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"sha512-6XQFvXTkbfUOZOKKILFG1PDK2NDQs4azKQl26T0YS5CxqWLgXajbPZ+h4gZekJyRqFU8pvnbAbbs/3TgRPy+GQ==", + "version": "8.18.0", + "resolved": "https://registry.npmjs.org/ws/-/ws-8.18.0.tgz", + "integrity": "sha512-8VbfWfHLbbwu3+N6OKsOMpBdT4kXPDDB9cJk2bJ6mh9ucxdlnNvH1e+roYkKmN9Nxw2yjz7VzeO9oOz2zJ04Pw==", "dev": true, "engines": { "node": ">=10.0.0" diff --git a/package.json b/package.json index eab7bb1a..308cc000 100644 --- a/package.json +++ b/package.json @@ -48,6 +48,8 @@ "dependencies": { "iobuffer": "^5.3.1", "netcdfjs": "^3.0.0", + "npm": "^10.8.1", + "nvm": "^0.0.4", "pako": "^2.1.0", "upng-js": "^2.1.0" }, diff --git a/src/GLModel.ts b/src/GLModel.ts index 1c92912c..af3152f8 100644 --- a/src/GLModel.ts +++ b/src/GLModel.ts @@ -2836,7 +2836,7 @@ export class GLModel { console.log("Unknown format: " + format); // try to guess correct format from data contents if (data instanceof Uint8Array) { - format = "mmtf"; //currently only supported binary format? + format = "bcif"; //mmtf deprecated so go with bcif } else if ((data as string).match(/^@MOLECULE/gm)) { format = "mol2"; } else if ((data as string).match(/^data_/gm) && (data as string).match(/^loop_/gm)) { diff --git a/src/parsers/BCIF.ts b/src/parsers/BCIF.ts index 85475c4f..3849c1fa 100644 --- a/src/parsers/BCIF.ts +++ b/src/parsers/BCIF.ts @@ -13,6 +13,145 @@ import { isEmpty } from "./utils/isEmpty"; declare var MMTF: MMTFobj; +class Connectivity { + C: Record>> = {}; + + constructor(comp_bond) { + if (comp_bond) { + let ids = comp_bond.getField('comp_id'); + let a1s = comp_bond.getField('atom_id_1'); + let a2s = comp_bond.getField('atom_id_2'); + let orders = comp_bond.getField('value_order'); + + for (let i = 0; i < ids.length; i++) { + let resn = ids[i]; + let a1 = a1s[i]; + let a2 = a2s[i]; + let oname = orders[i]; + let o = 1; + if (oname == 'doub') o = 2; + else if (oname == 'trip') o = 3; + + if (this.C[resn] == undefined) { + this.C[resn] = {}; + } + if (this.C[resn][a1] == undefined) { + this.C[resn][a1] = {}; + } + if (this.C[resn][a2] == undefined) { + this.C[resn][a2] = {}; + } + this.C[resn][a1][a2] = o; + this.C[resn][a2][a1] = o; + } + } + } + + //returns bond order, zero if not connected + order(resn: string, atom1: string, atom2: string): number { + if (this.C[resn] !== undefined) { + if (this.C[resn][atom1] !== undefined) { + if (this.C[resn][atom1][atom2] !== undefined) { + return this.C[resn][atom1][atom2]; + } + } + } + return 0; + } +} + +/* Class for recording inter-component connectivity */ +class StructConn { + public C: [[string,number,string,string],[string,number,string,string],number][] = []; //chain,resi,resn,atomn + + constructor(struct_conn) { + if(struct_conn) { + //have no idea what the deal with with ptnr3.. + let types = struct_conn.getField('conn_type_id'); + let chain1 = struct_conn.getField('ptnr1_label_asym_id'); + let resi1 = struct_conn.getField('ptnr1_label_seq_id'); + let resn1 = struct_conn.getField('ptnr1_label_comp_id'); + let a1 = struct_conn.getField('ptnr1_label_atom_id'); + let chain2 = struct_conn.getField('ptnr2_label_asym_id'); + let resi2 = struct_conn.getField('ptnr2_label_seq_id'); + let resn2 = struct_conn.getField('ptnr2_label_comp_id'); + let a2 = struct_conn.getField('ptnr2_label_atom_id'); + let bo = struct_conn.getField('pdbx_value_order'); + + for(let i = 0; i < types.length; i++) { + if(types[i] == 'disulf' || types[i] == 'covale') { //metal too? + let o = bo ? (bo[i] == "" ? 1: parseInt(bo[i])) : 1; + this.C.push([[chain1[i],resi1[i],resn1[i],a1[i]],[chain2[i],resi2[i],resn2[i],a2[i]],o]); + } + } + + } + } +} + +/* group atoms by chain/resid */ +class Residues { + R: Record>>> = {}; //chain, resid, resn (redundant), atom list + constructor() { + + } + + add(a: AtomSpec) { + if (this.R[a.lchain] == undefined) this.R[a.lchain] = {}; + if (this.R[a.lchain][a.lresi] == undefined) this.R[a.lchain][a.lresi] = {}; + if (this.R[a.lchain][a.lresi][a.lresn] == undefined) this.R[a.lchain][a.lresi][a.lresn] = []; + this.R[a.lchain][a.lresi][a.lresn].push(a); + this.R[a.lchain][a.lresi][a.lresn][a.atom] = a; //look up by atom name + } + + private geta([ch,resi,resn,aname]: [string,number,string,string]) { + if(this.R[ch] !== undefined && + this.R[ch][resi] !== undefined && + this.R[ch][resi][resn] !== undefined) { + return this.R[ch][resi][resn][aname]; + } + return undefined; + } + + setBonds(C: Connectivity, SC: StructConn) { + for(let ch in this.R) { + for(let resi in this.R[ch]) { + for(let resn in this.R[ch][resi]) { + let atoms = this.R[ch][resi][resn]; + for(let i = 0; i < atoms.length; i++) { + for(let j = i+1; j < atoms.length; j++) { + let a1 = atoms[i]; + let a2 = atoms[j]; + let bo = C.order(resn,a1.atom,a2.atom); + if(bo > 0) { + a1.bonds.push(a2.index); + a2.bonds.push(a1.index); + a1.bondOrder.push(bo); + a2.bondOrder.push(bo); + } + } + } + } + } + } + + for(let conn of SC.C) { + let a1 = conn[0]; + let a2 = conn[1]; + let bo = conn[2]; + let atom1 = this.geta(a1); + let atom2 = this.geta(a2); + if(atom1 != undefined && atom2 != undefined) { + atom1.bonds.push(atom2.index); + atom2.bonds.push(atom1.index); + atom1.bondOrder.push(bo); + atom2.bondOrder.push(bo); + } + } + + } +} + /** * @param bindata - binary UInt8Array buffer or a base64 encoded string @@ -22,7 +161,7 @@ declare var MMTF: MMTFobj; export function BCIF(bindata: any, options: ParserOptionsSpec) { var noH = !options.keepH; // suppress hydrogens by default - //var selAltLoc = options.altLoc ? options.altLoc : 'A'; //default alternate location to select if present + var selAltLoc = options.altLoc ? options.altLoc : 'A'; //default alternate location to select if present var computeStruct = !options.noComputeSecondaryStructure; //var assemblyIndex = options.assemblyIndex ? options.assemblyIndex : 0; const noAssembly = !options.doAssembly; // don't assemble by default @@ -59,10 +198,10 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { - //loop over models, + //loop over models for (let m = 0; m < numModels; m++) { - - const serialToIndex: number[] = []; // map from pdb serial to index in atoms + let startm = atoms.length; + const serialToIndex: [number, number][] = []; // map from pdb serial to index in atoms modelData.push({ symmetries: [] }); atoms.push([]); @@ -158,8 +297,13 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { modelData[modelData.length - 1].symmetries.push(matrix); } } - //atom info + //extract connectivity information + let connect = new Connectivity(cats.chem_comp_bond); + let residues = new Residues(); + let sconnect = new StructConn(cats.struct_conn); + + //atom info let asites = cats.atom_site; let atomCount = asites.rowCount; let group_pdb = asites.getField('group_PDB') @@ -192,7 +336,10 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { if (options.multimodel) { if (!options.onemol) { atoms.push([]); - modelData.push(modelData[modelData.length-1]); + modelData.push(modelData[modelData.length - 1]); + curmodel = modelnums[i]; + residues.setBonds(connect, sconnect); + residues = new Residues(); } } else { break; //first model only @@ -225,6 +372,7 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { : label_comp_id ? label_comp_id[i].trim() : undefined; + atom.lresn = label_comp_id ? label_comp_id[i].trim() : undefined; atom.atom = auth_atom_id ? auth_atom_id[i].replace(/"/gm, "") : label_atom_id @@ -232,6 +380,7 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { : undefined; //"primed" names are in quotes atom.icode = icodes ? icodes[i] : undefined; + atom.altLoc = atom.icode; atom.hetflag = !group_pdb || group_pdb[i] === "HETA" || @@ -244,32 +393,41 @@ export function BCIF(bindata: any, options: ParserOptionsSpec) { atom.elem = elem[0].toUpperCase() + elem.substring(1, 2).toLowerCase(); if (bfactors) atom.b = bfactors[i]; - if(noH && atom.elem == 'H') { + if (noH && atom.elem == 'H') { + continue; + } + if (atom.altLoc != '' && atom.altLoc != selAltLoc && selAltLoc != '*') { continue; } atom.bonds = []; atom.ss = "c"; atom.serial = serials[i]; - serialToIndex[atom.serial] = i; + atom.model = curmodel; atom.bondOrder = []; atom.properties = {}; + atom.index = atoms[atoms.length - 1].length; + serialToIndex[atom.serial] = [atoms.length, atom.index]; atoms[atoms.length - 1].push(atom); - } + residues.add(atom); + } + residues.setBonds(connect, sconnect); // Assign secondary structures from pdb file if (!isEmpty(sslookup)) { - let matoms = atoms[atoms.length - 1]; - for (let i = 0; i < matoms.length; i++) { - const atom = matoms[i]; - if (atom === undefined) continue; - if (atom.lchain in sslookup && atom.lresi in sslookup[atom.lchain]) { - const code = sslookup[atom.lchain][atom.lresi]; - atom.ss = code[0]; - if (code.length > 1) { - if (code[1] == "1") atom.ssbegin = true; - else if (code[1] == "2") atom.ssend = true; + for (let mi = startm; mi < atoms.length; mi++) { + let matoms = atoms[mi]; + for (let i = 0; i < matoms.length; i++) { + const atom = matoms[i]; + if (atom === undefined) continue; + if (atom.lchain in sslookup && atom.lresi in sslookup[atom.lchain]) { + const code = sslookup[atom.lchain][atom.lresi]; + atom.ss = code[0]; + if (code.length > 1) { + if (code[1] == "1") atom.ssbegin = true; + else if (code[1] == "2") atom.ssend = true; + } } } } diff --git a/src/parsers/CIF.ts b/src/parsers/CIF.ts index 2416fcb7..81c77a4d 100644 --- a/src/parsers/CIF.ts +++ b/src/parsers/CIF.ts @@ -279,6 +279,9 @@ export function CIF(str: string, options: ParserOptionsSpec = {}) { !mmCIF._atom_site_group_pdb || mmCIF._atom_site_group_pdb[i] === "HETA" || mmCIF._atom_site_group_pdb[i] === "HETATM"; + if(mmCIF._atom_site_b_iso_or_equiv ) { + atom.b = parseFloat(mmCIF._atom_site_b_iso_or_equiv[i]); + } let elem = "X"; if (mmCIF._atom_site_type_symbol) { elem = mmCIF._atom_site_type_symbol[i].replace(/\(?\+?\d+.*/, ""); diff --git a/src/parsers/VASP.ts b/src/parsers/VASP.ts index e4fc7312..c76ace5f 100644 --- a/src/parsers/VASP.ts +++ b/src/parsers/VASP.ts @@ -1,6 +1,8 @@ + import { Matrix3 } from "../WebGL"; import { assignBonds } from "./utils/assignBonds"; +import { ParserOptionsSpec } from "./ParserOptionsSpec"; /** * @param {string} @@ -10,9 +12,11 @@ import { assignBonds } from "./utils/assignBonds"; * @category Parsers */ -export function VASP(str: string, options?) { +export function VASP(str: string, options: ParserOptionsSpec = {}) { var atoms: any[][] & Record = [[]]; var lattice: Record = {}; + const assignbonds = + options.assignBonds === undefined ? true : options.assignBonds; var lines = str.replace(/^\s+/, "").split(/\r?\n/); @@ -62,9 +66,9 @@ export function VASP(str: string, options?) { (lines[6] as any).replace(/^\s+/, "").split(/\s+/) ); var vaspMode = lines[7].replace(/\s+/, ""); - + var selective = false - if (vaspMode.match(/S/)){ + if (vaspMode.match(/S/)) { selective = true vaspMode = lines[8].replace(/\s+/, ""); } @@ -87,13 +91,13 @@ export function VASP(str: string, options?) { return atoms; } - if (selective){ + if (selective) { lines.splice(0, 9); } - else{ + else { lines.splice(0, 8); } - + var atomCounter = 0; for (var i = 0, len = atomSymbols.length; i < len; i++) { @@ -135,9 +139,10 @@ export function VASP(str: string, options?) { atomCounter += atomSpeciesNumber[i]; } - for (let i = 0; i < atoms.length; i++) { - assignBonds(atoms[i], options); + if (assignbonds) { + for (let i = 0; i < atoms.length; i++) { + assignBonds(atoms[i], options); + } } - return atoms; } diff --git a/src/parsers/utils/areConnected.ts b/src/parsers/utils/areConnected.ts index 21f611c7..5514382d 100644 --- a/src/parsers/utils/areConnected.ts +++ b/src/parsers/utils/areConnected.ts @@ -31,7 +31,7 @@ export function areConnected(atom1: AtomSpec, atom2: AtomSpec, options: ParserOp isNaN(distSquared) || distSquared < 0.5 || distSquared > maxsq || - (atom1.altLoc !== atom2.altLoc && atom1.altLoc !== " " && atom2.altLoc !== " ") + (atom1.altLoc !== atom2.altLoc && atom1.altLoc.trim() !== "" && atom2.altLoc.trim() !== "") ) return false; diff --git a/src/specs.ts b/src/specs.ts index 32c18f0d..05a2a440 100644 --- a/src/specs.ts +++ b/src/specs.ts @@ -12,6 +12,8 @@ import { ColorSpec } from "./colors"; export interface AtomSpec { /** Parent residue name */ resn?: string; + /** Residue label name */ + lresn?: string; /** Atom's x coordinate */ x?: number; /** Atom's y coordinate */ diff --git a/src/utilities.ts b/src/utilities.ts index 2627653d..da1cc70e 100644 --- a/src/utilities.ts +++ b/src/utilities.ts @@ -442,7 +442,7 @@ export function download(query, viewer, options, callback?) { } else { if (query.substring(0, 4) === 'pdb:') { - type = 'pdb'; + type = 'bcif'; if (options && options.format) { type = options.format; //can override and require pdb } diff --git a/tests/auto/data/1wav.cif b/tests/auto/data/1wav.cif new file mode 100644 index 00000000..41e1b4c7 --- /dev/null +++ b/tests/auto/data/1wav.cif @@ -0,0 +1,4951 @@ +data_1WAV +# +_entry.id 1WAV +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.393 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1WAV pdb_00001wav 10.2210/pdb1wav/pdb +WWPDB D_1000177170 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1997-02-28 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2024-06-05 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Data collection' +4 4 'Structure model' 'Database references' +5 4 'Structure model' 'Derived calculations' +6 4 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' chem_comp_atom +2 4 'Structure model' chem_comp_bond +3 4 'Structure model' database_2 +4 4 'Structure model' pdbx_database_status +5 4 'Structure model' pdbx_struct_conn_angle +6 4 'Structure model' struct_conn +7 4 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_database_status.process_site' +4 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_asym_id' +5 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id' +6 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' +7 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id' +8 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id' +9 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id' +10 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id' +11 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id' +12 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' +13 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +14 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' +15 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' +16 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' +17 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' +18 4 'Structure model' '_pdbx_struct_conn_angle.value' +19 4 'Structure model' '_struct_conn.pdbx_dist_value' +20 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' +21 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' +22 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' +23 4 'Structure model' '_struct_conn.ptnr1_label_atom_id' +24 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' +25 4 'Structure model' '_struct_conn.ptnr1_label_seq_id' +26 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' +27 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' +28 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +29 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' +30 4 'Structure model' '_struct_conn.ptnr2_label_atom_id' +31 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' +32 4 'Structure model' '_struct_conn.ptnr2_label_seq_id' +33 4 'Structure model' '_struct_site.pdbx_auth_asym_id' +34 4 'Structure model' '_struct_site.pdbx_auth_comp_id' +35 4 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1WAV +_pdbx_database_status.recvd_initial_deposition_date 1996-02-28 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Liang, D.-C.' 1 +'Ding, J.-H.' 2 +'Chang, W.-R.' 3 +'Wan, Z.-L.' 4 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Molecular replacement study on form-B monoclinic crystal of insulin.' 'Sci.China, Ser.C: Life Sci.' 39 +144 153 1996 SCCLFO CN 1006-9305 2227 ? 8760462 ? +1 'Phase Relationship in Phenol-Insulin Crystal Growth System' Sci.China,Ser.B 37 +948 ? 1994 SCBSE5 CN 1001-652X 1123 ? ? ? +2 'Preliminary Crystallographic Studies on a New Monoclinic Crystal Form of Phenol-Insulin' Chin.Sci.Bull. 38 +1480 ? 1993 CSBUEF CC 1001-6538 2071 ? ? ? +3 'Crystal Structure Determination of 4-Zinc Bovine Insulin at 1.9 A Resolution' Sci.China,Ser.B 32 +1308 ? 1989 SCBSE5 CN 1001-652X 1123 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ding, J.' 1 ? +primary 'Wan, Z.' 2 ? +primary 'Chang, W.' 3 ? +primary 'Liang, D.' 4 ? +1 'Liang, D.-C.' 5 ? +1 'Song, L.-Z.' 6 ? +1 'Wan, Z.-L.' 7 ? +1 'Chang, W.-R.' 8 ? +2 'Song, L.-Z.' 9 ? +2 'Wan, Z.-L.' 10 ? +2 'Chang, W.-R.' 11 ? +2 'Liang, D.-C.' 12 ? +3 'Li, M.' 13 ? +3 'Wang, D.C.' 14 ? +3 'Liang, D.C.' 15 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer nat INSULIN 2383.698 6 ? ? ? ? +2 polymer nat INSULIN 3403.927 6 ? ? ? ? +3 non-polymer syn PHENOL 94.111 6 ? ? ? ? +4 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? +5 water nat water 18.015 112 ? ? ? ? +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no GIVEQCCTSICSLYQLENYCN GIVEQCCTSICSLYQLENYCN A,C,E,G,I,K ? +2 'polypeptide(L)' no no FVNQHLCGSHLVEALYLVCGERGFFYTPKA FVNQHLCGSHLVEALYLVCGERGFFYTPKA B,D,F,H,J,L ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 PHENOL IPH +4 'ZINC ION' ZN +5 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ILE n +1 3 VAL n +1 4 GLU n +1 5 GLN n +1 6 CYS n +1 7 CYS n +1 8 THR n +1 9 SER n +1 10 ILE n +1 11 CYS n +1 12 SER n +1 13 LEU n +1 14 TYR n +1 15 GLN n +1 16 LEU n +1 17 GLU n +1 18 ASN n +1 19 TYR n +1 20 CYS n +1 21 ASN n +2 1 PHE n +2 2 VAL n +2 3 ASN n +2 4 GLN n +2 5 HIS n +2 6 LEU n +2 7 CYS n +2 8 GLY n +2 9 SER n +2 10 HIS n +2 11 LEU n +2 12 VAL n +2 13 GLU n +2 14 ALA n +2 15 LEU n +2 16 TYR n +2 17 LEU n +2 18 VAL n +2 19 CYS n +2 20 GLY n +2 21 GLU n +2 22 ARG n +2 23 GLY n +2 24 PHE n +2 25 PHE n +2 26 TYR n +2 27 THR n +2 28 PRO n +2 29 LYS n +2 30 ALA n +# +loop_ +_entity_src_nat.entity_id +_entity_src_nat.pdbx_src_id +_entity_src_nat.pdbx_alt_source_flag +_entity_src_nat.pdbx_beg_seq_num +_entity_src_nat.pdbx_end_seq_num +_entity_src_nat.common_name +_entity_src_nat.pdbx_organism_scientific +_entity_src_nat.pdbx_ncbi_taxonomy_id +_entity_src_nat.genus +_entity_src_nat.species +_entity_src_nat.strain +_entity_src_nat.tissue +_entity_src_nat.tissue_fraction +_entity_src_nat.pdbx_secretion +_entity_src_nat.pdbx_fragment +_entity_src_nat.pdbx_variant +_entity_src_nat.pdbx_cell_line +_entity_src_nat.pdbx_atcc +_entity_src_nat.pdbx_cellular_location +_entity_src_nat.pdbx_organ +_entity_src_nat.pdbx_organelle +_entity_src_nat.pdbx_cell +_entity_src_nat.pdbx_plasmid_name +_entity_src_nat.pdbx_plasmid_details +_entity_src_nat.details +1 1 sample ? ? pig 'Sus scrofa' 9823 Sus ? ? PANCREAS ? ? ? ? ? ? ? ? ? ? ? ? ? +2 1 sample ? ? pig 'Sus scrofa' 9823 Sus ? ? PANCREAS ? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +IPH non-polymer . PHENOL ? 'C6 H6 O' 94.111 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ILE 2 2 2 ILE ILE A . n +A 1 3 VAL 3 3 3 VAL VAL A . n +A 1 4 GLU 4 4 4 GLU GLU A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 CYS 6 6 6 CYS CYS A . n +A 1 7 CYS 7 7 7 CYS CYS A . n +A 1 8 THR 8 8 8 THR THR A . n +A 1 9 SER 9 9 9 SER SER A . n +A 1 10 ILE 10 10 10 ILE ILE A . n +A 1 11 CYS 11 11 11 CYS CYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 LEU 13 13 13 LEU LEU A . n +A 1 14 TYR 14 14 14 TYR TYR A . n +A 1 15 GLN 15 15 15 GLN GLN A . n +A 1 16 LEU 16 16 16 LEU LEU A . n +A 1 17 GLU 17 17 17 GLU GLU A . n +A 1 18 ASN 18 18 18 ASN ASN A . n +A 1 19 TYR 19 19 19 TYR TYR A . n +A 1 20 CYS 20 20 20 CYS CYS A . n +A 1 21 ASN 21 21 21 ASN ASN A . n +B 2 1 PHE 1 1 1 PHE PHE B . n +B 2 2 VAL 2 2 2 VAL VAL B . n +B 2 3 ASN 3 3 3 ASN ASN B . n +B 2 4 GLN 4 4 4 GLN GLN B . n +B 2 5 HIS 5 5 5 HIS HIS B . n +B 2 6 LEU 6 6 6 LEU LEU B . n +B 2 7 CYS 7 7 7 CYS CYS B . n +B 2 8 GLY 8 8 8 GLY GLY B . n +B 2 9 SER 9 9 9 SER SER B . n +B 2 10 HIS 10 10 10 HIS HIS B . n +B 2 11 LEU 11 11 11 LEU LEU B . n +B 2 12 VAL 12 12 12 VAL VAL B . n +B 2 13 GLU 13 13 13 GLU GLU B . n +B 2 14 ALA 14 14 14 ALA ALA B . n +B 2 15 LEU 15 15 15 LEU LEU B . n +B 2 16 TYR 16 16 16 TYR TYR B . n +B 2 17 LEU 17 17 17 LEU LEU B . n +B 2 18 VAL 18 18 18 VAL VAL B . n +B 2 19 CYS 19 19 19 CYS CYS B . n +B 2 20 GLY 20 20 20 GLY GLY B . n +B 2 21 GLU 21 21 21 GLU GLU B . n +B 2 22 ARG 22 22 22 ARG ARG B . n +B 2 23 GLY 23 23 23 GLY GLY B . n +B 2 24 PHE 24 24 24 PHE PHE B . n +B 2 25 PHE 25 25 25 PHE PHE B . n +B 2 26 TYR 26 26 26 TYR TYR B . n +B 2 27 THR 27 27 27 THR THR B . n +B 2 28 PRO 28 28 28 PRO PRO B . n +B 2 29 LYS 29 29 29 LYS LYS B . n +B 2 30 ALA 30 30 30 ALA ALA B . n +C 1 1 GLY 1 1 1 GLY GLY C . n +C 1 2 ILE 2 2 2 ILE ILE C . n +C 1 3 VAL 3 3 3 VAL VAL C . n +C 1 4 GLU 4 4 4 GLU GLU C . n +C 1 5 GLN 5 5 5 GLN GLN C . n +C 1 6 CYS 6 6 6 CYS CYS C . n +C 1 7 CYS 7 7 7 CYS CYS C . n +C 1 8 THR 8 8 8 THR THR C . n +C 1 9 SER 9 9 9 SER SER C . n +C 1 10 ILE 10 10 10 ILE ILE C . n +C 1 11 CYS 11 11 11 CYS CYS C . n +C 1 12 SER 12 12 12 SER SER C . n +C 1 13 LEU 13 13 13 LEU LEU C . n +C 1 14 TYR 14 14 14 TYR TYR C . n +C 1 15 GLN 15 15 15 GLN GLN C . n +C 1 16 LEU 16 16 16 LEU LEU C . n +C 1 17 GLU 17 17 17 GLU GLU C . n +C 1 18 ASN 18 18 18 ASN ASN C . n +C 1 19 TYR 19 19 19 TYR TYR C . n +C 1 20 CYS 20 20 20 CYS CYS C . n +C 1 21 ASN 21 21 21 ASN ASN C . n +D 2 1 PHE 1 1 1 PHE PHE D . n +D 2 2 VAL 2 2 2 VAL VAL D . n +D 2 3 ASN 3 3 3 ASN ASN D . n +D 2 4 GLN 4 4 4 GLN GLN D . n +D 2 5 HIS 5 5 5 HIS HIS D . n +D 2 6 LEU 6 6 6 LEU LEU D . n +D 2 7 CYS 7 7 7 CYS CYS D . n +D 2 8 GLY 8 8 8 GLY GLY D . n +D 2 9 SER 9 9 9 SER SER D . n +D 2 10 HIS 10 10 10 HIS HIS D . n +D 2 11 LEU 11 11 11 LEU LEU D . n +D 2 12 VAL 12 12 12 VAL VAL D . n +D 2 13 GLU 13 13 13 GLU GLU D . n +D 2 14 ALA 14 14 14 ALA ALA D . n +D 2 15 LEU 15 15 15 LEU LEU D . n +D 2 16 TYR 16 16 16 TYR TYR D . n +D 2 17 LEU 17 17 17 LEU LEU D . n +D 2 18 VAL 18 18 18 VAL VAL D . n +D 2 19 CYS 19 19 19 CYS CYS D . n +D 2 20 GLY 20 20 20 GLY GLY D . n +D 2 21 GLU 21 21 21 GLU GLU D . n +D 2 22 ARG 22 22 22 ARG ARG D . n +D 2 23 GLY 23 23 23 GLY GLY D . n +D 2 24 PHE 24 24 24 PHE PHE D . n +D 2 25 PHE 25 25 25 PHE PHE D . n +D 2 26 TYR 26 26 26 TYR TYR D . n +D 2 27 THR 27 27 27 THR THR D . n +D 2 28 PRO 28 28 28 PRO PRO D . n +D 2 29 LYS 29 29 29 LYS LYS D . n +D 2 30 ALA 30 30 30 ALA ALA D . n +E 1 1 GLY 1 1 1 GLY GLY E . n +E 1 2 ILE 2 2 2 ILE ILE E . n +E 1 3 VAL 3 3 3 VAL VAL E . n +E 1 4 GLU 4 4 4 GLU GLU E . n +E 1 5 GLN 5 5 5 GLN GLN E . n +E 1 6 CYS 6 6 6 CYS CYS E . n +E 1 7 CYS 7 7 7 CYS CYS E . n +E 1 8 THR 8 8 8 THR THR E . n +E 1 9 SER 9 9 9 SER SER E . n +E 1 10 ILE 10 10 10 ILE ILE E . n +E 1 11 CYS 11 11 11 CYS CYS E . n +E 1 12 SER 12 12 12 SER SER E . n +E 1 13 LEU 13 13 13 LEU LEU E . n +E 1 14 TYR 14 14 14 TYR TYR E . n +E 1 15 GLN 15 15 15 GLN GLN E . n +E 1 16 LEU 16 16 16 LEU LEU E . n +E 1 17 GLU 17 17 17 GLU GLU E . n +E 1 18 ASN 18 18 18 ASN ASN E . n +E 1 19 TYR 19 19 19 TYR TYR E . n +E 1 20 CYS 20 20 20 CYS CYS E . n +E 1 21 ASN 21 21 21 ASN ASN E . n +F 2 1 PHE 1 1 1 PHE PHE F . n +F 2 2 VAL 2 2 2 VAL VAL F . n +F 2 3 ASN 3 3 3 ASN ASN F . n +F 2 4 GLN 4 4 4 GLN GLN F . n +F 2 5 HIS 5 5 5 HIS HIS F . n +F 2 6 LEU 6 6 6 LEU LEU F . n +F 2 7 CYS 7 7 7 CYS CYS F . n +F 2 8 GLY 8 8 8 GLY GLY F . n +F 2 9 SER 9 9 9 SER SER F . n +F 2 10 HIS 10 10 10 HIS HIS F . n +F 2 11 LEU 11 11 11 LEU LEU F . n +F 2 12 VAL 12 12 12 VAL VAL F . n +F 2 13 GLU 13 13 13 GLU GLU F . n +F 2 14 ALA 14 14 14 ALA ALA F . n +F 2 15 LEU 15 15 15 LEU LEU F . n +F 2 16 TYR 16 16 16 TYR TYR F . n +F 2 17 LEU 17 17 17 LEU LEU F . n +F 2 18 VAL 18 18 18 VAL VAL F . n +F 2 19 CYS 19 19 19 CYS CYS F . n +F 2 20 GLY 20 20 20 GLY GLY F . n +F 2 21 GLU 21 21 21 GLU GLU F . n +F 2 22 ARG 22 22 22 ARG ARG F . n +F 2 23 GLY 23 23 23 GLY GLY F . n +F 2 24 PHE 24 24 24 PHE PHE F . n +F 2 25 PHE 25 25 25 PHE PHE F . n +F 2 26 TYR 26 26 26 TYR TYR F . n +F 2 27 THR 27 27 27 THR THR F . n +F 2 28 PRO 28 28 28 PRO PRO F . n +F 2 29 LYS 29 29 29 LYS LYS F . n +F 2 30 ALA 30 30 30 ALA ALA F . n +G 1 1 GLY 1 1 1 GLY GLY G . n +G 1 2 ILE 2 2 2 ILE ILE G . n +G 1 3 VAL 3 3 3 VAL VAL G . n +G 1 4 GLU 4 4 4 GLU GLU G . n +G 1 5 GLN 5 5 5 GLN GLN G . n +G 1 6 CYS 6 6 6 CYS CYS G . n +G 1 7 CYS 7 7 7 CYS CYS G . n +G 1 8 THR 8 8 8 THR THR G . n +G 1 9 SER 9 9 9 SER SER G . n +G 1 10 ILE 10 10 10 ILE ILE G . n +G 1 11 CYS 11 11 11 CYS CYS G . n +G 1 12 SER 12 12 12 SER SER G . n +G 1 13 LEU 13 13 13 LEU LEU G . n +G 1 14 TYR 14 14 14 TYR TYR G . n +G 1 15 GLN 15 15 15 GLN GLN G . n +G 1 16 LEU 16 16 16 LEU LEU G . n +G 1 17 GLU 17 17 17 GLU GLU G . n +G 1 18 ASN 18 18 18 ASN ASN G . n +G 1 19 TYR 19 19 19 TYR TYR G . n +G 1 20 CYS 20 20 20 CYS CYS G . n +G 1 21 ASN 21 21 21 ASN ASN G . n +H 2 1 PHE 1 1 1 PHE PHE H . n +H 2 2 VAL 2 2 2 VAL VAL H . n +H 2 3 ASN 3 3 3 ASN ASN H . n +H 2 4 GLN 4 4 4 GLN GLN H . n +H 2 5 HIS 5 5 5 HIS HIS H . n +H 2 6 LEU 6 6 6 LEU LEU H . n +H 2 7 CYS 7 7 7 CYS CYS H . n +H 2 8 GLY 8 8 8 GLY GLY H . n +H 2 9 SER 9 9 9 SER SER H . n +H 2 10 HIS 10 10 10 HIS HIS H . n +H 2 11 LEU 11 11 11 LEU LEU H . n +H 2 12 VAL 12 12 12 VAL VAL H . n +H 2 13 GLU 13 13 13 GLU GLU H . n +H 2 14 ALA 14 14 14 ALA ALA H . n +H 2 15 LEU 15 15 15 LEU LEU H . n +H 2 16 TYR 16 16 16 TYR TYR H . n +H 2 17 LEU 17 17 17 LEU LEU H . n +H 2 18 VAL 18 18 18 VAL VAL H . n +H 2 19 CYS 19 19 19 CYS CYS H . n +H 2 20 GLY 20 20 20 GLY GLY H . n +H 2 21 GLU 21 21 21 GLU GLU H . n +H 2 22 ARG 22 22 22 ARG ARG H . n +H 2 23 GLY 23 23 23 GLY GLY H . n +H 2 24 PHE 24 24 24 PHE PHE H . n +H 2 25 PHE 25 25 25 PHE PHE H . n +H 2 26 TYR 26 26 26 TYR TYR H . n +H 2 27 THR 27 27 27 THR THR H . n +H 2 28 PRO 28 28 28 PRO PRO H . n +H 2 29 LYS 29 29 29 LYS LYS H . n +H 2 30 ALA 30 30 30 ALA ALA H . n +I 1 1 GLY 1 1 1 GLY GLY I . n +I 1 2 ILE 2 2 2 ILE ILE I . n +I 1 3 VAL 3 3 3 VAL VAL I . n +I 1 4 GLU 4 4 4 GLU GLU I . n +I 1 5 GLN 5 5 5 GLN GLN I . n +I 1 6 CYS 6 6 6 CYS CYS I . n +I 1 7 CYS 7 7 7 CYS CYS I . n +I 1 8 THR 8 8 8 THR THR I . n +I 1 9 SER 9 9 9 SER SER I . n +I 1 10 ILE 10 10 10 ILE ILE I . n +I 1 11 CYS 11 11 11 CYS CYS I . n +I 1 12 SER 12 12 12 SER SER I . n +I 1 13 LEU 13 13 13 LEU LEU I . n +I 1 14 TYR 14 14 14 TYR TYR I . n +I 1 15 GLN 15 15 15 GLN GLN I . n +I 1 16 LEU 16 16 16 LEU LEU I . n +I 1 17 GLU 17 17 17 GLU GLU I . n +I 1 18 ASN 18 18 18 ASN ASN I . n +I 1 19 TYR 19 19 19 TYR TYR I . n +I 1 20 CYS 20 20 20 CYS CYS I . n +I 1 21 ASN 21 21 21 ASN ASN I . n +J 2 1 PHE 1 1 1 PHE PHE J . n +J 2 2 VAL 2 2 2 VAL VAL J . n +J 2 3 ASN 3 3 3 ASN ASN J . n +J 2 4 GLN 4 4 4 GLN GLN J . n +J 2 5 HIS 5 5 5 HIS HIS J . n +J 2 6 LEU 6 6 6 LEU LEU J . n +J 2 7 CYS 7 7 7 CYS CYS J . n +J 2 8 GLY 8 8 8 GLY GLY J . n +J 2 9 SER 9 9 9 SER SER J . n +J 2 10 HIS 10 10 10 HIS HIS J . n +J 2 11 LEU 11 11 11 LEU LEU J . n +J 2 12 VAL 12 12 12 VAL VAL J . n +J 2 13 GLU 13 13 13 GLU GLU J . n +J 2 14 ALA 14 14 14 ALA ALA J . n +J 2 15 LEU 15 15 15 LEU LEU J . n +J 2 16 TYR 16 16 16 TYR TYR J . n +J 2 17 LEU 17 17 17 LEU LEU J . n +J 2 18 VAL 18 18 18 VAL VAL J . n +J 2 19 CYS 19 19 19 CYS CYS J . n +J 2 20 GLY 20 20 20 GLY GLY J . n +J 2 21 GLU 21 21 21 GLU GLU J . n +J 2 22 ARG 22 22 22 ARG ARG J . n +J 2 23 GLY 23 23 23 GLY GLY J . n +J 2 24 PHE 24 24 24 PHE PHE J . n +J 2 25 PHE 25 25 25 PHE PHE J . n +J 2 26 TYR 26 26 26 TYR TYR J . n +J 2 27 THR 27 27 27 THR THR J . n +J 2 28 PRO 28 28 28 PRO PRO J . n +J 2 29 LYS 29 29 29 LYS LYS J . n +J 2 30 ALA 30 30 30 ALA ALA J . n +K 1 1 GLY 1 1 1 GLY GLY K . n +K 1 2 ILE 2 2 2 ILE ILE K . n +K 1 3 VAL 3 3 3 VAL VAL K . n +K 1 4 GLU 4 4 4 GLU GLU K . n +K 1 5 GLN 5 5 5 GLN GLN K . n +K 1 6 CYS 6 6 6 CYS CYS K . n +K 1 7 CYS 7 7 7 CYS CYS K . n +K 1 8 THR 8 8 8 THR THR K . n +K 1 9 SER 9 9 9 SER SER K . n +K 1 10 ILE 10 10 10 ILE ILE K . n +K 1 11 CYS 11 11 11 CYS CYS K . n +K 1 12 SER 12 12 12 SER SER K . n +K 1 13 LEU 13 13 13 LEU LEU K . n +K 1 14 TYR 14 14 14 TYR TYR K . n +K 1 15 GLN 15 15 15 GLN GLN K . n +K 1 16 LEU 16 16 16 LEU LEU K . n +K 1 17 GLU 17 17 17 GLU GLU K . n +K 1 18 ASN 18 18 18 ASN ASN K . n +K 1 19 TYR 19 19 19 TYR TYR K . n +K 1 20 CYS 20 20 20 CYS CYS K . n +K 1 21 ASN 21 21 21 ASN ASN K . n +L 2 1 PHE 1 1 1 PHE PHE L . n +L 2 2 VAL 2 2 2 VAL VAL L . n +L 2 3 ASN 3 3 3 ASN ASN L . n +L 2 4 GLN 4 4 4 GLN GLN L . n +L 2 5 HIS 5 5 5 HIS HIS L . n +L 2 6 LEU 6 6 6 LEU LEU L . n +L 2 7 CYS 7 7 7 CYS CYS L . n +L 2 8 GLY 8 8 8 GLY GLY L . n +L 2 9 SER 9 9 9 SER SER L . n +L 2 10 HIS 10 10 10 HIS HIS L . n +L 2 11 LEU 11 11 11 LEU LEU L . n +L 2 12 VAL 12 12 12 VAL VAL L . n +L 2 13 GLU 13 13 13 GLU GLU L . n +L 2 14 ALA 14 14 14 ALA ALA L . n +L 2 15 LEU 15 15 15 LEU LEU L . n +L 2 16 TYR 16 16 16 TYR TYR L . n +L 2 17 LEU 17 17 17 LEU LEU L . n +L 2 18 VAL 18 18 18 VAL VAL L . n +L 2 19 CYS 19 19 19 CYS CYS L . n +L 2 20 GLY 20 20 20 GLY GLY L . n +L 2 21 GLU 21 21 21 GLU GLU L . n +L 2 22 ARG 22 22 22 ARG ARG L . n +L 2 23 GLY 23 23 23 GLY GLY L . n +L 2 24 PHE 24 24 24 PHE PHE L . n +L 2 25 PHE 25 25 25 PHE PHE L . n +L 2 26 TYR 26 26 26 TYR TYR L . n +L 2 27 THR 27 27 27 THR THR L . n +L 2 28 PRO 28 28 28 PRO PRO L . n +L 2 29 LYS 29 29 29 LYS LYS L . n +L 2 30 ALA 30 30 30 ALA ALA L . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +M 3 IPH 1 22 1 IPH IPH A . +N 4 ZN 1 31 1 ZN ZN B . +O 3 IPH 1 22 2 IPH IPH C . +P 4 ZN 1 31 2 ZN ZN D . +Q 3 IPH 1 31 3 IPH IPH F . +R 3 IPH 1 22 4 IPH IPH G . +S 3 IPH 1 31 6 IPH IPH H . +T 3 IPH 1 31 5 IPH IPH J . +U 5 HOH 1 23 8 HOH HOH A . +U 5 HOH 2 24 9 HOH HOH A . +U 5 HOH 3 25 10 HOH HOH A . +U 5 HOH 4 26 11 HOH HOH A . +U 5 HOH 5 27 15 HOH HOH A . +U 5 HOH 6 28 17 HOH HOH A . +U 5 HOH 7 29 69 HOH HOH A . +U 5 HOH 8 30 72 HOH HOH A . +U 5 HOH 9 31 74 HOH HOH A . +U 5 HOH 10 32 75 HOH HOH A . +U 5 HOH 11 33 108 HOH HOH A . +U 5 HOH 12 34 111 HOH HOH A . +V 5 HOH 1 32 12 HOH HOH B . +V 5 HOH 2 33 13 HOH HOH B . +V 5 HOH 3 34 14 HOH HOH B . +V 5 HOH 4 35 76 HOH HOH B . +V 5 HOH 5 36 77 HOH HOH B . +V 5 HOH 6 37 78 HOH HOH B . +V 5 HOH 7 38 93 HOH HOH B . +V 5 HOH 8 39 112 HOH HOH B . +W 5 HOH 1 23 19 HOH HOH C . +W 5 HOH 2 24 20 HOH HOH C . +W 5 HOH 3 25 23 HOH HOH C . +W 5 HOH 4 26 25 HOH HOH C . +W 5 HOH 5 27 27 HOH HOH C . +W 5 HOH 6 28 79 HOH HOH C . +W 5 HOH 7 29 80 HOH HOH C . +W 5 HOH 8 30 114 HOH HOH C . +W 5 HOH 9 31 115 HOH HOH C . +X 5 HOH 1 32 16 HOH HOH D . +X 5 HOH 2 33 18 HOH HOH D . +X 5 HOH 3 34 24 HOH HOH D . +X 5 HOH 4 35 26 HOH HOH D . +X 5 HOH 5 36 28 HOH HOH D . +X 5 HOH 6 37 29 HOH HOH D . +X 5 HOH 7 38 95 HOH HOH D . +X 5 HOH 8 39 102 HOH HOH D . +X 5 HOH 9 40 103 HOH HOH D . +X 5 HOH 10 41 113 HOH HOH D . +Y 5 HOH 1 31 31 HOH HOH E . +Y 5 HOH 2 32 32 HOH HOH E . +Y 5 HOH 3 33 33 HOH HOH E . +Y 5 HOH 4 34 34 HOH HOH E . +Y 5 HOH 5 35 35 HOH HOH E . +Y 5 HOH 6 81 81 HOH HOH E . +Y 5 HOH 7 85 85 HOH HOH E . +Y 5 HOH 8 99 99 HOH HOH E . +Y 5 HOH 9 100 100 HOH HOH E . +Z 5 HOH 1 36 36 HOH HOH F . +Z 5 HOH 2 37 37 HOH HOH F . +Z 5 HOH 3 40 40 HOH HOH F . +Z 5 HOH 4 41 41 HOH HOH F . +Z 5 HOH 5 42 42 HOH HOH F . +Z 5 HOH 6 43 43 HOH HOH F . +Z 5 HOH 7 73 73 HOH HOH F . +Z 5 HOH 8 83 83 HOH HOH F . +Z 5 HOH 9 96 96 HOH HOH F . +Z 5 HOH 10 98 98 HOH HOH F . +Z 5 HOH 11 101 101 HOH HOH F . +Z 5 HOH 12 105 105 HOH HOH F . +Z 5 HOH 13 116 116 HOH HOH F . +Z 5 HOH 14 117 117 HOH HOH F . +Z 5 HOH 15 118 118 HOH HOH F . +AA 5 HOH 1 44 44 HOH HOH G . +AA 5 HOH 2 45 45 HOH HOH G . +AA 5 HOH 3 46 46 HOH HOH G . +AA 5 HOH 4 47 47 HOH HOH G . +AA 5 HOH 5 48 48 HOH HOH G . +AA 5 HOH 6 86 86 HOH HOH G . +BA 5 HOH 1 38 38 HOH HOH H . +BA 5 HOH 2 49 49 HOH HOH H . +BA 5 HOH 3 50 50 HOH HOH H . +BA 5 HOH 4 51 51 HOH HOH H . +BA 5 HOH 5 52 52 HOH HOH H . +BA 5 HOH 6 53 53 HOH HOH H . +BA 5 HOH 7 54 54 HOH HOH H . +BA 5 HOH 8 68 68 HOH HOH H . +BA 5 HOH 9 70 70 HOH HOH H . +BA 5 HOH 10 71 71 HOH HOH H . +BA 5 HOH 11 82 82 HOH HOH H . +BA 5 HOH 12 87 87 HOH HOH H . +BA 5 HOH 13 88 88 HOH HOH H . +CA 5 HOH 1 22 22 HOH HOH I . +CA 5 HOH 2 55 55 HOH HOH I . +CA 5 HOH 3 56 56 HOH HOH I . +CA 5 HOH 4 57 57 HOH HOH I . +CA 5 HOH 5 58 58 HOH HOH I . +CA 5 HOH 6 59 59 HOH HOH I . +CA 5 HOH 7 90 90 HOH HOH I . +CA 5 HOH 8 109 109 HOH HOH I . +DA 5 HOH 1 32 21 HOH HOH J . +DA 5 HOH 2 33 30 HOH HOH J . +DA 5 HOH 3 34 39 HOH HOH J . +DA 5 HOH 4 35 60 HOH HOH J . +DA 5 HOH 5 36 89 HOH HOH J . +DA 5 HOH 6 37 94 HOH HOH J . +DA 5 HOH 7 38 97 HOH HOH J . +DA 5 HOH 8 39 106 HOH HOH J . +DA 5 HOH 9 40 107 HOH HOH J . +DA 5 HOH 10 41 110 HOH HOH J . +EA 5 HOH 1 61 61 HOH HOH K . +EA 5 HOH 2 62 62 HOH HOH K . +EA 5 HOH 3 63 63 HOH HOH K . +EA 5 HOH 4 64 64 HOH HOH K . +EA 5 HOH 5 84 84 HOH HOH K . +EA 5 HOH 6 104 104 HOH HOH K . +FA 5 HOH 1 65 65 HOH HOH L . +FA 5 HOH 2 66 66 HOH HOH L . +FA 5 HOH 3 67 67 HOH HOH L . +FA 5 HOH 4 91 91 HOH HOH L . +FA 5 HOH 5 92 92 HOH HOH L . +FA 5 HOH 6 119 119 HOH HOH L . +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +WEIS 'data collection' . ? 1 +X-PLOR 'model building' 3.1 ? 2 +X-PLOR refinement 3.1 ? 3 +WEIS 'data reduction' . ? 4 +X-PLOR phasing 3.1 ? 5 +# +_cell.entry_id 1WAV +_cell.length_a 49.240 +_cell.length_b 60.940 +_cell.length_c 48.180 +_cell.angle_alpha 90.00 +_cell.angle_beta 95.80 +_cell.angle_gamma 90.00 +_cell.Z_PDB 12 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1WAV +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +# +_exptl.entry_id 1WAV +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.07 +_exptl_crystal.density_percent_sol 45. +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type ? +_diffrn_detector.pdbx_collection_date 1994-05 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.0 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'PHOTON FACTORY BEAMLINE BL-6A' +_diffrn_source.pdbx_synchrotron_site 'Photon Factory' +_diffrn_source.pdbx_synchrotron_beamline BL-6A +_diffrn_source.pdbx_wavelength 1.0 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.entry_id 1WAV +_reflns.observed_criterion_sigma_I 2.0 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 10.0 +_reflns.d_resolution_high 2.50 +_reflns.number_obs 11200 +_reflns.number_all ? +_reflns.percent_possible_obs 91. +_reflns.pdbx_Rmerge_I_obs 0.0625 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI ? +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy 4. +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_refine.entry_id 1WAV +_refine.ls_number_reflns_obs 11285 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0. +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 10. +_refine.ls_d_res_high 2.5 +_refine.ls_percent_reflns_obs 92. +_refine.ls_R_factor_obs 0.206 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.206 +_refine.ls_R_factor_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2418 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 8 +_refine_hist.number_atoms_solvent 119 +_refine_hist.number_atoms_total 2545 +_refine_hist.d_res_high 2.5 +_refine_hist.d_res_low 10. +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.020 ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg 3.858 ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +loop_ +_struct_ncs_oper.id +_struct_ncs_oper.code +_struct_ncs_oper.details +_struct_ncs_oper.matrix[1][1] +_struct_ncs_oper.matrix[1][2] +_struct_ncs_oper.matrix[1][3] +_struct_ncs_oper.matrix[2][1] +_struct_ncs_oper.matrix[2][2] +_struct_ncs_oper.matrix[2][3] +_struct_ncs_oper.matrix[3][1] +_struct_ncs_oper.matrix[3][2] +_struct_ncs_oper.matrix[3][3] +_struct_ncs_oper.vector[1] +_struct_ncs_oper.vector[2] +_struct_ncs_oper.vector[3] +1 given ? -0.042378 0.894002 -0.446055 0.282521 0.438957 0.852935 0.958325 -0.089875 -0.271176 16.62930 -14.77004 7.59824 +2 given ? -0.111306 0.210137 0.971315 0.870401 0.492297 -0.006763 -0.479597 0.844681 -0.237699 -2.48977 -9.23689 19.97110 +3 given ? -0.073613 0.910422 -0.407080 0.076187 0.412128 0.907935 0.994372 0.035821 -0.099700 15.65510 -15.77083 4.70136 +4 given ? -0.103506 0.446346 0.888854 0.959385 0.280588 -0.029181 -0.262427 0.849732 -0.457260 -1.16102 -7.95210 23.93507 +5 given ? -0.091159 0.804272 -0.587228 0.328155 0.581008 0.744811 0.940215 -0.124806 -0.316890 21.85742 -12.05360 7.97467 +6 given ? -0.098254 0.513685 0.852334 0.905666 0.401129 -0.137350 -0.412451 0.758435 -0.504640 -0.01082 -6.10795 26.95847 +7 given ? -0.227240 0.933342 -0.277911 0.425039 0.351817 0.834006 0.876187 0.071397 -0.476654 13.37659 -13.83310 11.09769 +8 given ? 0.157726 0.227914 0.960821 0.860769 0.445112 -0.246886 -0.483941 0.865986 -0.125976 -2.60638 -4.08920 17.17687 +# +_database_PDB_matrix.entry_id 1WAV +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1WAV +_struct.title 'CRYSTAL STRUCTURE OF FORM B MONOCLINIC CRYSTAL OF INSULIN' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1WAV +_struct_keywords.pdbx_keywords HORMONE +_struct_keywords.text 'HORMONE, INSULIN, PHENOL' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 1 ? +D N N 2 ? +E N N 1 ? +F N N 2 ? +G N N 1 ? +H N N 2 ? +I N N 1 ? +J N N 2 ? +K N N 1 ? +L N N 2 ? +M N N 3 ? +N N N 4 ? +O N N 3 ? +P N N 4 ? +Q N N 3 ? +R N N 3 ? +S N N 3 ? +T N N 3 ? +U N N 5 ? +V N N 5 ? +W N N 5 ? +X N N 5 ? +Y N N 5 ? +Z N N 5 ? +AA N N 5 ? +BA N N 5 ? +CA N N 5 ? +DA N N 5 ? +EA N N 5 ? +FA N N 5 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.entity_id +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_isoform +_struct_ref.pdbx_seq_one_letter_code +1 UNP INS_PIG P01315 1 88 ? ? +2 UNP INS_PIG P01315 2 25 ? ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1WAV A 1 ? 21 ? P01315 88 ? 108 ? 1 21 +2 2 1WAV B 1 ? 30 ? P01315 25 ? 54 ? 1 30 +3 1 1WAV C 1 ? 21 ? P01315 88 ? 108 ? 1 21 +4 2 1WAV D 1 ? 30 ? P01315 25 ? 54 ? 1 30 +5 1 1WAV E 1 ? 21 ? P01315 88 ? 108 ? 1 21 +6 2 1WAV F 1 ? 30 ? P01315 25 ? 54 ? 1 30 +7 1 1WAV G 1 ? 21 ? P01315 88 ? 108 ? 1 21 +8 2 1WAV H 1 ? 30 ? P01315 25 ? 54 ? 1 30 +9 1 1WAV I 1 ? 21 ? P01315 88 ? 108 ? 1 21 +10 2 1WAV J 1 ? 30 ? P01315 25 ? 54 ? 1 30 +11 1 1WAV K 1 ? 21 ? P01315 88 ? 108 ? 1 21 +12 2 1WAV L 1 ? 30 ? P01315 25 ? 54 ? 1 30 +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_and_software_defined_assembly PISA dimeric 2 +2 author_and_software_defined_assembly PISA dimeric 2 +3 author_and_software_defined_assembly PISA dimeric 2 +4 author_and_software_defined_assembly PISA dimeric 2 +5 author_and_software_defined_assembly PISA dimeric 2 +6 author_and_software_defined_assembly PISA dimeric 2 +7 software_defined_assembly PISA dodecameric 12 +8 software_defined_assembly PISA hexameric 6 +9 software_defined_assembly PISA hexameric 6 +10 software_defined_assembly PISA tetrameric 4 +11 software_defined_assembly PISA tetrameric 4 +12 software_defined_assembly PISA tetrameric 4 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 1330 ? +1 MORE -14 ? +1 'SSA (A^2)' 4200 ? +2 'ABSA (A^2)' 1300 ? +2 MORE -15 ? +2 'SSA (A^2)' 4140 ? +3 'ABSA (A^2)' 1200 ? +3 MORE -13 ? +3 'SSA (A^2)' 4120 ? +4 'ABSA (A^2)' 1230 ? +4 MORE -10 ? +4 'SSA (A^2)' 4250 ? +5 'ABSA (A^2)' 1210 ? +5 MORE -11 ? +5 'SSA (A^2)' 4170 ? +6 'ABSA (A^2)' 1080 ? +6 MORE -12 ? +6 'SSA (A^2)' 4410 ? +7 'ABSA (A^2)' 19320 ? +7 MORE -206 ? +7 'SSA (A^2)' 13510 ? +8 'ABSA (A^2)' 5740 ? +8 MORE -93 ? +8 'SSA (A^2)' 10580 ? +9 'ABSA (A^2)' 5520 ? +9 MORE -91 ? +9 'SSA (A^2)' 11000 ? +10 'ABSA (A^2)' 4030 ? +10 MORE -36 ? +10 'SSA (A^2)' 6950 ? +11 'ABSA (A^2)' 4150 ? +11 MORE -31 ? +11 'SSA (A^2)' 6650 ? +12 'ABSA (A^2)' 3940 ? +12 MORE -30 ? +12 'SSA (A^2)' 6930 ? +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A,B,M,N,U,V +2 1 C,D,O,P,W,X +3 1 E,F,Q,Y,Z +4 1 G,H,R,S,AA,BA +5 1 I,J,T,CA,DA +6 1 K,L,EA,FA +7 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA +8 1 A,B,E,F,I,J,M,N,Q,T,U,V,Y,Z,CA,DA +9 1 C,D,G,H,K,L,O,P,R,S,W,X,AA,BA,EA,FA +10 1 A,B,C,D,M,N,O,P,U,V,W,X +11 1 E,F,G,H,Q,R,S,Y,Z,AA,BA +12 1 I,J,K,L,T,CA,DA,EA,FA +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_biol.id +1 +2 +3 +4 +5 +6 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 VAL A 3 ? THR A 8 ? VAL A 3 THR A 8 1 ? 6 +HELX_P HELX_P2 2 LEU A 13 ? LEU A 16 ? LEU A 13 LEU A 16 1 ? 4 +HELX_P HELX_P3 3 VAL B 2 ? ARG B 22 ? VAL B 2 ARG B 22 1 ? 21 +HELX_P HELX_P4 4 ILE C 2 ? CYS C 6 ? ILE C 2 CYS C 6 1 ? 5 +HELX_P HELX_P5 5 LEU C 13 ? ASN C 18 ? LEU C 13 ASN C 18 1 ? 6 +HELX_P HELX_P6 6 GLN D 4 ? VAL D 18 ? GLN D 4 VAL D 18 1 ? 15 +HELX_P HELX_P7 7 ILE E 2 ? CYS E 6 ? ILE E 2 CYS E 6 1 ? 5 +HELX_P HELX_P8 8 LEU E 13 ? TYR E 19 ? LEU E 13 TYR E 19 1 ? 7 +HELX_P HELX_P9 9 VAL F 2 ? CYS F 19 ? VAL F 2 CYS F 19 1 ? 18 +HELX_P HELX_P10 10 ILE G 2 ? CYS G 7 ? ILE G 2 CYS G 7 1 ? 6 +HELX_P HELX_P11 11 LEU G 13 ? TYR G 19 ? LEU G 13 TYR G 19 1 ? 7 +HELX_P HELX_P12 12 VAL H 2 ? ARG H 22 ? VAL H 2 ARG H 22 1 ? 21 +HELX_P HELX_P13 13 LEU I 13 ? TYR I 19 ? LEU I 13 TYR I 19 1 ? 7 +HELX_P HELX_P14 14 ASN J 3 ? CYS J 19 ? ASN J 3 CYS J 19 1 ? 17 +HELX_P HELX_P15 15 ILE K 2 ? CYS K 6 ? ILE K 2 CYS K 6 1 ? 5 +HELX_P HELX_P16 16 LEU K 13 ? TYR K 19 ? LEU K 13 TYR K 19 1 ? 7 +HELX_P HELX_P17 17 VAL L 2 ? CYS L 19 ? VAL L 2 CYS L 19 1 ? 18 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +disulf1 disulf ? ? A CYS 6 SG ? ? ? 1_555 A CYS 11 SG ? ? A CYS 6 A CYS 11 1_555 ? ? ? ? ? ? ? 2.038 ? ? +disulf2 disulf ? ? A CYS 7 SG ? ? ? 1_555 B CYS 7 SG ? ? A CYS 7 B CYS 7 1_555 ? ? ? ? ? ? ? 2.030 ? ? +disulf3 disulf ? ? A CYS 20 SG ? ? ? 1_555 B CYS 19 SG ? ? A CYS 20 B CYS 19 1_555 ? ? ? ? ? ? ? 1.936 ? ? +disulf4 disulf ? ? C CYS 6 SG ? ? ? 1_555 C CYS 11 SG ? ? C CYS 6 C CYS 11 1_555 ? ? ? ? ? ? ? 2.006 ? ? +disulf5 disulf ? ? C CYS 7 SG ? ? ? 1_555 D CYS 7 SG ? ? C CYS 7 D CYS 7 1_555 ? ? ? ? ? ? ? 2.002 ? ? +disulf6 disulf ? ? C CYS 20 SG ? ? ? 1_555 D CYS 19 SG ? ? C CYS 20 D CYS 19 1_555 ? ? ? ? ? ? ? 2.016 ? ? +disulf7 disulf ? ? E CYS 6 SG ? ? ? 1_555 E CYS 11 SG ? ? E CYS 6 E CYS 11 1_555 ? ? ? ? ? ? ? 2.008 ? ? +disulf8 disulf ? ? E CYS 7 SG ? ? ? 1_555 F CYS 7 SG ? ? E CYS 7 F CYS 7 1_555 ? ? ? ? ? ? ? 2.013 ? ? +disulf9 disulf ? ? E CYS 20 SG ? ? ? 1_555 F CYS 19 SG ? ? E CYS 20 F CYS 19 1_555 ? ? ? ? ? ? ? 2.010 ? ? +disulf10 disulf ? ? G CYS 6 SG ? ? ? 1_555 G CYS 11 SG ? ? G CYS 6 G CYS 11 1_555 ? ? ? ? ? ? ? 2.023 ? ? +disulf11 disulf ? ? G CYS 7 SG ? ? ? 1_555 H CYS 7 SG ? ? G CYS 7 H CYS 7 1_555 ? ? ? ? ? ? ? 2.027 ? ? +disulf12 disulf ? ? G CYS 20 SG ? ? ? 1_555 H CYS 19 SG ? ? G CYS 20 H CYS 19 1_555 ? ? ? ? ? ? ? 1.999 ? ? +disulf13 disulf ? ? I CYS 6 SG ? ? ? 1_555 I CYS 11 SG ? ? I CYS 6 I CYS 11 1_555 ? ? ? ? ? ? ? 2.004 ? ? +disulf14 disulf ? ? I CYS 7 SG ? ? ? 1_555 J CYS 7 SG ? ? I CYS 7 J CYS 7 1_555 ? ? ? ? ? ? ? 1.990 ? ? +disulf15 disulf ? ? I CYS 20 SG ? ? ? 1_555 J CYS 19 SG ? ? I CYS 20 J CYS 19 1_555 ? ? ? ? ? ? ? 2.009 ? ? +disulf16 disulf ? ? K CYS 6 SG ? ? ? 1_555 K CYS 11 SG ? ? K CYS 6 K CYS 11 1_555 ? ? ? ? ? ? ? 2.008 ? ? +disulf17 disulf ? ? K CYS 7 SG ? ? ? 1_555 L CYS 7 SG ? ? K CYS 7 L CYS 7 1_555 ? ? ? ? ? ? ? 2.028 ? ? +disulf18 disulf ? ? K CYS 20 SG ? ? ? 1_555 L CYS 19 SG ? ? K CYS 20 L CYS 19 1_555 ? ? ? ? ? ? ? 2.016 ? ? +metalc1 metalc ? ? B HIS 10 NE2 ? ? ? 1_555 N ZN . ZN ? ? B HIS 10 B ZN 31 1_555 ? ? ? ? ? ? ? 2.597 ? ? +metalc2 metalc ? ? N ZN . ZN ? ? ? 1_555 F HIS 10 NE2 ? ? B ZN 31 F HIS 10 1_555 ? ? ? ? ? ? ? 2.757 ? ? +metalc3 metalc ? ? N ZN . ZN ? ? ? 1_555 Z HOH . O ? ? B ZN 31 F HOH 118 1_555 ? ? ? ? ? ? ? 1.575 ? ? +metalc4 metalc ? ? N ZN . ZN ? ? ? 1_555 J HIS 10 NE2 ? ? B ZN 31 J HIS 10 1_555 ? ? ? ? ? ? ? 2.513 ? ? +metalc5 metalc ? ? D HIS 10 NE2 ? ? ? 1_555 P ZN . ZN ? ? D HIS 10 D ZN 31 1_555 ? ? ? ? ? ? ? 2.612 ? ? +metalc6 metalc ? ? P ZN . ZN ? ? ? 1_555 FA HOH . O ? ? D ZN 31 L HOH 119 1_555 ? ? ? ? ? ? ? 1.509 ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +disulf ? ? +metalc ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 NE2 ? B HIS 10 ? B HIS 10 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 NE2 ? F HIS 10 ? F HIS 10 ? 1_555 80.7 ? +2 NE2 ? B HIS 10 ? B HIS 10 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 O ? Z HOH . ? F HOH 118 ? 1_555 129.2 ? +3 NE2 ? F HIS 10 ? F HIS 10 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 O ? Z HOH . ? F HOH 118 ? 1_555 111.2 ? +4 NE2 ? B HIS 10 ? B HIS 10 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 NE2 ? J HIS 10 ? J HIS 10 ? 1_555 82.9 ? +5 NE2 ? F HIS 10 ? F HIS 10 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 NE2 ? J HIS 10 ? J HIS 10 ? 1_555 85.0 ? +6 O ? Z HOH . ? F HOH 118 ? 1_555 ZN ? N ZN . ? B ZN 31 ? 1_555 NE2 ? J HIS 10 ? J HIS 10 ? 1_555 144.9 ? +7 NE2 ? D HIS 10 ? D HIS 10 ? 1_555 ZN ? P ZN . ? D ZN 31 ? 1_555 O ? FA HOH . ? L HOH 119 ? 1_555 144.7 ? +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 2 ? +B ? 2 ? +C ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +B 1 2 ? anti-parallel +C 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 PHE B 24 ? TYR B 26 ? PHE B 24 TYR B 26 +A 2 PHE D 24 ? TYR D 26 ? PHE D 24 TYR D 26 +B 1 PHE F 24 ? TYR F 26 ? PHE F 24 TYR F 26 +B 2 PHE H 24 ? TYR H 26 ? PHE H 24 TYR H 26 +C 1 PHE J 24 ? TYR J 26 ? PHE J 24 TYR J 26 +C 2 PHE L 24 ? TYR L 26 ? PHE L 24 TYR L 26 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O PHE B 24 ? O PHE B 24 N TYR D 26 ? N TYR D 26 +B 1 2 O PHE F 24 ? O PHE F 24 N TYR H 26 ? N TYR H 26 +C 1 2 O PHE J 24 ? O PHE J 24 N TYR L 26 ? N TYR L 26 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software B ZN 31 ? 4 'BINDING SITE FOR RESIDUE ZN B 31' +AC2 Software D ZN 31 ? 5 'BINDING SITE FOR RESIDUE ZN D 31' +AC3 Software A IPH 22 ? 4 'BINDING SITE FOR RESIDUE IPH A 22' +AC4 Software C IPH 22 ? 3 'BINDING SITE FOR RESIDUE IPH C 22' +AC5 Software F IPH 31 ? 6 'BINDING SITE FOR RESIDUE IPH F 31' +AC6 Software G IPH 22 ? 4 'BINDING SITE FOR RESIDUE IPH G 22' +AC7 Software J IPH 31 ? 6 'BINDING SITE FOR RESIDUE IPH J 31' +AC8 Software H IPH 31 ? 8 'BINDING SITE FOR RESIDUE IPH H 31' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 4 HIS B 10 ? HIS B 10 . ? 1_555 ? +2 AC1 4 HIS F 10 ? HIS F 10 . ? 1_555 ? +3 AC1 4 HOH Z . ? HOH F 118 . ? 1_555 ? +4 AC1 4 HIS J 10 ? HIS J 10 . ? 1_555 ? +5 AC2 5 LEU D 6 ? LEU D 6 . ? 1_555 ? +6 AC2 5 HIS D 10 ? HIS D 10 . ? 1_555 ? +7 AC2 5 HIS H 10 ? HIS H 10 . ? 1_555 ? +8 AC2 5 HIS L 10 ? HIS L 10 . ? 1_555 ? +9 AC2 5 HOH FA . ? HOH L 119 . ? 1_555 ? +10 AC3 4 CYS A 6 ? CYS A 6 . ? 1_555 ? +11 AC3 4 CYS A 11 ? CYS A 11 . ? 1_555 ? +12 AC3 4 LEU B 11 ? LEU B 11 . ? 1_555 ? +13 AC3 4 ALA B 14 ? ALA B 14 . ? 1_555 ? +14 AC4 3 CYS C 6 ? CYS C 6 . ? 1_555 ? +15 AC4 3 CYS C 11 ? CYS C 11 . ? 1_555 ? +16 AC4 3 LEU C 16 ? LEU C 16 . ? 1_555 ? +17 AC5 6 CYS E 6 ? CYS E 6 . ? 1_555 ? +18 AC5 6 ILE E 10 ? ILE E 10 . ? 1_555 ? +19 AC5 6 CYS E 11 ? CYS E 11 . ? 1_555 ? +20 AC5 6 HIS F 10 ? HIS F 10 . ? 1_555 ? +21 AC5 6 LEU F 11 ? LEU F 11 . ? 1_555 ? +22 AC5 6 ALA F 14 ? ALA F 14 . ? 1_555 ? +23 AC6 4 CYS G 6 ? CYS G 6 . ? 1_555 ? +24 AC6 4 SER G 9 ? SER G 9 . ? 1_555 ? +25 AC6 4 ILE G 10 ? ILE G 10 . ? 1_555 ? +26 AC6 4 CYS G 11 ? CYS G 11 . ? 1_555 ? +27 AC7 6 HIS B 5 ? HIS B 5 . ? 1_555 ? +28 AC7 6 LEU D 17 ? LEU D 17 . ? 1_555 ? +29 AC7 6 CYS I 11 ? CYS I 11 . ? 1_555 ? +30 AC7 6 HIS J 10 ? HIS J 10 . ? 1_555 ? +31 AC7 6 LEU J 11 ? LEU J 11 . ? 1_555 ? +32 AC7 6 ALA J 14 ? ALA J 14 . ? 1_555 ? +33 AC8 8 LEU F 17 ? LEU F 17 . ? 1_555 ? +34 AC8 8 VAL H 2 ? VAL H 2 . ? 1_555 ? +35 AC8 8 HIS H 5 ? HIS H 5 . ? 1_555 ? +36 AC8 8 CYS K 6 ? CYS K 6 . ? 1_555 ? +37 AC8 8 ILE K 10 ? ILE K 10 . ? 1_555 ? +38 AC8 8 CYS K 11 ? CYS K 11 . ? 1_555 ? +39 AC8 8 HIS L 10 ? HIS L 10 . ? 1_555 ? +40 AC8 8 ALA L 14 ? ALA L 14 . ? 1_555 ? +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 NE2 B HIS 5 ? ? CD2 B HIS 5 ? ? 1.304 1.373 -0.069 0.011 N +2 1 NE2 B HIS 10 ? ? CD2 B HIS 10 ? ? 1.300 1.373 -0.073 0.011 N +3 1 NE2 D HIS 10 ? ? CD2 D HIS 10 ? ? 1.301 1.373 -0.072 0.011 N +4 1 NE2 F HIS 5 ? ? CD2 F HIS 5 ? ? 1.306 1.373 -0.067 0.011 N +5 1 NE2 F HIS 10 ? ? CD2 F HIS 10 ? ? 1.287 1.373 -0.086 0.011 N +6 1 NE2 H HIS 5 ? ? CD2 H HIS 5 ? ? 1.298 1.373 -0.075 0.011 N +7 1 NE2 H HIS 10 ? ? CD2 H HIS 10 ? ? 1.291 1.373 -0.082 0.011 N +8 1 NE2 J HIS 5 ? ? CD2 J HIS 5 ? ? 1.291 1.373 -0.082 0.011 N +9 1 NE2 L HIS 10 ? ? CD2 L HIS 10 ? ? 1.291 1.373 -0.082 0.011 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 CA A CYS 11 ? ? C A CYS 11 ? ? N A SER 12 ? ? 98.44 117.20 -18.76 2.20 Y +2 1 N B VAL 2 ? ? CA B VAL 2 ? ? C B VAL 2 ? ? 129.76 111.00 18.76 2.70 N +3 1 CA B VAL 12 ? ? CB B VAL 12 ? ? CG2 B VAL 12 ? ? 101.10 110.90 -9.80 1.50 N +4 1 CB B TYR 16 ? ? CG B TYR 16 ? ? CD2 B TYR 16 ? ? 117.36 121.00 -3.64 0.60 N +5 1 CA B LEU 17 ? ? CB B LEU 17 ? ? CG B LEU 17 ? ? 130.97 115.30 15.67 2.30 N +6 1 CA C VAL 3 ? ? C C VAL 3 ? ? N C GLU 4 ? ? 135.46 117.20 18.26 2.20 Y +7 1 CA C CYS 20 ? ? CB C CYS 20 ? ? SG C CYS 20 ? ? 121.82 114.20 7.62 1.10 N +8 1 CA D GLN 4 ? ? CB D GLN 4 ? ? CG D GLN 4 ? ? 128.70 113.40 15.30 2.20 N +9 1 N D SER 9 ? ? CA D SER 9 ? ? CB D SER 9 ? ? 101.17 110.50 -9.33 1.50 N +10 1 CA D GLU 13 ? ? CB D GLU 13 ? ? CG D GLU 13 ? ? 126.76 113.40 13.36 2.20 N +11 1 CB D LEU 17 ? ? CA D LEU 17 ? ? C D LEU 17 ? ? 98.48 110.20 -11.72 1.90 N +12 1 CA D LEU 17 ? ? CB D LEU 17 ? ? CG D LEU 17 ? ? 131.74 115.30 16.44 2.30 N +13 1 CB D LEU 17 ? ? CG D LEU 17 ? ? CD1 D LEU 17 ? ? 98.91 111.00 -12.09 1.70 N +14 1 CG1 D VAL 18 ? ? CB D VAL 18 ? ? CG2 D VAL 18 ? ? 97.80 110.90 -13.10 1.60 N +15 1 NE D ARG 22 ? ? CZ D ARG 22 ? ? NH1 D ARG 22 ? ? 123.89 120.30 3.59 0.50 N +16 1 NE D ARG 22 ? ? CZ D ARG 22 ? ? NH2 D ARG 22 ? ? 116.51 120.30 -3.79 0.50 N +17 1 CA E THR 8 ? ? CB E THR 8 ? ? CG2 E THR 8 ? ? 121.38 112.40 8.98 1.40 N +18 1 CA F PHE 1 ? ? C F PHE 1 ? ? N F VAL 2 ? ? 131.14 117.20 13.94 2.20 Y +19 1 N F VAL 12 ? ? CA F VAL 12 ? ? CB F VAL 12 ? ? 97.51 111.50 -13.99 2.20 N +20 1 CA F GLU 13 ? ? CB F GLU 13 ? ? CG F GLU 13 ? ? 129.39 113.40 15.99 2.20 N +21 1 CB F TYR 26 ? ? CG F TYR 26 ? ? CD1 F TYR 26 ? ? 117.28 121.00 -3.72 0.60 N +22 1 N F PRO 28 ? ? CA F PRO 28 ? ? C F PRO 28 ? ? 130.55 112.10 18.45 2.60 N +23 1 O F LYS 29 ? ? C F LYS 29 ? ? N F ALA 30 ? ? 132.91 122.70 10.21 1.60 Y +24 1 CA G CYS 7 ? ? CB G CYS 7 ? ? SG G CYS 7 ? ? 103.19 114.00 -10.81 1.80 N +25 1 CA H HIS 10 ? ? C H HIS 10 ? ? N H LEU 11 ? ? 132.80 117.20 15.60 2.20 Y +26 1 CB H TYR 16 ? ? CG H TYR 16 ? ? CD1 H TYR 16 ? ? 116.83 121.00 -4.17 0.60 N +27 1 CA H GLU 21 ? ? CB H GLU 21 ? ? CG H GLU 21 ? ? 126.73 113.40 13.33 2.20 N +28 1 NE H ARG 22 ? ? CZ H ARG 22 ? ? NH2 H ARG 22 ? ? 115.58 120.30 -4.72 0.50 N +29 1 CB H TYR 26 ? ? CG H TYR 26 ? ? CD1 H TYR 26 ? ? 115.61 121.00 -5.39 0.60 N +30 1 CA I VAL 3 ? ? C I VAL 3 ? ? N I GLU 4 ? ? 103.81 117.20 -13.39 2.20 Y +31 1 CB I TYR 19 ? ? CG I TYR 19 ? ? CD2 I TYR 19 ? ? 115.62 121.00 -5.38 0.60 N +32 1 CB I TYR 19 ? ? CG I TYR 19 ? ? CD1 I TYR 19 ? ? 124.84 121.00 3.84 0.60 N +33 1 CA J GLU 13 ? ? CB J GLU 13 ? ? CG J GLU 13 ? ? 132.62 113.40 19.22 2.20 N +34 1 CA K TYR 14 ? ? CB K TYR 14 ? ? CG K TYR 14 ? ? 129.10 113.40 15.70 1.90 N +35 1 CB L TYR 16 ? ? CG L TYR 16 ? ? CD1 L TYR 16 ? ? 116.95 121.00 -4.05 0.60 N +36 1 NE L ARG 22 ? ? CZ L ARG 22 ? ? NH1 L ARG 22 ? ? 124.11 120.30 3.81 0.50 N +37 1 CA L ARG 22 ? ? C L ARG 22 ? ? N L GLY 23 ? ? 131.98 116.20 15.78 2.00 Y +38 1 O L ARG 22 ? ? C L ARG 22 ? ? N L GLY 23 ? ? 112.87 123.20 -10.33 1.70 Y +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 TYR A 19 ? ? -100.73 48.85 +2 1 LYS B 29 ? ? -57.73 -166.35 +3 1 THR C 8 ? ? -133.05 -71.80 +4 1 GLU C 17 ? ? -55.81 -8.93 +5 1 CYS C 20 ? ? -151.26 -155.15 +6 1 CYS D 19 ? ? -69.45 0.08 +7 1 THR D 27 ? ? -56.59 97.71 +8 1 PRO D 28 ? ? -58.02 -164.61 +9 1 PRO F 28 ? ? -57.81 -158.47 +10 1 CYS G 7 ? ? -61.00 1.79 +11 1 PRO H 28 ? ? -68.74 3.48 +12 1 LYS H 29 ? ? -117.72 76.45 +13 1 ILE I 2 ? ? -174.24 -78.35 +14 1 VAL I 3 ? ? -16.83 -50.43 +15 1 GLN I 5 ? ? -94.59 -67.66 +16 1 ASN I 18 ? ? -64.09 6.86 +17 1 CYS I 20 ? ? -71.88 -153.43 +18 1 VAL J 2 ? ? -79.90 37.19 +19 1 GLU J 21 ? ? -37.98 -35.83 +20 1 GLN K 5 ? ? -103.43 -70.04 +21 1 ASN K 18 ? ? -97.95 48.67 +# +_pdbx_validate_peptide_omega.id 1 +_pdbx_validate_peptide_omega.PDB_model_num 1 +_pdbx_validate_peptide_omega.auth_comp_id_1 THR +_pdbx_validate_peptide_omega.auth_asym_id_1 D +_pdbx_validate_peptide_omega.auth_seq_id_1 27 +_pdbx_validate_peptide_omega.PDB_ins_code_1 ? +_pdbx_validate_peptide_omega.label_alt_id_1 ? +_pdbx_validate_peptide_omega.auth_comp_id_2 PRO +_pdbx_validate_peptide_omega.auth_asym_id_2 D +_pdbx_validate_peptide_omega.auth_seq_id_2 28 +_pdbx_validate_peptide_omega.PDB_ins_code_2 ? +_pdbx_validate_peptide_omega.label_alt_id_2 ? +_pdbx_validate_peptide_omega.omega -149.04 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 TYR G 14 ? ? 0.079 'SIDE CHAIN' +2 1 TYR G 19 ? ? 0.077 'SIDE CHAIN' +3 1 TYR K 14 ? ? 0.071 'SIDE CHAIN' +# +_pdbx_validate_main_chain_plane.id 1 +_pdbx_validate_main_chain_plane.PDB_model_num 1 +_pdbx_validate_main_chain_plane.auth_comp_id ILE +_pdbx_validate_main_chain_plane.auth_asym_id I +_pdbx_validate_main_chain_plane.auth_seq_id 2 +_pdbx_validate_main_chain_plane.PDB_ins_code ? +_pdbx_validate_main_chain_plane.label_alt_id ? +_pdbx_validate_main_chain_plane.improper_torsion_angle -16.89 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +CYS N N N N 58 +CYS CA C N R 59 +CYS C C N N 60 +CYS O O N N 61 +CYS CB C N N 62 +CYS SG S N N 63 +CYS OXT O N N 64 +CYS H H N N 65 +CYS H2 H N N 66 +CYS HA H N N 67 +CYS HB2 H N N 68 +CYS HB3 H N N 69 +CYS HG H N N 70 +CYS HXT H N N 71 +GLN N N N N 72 +GLN CA C N S 73 +GLN C C N N 74 +GLN O O N N 75 +GLN CB C N N 76 +GLN CG C N N 77 +GLN CD C N N 78 +GLN OE1 O N N 79 +GLN NE2 N N N 80 +GLN OXT O N N 81 +GLN H H N N 82 +GLN H2 H N N 83 +GLN HA H N N 84 +GLN HB2 H N N 85 +GLN HB3 H N N 86 +GLN HG2 H N N 87 +GLN HG3 H N N 88 +GLN HE21 H N N 89 +GLN HE22 H N N 90 +GLN HXT H N N 91 +GLU N N N N 92 +GLU CA C N S 93 +GLU C C N N 94 +GLU O O N N 95 +GLU CB C N N 96 +GLU CG C N N 97 +GLU CD C N N 98 +GLU OE1 O N N 99 +GLU OE2 O N N 100 +GLU OXT O N N 101 +GLU H H N N 102 +GLU H2 H N N 103 +GLU HA H N N 104 +GLU HB2 H N N 105 +GLU HB3 H N N 106 +GLU HG2 H N N 107 +GLU HG3 H N N 108 +GLU HE2 H N N 109 +GLU HXT H N N 110 +GLY N N N N 111 +GLY CA C N N 112 +GLY C C N N 113 +GLY O O N N 114 +GLY OXT O N N 115 +GLY H H N N 116 +GLY H2 H N N 117 +GLY HA2 H N N 118 +GLY HA3 H N N 119 +GLY HXT H N N 120 +HIS N N N N 121 +HIS CA C N S 122 +HIS C C N N 123 +HIS O O N N 124 +HIS CB C N N 125 +HIS CG C Y N 126 +HIS ND1 N Y N 127 +HIS CD2 C Y N 128 +HIS CE1 C Y N 129 +HIS NE2 N Y N 130 +HIS OXT O N N 131 +HIS H H N N 132 +HIS H2 H N N 133 +HIS HA H N N 134 +HIS HB2 H N N 135 +HIS HB3 H N N 136 +HIS HD1 H N N 137 +HIS HD2 H N N 138 +HIS HE1 H N N 139 +HIS HE2 H N N 140 +HIS HXT H N N 141 +HOH O O N N 142 +HOH H1 H N N 143 +HOH H2 H N N 144 +ILE N N N N 145 +ILE CA C N S 146 +ILE C C N N 147 +ILE O O N N 148 +ILE CB C N S 149 +ILE CG1 C N N 150 +ILE CG2 C N N 151 +ILE CD1 C N N 152 +ILE OXT O N N 153 +ILE H H N N 154 +ILE H2 H N N 155 +ILE HA H N N 156 +ILE HB H N N 157 +ILE HG12 H N N 158 +ILE HG13 H N N 159 +ILE HG21 H N N 160 +ILE HG22 H N N 161 +ILE HG23 H N N 162 +ILE HD11 H N N 163 +ILE HD12 H N N 164 +ILE HD13 H N N 165 +ILE HXT H N N 166 +IPH C1 C Y N 167 +IPH C2 C Y N 168 +IPH C3 C Y N 169 +IPH C4 C Y N 170 +IPH C5 C Y N 171 +IPH C6 C Y N 172 +IPH O1 O N N 173 +IPH H2 H N N 174 +IPH H3 H N N 175 +IPH H4 H N N 176 +IPH H5 H N N 177 +IPH H6 H N N 178 +IPH HO1 H N N 179 +LEU N N N N 180 +LEU CA C N S 181 +LEU C C N N 182 +LEU O O N N 183 +LEU CB C N N 184 +LEU CG C N N 185 +LEU CD1 C N N 186 +LEU CD2 C N N 187 +LEU OXT O N N 188 +LEU H H N N 189 +LEU H2 H N N 190 +LEU HA H N N 191 +LEU HB2 H N N 192 +LEU HB3 H N N 193 +LEU HG H N N 194 +LEU HD11 H N N 195 +LEU HD12 H N N 196 +LEU HD13 H N N 197 +LEU HD21 H N N 198 +LEU HD22 H N N 199 +LEU HD23 H N N 200 +LEU HXT H N N 201 +LYS N N N N 202 +LYS CA C N S 203 +LYS C C N N 204 +LYS O O N N 205 +LYS CB C N N 206 +LYS CG C N N 207 +LYS CD C N N 208 +LYS CE C N N 209 +LYS NZ N N N 210 +LYS OXT O N N 211 +LYS H H N N 212 +LYS H2 H N N 213 +LYS HA H N N 214 +LYS HB2 H N N 215 +LYS HB3 H N N 216 +LYS HG2 H N N 217 +LYS HG3 H N N 218 +LYS HD2 H N N 219 +LYS HD3 H N N 220 +LYS HE2 H N N 221 +LYS HE3 H N N 222 +LYS HZ1 H N N 223 +LYS HZ2 H N N 224 +LYS HZ3 H N N 225 +LYS HXT H N N 226 +PHE N N N N 227 +PHE CA C N S 228 +PHE C C N N 229 +PHE O O N N 230 +PHE CB C N N 231 +PHE CG C Y N 232 +PHE CD1 C Y N 233 +PHE CD2 C Y N 234 +PHE CE1 C Y N 235 +PHE CE2 C Y N 236 +PHE CZ C Y N 237 +PHE OXT O N N 238 +PHE H H N N 239 +PHE H2 H N N 240 +PHE HA H N N 241 +PHE HB2 H N N 242 +PHE HB3 H N N 243 +PHE HD1 H N N 244 +PHE HD2 H N N 245 +PHE HE1 H N N 246 +PHE HE2 H N N 247 +PHE HZ H N N 248 +PHE HXT H N N 249 +PRO N N N N 250 +PRO CA C N S 251 +PRO C C N N 252 +PRO O O N N 253 +PRO CB C N N 254 +PRO CG C N N 255 +PRO CD C N N 256 +PRO OXT O N N 257 +PRO H H N N 258 +PRO HA H N N 259 +PRO HB2 H N N 260 +PRO HB3 H N N 261 +PRO HG2 H N N 262 +PRO HG3 H N N 263 +PRO HD2 H N N 264 +PRO HD3 H N N 265 +PRO HXT H N N 266 +SER N N N N 267 +SER CA C N S 268 +SER C C N N 269 +SER O O N N 270 +SER CB C N N 271 +SER OG O N N 272 +SER OXT O N N 273 +SER H H N N 274 +SER H2 H N N 275 +SER HA H N N 276 +SER HB2 H N N 277 +SER HB3 H N N 278 +SER HG H N N 279 +SER HXT H N N 280 +THR N N N N 281 +THR CA C N S 282 +THR C C N N 283 +THR O O N N 284 +THR CB C N R 285 +THR OG1 O N N 286 +THR CG2 C N N 287 +THR OXT O N N 288 +THR H H N N 289 +THR H2 H N N 290 +THR HA H N N 291 +THR HB H N N 292 +THR HG1 H N N 293 +THR HG21 H N N 294 +THR HG22 H N N 295 +THR HG23 H N N 296 +THR HXT H N N 297 +TYR N N N N 298 +TYR CA C N S 299 +TYR C C N N 300 +TYR O O N N 301 +TYR CB C N N 302 +TYR CG C Y N 303 +TYR CD1 C Y N 304 +TYR CD2 C Y N 305 +TYR CE1 C Y N 306 +TYR CE2 C Y N 307 +TYR CZ C Y N 308 +TYR OH O N N 309 +TYR OXT O N N 310 +TYR H H N N 311 +TYR H2 H N N 312 +TYR HA H N N 313 +TYR HB2 H N N 314 +TYR HB3 H N N 315 +TYR HD1 H N N 316 +TYR HD2 H N N 317 +TYR HE1 H N N 318 +TYR HE2 H N N 319 +TYR HH H N N 320 +TYR HXT H N N 321 +VAL N N N N 322 +VAL CA C N S 323 +VAL C C N N 324 +VAL O O N N 325 +VAL CB C N N 326 +VAL CG1 C N N 327 +VAL CG2 C N N 328 +VAL OXT O N N 329 +VAL H H N N 330 +VAL H2 H N N 331 +VAL HA H N N 332 +VAL HB H N N 333 +VAL HG11 H N N 334 +VAL HG12 H N N 335 +VAL HG13 H N N 336 +VAL HG21 H N N 337 +VAL HG22 H N N 338 +VAL HG23 H N N 339 +VAL HXT H N N 340 +ZN ZN ZN N N 341 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +CYS N CA sing N N 55 +CYS N H sing N N 56 +CYS N H2 sing N N 57 +CYS CA C sing N N 58 +CYS CA CB sing N N 59 +CYS CA HA sing N N 60 +CYS C O doub N N 61 +CYS C OXT sing N N 62 +CYS CB SG sing N N 63 +CYS CB HB2 sing N N 64 +CYS CB HB3 sing N N 65 +CYS SG HG sing N N 66 +CYS OXT HXT sing N N 67 +GLN N CA sing N N 68 +GLN N H sing N N 69 +GLN N H2 sing N N 70 +GLN CA C sing N N 71 +GLN CA CB sing N N 72 +GLN CA HA sing N N 73 +GLN C O doub N N 74 +GLN C OXT sing N N 75 +GLN CB CG sing N N 76 +GLN CB HB2 sing N N 77 +GLN CB HB3 sing N N 78 +GLN CG CD sing N N 79 +GLN CG HG2 sing N N 80 +GLN CG HG3 sing N N 81 +GLN CD OE1 doub N N 82 +GLN CD NE2 sing N N 83 +GLN NE2 HE21 sing N N 84 +GLN NE2 HE22 sing N N 85 +GLN OXT HXT sing N N 86 +GLU N CA sing N N 87 +GLU N H sing N N 88 +GLU N H2 sing N N 89 +GLU CA C sing N N 90 +GLU CA CB sing N N 91 +GLU CA HA sing N N 92 +GLU C O doub N N 93 +GLU C OXT sing N N 94 +GLU CB CG sing N N 95 +GLU CB HB2 sing N N 96 +GLU CB HB3 sing N N 97 +GLU CG CD sing N N 98 +GLU CG HG2 sing N N 99 +GLU CG HG3 sing N N 100 +GLU CD OE1 doub N N 101 +GLU CD OE2 sing N N 102 +GLU OE2 HE2 sing N N 103 +GLU OXT HXT sing N N 104 +GLY N CA sing N N 105 +GLY N H sing N N 106 +GLY N H2 sing N N 107 +GLY CA C sing N N 108 +GLY CA HA2 sing N N 109 +GLY CA HA3 sing N N 110 +GLY C O doub N N 111 +GLY C OXT sing N N 112 +GLY OXT HXT sing N N 113 +HIS N CA sing N N 114 +HIS N H sing N N 115 +HIS N H2 sing N N 116 +HIS CA C sing N N 117 +HIS CA CB sing N N 118 +HIS CA HA sing N N 119 +HIS C O doub N N 120 +HIS C OXT sing N N 121 +HIS CB CG sing N N 122 +HIS CB HB2 sing N N 123 +HIS CB HB3 sing N N 124 +HIS CG ND1 sing Y N 125 +HIS CG CD2 doub Y N 126 +HIS ND1 CE1 doub Y N 127 +HIS ND1 HD1 sing N N 128 +HIS CD2 NE2 sing Y N 129 +HIS CD2 HD2 sing N N 130 +HIS CE1 NE2 sing Y N 131 +HIS CE1 HE1 sing N N 132 +HIS NE2 HE2 sing N N 133 +HIS OXT HXT sing N N 134 +HOH O H1 sing N N 135 +HOH O H2 sing N N 136 +ILE N CA sing N N 137 +ILE N H sing N N 138 +ILE N H2 sing N N 139 +ILE CA C sing N N 140 +ILE CA CB sing N N 141 +ILE CA HA sing N N 142 +ILE C O doub N N 143 +ILE C OXT sing N N 144 +ILE CB CG1 sing N N 145 +ILE CB CG2 sing N N 146 +ILE CB HB sing N N 147 +ILE CG1 CD1 sing N N 148 +ILE CG1 HG12 sing N N 149 +ILE CG1 HG13 sing N N 150 +ILE CG2 HG21 sing N N 151 +ILE CG2 HG22 sing N N 152 +ILE CG2 HG23 sing N N 153 +ILE CD1 HD11 sing N N 154 +ILE CD1 HD12 sing N N 155 +ILE CD1 HD13 sing N N 156 +ILE OXT HXT sing N N 157 +IPH C1 C2 doub Y N 158 +IPH C1 C6 sing Y N 159 +IPH C1 O1 sing N N 160 +IPH C2 C3 sing Y N 161 +IPH C2 H2 sing N N 162 +IPH C3 C4 doub Y N 163 +IPH C3 H3 sing N N 164 +IPH C4 C5 sing Y N 165 +IPH C4 H4 sing N N 166 +IPH C5 C6 doub Y N 167 +IPH C5 H5 sing N N 168 +IPH C6 H6 sing N N 169 +IPH O1 HO1 sing N N 170 +LEU N CA sing N N 171 +LEU N H sing N N 172 +LEU N H2 sing N N 173 +LEU CA C sing N N 174 +LEU CA CB sing N N 175 +LEU CA HA sing N N 176 +LEU C O doub N N 177 +LEU C OXT sing N N 178 +LEU CB CG sing N N 179 +LEU CB HB2 sing N N 180 +LEU CB HB3 sing N N 181 +LEU CG CD1 sing N N 182 +LEU CG CD2 sing N N 183 +LEU CG HG sing N N 184 +LEU CD1 HD11 sing N N 185 +LEU CD1 HD12 sing N N 186 +LEU CD1 HD13 sing N N 187 +LEU CD2 HD21 sing N N 188 +LEU CD2 HD22 sing N N 189 +LEU CD2 HD23 sing N N 190 +LEU OXT HXT sing N N 191 +LYS N CA sing N N 192 +LYS N H sing N N 193 +LYS N H2 sing N N 194 +LYS CA C sing N N 195 +LYS CA CB sing N N 196 +LYS CA HA sing N N 197 +LYS C O doub N N 198 +LYS C OXT sing N N 199 +LYS CB CG sing N N 200 +LYS CB HB2 sing N N 201 +LYS CB HB3 sing N N 202 +LYS CG CD sing N N 203 +LYS CG HG2 sing N N 204 +LYS CG HG3 sing N N 205 +LYS CD CE sing N N 206 +LYS CD HD2 sing N N 207 +LYS CD HD3 sing N N 208 +LYS CE NZ sing N N 209 +LYS CE HE2 sing N N 210 +LYS CE HE3 sing N N 211 +LYS NZ HZ1 sing N N 212 +LYS NZ HZ2 sing N N 213 +LYS NZ HZ3 sing N N 214 +LYS OXT HXT sing N N 215 +PHE N CA sing N N 216 +PHE N H sing N N 217 +PHE N H2 sing N N 218 +PHE CA C sing N N 219 +PHE CA CB sing N N 220 +PHE CA HA sing N N 221 +PHE C O doub N N 222 +PHE C OXT sing N N 223 +PHE CB CG sing N N 224 +PHE CB HB2 sing N N 225 +PHE CB HB3 sing N N 226 +PHE CG CD1 doub Y N 227 +PHE CG CD2 sing Y N 228 +PHE CD1 CE1 sing Y N 229 +PHE CD1 HD1 sing N N 230 +PHE CD2 CE2 doub Y N 231 +PHE CD2 HD2 sing N N 232 +PHE CE1 CZ doub Y N 233 +PHE CE1 HE1 sing N N 234 +PHE CE2 CZ sing Y N 235 +PHE CE2 HE2 sing N N 236 +PHE CZ HZ sing N N 237 +PHE OXT HXT sing N N 238 +PRO N CA sing N N 239 +PRO N CD sing N N 240 +PRO N H sing N N 241 +PRO CA C sing N N 242 +PRO CA CB sing N N 243 +PRO CA HA sing N N 244 +PRO C O doub N N 245 +PRO C OXT sing N N 246 +PRO CB CG sing N N 247 +PRO CB HB2 sing N N 248 +PRO CB HB3 sing N N 249 +PRO CG CD sing N N 250 +PRO CG HG2 sing N N 251 +PRO CG HG3 sing N N 252 +PRO CD HD2 sing N N 253 +PRO CD HD3 sing N N 254 +PRO OXT HXT sing N N 255 +SER N CA sing N N 256 +SER N H sing N N 257 +SER N H2 sing N N 258 +SER CA C sing N N 259 +SER CA CB sing N N 260 +SER CA HA sing N N 261 +SER C O doub N N 262 +SER C OXT sing N N 263 +SER CB OG sing N N 264 +SER CB HB2 sing N N 265 +SER CB HB3 sing N N 266 +SER OG HG sing N N 267 +SER OXT HXT sing N N 268 +THR N CA sing N N 269 +THR N H sing N N 270 +THR N H2 sing N N 271 +THR CA C sing N N 272 +THR CA CB sing N N 273 +THR CA HA sing N N 274 +THR C O doub N N 275 +THR C OXT sing N N 276 +THR CB OG1 sing N N 277 +THR CB CG2 sing N N 278 +THR CB HB sing N N 279 +THR OG1 HG1 sing N N 280 +THR CG2 HG21 sing N N 281 +THR CG2 HG22 sing N N 282 +THR CG2 HG23 sing N N 283 +THR OXT HXT sing N N 284 +TYR N CA sing N N 285 +TYR N H sing N N 286 +TYR N H2 sing N N 287 +TYR CA C sing N N 288 +TYR CA CB sing N N 289 +TYR CA HA sing N N 290 +TYR C O doub N N 291 +TYR C OXT sing N N 292 +TYR CB CG sing N N 293 +TYR CB HB2 sing N N 294 +TYR CB HB3 sing N N 295 +TYR CG CD1 doub Y N 296 +TYR CG CD2 sing Y N 297 +TYR CD1 CE1 sing Y N 298 +TYR CD1 HD1 sing N N 299 +TYR CD2 CE2 doub Y N 300 +TYR CD2 HD2 sing N N 301 +TYR CE1 CZ doub Y N 302 +TYR CE1 HE1 sing N N 303 +TYR CE2 CZ sing Y N 304 +TYR CE2 HE2 sing N N 305 +TYR CZ OH sing N N 306 +TYR OH HH sing N N 307 +TYR OXT HXT sing N N 308 +VAL N CA sing N N 309 +VAL N H sing N N 310 +VAL N H2 sing N N 311 +VAL CA C sing N N 312 +VAL CA CB sing N N 313 +VAL CA HA sing N N 314 +VAL C O doub N N 315 +VAL C OXT sing N N 316 +VAL CB CG1 sing N N 317 +VAL CB CG2 sing N N 318 +VAL CB HB sing N N 319 +VAL CG1 HG11 sing N N 320 +VAL CG1 HG12 sing N N 321 +VAL CG1 HG13 sing N N 322 +VAL CG2 HG21 sing N N 323 +VAL CG2 HG22 sing N N 324 +VAL CG2 HG23 sing N N 325 +VAL OXT HXT sing N N 326 +# +_atom_sites.entry_id 1WAV +_atom_sites.fract_transf_matrix[1][1] 0.020309 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.002063 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.016410 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.020862 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +ZN +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -12.293 -4.329 18.285 1.00 40.30 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -12.613 -3.045 17.707 1.00 39.66 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -11.671 -2.738 16.536 1.00 40.34 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -12.045 -2.629 15.343 1.00 37.59 ? 1 GLY A O 1 +ATOM 5 N N . ILE A 1 2 ? -10.395 -2.870 16.948 1.00 37.32 ? 2 ILE A N 1 +ATOM 6 C CA . ILE A 1 2 ? -9.298 -2.378 16.165 1.00 36.56 ? 2 ILE A CA 1 +ATOM 7 C C . ILE A 1 2 ? -8.948 -3.370 15.070 1.00 37.77 ? 2 ILE A C 1 +ATOM 8 O O . ILE A 1 2 ? -9.265 -3.186 13.890 1.00 36.12 ? 2 ILE A O 1 +ATOM 9 C CB . ILE A 1 2 ? -8.228 -2.051 17.250 1.00 34.88 ? 2 ILE A CB 1 +ATOM 10 C CG1 . ILE A 1 2 ? -7.841 -0.610 17.130 1.00 31.55 ? 2 ILE A CG1 1 +ATOM 11 C CG2 . ILE A 1 2 ? -7.005 -2.929 17.118 1.00 33.31 ? 2 ILE A CG2 1 +ATOM 12 C CD1 . ILE A 1 2 ? -8.277 0.199 18.399 1.00 34.26 ? 2 ILE A CD1 1 +ATOM 13 N N . VAL A 1 3 ? -8.529 -4.528 15.564 1.00 39.28 ? 3 VAL A N 1 +ATOM 14 C CA . VAL A 1 3 ? -7.866 -5.531 14.772 1.00 40.80 ? 3 VAL A CA 1 +ATOM 15 C C . VAL A 1 3 ? -8.735 -6.131 13.708 1.00 38.55 ? 3 VAL A C 1 +ATOM 16 O O . VAL A 1 3 ? -8.190 -6.308 12.636 1.00 39.58 ? 3 VAL A O 1 +ATOM 17 C CB . VAL A 1 3 ? -7.296 -6.670 15.718 1.00 41.49 ? 3 VAL A CB 1 +ATOM 18 C CG1 . VAL A 1 3 ? -8.449 -7.368 16.444 1.00 43.28 ? 3 VAL A CG1 1 +ATOM 19 C CG2 . VAL A 1 3 ? -6.576 -7.764 14.925 1.00 43.25 ? 3 VAL A CG2 1 +ATOM 20 N N . GLU A 1 4 ? -10.043 -6.352 13.905 1.00 39.36 ? 4 GLU A N 1 +ATOM 21 C CA . GLU A 1 4 ? -10.727 -7.230 12.972 1.00 37.45 ? 4 GLU A CA 1 +ATOM 22 C C . GLU A 1 4 ? -10.919 -6.588 11.613 1.00 33.70 ? 4 GLU A C 1 +ATOM 23 O O . GLU A 1 4 ? -10.247 -7.075 10.695 1.00 31.04 ? 4 GLU A O 1 +ATOM 24 C CB . GLU A 1 4 ? -12.079 -7.722 13.605 1.00 42.00 ? 4 GLU A CB 1 +ATOM 25 C CG . GLU A 1 4 ? -13.252 -6.785 14.008 1.00 42.17 ? 4 GLU A CG 1 +ATOM 26 C CD . GLU A 1 4 ? -13.136 -6.005 15.297 1.00 39.48 ? 4 GLU A CD 1 +ATOM 27 O OE1 . GLU A 1 4 ? -12.681 -6.543 16.304 1.00 32.97 ? 4 GLU A OE1 1 +ATOM 28 O OE2 . GLU A 1 4 ? -13.537 -4.853 15.265 1.00 28.00 ? 4 GLU A OE2 1 +ATOM 29 N N . GLN A 1 5 ? -11.651 -5.478 11.472 1.00 27.52 ? 5 GLN A N 1 +ATOM 30 C CA . GLN A 1 5 ? -11.786 -4.882 10.168 1.00 25.14 ? 5 GLN A CA 1 +ATOM 31 C C . GLN A 1 5 ? -10.455 -4.435 9.624 1.00 24.60 ? 5 GLN A C 1 +ATOM 32 O O . GLN A 1 5 ? -10.132 -4.820 8.500 1.00 26.92 ? 5 GLN A O 1 +ATOM 33 C CB . GLN A 1 5 ? -12.650 -3.666 10.110 1.00 27.47 ? 5 GLN A CB 1 +ATOM 34 C CG . GLN A 1 5 ? -13.198 -3.220 11.437 1.00 32.16 ? 5 GLN A CG 1 +ATOM 35 C CD . GLN A 1 5 ? -14.695 -3.311 11.598 1.00 26.25 ? 5 GLN A CD 1 +ATOM 36 O OE1 . GLN A 1 5 ? -15.347 -2.309 11.825 1.00 32.04 ? 5 GLN A OE1 1 +ATOM 37 N NE2 . GLN A 1 5 ? -15.304 -4.466 11.531 1.00 23.27 ? 5 GLN A NE2 1 +ATOM 38 N N . CYS A 1 6 ? -9.625 -3.753 10.396 1.00 18.98 ? 6 CYS A N 1 +ATOM 39 C CA . CYS A 1 6 ? -8.414 -3.290 9.803 1.00 18.10 ? 6 CYS A CA 1 +ATOM 40 C C . CYS A 1 6 ? -7.288 -4.282 9.572 1.00 19.59 ? 6 CYS A C 1 +ATOM 41 O O . CYS A 1 6 ? -6.292 -3.964 8.918 1.00 23.77 ? 6 CYS A O 1 +ATOM 42 C CB . CYS A 1 6 ? -7.977 -2.144 10.609 1.00 16.49 ? 6 CYS A CB 1 +ATOM 43 S SG . CYS A 1 6 ? -9.219 -0.834 10.478 1.00 27.13 ? 6 CYS A SG 1 +ATOM 44 N N . CYS A 1 7 ? -7.371 -5.539 9.984 1.00 23.50 ? 7 CYS A N 1 +ATOM 45 C CA . CYS A 1 7 ? -6.298 -6.510 9.676 1.00 23.70 ? 7 CYS A CA 1 +ATOM 46 C C . CYS A 1 7 ? -6.781 -7.541 8.663 1.00 26.23 ? 7 CYS A C 1 +ATOM 47 O O . CYS A 1 7 ? -6.025 -8.366 8.118 1.00 27.74 ? 7 CYS A O 1 +ATOM 48 C CB . CYS A 1 7 ? -5.786 -7.226 10.973 1.00 21.58 ? 7 CYS A CB 1 +ATOM 49 S SG . CYS A 1 7 ? -4.915 -6.039 12.074 1.00 23.54 ? 7 CYS A SG 1 +ATOM 50 N N . THR A 1 8 ? -8.089 -7.469 8.381 1.00 27.10 ? 8 THR A N 1 +ATOM 51 C CA . THR A 1 8 ? -8.685 -8.315 7.383 1.00 22.02 ? 8 THR A CA 1 +ATOM 52 C C . THR A 1 8 ? -8.838 -7.390 6.187 1.00 23.02 ? 8 THR A C 1 +ATOM 53 O O . THR A 1 8 ? -8.697 -7.880 5.067 1.00 24.61 ? 8 THR A O 1 +ATOM 54 C CB . THR A 1 8 ? -10.045 -8.863 7.916 1.00 22.42 ? 8 THR A CB 1 +ATOM 55 O OG1 . THR A 1 8 ? -10.813 -7.758 8.284 1.00 21.85 ? 8 THR A OG1 1 +ATOM 56 C CG2 . THR A 1 8 ? -9.948 -9.708 9.171 1.00 22.20 ? 8 THR A CG2 1 +ATOM 57 N N . SER A 1 9 ? -9.105 -6.087 6.306 1.00 20.38 ? 9 SER A N 1 +ATOM 58 C CA . SER A 1 9 ? -9.215 -5.282 5.127 1.00 21.47 ? 9 SER A CA 1 +ATOM 59 C C . SER A 1 9 ? -8.528 -3.987 5.499 1.00 24.87 ? 9 SER A C 1 +ATOM 60 O O . SER A 1 9 ? -8.564 -3.560 6.642 1.00 26.12 ? 9 SER A O 1 +ATOM 61 C CB . SER A 1 9 ? -10.705 -5.101 4.753 1.00 20.62 ? 9 SER A CB 1 +ATOM 62 O OG . SER A 1 9 ? -11.500 -4.420 5.714 1.00 29.59 ? 9 SER A OG 1 +ATOM 63 N N . ILE A 1 10 ? -7.875 -3.350 4.534 1.00 24.08 ? 10 ILE A N 1 +ATOM 64 C CA . ILE A 1 10 ? -7.038 -2.208 4.808 1.00 24.50 ? 10 ILE A CA 1 +ATOM 65 C C . ILE A 1 10 ? -7.719 -0.897 5.116 1.00 25.69 ? 10 ILE A C 1 +ATOM 66 O O . ILE A 1 10 ? -8.482 -0.329 4.321 1.00 26.31 ? 10 ILE A O 1 +ATOM 67 C CB . ILE A 1 10 ? -6.054 -2.045 3.611 1.00 23.73 ? 10 ILE A CB 1 +ATOM 68 C CG1 . ILE A 1 10 ? -5.157 -3.277 3.686 1.00 25.84 ? 10 ILE A CG1 1 +ATOM 69 C CG2 . ILE A 1 10 ? -5.199 -0.770 3.629 1.00 20.26 ? 10 ILE A CG2 1 +ATOM 70 C CD1 . ILE A 1 10 ? -4.224 -3.348 2.477 1.00 23.83 ? 10 ILE A CD1 1 +ATOM 71 N N . CYS A 1 11 ? -7.297 -0.415 6.282 1.00 25.81 ? 11 CYS A N 1 +ATOM 72 C CA . CYS A 1 11 ? -7.676 0.888 6.727 1.00 23.30 ? 11 CYS A CA 1 +ATOM 73 C C . CYS A 1 11 ? -6.621 1.916 6.372 1.00 25.68 ? 11 CYS A C 1 +ATOM 74 O O . CYS A 1 11 ? -5.400 1.776 6.175 1.00 25.83 ? 11 CYS A O 1 +ATOM 75 C CB . CYS A 1 11 ? -7.970 0.887 8.255 1.00 24.70 ? 11 CYS A CB 1 +ATOM 76 S SG . CYS A 1 11 ? -9.492 0.000 8.639 1.00 25.16 ? 11 CYS A SG 1 +ATOM 77 N N . SER A 1 12 ? -7.431 2.921 6.040 1.00 29.28 ? 12 SER A N 1 +ATOM 78 C CA . SER A 1 12 ? -7.067 4.197 5.462 1.00 30.13 ? 12 SER A CA 1 +ATOM 79 C C . SER A 1 12 ? -6.958 5.251 6.533 1.00 28.57 ? 12 SER A C 1 +ATOM 80 O O . SER A 1 12 ? -7.691 5.252 7.539 1.00 22.03 ? 12 SER A O 1 +ATOM 81 C CB . SER A 1 12 ? -8.148 4.628 4.416 1.00 34.10 ? 12 SER A CB 1 +ATOM 82 O OG . SER A 1 12 ? -9.462 4.906 4.935 1.00 36.36 ? 12 SER A OG 1 +ATOM 83 N N . LEU A 1 13 ? -6.127 6.216 6.134 1.00 26.01 ? 13 LEU A N 1 +ATOM 84 C CA . LEU A 1 13 ? -5.825 7.286 7.019 1.00 27.85 ? 13 LEU A CA 1 +ATOM 85 C C . LEU A 1 13 ? -7.097 7.986 7.434 1.00 27.82 ? 13 LEU A C 1 +ATOM 86 O O . LEU A 1 13 ? -7.346 7.990 8.637 1.00 30.34 ? 13 LEU A O 1 +ATOM 87 C CB . LEU A 1 13 ? -4.777 8.152 6.308 1.00 29.55 ? 13 LEU A CB 1 +ATOM 88 C CG . LEU A 1 13 ? -3.386 7.456 6.039 1.00 31.73 ? 13 LEU A CG 1 +ATOM 89 C CD1 . LEU A 1 13 ? -2.281 8.486 6.263 1.00 29.31 ? 13 LEU A CD1 1 +ATOM 90 C CD2 . LEU A 1 13 ? -3.020 6.354 7.069 1.00 32.78 ? 13 LEU A CD2 1 +ATOM 91 N N . TYR A 1 14 ? -8.032 8.393 6.586 1.00 29.50 ? 14 TYR A N 1 +ATOM 92 C CA . TYR A 1 14 ? -9.246 9.050 7.087 1.00 30.71 ? 14 TYR A CA 1 +ATOM 93 C C . TYR A 1 14 ? -10.085 8.146 8.019 1.00 28.23 ? 14 TYR A C 1 +ATOM 94 O O . TYR A 1 14 ? -10.773 8.604 8.925 1.00 27.64 ? 14 TYR A O 1 +ATOM 95 C CB . TYR A 1 14 ? -10.045 9.517 5.859 1.00 32.89 ? 14 TYR A CB 1 +ATOM 96 C CG . TYR A 1 14 ? -11.355 10.255 6.164 1.00 39.03 ? 14 TYR A CG 1 +ATOM 97 C CD1 . TYR A 1 14 ? -11.394 11.629 6.406 1.00 37.27 ? 14 TYR A CD1 1 +ATOM 98 C CD2 . TYR A 1 14 ? -12.548 9.535 6.151 1.00 40.75 ? 14 TYR A CD2 1 +ATOM 99 C CE1 . TYR A 1 14 ? -12.606 12.284 6.636 1.00 39.56 ? 14 TYR A CE1 1 +ATOM 100 C CE2 . TYR A 1 14 ? -13.758 10.175 6.371 1.00 39.07 ? 14 TYR A CE2 1 +ATOM 101 C CZ . TYR A 1 14 ? -13.789 11.544 6.603 1.00 41.15 ? 14 TYR A CZ 1 +ATOM 102 O OH . TYR A 1 14 ? -15.032 12.157 6.746 1.00 43.56 ? 14 TYR A OH 1 +ATOM 103 N N . GLN A 1 15 ? -9.975 6.825 7.899 1.00 29.56 ? 15 GLN A N 1 +ATOM 104 C CA . GLN A 1 15 ? -10.808 5.882 8.642 1.00 25.62 ? 15 GLN A CA 1 +ATOM 105 C C . GLN A 1 15 ? -10.149 5.780 9.955 1.00 21.95 ? 15 GLN A C 1 +ATOM 106 O O . GLN A 1 15 ? -10.929 5.758 10.866 1.00 21.22 ? 15 GLN A O 1 +ATOM 107 C CB . GLN A 1 15 ? -10.833 4.495 8.006 1.00 28.41 ? 15 GLN A CB 1 +ATOM 108 C CG . GLN A 1 15 ? -12.100 3.690 8.093 1.00 31.36 ? 15 GLN A CG 1 +ATOM 109 C CD . GLN A 1 15 ? -12.036 2.507 7.125 1.00 33.39 ? 15 GLN A CD 1 +ATOM 110 O OE1 . GLN A 1 15 ? -11.615 2.644 5.979 1.00 31.77 ? 15 GLN A OE1 1 +ATOM 111 N NE2 . GLN A 1 15 ? -12.409 1.289 7.504 1.00 40.19 ? 15 GLN A NE2 1 +ATOM 112 N N . LEU A 1 16 ? -8.825 5.702 10.112 1.00 20.35 ? 16 LEU A N 1 +ATOM 113 C CA . LEU A 1 16 ? -8.161 5.702 11.425 1.00 19.65 ? 16 LEU A CA 1 +ATOM 114 C C . LEU A 1 16 ? -8.075 7.117 12.054 1.00 20.87 ? 16 LEU A C 1 +ATOM 115 O O . LEU A 1 16 ? -7.561 7.341 13.145 1.00 23.11 ? 16 LEU A O 1 +ATOM 116 C CB . LEU A 1 16 ? -6.740 5.213 11.357 1.00 12.57 ? 16 LEU A CB 1 +ATOM 117 C CG . LEU A 1 16 ? -6.340 3.802 11.345 1.00 9.64 ? 16 LEU A CG 1 +ATOM 118 C CD1 . LEU A 1 16 ? -7.490 2.933 11.050 1.00 9.62 ? 16 LEU A CD1 1 +ATOM 119 C CD2 . LEU A 1 16 ? -5.190 3.703 10.378 1.00 11.88 ? 16 LEU A CD2 1 +ATOM 120 N N . GLU A 1 17 ? -8.528 8.166 11.380 1.00 21.37 ? 17 GLU A N 1 +ATOM 121 C CA . GLU A 1 17 ? -8.561 9.492 11.942 1.00 17.32 ? 17 GLU A CA 1 +ATOM 122 C C . GLU A 1 17 ? -9.738 9.494 12.947 1.00 18.97 ? 17 GLU A C 1 +ATOM 123 O O . GLU A 1 17 ? -9.911 10.324 13.822 1.00 18.13 ? 17 GLU A O 1 +ATOM 124 C CB . GLU A 1 17 ? -8.695 10.345 10.699 1.00 14.20 ? 17 GLU A CB 1 +ATOM 125 C CG . GLU A 1 17 ? -8.913 11.818 10.907 1.00 18.68 ? 17 GLU A CG 1 +ATOM 126 C CD . GLU A 1 17 ? -8.211 12.798 9.985 1.00 19.79 ? 17 GLU A CD 1 +ATOM 127 O OE1 . GLU A 1 17 ? -7.566 12.421 8.995 1.00 24.94 ? 17 GLU A OE1 1 +ATOM 128 O OE2 . GLU A 1 17 ? -8.300 13.976 10.311 1.00 24.41 ? 17 GLU A OE2 1 +ATOM 129 N N . ASN A 1 18 ? -10.613 8.527 12.906 1.00 19.52 ? 18 ASN A N 1 +ATOM 130 C CA . ASN A 1 18 ? -11.785 8.415 13.741 1.00 25.02 ? 18 ASN A CA 1 +ATOM 131 C C . ASN A 1 18 ? -11.394 7.745 15.007 1.00 26.27 ? 18 ASN A C 1 +ATOM 132 O O . ASN A 1 18 ? -12.051 7.881 16.012 1.00 30.80 ? 18 ASN A O 1 +ATOM 133 C CB . ASN A 1 18 ? -12.850 7.599 12.933 1.00 31.51 ? 18 ASN A CB 1 +ATOM 134 C CG . ASN A 1 18 ? -14.019 6.798 13.567 1.00 36.94 ? 18 ASN A CG 1 +ATOM 135 O OD1 . ASN A 1 18 ? -13.921 5.976 14.502 1.00 35.68 ? 18 ASN A OD1 1 +ATOM 136 N ND2 . ASN A 1 18 ? -15.168 7.035 12.925 1.00 36.22 ? 18 ASN A ND2 1 +ATOM 137 N N . TYR A 1 19 ? -10.307 7.003 15.063 1.00 28.89 ? 19 TYR A N 1 +ATOM 138 C CA . TYR A 1 19 ? -9.935 6.269 16.276 1.00 25.49 ? 19 TYR A CA 1 +ATOM 139 C C . TYR A 1 19 ? -8.863 7.148 16.896 1.00 25.68 ? 19 TYR A C 1 +ATOM 140 O O . TYR A 1 19 ? -7.738 6.717 17.182 1.00 29.87 ? 19 TYR A O 1 +ATOM 141 C CB . TYR A 1 19 ? -9.411 4.846 15.884 1.00 26.21 ? 19 TYR A CB 1 +ATOM 142 C CG . TYR A 1 19 ? -10.224 3.977 14.856 1.00 30.73 ? 19 TYR A CG 1 +ATOM 143 C CD1 . TYR A 1 19 ? -11.233 4.497 14.054 1.00 29.21 ? 19 TYR A CD1 1 +ATOM 144 C CD2 . TYR A 1 19 ? -9.954 2.627 14.682 1.00 32.14 ? 19 TYR A CD2 1 +ATOM 145 C CE1 . TYR A 1 19 ? -11.938 3.744 13.134 1.00 31.55 ? 19 TYR A CE1 1 +ATOM 146 C CE2 . TYR A 1 19 ? -10.664 1.850 13.762 1.00 35.17 ? 19 TYR A CE2 1 +ATOM 147 C CZ . TYR A 1 19 ? -11.656 2.416 12.983 1.00 32.48 ? 19 TYR A CZ 1 +ATOM 148 O OH . TYR A 1 19 ? -12.378 1.679 12.058 1.00 31.47 ? 19 TYR A OH 1 +ATOM 149 N N . CYS A 1 20 ? -9.175 8.440 16.996 1.00 22.54 ? 20 CYS A N 1 +ATOM 150 C CA . CYS A 1 20 ? -8.308 9.366 17.691 1.00 24.30 ? 20 CYS A CA 1 +ATOM 151 C C . CYS A 1 20 ? -9.274 10.054 18.650 1.00 26.90 ? 20 CYS A C 1 +ATOM 152 O O . CYS A 1 20 ? -10.513 10.024 18.531 1.00 21.36 ? 20 CYS A O 1 +ATOM 153 C CB . CYS A 1 20 ? -7.656 10.444 16.821 1.00 18.88 ? 20 CYS A CB 1 +ATOM 154 S SG . CYS A 1 20 ? -6.802 9.866 15.334 1.00 21.47 ? 20 CYS A SG 1 +ATOM 155 N N . ASN A 1 21 ? -8.601 10.475 19.721 1.00 30.95 ? 21 ASN A N 1 +ATOM 156 C CA . ASN A 1 21 ? -9.244 11.073 20.879 1.00 36.58 ? 21 ASN A CA 1 +ATOM 157 C C . ASN A 1 21 ? -9.755 12.505 20.672 1.00 38.03 ? 21 ASN A C 1 +ATOM 158 O O . ASN A 1 21 ? -9.927 12.948 19.521 1.00 40.30 ? 21 ASN A O 1 +ATOM 159 C CB . ASN A 1 21 ? -8.235 11.000 22.017 1.00 36.88 ? 21 ASN A CB 1 +ATOM 160 C CG . ASN A 1 21 ? -8.759 10.715 23.426 1.00 36.17 ? 21 ASN A CG 1 +ATOM 161 O OD1 . ASN A 1 21 ? -8.172 11.184 24.409 1.00 39.21 ? 21 ASN A OD1 1 +ATOM 162 N ND2 . ASN A 1 21 ? -9.739 9.837 23.645 1.00 32.44 ? 21 ASN A ND2 1 +ATOM 163 O OXT . ASN A 1 21 ? -10.050 13.162 21.679 1.00 41.24 ? 21 ASN A OXT 1 +ATOM 164 N N . PHE B 2 1 ? -1.796 -18.063 15.599 1.00 30.28 ? 1 PHE B N 1 +ATOM 165 C CA . PHE B 2 1 ? -2.222 -16.870 16.298 1.00 30.92 ? 1 PHE B CA 1 +ATOM 166 C C . PHE B 2 1 ? -1.529 -15.583 15.811 1.00 34.45 ? 1 PHE B C 1 +ATOM 167 O O . PHE B 2 1 ? -2.180 -14.540 15.746 1.00 34.27 ? 1 PHE B O 1 +ATOM 168 C CB . PHE B 2 1 ? -1.970 -17.096 17.814 1.00 29.56 ? 1 PHE B CB 1 +ATOM 169 C CG . PHE B 2 1 ? -2.706 -16.156 18.797 1.00 33.31 ? 1 PHE B CG 1 +ATOM 170 C CD1 . PHE B 2 1 ? -4.044 -16.348 19.122 1.00 33.33 ? 1 PHE B CD1 1 +ATOM 171 C CD2 . PHE B 2 1 ? -2.050 -15.081 19.380 1.00 28.91 ? 1 PHE B CD2 1 +ATOM 172 C CE1 . PHE B 2 1 ? -4.668 -15.473 20.003 1.00 34.73 ? 1 PHE B CE1 1 +ATOM 173 C CE2 . PHE B 2 1 ? -2.685 -14.225 20.248 1.00 25.33 ? 1 PHE B CE2 1 +ATOM 174 C CZ . PHE B 2 1 ? -3.989 -14.409 20.567 1.00 29.89 ? 1 PHE B CZ 1 +ATOM 175 N N . VAL B 2 2 ? -0.271 -15.573 15.330 1.00 35.87 ? 2 VAL B N 1 +ATOM 176 C CA . VAL B 2 2 ? 0.494 -14.332 15.046 1.00 36.28 ? 2 VAL B CA 1 +ATOM 177 C C . VAL B 2 2 ? 0.146 -13.142 14.108 1.00 34.08 ? 2 VAL B C 1 +ATOM 178 O O . VAL B 2 2 ? 0.441 -12.006 14.521 1.00 36.83 ? 2 VAL B O 1 +ATOM 179 C CB . VAL B 2 2 ? 1.937 -14.870 14.734 1.00 39.46 ? 2 VAL B CB 1 +ATOM 180 C CG1 . VAL B 2 2 ? 2.365 -14.698 13.258 1.00 37.99 ? 2 VAL B CG1 1 +ATOM 181 C CG2 . VAL B 2 2 ? 2.859 -14.175 15.766 1.00 37.87 ? 2 VAL B CG2 1 +ATOM 182 N N . ASN B 2 3 ? -0.498 -13.237 12.921 1.00 32.15 ? 3 ASN B N 1 +ATOM 183 C CA . ASN B 2 3 ? -0.754 -12.089 12.041 1.00 24.85 ? 3 ASN B CA 1 +ATOM 184 C C . ASN B 2 3 ? -1.599 -10.969 12.595 1.00 22.81 ? 3 ASN B C 1 +ATOM 185 O O . ASN B 2 3 ? -1.348 -9.790 12.307 1.00 23.38 ? 3 ASN B O 1 +ATOM 186 C CB . ASN B 2 3 ? -1.358 -12.575 10.743 1.00 28.37 ? 3 ASN B CB 1 +ATOM 187 C CG . ASN B 2 3 ? -0.335 -13.488 10.040 1.00 35.01 ? 3 ASN B CG 1 +ATOM 188 O OD1 . ASN B 2 3 ? -0.451 -14.696 10.262 1.00 39.03 ? 3 ASN B OD1 1 +ATOM 189 N ND2 . ASN B 2 3 ? 0.708 -13.097 9.279 1.00 35.66 ? 3 ASN B ND2 1 +ATOM 190 N N . GLN B 2 4 ? -2.545 -11.324 13.464 1.00 20.33 ? 4 GLN B N 1 +ATOM 191 C CA . GLN B 2 4 ? -3.353 -10.378 14.252 1.00 19.09 ? 4 GLN B CA 1 +ATOM 192 C C . GLN B 2 4 ? -2.409 -9.561 15.137 1.00 17.02 ? 4 GLN B C 1 +ATOM 193 O O . GLN B 2 4 ? -2.415 -8.339 15.126 1.00 16.83 ? 4 GLN B O 1 +ATOM 194 C CB . GLN B 2 4 ? -4.414 -11.217 15.071 1.00 20.53 ? 4 GLN B CB 1 +ATOM 195 C CG . GLN B 2 4 ? -4.089 -12.244 16.225 1.00 24.41 ? 4 GLN B CG 1 +ATOM 196 C CD . GLN B 2 4 ? -4.985 -13.496 16.244 1.00 32.70 ? 4 GLN B CD 1 +ATOM 197 O OE1 . GLN B 2 4 ? -5.903 -13.842 17.032 1.00 31.95 ? 4 GLN B OE1 1 +ATOM 198 N NE2 . GLN B 2 4 ? -4.719 -14.299 15.236 1.00 31.54 ? 4 GLN B NE2 1 +ATOM 199 N N . HIS B 2 5 ? -1.464 -10.172 15.843 1.00 18.58 ? 5 HIS B N 1 +ATOM 200 C CA . HIS B 2 5 ? -0.525 -9.433 16.681 1.00 20.19 ? 5 HIS B CA 1 +ATOM 201 C C . HIS B 2 5 ? 0.409 -8.608 15.833 1.00 18.45 ? 5 HIS B C 1 +ATOM 202 O O . HIS B 2 5 ? 0.653 -7.448 16.136 1.00 21.02 ? 5 HIS B O 1 +ATOM 203 C CB . HIS B 2 5 ? 0.337 -10.382 17.584 1.00 19.55 ? 5 HIS B CB 1 +ATOM 204 C CG . HIS B 2 5 ? 0.987 -9.682 18.822 1.00 22.23 ? 5 HIS B CG 1 +ATOM 205 N ND1 . HIS B 2 5 ? 0.495 -9.546 20.071 1.00 24.12 ? 5 HIS B ND1 1 +ATOM 206 C CD2 . HIS B 2 5 ? 2.238 -9.059 18.835 1.00 25.98 ? 5 HIS B CD2 1 +ATOM 207 C CE1 . HIS B 2 5 ? 1.379 -8.888 20.793 1.00 24.97 ? 5 HIS B CE1 1 +ATOM 208 N NE2 . HIS B 2 5 ? 2.424 -8.599 20.041 1.00 23.29 ? 5 HIS B NE2 1 +ATOM 209 N N . LEU B 2 6 ? 0.970 -9.152 14.772 1.00 16.09 ? 6 LEU B N 1 +ATOM 210 C CA . LEU B 2 6 ? 1.907 -8.403 13.950 1.00 13.85 ? 6 LEU B CA 1 +ATOM 211 C C . LEU B 2 6 ? 1.295 -7.208 13.305 1.00 12.21 ? 6 LEU B C 1 +ATOM 212 O O . LEU B 2 6 ? 2.052 -6.315 12.922 1.00 13.37 ? 6 LEU B O 1 +ATOM 213 C CB . LEU B 2 6 ? 2.469 -9.245 12.815 1.00 13.32 ? 6 LEU B CB 1 +ATOM 214 C CG . LEU B 2 6 ? 3.843 -9.895 12.902 1.00 17.11 ? 6 LEU B CG 1 +ATOM 215 C CD1 . LEU B 2 6 ? 4.064 -10.478 14.311 1.00 12.32 ? 6 LEU B CD1 1 +ATOM 216 C CD2 . LEU B 2 6 ? 3.982 -10.910 11.737 1.00 20.53 ? 6 LEU B CD2 1 +ATOM 217 N N . CYS B 2 7 ? -0.014 -7.271 13.036 1.00 15.47 ? 7 CYS B N 1 +ATOM 218 C CA . CYS B 2 7 ? -0.734 -6.219 12.310 1.00 14.44 ? 7 CYS B CA 1 +ATOM 219 C C . CYS B 2 7 ? -1.100 -5.110 13.240 1.00 13.80 ? 7 CYS B C 1 +ATOM 220 O O . CYS B 2 7 ? -0.917 -3.960 12.817 1.00 13.08 ? 7 CYS B O 1 +ATOM 221 C CB . CYS B 2 7 ? -2.011 -6.800 11.617 1.00 19.65 ? 7 CYS B CB 1 +ATOM 222 S SG . CYS B 2 7 ? -3.279 -5.679 10.928 1.00 15.67 ? 7 CYS B SG 1 +ATOM 223 N N . GLY B 2 8 ? -1.502 -5.441 14.476 1.00 12.42 ? 8 GLY B N 1 +ATOM 224 C CA . GLY B 2 8 ? -1.707 -4.457 15.530 1.00 11.14 ? 8 GLY B CA 1 +ATOM 225 C C . GLY B 2 8 ? -0.469 -3.612 15.779 1.00 10.75 ? 8 GLY B C 1 +ATOM 226 O O . GLY B 2 8 ? -0.551 -2.423 16.145 1.00 9.38 ? 8 GLY B O 1 +ATOM 227 N N . SER B 2 9 ? 0.741 -4.174 15.563 1.00 11.22 ? 9 SER B N 1 +ATOM 228 C CA . SER B 2 9 ? 1.935 -3.345 15.707 1.00 10.97 ? 9 SER B CA 1 +ATOM 229 C C . SER B 2 9 ? 1.989 -2.364 14.549 1.00 12.60 ? 9 SER B C 1 +ATOM 230 O O . SER B 2 9 ? 2.350 -1.206 14.741 1.00 13.28 ? 9 SER B O 1 +ATOM 231 C CB . SER B 2 9 ? 3.244 -4.198 15.778 1.00 10.67 ? 9 SER B CB 1 +ATOM 232 O OG . SER B 2 9 ? 3.532 -5.306 14.904 1.00 13.81 ? 9 SER B OG 1 +ATOM 233 N N . HIS B 2 10 ? 1.564 -2.694 13.336 1.00 13.33 ? 10 HIS B N 1 +ATOM 234 C CA . HIS B 2 10 ? 1.551 -1.668 12.333 1.00 12.85 ? 10 HIS B CA 1 +ATOM 235 C C . HIS B 2 10 ? 0.349 -0.760 12.554 1.00 15.06 ? 10 HIS B C 1 +ATOM 236 O O . HIS B 2 10 ? 0.485 0.448 12.448 1.00 16.60 ? 10 HIS B O 1 +ATOM 237 C CB . HIS B 2 10 ? 1.529 -2.320 10.946 1.00 13.22 ? 10 HIS B CB 1 +ATOM 238 C CG . HIS B 2 10 ? 2.864 -2.904 10.546 1.00 10.61 ? 10 HIS B CG 1 +ATOM 239 N ND1 . HIS B 2 10 ? 3.833 -2.286 9.925 1.00 10.65 ? 10 HIS B ND1 1 +ATOM 240 C CD2 . HIS B 2 10 ? 3.288 -4.186 10.732 1.00 11.26 ? 10 HIS B CD2 1 +ATOM 241 C CE1 . HIS B 2 10 ? 4.780 -3.109 9.719 1.00 12.33 ? 10 HIS B CE1 1 +ATOM 242 N NE2 . HIS B 2 10 ? 4.474 -4.284 10.209 1.00 9.88 ? 10 HIS B NE2 1 +ATOM 243 N N . LEU B 2 11 ? -0.866 -1.212 12.844 1.00 19.04 ? 11 LEU B N 1 +ATOM 244 C CA . LEU B 2 11 ? -2.080 -0.393 13.128 1.00 17.73 ? 11 LEU B CA 1 +ATOM 245 C C . LEU B 2 11 ? -1.852 0.694 14.197 1.00 17.51 ? 11 LEU B C 1 +ATOM 246 O O . LEU B 2 11 ? -2.344 1.820 14.104 1.00 18.34 ? 11 LEU B O 1 +ATOM 247 C CB . LEU B 2 11 ? -3.208 -1.352 13.600 1.00 13.14 ? 11 LEU B CB 1 +ATOM 248 C CG . LEU B 2 11 ? -4.693 -1.209 13.331 1.00 15.25 ? 11 LEU B CG 1 +ATOM 249 C CD1 . LEU B 2 11 ? -5.363 -2.218 14.242 1.00 10.76 ? 11 LEU B CD1 1 +ATOM 250 C CD2 . LEU B 2 11 ? -5.229 0.186 13.585 1.00 10.09 ? 11 LEU B CD2 1 +ATOM 251 N N . VAL B 2 12 ? -1.074 0.429 15.228 1.00 17.42 ? 12 VAL B N 1 +ATOM 252 C CA . VAL B 2 12 ? -0.806 1.416 16.262 1.00 18.77 ? 12 VAL B CA 1 +ATOM 253 C C . VAL B 2 12 ? 0.200 2.481 15.882 1.00 17.89 ? 12 VAL B C 1 +ATOM 254 O O . VAL B 2 12 ? 0.204 3.545 16.491 1.00 23.09 ? 12 VAL B O 1 +ATOM 255 C CB . VAL B 2 12 ? -0.395 0.617 17.528 1.00 17.70 ? 12 VAL B CB 1 +ATOM 256 C CG1 . VAL B 2 12 ? 1.012 0.772 18.044 1.00 13.54 ? 12 VAL B CG1 1 +ATOM 257 C CG2 . VAL B 2 12 ? -1.397 1.100 18.508 1.00 15.45 ? 12 VAL B CG2 1 +ATOM 258 N N . GLU B 2 13 ? 1.033 2.258 14.863 1.00 18.55 ? 13 GLU B N 1 +ATOM 259 C CA . GLU B 2 13 ? 2.046 3.180 14.347 1.00 14.95 ? 13 GLU B CA 1 +ATOM 260 C C . GLU B 2 13 ? 1.300 4.087 13.361 1.00 12.50 ? 13 GLU B C 1 +ATOM 261 O O . GLU B 2 13 ? 1.466 5.313 13.395 1.00 16.52 ? 13 GLU B O 1 +ATOM 262 C CB . GLU B 2 13 ? 3.121 2.252 13.759 1.00 21.56 ? 13 GLU B CB 1 +ATOM 263 C CG . GLU B 2 13 ? 4.126 2.704 12.658 1.00 34.30 ? 13 GLU B CG 1 +ATOM 264 C CD . GLU B 2 13 ? 4.385 1.705 11.488 1.00 38.35 ? 13 GLU B CD 1 +ATOM 265 O OE1 . GLU B 2 13 ? 5.012 0.649 11.706 1.00 34.83 ? 13 GLU B OE1 1 +ATOM 266 O OE2 . GLU B 2 13 ? 3.956 2.011 10.353 1.00 40.69 ? 13 GLU B OE2 1 +ATOM 267 N N . ALA B 2 14 ? 0.371 3.609 12.531 1.00 10.83 ? 14 ALA B N 1 +ATOM 268 C CA . ALA B 2 14 ? -0.456 4.483 11.679 1.00 11.29 ? 14 ALA B CA 1 +ATOM 269 C C . ALA B 2 14 ? -1.420 5.319 12.481 1.00 12.06 ? 14 ALA B C 1 +ATOM 270 O O . ALA B 2 14 ? -1.489 6.495 12.225 1.00 14.18 ? 14 ALA B O 1 +ATOM 271 C CB . ALA B 2 14 ? -1.295 3.695 10.714 1.00 10.32 ? 14 ALA B CB 1 +ATOM 272 N N . LEU B 2 15 ? -2.188 4.788 13.438 1.00 14.58 ? 15 LEU B N 1 +ATOM 273 C CA . LEU B 2 15 ? -2.950 5.556 14.429 1.00 16.29 ? 15 LEU B CA 1 +ATOM 274 C C . LEU B 2 15 ? -2.087 6.688 14.976 1.00 15.93 ? 15 LEU B C 1 +ATOM 275 O O . LEU B 2 15 ? -2.465 7.832 14.774 1.00 14.60 ? 15 LEU B O 1 +ATOM 276 C CB . LEU B 2 15 ? -3.412 4.655 15.647 1.00 20.74 ? 15 LEU B CB 1 +ATOM 277 C CG . LEU B 2 15 ? -4.683 3.779 15.538 1.00 25.98 ? 15 LEU B CG 1 +ATOM 278 C CD1 . LEU B 2 15 ? -4.665 2.668 16.565 1.00 26.66 ? 15 LEU B CD1 1 +ATOM 279 C CD2 . LEU B 2 15 ? -5.916 4.650 15.765 1.00 23.63 ? 15 LEU B CD2 1 +ATOM 280 N N . TYR B 2 16 ? -0.888 6.433 15.561 1.00 16.05 ? 16 TYR B N 1 +ATOM 281 C CA . TYR B 2 16 ? -0.006 7.439 16.138 1.00 13.52 ? 16 TYR B CA 1 +ATOM 282 C C . TYR B 2 16 ? 0.312 8.583 15.221 1.00 13.80 ? 16 TYR B C 1 +ATOM 283 O O . TYR B 2 16 ? 0.287 9.728 15.653 1.00 17.25 ? 16 TYR B O 1 +ATOM 284 C CB . TYR B 2 16 ? 1.291 6.751 16.611 1.00 15.20 ? 16 TYR B CB 1 +ATOM 285 C CG . TYR B 2 16 ? 2.387 7.727 17.105 1.00 15.98 ? 16 TYR B CG 1 +ATOM 286 C CD1 . TYR B 2 16 ? 2.237 8.585 18.174 1.00 14.10 ? 16 TYR B CD1 1 +ATOM 287 C CD2 . TYR B 2 16 ? 3.547 7.786 16.384 1.00 15.01 ? 16 TYR B CD2 1 +ATOM 288 C CE1 . TYR B 2 16 ? 3.232 9.484 18.496 1.00 10.99 ? 16 TYR B CE1 1 +ATOM 289 C CE2 . TYR B 2 16 ? 4.533 8.671 16.700 1.00 13.29 ? 16 TYR B CE2 1 +ATOM 290 C CZ . TYR B 2 16 ? 4.375 9.518 17.751 1.00 13.39 ? 16 TYR B CZ 1 +ATOM 291 O OH . TYR B 2 16 ? 5.425 10.373 18.018 1.00 9.84 ? 16 TYR B OH 1 +ATOM 292 N N . LEU B 2 17 ? 0.607 8.267 13.961 1.00 17.10 ? 17 LEU B N 1 +ATOM 293 C CA . LEU B 2 17 ? 0.890 9.240 12.908 1.00 15.19 ? 17 LEU B CA 1 +ATOM 294 C C . LEU B 2 17 ? -0.369 9.972 12.512 1.00 17.26 ? 17 LEU B C 1 +ATOM 295 O O . LEU B 2 17 ? -0.254 11.183 12.334 1.00 18.33 ? 17 LEU B O 1 +ATOM 296 C CB . LEU B 2 17 ? 1.465 8.506 11.690 1.00 21.92 ? 17 LEU B CB 1 +ATOM 297 C CG . LEU B 2 17 ? 1.851 9.023 10.281 1.00 20.72 ? 17 LEU B CG 1 +ATOM 298 C CD1 . LEU B 2 17 ? 3.167 9.739 10.313 1.00 23.65 ? 17 LEU B CD1 1 +ATOM 299 C CD2 . LEU B 2 17 ? 2.032 7.839 9.347 1.00 15.45 ? 17 LEU B CD2 1 +ATOM 300 N N . VAL B 2 18 ? -1.574 9.361 12.382 1.00 17.83 ? 18 VAL B N 1 +ATOM 301 C CA . VAL B 2 18 ? -2.749 10.103 11.936 1.00 18.32 ? 18 VAL B CA 1 +ATOM 302 C C . VAL B 2 18 ? -3.392 10.941 13.012 1.00 19.94 ? 18 VAL B C 1 +ATOM 303 O O . VAL B 2 18 ? -3.691 12.109 12.735 1.00 21.78 ? 18 VAL B O 1 +ATOM 304 C CB . VAL B 2 18 ? -3.863 9.190 11.303 1.00 17.34 ? 18 VAL B CB 1 +ATOM 305 C CG1 . VAL B 2 18 ? -3.263 8.491 10.106 1.00 19.71 ? 18 VAL B CG1 1 +ATOM 306 C CG2 . VAL B 2 18 ? -4.356 8.108 12.200 1.00 25.29 ? 18 VAL B CG2 1 +ATOM 307 N N . CYS B 2 19 ? -3.584 10.412 14.225 1.00 20.85 ? 19 CYS B N 1 +ATOM 308 C CA . CYS B 2 19 ? -4.155 11.179 15.325 1.00 20.94 ? 19 CYS B CA 1 +ATOM 309 C C . CYS B 2 19 ? -3.235 12.334 15.640 1.00 22.38 ? 19 CYS B C 1 +ATOM 310 O O . CYS B 2 19 ? -3.639 13.506 15.642 1.00 26.33 ? 19 CYS B O 1 +ATOM 311 C CB . CYS B 2 19 ? -4.310 10.300 16.535 1.00 14.89 ? 19 CYS B CB 1 +ATOM 312 S SG . CYS B 2 19 ? -5.253 8.887 15.959 1.00 15.97 ? 19 CYS B SG 1 +ATOM 313 N N . GLY B 2 20 ? -1.971 12.046 15.871 1.00 24.01 ? 20 GLY B N 1 +ATOM 314 C CA . GLY B 2 20 ? -1.021 13.116 16.138 1.00 27.76 ? 20 GLY B CA 1 +ATOM 315 C C . GLY B 2 20 ? -1.383 13.743 17.468 1.00 29.01 ? 20 GLY B C 1 +ATOM 316 O O . GLY B 2 20 ? -1.573 13.001 18.431 1.00 33.70 ? 20 GLY B O 1 +ATOM 317 N N . GLU B 2 21 ? -1.614 15.054 17.515 1.00 30.75 ? 21 GLU B N 1 +ATOM 318 C CA . GLU B 2 21 ? -1.903 15.795 18.735 1.00 28.74 ? 21 GLU B CA 1 +ATOM 319 C C . GLU B 2 21 ? -2.927 15.256 19.740 1.00 25.49 ? 21 GLU B C 1 +ATOM 320 O O . GLU B 2 21 ? -2.709 15.287 20.957 1.00 21.84 ? 21 GLU B O 1 +ATOM 321 C CB . GLU B 2 21 ? -2.233 17.241 18.250 1.00 33.92 ? 21 GLU B CB 1 +ATOM 322 C CG . GLU B 2 21 ? -3.331 18.018 19.017 1.00 38.82 ? 21 GLU B CG 1 +ATOM 323 C CD . GLU B 2 21 ? -3.108 19.510 19.265 1.00 42.58 ? 21 GLU B CD 1 +ATOM 324 O OE1 . GLU B 2 21 ? -2.998 20.275 18.281 1.00 44.57 ? 21 GLU B OE1 1 +ATOM 325 O OE2 . GLU B 2 21 ? -3.076 19.887 20.457 1.00 41.30 ? 21 GLU B OE2 1 +ATOM 326 N N . ARG B 2 22 ? -4.015 14.689 19.240 1.00 24.83 ? 22 ARG B N 1 +ATOM 327 C CA . ARG B 2 22 ? -5.129 14.250 20.111 1.00 20.15 ? 22 ARG B CA 1 +ATOM 328 C C . ARG B 2 22 ? -4.902 12.985 20.900 1.00 16.55 ? 22 ARG B C 1 +ATOM 329 O O . ARG B 2 22 ? -5.692 12.641 21.751 1.00 13.80 ? 22 ARG B O 1 +ATOM 330 C CB . ARG B 2 22 ? -6.352 14.096 19.235 1.00 22.05 ? 22 ARG B CB 1 +ATOM 331 C CG . ARG B 2 22 ? -6.432 15.132 18.101 1.00 22.84 ? 22 ARG B CG 1 +ATOM 332 C CD . ARG B 2 22 ? -7.720 14.725 17.458 1.00 29.22 ? 22 ARG B CD 1 +ATOM 333 N NE . ARG B 2 22 ? -7.634 14.326 16.072 1.00 33.22 ? 22 ARG B NE 1 +ATOM 334 C CZ . ARG B 2 22 ? -8.717 13.772 15.487 1.00 39.57 ? 22 ARG B CZ 1 +ATOM 335 N NH1 . ARG B 2 22 ? -9.838 13.579 16.206 1.00 38.83 ? 22 ARG B NH1 1 +ATOM 336 N NH2 . ARG B 2 22 ? -8.727 13.475 14.164 1.00 37.24 ? 22 ARG B NH2 1 +ATOM 337 N N . GLY B 2 23 ? -3.780 12.320 20.637 1.00 14.41 ? 23 GLY B N 1 +ATOM 338 C CA . GLY B 2 23 ? -3.345 11.101 21.288 1.00 13.81 ? 23 GLY B CA 1 +ATOM 339 C C . GLY B 2 23 ? -4.169 9.992 20.759 1.00 19.49 ? 23 GLY B C 1 +ATOM 340 O O . GLY B 2 23 ? -4.697 10.133 19.659 1.00 24.97 ? 23 GLY B O 1 +ATOM 341 N N . PHE B 2 24 ? -4.313 8.845 21.421 1.00 20.13 ? 24 PHE B N 1 +ATOM 342 C CA . PHE B 2 24 ? -5.302 7.871 20.980 1.00 17.26 ? 24 PHE B CA 1 +ATOM 343 C C . PHE B 2 24 ? -5.519 6.798 22.043 1.00 18.72 ? 24 PHE B C 1 +ATOM 344 O O . PHE B 2 24 ? -4.919 6.827 23.095 1.00 20.04 ? 24 PHE B O 1 +ATOM 345 C CB . PHE B 2 24 ? -4.903 7.222 19.613 1.00 16.03 ? 24 PHE B CB 1 +ATOM 346 C CG . PHE B 2 24 ? -3.601 6.469 19.475 1.00 10.58 ? 24 PHE B CG 1 +ATOM 347 C CD1 . PHE B 2 24 ? -2.456 7.140 19.255 1.00 11.56 ? 24 PHE B CD1 1 +ATOM 348 C CD2 . PHE B 2 24 ? -3.595 5.107 19.552 1.00 10.79 ? 24 PHE B CD2 1 +ATOM 349 C CE1 . PHE B 2 24 ? -1.304 6.441 19.146 1.00 11.01 ? 24 PHE B CE1 1 +ATOM 350 C CE2 . PHE B 2 24 ? -2.440 4.409 19.441 1.00 11.27 ? 24 PHE B CE2 1 +ATOM 351 C CZ . PHE B 2 24 ? -1.293 5.087 19.226 1.00 11.89 ? 24 PHE B CZ 1 +ATOM 352 N N . PHE B 2 25 ? -6.363 5.832 21.763 1.00 20.65 ? 25 PHE B N 1 +ATOM 353 C CA . PHE B 2 25 ? -6.799 4.800 22.640 1.00 18.92 ? 25 PHE B CA 1 +ATOM 354 C C . PHE B 2 25 ? -6.617 3.562 21.834 1.00 15.50 ? 25 PHE B C 1 +ATOM 355 O O . PHE B 2 25 ? -7.133 3.442 20.739 1.00 13.59 ? 25 PHE B O 1 +ATOM 356 C CB . PHE B 2 25 ? -8.282 4.975 23.001 1.00 29.08 ? 25 PHE B CB 1 +ATOM 357 C CG . PHE B 2 25 ? -9.155 5.634 21.914 1.00 37.49 ? 25 PHE B CG 1 +ATOM 358 C CD1 . PHE B 2 25 ? -9.177 7.027 21.778 1.00 39.32 ? 25 PHE B CD1 1 +ATOM 359 C CD2 . PHE B 2 25 ? -9.939 4.871 21.055 1.00 42.49 ? 25 PHE B CD2 1 +ATOM 360 C CE1 . PHE B 2 25 ? -9.962 7.643 20.810 1.00 41.83 ? 25 PHE B CE1 1 +ATOM 361 C CE2 . PHE B 2 25 ? -10.727 5.489 20.082 1.00 42.68 ? 25 PHE B CE2 1 +ATOM 362 C CZ . PHE B 2 25 ? -10.738 6.875 19.960 1.00 44.11 ? 25 PHE B CZ 1 +ATOM 363 N N . TYR B 2 26 ? -5.872 2.619 22.331 1.00 13.86 ? 26 TYR B N 1 +ATOM 364 C CA . TYR B 2 26 ? -5.809 1.377 21.652 1.00 15.70 ? 26 TYR B CA 1 +ATOM 365 C C . TYR B 2 26 ? -6.245 0.271 22.601 1.00 19.74 ? 26 TYR B C 1 +ATOM 366 O O . TYR B 2 26 ? -5.664 0.058 23.658 1.00 25.47 ? 26 TYR B O 1 +ATOM 367 C CB . TYR B 2 26 ? -4.373 1.153 21.122 1.00 11.04 ? 26 TYR B CB 1 +ATOM 368 C CG . TYR B 2 26 ? -4.208 -0.200 20.431 1.00 11.24 ? 26 TYR B CG 1 +ATOM 369 C CD1 . TYR B 2 26 ? -4.711 -0.430 19.170 1.00 13.27 ? 26 TYR B CD1 1 +ATOM 370 C CD2 . TYR B 2 26 ? -3.627 -1.244 21.103 1.00 10.75 ? 26 TYR B CD2 1 +ATOM 371 C CE1 . TYR B 2 26 ? -4.634 -1.688 18.608 1.00 10.76 ? 26 TYR B CE1 1 +ATOM 372 C CE2 . TYR B 2 26 ? -3.556 -2.496 20.532 1.00 12.08 ? 26 TYR B CE2 1 +ATOM 373 C CZ . TYR B 2 26 ? -4.084 -2.717 19.289 1.00 12.31 ? 26 TYR B CZ 1 +ATOM 374 O OH . TYR B 2 26 ? -4.136 -3.997 18.793 1.00 12.07 ? 26 TYR B OH 1 +ATOM 375 N N . THR B 2 27 ? -7.261 -0.469 22.187 1.00 24.27 ? 27 THR B N 1 +ATOM 376 C CA . THR B 2 27 ? -7.687 -1.727 22.811 1.00 26.32 ? 27 THR B CA 1 +ATOM 377 C C . THR B 2 27 ? -7.791 -2.832 21.759 1.00 25.11 ? 27 THR B C 1 +ATOM 378 O O . THR B 2 27 ? -8.379 -2.555 20.720 1.00 27.68 ? 27 THR B O 1 +ATOM 379 C CB . THR B 2 27 ? -9.026 -1.520 23.463 1.00 28.26 ? 27 THR B CB 1 +ATOM 380 O OG1 . THR B 2 27 ? -9.359 -0.112 23.427 1.00 29.85 ? 27 THR B OG1 1 +ATOM 381 C CG2 . THR B 2 27 ? -8.948 -2.039 24.907 1.00 34.83 ? 27 THR B CG2 1 +ATOM 382 N N . PRO B 2 28 ? -7.249 -4.038 21.827 1.00 24.51 ? 28 PRO B N 1 +ATOM 383 C CA . PRO B 2 28 ? -7.506 -5.092 20.815 1.00 27.36 ? 28 PRO B CA 1 +ATOM 384 C C . PRO B 2 28 ? -8.951 -5.555 20.430 1.00 31.07 ? 28 PRO B C 1 +ATOM 385 O O . PRO B 2 28 ? -9.457 -5.383 19.299 1.00 31.35 ? 28 PRO B O 1 +ATOM 386 C CB . PRO B 2 28 ? -6.599 -6.218 21.343 1.00 26.39 ? 28 PRO B CB 1 +ATOM 387 C CG . PRO B 2 28 ? -5.440 -5.536 22.068 1.00 22.31 ? 28 PRO B CG 1 +ATOM 388 C CD . PRO B 2 28 ? -6.120 -4.333 22.701 1.00 22.36 ? 28 PRO B CD 1 +ATOM 389 N N . LYS B 2 29 ? -9.628 -6.157 21.436 1.00 35.12 ? 29 LYS B N 1 +ATOM 390 C CA . LYS B 2 29 ? -11.001 -6.716 21.488 1.00 35.78 ? 29 LYS B CA 1 +ATOM 391 C C . LYS B 2 29 ? -12.109 -5.723 21.151 1.00 36.49 ? 29 LYS B C 1 +ATOM 392 O O . LYS B 2 29 ? -11.838 -4.616 20.673 1.00 35.25 ? 29 LYS B O 1 +ATOM 393 C CB . LYS B 2 29 ? -11.273 -7.243 22.920 1.00 36.56 ? 29 LYS B CB 1 +ATOM 394 C CG . LYS B 2 29 ? -11.191 -6.049 23.929 1.00 34.81 ? 29 LYS B CG 1 +ATOM 395 C CD . LYS B 2 29 ? -11.925 -5.986 25.279 1.00 30.03 ? 29 LYS B CD 1 +ATOM 396 C CE . LYS B 2 29 ? -11.514 -4.651 25.979 1.00 30.15 ? 29 LYS B CE 1 +ATOM 397 N NZ . LYS B 2 29 ? -10.076 -4.595 26.305 1.00 31.86 ? 29 LYS B NZ 1 +ATOM 398 N N . ALA B 2 30 ? -13.352 -6.124 21.468 1.00 37.76 ? 30 ALA B N 1 +ATOM 399 C CA . ALA B 2 30 ? -14.590 -5.336 21.392 1.00 36.89 ? 30 ALA B CA 1 +ATOM 400 C C . ALA B 2 30 ? -14.955 -5.043 19.930 1.00 36.93 ? 30 ALA B C 1 +ATOM 401 O O . ALA B 2 30 ? -14.771 -5.924 19.082 1.00 36.72 ? 30 ALA B O 1 +ATOM 402 C CB . ALA B 2 30 ? -14.390 -4.027 22.216 1.00 35.84 ? 30 ALA B CB 1 +ATOM 403 O OXT . ALA B 2 30 ? -15.326 -3.920 19.596 1.00 37.53 ? 30 ALA B OXT 1 +ATOM 404 N N . GLY C 1 1 ? 2.818 14.800 30.044 1.00 37.04 ? 1 GLY C N 1 +ATOM 405 C CA . GLY C 1 1 ? 2.828 13.651 29.129 1.00 37.60 ? 1 GLY C CA 1 +ATOM 406 C C . GLY C 1 1 ? 4.081 12.735 29.207 1.00 35.71 ? 1 GLY C C 1 +ATOM 407 O O . GLY C 1 1 ? 5.159 13.157 29.659 1.00 33.98 ? 1 GLY C O 1 +ATOM 408 N N . ILE C 1 2 ? 3.938 11.505 28.667 1.00 31.02 ? 2 ILE C N 1 +ATOM 409 C CA . ILE C 1 2 ? 4.932 10.400 28.678 1.00 27.11 ? 2 ILE C CA 1 +ATOM 410 C C . ILE C 1 2 ? 6.297 10.747 28.165 1.00 27.08 ? 2 ILE C C 1 +ATOM 411 O O . ILE C 1 2 ? 7.326 10.182 28.498 1.00 26.17 ? 2 ILE C O 1 +ATOM 412 C CB . ILE C 1 2 ? 4.608 9.138 27.783 1.00 23.72 ? 2 ILE C CB 1 +ATOM 413 C CG1 . ILE C 1 2 ? 3.117 8.860 27.661 1.00 16.63 ? 2 ILE C CG1 1 +ATOM 414 C CG2 . ILE C 1 2 ? 5.403 7.957 28.370 1.00 24.65 ? 2 ILE C CG2 1 +ATOM 415 C CD1 . ILE C 1 2 ? 2.794 7.456 27.217 1.00 19.15 ? 2 ILE C CD1 1 +ATOM 416 N N . VAL C 1 3 ? 6.152 11.552 27.141 1.00 28.47 ? 3 VAL C N 1 +ATOM 417 C CA . VAL C 1 3 ? 7.252 11.998 26.370 1.00 28.64 ? 3 VAL C CA 1 +ATOM 418 C C . VAL C 1 3 ? 8.099 12.822 27.312 1.00 29.12 ? 3 VAL C C 1 +ATOM 419 O O . VAL C 1 3 ? 9.218 12.359 27.352 1.00 30.28 ? 3 VAL C O 1 +ATOM 420 C CB . VAL C 1 3 ? 6.630 12.670 25.065 1.00 27.05 ? 3 VAL C CB 1 +ATOM 421 C CG1 . VAL C 1 3 ? 5.234 13.254 25.256 1.00 27.78 ? 3 VAL C CG1 1 +ATOM 422 C CG2 . VAL C 1 3 ? 7.555 13.751 24.613 1.00 27.05 ? 3 VAL C CG2 1 +ATOM 423 N N . GLU C 1 4 ? 7.878 13.851 28.146 1.00 33.43 ? 4 GLU C N 1 +ATOM 424 C CA . GLU C 1 4 ? 8.986 14.327 29.019 1.00 35.60 ? 4 GLU C CA 1 +ATOM 425 C C . GLU C 1 4 ? 9.407 13.227 30.068 1.00 37.60 ? 4 GLU C C 1 +ATOM 426 O O . GLU C 1 4 ? 10.572 13.261 30.474 1.00 39.11 ? 4 GLU C O 1 +ATOM 427 C CB . GLU C 1 4 ? 8.587 15.632 29.759 1.00 37.98 ? 4 GLU C CB 1 +ATOM 428 C CG . GLU C 1 4 ? 9.757 16.649 30.085 1.00 41.62 ? 4 GLU C CG 1 +ATOM 429 C CD . GLU C 1 4 ? 9.795 17.447 31.460 1.00 42.74 ? 4 GLU C CD 1 +ATOM 430 O OE1 . GLU C 1 4 ? 8.780 17.619 32.171 1.00 45.43 ? 4 GLU C OE1 1 +ATOM 431 O OE2 . GLU C 1 4 ? 10.876 17.937 31.843 1.00 41.57 ? 4 GLU C OE2 1 +ATOM 432 N N . GLN C 1 5 ? 8.668 12.151 30.502 1.00 35.82 ? 5 GLN C N 1 +ATOM 433 C CA . GLN C 1 5 ? 9.182 11.139 31.456 1.00 31.92 ? 5 GLN C CA 1 +ATOM 434 C C . GLN C 1 5 ? 10.051 10.029 30.860 1.00 31.53 ? 5 GLN C C 1 +ATOM 435 O O . GLN C 1 5 ? 10.940 9.493 31.537 1.00 31.11 ? 5 GLN C O 1 +ATOM 436 C CB . GLN C 1 5 ? 8.058 10.423 32.166 1.00 34.01 ? 5 GLN C CB 1 +ATOM 437 C CG . GLN C 1 5 ? 8.092 10.247 33.697 1.00 40.98 ? 5 GLN C CG 1 +ATOM 438 C CD . GLN C 1 5 ? 9.399 9.817 34.393 1.00 43.35 ? 5 GLN C CD 1 +ATOM 439 O OE1 . GLN C 1 5 ? 9.769 10.355 35.452 1.00 44.36 ? 5 GLN C OE1 1 +ATOM 440 N NE2 . GLN C 1 5 ? 10.177 8.865 33.904 1.00 45.42 ? 5 GLN C NE2 1 +ATOM 441 N N . CYS C 1 6 ? 9.747 9.586 29.621 1.00 30.69 ? 6 CYS C N 1 +ATOM 442 C CA . CYS C 1 6 ? 10.504 8.537 28.972 1.00 27.09 ? 6 CYS C CA 1 +ATOM 443 C C . CYS C 1 6 ? 11.215 8.985 27.741 1.00 26.22 ? 6 CYS C C 1 +ATOM 444 O O . CYS C 1 6 ? 12.082 8.256 27.253 1.00 21.15 ? 6 CYS C O 1 +ATOM 445 C CB . CYS C 1 6 ? 9.650 7.402 28.599 1.00 27.91 ? 6 CYS C CB 1 +ATOM 446 S SG . CYS C 1 6 ? 8.779 6.773 30.075 1.00 32.34 ? 6 CYS C SG 1 +ATOM 447 N N . CYS C 1 7 ? 10.948 10.230 27.308 1.00 23.89 ? 7 CYS C N 1 +ATOM 448 C CA . CYS C 1 7 ? 11.744 10.796 26.217 1.00 28.53 ? 7 CYS C CA 1 +ATOM 449 C C . CYS C 1 7 ? 12.799 11.807 26.716 1.00 30.53 ? 7 CYS C C 1 +ATOM 450 O O . CYS C 1 7 ? 13.129 12.833 26.099 1.00 34.32 ? 7 CYS C O 1 +ATOM 451 C CB . CYS C 1 7 ? 10.909 11.539 25.172 1.00 26.46 ? 7 CYS C CB 1 +ATOM 452 S SG . CYS C 1 7 ? 9.743 10.462 24.455 1.00 30.71 ? 7 CYS C SG 1 +ATOM 453 N N . THR C 1 8 ? 13.345 11.557 27.907 1.00 32.59 ? 8 THR C N 1 +ATOM 454 C CA . THR C 1 8 ? 14.409 12.359 28.486 1.00 32.71 ? 8 THR C CA 1 +ATOM 455 C C . THR C 1 8 ? 15.393 11.316 28.962 1.00 32.52 ? 8 THR C C 1 +ATOM 456 O O . THR C 1 8 ? 16.422 11.047 28.335 1.00 32.88 ? 8 THR C O 1 +ATOM 457 C CB . THR C 1 8 ? 13.816 13.271 29.632 1.00 34.67 ? 8 THR C CB 1 +ATOM 458 O OG1 . THR C 1 8 ? 13.011 12.445 30.459 1.00 35.75 ? 8 THR C OG1 1 +ATOM 459 C CG2 . THR C 1 8 ? 13.059 14.449 29.062 1.00 35.60 ? 8 THR C CG2 1 +ATOM 460 N N . SER C 1 9 ? 14.983 10.641 30.022 1.00 35.27 ? 9 SER C N 1 +ATOM 461 C CA . SER C 1 9 ? 15.695 9.522 30.625 1.00 36.32 ? 9 SER C CA 1 +ATOM 462 C C . SER C 1 9 ? 14.851 8.222 30.416 1.00 35.43 ? 9 SER C C 1 +ATOM 463 O O . SER C 1 9 ? 13.613 8.190 30.560 1.00 35.85 ? 9 SER C O 1 +ATOM 464 C CB . SER C 1 9 ? 15.916 9.903 32.114 1.00 36.19 ? 9 SER C CB 1 +ATOM 465 O OG . SER C 1 9 ? 16.976 10.832 32.412 1.00 39.35 ? 9 SER C OG 1 +ATOM 466 N N . ILE C 1 10 ? 15.570 7.163 30.050 1.00 30.21 ? 10 ILE C N 1 +ATOM 467 C CA . ILE C 1 10 ? 15.003 5.855 29.745 1.00 26.77 ? 10 ILE C CA 1 +ATOM 468 C C . ILE C 1 10 ? 14.077 5.325 30.844 1.00 27.05 ? 10 ILE C C 1 +ATOM 469 O O . ILE C 1 10 ? 14.430 5.405 32.033 1.00 27.86 ? 10 ILE C O 1 +ATOM 470 C CB . ILE C 1 10 ? 16.137 4.842 29.492 1.00 24.51 ? 10 ILE C CB 1 +ATOM 471 C CG1 . ILE C 1 10 ? 17.142 5.405 28.578 1.00 28.63 ? 10 ILE C CG1 1 +ATOM 472 C CG2 . ILE C 1 10 ? 15.619 3.647 28.794 1.00 20.42 ? 10 ILE C CG2 1 +ATOM 473 C CD1 . ILE C 1 10 ? 18.596 4.994 28.965 1.00 35.11 ? 10 ILE C CD1 1 +ATOM 474 N N . CYS C 1 11 ? 12.919 4.802 30.400 1.00 26.73 ? 11 CYS C N 1 +ATOM 475 C CA . CYS C 1 11 ? 11.887 4.123 31.152 1.00 20.20 ? 11 CYS C CA 1 +ATOM 476 C C . CYS C 1 11 ? 11.939 2.633 30.894 1.00 20.61 ? 11 CYS C C 1 +ATOM 477 O O . CYS C 1 11 ? 12.363 2.025 29.905 1.00 22.77 ? 11 CYS C O 1 +ATOM 478 C CB . CYS C 1 11 ? 10.534 4.589 30.786 1.00 17.88 ? 11 CYS C CB 1 +ATOM 479 S SG . CYS C 1 11 ? 10.167 6.231 31.418 1.00 27.78 ? 11 CYS C SG 1 +ATOM 480 N N . SER C 1 12 ? 11.488 2.030 31.957 1.00 21.07 ? 12 SER C N 1 +ATOM 481 C CA . SER C 1 12 ? 11.596 0.620 32.148 1.00 19.48 ? 12 SER C CA 1 +ATOM 482 C C . SER C 1 12 ? 10.311 0.037 31.627 1.00 19.62 ? 12 SER C C 1 +ATOM 483 O O . SER C 1 12 ? 9.302 0.713 31.412 1.00 13.72 ? 12 SER C O 1 +ATOM 484 C CB . SER C 1 12 ? 11.822 0.481 33.673 1.00 21.18 ? 12 SER C CB 1 +ATOM 485 O OG . SER C 1 12 ? 11.854 -0.822 34.219 1.00 24.84 ? 12 SER C OG 1 +ATOM 486 N N . LEU C 1 13 ? 10.410 -1.276 31.582 1.00 22.71 ? 13 LEU C N 1 +ATOM 487 C CA . LEU C 1 13 ? 9.287 -2.165 31.300 1.00 27.18 ? 13 LEU C CA 1 +ATOM 488 C C . LEU C 1 13 ? 8.178 -1.997 32.326 1.00 26.85 ? 13 LEU C C 1 +ATOM 489 O O . LEU C 1 13 ? 6.977 -2.048 32.039 1.00 29.82 ? 13 LEU C O 1 +ATOM 490 C CB . LEU C 1 13 ? 9.698 -3.651 31.357 1.00 30.91 ? 13 LEU C CB 1 +ATOM 491 C CG . LEU C 1 13 ? 10.682 -4.290 30.367 1.00 34.59 ? 13 LEU C CG 1 +ATOM 492 C CD1 . LEU C 1 13 ? 11.274 -5.605 30.985 1.00 36.17 ? 13 LEU C CD1 1 +ATOM 493 C CD2 . LEU C 1 13 ? 9.954 -4.474 29.019 1.00 31.58 ? 13 LEU C CD2 1 +ATOM 494 N N . TYR C 1 14 ? 8.650 -1.765 33.553 1.00 23.09 ? 14 TYR C N 1 +ATOM 495 C CA . TYR C 1 14 ? 7.776 -1.639 34.689 1.00 18.67 ? 14 TYR C CA 1 +ATOM 496 C C . TYR C 1 14 ? 7.333 -0.195 34.778 1.00 19.27 ? 14 TYR C C 1 +ATOM 497 O O . TYR C 1 14 ? 6.278 0.093 35.304 1.00 19.90 ? 14 TYR C O 1 +ATOM 498 C CB . TYR C 1 14 ? 8.544 -2.097 35.896 1.00 15.50 ? 14 TYR C CB 1 +ATOM 499 C CG . TYR C 1 14 ? 9.142 -3.476 35.702 1.00 11.47 ? 14 TYR C CG 1 +ATOM 500 C CD1 . TYR C 1 14 ? 10.327 -3.605 35.033 1.00 10.98 ? 14 TYR C CD1 1 +ATOM 501 C CD2 . TYR C 1 14 ? 8.508 -4.591 36.175 1.00 15.14 ? 14 TYR C CD2 1 +ATOM 502 C CE1 . TYR C 1 14 ? 10.884 -4.834 34.828 1.00 12.46 ? 14 TYR C CE1 1 +ATOM 503 C CE2 . TYR C 1 14 ? 9.078 -5.834 35.972 1.00 13.97 ? 14 TYR C CE2 1 +ATOM 504 C CZ . TYR C 1 14 ? 10.270 -5.958 35.303 1.00 12.82 ? 14 TYR C CZ 1 +ATOM 505 O OH . TYR C 1 14 ? 10.912 -7.194 35.197 1.00 20.08 ? 14 TYR C OH 1 +ATOM 506 N N . GLN C 1 15 ? 8.081 0.775 34.271 1.00 22.02 ? 15 GLN C N 1 +ATOM 507 C CA . GLN C 1 15 ? 7.625 2.163 34.228 1.00 22.86 ? 15 GLN C CA 1 +ATOM 508 C C . GLN C 1 15 ? 6.704 2.423 33.023 1.00 23.48 ? 15 GLN C C 1 +ATOM 509 O O . GLN C 1 15 ? 5.848 3.296 33.033 1.00 22.29 ? 15 GLN C O 1 +ATOM 510 C CB . GLN C 1 15 ? 8.846 3.067 34.160 1.00 24.28 ? 15 GLN C CB 1 +ATOM 511 C CG . GLN C 1 15 ? 9.080 4.000 35.335 1.00 24.23 ? 15 GLN C CG 1 +ATOM 512 C CD . GLN C 1 15 ? 7.977 5.050 35.496 1.00 31.63 ? 15 GLN C CD 1 +ATOM 513 O OE1 . GLN C 1 15 ? 8.244 6.231 35.326 1.00 37.26 ? 15 GLN C OE1 1 +ATOM 514 N NE2 . GLN C 1 15 ? 6.717 4.802 35.846 1.00 35.04 ? 15 GLN C NE2 1 +ATOM 515 N N . LEU C 1 16 ? 6.831 1.668 31.933 1.00 26.23 ? 16 LEU C N 1 +ATOM 516 C CA . LEU C 1 16 ? 6.061 1.866 30.696 1.00 27.12 ? 16 LEU C CA 1 +ATOM 517 C C . LEU C 1 16 ? 4.607 1.649 31.016 1.00 26.01 ? 16 LEU C C 1 +ATOM 518 O O . LEU C 1 16 ? 3.714 2.421 30.727 1.00 31.47 ? 16 LEU C O 1 +ATOM 519 C CB . LEU C 1 16 ? 6.585 0.849 29.643 1.00 26.45 ? 16 LEU C CB 1 +ATOM 520 C CG . LEU C 1 16 ? 7.135 1.213 28.223 1.00 22.62 ? 16 LEU C CG 1 +ATOM 521 C CD1 . LEU C 1 16 ? 8.138 2.358 28.316 1.00 15.33 ? 16 LEU C CD1 1 +ATOM 522 C CD2 . LEU C 1 16 ? 7.715 -0.047 27.588 1.00 14.82 ? 16 LEU C CD2 1 +ATOM 523 N N . GLU C 1 17 ? 4.478 0.622 31.827 1.00 27.14 ? 17 GLU C N 1 +ATOM 524 C CA . GLU C 1 17 ? 3.264 0.092 32.433 1.00 25.16 ? 17 GLU C CA 1 +ATOM 525 C C . GLU C 1 17 ? 2.364 0.993 33.271 1.00 23.86 ? 17 GLU C C 1 +ATOM 526 O O . GLU C 1 17 ? 1.287 0.636 33.739 1.00 23.31 ? 17 GLU C O 1 +ATOM 527 C CB . GLU C 1 17 ? 3.713 -1.045 33.252 1.00 26.05 ? 17 GLU C CB 1 +ATOM 528 C CG . GLU C 1 17 ? 2.902 -2.272 32.964 1.00 32.81 ? 17 GLU C CG 1 +ATOM 529 C CD . GLU C 1 17 ? 2.717 -3.093 34.236 1.00 33.82 ? 17 GLU C CD 1 +ATOM 530 O OE1 . GLU C 1 17 ? 2.312 -2.497 35.242 1.00 35.48 ? 17 GLU C OE1 1 +ATOM 531 O OE2 . GLU C 1 17 ? 2.996 -4.298 34.214 1.00 31.39 ? 17 GLU C OE2 1 +ATOM 532 N N . ASN C 1 18 ? 2.815 2.185 33.565 1.00 24.41 ? 18 ASN C N 1 +ATOM 533 C CA . ASN C 1 18 ? 1.983 3.116 34.248 1.00 23.86 ? 18 ASN C CA 1 +ATOM 534 C C . ASN C 1 18 ? 0.980 3.491 33.161 1.00 24.21 ? 18 ASN C C 1 +ATOM 535 O O . ASN C 1 18 ? -0.194 3.179 33.279 1.00 22.65 ? 18 ASN C O 1 +ATOM 536 C CB . ASN C 1 18 ? 2.829 4.334 34.710 1.00 27.82 ? 18 ASN C CB 1 +ATOM 537 C CG . ASN C 1 18 ? 3.680 4.236 36.001 1.00 30.73 ? 18 ASN C CG 1 +ATOM 538 O OD1 . ASN C 1 18 ? 4.418 3.280 36.301 1.00 28.45 ? 18 ASN C OD1 1 +ATOM 539 N ND2 . ASN C 1 18 ? 3.633 5.300 36.810 1.00 30.18 ? 18 ASN C ND2 1 +ATOM 540 N N . TYR C 1 19 ? 1.428 4.017 32.015 1.00 26.34 ? 19 TYR C N 1 +ATOM 541 C CA . TYR C 1 19 ? 0.578 4.613 31.004 1.00 27.42 ? 19 TYR C CA 1 +ATOM 542 C C . TYR C 1 19 ? 0.414 3.517 29.997 1.00 27.80 ? 19 TYR C C 1 +ATOM 543 O O . TYR C 1 19 ? 0.942 3.484 28.878 1.00 30.20 ? 19 TYR C O 1 +ATOM 544 C CB . TYR C 1 19 ? 1.215 5.826 30.338 1.00 30.79 ? 19 TYR C CB 1 +ATOM 545 C CG . TYR C 1 19 ? 2.181 6.695 31.153 1.00 35.72 ? 19 TYR C CG 1 +ATOM 546 C CD1 . TYR C 1 19 ? 3.387 6.144 31.601 1.00 39.76 ? 19 TYR C CD1 1 +ATOM 547 C CD2 . TYR C 1 19 ? 1.926 8.041 31.413 1.00 34.65 ? 19 TYR C CD2 1 +ATOM 548 C CE1 . TYR C 1 19 ? 4.329 6.908 32.287 1.00 42.09 ? 19 TYR C CE1 1 +ATOM 549 C CE2 . TYR C 1 19 ? 2.868 8.813 32.091 1.00 38.03 ? 19 TYR C CE2 1 +ATOM 550 C CZ . TYR C 1 19 ? 4.063 8.238 32.515 1.00 42.00 ? 19 TYR C CZ 1 +ATOM 551 O OH . TYR C 1 19 ? 5.063 8.993 33.101 1.00 45.24 ? 19 TYR C OH 1 +ATOM 552 N N . CYS C 1 20 ? -0.475 2.692 30.524 1.00 26.99 ? 20 CYS C N 1 +ATOM 553 C CA . CYS C 1 20 ? -0.890 1.373 30.051 1.00 27.47 ? 20 CYS C CA 1 +ATOM 554 C C . CYS C 1 20 ? -2.340 1.349 30.594 1.00 32.17 ? 20 CYS C C 1 +ATOM 555 O O . CYS C 1 20 ? -2.934 2.456 30.796 1.00 31.43 ? 20 CYS C O 1 +ATOM 556 C CB . CYS C 1 20 ? -0.043 0.387 30.751 1.00 25.28 ? 20 CYS C CB 1 +ATOM 557 S SG . CYS C 1 20 ? -0.060 -1.332 30.321 1.00 17.81 ? 20 CYS C SG 1 +ATOM 558 N N . ASN C 1 21 ? -2.978 0.181 30.849 1.00 33.53 ? 21 ASN C N 1 +ATOM 559 C CA . ASN C 1 21 ? -4.342 0.125 31.438 1.00 35.60 ? 21 ASN C CA 1 +ATOM 560 C C . ASN C 1 21 ? -4.558 -1.032 32.442 1.00 34.45 ? 21 ASN C C 1 +ATOM 561 O O . ASN C 1 21 ? -4.104 -0.912 33.583 1.00 35.28 ? 21 ASN C O 1 +ATOM 562 C CB . ASN C 1 21 ? -5.383 0.074 30.272 1.00 33.11 ? 21 ASN C CB 1 +ATOM 563 C CG . ASN C 1 21 ? -6.009 1.419 29.909 1.00 31.31 ? 21 ASN C CG 1 +ATOM 564 O OD1 . ASN C 1 21 ? -6.935 1.533 29.101 1.00 34.65 ? 21 ASN C OD1 1 +ATOM 565 N ND2 . ASN C 1 21 ? -5.587 2.541 30.458 1.00 29.96 ? 21 ASN C ND2 1 +ATOM 566 O OXT . ASN C 1 21 ? -5.133 -2.073 32.123 1.00 37.70 ? 21 ASN C OXT 1 +ATOM 567 N N . PHE D 2 1 ? 9.158 19.035 18.998 1.00 45.34 ? 1 PHE D N 1 +ATOM 568 C CA . PHE D 2 1 ? 8.799 18.683 17.641 1.00 44.14 ? 1 PHE D CA 1 +ATOM 569 C C . PHE D 2 1 ? 9.950 18.233 16.686 1.00 43.51 ? 1 PHE D C 1 +ATOM 570 O O . PHE D 2 1 ? 9.740 18.429 15.487 1.00 47.05 ? 1 PHE D O 1 +ATOM 571 C CB . PHE D 2 1 ? 8.037 19.908 17.060 1.00 39.87 ? 1 PHE D CB 1 +ATOM 572 C CG . PHE D 2 1 ? 8.790 21.235 16.854 1.00 38.09 ? 1 PHE D CG 1 +ATOM 573 C CD1 . PHE D 2 1 ? 9.768 21.385 15.861 1.00 34.54 ? 1 PHE D CD1 1 +ATOM 574 C CD2 . PHE D 2 1 ? 8.397 22.352 17.584 1.00 36.50 ? 1 PHE D CD2 1 +ATOM 575 C CE1 . PHE D 2 1 ? 10.327 22.621 15.596 1.00 33.14 ? 1 PHE D CE1 1 +ATOM 576 C CE2 . PHE D 2 1 ? 8.973 23.591 17.305 1.00 35.63 ? 1 PHE D CE2 1 +ATOM 577 C CZ . PHE D 2 1 ? 9.924 23.725 16.311 1.00 33.92 ? 1 PHE D CZ 1 +ATOM 578 N N . VAL D 2 2 ? 11.143 17.687 16.995 1.00 41.35 ? 2 VAL D N 1 +ATOM 579 C CA . VAL D 2 2 ? 12.050 17.288 15.917 1.00 37.63 ? 2 VAL D CA 1 +ATOM 580 C C . VAL D 2 2 ? 12.452 15.837 16.047 1.00 35.03 ? 2 VAL D C 1 +ATOM 581 O O . VAL D 2 2 ? 12.451 15.105 15.050 1.00 34.17 ? 2 VAL D O 1 +ATOM 582 C CB . VAL D 2 2 ? 13.331 18.248 15.850 1.00 38.01 ? 2 VAL D CB 1 +ATOM 583 C CG1 . VAL D 2 2 ? 13.565 18.919 17.201 1.00 38.87 ? 2 VAL D CG1 1 +ATOM 584 C CG2 . VAL D 2 2 ? 14.619 17.475 15.421 1.00 40.33 ? 2 VAL D CG2 1 +ATOM 585 N N . ASN D 2 3 ? 12.681 15.501 17.343 1.00 32.38 ? 3 ASN D N 1 +ATOM 586 C CA . ASN D 2 3 ? 13.154 14.222 17.911 1.00 31.33 ? 3 ASN D CA 1 +ATOM 587 C C . ASN D 2 3 ? 12.084 13.496 18.805 1.00 27.64 ? 3 ASN D C 1 +ATOM 588 O O . ASN D 2 3 ? 11.933 12.263 18.860 1.00 25.76 ? 3 ASN D O 1 +ATOM 589 C CB . ASN D 2 3 ? 14.476 14.456 18.754 1.00 33.42 ? 3 ASN D CB 1 +ATOM 590 C CG . ASN D 2 3 ? 15.773 15.082 18.117 1.00 39.17 ? 3 ASN D CG 1 +ATOM 591 O OD1 . ASN D 2 3 ? 16.223 16.179 18.494 1.00 38.71 ? 3 ASN D OD1 1 +ATOM 592 N ND2 . ASN D 2 3 ? 16.542 14.502 17.192 1.00 37.50 ? 3 ASN D ND2 1 +ATOM 593 N N . GLN D 2 4 ? 11.246 14.315 19.448 1.00 23.80 ? 4 GLN D N 1 +ATOM 594 C CA . GLN D 2 4 ? 10.042 14.015 20.264 1.00 24.90 ? 4 GLN D CA 1 +ATOM 595 C C . GLN D 2 4 ? 9.002 13.159 19.536 1.00 24.94 ? 4 GLN D C 1 +ATOM 596 O O . GLN D 2 4 ? 8.233 12.354 20.066 1.00 24.59 ? 4 GLN D O 1 +ATOM 597 C CB . GLN D 2 4 ? 9.445 15.391 20.651 1.00 27.08 ? 4 GLN D CB 1 +ATOM 598 C CG . GLN D 2 4 ? 8.620 15.758 21.870 1.00 26.79 ? 4 GLN D CG 1 +ATOM 599 C CD . GLN D 2 4 ? 8.789 17.258 22.102 1.00 28.39 ? 4 GLN D CD 1 +ATOM 600 O OE1 . GLN D 2 4 ? 8.556 18.043 21.177 1.00 29.41 ? 4 GLN D OE1 1 +ATOM 601 N NE2 . GLN D 2 4 ? 9.280 17.766 23.223 1.00 27.04 ? 4 GLN D NE2 1 +ATOM 602 N N . HIS D 2 5 ? 8.981 13.429 18.239 1.00 24.41 ? 5 HIS D N 1 +ATOM 603 C CA . HIS D 2 5 ? 8.141 12.686 17.353 1.00 23.17 ? 5 HIS D CA 1 +ATOM 604 C C . HIS D 2 5 ? 8.733 11.296 17.263 1.00 22.18 ? 5 HIS D C 1 +ATOM 605 O O . HIS D 2 5 ? 7.975 10.332 17.356 1.00 23.80 ? 5 HIS D O 1 +ATOM 606 C CB . HIS D 2 5 ? 8.131 13.278 15.946 1.00 28.22 ? 5 HIS D CB 1 +ATOM 607 C CG . HIS D 2 5 ? 7.199 12.378 15.139 1.00 35.13 ? 5 HIS D CG 1 +ATOM 608 N ND1 . HIS D 2 5 ? 7.482 11.174 14.583 1.00 35.89 ? 5 HIS D ND1 1 +ATOM 609 C CD2 . HIS D 2 5 ? 5.846 12.614 14.988 1.00 33.42 ? 5 HIS D CD2 1 +ATOM 610 C CE1 . HIS D 2 5 ? 6.364 10.664 14.120 1.00 35.86 ? 5 HIS D CE1 1 +ATOM 611 N NE2 . HIS D 2 5 ? 5.396 11.538 14.375 1.00 37.52 ? 5 HIS D NE2 1 +ATOM 612 N N . LEU D 2 6 ? 10.058 11.182 16.993 1.00 21.12 ? 6 LEU D N 1 +ATOM 613 C CA . LEU D 2 6 ? 10.692 9.908 16.733 1.00 15.20 ? 6 LEU D CA 1 +ATOM 614 C C . LEU D 2 6 ? 10.548 8.974 17.890 1.00 15.28 ? 6 LEU D C 1 +ATOM 615 O O . LEU D 2 6 ? 10.340 7.797 17.606 1.00 14.99 ? 6 LEU D O 1 +ATOM 616 C CB . LEU D 2 6 ? 12.173 10.034 16.459 1.00 17.13 ? 6 LEU D CB 1 +ATOM 617 C CG . LEU D 2 6 ? 12.712 10.282 15.037 1.00 20.89 ? 6 LEU D CG 1 +ATOM 618 C CD1 . LEU D 2 6 ? 12.617 11.730 14.657 1.00 27.45 ? 6 LEU D CD1 1 +ATOM 619 C CD2 . LEU D 2 6 ? 14.210 10.159 15.005 1.00 16.73 ? 6 LEU D CD2 1 +ATOM 620 N N . CYS D 2 7 ? 10.865 9.460 19.105 1.00 19.41 ? 7 CYS D N 1 +ATOM 621 C CA . CYS D 2 7 ? 10.743 8.821 20.427 1.00 17.32 ? 7 CYS D CA 1 +ATOM 622 C C . CYS D 2 7 ? 9.355 8.253 20.583 1.00 16.39 ? 7 CYS D C 1 +ATOM 623 O O . CYS D 2 7 ? 9.173 7.048 20.710 1.00 21.47 ? 7 CYS D O 1 +ATOM 624 C CB . CYS D 2 7 ? 10.993 9.847 21.590 1.00 20.37 ? 7 CYS D CB 1 +ATOM 625 S SG . CYS D 2 7 ? 10.805 9.221 23.298 1.00 30.02 ? 7 CYS D SG 1 +ATOM 626 N N . GLY D 2 8 ? 8.323 9.045 20.413 1.00 15.33 ? 8 GLY D N 1 +ATOM 627 C CA . GLY D 2 8 ? 6.967 8.561 20.562 1.00 13.91 ? 8 GLY D CA 1 +ATOM 628 C C . GLY D 2 8 ? 6.602 7.366 19.702 1.00 13.36 ? 8 GLY D C 1 +ATOM 629 O O . GLY D 2 8 ? 5.845 6.494 20.137 1.00 13.38 ? 8 GLY D O 1 +ATOM 630 N N . SER D 2 9 ? 7.137 7.252 18.496 1.00 14.35 ? 9 SER D N 1 +ATOM 631 C CA . SER D 2 9 ? 6.831 6.158 17.571 1.00 11.22 ? 9 SER D CA 1 +ATOM 632 C C . SER D 2 9 ? 7.109 4.781 18.135 1.00 10.74 ? 9 SER D C 1 +ATOM 633 O O . SER D 2 9 ? 6.447 3.771 17.866 1.00 11.52 ? 9 SER D O 1 +ATOM 634 C CB . SER D 2 9 ? 7.640 6.554 16.376 1.00 10.83 ? 9 SER D CB 1 +ATOM 635 O OG . SER D 2 9 ? 7.923 5.527 15.464 1.00 24.61 ? 9 SER D OG 1 +ATOM 636 N N . HIS D 2 10 ? 8.147 4.839 18.982 1.00 13.14 ? 10 HIS D N 1 +ATOM 637 C CA . HIS D 2 10 ? 8.738 3.746 19.760 1.00 13.49 ? 10 HIS D CA 1 +ATOM 638 C C . HIS D 2 10 ? 8.061 3.633 21.109 1.00 13.75 ? 10 HIS D C 1 +ATOM 639 O O . HIS D 2 10 ? 8.006 2.540 21.663 1.00 16.99 ? 10 HIS D O 1 +ATOM 640 C CB . HIS D 2 10 ? 10.196 3.971 20.081 1.00 12.26 ? 10 HIS D CB 1 +ATOM 641 C CG . HIS D 2 10 ? 11.135 3.815 18.922 1.00 11.65 ? 10 HIS D CG 1 +ATOM 642 N ND1 . HIS D 2 10 ? 11.546 2.737 18.298 1.00 14.26 ? 10 HIS D ND1 1 +ATOM 643 C CD2 . HIS D 2 10 ? 11.718 4.823 18.300 1.00 9.66 ? 10 HIS D CD2 1 +ATOM 644 C CE1 . HIS D 2 10 ? 12.326 3.019 17.354 1.00 11.58 ? 10 HIS D CE1 1 +ATOM 645 N NE2 . HIS D 2 10 ? 12.442 4.303 17.353 1.00 11.51 ? 10 HIS D NE2 1 +ATOM 646 N N . LEU D 2 11 ? 7.579 4.720 21.703 1.00 12.39 ? 11 LEU D N 1 +ATOM 647 C CA . LEU D 2 11 ? 6.853 4.622 22.931 1.00 12.78 ? 11 LEU D CA 1 +ATOM 648 C C . LEU D 2 11 ? 5.548 3.975 22.582 1.00 14.38 ? 11 LEU D C 1 +ATOM 649 O O . LEU D 2 11 ? 5.191 3.010 23.240 1.00 18.10 ? 11 LEU D O 1 +ATOM 650 C CB . LEU D 2 11 ? 6.670 5.995 23.524 1.00 12.27 ? 11 LEU D CB 1 +ATOM 651 C CG . LEU D 2 11 ? 7.801 6.328 24.478 1.00 15.77 ? 11 LEU D CG 1 +ATOM 652 C CD1 . LEU D 2 11 ? 7.956 7.800 24.696 1.00 12.98 ? 11 LEU D CD1 1 +ATOM 653 C CD2 . LEU D 2 11 ? 7.508 5.580 25.765 1.00 19.55 ? 11 LEU D CD2 1 +ATOM 654 N N . VAL D 2 12 ? 4.844 4.367 21.544 1.00 16.99 ? 12 VAL D N 1 +ATOM 655 C CA . VAL D 2 12 ? 3.598 3.708 21.115 1.00 19.77 ? 12 VAL D CA 1 +ATOM 656 C C . VAL D 2 12 ? 3.768 2.234 20.727 1.00 20.73 ? 12 VAL D C 1 +ATOM 657 O O . VAL D 2 12 ? 2.884 1.402 20.901 1.00 20.00 ? 12 VAL D O 1 +ATOM 658 C CB . VAL D 2 12 ? 3.047 4.521 19.952 1.00 18.63 ? 12 VAL D CB 1 +ATOM 659 C CG1 . VAL D 2 12 ? 1.839 3.925 19.414 1.00 19.87 ? 12 VAL D CG1 1 +ATOM 660 C CG2 . VAL D 2 12 ? 2.601 5.857 20.432 1.00 19.86 ? 12 VAL D CG2 1 +ATOM 661 N N . GLU D 2 13 ? 4.954 1.884 20.269 1.00 20.55 ? 13 GLU D N 1 +ATOM 662 C CA . GLU D 2 13 ? 5.328 0.518 19.897 1.00 22.75 ? 13 GLU D CA 1 +ATOM 663 C C . GLU D 2 13 ? 5.561 -0.389 21.112 1.00 21.74 ? 13 GLU D C 1 +ATOM 664 O O . GLU D 2 13 ? 4.994 -1.464 21.298 1.00 23.37 ? 13 GLU D O 1 +ATOM 665 C CB . GLU D 2 13 ? 6.572 0.721 19.007 1.00 31.01 ? 13 GLU D CB 1 +ATOM 666 C CG . GLU D 2 13 ? 7.683 -0.312 18.723 1.00 31.99 ? 13 GLU D CG 1 +ATOM 667 C CD . GLU D 2 13 ? 8.901 0.255 17.956 1.00 35.88 ? 13 GLU D CD 1 +ATOM 668 O OE1 . GLU D 2 13 ? 8.867 1.346 17.368 1.00 30.07 ? 13 GLU D OE1 1 +ATOM 669 O OE2 . GLU D 2 13 ? 9.930 -0.422 17.965 1.00 41.62 ? 13 GLU D OE2 1 +ATOM 670 N N . ALA D 2 14 ? 6.390 0.039 22.044 1.00 19.33 ? 14 ALA D N 1 +ATOM 671 C CA . ALA D 2 14 ? 6.636 -0.693 23.260 1.00 10.47 ? 14 ALA D CA 1 +ATOM 672 C C . ALA D 2 14 ? 5.357 -0.696 24.087 1.00 11.50 ? 14 ALA D C 1 +ATOM 673 O O . ALA D 2 14 ? 5.004 -1.734 24.640 1.00 10.97 ? 14 ALA D O 1 +ATOM 674 C CB . ALA D 2 14 ? 7.792 0.031 23.920 1.00 12.46 ? 14 ALA D CB 1 +ATOM 675 N N . LEU D 2 15 ? 4.570 0.380 24.191 1.00 10.88 ? 15 LEU D N 1 +ATOM 676 C CA . LEU D 2 15 ? 3.331 0.333 24.934 1.00 11.52 ? 15 LEU D CA 1 +ATOM 677 C C . LEU D 2 15 ? 2.473 -0.734 24.314 1.00 16.33 ? 15 LEU D C 1 +ATOM 678 O O . LEU D 2 15 ? 1.744 -1.390 25.054 1.00 22.47 ? 15 LEU D O 1 +ATOM 679 C CB . LEU D 2 15 ? 2.505 1.648 24.925 1.00 10.50 ? 15 LEU D CB 1 +ATOM 680 C CG . LEU D 2 15 ? 2.936 2.933 25.714 1.00 11.99 ? 15 LEU D CG 1 +ATOM 681 C CD1 . LEU D 2 15 ? 1.818 3.963 25.760 1.00 11.52 ? 15 LEU D CD1 1 +ATOM 682 C CD2 . LEU D 2 15 ? 3.364 2.521 27.135 1.00 15.36 ? 15 LEU D CD2 1 +ATOM 683 N N . TYR D 2 16 ? 2.584 -1.119 23.052 1.00 17.01 ? 16 TYR D N 1 +ATOM 684 C CA . TYR D 2 16 ? 1.736 -2.186 22.514 1.00 17.37 ? 16 TYR D CA 1 +ATOM 685 C C . TYR D 2 16 ? 2.064 -3.596 22.992 1.00 17.60 ? 16 TYR D C 1 +ATOM 686 O O . TYR D 2 16 ? 1.194 -4.462 23.152 1.00 20.24 ? 16 TYR D O 1 +ATOM 687 C CB . TYR D 2 16 ? 1.850 -2.051 21.001 1.00 20.26 ? 16 TYR D CB 1 +ATOM 688 C CG . TYR D 2 16 ? 1.202 -3.127 20.190 1.00 17.06 ? 16 TYR D CG 1 +ATOM 689 C CD1 . TYR D 2 16 ? -0.138 -3.123 20.020 1.00 15.61 ? 16 TYR D CD1 1 +ATOM 690 C CD2 . TYR D 2 16 ? 1.967 -4.113 19.650 1.00 20.41 ? 16 TYR D CD2 1 +ATOM 691 C CE1 . TYR D 2 16 ? -0.738 -4.129 19.292 1.00 20.29 ? 16 TYR D CE1 1 +ATOM 692 C CE2 . TYR D 2 16 ? 1.372 -5.123 18.925 1.00 20.06 ? 16 TYR D CE2 1 +ATOM 693 C CZ . TYR D 2 16 ? 0.024 -5.120 18.748 1.00 20.21 ? 16 TYR D CZ 1 +ATOM 694 O OH . TYR D 2 16 ? -0.562 -6.093 17.983 1.00 18.73 ? 16 TYR D OH 1 +ATOM 695 N N . LEU D 2 17 ? 3.340 -3.887 23.205 1.00 19.44 ? 17 LEU D N 1 +ATOM 696 C CA . LEU D 2 17 ? 3.751 -5.261 23.509 1.00 21.02 ? 17 LEU D CA 1 +ATOM 697 C C . LEU D 2 17 ? 3.695 -5.616 24.949 1.00 20.84 ? 17 LEU D C 1 +ATOM 698 O O . LEU D 2 17 ? 3.637 -6.829 25.187 1.00 19.50 ? 17 LEU D O 1 +ATOM 699 C CB . LEU D 2 17 ? 5.202 -5.692 23.225 1.00 19.44 ? 17 LEU D CB 1 +ATOM 700 C CG . LEU D 2 17 ? 6.170 -5.311 22.124 1.00 22.53 ? 17 LEU D CG 1 +ATOM 701 C CD1 . LEU D 2 17 ? 7.459 -5.763 22.778 1.00 23.58 ? 17 LEU D CD1 1 +ATOM 702 C CD2 . LEU D 2 17 ? 5.885 -5.838 20.684 1.00 13.15 ? 17 LEU D CD2 1 +ATOM 703 N N . VAL D 2 18 ? 3.939 -4.569 25.789 1.00 22.29 ? 18 VAL D N 1 +ATOM 704 C CA . VAL D 2 18 ? 3.928 -4.678 27.256 1.00 22.77 ? 18 VAL D CA 1 +ATOM 705 C C . VAL D 2 18 ? 2.461 -4.639 27.696 1.00 25.61 ? 18 VAL D C 1 +ATOM 706 O O . VAL D 2 18 ? 1.969 -5.604 28.294 1.00 32.32 ? 18 VAL D O 1 +ATOM 707 C CB . VAL D 2 18 ? 4.821 -3.507 27.933 1.00 19.71 ? 18 VAL D CB 1 +ATOM 708 C CG1 . VAL D 2 18 ? 4.119 -2.275 28.428 1.00 20.75 ? 18 VAL D CG1 1 +ATOM 709 C CG2 . VAL D 2 18 ? 5.286 -4.019 29.253 1.00 21.66 ? 18 VAL D CG2 1 +ATOM 710 N N . CYS D 2 19 ? 1.687 -3.644 27.294 1.00 22.08 ? 19 CYS D N 1 +ATOM 711 C CA . CYS D 2 19 ? 0.359 -3.543 27.757 1.00 18.56 ? 19 CYS D CA 1 +ATOM 712 C C . CYS D 2 19 ? -0.630 -4.586 27.268 1.00 21.85 ? 19 CYS D C 1 +ATOM 713 O O . CYS D 2 19 ? -1.797 -4.618 27.685 1.00 25.81 ? 19 CYS D O 1 +ATOM 714 C CB . CYS D 2 19 ? -0.027 -2.137 27.437 1.00 17.89 ? 19 CYS D CB 1 +ATOM 715 S SG . CYS D 2 19 ? 0.859 -1.031 28.552 1.00 22.51 ? 19 CYS D SG 1 +ATOM 716 N N . GLY D 2 20 ? -0.218 -5.527 26.448 1.00 22.19 ? 20 GLY D N 1 +ATOM 717 C CA . GLY D 2 20 ? -1.091 -6.629 26.058 1.00 27.31 ? 20 GLY D CA 1 +ATOM 718 C C . GLY D 2 20 ? -2.529 -6.265 25.665 1.00 25.64 ? 20 GLY D C 1 +ATOM 719 O O . GLY D 2 20 ? -2.740 -5.266 24.987 1.00 28.65 ? 20 GLY D O 1 +ATOM 720 N N . GLU D 2 21 ? -3.507 -7.051 26.132 1.00 25.11 ? 21 GLU D N 1 +ATOM 721 C CA . GLU D 2 21 ? -4.924 -6.876 25.815 1.00 29.02 ? 21 GLU D CA 1 +ATOM 722 C C . GLU D 2 21 ? -5.621 -5.807 26.646 1.00 28.57 ? 21 GLU D C 1 +ATOM 723 O O . GLU D 2 21 ? -6.655 -5.290 26.240 1.00 35.16 ? 21 GLU D O 1 +ATOM 724 C CB . GLU D 2 21 ? -5.676 -8.231 25.976 1.00 30.82 ? 21 GLU D CB 1 +ATOM 725 C CG . GLU D 2 21 ? -6.328 -8.903 24.704 1.00 28.80 ? 21 GLU D CG 1 +ATOM 726 C CD . GLU D 2 21 ? -7.640 -8.298 24.154 1.00 25.67 ? 21 GLU D CD 1 +ATOM 727 O OE1 . GLU D 2 21 ? -7.943 -7.124 24.362 1.00 22.48 ? 21 GLU D OE1 1 +ATOM 728 O OE2 . GLU D 2 21 ? -8.376 -9.015 23.481 1.00 25.62 ? 21 GLU D OE2 1 +ATOM 729 N N . ARG D 2 22 ? -5.058 -5.418 27.787 1.00 28.54 ? 22 ARG D N 1 +ATOM 730 C CA . ARG D 2 22 ? -5.572 -4.384 28.678 1.00 23.54 ? 22 ARG D CA 1 +ATOM 731 C C . ARG D 2 22 ? -5.630 -3.121 27.830 1.00 22.29 ? 22 ARG D C 1 +ATOM 732 O O . ARG D 2 22 ? -6.613 -2.409 27.887 1.00 25.00 ? 22 ARG D O 1 +ATOM 733 C CB . ARG D 2 22 ? -4.610 -4.257 29.881 1.00 23.78 ? 22 ARG D CB 1 +ATOM 734 C CG . ARG D 2 22 ? -4.221 -5.626 30.509 1.00 26.49 ? 22 ARG D CG 1 +ATOM 735 C CD . ARG D 2 22 ? -3.406 -5.628 31.845 1.00 30.38 ? 22 ARG D CD 1 +ATOM 736 N NE . ARG D 2 22 ? -1.972 -5.376 31.766 1.00 30.03 ? 22 ARG D NE 1 +ATOM 737 C CZ . ARG D 2 22 ? -1.331 -4.349 32.355 1.00 28.70 ? 22 ARG D CZ 1 +ATOM 738 N NH1 . ARG D 2 22 ? -1.940 -3.415 33.094 1.00 22.51 ? 22 ARG D NH1 1 +ATOM 739 N NH2 . ARG D 2 22 ? -0.013 -4.252 32.121 1.00 28.71 ? 22 ARG D NH2 1 +ATOM 740 N N . GLY D 2 23 ? -4.661 -2.881 26.947 1.00 22.83 ? 23 GLY D N 1 +ATOM 741 C CA . GLY D 2 23 ? -4.732 -1.779 26.009 1.00 20.61 ? 23 GLY D CA 1 +ATOM 742 C C . GLY D 2 23 ? -3.995 -0.594 26.510 1.00 19.01 ? 23 GLY D C 1 +ATOM 743 O O . GLY D 2 23 ? -3.492 -0.637 27.616 1.00 24.10 ? 23 GLY D O 1 +ATOM 744 N N . PHE D 2 24 ? -3.832 0.511 25.822 1.00 18.62 ? 24 PHE D N 1 +ATOM 745 C CA . PHE D 2 24 ? -3.082 1.616 26.396 1.00 15.20 ? 24 PHE D CA 1 +ATOM 746 C C . PHE D 2 24 ? -3.698 2.887 25.911 1.00 17.76 ? 24 PHE D C 1 +ATOM 747 O O . PHE D 2 24 ? -4.580 2.867 25.057 1.00 19.79 ? 24 PHE D O 1 +ATOM 748 C CB . PHE D 2 24 ? -1.598 1.504 25.976 1.00 16.47 ? 24 PHE D CB 1 +ATOM 749 C CG . PHE D 2 24 ? -1.222 1.626 24.482 1.00 19.15 ? 24 PHE D CG 1 +ATOM 750 C CD1 . PHE D 2 24 ? -1.026 2.875 23.890 1.00 15.63 ? 24 PHE D CD1 1 +ATOM 751 C CD2 . PHE D 2 24 ? -1.024 0.482 23.709 1.00 16.75 ? 24 PHE D CD2 1 +ATOM 752 C CE1 . PHE D 2 24 ? -0.643 2.968 22.578 1.00 10.94 ? 24 PHE D CE1 1 +ATOM 753 C CE2 . PHE D 2 24 ? -0.634 0.592 22.386 1.00 14.21 ? 24 PHE D CE2 1 +ATOM 754 C CZ . PHE D 2 24 ? -0.448 1.836 21.837 1.00 10.80 ? 24 PHE D CZ 1 +ATOM 755 N N . PHE D 2 25 ? -3.266 4.010 26.444 1.00 21.13 ? 25 PHE D N 1 +ATOM 756 C CA . PHE D 2 25 ? -3.766 5.305 26.014 1.00 24.19 ? 25 PHE D CA 1 +ATOM 757 C C . PHE D 2 25 ? -2.527 6.091 25.859 1.00 20.09 ? 25 PHE D C 1 +ATOM 758 O O . PHE D 2 25 ? -1.743 6.159 26.777 1.00 19.74 ? 25 PHE D O 1 +ATOM 759 C CB . PHE D 2 25 ? -4.664 6.041 27.039 1.00 30.45 ? 25 PHE D CB 1 +ATOM 760 C CG . PHE D 2 25 ? -4.138 6.311 28.469 1.00 42.02 ? 25 PHE D CG 1 +ATOM 761 C CD1 . PHE D 2 25 ? -3.709 5.268 29.306 1.00 43.12 ? 25 PHE D CD1 1 +ATOM 762 C CD2 . PHE D 2 25 ? -4.166 7.608 28.975 1.00 43.05 ? 25 PHE D CD2 1 +ATOM 763 C CE1 . PHE D 2 25 ? -3.322 5.523 30.617 1.00 43.15 ? 25 PHE D CE1 1 +ATOM 764 C CE2 . PHE D 2 25 ? -3.778 7.853 30.286 1.00 42.59 ? 25 PHE D CE2 1 +ATOM 765 C CZ . PHE D 2 25 ? -3.360 6.819 31.112 1.00 43.44 ? 25 PHE D CZ 1 +ATOM 766 N N . TYR D 2 26 ? -2.265 6.566 24.675 1.00 22.28 ? 26 TYR D N 1 +ATOM 767 C CA . TYR D 2 26 ? -1.101 7.384 24.451 1.00 25.42 ? 26 TYR D CA 1 +ATOM 768 C C . TYR D 2 26 ? -1.534 8.750 24.965 1.00 32.03 ? 26 TYR D C 1 +ATOM 769 O O . TYR D 2 26 ? -1.954 9.579 24.138 1.00 31.92 ? 26 TYR D O 1 +ATOM 770 C CB . TYR D 2 26 ? -0.692 7.521 22.935 1.00 17.53 ? 26 TYR D CB 1 +ATOM 771 C CG . TYR D 2 26 ? 0.648 8.207 22.768 1.00 19.18 ? 26 TYR D CG 1 +ATOM 772 C CD1 . TYR D 2 26 ? 1.744 7.951 23.626 1.00 24.36 ? 26 TYR D CD1 1 +ATOM 773 C CD2 . TYR D 2 26 ? 0.807 9.118 21.763 1.00 15.47 ? 26 TYR D CD2 1 +ATOM 774 C CE1 . TYR D 2 26 ? 2.961 8.619 23.527 1.00 18.43 ? 26 TYR D CE1 1 +ATOM 775 C CE2 . TYR D 2 26 ? 2.022 9.778 21.661 1.00 15.56 ? 26 TYR D CE2 1 +ATOM 776 C CZ . TYR D 2 26 ? 3.083 9.540 22.511 1.00 14.24 ? 26 TYR D CZ 1 +ATOM 777 O OH . TYR D 2 26 ? 4.248 10.268 22.363 1.00 16.02 ? 26 TYR D OH 1 +ATOM 778 N N . THR D 2 27 ? -1.468 8.891 26.325 1.00 38.03 ? 27 THR D N 1 +ATOM 779 C CA . THR D 2 27 ? -1.699 10.108 27.106 1.00 38.87 ? 27 THR D CA 1 +ATOM 780 C C . THR D 2 27 ? -0.681 11.079 26.488 1.00 38.55 ? 27 THR D C 1 +ATOM 781 O O . THR D 2 27 ? 0.509 11.020 26.822 1.00 40.08 ? 27 THR D O 1 +ATOM 782 C CB . THR D 2 27 ? -1.457 9.773 28.679 1.00 41.35 ? 27 THR D CB 1 +ATOM 783 O OG1 . THR D 2 27 ? -1.575 10.977 29.460 1.00 41.09 ? 27 THR D OG1 1 +ATOM 784 C CG2 . THR D 2 27 ? -0.117 9.137 28.941 1.00 39.65 ? 27 THR D CG2 1 +ATOM 785 N N . PRO D 2 28 ? -1.168 11.914 25.563 1.00 36.56 ? 28 PRO D N 1 +ATOM 786 C CA . PRO D 2 28 ? -0.402 12.425 24.437 1.00 35.18 ? 28 PRO D CA 1 +ATOM 787 C C . PRO D 2 28 ? 0.876 13.201 24.727 1.00 35.53 ? 28 PRO D C 1 +ATOM 788 O O . PRO D 2 28 ? 1.487 13.205 25.809 1.00 38.17 ? 28 PRO D O 1 +ATOM 789 C CB . PRO D 2 28 ? -1.400 13.248 23.661 1.00 36.26 ? 28 PRO D CB 1 +ATOM 790 C CG . PRO D 2 28 ? -2.671 13.435 24.513 1.00 36.20 ? 28 PRO D CG 1 +ATOM 791 C CD . PRO D 2 28 ? -2.537 12.409 25.637 1.00 34.56 ? 28 PRO D CD 1 +ATOM 792 N N . LYS D 2 29 ? 1.333 13.892 23.705 1.00 38.05 ? 29 LYS D N 1 +ATOM 793 C CA . LYS D 2 29 ? 2.459 14.786 23.889 1.00 39.95 ? 29 LYS D CA 1 +ATOM 794 C C . LYS D 2 29 ? 2.102 15.895 24.926 1.00 39.94 ? 29 LYS D C 1 +ATOM 795 O O . LYS D 2 29 ? 0.941 16.254 25.127 1.00 35.36 ? 29 LYS D O 1 +ATOM 796 C CB . LYS D 2 29 ? 2.823 15.362 22.474 1.00 40.34 ? 29 LYS D CB 1 +ATOM 797 C CG . LYS D 2 29 ? 4.264 15.900 22.212 1.00 40.89 ? 29 LYS D CG 1 +ATOM 798 C CD . LYS D 2 29 ? 4.510 16.696 20.898 1.00 42.36 ? 29 LYS D CD 1 +ATOM 799 C CE . LYS D 2 29 ? 4.126 18.199 20.953 1.00 43.54 ? 29 LYS D CE 1 +ATOM 800 N NZ . LYS D 2 29 ? 2.685 18.474 21.055 1.00 46.48 ? 29 LYS D NZ 1 +ATOM 801 N N . ALA D 2 30 ? 3.177 16.293 25.642 1.00 42.44 ? 30 ALA D N 1 +ATOM 802 C CA . ALA D 2 30 ? 3.321 17.448 26.577 1.00 42.96 ? 30 ALA D CA 1 +ATOM 803 C C . ALA D 2 30 ? 4.411 18.408 25.993 1.00 43.36 ? 30 ALA D C 1 +ATOM 804 O O . ALA D 2 30 ? 5.408 17.918 25.413 1.00 42.13 ? 30 ALA D O 1 +ATOM 805 C CB . ALA D 2 30 ? 3.835 17.057 27.980 1.00 40.82 ? 30 ALA D CB 1 +ATOM 806 O OXT . ALA D 2 30 ? 4.215 19.634 26.083 1.00 45.13 ? 30 ALA D OXT 1 +ATOM 807 N N . GLY E 1 1 ? 5.502 -5.632 -9.640 1.00 34.98 ? 1 GLY E N 1 +ATOM 808 C CA . GLY E 1 1 ? 6.290 -4.534 -9.088 1.00 36.53 ? 1 GLY E CA 1 +ATOM 809 C C . GLY E 1 1 ? 7.276 -5.145 -8.098 1.00 35.08 ? 1 GLY E C 1 +ATOM 810 O O . GLY E 1 1 ? 7.491 -6.362 -8.220 1.00 35.83 ? 1 GLY E O 1 +ATOM 811 N N . ILE E 1 2 ? 7.859 -4.434 -7.117 1.00 33.19 ? 2 ILE E N 1 +ATOM 812 C CA . ILE E 1 2 ? 8.658 -5.115 -6.085 1.00 29.40 ? 2 ILE E CA 1 +ATOM 813 C C . ILE E 1 2 ? 7.817 -6.150 -5.282 1.00 27.61 ? 2 ILE E C 1 +ATOM 814 O O . ILE E 1 2 ? 8.268 -7.267 -5.042 1.00 29.51 ? 2 ILE E O 1 +ATOM 815 C CB . ILE E 1 2 ? 9.294 -3.995 -5.178 1.00 31.25 ? 2 ILE E CB 1 +ATOM 816 C CG1 . ILE E 1 2 ? 10.295 -4.669 -4.233 1.00 31.65 ? 2 ILE E CG1 1 +ATOM 817 C CG2 . ILE E 1 2 ? 8.221 -3.162 -4.459 1.00 24.94 ? 2 ILE E CG2 1 +ATOM 818 C CD1 . ILE E 1 2 ? 11.135 -3.730 -3.317 1.00 32.10 ? 2 ILE E CD1 1 +ATOM 819 N N . VAL E 1 3 ? 6.509 -5.918 -5.061 1.00 26.02 ? 3 VAL E N 1 +ATOM 820 C CA . VAL E 1 3 ? 5.599 -6.744 -4.267 1.00 23.92 ? 3 VAL E CA 1 +ATOM 821 C C . VAL E 1 3 ? 5.412 -8.184 -4.765 1.00 28.84 ? 3 VAL E C 1 +ATOM 822 O O . VAL E 1 3 ? 5.066 -9.110 -4.030 1.00 31.22 ? 3 VAL E O 1 +ATOM 823 C CB . VAL E 1 3 ? 4.183 -6.030 -4.153 1.00 18.31 ? 3 VAL E CB 1 +ATOM 824 C CG1 . VAL E 1 3 ? 4.314 -4.506 -4.042 1.00 11.32 ? 3 VAL E CG1 1 +ATOM 825 C CG2 . VAL E 1 3 ? 3.349 -6.376 -5.352 1.00 19.18 ? 3 VAL E CG2 1 +ATOM 826 N N . GLU E 1 4 ? 5.607 -8.423 -6.055 1.00 32.20 ? 4 GLU E N 1 +ATOM 827 C CA . GLU E 1 4 ? 5.523 -9.757 -6.602 1.00 30.93 ? 4 GLU E CA 1 +ATOM 828 C C . GLU E 1 4 ? 6.846 -10.449 -6.326 1.00 29.76 ? 4 GLU E C 1 +ATOM 829 O O . GLU E 1 4 ? 6.818 -11.571 -5.846 1.00 28.53 ? 4 GLU E O 1 +ATOM 830 C CB . GLU E 1 4 ? 5.286 -9.717 -8.102 1.00 32.85 ? 4 GLU E CB 1 +ATOM 831 C CG . GLU E 1 4 ? 4.896 -11.091 -8.688 1.00 39.37 ? 4 GLU E CG 1 +ATOM 832 C CD . GLU E 1 4 ? 5.864 -11.935 -9.553 1.00 41.87 ? 4 GLU E CD 1 +ATOM 833 O OE1 . GLU E 1 4 ? 7.096 -11.710 -9.612 1.00 44.43 ? 4 GLU E OE1 1 +ATOM 834 O OE2 . GLU E 1 4 ? 5.336 -12.859 -10.192 1.00 45.35 ? 4 GLU E OE2 1 +ATOM 835 N N . GLN E 1 5 ? 8.025 -9.856 -6.589 1.00 27.14 ? 5 GLN E N 1 +ATOM 836 C CA . GLN E 1 5 ? 9.248 -10.615 -6.382 1.00 26.20 ? 5 GLN E CA 1 +ATOM 837 C C . GLN E 1 5 ? 9.790 -10.800 -4.955 1.00 26.53 ? 5 GLN E C 1 +ATOM 838 O O . GLN E 1 5 ? 10.357 -11.844 -4.605 1.00 24.58 ? 5 GLN E O 1 +ATOM 839 C CB . GLN E 1 5 ? 10.342 -10.020 -7.316 1.00 24.97 ? 5 GLN E CB 1 +ATOM 840 C CG . GLN E 1 5 ? 10.557 -8.553 -7.632 1.00 25.93 ? 5 GLN E CG 1 +ATOM 841 C CD . GLN E 1 5 ? 11.958 -8.341 -8.198 1.00 29.41 ? 5 GLN E CD 1 +ATOM 842 O OE1 . GLN E 1 5 ? 12.992 -8.362 -7.537 1.00 29.14 ? 5 GLN E OE1 1 +ATOM 843 N NE2 . GLN E 1 5 ? 12.149 -7.904 -9.422 1.00 33.09 ? 5 GLN E NE2 1 +ATOM 844 N N . CYS E 1 6 ? 9.478 -9.827 -4.091 1.00 27.23 ? 6 CYS E N 1 +ATOM 845 C CA . CYS E 1 6 ? 9.975 -9.755 -2.708 1.00 22.79 ? 6 CYS E CA 1 +ATOM 846 C C . CYS E 1 6 ? 9.003 -10.017 -1.539 1.00 20.33 ? 6 CYS E C 1 +ATOM 847 O O . CYS E 1 6 ? 9.444 -10.270 -0.426 1.00 16.79 ? 6 CYS E O 1 +ATOM 848 C CB . CYS E 1 6 ? 10.661 -8.364 -2.599 1.00 25.35 ? 6 CYS E CB 1 +ATOM 849 S SG . CYS E 1 6 ? 12.062 -8.127 -3.760 1.00 20.89 ? 6 CYS E SG 1 +ATOM 850 N N . CYS E 1 7 ? 7.670 -10.020 -1.719 1.00 18.26 ? 7 CYS E N 1 +ATOM 851 C CA . CYS E 1 7 ? 6.723 -10.382 -0.654 1.00 16.84 ? 7 CYS E CA 1 +ATOM 852 C C . CYS E 1 7 ? 6.341 -11.883 -0.724 1.00 18.27 ? 7 CYS E C 1 +ATOM 853 O O . CYS E 1 7 ? 5.632 -12.493 0.079 1.00 12.31 ? 7 CYS E O 1 +ATOM 854 C CB . CYS E 1 7 ? 5.478 -9.524 -0.773 1.00 16.89 ? 7 CYS E CB 1 +ATOM 855 S SG . CYS E 1 7 ? 5.762 -7.752 -0.598 1.00 16.35 ? 7 CYS E SG 1 +ATOM 856 N N . THR E 1 8 ? 6.974 -12.604 -1.632 1.00 22.47 ? 8 THR E N 1 +ATOM 857 C CA . THR E 1 8 ? 6.695 -13.980 -1.856 1.00 23.53 ? 8 THR E CA 1 +ATOM 858 C C . THR E 1 8 ? 7.662 -15.003 -1.251 1.00 23.71 ? 8 THR E C 1 +ATOM 859 O O . THR E 1 8 ? 7.236 -16.005 -0.621 1.00 25.37 ? 8 THR E O 1 +ATOM 860 C CB . THR E 1 8 ? 6.575 -13.980 -3.326 1.00 23.05 ? 8 THR E CB 1 +ATOM 861 O OG1 . THR E 1 8 ? 6.123 -15.280 -3.487 1.00 33.95 ? 8 THR E OG1 1 +ATOM 862 C CG2 . THR E 1 8 ? 7.776 -13.826 -4.206 1.00 36.01 ? 8 THR E CG2 1 +ATOM 863 N N . SER E 1 9 ? 8.917 -14.827 -1.631 1.00 21.70 ? 9 SER E N 1 +ATOM 864 C CA . SER E 1 9 ? 10.117 -15.423 -1.075 1.00 22.81 ? 9 SER E CA 1 +ATOM 865 C C . SER E 1 9 ? 10.847 -14.131 -0.721 1.00 23.29 ? 9 SER E C 1 +ATOM 866 O O . SER E 1 9 ? 10.493 -13.043 -1.204 1.00 23.20 ? 9 SER E O 1 +ATOM 867 C CB . SER E 1 9 ? 10.967 -16.141 -2.087 1.00 25.91 ? 9 SER E CB 1 +ATOM 868 O OG . SER E 1 9 ? 10.511 -17.451 -2.469 1.00 33.66 ? 9 SER E OG 1 +ATOM 869 N N . ILE E 1 10 ? 11.810 -14.266 0.172 1.00 23.88 ? 10 ILE E N 1 +ATOM 870 C CA . ILE E 1 10 ? 12.591 -13.138 0.667 1.00 22.63 ? 10 ILE E CA 1 +ATOM 871 C C . ILE E 1 10 ? 13.542 -12.654 -0.412 1.00 22.46 ? 10 ILE E C 1 +ATOM 872 O O . ILE E 1 10 ? 14.148 -13.451 -1.127 1.00 25.02 ? 10 ILE E O 1 +ATOM 873 C CB . ILE E 1 10 ? 13.458 -13.525 1.879 1.00 21.71 ? 10 ILE E CB 1 +ATOM 874 C CG1 . ILE E 1 10 ? 12.806 -14.542 2.796 1.00 21.24 ? 10 ILE E CG1 1 +ATOM 875 C CG2 . ILE E 1 10 ? 13.706 -12.232 2.632 1.00 23.21 ? 10 ILE E CG2 1 +ATOM 876 C CD1 . ILE E 1 10 ? 13.802 -15.184 3.782 1.00 19.16 ? 10 ILE E CD1 1 +ATOM 877 N N . CYS E 1 11 ? 13.738 -11.374 -0.583 1.00 23.46 ? 11 CYS E N 1 +ATOM 878 C CA . CYS E 1 11 ? 14.714 -10.945 -1.536 1.00 22.89 ? 11 CYS E CA 1 +ATOM 879 C C . CYS E 1 11 ? 16.094 -10.817 -0.888 1.00 23.59 ? 11 CYS E C 1 +ATOM 880 O O . CYS E 1 11 ? 16.239 -10.458 0.282 1.00 24.94 ? 11 CYS E O 1 +ATOM 881 C CB . CYS E 1 11 ? 14.173 -9.650 -2.114 1.00 24.68 ? 11 CYS E CB 1 +ATOM 882 S SG . CYS E 1 11 ? 13.046 -9.861 -3.521 1.00 23.71 ? 11 CYS E SG 1 +ATOM 883 N N . SER E 1 12 ? 17.160 -11.196 -1.613 1.00 27.26 ? 12 SER E N 1 +ATOM 884 C CA . SER E 1 12 ? 18.540 -11.054 -1.147 1.00 27.07 ? 12 SER E CA 1 +ATOM 885 C C . SER E 1 12 ? 18.832 -9.569 -1.265 1.00 26.90 ? 12 SER E C 1 +ATOM 886 O O . SER E 1 12 ? 18.130 -8.861 -2.008 1.00 27.66 ? 12 SER E O 1 +ATOM 887 C CB . SER E 1 12 ? 19.519 -11.799 -2.030 1.00 28.71 ? 12 SER E CB 1 +ATOM 888 O OG . SER E 1 12 ? 19.751 -11.057 -3.243 1.00 34.98 ? 12 SER E OG 1 +ATOM 889 N N . LEU E 1 13 ? 19.915 -9.068 -0.672 1.00 26.15 ? 13 LEU E N 1 +ATOM 890 C CA . LEU E 1 13 ? 20.105 -7.642 -0.756 1.00 27.48 ? 13 LEU E CA 1 +ATOM 891 C C . LEU E 1 13 ? 20.511 -7.207 -2.157 1.00 28.28 ? 13 LEU E C 1 +ATOM 892 O O . LEU E 1 13 ? 20.313 -6.033 -2.479 1.00 27.09 ? 13 LEU E O 1 +ATOM 893 C CB . LEU E 1 13 ? 21.078 -7.257 0.366 1.00 30.90 ? 13 LEU E CB 1 +ATOM 894 C CG . LEU E 1 13 ? 20.248 -7.094 1.712 1.00 33.58 ? 13 LEU E CG 1 +ATOM 895 C CD1 . LEU E 1 13 ? 20.093 -8.415 2.440 1.00 31.62 ? 13 LEU E CD1 1 +ATOM 896 C CD2 . LEU E 1 13 ? 20.956 -6.189 2.691 1.00 33.98 ? 13 LEU E CD2 1 +ATOM 897 N N . TYR E 1 14 ? 20.897 -8.146 -3.065 1.00 27.63 ? 14 TYR E N 1 +ATOM 898 C CA . TYR E 1 14 ? 21.049 -7.828 -4.521 1.00 28.85 ? 14 TYR E CA 1 +ATOM 899 C C . TYR E 1 14 ? 19.645 -7.626 -5.210 1.00 25.10 ? 14 TYR E C 1 +ATOM 900 O O . TYR E 1 14 ? 19.437 -6.742 -6.076 1.00 24.73 ? 14 TYR E O 1 +ATOM 901 C CB . TYR E 1 14 ? 21.861 -8.977 -5.290 1.00 28.64 ? 14 TYR E CB 1 +ATOM 902 C CG . TYR E 1 14 ? 21.849 -8.890 -6.833 1.00 32.80 ? 14 TYR E CG 1 +ATOM 903 C CD1 . TYR E 1 14 ? 22.014 -7.670 -7.491 1.00 33.34 ? 14 TYR E CD1 1 +ATOM 904 C CD2 . TYR E 1 14 ? 21.637 -10.022 -7.618 1.00 35.17 ? 14 TYR E CD2 1 +ATOM 905 C CE1 . TYR E 1 14 ? 21.964 -7.567 -8.883 1.00 34.51 ? 14 TYR E CE1 1 +ATOM 906 C CE2 . TYR E 1 14 ? 21.594 -9.922 -9.012 1.00 34.04 ? 14 TYR E CE2 1 +ATOM 907 C CZ . TYR E 1 14 ? 21.761 -8.694 -9.661 1.00 33.78 ? 14 TYR E CZ 1 +ATOM 908 O OH . TYR E 1 14 ? 21.772 -8.595 -11.067 1.00 29.56 ? 14 TYR E OH 1 +ATOM 909 N N . GLN E 1 15 ? 18.632 -8.448 -4.883 1.00 19.86 ? 15 GLN E N 1 +ATOM 910 C CA . GLN E 1 15 ? 17.310 -8.163 -5.374 1.00 16.21 ? 15 GLN E CA 1 +ATOM 911 C C . GLN E 1 15 ? 16.855 -6.809 -4.926 1.00 16.66 ? 15 GLN E C 1 +ATOM 912 O O . GLN E 1 15 ? 16.314 -6.092 -5.737 1.00 17.12 ? 15 GLN E O 1 +ATOM 913 C CB . GLN E 1 15 ? 16.400 -9.179 -4.879 1.00 13.90 ? 15 GLN E CB 1 +ATOM 914 C CG . GLN E 1 15 ? 16.433 -10.210 -5.928 1.00 18.74 ? 15 GLN E CG 1 +ATOM 915 C CD . GLN E 1 15 ? 16.152 -11.487 -5.232 1.00 21.11 ? 15 GLN E CD 1 +ATOM 916 O OE1 . GLN E 1 15 ? 17.031 -11.978 -4.527 1.00 24.58 ? 15 GLN E OE1 1 +ATOM 917 N NE2 . GLN E 1 15 ? 14.935 -12.017 -5.322 1.00 26.22 ? 15 GLN E NE2 1 +ATOM 918 N N . LEU E 1 16 ? 17.157 -6.386 -3.701 1.00 18.23 ? 16 LEU E N 1 +ATOM 919 C CA . LEU E 1 16 ? 16.722 -5.099 -3.228 1.00 17.51 ? 16 LEU E CA 1 +ATOM 920 C C . LEU E 1 16 ? 17.435 -3.958 -3.868 1.00 17.60 ? 16 LEU E C 1 +ATOM 921 O O . LEU E 1 16 ? 16.790 -2.941 -4.112 1.00 19.52 ? 16 LEU E O 1 +ATOM 922 C CB . LEU E 1 16 ? 16.875 -4.982 -1.708 1.00 18.31 ? 16 LEU E CB 1 +ATOM 923 C CG . LEU E 1 16 ? 15.997 -5.979 -0.975 1.00 22.06 ? 16 LEU E CG 1 +ATOM 924 C CD1 . LEU E 1 16 ? 16.100 -5.878 0.547 1.00 22.65 ? 16 LEU E CD1 1 +ATOM 925 C CD2 . LEU E 1 16 ? 14.592 -5.718 -1.448 1.00 23.80 ? 16 LEU E CD2 1 +ATOM 926 N N . GLU E 1 17 ? 18.714 -4.072 -4.201 1.00 21.30 ? 17 GLU E N 1 +ATOM 927 C CA . GLU E 1 17 ? 19.490 -2.986 -4.854 1.00 22.72 ? 17 GLU E CA 1 +ATOM 928 C C . GLU E 1 17 ? 18.982 -2.605 -6.273 1.00 22.85 ? 17 GLU E C 1 +ATOM 929 O O . GLU E 1 17 ? 19.118 -1.454 -6.703 1.00 25.48 ? 17 GLU E O 1 +ATOM 930 C CB . GLU E 1 17 ? 20.953 -3.458 -4.895 1.00 26.47 ? 17 GLU E CB 1 +ATOM 931 C CG . GLU E 1 17 ? 22.174 -2.534 -4.881 1.00 30.45 ? 17 GLU E CG 1 +ATOM 932 C CD . GLU E 1 17 ? 23.431 -3.332 -5.231 1.00 33.08 ? 17 GLU E CD 1 +ATOM 933 O OE1 . GLU E 1 17 ? 23.921 -4.083 -4.376 1.00 30.62 ? 17 GLU E OE1 1 +ATOM 934 O OE2 . GLU E 1 17 ? 23.905 -3.212 -6.373 1.00 37.70 ? 17 GLU E OE2 1 +ATOM 935 N N . ASN E 1 18 ? 18.326 -3.487 -7.022 1.00 17.80 ? 18 ASN E N 1 +ATOM 936 C CA . ASN E 1 18 ? 17.719 -3.155 -8.300 1.00 19.11 ? 18 ASN E CA 1 +ATOM 937 C C . ASN E 1 18 ? 16.738 -2.011 -8.238 1.00 19.29 ? 18 ASN E C 1 +ATOM 938 O O . ASN E 1 18 ? 16.399 -1.382 -9.240 1.00 22.26 ? 18 ASN E O 1 +ATOM 939 C CB . ASN E 1 18 ? 17.004 -4.399 -8.861 1.00 21.60 ? 18 ASN E CB 1 +ATOM 940 C CG . ASN E 1 18 ? 18.013 -5.507 -9.187 1.00 25.23 ? 18 ASN E CG 1 +ATOM 941 O OD1 . ASN E 1 18 ? 19.220 -5.387 -8.941 1.00 29.17 ? 18 ASN E OD1 1 +ATOM 942 N ND2 . ASN E 1 18 ? 17.601 -6.643 -9.734 1.00 25.67 ? 18 ASN E ND2 1 +ATOM 943 N N . TYR E 1 19 ? 16.255 -1.712 -7.037 1.00 19.33 ? 19 TYR E N 1 +ATOM 944 C CA . TYR E 1 19 ? 15.282 -0.653 -6.795 1.00 19.06 ? 19 TYR E CA 1 +ATOM 945 C C . TYR E 1 19 ? 15.869 0.562 -6.139 1.00 21.50 ? 19 TYR E C 1 +ATOM 946 O O . TYR E 1 19 ? 15.130 1.412 -5.621 1.00 25.29 ? 19 TYR E O 1 +ATOM 947 C CB . TYR E 1 19 ? 14.126 -1.112 -5.904 1.00 11.70 ? 19 TYR E CB 1 +ATOM 948 C CG . TYR E 1 19 ? 13.499 -2.306 -6.561 1.00 10.83 ? 19 TYR E CG 1 +ATOM 949 C CD1 . TYR E 1 19 ? 12.603 -2.128 -7.575 1.00 11.54 ? 19 TYR E CD1 1 +ATOM 950 C CD2 . TYR E 1 19 ? 13.928 -3.556 -6.173 1.00 10.23 ? 19 TYR E CD2 1 +ATOM 951 C CE1 . TYR E 1 19 ? 12.097 -3.244 -8.153 1.00 10.23 ? 19 TYR E CE1 1 +ATOM 952 C CE2 . TYR E 1 19 ? 13.431 -4.668 -6.737 1.00 12.19 ? 19 TYR E CE2 1 +ATOM 953 C CZ . TYR E 1 19 ? 12.536 -4.471 -7.726 1.00 10.78 ? 19 TYR E CZ 1 +ATOM 954 O OH . TYR E 1 19 ? 12.050 -5.586 -8.316 1.00 18.54 ? 19 TYR E OH 1 +ATOM 955 N N . CYS E 1 20 ? 17.175 0.710 -6.105 1.00 22.23 ? 20 CYS E N 1 +ATOM 956 C CA . CYS E 1 20 ? 17.618 1.943 -5.519 1.00 23.76 ? 20 CYS E CA 1 +ATOM 957 C C . CYS E 1 20 ? 17.500 2.976 -6.649 1.00 22.82 ? 20 CYS E C 1 +ATOM 958 O O . CYS E 1 20 ? 16.983 2.686 -7.743 1.00 25.87 ? 20 CYS E O 1 +ATOM 959 C CB . CYS E 1 20 ? 19.062 1.699 -4.998 1.00 27.08 ? 20 CYS E CB 1 +ATOM 960 S SG . CYS E 1 20 ? 19.315 0.554 -3.582 1.00 28.66 ? 20 CYS E SG 1 +ATOM 961 N N . ASN E 1 21 ? 17.750 4.249 -6.393 1.00 22.46 ? 21 ASN E N 1 +ATOM 962 C CA . ASN E 1 21 ? 18.085 5.133 -7.511 1.00 21.37 ? 21 ASN E CA 1 +ATOM 963 C C . ASN E 1 21 ? 19.601 4.960 -7.759 1.00 22.07 ? 21 ASN E C 1 +ATOM 964 O O . ASN E 1 21 ? 20.249 4.149 -7.088 1.00 22.25 ? 21 ASN E O 1 +ATOM 965 C CB . ASN E 1 21 ? 17.736 6.604 -7.192 1.00 19.04 ? 21 ASN E CB 1 +ATOM 966 C CG . ASN E 1 21 ? 16.238 6.774 -7.092 1.00 19.78 ? 21 ASN E CG 1 +ATOM 967 O OD1 . ASN E 1 21 ? 15.727 7.593 -6.332 1.00 19.58 ? 21 ASN E OD1 1 +ATOM 968 N ND2 . ASN E 1 21 ? 15.426 6.003 -7.818 1.00 25.53 ? 21 ASN E ND2 1 +ATOM 969 O OXT . ASN E 1 21 ? 20.132 5.562 -8.676 1.00 22.50 ? 21 ASN E OXT 1 +ATOM 970 N N . PHE F 2 1 ? -3.373 -7.759 -0.758 1.00 30.89 ? 1 PHE F N 1 +ATOM 971 C CA . PHE F 2 1 ? -3.983 -6.648 -0.033 1.00 28.72 ? 1 PHE F CA 1 +ATOM 972 C C . PHE F 2 1 ? -3.489 -6.453 1.432 1.00 27.86 ? 1 PHE F C 1 +ATOM 973 O O . PHE F 2 1 ? -2.373 -5.931 1.509 1.00 27.91 ? 1 PHE F O 1 +ATOM 974 C CB . PHE F 2 1 ? -5.520 -6.789 -0.053 1.00 33.55 ? 1 PHE F CB 1 +ATOM 975 C CG . PHE F 2 1 ? -6.126 -8.057 0.544 1.00 35.03 ? 1 PHE F CG 1 +ATOM 976 C CD1 . PHE F 2 1 ? -6.015 -9.257 -0.172 1.00 37.01 ? 1 PHE F CD1 1 +ATOM 977 C CD2 . PHE F 2 1 ? -6.779 -8.001 1.779 1.00 33.20 ? 1 PHE F CD2 1 +ATOM 978 C CE1 . PHE F 2 1 ? -6.570 -10.406 0.371 1.00 35.73 ? 1 PHE F CE1 1 +ATOM 979 C CE2 . PHE F 2 1 ? -7.319 -9.145 2.301 1.00 34.83 ? 1 PHE F CE2 1 +ATOM 980 C CZ . PHE F 2 1 ? -7.217 -10.338 1.601 1.00 36.72 ? 1 PHE F CZ 1 +ATOM 981 N N . VAL F 2 2 ? -4.068 -6.779 2.628 1.00 23.48 ? 2 VAL F N 1 +ATOM 982 C CA . VAL F 2 2 ? -3.452 -6.465 3.914 1.00 18.78 ? 2 VAL F CA 1 +ATOM 983 C C . VAL F 2 2 ? -2.186 -7.314 4.163 1.00 19.31 ? 2 VAL F C 1 +ATOM 984 O O . VAL F 2 2 ? -1.276 -6.988 4.934 1.00 17.19 ? 2 VAL F O 1 +ATOM 985 C CB . VAL F 2 2 ? -4.578 -6.609 4.965 1.00 12.67 ? 2 VAL F CB 1 +ATOM 986 C CG1 . VAL F 2 2 ? -4.736 -8.031 5.404 1.00 12.03 ? 2 VAL F CG1 1 +ATOM 987 C CG2 . VAL F 2 2 ? -4.274 -5.633 6.095 1.00 11.61 ? 2 VAL F CG2 1 +ATOM 988 N N . ASN F 2 3 ? -2.027 -8.385 3.390 1.00 17.82 ? 3 ASN F N 1 +ATOM 989 C CA . ASN F 2 3 ? -0.769 -9.095 3.390 1.00 15.44 ? 3 ASN F CA 1 +ATOM 990 C C . ASN F 2 3 ? 0.262 -8.218 2.716 1.00 18.87 ? 3 ASN F C 1 +ATOM 991 O O . ASN F 2 3 ? 1.436 -8.286 3.073 1.00 18.90 ? 3 ASN F O 1 +ATOM 992 C CB . ASN F 2 3 ? -0.845 -10.410 2.607 1.00 17.73 ? 3 ASN F CB 1 +ATOM 993 C CG . ASN F 2 3 ? -1.268 -10.477 1.127 1.00 17.03 ? 3 ASN F CG 1 +ATOM 994 O OD1 . ASN F 2 3 ? -1.707 -9.528 0.419 1.00 15.40 ? 3 ASN F OD1 1 +ATOM 995 N ND2 . ASN F 2 3 ? -1.207 -11.717 0.665 1.00 11.76 ? 3 ASN F ND2 1 +ATOM 996 N N . GLN F 2 4 ? -0.142 -7.378 1.733 1.00 20.23 ? 4 GLN F N 1 +ATOM 997 C CA . GLN F 2 4 ? 0.750 -6.524 0.923 1.00 18.52 ? 4 GLN F CA 1 +ATOM 998 C C . GLN F 2 4 ? 1.001 -5.177 1.584 1.00 14.62 ? 4 GLN F C 1 +ATOM 999 O O . GLN F 2 4 ? 2.061 -4.594 1.429 1.00 14.19 ? 4 GLN F O 1 +ATOM 1000 C CB . GLN F 2 4 ? 0.136 -6.335 -0.508 1.00 18.15 ? 4 GLN F CB 1 +ATOM 1001 C CG . GLN F 2 4 ? 0.793 -5.325 -1.458 1.00 23.26 ? 4 GLN F CG 1 +ATOM 1002 C CD . GLN F 2 4 ? -0.218 -4.658 -2.390 1.00 31.69 ? 4 GLN F CD 1 +ATOM 1003 O OE1 . GLN F 2 4 ? -1.273 -5.230 -2.701 1.00 35.46 ? 4 GLN F OE1 1 +ATOM 1004 N NE2 . GLN F 2 4 ? 0.020 -3.440 -2.879 1.00 32.84 ? 4 GLN F NE2 1 +ATOM 1005 N N . HIS F 2 5 ? 0.043 -4.622 2.294 1.00 14.29 ? 5 HIS F N 1 +ATOM 1006 C CA . HIS F 2 5 ? 0.233 -3.394 3.055 1.00 14.34 ? 5 HIS F CA 1 +ATOM 1007 C C . HIS F 2 5 ? 1.208 -3.705 4.156 1.00 15.46 ? 5 HIS F C 1 +ATOM 1008 O O . HIS F 2 5 ? 2.061 -2.902 4.455 1.00 18.68 ? 5 HIS F O 1 +ATOM 1009 C CB . HIS F 2 5 ? -1.043 -2.897 3.725 1.00 11.71 ? 5 HIS F CB 1 +ATOM 1010 C CG . HIS F 2 5 ? -0.944 -1.477 4.231 1.00 12.08 ? 5 HIS F CG 1 +ATOM 1011 N ND1 . HIS F 2 5 ? -0.707 -1.066 5.465 1.00 16.78 ? 5 HIS F ND1 1 +ATOM 1012 C CD2 . HIS F 2 5 ? -0.994 -0.366 3.435 1.00 16.56 ? 5 HIS F CD2 1 +ATOM 1013 C CE1 . HIS F 2 5 ? -0.596 0.247 5.429 1.00 19.21 ? 5 HIS F CE1 1 +ATOM 1014 N NE2 . HIS F 2 5 ? -0.767 0.662 4.208 1.00 17.30 ? 5 HIS F NE2 1 +ATOM 1015 N N . LEU F 2 6 ? 1.110 -4.841 4.809 1.00 17.78 ? 6 LEU F N 1 +ATOM 1016 C CA . LEU F 2 6 ? 2.023 -5.200 5.856 1.00 17.74 ? 6 LEU F CA 1 +ATOM 1017 C C . LEU F 2 6 ? 3.446 -5.507 5.335 1.00 20.20 ? 6 LEU F C 1 +ATOM 1018 O O . LEU F 2 6 ? 4.393 -5.074 6.025 1.00 24.14 ? 6 LEU F O 1 +ATOM 1019 C CB . LEU F 2 6 ? 1.305 -6.366 6.612 1.00 16.16 ? 6 LEU F CB 1 +ATOM 1020 C CG . LEU F 2 6 ? 0.794 -6.137 8.052 1.00 10.82 ? 6 LEU F CG 1 +ATOM 1021 C CD1 . LEU F 2 6 ? 0.179 -4.757 8.228 1.00 11.23 ? 6 LEU F CD1 1 +ATOM 1022 C CD2 . LEU F 2 6 ? -0.060 -7.302 8.369 1.00 13.42 ? 6 LEU F CD2 1 +ATOM 1023 N N . CYS F 2 7 ? 3.679 -6.253 4.223 1.00 17.67 ? 7 CYS F N 1 +ATOM 1024 C CA . CYS F 2 7 ? 4.979 -6.491 3.586 1.00 13.45 ? 7 CYS F CA 1 +ATOM 1025 C C . CYS F 2 7 ? 5.630 -5.200 3.120 1.00 13.93 ? 7 CYS F C 1 +ATOM 1026 O O . CYS F 2 7 ? 6.694 -4.849 3.610 1.00 20.48 ? 7 CYS F O 1 +ATOM 1027 C CB . CYS F 2 7 ? 4.765 -7.454 2.396 1.00 12.00 ? 7 CYS F CB 1 +ATOM 1028 S SG . CYS F 2 7 ? 6.186 -7.899 1.364 1.00 22.33 ? 7 CYS F SG 1 +ATOM 1029 N N . GLY F 2 8 ? 5.081 -4.366 2.268 1.00 11.22 ? 8 GLY F N 1 +ATOM 1030 C CA . GLY F 2 8 ? 5.753 -3.182 1.778 1.00 10.86 ? 8 GLY F CA 1 +ATOM 1031 C C . GLY F 2 8 ? 6.305 -2.228 2.786 1.00 11.86 ? 8 GLY F C 1 +ATOM 1032 O O . GLY F 2 8 ? 7.199 -1.454 2.505 1.00 10.93 ? 8 GLY F O 1 +ATOM 1033 N N . SER F 2 9 ? 5.812 -2.196 4.002 1.00 16.10 ? 9 SER F N 1 +ATOM 1034 C CA . SER F 2 9 ? 6.317 -1.286 5.064 1.00 14.99 ? 9 SER F CA 1 +ATOM 1035 C C . SER F 2 9 ? 7.612 -1.905 5.524 1.00 16.06 ? 9 SER F C 1 +ATOM 1036 O O . SER F 2 9 ? 8.575 -1.186 5.782 1.00 17.62 ? 9 SER F O 1 +ATOM 1037 C CB . SER F 2 9 ? 5.271 -1.130 6.261 1.00 10.56 ? 9 SER F CB 1 +ATOM 1038 O OG . SER F 2 9 ? 4.641 -2.273 6.827 1.00 11.17 ? 9 SER F OG 1 +ATOM 1039 N N . HIS F 2 10 ? 7.699 -3.240 5.635 1.00 14.16 ? 10 HIS F N 1 +ATOM 1040 C CA . HIS F 2 10 ? 8.986 -3.821 5.870 1.00 14.67 ? 10 HIS F CA 1 +ATOM 1041 C C . HIS F 2 10 ? 9.908 -3.614 4.717 1.00 17.68 ? 10 HIS F C 1 +ATOM 1042 O O . HIS F 2 10 ? 11.077 -3.432 4.996 1.00 22.68 ? 10 HIS F O 1 +ATOM 1043 C CB . HIS F 2 10 ? 9.011 -5.248 6.006 1.00 15.37 ? 10 HIS F CB 1 +ATOM 1044 C CG . HIS F 2 10 ? 8.546 -5.543 7.348 1.00 19.31 ? 10 HIS F CG 1 +ATOM 1045 N ND1 . HIS F 2 10 ? 9.259 -5.600 8.434 1.00 22.08 ? 10 HIS F ND1 1 +ATOM 1046 C CD2 . HIS F 2 10 ? 7.254 -5.765 7.661 1.00 24.69 ? 10 HIS F CD2 1 +ATOM 1047 C CE1 . HIS F 2 10 ? 8.441 -5.844 9.403 1.00 26.07 ? 10 HIS F CE1 1 +ATOM 1048 N NE2 . HIS F 2 10 ? 7.242 -5.944 8.935 1.00 23.82 ? 10 HIS F NE2 1 +ATOM 1049 N N . LEU F 2 11 ? 9.456 -3.620 3.473 1.00 18.59 ? 11 LEU F N 1 +ATOM 1050 C CA . LEU F 2 11 ? 10.303 -3.449 2.309 1.00 16.15 ? 11 LEU F CA 1 +ATOM 1051 C C . LEU F 2 11 ? 10.801 -2.039 2.156 1.00 17.20 ? 11 LEU F C 1 +ATOM 1052 O O . LEU F 2 11 ? 11.900 -1.813 1.675 1.00 23.63 ? 11 LEU F O 1 +ATOM 1053 C CB . LEU F 2 11 ? 9.546 -3.799 1.069 1.00 19.00 ? 11 LEU F CB 1 +ATOM 1054 C CG . LEU F 2 11 ? 9.422 -5.216 0.687 1.00 21.71 ? 11 LEU F CG 1 +ATOM 1055 C CD1 . LEU F 2 11 ? 8.493 -5.342 -0.512 1.00 27.06 ? 11 LEU F CD1 1 +ATOM 1056 C CD2 . LEU F 2 11 ? 10.779 -5.733 0.316 1.00 21.50 ? 11 LEU F CD2 1 +ATOM 1057 N N . VAL F 2 12 ? 10.073 -1.035 2.536 1.00 14.15 ? 12 VAL F N 1 +ATOM 1058 C CA . VAL F 2 12 ? 10.551 0.328 2.460 1.00 13.92 ? 12 VAL F CA 1 +ATOM 1059 C C . VAL F 2 12 ? 11.712 0.527 3.452 1.00 14.53 ? 12 VAL F C 1 +ATOM 1060 O O . VAL F 2 12 ? 12.710 1.122 3.067 1.00 10.33 ? 12 VAL F O 1 +ATOM 1061 C CB . VAL F 2 12 ? 9.183 1.033 2.643 1.00 18.50 ? 12 VAL F CB 1 +ATOM 1062 C CG1 . VAL F 2 12 ? 9.193 2.313 3.408 1.00 19.84 ? 12 VAL F CG1 1 +ATOM 1063 C CG2 . VAL F 2 12 ? 8.687 1.271 1.235 1.00 15.85 ? 12 VAL F CG2 1 +ATOM 1064 N N . GLU F 2 13 ? 11.631 -0.052 4.669 1.00 15.12 ? 13 GLU F N 1 +ATOM 1065 C CA . GLU F 2 13 ? 12.643 -0.165 5.762 1.00 13.99 ? 13 GLU F CA 1 +ATOM 1066 C C . GLU F 2 13 ? 13.876 -0.720 5.094 1.00 11.43 ? 13 GLU F C 1 +ATOM 1067 O O . GLU F 2 13 ? 14.862 -0.055 5.028 1.00 10.76 ? 13 GLU F O 1 +ATOM 1068 C CB . GLU F 2 13 ? 12.126 -1.182 6.926 1.00 20.50 ? 13 GLU F CB 1 +ATOM 1069 C CG . GLU F 2 13 ? 12.921 -2.373 7.674 1.00 20.09 ? 13 GLU F CG 1 +ATOM 1070 C CD . GLU F 2 13 ? 12.162 -3.587 8.294 1.00 24.95 ? 13 GLU F CD 1 +ATOM 1071 O OE1 . GLU F 2 13 ? 11.096 -3.371 8.902 1.00 23.01 ? 13 GLU F OE1 1 +ATOM 1072 O OE2 . GLU F 2 13 ? 12.639 -4.746 8.205 1.00 17.67 ? 13 GLU F OE2 1 +ATOM 1073 N N . ALA F 2 14 ? 13.843 -1.915 4.547 1.00 12.59 ? 14 ALA F N 1 +ATOM 1074 C CA . ALA F 2 14 ? 14.881 -2.597 3.762 1.00 15.88 ? 14 ALA F CA 1 +ATOM 1075 C C . ALA F 2 14 ? 15.370 -1.926 2.453 1.00 18.67 ? 14 ALA F C 1 +ATOM 1076 O O . ALA F 2 14 ? 16.569 -2.005 2.155 1.00 21.38 ? 14 ALA F O 1 +ATOM 1077 C CB . ALA F 2 14 ? 14.368 -4.018 3.425 1.00 10.12 ? 14 ALA F CB 1 +ATOM 1078 N N . LEU F 2 15 ? 14.582 -1.268 1.592 1.00 17.32 ? 15 LEU F N 1 +ATOM 1079 C CA . LEU F 2 15 ? 15.181 -0.587 0.490 1.00 15.23 ? 15 LEU F CA 1 +ATOM 1080 C C . LEU F 2 15 ? 15.839 0.631 1.115 1.00 15.68 ? 15 LEU F C 1 +ATOM 1081 O O . LEU F 2 15 ? 16.960 0.963 0.760 1.00 17.22 ? 15 LEU F O 1 +ATOM 1082 C CB . LEU F 2 15 ? 14.117 -0.230 -0.520 1.00 13.18 ? 15 LEU F CB 1 +ATOM 1083 C CG . LEU F 2 15 ? 13.374 -1.197 -1.476 1.00 15.14 ? 15 LEU F CG 1 +ATOM 1084 C CD1 . LEU F 2 15 ? 12.312 -0.421 -2.267 1.00 10.47 ? 15 LEU F CD1 1 +ATOM 1085 C CD2 . LEU F 2 15 ? 14.335 -1.806 -2.454 1.00 16.37 ? 15 LEU F CD2 1 +ATOM 1086 N N . TYR F 2 16 ? 15.311 1.307 2.115 1.00 16.37 ? 16 TYR F N 1 +ATOM 1087 C CA . TYR F 2 16 ? 15.988 2.454 2.768 1.00 19.01 ? 16 TYR F CA 1 +ATOM 1088 C C . TYR F 2 16 ? 17.442 2.242 3.212 1.00 20.71 ? 16 TYR F C 1 +ATOM 1089 O O . TYR F 2 16 ? 18.290 3.119 3.101 1.00 25.15 ? 16 TYR F O 1 +ATOM 1090 C CB . TYR F 2 16 ? 15.212 2.909 4.051 1.00 18.62 ? 16 TYR F CB 1 +ATOM 1091 C CG . TYR F 2 16 ? 15.790 4.063 4.884 1.00 15.04 ? 16 TYR F CG 1 +ATOM 1092 C CD1 . TYR F 2 16 ? 15.894 5.302 4.322 1.00 13.90 ? 16 TYR F CD1 1 +ATOM 1093 C CD2 . TYR F 2 16 ? 16.290 3.882 6.150 1.00 15.13 ? 16 TYR F CD2 1 +ATOM 1094 C CE1 . TYR F 2 16 ? 16.477 6.336 4.986 1.00 10.46 ? 16 TYR F CE1 1 +ATOM 1095 C CE2 . TYR F 2 16 ? 16.881 4.933 6.818 1.00 10.65 ? 16 TYR F CE2 1 +ATOM 1096 C CZ . TYR F 2 16 ? 16.969 6.151 6.223 1.00 12.99 ? 16 TYR F CZ 1 +ATOM 1097 O OH . TYR F 2 16 ? 17.521 7.239 6.847 1.00 13.37 ? 16 TYR F OH 1 +ATOM 1098 N N . LEU F 2 17 ? 17.751 1.085 3.741 1.00 19.74 ? 17 LEU F N 1 +ATOM 1099 C CA . LEU F 2 17 ? 19.008 0.816 4.381 1.00 19.92 ? 17 LEU F CA 1 +ATOM 1100 C C . LEU F 2 17 ? 19.993 0.394 3.346 1.00 20.21 ? 17 LEU F C 1 +ATOM 1101 O O . LEU F 2 17 ? 21.131 0.849 3.338 1.00 16.17 ? 17 LEU F O 1 +ATOM 1102 C CB . LEU F 2 17 ? 18.823 -0.308 5.404 1.00 25.93 ? 17 LEU F CB 1 +ATOM 1103 C CG . LEU F 2 17 ? 18.877 -0.118 6.951 1.00 27.92 ? 17 LEU F CG 1 +ATOM 1104 C CD1 . LEU F 2 17 ? 20.236 0.449 7.330 1.00 29.32 ? 17 LEU F CD1 1 +ATOM 1105 C CD2 . LEU F 2 17 ? 17.753 0.777 7.434 1.00 28.55 ? 17 LEU F CD2 1 +ATOM 1106 N N . VAL F 2 18 ? 19.544 -0.499 2.466 1.00 18.79 ? 18 VAL F N 1 +ATOM 1107 C CA . VAL F 2 18 ? 20.435 -0.961 1.419 1.00 18.96 ? 18 VAL F CA 1 +ATOM 1108 C C . VAL F 2 18 ? 20.893 0.156 0.521 1.00 19.71 ? 18 VAL F C 1 +ATOM 1109 O O . VAL F 2 18 ? 22.056 0.083 0.152 1.00 26.09 ? 18 VAL F O 1 +ATOM 1110 C CB . VAL F 2 18 ? 19.806 -2.093 0.533 1.00 18.56 ? 18 VAL F CB 1 +ATOM 1111 C CG1 . VAL F 2 18 ? 19.428 -3.165 1.543 1.00 14.98 ? 18 VAL F CG1 1 +ATOM 1112 C CG2 . VAL F 2 18 ? 18.610 -1.699 -0.317 1.00 23.37 ? 18 VAL F CG2 1 +ATOM 1113 N N . CYS F 2 19 ? 20.091 1.181 0.200 1.00 18.99 ? 19 CYS F N 1 +ATOM 1114 C CA . CYS F 2 19 ? 20.452 2.273 -0.688 1.00 17.73 ? 19 CYS F CA 1 +ATOM 1115 C C . CYS F 2 19 ? 21.141 3.545 -0.181 1.00 20.20 ? 19 CYS F C 1 +ATOM 1116 O O . CYS F 2 19 ? 21.755 4.262 -0.982 1.00 24.37 ? 19 CYS F O 1 +ATOM 1117 C CB . CYS F 2 19 ? 19.212 2.735 -1.426 1.00 18.52 ? 19 CYS F CB 1 +ATOM 1118 S SG . CYS F 2 19 ? 18.241 1.398 -2.108 1.00 16.98 ? 19 CYS F SG 1 +ATOM 1119 N N . GLY F 2 20 ? 21.009 4.010 1.060 1.00 22.92 ? 20 GLY F N 1 +ATOM 1120 C CA . GLY F 2 20 ? 21.670 5.197 1.571 1.00 23.31 ? 20 GLY F CA 1 +ATOM 1121 C C . GLY F 2 20 ? 21.537 6.475 0.757 1.00 25.93 ? 20 GLY F C 1 +ATOM 1122 O O . GLY F 2 20 ? 20.465 7.049 0.633 1.00 26.79 ? 20 GLY F O 1 +ATOM 1123 N N . GLU F 2 21 ? 22.662 6.898 0.172 1.00 28.09 ? 21 GLU F N 1 +ATOM 1124 C CA . GLU F 2 21 ? 22.803 8.153 -0.583 1.00 30.28 ? 21 GLU F CA 1 +ATOM 1125 C C . GLU F 2 21 ? 21.901 8.330 -1.804 1.00 26.87 ? 21 GLU F C 1 +ATOM 1126 O O . GLU F 2 21 ? 21.437 9.429 -2.091 1.00 29.15 ? 21 GLU F O 1 +ATOM 1127 C CB . GLU F 2 21 ? 24.320 8.369 -1.050 1.00 33.27 ? 21 GLU F CB 1 +ATOM 1128 C CG . GLU F 2 21 ? 24.871 7.333 -2.055 1.00 36.16 ? 21 GLU F CG 1 +ATOM 1129 C CD . GLU F 2 21 ? 26.284 7.484 -2.631 1.00 38.84 ? 21 GLU F CD 1 +ATOM 1130 O OE1 . GLU F 2 21 ? 26.864 8.581 -2.567 1.00 45.72 ? 21 GLU F OE1 1 +ATOM 1131 O OE2 . GLU F 2 21 ? 26.801 6.494 -3.165 1.00 35.75 ? 21 GLU F OE2 1 +ATOM 1132 N N . ARG F 2 22 ? 21.691 7.219 -2.494 1.00 21.54 ? 22 ARG F N 1 +ATOM 1133 C CA . ARG F 2 22 ? 20.918 7.123 -3.711 1.00 18.92 ? 22 ARG F CA 1 +ATOM 1134 C C . ARG F 2 22 ? 19.434 7.336 -3.468 1.00 20.52 ? 22 ARG F C 1 +ATOM 1135 O O . ARG F 2 22 ? 18.780 8.146 -4.106 1.00 21.61 ? 22 ARG F O 1 +ATOM 1136 C CB . ARG F 2 22 ? 21.149 5.768 -4.256 1.00 18.44 ? 22 ARG F CB 1 +ATOM 1137 C CG . ARG F 2 22 ? 22.606 5.400 -4.348 1.00 15.44 ? 22 ARG F CG 1 +ATOM 1138 C CD . ARG F 2 22 ? 22.680 3.915 -4.202 1.00 15.30 ? 22 ARG F CD 1 +ATOM 1139 N NE . ARG F 2 22 ? 22.349 3.312 -5.479 1.00 17.37 ? 22 ARG F NE 1 +ATOM 1140 C CZ . ARG F 2 22 ? 22.411 2.008 -5.695 1.00 19.68 ? 22 ARG F CZ 1 +ATOM 1141 N NH1 . ARG F 2 22 ? 22.776 1.169 -4.709 1.00 20.22 ? 22 ARG F NH1 1 +ATOM 1142 N NH2 . ARG F 2 22 ? 22.194 1.566 -6.931 1.00 17.50 ? 22 ARG F NH2 1 +ATOM 1143 N N . GLY F 2 23 ? 18.958 6.653 -2.432 1.00 17.87 ? 23 GLY F N 1 +ATOM 1144 C CA . GLY F 2 23 ? 17.567 6.677 -2.116 1.00 16.26 ? 23 GLY F CA 1 +ATOM 1145 C C . GLY F 2 23 ? 16.974 5.616 -2.994 1.00 19.57 ? 23 GLY F C 1 +ATOM 1146 O O . GLY F 2 23 ? 17.720 4.760 -3.491 1.00 22.30 ? 23 GLY F O 1 +ATOM 1147 N N . PHE F 2 24 ? 15.666 5.611 -3.214 1.00 18.04 ? 24 PHE F N 1 +ATOM 1148 C CA . PHE F 2 24 ? 15.003 4.552 -3.972 1.00 15.08 ? 24 PHE F CA 1 +ATOM 1149 C C . PHE F 2 24 ? 13.605 4.972 -4.493 1.00 14.36 ? 24 PHE F C 1 +ATOM 1150 O O . PHE F 2 24 ? 13.114 6.092 -4.367 1.00 14.53 ? 24 PHE F O 1 +ATOM 1151 C CB . PHE F 2 24 ? 14.912 3.321 -3.052 1.00 12.69 ? 24 PHE F CB 1 +ATOM 1152 C CG . PHE F 2 24 ? 14.128 3.573 -1.763 1.00 16.70 ? 24 PHE F CG 1 +ATOM 1153 C CD1 . PHE F 2 24 ? 14.778 4.078 -0.659 1.00 14.15 ? 24 PHE F CD1 1 +ATOM 1154 C CD2 . PHE F 2 24 ? 12.747 3.389 -1.713 1.00 13.85 ? 24 PHE F CD2 1 +ATOM 1155 C CE1 . PHE F 2 24 ? 14.049 4.408 0.467 1.00 15.96 ? 24 PHE F CE1 1 +ATOM 1156 C CE2 . PHE F 2 24 ? 12.025 3.720 -0.578 1.00 11.91 ? 24 PHE F CE2 1 +ATOM 1157 C CZ . PHE F 2 24 ? 12.678 4.233 0.509 1.00 11.49 ? 24 PHE F CZ 1 +ATOM 1158 N N . PHE F 2 25 ? 12.855 4.075 -5.064 1.00 15.55 ? 25 PHE F N 1 +ATOM 1159 C CA . PHE F 2 25 ? 11.484 4.327 -5.443 1.00 16.00 ? 25 PHE F CA 1 +ATOM 1160 C C . PHE F 2 25 ? 10.617 3.135 -4.981 1.00 13.13 ? 25 PHE F C 1 +ATOM 1161 O O . PHE F 2 25 ? 11.084 1.988 -4.903 1.00 12.39 ? 25 PHE F O 1 +ATOM 1162 C CB . PHE F 2 25 ? 11.466 4.551 -6.992 1.00 15.70 ? 25 PHE F CB 1 +ATOM 1163 C CG . PHE F 2 25 ? 11.948 3.415 -7.888 1.00 11.04 ? 25 PHE F CG 1 +ATOM 1164 C CD1 . PHE F 2 25 ? 11.096 2.395 -8.253 1.00 11.39 ? 25 PHE F CD1 1 +ATOM 1165 C CD2 . PHE F 2 25 ? 13.254 3.402 -8.290 1.00 11.50 ? 25 PHE F CD2 1 +ATOM 1166 C CE1 . PHE F 2 25 ? 11.538 1.333 -9.026 1.00 14.36 ? 25 PHE F CE1 1 +ATOM 1167 C CE2 . PHE F 2 25 ? 13.702 2.354 -9.058 1.00 12.21 ? 25 PHE F CE2 1 +ATOM 1168 C CZ . PHE F 2 25 ? 12.851 1.320 -9.426 1.00 15.12 ? 25 PHE F CZ 1 +ATOM 1169 N N . TYR F 2 26 ? 9.354 3.342 -4.648 1.00 11.53 ? 26 TYR F N 1 +ATOM 1170 C CA . TYR F 2 26 ? 8.443 2.269 -4.315 1.00 14.34 ? 26 TYR F CA 1 +ATOM 1171 C C . TYR F 2 26 ? 7.198 2.595 -5.125 1.00 16.21 ? 26 TYR F C 1 +ATOM 1172 O O . TYR F 2 26 ? 6.585 3.661 -4.935 1.00 19.07 ? 26 TYR F O 1 +ATOM 1173 C CB . TYR F 2 26 ? 8.105 2.278 -2.843 1.00 12.44 ? 26 TYR F CB 1 +ATOM 1174 C CG . TYR F 2 26 ? 7.166 1.191 -2.389 1.00 11.30 ? 26 TYR F CG 1 +ATOM 1175 C CD1 . TYR F 2 26 ? 7.642 -0.101 -2.404 1.00 9.78 ? 26 TYR F CD1 1 +ATOM 1176 C CD2 . TYR F 2 26 ? 5.896 1.474 -1.933 1.00 12.26 ? 26 TYR F CD2 1 +ATOM 1177 C CE1 . TYR F 2 26 ? 6.859 -1.140 -1.938 1.00 13.39 ? 26 TYR F CE1 1 +ATOM 1178 C CE2 . TYR F 2 26 ? 5.111 0.427 -1.474 1.00 10.12 ? 26 TYR F CE2 1 +ATOM 1179 C CZ . TYR F 2 26 ? 5.599 -0.875 -1.474 1.00 16.40 ? 26 TYR F CZ 1 +ATOM 1180 O OH . TYR F 2 26 ? 4.873 -1.948 -0.964 1.00 21.08 ? 26 TYR F OH 1 +ATOM 1181 N N . THR F 2 27 ? 6.790 1.692 -6.032 1.00 17.50 ? 27 THR F N 1 +ATOM 1182 C CA . THR F 2 27 ? 5.642 1.877 -6.910 1.00 19.69 ? 27 THR F CA 1 +ATOM 1183 C C . THR F 2 27 ? 4.827 0.576 -6.947 1.00 21.46 ? 27 THR F C 1 +ATOM 1184 O O . THR F 2 27 ? 5.099 -0.244 -7.793 1.00 22.58 ? 27 THR F O 1 +ATOM 1185 C CB . THR F 2 27 ? 6.268 2.414 -8.289 1.00 17.20 ? 27 THR F CB 1 +ATOM 1186 O OG1 . THR F 2 27 ? 7.482 1.705 -8.438 1.00 16.93 ? 27 THR F OG1 1 +ATOM 1187 C CG2 . THR F 2 27 ? 6.726 3.895 -8.324 1.00 14.16 ? 27 THR F CG2 1 +ATOM 1188 N N . PRO F 2 28 ? 3.908 0.300 -5.963 1.00 26.32 ? 28 PRO F N 1 +ATOM 1189 C CA . PRO F 2 28 ? 3.242 -1.021 -5.685 1.00 28.08 ? 28 PRO F CA 1 +ATOM 1190 C C . PRO F 2 28 ? 2.363 -1.933 -6.608 1.00 29.75 ? 28 PRO F C 1 +ATOM 1191 O O . PRO F 2 28 ? 2.518 -1.880 -7.842 1.00 30.19 ? 28 PRO F O 1 +ATOM 1192 C CB . PRO F 2 28 ? 2.496 -0.718 -4.339 1.00 28.73 ? 28 PRO F CB 1 +ATOM 1193 C CG . PRO F 2 28 ? 2.490 0.739 -4.038 1.00 22.72 ? 28 PRO F CG 1 +ATOM 1194 C CD . PRO F 2 28 ? 3.576 1.293 -4.947 1.00 23.89 ? 28 PRO F CD 1 +ATOM 1195 N N . LYS F 2 29 ? 1.530 -2.825 -6.044 1.00 30.13 ? 29 LYS F N 1 +ATOM 1196 C CA . LYS F 2 29 ? 0.629 -3.692 -6.797 1.00 32.39 ? 29 LYS F CA 1 +ATOM 1197 C C . LYS F 2 29 ? -0.620 -2.938 -7.252 1.00 34.94 ? 29 LYS F C 1 +ATOM 1198 O O . LYS F 2 29 ? -1.307 -2.232 -6.480 1.00 34.37 ? 29 LYS F O 1 +ATOM 1199 C CB . LYS F 2 29 ? 0.101 -4.932 -5.987 1.00 30.66 ? 29 LYS F CB 1 +ATOM 1200 C CG . LYS F 2 29 ? -0.633 -5.963 -6.942 1.00 32.15 ? 29 LYS F CG 1 +ATOM 1201 C CD . LYS F 2 29 ? -0.435 -7.534 -6.858 1.00 25.49 ? 29 LYS F CD 1 +ATOM 1202 C CE . LYS F 2 29 ? -0.340 -8.229 -5.471 1.00 25.23 ? 29 LYS F CE 1 +ATOM 1203 N NZ . LYS F 2 29 ? -1.280 -7.740 -4.471 1.00 18.24 ? 29 LYS F NZ 1 +ATOM 1204 N N . ALA F 2 30 ? -0.693 -3.189 -8.562 1.00 36.16 ? 30 ALA F N 1 +ATOM 1205 C CA . ALA F 2 30 ? -1.575 -2.551 -9.527 1.00 38.85 ? 30 ALA F CA 1 +ATOM 1206 C C . ALA F 2 30 ? -2.579 -3.442 -10.305 1.00 40.16 ? 30 ALA F C 1 +ATOM 1207 O O . ALA F 2 30 ? -3.547 -2.921 -10.897 1.00 39.34 ? 30 ALA F O 1 +ATOM 1208 C CB . ALA F 2 30 ? -0.656 -1.833 -10.504 1.00 40.39 ? 30 ALA F CB 1 +ATOM 1209 O OXT . ALA F 2 30 ? -2.393 -4.666 -10.279 1.00 43.43 ? 30 ALA F OXT 1 +ATOM 1210 N N . GLY G 1 1 ? 15.876 18.728 1.191 1.00 25.21 ? 1 GLY G N 1 +ATOM 1211 C CA . GLY G 1 1 ? 14.545 18.794 0.665 1.00 28.83 ? 1 GLY G CA 1 +ATOM 1212 C C . GLY G 1 1 ? 13.823 18.085 1.740 1.00 29.10 ? 1 GLY G C 1 +ATOM 1213 O O . GLY G 1 1 ? 13.575 18.698 2.765 1.00 30.72 ? 1 GLY G O 1 +ATOM 1214 N N . ILE G 1 2 ? 13.747 16.773 1.605 1.00 28.93 ? 2 ILE G N 1 +ATOM 1215 C CA . ILE G 1 2 ? 12.899 15.987 2.485 1.00 28.19 ? 2 ILE G CA 1 +ATOM 1216 C C . ILE G 1 2 ? 13.511 15.845 3.863 1.00 29.42 ? 2 ILE G C 1 +ATOM 1217 O O . ILE G 1 2 ? 12.806 16.024 4.839 1.00 30.94 ? 2 ILE G O 1 +ATOM 1218 C CB . ILE G 1 2 ? 12.619 14.619 1.732 1.00 25.41 ? 2 ILE G CB 1 +ATOM 1219 C CG1 . ILE G 1 2 ? 11.357 14.001 2.327 1.00 25.70 ? 2 ILE G CG1 1 +ATOM 1220 C CG2 . ILE G 1 2 ? 13.816 13.676 1.773 1.00 21.00 ? 2 ILE G CG2 1 +ATOM 1221 C CD1 . ILE G 1 2 ? 11.059 12.643 1.624 1.00 28.28 ? 2 ILE G CD1 1 +ATOM 1222 N N . VAL G 1 3 ? 14.824 15.624 3.968 1.00 31.97 ? 3 VAL G N 1 +ATOM 1223 C CA . VAL G 1 3 ? 15.500 15.485 5.245 1.00 31.90 ? 3 VAL G CA 1 +ATOM 1224 C C . VAL G 1 3 ? 15.553 16.862 5.943 1.00 34.95 ? 3 VAL G C 1 +ATOM 1225 O O . VAL G 1 3 ? 15.154 16.928 7.108 1.00 38.38 ? 3 VAL G O 1 +ATOM 1226 C CB . VAL G 1 3 ? 16.926 14.942 5.030 1.00 31.19 ? 3 VAL G CB 1 +ATOM 1227 C CG1 . VAL G 1 3 ? 17.423 14.470 6.368 1.00 31.77 ? 3 VAL G CG1 1 +ATOM 1228 C CG2 . VAL G 1 3 ? 16.979 13.752 4.108 1.00 27.03 ? 3 VAL G CG2 1 +ATOM 1229 N N . GLU G 1 4 ? 16.008 17.975 5.297 1.00 35.02 ? 4 GLU G N 1 +ATOM 1230 C CA . GLU G 1 4 ? 15.998 19.298 5.924 1.00 32.87 ? 4 GLU G CA 1 +ATOM 1231 C C . GLU G 1 4 ? 14.598 19.832 6.323 1.00 31.12 ? 4 GLU G C 1 +ATOM 1232 O O . GLU G 1 4 ? 14.283 19.940 7.501 1.00 30.73 ? 4 GLU G O 1 +ATOM 1233 C CB . GLU G 1 4 ? 16.637 20.390 5.039 1.00 35.04 ? 4 GLU G CB 1 +ATOM 1234 C CG . GLU G 1 4 ? 17.199 20.138 3.646 1.00 37.96 ? 4 GLU G CG 1 +ATOM 1235 C CD . GLU G 1 4 ? 17.169 21.343 2.643 1.00 39.46 ? 4 GLU G CD 1 +ATOM 1236 O OE1 . GLU G 1 4 ? 16.233 22.182 2.571 1.00 38.67 ? 4 GLU G OE1 1 +ATOM 1237 O OE2 . GLU G 1 4 ? 18.116 21.418 1.864 1.00 41.31 ? 4 GLU G OE2 1 +ATOM 1238 N N . GLN G 1 5 ? 13.695 20.144 5.414 1.00 26.87 ? 5 GLN G N 1 +ATOM 1239 C CA . GLN G 1 5 ? 12.408 20.700 5.739 1.00 27.12 ? 5 GLN G CA 1 +ATOM 1240 C C . GLN G 1 5 ? 11.659 19.902 6.792 1.00 26.76 ? 5 GLN G C 1 +ATOM 1241 O O . GLN G 1 5 ? 11.020 20.528 7.642 1.00 26.68 ? 5 GLN G O 1 +ATOM 1242 C CB . GLN G 1 5 ? 11.611 20.797 4.407 1.00 30.26 ? 5 GLN G CB 1 +ATOM 1243 C CG . GLN G 1 5 ? 10.167 21.318 4.307 1.00 33.19 ? 5 GLN G CG 1 +ATOM 1244 C CD . GLN G 1 5 ? 9.506 20.880 2.995 1.00 35.74 ? 5 GLN G CD 1 +ATOM 1245 O OE1 . GLN G 1 5 ? 8.702 19.958 2.942 1.00 35.23 ? 5 GLN G OE1 1 +ATOM 1246 N NE2 . GLN G 1 5 ? 9.730 21.501 1.841 1.00 37.54 ? 5 GLN G NE2 1 +ATOM 1247 N N . CYS G 1 6 ? 11.802 18.565 6.739 1.00 25.97 ? 6 CYS G N 1 +ATOM 1248 C CA . CYS G 1 6 ? 11.106 17.627 7.610 1.00 26.19 ? 6 CYS G CA 1 +ATOM 1249 C C . CYS G 1 6 ? 11.923 17.174 8.814 1.00 31.80 ? 6 CYS G C 1 +ATOM 1250 O O . CYS G 1 6 ? 11.452 17.461 9.917 1.00 35.35 ? 6 CYS G O 1 +ATOM 1251 C CB . CYS G 1 6 ? 10.669 16.400 6.840 1.00 26.77 ? 6 CYS G CB 1 +ATOM 1252 S SG . CYS G 1 6 ? 9.376 16.805 5.634 1.00 25.66 ? 6 CYS G SG 1 +ATOM 1253 N N . CYS G 1 7 ? 13.140 16.569 8.819 1.00 30.89 ? 7 CYS G N 1 +ATOM 1254 C CA . CYS G 1 7 ? 13.846 16.335 10.098 1.00 28.21 ? 7 CYS G CA 1 +ATOM 1255 C C . CYS G 1 7 ? 14.203 17.552 10.922 1.00 26.98 ? 7 CYS G C 1 +ATOM 1256 O O . CYS G 1 7 ? 14.866 17.379 11.934 1.00 28.85 ? 7 CYS G O 1 +ATOM 1257 C CB . CYS G 1 7 ? 15.139 15.586 9.913 1.00 25.37 ? 7 CYS G CB 1 +ATOM 1258 S SG . CYS G 1 7 ? 14.663 14.196 8.908 1.00 30.48 ? 7 CYS G SG 1 +ATOM 1259 N N . THR G 1 8 ? 13.875 18.790 10.552 1.00 27.81 ? 8 THR G N 1 +ATOM 1260 C CA . THR G 1 8 ? 14.143 19.982 11.356 1.00 28.19 ? 8 THR G CA 1 +ATOM 1261 C C . THR G 1 8 ? 12.810 20.459 12.044 1.00 33.51 ? 8 THR G C 1 +ATOM 1262 O O . THR G 1 8 ? 12.834 21.206 13.040 1.00 37.84 ? 8 THR G O 1 +ATOM 1263 C CB . THR G 1 8 ? 14.817 21.041 10.355 1.00 24.20 ? 8 THR G CB 1 +ATOM 1264 O OG1 . THR G 1 8 ? 15.987 20.430 9.799 1.00 21.44 ? 8 THR G OG1 1 +ATOM 1265 C CG2 . THR G 1 8 ? 15.349 22.315 11.010 1.00 25.44 ? 8 THR G CG2 1 +ATOM 1266 N N . SER G 1 9 ? 11.606 20.008 11.659 1.00 32.99 ? 9 SER G N 1 +ATOM 1267 C CA . SER G 1 9 ? 10.342 20.489 12.186 1.00 30.35 ? 9 SER G CA 1 +ATOM 1268 C C . SER G 1 9 ? 9.397 19.345 11.853 1.00 29.31 ? 9 SER G C 1 +ATOM 1269 O O . SER G 1 9 ? 9.572 18.786 10.775 1.00 30.13 ? 9 SER G O 1 +ATOM 1270 C CB . SER G 1 9 ? 9.859 21.758 11.441 1.00 29.48 ? 9 SER G CB 1 +ATOM 1271 O OG . SER G 1 9 ? 10.042 23.011 12.116 1.00 33.55 ? 9 SER G OG 1 +ATOM 1272 N N . ILE G 1 10 ? 8.372 18.965 12.615 1.00 27.50 ? 10 ILE G N 1 +ATOM 1273 C CA . ILE G 1 10 ? 7.536 17.898 12.117 1.00 27.12 ? 10 ILE G CA 1 +ATOM 1274 C C . ILE G 1 10 ? 6.719 18.453 10.984 1.00 25.34 ? 10 ILE G C 1 +ATOM 1275 O O . ILE G 1 10 ? 6.208 19.572 11.095 1.00 26.11 ? 10 ILE G O 1 +ATOM 1276 C CB . ILE G 1 10 ? 6.574 17.350 13.145 1.00 27.01 ? 10 ILE G CB 1 +ATOM 1277 C CG1 . ILE G 1 10 ? 7.199 17.126 14.512 1.00 25.81 ? 10 ILE G CG1 1 +ATOM 1278 C CG2 . ILE G 1 10 ? 6.167 15.984 12.596 1.00 27.91 ? 10 ILE G CG2 1 +ATOM 1279 C CD1 . ILE G 1 10 ? 6.257 17.123 15.719 1.00 28.30 ? 10 ILE G CD1 1 +ATOM 1280 N N . CYS G 1 11 ? 6.746 17.667 9.909 1.00 22.77 ? 11 CYS G N 1 +ATOM 1281 C CA . CYS G 1 11 ? 5.998 17.861 8.672 1.00 20.54 ? 11 CYS G CA 1 +ATOM 1282 C C . CYS G 1 11 ? 4.622 17.221 8.908 1.00 19.12 ? 11 CYS G C 1 +ATOM 1283 O O . CYS G 1 11 ? 4.463 16.364 9.781 1.00 20.64 ? 11 CYS G O 1 +ATOM 1284 C CB . CYS G 1 11 ? 6.710 17.158 7.490 1.00 21.83 ? 11 CYS G CB 1 +ATOM 1285 S SG . CYS G 1 11 ? 8.172 17.945 6.793 1.00 26.02 ? 11 CYS G SG 1 +ATOM 1286 N N . SER G 1 12 ? 3.546 17.670 8.276 1.00 17.56 ? 12 SER G N 1 +ATOM 1287 C CA . SER G 1 12 ? 2.255 17.049 8.462 1.00 16.52 ? 12 SER G CA 1 +ATOM 1288 C C . SER G 1 12 ? 2.205 16.004 7.384 1.00 17.41 ? 12 SER G C 1 +ATOM 1289 O O . SER G 1 12 ? 3.111 15.927 6.553 1.00 14.81 ? 12 SER G O 1 +ATOM 1290 C CB . SER G 1 12 ? 1.106 18.057 8.243 1.00 16.55 ? 12 SER G CB 1 +ATOM 1291 O OG . SER G 1 12 ? -0.229 17.500 8.224 1.00 21.58 ? 12 SER G OG 1 +ATOM 1292 N N . LEU G 1 13 ? 1.093 15.260 7.319 1.00 20.91 ? 13 LEU G N 1 +ATOM 1293 C CA . LEU G 1 13 ? 0.875 14.333 6.214 1.00 23.05 ? 13 LEU G CA 1 +ATOM 1294 C C . LEU G 1 13 ? 0.596 15.159 4.936 1.00 24.42 ? 13 LEU G C 1 +ATOM 1295 O O . LEU G 1 13 ? 0.980 14.646 3.886 1.00 28.54 ? 13 LEU G O 1 +ATOM 1296 C CB . LEU G 1 13 ? -0.292 13.344 6.582 1.00 22.28 ? 13 LEU G CB 1 +ATOM 1297 C CG . LEU G 1 13 ? -0.257 12.412 7.909 1.00 20.00 ? 13 LEU G CG 1 +ATOM 1298 C CD1 . LEU G 1 13 ? -1.667 11.932 8.199 1.00 14.61 ? 13 LEU G CD1 1 +ATOM 1299 C CD2 . LEU G 1 13 ? 0.539 11.146 7.774 1.00 14.32 ? 13 LEU G CD2 1 +ATOM 1300 N N . TYR G 1 14 ? 0.111 16.440 4.865 1.00 25.14 ? 14 TYR G N 1 +ATOM 1301 C CA . TYR G 1 14 ? -0.075 17.142 3.567 1.00 25.54 ? 14 TYR G CA 1 +ATOM 1302 C C . TYR G 1 14 ? 1.200 17.611 3.004 1.00 23.11 ? 14 TYR G C 1 +ATOM 1303 O O . TYR G 1 14 ? 1.330 17.626 1.780 1.00 29.19 ? 14 TYR G O 1 +ATOM 1304 C CB . TYR G 1 14 ? -0.998 18.409 3.561 1.00 30.04 ? 14 TYR G CB 1 +ATOM 1305 C CG . TYR G 1 14 ? -2.293 17.917 4.152 1.00 39.03 ? 14 TYR G CG 1 +ATOM 1306 C CD1 . TYR G 1 14 ? -2.671 16.606 3.868 1.00 44.78 ? 14 TYR G CD1 1 +ATOM 1307 C CD2 . TYR G 1 14 ? -2.995 18.603 5.124 1.00 41.21 ? 14 TYR G CD2 1 +ATOM 1308 C CE1 . TYR G 1 14 ? -3.674 15.972 4.570 1.00 48.07 ? 14 TYR G CE1 1 +ATOM 1309 C CE2 . TYR G 1 14 ? -4.021 17.970 5.806 1.00 42.37 ? 14 TYR G CE2 1 +ATOM 1310 C CZ . TYR G 1 14 ? -4.360 16.651 5.544 1.00 45.32 ? 14 TYR G CZ 1 +ATOM 1311 O OH . TYR G 1 14 ? -5.364 15.942 6.204 1.00 43.19 ? 14 TYR G OH 1 +ATOM 1312 N N . GLN G 1 15 ? 2.148 17.970 3.858 1.00 20.63 ? 15 GLN G N 1 +ATOM 1313 C CA . GLN G 1 15 ? 3.522 18.214 3.426 1.00 17.93 ? 15 GLN G CA 1 +ATOM 1314 C C . GLN G 1 15 ? 4.173 16.946 2.944 1.00 16.18 ? 15 GLN G C 1 +ATOM 1315 O O . GLN G 1 15 ? 4.911 16.993 2.008 1.00 19.01 ? 15 GLN G O 1 +ATOM 1316 C CB . GLN G 1 15 ? 4.362 18.741 4.559 1.00 17.87 ? 15 GLN G CB 1 +ATOM 1317 C CG . GLN G 1 15 ? 3.980 20.149 4.914 1.00 17.62 ? 15 GLN G CG 1 +ATOM 1318 C CD . GLN G 1 15 ? 4.808 20.636 6.054 1.00 16.94 ? 15 GLN G CD 1 +ATOM 1319 O OE1 . GLN G 1 15 ? 4.675 20.089 7.137 1.00 22.56 ? 15 GLN G OE1 1 +ATOM 1320 N NE2 . GLN G 1 15 ? 5.652 21.635 5.853 1.00 17.51 ? 15 GLN G NE2 1 +ATOM 1321 N N . LEU G 1 16 ? 3.902 15.806 3.548 1.00 19.10 ? 16 LEU G N 1 +ATOM 1322 C CA . LEU G 1 16 ? 4.452 14.482 3.238 1.00 21.60 ? 16 LEU G CA 1 +ATOM 1323 C C . LEU G 1 16 ? 3.959 14.021 1.881 1.00 25.14 ? 16 LEU G C 1 +ATOM 1324 O O . LEU G 1 16 ? 4.654 13.500 0.989 1.00 24.08 ? 16 LEU G O 1 +ATOM 1325 C CB . LEU G 1 16 ? 3.997 13.471 4.372 1.00 19.72 ? 16 LEU G CB 1 +ATOM 1326 C CG . LEU G 1 16 ? 4.932 12.998 5.538 1.00 16.81 ? 16 LEU G CG 1 +ATOM 1327 C CD1 . LEU G 1 16 ? 6.011 13.986 5.814 1.00 11.67 ? 16 LEU G CD1 1 +ATOM 1328 C CD2 . LEU G 1 16 ? 4.140 12.794 6.791 1.00 13.88 ? 16 LEU G CD2 1 +ATOM 1329 N N . GLU G 1 17 ? 2.660 14.298 1.777 1.00 25.66 ? 17 GLU G N 1 +ATOM 1330 C CA . GLU G 1 17 ? 1.856 13.999 0.615 1.00 26.93 ? 17 GLU G CA 1 +ATOM 1331 C C . GLU G 1 17 ? 2.601 14.587 -0.542 1.00 25.55 ? 17 GLU G C 1 +ATOM 1332 O O . GLU G 1 17 ? 2.857 13.879 -1.485 1.00 27.90 ? 17 GLU G O 1 +ATOM 1333 C CB . GLU G 1 17 ? 0.488 14.641 0.824 1.00 32.32 ? 17 GLU G CB 1 +ATOM 1334 C CG . GLU G 1 17 ? -0.574 14.436 -0.237 1.00 32.69 ? 17 GLU G CG 1 +ATOM 1335 C CD . GLU G 1 17 ? -1.917 14.031 0.377 1.00 38.36 ? 17 GLU G CD 1 +ATOM 1336 O OE1 . GLU G 1 17 ? -2.516 14.811 1.139 1.00 39.31 ? 17 GLU G OE1 1 +ATOM 1337 O OE2 . GLU G 1 17 ? -2.372 12.918 0.070 1.00 41.39 ? 17 GLU G OE2 1 +ATOM 1338 N N . ASN G 1 18 ? 3.098 15.803 -0.482 1.00 23.32 ? 18 ASN G N 1 +ATOM 1339 C CA . ASN G 1 18 ? 3.816 16.372 -1.620 1.00 24.82 ? 18 ASN G CA 1 +ATOM 1340 C C . ASN G 1 18 ? 5.074 15.659 -2.073 1.00 24.70 ? 18 ASN G C 1 +ATOM 1341 O O . ASN G 1 18 ? 5.590 15.916 -3.164 1.00 21.66 ? 18 ASN G O 1 +ATOM 1342 C CB . ASN G 1 18 ? 4.161 17.804 -1.305 1.00 26.01 ? 18 ASN G CB 1 +ATOM 1343 C CG . ASN G 1 18 ? 4.339 18.665 -2.534 1.00 28.10 ? 18 ASN G CG 1 +ATOM 1344 O OD1 . ASN G 1 18 ? 3.648 19.678 -2.744 1.00 26.72 ? 18 ASN G OD1 1 +ATOM 1345 N ND2 . ASN G 1 18 ? 5.319 18.420 -3.377 1.00 32.30 ? 18 ASN G ND2 1 +ATOM 1346 N N . TYR G 1 19 ? 5.633 14.778 -1.249 1.00 27.78 ? 19 TYR G N 1 +ATOM 1347 C CA . TYR G 1 19 ? 6.771 13.971 -1.702 1.00 27.66 ? 19 TYR G CA 1 +ATOM 1348 C C . TYR G 1 19 ? 6.325 12.622 -2.264 1.00 27.39 ? 19 TYR G C 1 +ATOM 1349 O O . TYR G 1 19 ? 7.156 11.883 -2.754 1.00 27.95 ? 19 TYR G O 1 +ATOM 1350 C CB . TYR G 1 19 ? 7.755 13.743 -0.568 1.00 29.00 ? 19 TYR G CB 1 +ATOM 1351 C CG . TYR G 1 19 ? 8.361 15.012 0.052 1.00 26.63 ? 19 TYR G CG 1 +ATOM 1352 C CD1 . TYR G 1 19 ? 9.279 15.783 -0.639 1.00 24.73 ? 19 TYR G CD1 1 +ATOM 1353 C CD2 . TYR G 1 19 ? 8.060 15.300 1.373 1.00 24.60 ? 19 TYR G CD2 1 +ATOM 1354 C CE1 . TYR G 1 19 ? 9.889 16.820 0.039 1.00 27.52 ? 19 TYR G CE1 1 +ATOM 1355 C CE2 . TYR G 1 19 ? 8.665 16.323 2.043 1.00 26.93 ? 19 TYR G CE2 1 +ATOM 1356 C CZ . TYR G 1 19 ? 9.591 17.070 1.381 1.00 24.14 ? 19 TYR G CZ 1 +ATOM 1357 O OH . TYR G 1 19 ? 10.319 17.996 2.119 1.00 26.76 ? 19 TYR G OH 1 +ATOM 1358 N N . CYS G 1 20 ? 5.045 12.238 -2.199 1.00 28.18 ? 20 CYS G N 1 +ATOM 1359 C CA . CYS G 1 20 ? 4.468 11.102 -2.917 1.00 24.36 ? 20 CYS G CA 1 +ATOM 1360 C C . CYS G 1 20 ? 4.649 11.232 -4.416 1.00 28.36 ? 20 CYS G C 1 +ATOM 1361 O O . CYS G 1 20 ? 5.043 12.293 -4.912 1.00 32.91 ? 20 CYS G O 1 +ATOM 1362 C CB . CYS G 1 20 ? 3.003 11.027 -2.690 1.00 19.15 ? 20 CYS G CB 1 +ATOM 1363 S SG . CYS G 1 20 ? 2.551 10.790 -0.989 1.00 18.53 ? 20 CYS G SG 1 +ATOM 1364 N N . ASN G 1 21 ? 4.385 10.188 -5.195 1.00 29.65 ? 21 ASN G N 1 +ATOM 1365 C CA . ASN G 1 21 ? 4.354 10.357 -6.645 1.00 28.56 ? 21 ASN G CA 1 +ATOM 1366 C C . ASN G 1 21 ? 2.926 10.793 -7.002 1.00 28.28 ? 21 ASN G C 1 +ATOM 1367 O O . ASN G 1 21 ? 2.212 11.371 -6.157 1.00 27.94 ? 21 ASN G O 1 +ATOM 1368 C CB . ASN G 1 21 ? 4.680 9.051 -7.379 1.00 28.44 ? 21 ASN G CB 1 +ATOM 1369 C CG . ASN G 1 21 ? 6.137 8.644 -7.429 1.00 31.69 ? 21 ASN G CG 1 +ATOM 1370 O OD1 . ASN G 1 21 ? 7.059 9.461 -7.446 1.00 34.89 ? 21 ASN G OD1 1 +ATOM 1371 N ND2 . ASN G 1 21 ? 6.434 7.337 -7.471 1.00 33.59 ? 21 ASN G ND2 1 +ATOM 1372 O OXT . ASN G 1 21 ? 2.512 10.560 -8.139 1.00 28.61 ? 21 ASN G OXT 1 +ATOM 1373 N N . PHE H 2 1 ? 26.174 11.257 14.878 1.00 43.99 ? 1 PHE H N 1 +ATOM 1374 C CA . PHE H 2 1 ? 25.743 11.665 13.555 1.00 42.86 ? 1 PHE H CA 1 +ATOM 1375 C C . PHE H 2 1 ? 24.548 10.831 13.071 1.00 42.03 ? 1 PHE H C 1 +ATOM 1376 O O . PHE H 2 1 ? 24.047 11.097 11.989 1.00 44.45 ? 1 PHE H O 1 +ATOM 1377 C CB . PHE H 2 1 ? 26.891 11.495 12.573 1.00 39.81 ? 1 PHE H CB 1 +ATOM 1378 C CG . PHE H 2 1 ? 26.699 12.218 11.257 1.00 36.81 ? 1 PHE H CG 1 +ATOM 1379 C CD1 . PHE H 2 1 ? 26.381 13.577 11.263 1.00 39.84 ? 1 PHE H CD1 1 +ATOM 1380 C CD2 . PHE H 2 1 ? 26.854 11.509 10.074 1.00 36.09 ? 1 PHE H CD2 1 +ATOM 1381 C CE1 . PHE H 2 1 ? 26.214 14.249 10.059 1.00 40.72 ? 1 PHE H CE1 1 +ATOM 1382 C CE2 . PHE H 2 1 ? 26.687 12.178 8.879 1.00 39.60 ? 1 PHE H CE2 1 +ATOM 1383 C CZ . PHE H 2 1 ? 26.368 13.543 8.868 1.00 41.00 ? 1 PHE H CZ 1 +ATOM 1384 N N . VAL H 2 2 ? 23.935 9.896 13.812 1.00 39.07 ? 2 VAL H N 1 +ATOM 1385 C CA . VAL H 2 2 ? 22.941 9.060 13.208 1.00 33.41 ? 2 VAL H CA 1 +ATOM 1386 C C . VAL H 2 2 ? 21.586 9.773 13.334 1.00 34.77 ? 2 VAL H C 1 +ATOM 1387 O O . VAL H 2 2 ? 20.668 9.385 12.644 1.00 37.89 ? 2 VAL H O 1 +ATOM 1388 C CB . VAL H 2 2 ? 23.067 7.686 13.901 1.00 29.65 ? 2 VAL H CB 1 +ATOM 1389 C CG1 . VAL H 2 2 ? 22.184 7.602 15.139 1.00 27.01 ? 2 VAL H CG1 1 +ATOM 1390 C CG2 . VAL H 2 2 ? 22.691 6.645 12.893 1.00 28.49 ? 2 VAL H CG2 1 +ATOM 1391 N N . ASN H 2 3 ? 21.388 10.834 14.121 1.00 35.42 ? 3 ASN H N 1 +ATOM 1392 C CA . ASN H 2 3 ? 20.112 11.537 14.307 1.00 34.11 ? 3 ASN H CA 1 +ATOM 1393 C C . ASN H 2 3 ? 19.271 11.654 13.059 1.00 33.80 ? 3 ASN H C 1 +ATOM 1394 O O . ASN H 2 3 ? 18.067 11.436 13.099 1.00 36.60 ? 3 ASN H O 1 +ATOM 1395 C CB . ASN H 2 3 ? 20.386 12.962 14.875 1.00 35.58 ? 3 ASN H CB 1 +ATOM 1396 C CG . ASN H 2 3 ? 19.442 14.131 14.447 1.00 41.51 ? 3 ASN H CG 1 +ATOM 1397 O OD1 . ASN H 2 3 ? 19.907 15.241 14.146 1.00 37.84 ? 3 ASN H OD1 1 +ATOM 1398 N ND2 . ASN H 2 3 ? 18.119 13.922 14.306 1.00 40.89 ? 3 ASN H ND2 1 +ATOM 1399 N N . GLN H 2 4 ? 19.922 12.039 11.973 1.00 35.99 ? 4 GLN H N 1 +ATOM 1400 C CA . GLN H 2 4 ? 19.322 12.270 10.669 1.00 35.87 ? 4 GLN H CA 1 +ATOM 1401 C C . GLN H 2 4 ? 18.977 10.979 10.013 1.00 37.62 ? 4 GLN H C 1 +ATOM 1402 O O . GLN H 2 4 ? 17.901 10.872 9.425 1.00 39.52 ? 4 GLN H O 1 +ATOM 1403 C CB . GLN H 2 4 ? 20.243 12.959 9.708 1.00 38.44 ? 4 GLN H CB 1 +ATOM 1404 C CG . GLN H 2 4 ? 20.791 14.252 10.234 1.00 40.74 ? 4 GLN H CG 1 +ATOM 1405 C CD . GLN H 2 4 ? 19.803 15.400 10.192 1.00 45.40 ? 4 GLN H CD 1 +ATOM 1406 O OE1 . GLN H 2 4 ? 20.153 16.447 9.638 1.00 50.86 ? 4 GLN H OE1 1 +ATOM 1407 N NE2 . GLN H 2 4 ? 18.591 15.299 10.744 1.00 43.92 ? 4 GLN H NE2 1 +ATOM 1408 N N . HIS H 2 5 ? 19.919 10.025 10.096 1.00 36.00 ? 5 HIS H N 1 +ATOM 1409 C CA . HIS H 2 5 ? 19.727 8.635 9.630 1.00 34.26 ? 5 HIS H CA 1 +ATOM 1410 C C . HIS H 2 5 ? 18.481 8.063 10.277 1.00 31.19 ? 5 HIS H C 1 +ATOM 1411 O O . HIS H 2 5 ? 17.672 7.366 9.668 1.00 33.31 ? 5 HIS H O 1 +ATOM 1412 C CB . HIS H 2 5 ? 20.947 7.760 10.016 1.00 34.10 ? 5 HIS H CB 1 +ATOM 1413 C CG . HIS H 2 5 ? 20.768 6.260 9.853 1.00 33.86 ? 5 HIS H CG 1 +ATOM 1414 N ND1 . HIS H 2 5 ? 21.203 5.497 8.857 1.00 35.43 ? 5 HIS H ND1 1 +ATOM 1415 C CD2 . HIS H 2 5 ? 20.067 5.452 10.711 1.00 33.46 ? 5 HIS H CD2 1 +ATOM 1416 C CE1 . HIS H 2 5 ? 20.780 4.272 9.076 1.00 36.03 ? 5 HIS H CE1 1 +ATOM 1417 N NE2 . HIS H 2 5 ? 20.097 4.258 10.202 1.00 34.25 ? 5 HIS H NE2 1 +ATOM 1418 N N . LEU H 2 6 ? 18.409 8.321 11.570 1.00 28.26 ? 6 LEU H N 1 +ATOM 1419 C CA . LEU H 2 6 ? 17.314 7.852 12.353 1.00 25.27 ? 6 LEU H CA 1 +ATOM 1420 C C . LEU H 2 6 ? 16.001 8.535 11.996 1.00 23.27 ? 6 LEU H C 1 +ATOM 1421 O O . LEU H 2 6 ? 14.947 7.949 12.311 1.00 24.21 ? 6 LEU H O 1 +ATOM 1422 C CB . LEU H 2 6 ? 17.687 8.063 13.780 1.00 19.69 ? 6 LEU H CB 1 +ATOM 1423 C CG . LEU H 2 6 ? 18.104 6.846 14.542 1.00 17.89 ? 6 LEU H CG 1 +ATOM 1424 C CD1 . LEU H 2 6 ? 19.192 6.060 13.867 1.00 12.13 ? 6 LEU H CD1 1 +ATOM 1425 C CD2 . LEU H 2 6 ? 18.594 7.358 15.866 1.00 19.10 ? 6 LEU H CD2 1 +ATOM 1426 N N . CYS H 2 7 ? 16.074 9.755 11.465 1.00 20.20 ? 7 CYS H N 1 +ATOM 1427 C CA . CYS H 2 7 ? 14.926 10.484 10.986 1.00 21.99 ? 7 CYS H CA 1 +ATOM 1428 C C . CYS H 2 7 ? 14.600 9.928 9.609 1.00 22.95 ? 7 CYS H C 1 +ATOM 1429 O O . CYS H 2 7 ? 13.427 9.614 9.408 1.00 26.21 ? 7 CYS H O 1 +ATOM 1430 C CB . CYS H 2 7 ? 15.209 11.987 10.883 1.00 24.57 ? 7 CYS H CB 1 +ATOM 1431 S SG . CYS H 2 7 ? 13.824 12.977 10.293 1.00 26.80 ? 7 CYS H SG 1 +ATOM 1432 N N . GLY H 2 8 ? 15.487 9.700 8.650 1.00 21.82 ? 8 GLY H N 1 +ATOM 1433 C CA . GLY H 2 8 ? 15.103 9.108 7.393 1.00 23.18 ? 8 GLY H CA 1 +ATOM 1434 C C . GLY H 2 8 ? 14.353 7.782 7.620 1.00 26.15 ? 8 GLY H C 1 +ATOM 1435 O O . GLY H 2 8 ? 13.279 7.602 6.995 1.00 29.55 ? 8 GLY H O 1 +ATOM 1436 N N . SER H 2 9 ? 14.762 6.914 8.587 1.00 20.81 ? 9 SER H N 1 +ATOM 1437 C CA . SER H 2 9 ? 14.053 5.659 8.772 1.00 17.57 ? 9 SER H CA 1 +ATOM 1438 C C . SER H 2 9 ? 12.601 5.825 9.150 1.00 18.55 ? 9 SER H C 1 +ATOM 1439 O O . SER H 2 9 ? 11.779 4.898 9.104 1.00 24.50 ? 9 SER H O 1 +ATOM 1440 C CB . SER H 2 9 ? 14.699 4.780 9.816 1.00 13.62 ? 9 SER H CB 1 +ATOM 1441 O OG . SER H 2 9 ? 15.367 5.423 10.901 1.00 19.65 ? 9 SER H OG 1 +ATOM 1442 N N . HIS H 2 10 ? 12.263 7.028 9.577 1.00 16.42 ? 10 HIS H N 1 +ATOM 1443 C CA . HIS H 2 10 ? 10.902 7.317 9.880 1.00 13.77 ? 10 HIS H CA 1 +ATOM 1444 C C . HIS H 2 10 ? 10.407 8.065 8.737 1.00 11.50 ? 10 HIS H C 1 +ATOM 1445 O O . HIS H 2 10 ? 9.297 7.728 8.511 1.00 20.94 ? 10 HIS H O 1 +ATOM 1446 C CB . HIS H 2 10 ? 10.656 8.208 11.086 1.00 15.90 ? 10 HIS H CB 1 +ATOM 1447 C CG . HIS H 2 10 ? 10.848 7.408 12.351 1.00 10.68 ? 10 HIS H CG 1 +ATOM 1448 N ND1 . HIS H 2 10 ? 9.941 6.747 13.020 1.00 11.15 ? 10 HIS H ND1 1 +ATOM 1449 C CD2 . HIS H 2 10 ? 12.046 7.088 12.875 1.00 11.41 ? 10 HIS H CD2 1 +ATOM 1450 C CE1 . HIS H 2 10 ? 10.528 6.021 13.891 1.00 12.02 ? 10 HIS H CE1 1 +ATOM 1451 N NE2 . HIS H 2 10 ? 11.803 6.221 13.800 1.00 11.19 ? 10 HIS H NE2 1 +ATOM 1452 N N . LEU H 2 11 ? 10.945 8.983 7.974 1.00 11.40 ? 11 LEU H N 1 +ATOM 1453 C CA . LEU H 2 11 ? 10.186 9.590 6.891 1.00 13.97 ? 11 LEU H CA 1 +ATOM 1454 C C . LEU H 2 11 ? 9.736 8.498 5.964 1.00 14.57 ? 11 LEU H C 1 +ATOM 1455 O O . LEU H 2 11 ? 8.557 8.349 5.745 1.00 17.30 ? 11 LEU H O 1 +ATOM 1456 C CB . LEU H 2 11 ? 11.004 10.537 6.055 1.00 12.66 ? 11 LEU H CB 1 +ATOM 1457 C CG . LEU H 2 11 ? 11.030 11.970 6.443 1.00 14.89 ? 11 LEU H CG 1 +ATOM 1458 C CD1 . LEU H 2 11 ? 12.247 12.613 5.816 1.00 15.17 ? 11 LEU H CD1 1 +ATOM 1459 C CD2 . LEU H 2 11 ? 9.716 12.607 6.062 1.00 13.94 ? 11 LEU H CD2 1 +ATOM 1460 N N . VAL H 2 12 ? 10.594 7.624 5.522 1.00 14.34 ? 12 VAL H N 1 +ATOM 1461 C CA . VAL H 2 12 ? 10.260 6.602 4.532 1.00 17.06 ? 12 VAL H CA 1 +ATOM 1462 C C . VAL H 2 12 ? 9.032 5.756 4.924 1.00 21.43 ? 12 VAL H C 1 +ATOM 1463 O O . VAL H 2 12 ? 8.245 5.333 4.073 1.00 26.39 ? 12 VAL H O 1 +ATOM 1464 C CB . VAL H 2 12 ? 11.681 5.885 4.355 1.00 13.85 ? 12 VAL H CB 1 +ATOM 1465 C CG1 . VAL H 2 12 ? 11.560 4.431 4.266 1.00 9.28 ? 12 VAL H CG1 1 +ATOM 1466 C CG2 . VAL H 2 12 ? 12.386 6.412 3.114 1.00 12.88 ? 12 VAL H CG2 1 +ATOM 1467 N N . GLU H 2 13 ? 8.716 5.558 6.188 1.00 19.83 ? 13 GLU H N 1 +ATOM 1468 C CA . GLU H 2 13 ? 7.501 4.847 6.565 1.00 19.72 ? 13 GLU H CA 1 +ATOM 1469 C C . GLU H 2 13 ? 6.251 5.763 6.605 1.00 18.26 ? 13 GLU H C 1 +ATOM 1470 O O . GLU H 2 13 ? 5.123 5.306 6.376 1.00 15.71 ? 13 GLU H O 1 +ATOM 1471 C CB . GLU H 2 13 ? 7.698 4.247 7.915 1.00 26.41 ? 13 GLU H CB 1 +ATOM 1472 C CG . GLU H 2 13 ? 8.978 3.465 7.961 1.00 36.18 ? 13 GLU H CG 1 +ATOM 1473 C CD . GLU H 2 13 ? 8.950 2.724 9.270 1.00 40.74 ? 13 GLU H CD 1 +ATOM 1474 O OE1 . GLU H 2 13 ? 8.191 1.747 9.283 1.00 46.18 ? 13 GLU H OE1 1 +ATOM 1475 O OE2 . GLU H 2 13 ? 9.635 3.118 10.235 1.00 34.60 ? 13 GLU H OE2 1 +ATOM 1476 N N . ALA H 2 14 ? 6.458 7.057 6.931 1.00 11.52 ? 14 ALA H N 1 +ATOM 1477 C CA . ALA H 2 14 ? 5.502 8.127 6.858 1.00 11.71 ? 14 ALA H CA 1 +ATOM 1478 C C . ALA H 2 14 ? 5.017 8.304 5.402 1.00 13.67 ? 14 ALA H C 1 +ATOM 1479 O O . ALA H 2 14 ? 3.827 8.292 5.062 1.00 15.89 ? 14 ALA H O 1 +ATOM 1480 C CB . ALA H 2 14 ? 6.154 9.417 7.298 1.00 11.38 ? 14 ALA H CB 1 +ATOM 1481 N N . LEU H 2 15 ? 5.957 8.490 4.487 1.00 13.51 ? 15 LEU H N 1 +ATOM 1482 C CA . LEU H 2 15 ? 5.656 8.529 3.086 1.00 13.92 ? 15 LEU H CA 1 +ATOM 1483 C C . LEU H 2 15 ? 4.993 7.214 2.731 1.00 16.11 ? 15 LEU H C 1 +ATOM 1484 O O . LEU H 2 15 ? 3.917 7.278 2.155 1.00 19.52 ? 15 LEU H O 1 +ATOM 1485 C CB . LEU H 2 15 ? 6.937 8.753 2.252 1.00 9.40 ? 15 LEU H CB 1 +ATOM 1486 C CG . LEU H 2 15 ? 7.424 10.216 2.297 1.00 12.04 ? 15 LEU H CG 1 +ATOM 1487 C CD1 . LEU H 2 15 ? 8.655 10.423 1.456 1.00 9.48 ? 15 LEU H CD1 1 +ATOM 1488 C CD2 . LEU H 2 15 ? 6.281 11.115 1.854 1.00 14.41 ? 15 LEU H CD2 1 +ATOM 1489 N N . TYR H 2 16 ? 5.457 6.023 3.085 1.00 17.08 ? 16 TYR H N 1 +ATOM 1490 C CA . TYR H 2 16 ? 4.786 4.820 2.654 1.00 17.56 ? 16 TYR H CA 1 +ATOM 1491 C C . TYR H 2 16 ? 3.319 4.776 3.050 1.00 19.34 ? 16 TYR H C 1 +ATOM 1492 O O . TYR H 2 16 ? 2.500 4.324 2.244 1.00 24.73 ? 16 TYR H O 1 +ATOM 1493 C CB . TYR H 2 16 ? 5.573 3.621 3.198 1.00 15.67 ? 16 TYR H CB 1 +ATOM 1494 C CG . TYR H 2 16 ? 4.889 2.303 2.919 1.00 15.48 ? 16 TYR H CG 1 +ATOM 1495 C CD1 . TYR H 2 16 ? 3.952 1.879 3.842 1.00 16.74 ? 16 TYR H CD1 1 +ATOM 1496 C CD2 . TYR H 2 16 ? 5.118 1.548 1.787 1.00 17.00 ? 16 TYR H CD2 1 +ATOM 1497 C CE1 . TYR H 2 16 ? 3.222 0.729 3.666 1.00 13.97 ? 16 TYR H CE1 1 +ATOM 1498 C CE2 . TYR H 2 16 ? 4.383 0.375 1.613 1.00 17.75 ? 16 TYR H CE2 1 +ATOM 1499 C CZ . TYR H 2 16 ? 3.438 -0.012 2.546 1.00 16.21 ? 16 TYR H CZ 1 +ATOM 1500 O OH . TYR H 2 16 ? 2.615 -1.094 2.372 1.00 16.61 ? 16 TYR H OH 1 +ATOM 1501 N N . LEU H 2 17 ? 2.946 5.279 4.222 1.00 19.74 ? 17 LEU H N 1 +ATOM 1502 C CA . LEU H 2 17 ? 1.580 5.212 4.712 1.00 17.08 ? 17 LEU H CA 1 +ATOM 1503 C C . LEU H 2 17 ? 0.730 6.315 4.126 1.00 16.83 ? 17 LEU H C 1 +ATOM 1504 O O . LEU H 2 17 ? -0.389 5.966 3.760 1.00 19.85 ? 17 LEU H O 1 +ATOM 1505 C CB . LEU H 2 17 ? 1.591 5.285 6.256 1.00 19.71 ? 17 LEU H CB 1 +ATOM 1506 C CG . LEU H 2 17 ? 1.381 4.078 7.236 1.00 24.32 ? 17 LEU H CG 1 +ATOM 1507 C CD1 . LEU H 2 17 ? 2.048 2.769 6.760 1.00 24.92 ? 17 LEU H CD1 1 +ATOM 1508 C CD2 . LEU H 2 17 ? 1.948 4.514 8.588 1.00 21.85 ? 17 LEU H CD2 1 +ATOM 1509 N N . VAL H 2 18 ? 1.124 7.597 3.970 1.00 17.30 ? 18 VAL H N 1 +ATOM 1510 C CA . VAL H 2 18 ? 0.211 8.588 3.356 1.00 22.02 ? 18 VAL H CA 1 +ATOM 1511 C C . VAL H 2 18 ? 0.073 8.406 1.829 1.00 22.29 ? 18 VAL H C 1 +ATOM 1512 O O . VAL H 2 18 ? -1.061 8.491 1.308 1.00 22.25 ? 18 VAL H O 1 +ATOM 1513 C CB . VAL H 2 18 ? 0.597 10.160 3.658 1.00 21.94 ? 18 VAL H CB 1 +ATOM 1514 C CG1 . VAL H 2 18 ? 1.547 10.238 4.797 1.00 25.60 ? 18 VAL H CG1 1 +ATOM 1515 C CG2 . VAL H 2 18 ? 1.329 10.885 2.569 1.00 17.90 ? 18 VAL H CG2 1 +ATOM 1516 N N . CYS H 2 19 ? 1.191 8.149 1.106 1.00 20.21 ? 19 CYS H N 1 +ATOM 1517 C CA . CYS H 2 19 ? 1.171 7.908 -0.337 1.00 19.07 ? 19 CYS H CA 1 +ATOM 1518 C C . CYS H 2 19 ? 0.454 6.661 -0.816 1.00 19.09 ? 19 CYS H C 1 +ATOM 1519 O O . CYS H 2 19 ? 0.274 6.560 -2.033 1.00 22.76 ? 19 CYS H O 1 +ATOM 1520 C CB . CYS H 2 19 ? 2.517 7.773 -0.944 1.00 17.84 ? 19 CYS H CB 1 +ATOM 1521 S SG . CYS H 2 19 ? 3.596 9.141 -0.558 1.00 21.40 ? 19 CYS H SG 1 +ATOM 1522 N N . GLY H 2 20 ? 0.061 5.659 -0.024 1.00 17.20 ? 20 GLY H N 1 +ATOM 1523 C CA . GLY H 2 20 ? -0.743 4.512 -0.500 1.00 19.17 ? 20 GLY H CA 1 +ATOM 1524 C C . GLY H 2 20 ? -0.435 3.889 -1.867 1.00 18.08 ? 20 GLY H C 1 +ATOM 1525 O O . GLY H 2 20 ? 0.714 3.770 -2.221 1.00 21.12 ? 20 GLY H O 1 +ATOM 1526 N N . GLU H 2 21 ? -1.357 3.464 -2.728 1.00 21.21 ? 21 GLU H N 1 +ATOM 1527 C CA . GLU H 2 21 ? -1.069 2.890 -4.063 1.00 18.84 ? 21 GLU H CA 1 +ATOM 1528 C C . GLU H 2 21 ? -0.084 3.736 -4.856 1.00 17.32 ? 21 GLU H C 1 +ATOM 1529 O O . GLU H 2 21 ? 0.713 3.239 -5.609 1.00 17.87 ? 21 GLU H O 1 +ATOM 1530 C CB . GLU H 2 21 ? -2.395 2.779 -4.922 1.00 25.96 ? 21 GLU H CB 1 +ATOM 1531 C CG . GLU H 2 21 ? -3.058 3.935 -5.820 1.00 28.12 ? 21 GLU H CG 1 +ATOM 1532 C CD . GLU H 2 21 ? -2.739 4.088 -7.353 1.00 32.21 ? 21 GLU H CD 1 +ATOM 1533 O OE1 . GLU H 2 21 ? -2.543 3.108 -8.097 1.00 30.88 ? 21 GLU H OE1 1 +ATOM 1534 O OE2 . GLU H 2 21 ? -2.680 5.229 -7.832 1.00 32.37 ? 21 GLU H OE2 1 +ATOM 1535 N N . ARG H 2 22 ? -0.142 5.040 -4.677 1.00 17.03 ? 22 ARG H N 1 +ATOM 1536 C CA . ARG H 2 22 ? 0.589 6.007 -5.458 1.00 18.45 ? 22 ARG H CA 1 +ATOM 1537 C C . ARG H 2 22 ? 2.076 5.773 -5.506 1.00 17.51 ? 22 ARG H C 1 +ATOM 1538 O O . ARG H 2 22 ? 2.682 5.767 -6.574 1.00 20.53 ? 22 ARG H O 1 +ATOM 1539 C CB . ARG H 2 22 ? 0.254 7.331 -4.858 1.00 20.07 ? 22 ARG H CB 1 +ATOM 1540 C CG . ARG H 2 22 ? 0.046 8.414 -5.826 1.00 22.07 ? 22 ARG H CG 1 +ATOM 1541 C CD . ARG H 2 22 ? -0.843 9.293 -5.031 1.00 26.00 ? 22 ARG H CD 1 +ATOM 1542 N NE . ARG H 2 22 ? -0.322 10.638 -5.057 1.00 26.30 ? 22 ARG H NE 1 +ATOM 1543 C CZ . ARG H 2 22 ? -0.714 11.511 -4.138 1.00 33.56 ? 22 ARG H CZ 1 +ATOM 1544 N NH1 . ARG H 2 22 ? -1.616 11.177 -3.168 1.00 32.43 ? 22 ARG H NH1 1 +ATOM 1545 N NH2 . ARG H 2 22 ? -0.121 12.706 -4.188 1.00 33.88 ? 22 ARG H NH2 1 +ATOM 1546 N N . GLY H 2 23 ? 2.670 5.581 -4.331 1.00 15.77 ? 23 GLY H N 1 +ATOM 1547 C CA . GLY H 2 23 ? 4.062 5.273 -4.247 1.00 12.23 ? 23 GLY H CA 1 +ATOM 1548 C C . GLY H 2 23 ? 4.843 6.507 -4.126 1.00 10.15 ? 23 GLY H C 1 +ATOM 1549 O O . GLY H 2 23 ? 4.336 7.616 -3.992 1.00 11.15 ? 23 GLY H O 1 +ATOM 1550 N N . PHE H 2 24 ? 6.141 6.321 -4.062 1.00 12.26 ? 24 PHE H N 1 +ATOM 1551 C CA . PHE H 2 24 ? 7.035 7.461 -3.895 1.00 14.96 ? 24 PHE H CA 1 +ATOM 1552 C C . PHE H 2 24 ? 8.516 7.166 -4.274 1.00 17.97 ? 24 PHE H C 1 +ATOM 1553 O O . PHE H 2 24 ? 8.906 6.009 -4.459 1.00 12.57 ? 24 PHE H O 1 +ATOM 1554 C CB . PHE H 2 24 ? 6.904 7.960 -2.403 1.00 13.66 ? 24 PHE H CB 1 +ATOM 1555 C CG . PHE H 2 24 ? 7.453 7.033 -1.320 1.00 11.96 ? 24 PHE H CG 1 +ATOM 1556 C CD1 . PHE H 2 24 ? 8.818 6.934 -1.112 1.00 9.72 ? 24 PHE H CD1 1 +ATOM 1557 C CD2 . PHE H 2 24 ? 6.581 6.265 -0.587 1.00 10.40 ? 24 PHE H CD2 1 +ATOM 1558 C CE1 . PHE H 2 24 ? 9.306 6.073 -0.189 1.00 10.80 ? 24 PHE H CE1 1 +ATOM 1559 C CE2 . PHE H 2 24 ? 7.111 5.413 0.337 1.00 10.55 ? 24 PHE H CE2 1 +ATOM 1560 C CZ . PHE H 2 24 ? 8.455 5.311 0.539 1.00 10.51 ? 24 PHE H CZ 1 +ATOM 1561 N N . PHE H 2 25 ? 9.309 8.227 -4.507 1.00 21.37 ? 25 PHE H N 1 +ATOM 1562 C CA . PHE H 2 25 ? 10.769 8.165 -4.617 1.00 25.73 ? 25 PHE H CA 1 +ATOM 1563 C C . PHE H 2 25 ? 11.318 8.866 -3.393 1.00 26.68 ? 25 PHE H C 1 +ATOM 1564 O O . PHE H 2 25 ? 10.832 9.922 -2.916 1.00 26.41 ? 25 PHE H O 1 +ATOM 1565 C CB . PHE H 2 25 ? 11.427 8.954 -5.756 1.00 28.75 ? 25 PHE H CB 1 +ATOM 1566 C CG . PHE H 2 25 ? 11.317 8.366 -7.143 1.00 32.63 ? 25 PHE H CG 1 +ATOM 1567 C CD1 . PHE H 2 25 ? 10.092 8.248 -7.785 1.00 31.11 ? 25 PHE H CD1 1 +ATOM 1568 C CD2 . PHE H 2 25 ? 12.483 7.962 -7.760 1.00 34.74 ? 25 PHE H CD2 1 +ATOM 1569 C CE1 . PHE H 2 25 ? 10.048 7.714 -9.055 1.00 29.54 ? 25 PHE H CE1 1 +ATOM 1570 C CE2 . PHE H 2 25 ? 12.411 7.436 -9.032 1.00 35.35 ? 25 PHE H CE2 1 +ATOM 1571 C CZ . PHE H 2 25 ? 11.196 7.311 -9.676 1.00 31.15 ? 25 PHE H CZ 1 +ATOM 1572 N N . TYR H 2 26 ? 12.361 8.233 -2.884 1.00 25.84 ? 26 TYR H N 1 +ATOM 1573 C CA . TYR H 2 26 ? 13.094 8.830 -1.809 1.00 25.84 ? 26 TYR H CA 1 +ATOM 1574 C C . TYR H 2 26 ? 14.392 9.264 -2.428 1.00 27.84 ? 26 TYR H C 1 +ATOM 1575 O O . TYR H 2 26 ? 15.220 8.433 -2.788 1.00 29.13 ? 26 TYR H O 1 +ATOM 1576 C CB . TYR H 2 26 ? 13.426 7.859 -0.682 1.00 24.21 ? 26 TYR H CB 1 +ATOM 1577 C CG . TYR H 2 26 ? 14.063 8.554 0.526 1.00 23.12 ? 26 TYR H CG 1 +ATOM 1578 C CD1 . TYR H 2 26 ? 13.320 9.562 1.091 1.00 19.88 ? 26 TYR H CD1 1 +ATOM 1579 C CD2 . TYR H 2 26 ? 15.300 8.207 1.046 1.00 18.35 ? 26 TYR H CD2 1 +ATOM 1580 C CE1 . TYR H 2 26 ? 13.785 10.256 2.155 1.00 18.83 ? 26 TYR H CE1 1 +ATOM 1581 C CE2 . TYR H 2 26 ? 15.758 8.905 2.122 1.00 11.30 ? 26 TYR H CE2 1 +ATOM 1582 C CZ . TYR H 2 26 ? 14.989 9.912 2.667 1.00 19.48 ? 26 TYR H CZ 1 +ATOM 1583 O OH . TYR H 2 26 ? 15.373 10.640 3.786 1.00 26.40 ? 26 TYR H OH 1 +ATOM 1584 N N . THR H 2 27 ? 14.518 10.587 -2.514 1.00 31.17 ? 27 THR H N 1 +ATOM 1585 C CA . THR H 2 27 ? 15.746 11.290 -2.901 1.00 31.84 ? 27 THR H CA 1 +ATOM 1586 C C . THR H 2 27 ? 16.185 12.159 -1.689 1.00 28.84 ? 27 THR H C 1 +ATOM 1587 O O . THR H 2 27 ? 15.585 13.188 -1.351 1.00 23.55 ? 27 THR H O 1 +ATOM 1588 C CB . THR H 2 27 ? 15.451 12.153 -4.189 1.00 32.73 ? 27 THR H CB 1 +ATOM 1589 O OG1 . THR H 2 27 ? 15.209 11.239 -5.256 1.00 36.20 ? 27 THR H OG1 1 +ATOM 1590 C CG2 . THR H 2 27 ? 16.595 13.049 -4.614 1.00 37.51 ? 27 THR H CG2 1 +ATOM 1591 N N . PRO H 2 28 ? 17.210 11.697 -0.967 1.00 32.09 ? 28 PRO H N 1 +ATOM 1592 C CA . PRO H 2 28 ? 18.187 12.517 -0.209 1.00 37.28 ? 28 PRO H CA 1 +ATOM 1593 C C . PRO H 2 28 ? 19.259 13.450 -0.878 1.00 40.24 ? 28 PRO H C 1 +ATOM 1594 O O . PRO H 2 28 ? 20.133 13.945 -0.144 1.00 43.38 ? 28 PRO H O 1 +ATOM 1595 C CB . PRO H 2 28 ? 18.846 11.499 0.727 1.00 33.05 ? 28 PRO H CB 1 +ATOM 1596 C CG . PRO H 2 28 ? 18.827 10.274 -0.130 1.00 33.55 ? 28 PRO H CG 1 +ATOM 1597 C CD . PRO H 2 28 ? 17.397 10.293 -0.664 1.00 31.65 ? 28 PRO H CD 1 +ATOM 1598 N N . LYS H 2 29 ? 19.393 13.681 -2.195 1.00 39.60 ? 29 LYS H N 1 +ATOM 1599 C CA . LYS H 2 29 ? 20.239 14.760 -2.687 1.00 38.83 ? 29 LYS H CA 1 +ATOM 1600 C C . LYS H 2 29 ? 19.149 15.572 -3.375 1.00 39.66 ? 29 LYS H C 1 +ATOM 1601 O O . LYS H 2 29 ? 18.823 15.442 -4.561 1.00 39.22 ? 29 LYS H O 1 +ATOM 1602 C CB . LYS H 2 29 ? 21.256 14.239 -3.665 1.00 35.14 ? 29 LYS H CB 1 +ATOM 1603 C CG . LYS H 2 29 ? 22.309 13.466 -2.928 1.00 36.34 ? 29 LYS H CG 1 +ATOM 1604 C CD . LYS H 2 29 ? 23.069 12.727 -4.007 1.00 38.14 ? 29 LYS H CD 1 +ATOM 1605 C CE . LYS H 2 29 ? 24.296 12.079 -3.364 1.00 37.92 ? 29 LYS H CE 1 +ATOM 1606 N NZ . LYS H 2 29 ? 24.962 11.198 -4.315 1.00 39.36 ? 29 LYS H NZ 1 +ATOM 1607 N N . ALA H 2 30 ? 18.439 16.231 -2.465 1.00 41.96 ? 30 ALA H N 1 +ATOM 1608 C CA . ALA H 2 30 ? 17.300 17.113 -2.691 1.00 41.57 ? 30 ALA H CA 1 +ATOM 1609 C C . ALA H 2 30 ? 16.974 17.655 -1.284 1.00 41.28 ? 30 ALA H C 1 +ATOM 1610 O O . ALA H 2 30 ? 16.783 16.881 -0.316 1.00 39.93 ? 30 ALA H O 1 +ATOM 1611 C CB . ALA H 2 30 ? 16.066 16.364 -3.189 1.00 41.28 ? 30 ALA H CB 1 +ATOM 1612 O OXT . ALA H 2 30 ? 16.945 18.882 -1.135 1.00 39.57 ? 30 ALA H OXT 1 +ATOM 1613 N N . GLY I 1 1 ? 16.200 -20.806 18.524 1.00 31.70 ? 1 GLY I N 1 +ATOM 1614 C CA . GLY I 1 1 ? 15.396 -21.635 19.423 1.00 32.33 ? 1 GLY I CA 1 +ATOM 1615 C C . GLY I 1 1 ? 14.378 -20.699 20.009 1.00 30.42 ? 1 GLY I C 1 +ATOM 1616 O O . GLY I 1 1 ? 14.605 -20.131 21.053 1.00 30.07 ? 1 GLY I O 1 +ATOM 1617 N N . ILE I 1 2 ? 13.274 -20.477 19.339 1.00 33.16 ? 2 ILE I N 1 +ATOM 1618 C CA . ILE I 1 2 ? 12.356 -19.382 19.677 1.00 32.56 ? 2 ILE I CA 1 +ATOM 1619 C C . ILE I 1 2 ? 11.233 -19.760 18.654 1.00 34.45 ? 2 ILE I C 1 +ATOM 1620 O O . ILE I 1 2 ? 10.562 -20.772 18.876 1.00 33.44 ? 2 ILE I O 1 +ATOM 1621 C CB . ILE I 1 2 ? 13.176 -17.967 19.427 1.00 28.27 ? 2 ILE I CB 1 +ATOM 1622 C CG1 . ILE I 1 2 ? 12.334 -16.768 19.533 1.00 24.30 ? 2 ILE I CG1 1 +ATOM 1623 C CG2 . ILE I 1 2 ? 13.803 -17.838 18.039 1.00 30.89 ? 2 ILE I CG2 1 +ATOM 1624 C CD1 . ILE I 1 2 ? 13.347 -15.569 19.526 1.00 26.54 ? 2 ILE I CD1 1 +ATOM 1625 N N . VAL I 1 3 ? 11.383 -19.440 17.340 1.00 37.76 ? 3 VAL I N 1 +ATOM 1626 C CA . VAL I 1 3 ? 10.464 -19.493 16.176 1.00 37.64 ? 3 VAL I CA 1 +ATOM 1627 C C . VAL I 1 3 ? 9.193 -20.286 16.168 1.00 37.57 ? 3 VAL I C 1 +ATOM 1628 O O . VAL I 1 3 ? 8.110 -19.939 15.763 1.00 39.03 ? 3 VAL I O 1 +ATOM 1629 C CB . VAL I 1 3 ? 11.334 -19.775 14.925 1.00 41.22 ? 3 VAL I CB 1 +ATOM 1630 C CG1 . VAL I 1 3 ? 10.622 -20.554 13.801 1.00 42.91 ? 3 VAL I CG1 1 +ATOM 1631 C CG2 . VAL I 1 3 ? 11.786 -18.428 14.427 1.00 34.56 ? 3 VAL I CG2 1 +ATOM 1632 N N . GLU I 1 4 ? 9.562 -21.470 16.573 1.00 36.76 ? 4 GLU I N 1 +ATOM 1633 C CA . GLU I 1 4 ? 8.649 -22.547 16.889 1.00 39.08 ? 4 GLU I CA 1 +ATOM 1634 C C . GLU I 1 4 ? 7.538 -22.061 17.830 1.00 41.39 ? 4 GLU I C 1 +ATOM 1635 O O . GLU I 1 4 ? 6.396 -22.419 17.667 1.00 41.46 ? 4 GLU I O 1 +ATOM 1636 C CB . GLU I 1 4 ? 9.530 -23.615 17.551 1.00 37.89 ? 4 GLU I CB 1 +ATOM 1637 C CG . GLU I 1 4 ? 8.876 -24.941 17.855 1.00 40.29 ? 4 GLU I CG 1 +ATOM 1638 C CD . GLU I 1 4 ? 9.338 -26.058 16.918 1.00 41.54 ? 4 GLU I CD 1 +ATOM 1639 O OE1 . GLU I 1 4 ? 9.313 -25.894 15.706 1.00 44.38 ? 4 GLU I OE1 1 +ATOM 1640 O OE2 . GLU I 1 4 ? 9.733 -27.129 17.361 1.00 39.90 ? 4 GLU I OE2 1 +ATOM 1641 N N . GLN I 1 5 ? 7.916 -21.208 18.803 1.00 42.81 ? 5 GLN I N 1 +ATOM 1642 C CA . GLN I 1 5 ? 7.112 -20.692 19.905 1.00 39.43 ? 5 GLN I CA 1 +ATOM 1643 C C . GLN I 1 5 ? 6.536 -19.330 19.455 1.00 37.30 ? 5 GLN I C 1 +ATOM 1644 O O . GLN I 1 5 ? 5.386 -19.317 19.010 1.00 38.18 ? 5 GLN I O 1 +ATOM 1645 C CB . GLN I 1 5 ? 8.083 -20.638 21.180 1.00 38.93 ? 5 GLN I CB 1 +ATOM 1646 C CG . GLN I 1 5 ? 8.152 -21.909 22.071 1.00 40.31 ? 5 GLN I CG 1 +ATOM 1647 C CD . GLN I 1 5 ? 9.488 -22.605 22.360 1.00 41.70 ? 5 GLN I CD 1 +ATOM 1648 O OE1 . GLN I 1 5 ? 9.644 -23.223 23.408 1.00 41.39 ? 5 GLN I OE1 1 +ATOM 1649 N NE2 . GLN I 1 5 ? 10.480 -22.672 21.471 1.00 47.61 ? 5 GLN I NE2 1 +ATOM 1650 N N . CYS I 1 6 ? 7.320 -18.258 19.257 1.00 33.55 ? 6 CYS I N 1 +ATOM 1651 C CA . CYS I 1 6 ? 6.815 -16.902 18.981 1.00 29.92 ? 6 CYS I CA 1 +ATOM 1652 C C . CYS I 1 6 ? 6.167 -16.461 17.693 1.00 27.82 ? 6 CYS I C 1 +ATOM 1653 O O . CYS I 1 6 ? 5.620 -15.371 17.609 1.00 26.31 ? 6 CYS I O 1 +ATOM 1654 C CB . CYS I 1 6 ? 7.917 -15.894 19.280 1.00 30.16 ? 6 CYS I CB 1 +ATOM 1655 S SG . CYS I 1 6 ? 8.703 -16.293 20.857 1.00 33.34 ? 6 CYS I SG 1 +ATOM 1656 N N . CYS I 1 7 ? 6.211 -17.274 16.659 1.00 29.78 ? 7 CYS I N 1 +ATOM 1657 C CA . CYS I 1 7 ? 5.531 -16.940 15.400 1.00 29.70 ? 7 CYS I CA 1 +ATOM 1658 C C . CYS I 1 7 ? 4.364 -17.922 15.012 1.00 32.56 ? 7 CYS I C 1 +ATOM 1659 O O . CYS I 1 7 ? 3.579 -17.612 14.089 1.00 29.33 ? 7 CYS I O 1 +ATOM 1660 C CB . CYS I 1 7 ? 6.620 -16.855 14.283 1.00 28.91 ? 7 CYS I CB 1 +ATOM 1661 S SG . CYS I 1 7 ? 7.978 -15.630 14.410 1.00 21.56 ? 7 CYS I SG 1 +ATOM 1662 N N . THR I 1 8 ? 4.179 -19.094 15.701 1.00 32.26 ? 8 THR I N 1 +ATOM 1663 C CA . THR I 1 8 ? 3.060 -19.987 15.442 1.00 33.19 ? 8 THR I CA 1 +ATOM 1664 C C . THR I 1 8 ? 1.964 -19.529 16.418 1.00 35.93 ? 8 THR I C 1 +ATOM 1665 O O . THR I 1 8 ? 0.799 -19.256 16.009 1.00 42.58 ? 8 THR I O 1 +ATOM 1666 C CB . THR I 1 8 ? 3.522 -21.454 15.662 1.00 33.50 ? 8 THR I CB 1 +ATOM 1667 O OG1 . THR I 1 8 ? 4.368 -21.825 14.562 1.00 31.65 ? 8 THR I OG1 1 +ATOM 1668 C CG2 . THR I 1 8 ? 2.366 -22.438 15.700 1.00 34.12 ? 8 THR I CG2 1 +ATOM 1669 N N . SER I 1 9 ? 2.277 -19.403 17.717 1.00 36.41 ? 9 SER I N 1 +ATOM 1670 C CA . SER I 1 9 ? 1.422 -18.655 18.630 1.00 33.37 ? 9 SER I CA 1 +ATOM 1671 C C . SER I 1 9 ? 2.255 -17.387 18.872 1.00 31.04 ? 9 SER I C 1 +ATOM 1672 O O . SER I 1 9 ? 3.291 -17.175 18.245 1.00 31.33 ? 9 SER I O 1 +ATOM 1673 C CB . SER I 1 9 ? 1.187 -19.443 19.927 1.00 32.52 ? 9 SER I CB 1 +ATOM 1674 O OG . SER I 1 9 ? 0.013 -20.277 19.847 1.00 31.91 ? 9 SER I OG 1 +ATOM 1675 N N . ILE I 1 10 ? 1.790 -16.419 19.629 1.00 30.87 ? 10 ILE I N 1 +ATOM 1676 C CA . ILE I 1 10 ? 2.615 -15.279 20.082 1.00 30.65 ? 10 ILE I CA 1 +ATOM 1677 C C . ILE I 1 10 ? 3.459 -15.849 21.248 1.00 32.34 ? 10 ILE I C 1 +ATOM 1678 O O . ILE I 1 10 ? 3.125 -16.948 21.758 1.00 30.52 ? 10 ILE I O 1 +ATOM 1679 C CB . ILE I 1 10 ? 1.714 -14.130 20.648 1.00 30.79 ? 10 ILE I CB 1 +ATOM 1680 C CG1 . ILE I 1 10 ? 0.745 -14.643 21.741 1.00 28.91 ? 10 ILE I CG1 1 +ATOM 1681 C CG2 . ILE I 1 10 ? 0.909 -13.562 19.529 1.00 31.14 ? 10 ILE I CG2 1 +ATOM 1682 C CD1 . ILE I 1 10 ? -0.100 -13.610 22.510 1.00 29.90 ? 10 ILE I CD1 1 +ATOM 1683 N N . CYS I 1 11 ? 4.524 -15.131 21.659 1.00 30.65 ? 11 CYS I N 1 +ATOM 1684 C CA . CYS I 1 11 ? 5.172 -15.427 22.931 1.00 27.86 ? 11 CYS I CA 1 +ATOM 1685 C C . CYS I 1 11 ? 4.908 -14.233 23.793 1.00 25.49 ? 11 CYS I C 1 +ATOM 1686 O O . CYS I 1 11 ? 4.696 -13.090 23.361 1.00 25.68 ? 11 CYS I O 1 +ATOM 1687 C CB . CYS I 1 11 ? 6.666 -15.536 22.900 1.00 25.85 ? 11 CYS I CB 1 +ATOM 1688 S SG . CYS I 1 11 ? 7.256 -16.993 22.053 1.00 31.39 ? 11 CYS I SG 1 +ATOM 1689 N N . SER I 1 12 ? 4.844 -14.493 25.072 1.00 23.55 ? 12 SER I N 1 +ATOM 1690 C CA . SER I 1 12 ? 4.716 -13.405 26.022 1.00 19.77 ? 12 SER I CA 1 +ATOM 1691 C C . SER I 1 12 ? 6.089 -12.835 26.373 1.00 17.22 ? 12 SER I C 1 +ATOM 1692 O O . SER I 1 12 ? 7.124 -13.455 26.111 1.00 19.67 ? 12 SER I O 1 +ATOM 1693 C CB . SER I 1 12 ? 4.018 -13.967 27.234 1.00 17.05 ? 12 SER I CB 1 +ATOM 1694 O OG . SER I 1 12 ? 2.637 -13.958 26.980 1.00 28.36 ? 12 SER I OG 1 +ATOM 1695 N N . LEU I 1 13 ? 6.169 -11.697 27.069 1.00 13.81 ? 13 LEU I N 1 +ATOM 1696 C CA . LEU I 1 13 ? 7.443 -11.083 27.420 1.00 13.75 ? 13 LEU I CA 1 +ATOM 1697 C C . LEU I 1 13 ? 8.308 -11.824 28.389 1.00 16.73 ? 13 LEU I C 1 +ATOM 1698 O O . LEU I 1 13 ? 9.533 -11.824 28.374 1.00 14.83 ? 13 LEU I O 1 +ATOM 1699 C CB . LEU I 1 13 ? 7.205 -9.739 27.962 1.00 10.98 ? 13 LEU I CB 1 +ATOM 1700 C CG . LEU I 1 13 ? 6.466 -9.018 26.895 1.00 13.42 ? 13 LEU I CG 1 +ATOM 1701 C CD1 . LEU I 1 13 ? 5.104 -8.804 27.496 1.00 16.95 ? 13 LEU I CD1 1 +ATOM 1702 C CD2 . LEU I 1 13 ? 7.199 -7.826 26.370 1.00 12.57 ? 13 LEU I CD2 1 +ATOM 1703 N N . TYR I 1 14 ? 7.561 -12.568 29.166 1.00 20.77 ? 14 TYR I N 1 +ATOM 1704 C CA . TYR I 1 14 ? 8.098 -13.372 30.224 1.00 26.51 ? 14 TYR I CA 1 +ATOM 1705 C C . TYR I 1 14 ? 8.762 -14.425 29.391 1.00 26.85 ? 14 TYR I C 1 +ATOM 1706 O O . TYR I 1 14 ? 9.965 -14.434 29.385 1.00 29.42 ? 14 TYR I O 1 +ATOM 1707 C CB . TYR I 1 14 ? 6.992 -13.957 31.104 1.00 26.89 ? 14 TYR I CB 1 +ATOM 1708 C CG . TYR I 1 14 ? 5.792 -13.032 31.255 1.00 35.66 ? 14 TYR I CG 1 +ATOM 1709 C CD1 . TYR I 1 14 ? 4.816 -13.081 30.273 1.00 37.52 ? 14 TYR I CD1 1 +ATOM 1710 C CD2 . TYR I 1 14 ? 5.612 -12.178 32.339 1.00 38.49 ? 14 TYR I CD2 1 +ATOM 1711 C CE1 . TYR I 1 14 ? 3.661 -12.304 30.340 1.00 41.95 ? 14 TYR I CE1 1 +ATOM 1712 C CE2 . TYR I 1 14 ? 4.450 -11.404 32.415 1.00 41.55 ? 14 TYR I CE2 1 +ATOM 1713 C CZ . TYR I 1 14 ? 3.462 -11.468 31.419 1.00 40.84 ? 14 TYR I CZ 1 +ATOM 1714 O OH . TYR I 1 14 ? 2.244 -10.775 31.492 1.00 44.95 ? 14 TYR I OH 1 +ATOM 1715 N N . GLN I 1 15 ? 8.144 -15.188 28.518 1.00 30.98 ? 15 GLN I N 1 +ATOM 1716 C CA . GLN I 1 15 ? 8.915 -16.216 27.823 1.00 32.99 ? 15 GLN I CA 1 +ATOM 1717 C C . GLN I 1 15 ? 9.985 -15.654 26.867 1.00 32.91 ? 15 GLN I C 1 +ATOM 1718 O O . GLN I 1 15 ? 10.924 -16.396 26.611 1.00 37.47 ? 15 GLN I O 1 +ATOM 1719 C CB . GLN I 1 15 ? 7.875 -17.136 27.137 1.00 34.58 ? 15 GLN I CB 1 +ATOM 1720 C CG . GLN I 1 15 ? 8.211 -18.583 26.826 1.00 32.02 ? 15 GLN I CG 1 +ATOM 1721 C CD . GLN I 1 15 ? 8.909 -18.690 25.474 1.00 34.47 ? 15 GLN I CD 1 +ATOM 1722 O OE1 . GLN I 1 15 ? 8.607 -18.029 24.477 1.00 31.01 ? 15 GLN I OE1 1 +ATOM 1723 N NE2 . GLN I 1 15 ? 9.950 -19.499 25.381 1.00 37.77 ? 15 GLN I NE2 1 +ATOM 1724 N N . LEU I 1 16 ? 10.008 -14.403 26.372 1.00 31.57 ? 16 LEU I N 1 +ATOM 1725 C CA . LEU I 1 16 ? 11.119 -13.854 25.576 1.00 26.79 ? 16 LEU I CA 1 +ATOM 1726 C C . LEU I 1 16 ? 12.334 -13.555 26.461 1.00 28.89 ? 16 LEU I C 1 +ATOM 1727 O O . LEU I 1 16 ? 13.450 -13.567 25.916 1.00 29.85 ? 16 LEU I O 1 +ATOM 1728 C CB . LEU I 1 16 ? 10.792 -12.527 24.894 1.00 21.23 ? 16 LEU I CB 1 +ATOM 1729 C CG . LEU I 1 16 ? 10.168 -12.414 23.551 1.00 13.31 ? 16 LEU I CG 1 +ATOM 1730 C CD1 . LEU I 1 16 ? 9.428 -13.628 23.195 1.00 16.75 ? 16 LEU I CD1 1 +ATOM 1731 C CD2 . LEU I 1 16 ? 9.193 -11.299 23.605 1.00 11.05 ? 16 LEU I CD2 1 +ATOM 1732 N N . GLU I 1 17 ? 12.163 -13.290 27.790 1.00 28.03 ? 17 GLU I N 1 +ATOM 1733 C CA . GLU I 1 17 ? 13.265 -13.079 28.747 1.00 26.27 ? 17 GLU I CA 1 +ATOM 1734 C C . GLU I 1 17 ? 14.314 -14.189 28.734 1.00 26.58 ? 17 GLU I C 1 +ATOM 1735 O O . GLU I 1 17 ? 15.550 -14.010 28.792 1.00 26.05 ? 17 GLU I O 1 +ATOM 1736 C CB . GLU I 1 17 ? 12.808 -13.024 30.181 1.00 27.67 ? 17 GLU I CB 1 +ATOM 1737 C CG . GLU I 1 17 ? 12.298 -11.720 30.746 1.00 27.43 ? 17 GLU I CG 1 +ATOM 1738 C CD . GLU I 1 17 ? 12.110 -11.820 32.254 1.00 33.82 ? 17 GLU I CD 1 +ATOM 1739 O OE1 . GLU I 1 17 ? 11.132 -12.409 32.733 1.00 38.82 ? 17 GLU I OE1 1 +ATOM 1740 O OE2 . GLU I 1 17 ? 12.981 -11.329 32.958 1.00 31.08 ? 17 GLU I OE2 1 +ATOM 1741 N N . ASN I 1 18 ? 13.763 -15.380 28.504 1.00 26.49 ? 18 ASN I N 1 +ATOM 1742 C CA . ASN I 1 18 ? 14.502 -16.626 28.400 1.00 25.66 ? 18 ASN I CA 1 +ATOM 1743 C C . ASN I 1 18 ? 15.460 -16.674 27.224 1.00 27.30 ? 18 ASN I C 1 +ATOM 1744 O O . ASN I 1 18 ? 16.023 -17.737 26.912 1.00 30.46 ? 18 ASN I O 1 +ATOM 1745 C CB . ASN I 1 18 ? 13.504 -17.808 28.313 1.00 22.64 ? 18 ASN I CB 1 +ATOM 1746 C CG . ASN I 1 18 ? 12.652 -18.038 29.558 1.00 23.23 ? 18 ASN I CG 1 +ATOM 1747 O OD1 . ASN I 1 18 ? 12.862 -17.495 30.644 1.00 22.91 ? 18 ASN I OD1 1 +ATOM 1748 N ND2 . ASN I 1 18 ? 11.614 -18.859 29.478 1.00 21.03 ? 18 ASN I ND2 1 +ATOM 1749 N N . TYR I 1 19 ? 15.640 -15.558 26.501 1.00 26.12 ? 19 TYR I N 1 +ATOM 1750 C CA . TYR I 1 19 ? 16.570 -15.517 25.376 1.00 23.36 ? 19 TYR I CA 1 +ATOM 1751 C C . TYR I 1 19 ? 17.531 -14.370 25.480 1.00 19.59 ? 19 TYR I C 1 +ATOM 1752 O O . TYR I 1 19 ? 18.355 -14.058 24.626 1.00 16.35 ? 19 TYR I O 1 +ATOM 1753 C CB . TYR I 1 19 ? 15.786 -15.426 24.065 1.00 25.52 ? 19 TYR I CB 1 +ATOM 1754 C CG . TYR I 1 19 ? 14.747 -16.520 23.824 1.00 22.14 ? 19 TYR I CG 1 +ATOM 1755 C CD1 . TYR I 1 19 ? 15.039 -17.821 23.504 1.00 21.06 ? 19 TYR I CD1 1 +ATOM 1756 C CD2 . TYR I 1 19 ? 13.443 -16.140 23.975 1.00 27.74 ? 19 TYR I CD2 1 +ATOM 1757 C CE1 . TYR I 1 19 ? 13.998 -18.702 23.300 1.00 27.13 ? 19 TYR I CE1 1 +ATOM 1758 C CE2 . TYR I 1 19 ? 12.381 -16.995 23.778 1.00 28.28 ? 19 TYR I CE2 1 +ATOM 1759 C CZ . TYR I 1 19 ? 12.658 -18.299 23.447 1.00 28.64 ? 19 TYR I CZ 1 +ATOM 1760 O OH . TYR I 1 19 ? 11.547 -19.119 23.205 1.00 31.55 ? 19 TYR I OH 1 +ATOM 1761 N N . CYS I 1 20 ? 17.451 -13.723 26.606 1.00 23.11 ? 20 CYS I N 1 +ATOM 1762 C CA . CYS I 1 20 ? 18.380 -12.655 26.842 1.00 31.76 ? 20 CYS I CA 1 +ATOM 1763 C C . CYS I 1 20 ? 19.843 -13.198 27.113 1.00 34.54 ? 20 CYS I C 1 +ATOM 1764 O O . CYS I 1 20 ? 20.304 -14.264 26.602 1.00 34.21 ? 20 CYS I O 1 +ATOM 1765 C CB . CYS I 1 20 ? 17.845 -11.845 28.011 1.00 31.47 ? 20 CYS I CB 1 +ATOM 1766 S SG . CYS I 1 20 ? 16.421 -10.816 27.669 1.00 36.76 ? 20 CYS I SG 1 +ATOM 1767 N N . ASN I 1 21 ? 20.597 -12.388 27.858 1.00 32.77 ? 21 ASN I N 1 +ATOM 1768 C CA . ASN I 1 21 ? 21.903 -12.689 28.339 1.00 31.75 ? 21 ASN I CA 1 +ATOM 1769 C C . ASN I 1 21 ? 21.835 -12.199 29.790 1.00 33.44 ? 21 ASN I C 1 +ATOM 1770 O O . ASN I 1 21 ? 20.994 -11.351 30.137 1.00 33.19 ? 21 ASN I O 1 +ATOM 1771 C CB . ASN I 1 21 ? 22.951 -11.913 27.552 1.00 28.97 ? 21 ASN I CB 1 +ATOM 1772 C CG . ASN I 1 21 ? 23.394 -12.493 26.210 1.00 28.27 ? 21 ASN I CG 1 +ATOM 1773 O OD1 . ASN I 1 21 ? 23.784 -11.744 25.321 1.00 26.61 ? 21 ASN I OD1 1 +ATOM 1774 N ND2 . ASN I 1 21 ? 23.435 -13.787 25.919 1.00 26.20 ? 21 ASN I ND2 1 +ATOM 1775 O OXT . ASN I 1 21 ? 22.634 -12.674 30.590 1.00 35.40 ? 21 ASN I OXT 1 +ATOM 1776 N N . PHE J 2 1 ? 4.932 -16.443 0.665 1.00 41.15 ? 1 PHE J N 1 +ATOM 1777 C CA . PHE J 2 1 ? 4.899 -15.134 1.310 1.00 40.52 ? 1 PHE J CA 1 +ATOM 1778 C C . PHE J 2 1 ? 6.116 -15.129 2.228 1.00 41.13 ? 1 PHE J C 1 +ATOM 1779 O O . PHE J 2 1 ? 6.596 -16.197 2.666 1.00 39.88 ? 1 PHE J O 1 +ATOM 1780 C CB . PHE J 2 1 ? 3.597 -14.902 2.160 1.00 38.14 ? 1 PHE J CB 1 +ATOM 1781 C CG . PHE J 2 1 ? 3.224 -13.426 2.347 1.00 35.01 ? 1 PHE J CG 1 +ATOM 1782 C CD1 . PHE J 2 1 ? 2.977 -12.637 1.230 1.00 37.26 ? 1 PHE J CD1 1 +ATOM 1783 C CD2 . PHE J 2 1 ? 3.235 -12.837 3.590 1.00 32.93 ? 1 PHE J CD2 1 +ATOM 1784 C CE1 . PHE J 2 1 ? 2.761 -11.268 1.342 1.00 34.71 ? 1 PHE J CE1 1 +ATOM 1785 C CE2 . PHE J 2 1 ? 3.024 -11.488 3.733 1.00 27.73 ? 1 PHE J CE2 1 +ATOM 1786 C CZ . PHE J 2 1 ? 2.793 -10.712 2.618 1.00 33.09 ? 1 PHE J CZ 1 +ATOM 1787 N N . VAL J 2 2 ? 6.598 -13.927 2.530 1.00 40.37 ? 2 VAL J N 1 +ATOM 1788 C CA . VAL J 2 2 ? 7.697 -13.790 3.475 1.00 38.28 ? 2 VAL J CA 1 +ATOM 1789 C C . VAL J 2 2 ? 7.167 -13.887 4.924 1.00 39.51 ? 2 VAL J C 1 +ATOM 1790 O O . VAL J 2 2 ? 7.749 -13.317 5.851 1.00 43.16 ? 2 VAL J O 1 +ATOM 1791 C CB . VAL J 2 2 ? 8.445 -12.431 3.231 1.00 35.10 ? 2 VAL J CB 1 +ATOM 1792 C CG1 . VAL J 2 2 ? 9.106 -12.574 1.878 1.00 36.90 ? 2 VAL J CG1 1 +ATOM 1793 C CG2 . VAL J 2 2 ? 7.583 -11.205 3.123 1.00 31.21 ? 2 VAL J CG2 1 +ATOM 1794 N N . ASN J 2 3 ? 6.169 -14.741 5.225 1.00 39.25 ? 3 ASN J N 1 +ATOM 1795 C CA . ASN J 2 3 ? 5.492 -14.850 6.524 1.00 37.23 ? 3 ASN J CA 1 +ATOM 1796 C C . ASN J 2 3 ? 6.306 -14.875 7.839 1.00 36.79 ? 3 ASN J C 1 +ATOM 1797 O O . ASN J 2 3 ? 6.090 -14.059 8.723 1.00 36.24 ? 3 ASN J O 1 +ATOM 1798 C CB . ASN J 2 3 ? 4.608 -16.096 6.422 1.00 36.25 ? 3 ASN J CB 1 +ATOM 1799 C CG . ASN J 2 3 ? 3.433 -15.906 7.340 1.00 37.87 ? 3 ASN J CG 1 +ATOM 1800 O OD1 . ASN J 2 3 ? 2.774 -14.870 7.209 1.00 42.22 ? 3 ASN J OD1 1 +ATOM 1801 N ND2 . ASN J 2 3 ? 3.163 -16.818 8.283 1.00 37.12 ? 3 ASN J ND2 1 +ATOM 1802 N N . GLN J 2 4 ? 7.313 -15.737 8.076 1.00 35.58 ? 4 GLN J N 1 +ATOM 1803 C CA . GLN J 2 4 ? 8.071 -15.780 9.339 1.00 34.66 ? 4 GLN J CA 1 +ATOM 1804 C C . GLN J 2 4 ? 9.523 -15.226 9.284 1.00 32.15 ? 4 GLN J C 1 +ATOM 1805 O O . GLN J 2 4 ? 10.419 -15.557 10.059 1.00 32.79 ? 4 GLN J O 1 +ATOM 1806 C CB . GLN J 2 4 ? 8.016 -17.246 9.866 1.00 36.05 ? 4 GLN J CB 1 +ATOM 1807 C CG . GLN J 2 4 ? 6.704 -17.446 10.651 1.00 34.14 ? 4 GLN J CG 1 +ATOM 1808 C CD . GLN J 2 4 ? 6.057 -18.832 10.679 1.00 35.11 ? 4 GLN J CD 1 +ATOM 1809 O OE1 . GLN J 2 4 ? 4.861 -18.975 10.351 1.00 41.20 ? 4 GLN J OE1 1 +ATOM 1810 N NE2 . GLN J 2 4 ? 6.801 -19.866 11.050 1.00 26.78 ? 4 GLN J NE2 1 +ATOM 1811 N N . HIS J 2 5 ? 9.664 -14.255 8.372 1.00 27.28 ? 5 HIS J N 1 +ATOM 1812 C CA . HIS J 2 5 ? 10.784 -13.360 8.210 1.00 19.63 ? 5 HIS J CA 1 +ATOM 1813 C C . HIS J 2 5 ? 10.264 -11.934 8.468 1.00 17.57 ? 5 HIS J C 1 +ATOM 1814 O O . HIS J 2 5 ? 10.955 -10.934 8.521 1.00 20.08 ? 5 HIS J O 1 +ATOM 1815 C CB . HIS J 2 5 ? 11.238 -13.561 6.838 1.00 20.69 ? 5 HIS J CB 1 +ATOM 1816 C CG . HIS J 2 5 ? 12.243 -12.554 6.415 1.00 18.26 ? 5 HIS J CG 1 +ATOM 1817 N ND1 . HIS J 2 5 ? 13.535 -12.576 6.666 1.00 23.22 ? 5 HIS J ND1 1 +ATOM 1818 C CD2 . HIS J 2 5 ? 11.928 -11.419 5.745 1.00 19.24 ? 5 HIS J CD2 1 +ATOM 1819 C CE1 . HIS J 2 5 ? 14.033 -11.471 6.178 1.00 20.11 ? 5 HIS J CE1 1 +ATOM 1820 N NE2 . HIS J 2 5 ? 13.055 -10.799 5.634 1.00 18.11 ? 5 HIS J NE2 1 +ATOM 1821 N N . LEU J 2 6 ? 8.973 -11.781 8.606 1.00 18.40 ? 6 LEU J N 1 +ATOM 1822 C CA . LEU J 2 6 ? 8.291 -10.544 8.876 1.00 17.29 ? 6 LEU J CA 1 +ATOM 1823 C C . LEU J 2 6 ? 7.893 -10.658 10.368 1.00 11.80 ? 6 LEU J C 1 +ATOM 1824 O O . LEU J 2 6 ? 7.687 -9.653 11.031 1.00 9.89 ? 6 LEU J O 1 +ATOM 1825 C CB . LEU J 2 6 ? 7.115 -10.521 7.837 1.00 18.12 ? 6 LEU J CB 1 +ATOM 1826 C CG . LEU J 2 6 ? 6.712 -9.377 6.878 1.00 17.49 ? 6 LEU J CG 1 +ATOM 1827 C CD1 . LEU J 2 6 ? 7.824 -9.080 5.939 1.00 18.68 ? 6 LEU J CD1 1 +ATOM 1828 C CD2 . LEU J 2 6 ? 5.519 -9.778 6.061 1.00 12.38 ? 6 LEU J CD2 1 +ATOM 1829 N N . CYS J 2 7 ? 7.777 -11.833 10.938 1.00 11.08 ? 7 CYS J N 1 +ATOM 1830 C CA . CYS J 2 7 ? 7.604 -12.046 12.344 1.00 10.72 ? 7 CYS J CA 1 +ATOM 1831 C C . CYS J 2 7 ? 8.856 -11.726 13.164 1.00 10.84 ? 7 CYS J C 1 +ATOM 1832 O O . CYS J 2 7 ? 8.837 -10.942 14.093 1.00 11.62 ? 7 CYS J O 1 +ATOM 1833 C CB . CYS J 2 7 ? 7.227 -13.481 12.540 1.00 14.71 ? 7 CYS J CB 1 +ATOM 1834 S SG . CYS J 2 7 ? 7.139 -13.829 14.292 1.00 19.87 ? 7 CYS J SG 1 +ATOM 1835 N N . GLY J 2 8 ? 10.019 -12.243 12.811 1.00 10.65 ? 8 GLY J N 1 +ATOM 1836 C CA . GLY J 2 8 ? 11.274 -12.021 13.446 1.00 12.78 ? 8 GLY J CA 1 +ATOM 1837 C C . GLY J 2 8 ? 11.712 -10.593 13.321 1.00 15.32 ? 8 GLY J C 1 +ATOM 1838 O O . GLY J 2 8 ? 12.688 -10.245 13.986 1.00 22.91 ? 8 GLY J O 1 +ATOM 1839 N N . SER J 2 9 ? 11.173 -9.674 12.520 1.00 13.57 ? 9 SER J N 1 +ATOM 1840 C CA . SER J 2 9 ? 11.622 -8.278 12.610 1.00 12.59 ? 9 SER J CA 1 +ATOM 1841 C C . SER J 2 9 ? 10.936 -7.717 13.819 1.00 12.91 ? 9 SER J C 1 +ATOM 1842 O O . SER J 2 9 ? 11.497 -6.933 14.569 1.00 16.34 ? 9 SER J O 1 +ATOM 1843 C CB . SER J 2 9 ? 11.258 -7.424 11.377 1.00 10.93 ? 9 SER J CB 1 +ATOM 1844 O OG . SER J 2 9 ? 9.997 -7.740 10.809 1.00 15.56 ? 9 SER J OG 1 +ATOM 1845 N N . HIS J 2 10 ? 9.723 -8.175 14.055 1.00 14.55 ? 10 HIS J N 1 +ATOM 1846 C CA . HIS J 2 10 ? 9.005 -7.793 15.249 1.00 16.21 ? 10 HIS J CA 1 +ATOM 1847 C C . HIS J 2 10 ? 9.598 -8.554 16.442 1.00 16.94 ? 10 HIS J C 1 +ATOM 1848 O O . HIS J 2 10 ? 9.801 -7.943 17.489 1.00 17.41 ? 10 HIS J O 1 +ATOM 1849 C CB . HIS J 2 10 ? 7.559 -8.115 15.058 1.00 15.89 ? 10 HIS J CB 1 +ATOM 1850 C CG . HIS J 2 10 ? 6.958 -7.157 14.042 1.00 21.26 ? 10 HIS J CG 1 +ATOM 1851 N ND1 . HIS J 2 10 ? 6.724 -5.841 14.111 1.00 23.19 ? 10 HIS J ND1 1 +ATOM 1852 C CD2 . HIS J 2 10 ? 6.525 -7.539 12.822 1.00 20.29 ? 10 HIS J CD2 1 +ATOM 1853 C CE1 . HIS J 2 10 ? 6.186 -5.408 13.033 1.00 23.89 ? 10 HIS J CE1 1 +ATOM 1854 N NE2 . HIS J 2 10 ? 6.068 -6.447 12.263 1.00 26.07 ? 10 HIS J NE2 1 +ATOM 1855 N N . LEU J 2 11 ? 9.950 -9.843 16.366 1.00 17.17 ? 11 LEU J N 1 +ATOM 1856 C CA . LEU J 2 11 ? 10.637 -10.589 17.415 1.00 17.99 ? 11 LEU J CA 1 +ATOM 1857 C C . LEU J 2 11 ? 11.988 -10.005 17.923 1.00 20.65 ? 11 LEU J C 1 +ATOM 1858 O O . LEU J 2 11 ? 12.261 -9.837 19.109 1.00 21.09 ? 11 LEU J O 1 +ATOM 1859 C CB . LEU J 2 11 ? 10.759 -11.977 16.837 1.00 15.23 ? 11 LEU J CB 1 +ATOM 1860 C CG . LEU J 2 11 ? 10.607 -13.176 17.759 1.00 24.42 ? 11 LEU J CG 1 +ATOM 1861 C CD1 . LEU J 2 11 ? 11.325 -14.298 17.029 1.00 21.14 ? 11 LEU J CD1 1 +ATOM 1862 C CD2 . LEU J 2 11 ? 11.206 -12.975 19.201 1.00 21.89 ? 11 LEU J CD2 1 +ATOM 1863 N N . VAL J 2 12 ? 12.909 -9.642 17.057 1.00 19.56 ? 12 VAL J N 1 +ATOM 1864 C CA . VAL J 2 12 ? 14.171 -8.969 17.372 1.00 21.94 ? 12 VAL J CA 1 +ATOM 1865 C C . VAL J 2 12 ? 13.882 -7.630 18.078 1.00 21.06 ? 12 VAL J C 1 +ATOM 1866 O O . VAL J 2 12 ? 14.431 -7.270 19.118 1.00 21.49 ? 12 VAL J O 1 +ATOM 1867 C CB . VAL J 2 12 ? 14.932 -8.842 15.954 1.00 24.54 ? 12 VAL J CB 1 +ATOM 1868 C CG1 . VAL J 2 12 ? 15.822 -7.616 15.805 1.00 28.22 ? 12 VAL J CG1 1 +ATOM 1869 C CG2 . VAL J 2 12 ? 15.876 -10.009 15.815 1.00 25.84 ? 12 VAL J CG2 1 +ATOM 1870 N N . GLU J 2 13 ? 12.941 -6.885 17.538 1.00 20.55 ? 13 GLU J N 1 +ATOM 1871 C CA . GLU J 2 13 ? 12.585 -5.571 18.015 1.00 23.26 ? 13 GLU J CA 1 +ATOM 1872 C C . GLU J 2 13 ? 12.209 -5.783 19.476 1.00 21.75 ? 13 GLU J C 1 +ATOM 1873 O O . GLU J 2 13 ? 12.635 -5.015 20.319 1.00 23.68 ? 13 GLU J O 1 +ATOM 1874 C CB . GLU J 2 13 ? 11.459 -5.126 17.023 1.00 29.04 ? 13 GLU J CB 1 +ATOM 1875 C CG . GLU J 2 13 ? 10.657 -3.795 16.861 1.00 35.61 ? 13 GLU J CG 1 +ATOM 1876 C CD . GLU J 2 13 ? 9.633 -3.797 15.675 1.00 40.59 ? 13 GLU J CD 1 +ATOM 1877 O OE1 . GLU J 2 13 ? 8.477 -4.225 15.870 1.00 38.85 ? 13 GLU J OE1 1 +ATOM 1878 O OE2 . GLU J 2 13 ? 9.979 -3.373 14.547 1.00 42.14 ? 13 GLU J OE2 1 +ATOM 1879 N N . ALA J 2 14 ? 11.630 -6.923 19.855 1.00 20.59 ? 14 ALA J N 1 +ATOM 1880 C CA . ALA J 2 14 ? 11.159 -7.141 21.217 1.00 18.33 ? 14 ALA J CA 1 +ATOM 1881 C C . ALA J 2 14 ? 12.093 -7.858 22.159 1.00 16.69 ? 14 ALA J C 1 +ATOM 1882 O O . ALA J 2 14 ? 11.970 -7.759 23.389 1.00 19.94 ? 14 ALA J O 1 +ATOM 1883 C CB . ALA J 2 14 ? 9.897 -7.942 21.266 1.00 16.12 ? 14 ALA J CB 1 +ATOM 1884 N N . LEU J 2 15 ? 13.061 -8.585 21.654 1.00 14.50 ? 15 LEU J N 1 +ATOM 1885 C CA . LEU J 2 15 ? 14.041 -9.121 22.531 1.00 11.87 ? 15 LEU J CA 1 +ATOM 1886 C C . LEU J 2 15 ? 14.830 -7.889 22.864 1.00 14.39 ? 15 LEU J C 1 +ATOM 1887 O O . LEU J 2 15 ? 15.252 -7.693 23.990 1.00 17.36 ? 15 LEU J O 1 +ATOM 1888 C CB . LEU J 2 15 ? 14.839 -10.150 21.796 1.00 11.85 ? 15 LEU J CB 1 +ATOM 1889 C CG . LEU J 2 15 ? 14.319 -11.585 21.916 1.00 19.17 ? 15 LEU J CG 1 +ATOM 1890 C CD1 . LEU J 2 15 ? 14.973 -12.451 20.843 1.00 18.04 ? 15 LEU J CD1 1 +ATOM 1891 C CD2 . LEU J 2 15 ? 14.569 -12.109 23.342 1.00 17.74 ? 15 LEU J CD2 1 +ATOM 1892 N N . TYR J 2 16 ? 14.991 -6.907 22.006 1.00 17.31 ? 16 TYR J N 1 +ATOM 1893 C CA . TYR J 2 16 ? 15.850 -5.779 22.366 1.00 16.97 ? 16 TYR J CA 1 +ATOM 1894 C C . TYR J 2 16 ? 15.226 -5.068 23.563 1.00 20.12 ? 16 TYR J C 1 +ATOM 1895 O O . TYR J 2 16 ? 15.868 -4.720 24.556 1.00 26.44 ? 16 TYR J O 1 +ATOM 1896 C CB . TYR J 2 16 ? 16.002 -4.894 21.074 1.00 13.51 ? 16 TYR J CB 1 +ATOM 1897 C CG . TYR J 2 16 ? 16.656 -3.563 21.357 1.00 13.88 ? 16 TYR J CG 1 +ATOM 1898 C CD1 . TYR J 2 16 ? 18.028 -3.486 21.503 1.00 13.28 ? 16 TYR J CD1 1 +ATOM 1899 C CD2 . TYR J 2 16 ? 15.849 -2.465 21.617 1.00 13.95 ? 16 TYR J CD2 1 +ATOM 1900 C CE1 . TYR J 2 16 ? 18.619 -2.316 21.916 1.00 11.46 ? 16 TYR J CE1 1 +ATOM 1901 C CE2 . TYR J 2 16 ? 16.450 -1.300 22.033 1.00 16.02 ? 16 TYR J CE2 1 +ATOM 1902 C CZ . TYR J 2 16 ? 17.819 -1.235 22.197 1.00 12.83 ? 16 TYR J CZ 1 +ATOM 1903 O OH . TYR J 2 16 ? 18.358 -0.055 22.684 1.00 9.88 ? 16 TYR J OH 1 +ATOM 1904 N N . LEU J 2 17 ? 13.919 -5.003 23.516 1.00 22.50 ? 17 LEU J N 1 +ATOM 1905 C CA . LEU J 2 17 ? 13.109 -4.318 24.496 1.00 24.46 ? 17 LEU J CA 1 +ATOM 1906 C C . LEU J 2 17 ? 12.982 -5.035 25.824 1.00 23.23 ? 17 LEU J C 1 +ATOM 1907 O O . LEU J 2 17 ? 12.978 -4.281 26.790 1.00 19.84 ? 17 LEU J O 1 +ATOM 1908 C CB . LEU J 2 17 ? 11.697 -4.050 23.921 1.00 26.24 ? 17 LEU J CB 1 +ATOM 1909 C CG . LEU J 2 17 ? 11.324 -2.745 23.128 1.00 29.93 ? 17 LEU J CG 1 +ATOM 1910 C CD1 . LEU J 2 17 ? 12.202 -2.417 21.886 1.00 25.90 ? 17 LEU J CD1 1 +ATOM 1911 C CD2 . LEU J 2 17 ? 9.857 -2.965 22.740 1.00 26.19 ? 17 LEU J CD2 1 +ATOM 1912 N N . VAL J 2 18 ? 12.885 -6.366 26.001 1.00 23.58 ? 18 VAL J N 1 +ATOM 1913 C CA . VAL J 2 18 ? 12.764 -6.886 27.373 1.00 23.09 ? 18 VAL J CA 1 +ATOM 1914 C C . VAL J 2 18 ? 14.055 -7.371 28.037 1.00 26.39 ? 18 VAL J C 1 +ATOM 1915 O O . VAL J 2 18 ? 14.075 -7.761 29.217 1.00 28.37 ? 18 VAL J O 1 +ATOM 1916 C CB . VAL J 2 18 ? 11.684 -8.028 27.470 1.00 20.10 ? 18 VAL J CB 1 +ATOM 1917 C CG1 . VAL J 2 18 ? 10.364 -7.344 27.157 1.00 14.39 ? 18 VAL J CG1 1 +ATOM 1918 C CG2 . VAL J 2 18 ? 11.967 -9.230 26.625 1.00 15.47 ? 18 VAL J CG2 1 +ATOM 1919 N N . CYS J 2 19 ? 15.115 -7.283 27.237 1.00 27.95 ? 19 CYS J N 1 +ATOM 1920 C CA . CYS J 2 19 ? 16.456 -7.487 27.677 1.00 28.35 ? 19 CYS J CA 1 +ATOM 1921 C C . CYS J 2 19 ? 16.990 -6.095 28.025 1.00 30.90 ? 19 CYS J C 1 +ATOM 1922 O O . CYS J 2 19 ? 17.483 -5.894 29.133 1.00 29.03 ? 19 CYS J O 1 +ATOM 1923 C CB . CYS J 2 19 ? 17.289 -8.053 26.586 1.00 27.92 ? 19 CYS J CB 1 +ATOM 1924 S SG . CYS J 2 19 ? 16.725 -9.675 26.044 1.00 31.70 ? 19 CYS J SG 1 +ATOM 1925 N N . GLY J 2 20 ? 16.959 -5.091 27.133 1.00 34.79 ? 20 GLY J N 1 +ATOM 1926 C CA . GLY J 2 20 ? 17.497 -3.771 27.442 1.00 36.12 ? 20 GLY J CA 1 +ATOM 1927 C C . GLY J 2 20 ? 19.038 -3.769 27.475 1.00 36.90 ? 20 GLY J C 1 +ATOM 1928 O O . GLY J 2 20 ? 19.724 -4.566 26.785 1.00 39.76 ? 20 GLY J O 1 +ATOM 1929 N N . GLU J 2 21 ? 19.554 -2.883 28.342 1.00 33.78 ? 21 GLU J N 1 +ATOM 1930 C CA . GLU J 2 21 ? 20.984 -2.760 28.589 1.00 34.31 ? 21 GLU J CA 1 +ATOM 1931 C C . GLU J 2 21 ? 21.798 -4.091 28.610 1.00 33.85 ? 21 GLU J C 1 +ATOM 1932 O O . GLU J 2 21 ? 22.956 -4.123 28.183 1.00 34.51 ? 21 GLU J O 1 +ATOM 1933 C CB . GLU J 2 21 ? 21.132 -2.050 29.906 1.00 39.77 ? 21 GLU J CB 1 +ATOM 1934 C CG . GLU J 2 21 ? 20.510 -2.879 31.125 1.00 43.58 ? 21 GLU J CG 1 +ATOM 1935 C CD . GLU J 2 21 ? 20.929 -2.522 32.556 1.00 42.75 ? 21 GLU J CD 1 +ATOM 1936 O OE1 . GLU J 2 21 ? 21.762 -1.620 32.727 1.00 42.97 ? 21 GLU J OE1 1 +ATOM 1937 O OE2 . GLU J 2 21 ? 20.427 -3.171 33.491 1.00 43.39 ? 21 GLU J OE2 1 +ATOM 1938 N N . ARG J 2 22 ? 21.256 -5.214 29.115 1.00 29.19 ? 22 ARG J N 1 +ATOM 1939 C CA . ARG J 2 22 ? 22.013 -6.432 29.171 1.00 27.25 ? 22 ARG J CA 1 +ATOM 1940 C C . ARG J 2 22 ? 22.197 -7.043 27.855 1.00 29.52 ? 22 ARG J C 1 +ATOM 1941 O O . ARG J 2 22 ? 23.365 -7.141 27.541 1.00 30.04 ? 22 ARG J O 1 +ATOM 1942 C CB . ARG J 2 22 ? 21.376 -7.428 30.155 1.00 30.55 ? 22 ARG J CB 1 +ATOM 1943 C CG . ARG J 2 22 ? 19.880 -7.650 30.206 1.00 31.11 ? 22 ARG J CG 1 +ATOM 1944 C CD . ARG J 2 22 ? 19.385 -8.122 31.557 1.00 29.96 ? 22 ARG J CD 1 +ATOM 1945 N NE . ARG J 2 22 ? 18.848 -9.488 31.557 1.00 29.12 ? 22 ARG J NE 1 +ATOM 1946 C CZ . ARG J 2 22 ? 17.540 -9.784 31.748 1.00 27.23 ? 22 ARG J CZ 1 +ATOM 1947 N NH1 . ARG J 2 22 ? 16.644 -8.808 31.928 1.00 25.17 ? 22 ARG J NH1 1 +ATOM 1948 N NH2 . ARG J 2 22 ? 17.114 -11.063 31.822 1.00 20.49 ? 22 ARG J NH2 1 +ATOM 1949 N N . GLY J 2 23 ? 21.195 -7.397 27.043 1.00 33.24 ? 23 GLY J N 1 +ATOM 1950 C CA . GLY J 2 23 ? 21.436 -7.895 25.661 1.00 32.14 ? 23 GLY J CA 1 +ATOM 1951 C C . GLY J 2 23 ? 20.956 -9.335 25.406 1.00 32.95 ? 23 GLY J C 1 +ATOM 1952 O O . GLY J 2 23 ? 20.760 -10.055 26.394 1.00 37.59 ? 23 GLY J O 1 +ATOM 1953 N N . PHE J 2 24 ? 20.722 -9.759 24.149 1.00 29.80 ? 24 PHE J N 1 +ATOM 1954 C CA . PHE J 2 24 ? 20.216 -11.084 23.747 1.00 26.18 ? 24 PHE J CA 1 +ATOM 1955 C C . PHE J 2 24 ? 21.041 -11.763 22.640 1.00 23.83 ? 24 PHE J C 1 +ATOM 1956 O O . PHE J 2 24 ? 21.996 -11.202 22.123 1.00 23.18 ? 24 PHE J O 1 +ATOM 1957 C CB . PHE J 2 24 ? 18.727 -10.973 23.254 1.00 24.96 ? 24 PHE J CB 1 +ATOM 1958 C CG . PHE J 2 24 ? 18.534 -9.994 22.088 1.00 19.64 ? 24 PHE J CG 1 +ATOM 1959 C CD1 . PHE J 2 24 ? 18.551 -8.634 22.288 1.00 22.03 ? 24 PHE J CD1 1 +ATOM 1960 C CD2 . PHE J 2 24 ? 18.396 -10.469 20.802 1.00 17.72 ? 24 PHE J CD2 1 +ATOM 1961 C CE1 . PHE J 2 24 ? 18.438 -7.802 21.192 1.00 24.54 ? 24 PHE J CE1 1 +ATOM 1962 C CE2 . PHE J 2 24 ? 18.284 -9.648 19.712 1.00 11.82 ? 24 PHE J CE2 1 +ATOM 1963 C CZ . PHE J 2 24 ? 18.305 -8.301 19.910 1.00 17.78 ? 24 PHE J CZ 1 +ATOM 1964 N N . PHE J 2 25 ? 20.666 -12.939 22.178 1.00 22.46 ? 25 PHE J N 1 +ATOM 1965 C CA . PHE J 2 25 ? 21.357 -13.677 21.145 1.00 27.41 ? 25 PHE J CA 1 +ATOM 1966 C C . PHE J 2 25 ? 20.392 -14.051 19.995 1.00 29.53 ? 25 PHE J C 1 +ATOM 1967 O O . PHE J 2 25 ? 19.478 -14.874 20.211 1.00 28.85 ? 25 PHE J O 1 +ATOM 1968 C CB . PHE J 2 25 ? 21.953 -14.942 21.818 1.00 31.67 ? 25 PHE J CB 1 +ATOM 1969 C CG . PHE J 2 25 ? 21.041 -16.076 22.359 1.00 31.49 ? 25 PHE J CG 1 +ATOM 1970 C CD1 . PHE J 2 25 ? 20.654 -17.130 21.529 1.00 27.20 ? 25 PHE J CD1 1 +ATOM 1971 C CD2 . PHE J 2 25 ? 20.656 -16.099 23.695 1.00 31.13 ? 25 PHE J CD2 1 +ATOM 1972 C CE1 . PHE J 2 25 ? 19.915 -18.180 22.010 1.00 24.26 ? 25 PHE J CE1 1 +ATOM 1973 C CE2 . PHE J 2 25 ? 19.915 -17.172 24.157 1.00 29.87 ? 25 PHE J CE2 1 +ATOM 1974 C CZ . PHE J 2 25 ? 19.547 -18.207 23.326 1.00 22.54 ? 25 PHE J CZ 1 +ATOM 1975 N N . TYR J 2 26 ? 20.429 -13.539 18.758 1.00 26.61 ? 26 TYR J N 1 +ATOM 1976 C CA . TYR J 2 26 ? 19.379 -13.993 17.839 1.00 25.30 ? 26 TYR J CA 1 +ATOM 1977 C C . TYR J 2 26 ? 19.802 -14.919 16.726 1.00 28.24 ? 26 TYR J C 1 +ATOM 1978 O O . TYR J 2 26 ? 20.170 -14.457 15.636 1.00 28.65 ? 26 TYR J O 1 +ATOM 1979 C CB . TYR J 2 26 ? 18.632 -12.766 17.184 1.00 23.04 ? 26 TYR J CB 1 +ATOM 1980 C CG . TYR J 2 26 ? 17.433 -13.201 16.387 1.00 11.36 ? 26 TYR J CG 1 +ATOM 1981 C CD1 . TYR J 2 26 ? 16.482 -13.904 17.031 1.00 11.09 ? 26 TYR J CD1 1 +ATOM 1982 C CD2 . TYR J 2 26 ? 17.353 -12.957 15.057 1.00 15.31 ? 26 TYR J CD2 1 +ATOM 1983 C CE1 . TYR J 2 26 ? 15.404 -14.401 16.381 1.00 15.40 ? 26 TYR J CE1 1 +ATOM 1984 C CE2 . TYR J 2 26 ? 16.256 -13.463 14.375 1.00 18.35 ? 26 TYR J CE2 1 +ATOM 1985 C CZ . TYR J 2 26 ? 15.284 -14.178 15.044 1.00 15.55 ? 26 TYR J CZ 1 +ATOM 1986 O OH . TYR J 2 26 ? 14.124 -14.611 14.415 1.00 19.37 ? 26 TYR J OH 1 +ATOM 1987 N N . THR J 2 27 ? 19.822 -16.229 16.953 1.00 30.49 ? 27 THR J N 1 +ATOM 1988 C CA . THR J 2 27 ? 20.000 -17.091 15.787 1.00 32.18 ? 27 THR J CA 1 +ATOM 1989 C C . THR J 2 27 ? 18.674 -17.820 15.527 1.00 30.64 ? 27 THR J C 1 +ATOM 1990 O O . THR J 2 27 ? 17.866 -18.171 16.424 1.00 27.68 ? 27 THR J O 1 +ATOM 1991 C CB . THR J 2 27 ? 21.202 -18.096 15.984 1.00 32.04 ? 27 THR J CB 1 +ATOM 1992 O OG1 . THR J 2 27 ? 21.545 -18.526 14.665 1.00 37.28 ? 27 THR J OG1 1 +ATOM 1993 C CG2 . THR J 2 27 ? 20.904 -19.343 16.680 1.00 33.77 ? 27 THR J CG2 1 +ATOM 1994 N N . PRO J 2 28 ? 18.386 -17.898 14.229 1.00 30.04 ? 28 PRO J N 1 +ATOM 1995 C CA . PRO J 2 28 ? 17.188 -18.546 13.811 1.00 34.70 ? 28 PRO J CA 1 +ATOM 1996 C C . PRO J 2 28 ? 17.296 -20.015 14.259 1.00 38.30 ? 28 PRO J C 1 +ATOM 1997 O O . PRO J 2 28 ? 16.581 -20.424 15.194 1.00 40.57 ? 28 PRO J O 1 +ATOM 1998 C CB . PRO J 2 28 ? 17.139 -18.330 12.285 1.00 31.99 ? 28 PRO J CB 1 +ATOM 1999 C CG . PRO J 2 28 ? 18.205 -17.405 11.892 1.00 29.53 ? 28 PRO J CG 1 +ATOM 2000 C CD . PRO J 2 28 ? 18.986 -17.106 13.165 1.00 29.06 ? 28 PRO J CD 1 +ATOM 2001 N N . LYS J 2 29 ? 18.321 -20.703 13.702 1.00 40.84 ? 29 LYS J N 1 +ATOM 2002 C CA . LYS J 2 29 ? 18.478 -22.131 13.824 1.00 40.54 ? 29 LYS J CA 1 +ATOM 2003 C C . LYS J 2 29 ? 18.396 -22.644 15.252 1.00 42.67 ? 29 LYS J C 1 +ATOM 2004 O O . LYS J 2 29 ? 17.524 -23.489 15.522 1.00 44.05 ? 29 LYS J O 1 +ATOM 2005 C CB . LYS J 2 29 ? 19.807 -22.523 13.108 1.00 39.36 ? 29 LYS J CB 1 +ATOM 2006 C CG . LYS J 2 29 ? 21.193 -22.262 13.705 1.00 39.85 ? 29 LYS J CG 1 +ATOM 2007 C CD . LYS J 2 29 ? 21.868 -23.657 13.944 1.00 42.44 ? 29 LYS J CD 1 +ATOM 2008 C CE . LYS J 2 29 ? 23.228 -23.634 14.698 1.00 41.92 ? 29 LYS J CE 1 +ATOM 2009 N NZ . LYS J 2 29 ? 23.129 -23.254 16.120 1.00 40.68 ? 29 LYS J NZ 1 +ATOM 2010 N N . ALA J 2 30 ? 19.192 -22.099 16.193 1.00 44.00 ? 30 ALA J N 1 +ATOM 2011 C CA . ALA J 2 30 ? 19.190 -22.578 17.575 1.00 45.47 ? 30 ALA J CA 1 +ATOM 2012 C C . ALA J 2 30 ? 19.500 -21.539 18.713 1.00 47.45 ? 30 ALA J C 1 +ATOM 2013 O O . ALA J 2 30 ? 18.611 -20.740 19.059 1.00 44.81 ? 30 ALA J O 1 +ATOM 2014 C CB . ALA J 2 30 ? 20.178 -23.751 17.597 1.00 44.21 ? 30 ALA J CB 1 +ATOM 2015 O OXT . ALA J 2 30 ? 20.621 -21.513 19.257 1.00 48.92 ? 30 ALA J OXT 1 +ATOM 2016 N N . GLY K 1 1 ? 31.082 -0.938 21.539 1.00 25.88 ? 1 GLY K N 1 +ATOM 2017 C CA . GLY K 1 1 ? 31.300 -1.518 20.228 1.00 26.87 ? 1 GLY K CA 1 +ATOM 2018 C C . GLY K 1 1 ? 30.287 -0.980 19.249 1.00 24.24 ? 1 GLY K C 1 +ATOM 2019 O O . GLY K 1 1 ? 30.222 0.242 19.129 1.00 25.62 ? 1 GLY K O 1 +ATOM 2020 N N . ILE K 1 2 ? 29.387 -1.870 18.799 1.00 23.25 ? 2 ILE K N 1 +ATOM 2021 C CA . ILE K 1 2 ? 28.288 -1.542 17.888 1.00 23.02 ? 2 ILE K CA 1 +ATOM 2022 C C . ILE K 1 2 ? 27.534 -0.248 18.166 1.00 21.75 ? 2 ILE K C 1 +ATOM 2023 O O . ILE K 1 2 ? 27.456 0.588 17.276 1.00 25.32 ? 2 ILE K O 1 +ATOM 2024 C CB . ILE K 1 2 ? 27.344 -2.772 17.858 1.00 24.80 ? 2 ILE K CB 1 +ATOM 2025 C CG1 . ILE K 1 2 ? 26.439 -2.601 16.620 1.00 25.93 ? 2 ILE K CG1 1 +ATOM 2026 C CG2 . ILE K 1 2 ? 26.557 -2.946 19.141 1.00 23.91 ? 2 ILE K CG2 1 +ATOM 2027 C CD1 . ILE K 1 2 ? 25.759 -3.943 16.256 1.00 21.79 ? 2 ILE K CD1 1 +ATOM 2028 N N . VAL K 1 3 ? 27.079 0.020 19.390 1.00 23.80 ? 3 VAL K N 1 +ATOM 2029 C CA . VAL K 1 3 ? 26.427 1.280 19.732 1.00 22.97 ? 3 VAL K CA 1 +ATOM 2030 C C . VAL K 1 3 ? 27.368 2.456 19.688 1.00 25.08 ? 3 VAL K C 1 +ATOM 2031 O O . VAL K 1 3 ? 26.896 3.478 19.262 1.00 26.22 ? 3 VAL K O 1 +ATOM 2032 C CB . VAL K 1 3 ? 25.728 1.175 21.132 1.00 22.79 ? 3 VAL K CB 1 +ATOM 2033 C CG1 . VAL K 1 3 ? 26.709 0.596 22.117 1.00 28.65 ? 3 VAL K CG1 1 +ATOM 2034 C CG2 . VAL K 1 3 ? 25.225 2.561 21.592 1.00 17.40 ? 3 VAL K CG2 1 +ATOM 2035 N N . GLU K 1 4 ? 28.634 2.508 20.044 1.00 32.00 ? 4 GLU K N 1 +ATOM 2036 C CA . GLU K 1 4 ? 29.371 3.745 19.777 1.00 31.90 ? 4 GLU K CA 1 +ATOM 2037 C C . GLU K 1 4 ? 30.214 3.619 18.498 1.00 31.72 ? 4 GLU K C 1 +ATOM 2038 O O . GLU K 1 4 ? 31.138 4.373 18.236 1.00 34.07 ? 4 GLU K O 1 +ATOM 2039 C CB . GLU K 1 4 ? 30.283 4.095 20.960 1.00 36.56 ? 4 GLU K CB 1 +ATOM 2040 C CG . GLU K 1 4 ? 29.882 5.488 21.572 1.00 39.89 ? 4 GLU K CG 1 +ATOM 2041 C CD . GLU K 1 4 ? 31.021 6.359 22.143 1.00 42.01 ? 4 GLU K CD 1 +ATOM 2042 O OE1 . GLU K 1 4 ? 32.113 5.848 22.451 1.00 42.05 ? 4 GLU K OE1 1 +ATOM 2043 O OE2 . GLU K 1 4 ? 30.792 7.567 22.273 1.00 38.22 ? 4 GLU K OE2 1 +ATOM 2044 N N . GLN K 1 5 ? 29.892 2.689 17.614 1.00 30.32 ? 5 GLN K N 1 +ATOM 2045 C CA . GLN K 1 5 ? 30.503 2.679 16.297 1.00 29.09 ? 5 GLN K CA 1 +ATOM 2046 C C . GLN K 1 5 ? 29.330 3.254 15.474 1.00 28.86 ? 5 GLN K C 1 +ATOM 2047 O O . GLN K 1 5 ? 29.227 4.468 15.260 1.00 24.82 ? 5 GLN K O 1 +ATOM 2048 C CB . GLN K 1 5 ? 30.866 1.249 15.912 1.00 31.41 ? 5 GLN K CB 1 +ATOM 2049 C CG . GLN K 1 5 ? 32.329 1.016 15.524 1.00 32.59 ? 5 GLN K CG 1 +ATOM 2050 C CD . GLN K 1 5 ? 32.873 2.041 14.548 1.00 35.63 ? 5 GLN K CD 1 +ATOM 2051 O OE1 . GLN K 1 5 ? 32.563 2.035 13.350 1.00 34.45 ? 5 GLN K OE1 1 +ATOM 2052 N NE2 . GLN K 1 5 ? 33.685 2.979 15.042 1.00 38.56 ? 5 GLN K NE2 1 +ATOM 2053 N N . CYS K 1 6 ? 28.285 2.434 15.347 1.00 28.06 ? 6 CYS K N 1 +ATOM 2054 C CA . CYS K 1 6 ? 27.148 2.691 14.505 1.00 24.81 ? 6 CYS K CA 1 +ATOM 2055 C C . CYS K 1 6 ? 26.179 3.787 14.905 1.00 23.75 ? 6 CYS K C 1 +ATOM 2056 O O . CYS K 1 6 ? 25.305 4.147 14.117 1.00 20.93 ? 6 CYS K O 1 +ATOM 2057 C CB . CYS K 1 6 ? 26.446 1.387 14.378 1.00 22.30 ? 6 CYS K CB 1 +ATOM 2058 S SG . CYS K 1 6 ? 27.663 0.236 13.725 1.00 33.32 ? 6 CYS K SG 1 +ATOM 2059 N N . CYS K 1 7 ? 26.331 4.343 16.114 1.00 25.82 ? 7 CYS K N 1 +ATOM 2060 C CA . CYS K 1 7 ? 25.513 5.472 16.553 1.00 26.91 ? 7 CYS K CA 1 +ATOM 2061 C C . CYS K 1 7 ? 26.234 6.795 16.384 1.00 27.64 ? 7 CYS K C 1 +ATOM 2062 O O . CYS K 1 7 ? 25.665 7.870 16.134 1.00 30.57 ? 7 CYS K O 1 +ATOM 2063 C CB . CYS K 1 7 ? 25.113 5.372 18.039 1.00 27.92 ? 7 CYS K CB 1 +ATOM 2064 S SG . CYS K 1 7 ? 24.194 3.907 18.592 1.00 27.10 ? 7 CYS K SG 1 +ATOM 2065 N N . THR K 1 8 ? 27.558 6.765 16.468 1.00 28.85 ? 8 THR K N 1 +ATOM 2066 C CA . THR K 1 8 ? 28.349 7.991 16.346 1.00 28.39 ? 8 THR K CA 1 +ATOM 2067 C C . THR K 1 8 ? 28.430 8.475 14.893 1.00 29.02 ? 8 THR K C 1 +ATOM 2068 O O . THR K 1 8 ? 28.008 9.615 14.611 1.00 27.42 ? 8 THR K O 1 +ATOM 2069 C CB . THR K 1 8 ? 29.712 7.660 17.068 1.00 26.87 ? 8 THR K CB 1 +ATOM 2070 O OG1 . THR K 1 8 ? 30.110 6.293 16.923 1.00 20.52 ? 8 THR K OG1 1 +ATOM 2071 C CG2 . THR K 1 8 ? 29.482 7.987 18.559 1.00 19.19 ? 8 THR K CG2 1 +ATOM 2072 N N . SER K 1 9 ? 28.910 7.681 13.956 1.00 29.99 ? 9 SER K N 1 +ATOM 2073 C CA . SER K 1 9 ? 28.702 7.951 12.546 1.00 33.98 ? 9 SER K CA 1 +ATOM 2074 C C . SER K 1 9 ? 28.134 6.645 11.983 1.00 32.96 ? 9 SER K C 1 +ATOM 2075 O O . SER K 1 9 ? 28.353 5.576 12.544 1.00 32.60 ? 9 SER K O 1 +ATOM 2076 C CB . SER K 1 9 ? 30.038 8.370 11.878 1.00 36.74 ? 9 SER K CB 1 +ATOM 2077 O OG . SER K 1 9 ? 30.187 9.817 11.755 1.00 35.80 ? 9 SER K OG 1 +ATOM 2078 N N . ILE K 1 10 ? 27.351 6.765 10.916 1.00 33.35 ? 10 ILE K N 1 +ATOM 2079 C CA . ILE K 1 10 ? 26.589 5.675 10.297 1.00 35.61 ? 10 ILE K CA 1 +ATOM 2080 C C . ILE K 1 10 ? 27.463 4.472 9.922 1.00 34.36 ? 10 ILE K C 1 +ATOM 2081 O O . ILE K 1 10 ? 28.609 4.627 9.468 1.00 37.42 ? 10 ILE K O 1 +ATOM 2082 C CB . ILE K 1 10 ? 25.827 6.265 9.008 1.00 40.97 ? 10 ILE K CB 1 +ATOM 2083 C CG1 . ILE K 1 10 ? 24.934 7.438 9.470 1.00 40.13 ? 10 ILE K CG1 1 +ATOM 2084 C CG2 . ILE K 1 10 ? 25.002 5.177 8.253 1.00 37.84 ? 10 ILE K CG2 1 +ATOM 2085 C CD1 . ILE K 1 10 ? 24.953 8.551 8.393 1.00 41.15 ? 10 ILE K CD1 1 +ATOM 2086 N N . CYS K 1 11 ? 26.980 3.251 10.100 1.00 32.43 ? 11 CYS K N 1 +ATOM 2087 C CA . CYS K 1 11 ? 27.734 2.087 9.703 1.00 31.45 ? 11 CYS K CA 1 +ATOM 2088 C C . CYS K 1 11 ? 27.220 1.624 8.368 1.00 32.73 ? 11 CYS K C 1 +ATOM 2089 O O . CYS K 1 11 ? 26.060 1.814 7.965 1.00 34.70 ? 11 CYS K O 1 +ATOM 2090 C CB . CYS K 1 11 ? 27.598 0.927 10.687 1.00 31.29 ? 11 CYS K CB 1 +ATOM 2091 S SG . CYS K 1 11 ? 28.572 1.158 12.190 1.00 28.16 ? 11 CYS K SG 1 +ATOM 2092 N N . SER K 1 12 ? 28.147 1.021 7.662 1.00 30.28 ? 12 SER K N 1 +ATOM 2093 C CA . SER K 1 12 ? 27.774 0.557 6.376 1.00 31.18 ? 12 SER K CA 1 +ATOM 2094 C C . SER K 1 12 ? 27.412 -0.929 6.479 1.00 30.11 ? 12 SER K C 1 +ATOM 2095 O O . SER K 1 12 ? 27.628 -1.567 7.523 1.00 32.64 ? 12 SER K O 1 +ATOM 2096 C CB . SER K 1 12 ? 28.967 0.930 5.528 1.00 36.10 ? 12 SER K CB 1 +ATOM 2097 O OG . SER K 1 12 ? 28.996 2.356 5.489 1.00 42.77 ? 12 SER K OG 1 +ATOM 2098 N N . LEU K 1 13 ? 26.848 -1.528 5.427 1.00 26.20 ? 13 LEU K N 1 +ATOM 2099 C CA . LEU K 1 13 ? 26.431 -2.921 5.423 1.00 24.14 ? 13 LEU K CA 1 +ATOM 2100 C C . LEU K 1 13 ? 27.612 -3.819 5.753 1.00 22.97 ? 13 LEU K C 1 +ATOM 2101 O O . LEU K 1 13 ? 27.441 -4.880 6.333 1.00 26.93 ? 13 LEU K O 1 +ATOM 2102 C CB . LEU K 1 13 ? 25.880 -3.216 4.044 1.00 27.05 ? 13 LEU K CB 1 +ATOM 2103 C CG . LEU K 1 13 ? 24.602 -3.966 3.711 1.00 29.26 ? 13 LEU K CG 1 +ATOM 2104 C CD1 . LEU K 1 13 ? 24.774 -5.427 4.106 1.00 27.83 ? 13 LEU K CD1 1 +ATOM 2105 C CD2 . LEU K 1 13 ? 23.410 -3.253 4.365 1.00 29.89 ? 13 LEU K CD2 1 +ATOM 2106 N N . TYR K 1 14 ? 28.822 -3.447 5.339 1.00 22.15 ? 14 TYR K N 1 +ATOM 2107 C CA . TYR K 1 14 ? 30.002 -4.184 5.661 1.00 21.48 ? 14 TYR K CA 1 +ATOM 2108 C C . TYR K 1 14 ? 30.330 -4.014 7.148 1.00 20.35 ? 14 TYR K C 1 +ATOM 2109 O O . TYR K 1 14 ? 30.579 -4.989 7.833 1.00 18.60 ? 14 TYR K O 1 +ATOM 2110 C CB . TYR K 1 14 ? 31.239 -3.731 4.925 1.00 26.93 ? 14 TYR K CB 1 +ATOM 2111 C CG . TYR K 1 14 ? 31.374 -2.683 3.819 1.00 37.56 ? 14 TYR K CG 1 +ATOM 2112 C CD1 . TYR K 1 14 ? 31.171 -3.034 2.473 1.00 41.41 ? 14 TYR K CD1 1 +ATOM 2113 C CD2 . TYR K 1 14 ? 31.912 -1.431 4.133 1.00 37.17 ? 14 TYR K CD2 1 +ATOM 2114 C CE1 . TYR K 1 14 ? 31.514 -2.131 1.458 1.00 41.64 ? 14 TYR K CE1 1 +ATOM 2115 C CE2 . TYR K 1 14 ? 32.254 -0.541 3.129 1.00 40.51 ? 14 TYR K CE2 1 +ATOM 2116 C CZ . TYR K 1 14 ? 32.068 -0.896 1.793 1.00 43.64 ? 14 TYR K CZ 1 +ATOM 2117 O OH . TYR K 1 14 ? 32.455 -0.024 0.776 1.00 42.66 ? 14 TYR K OH 1 +ATOM 2118 N N . GLN K 1 15 ? 30.400 -2.813 7.699 1.00 18.87 ? 15 GLN K N 1 +ATOM 2119 C CA . GLN K 1 15 ? 30.610 -2.666 9.138 1.00 24.33 ? 15 GLN K CA 1 +ATOM 2120 C C . GLN K 1 15 ? 29.688 -3.577 9.940 1.00 26.47 ? 15 GLN K C 1 +ATOM 2121 O O . GLN K 1 15 ? 30.189 -4.456 10.655 1.00 27.94 ? 15 GLN K O 1 +ATOM 2122 C CB . GLN K 1 15 ? 30.363 -1.223 9.627 1.00 21.62 ? 15 GLN K CB 1 +ATOM 2123 C CG . GLN K 1 15 ? 31.642 -0.453 9.733 1.00 25.34 ? 15 GLN K CG 1 +ATOM 2124 C CD . GLN K 1 15 ? 31.625 0.810 8.920 1.00 28.66 ? 15 GLN K CD 1 +ATOM 2125 O OE1 . GLN K 1 15 ? 32.210 0.834 7.854 1.00 33.98 ? 15 GLN K OE1 1 +ATOM 2126 N NE2 . GLN K 1 15 ? 30.924 1.871 9.266 1.00 29.65 ? 15 GLN K NE2 1 +ATOM 2127 N N . LEU K 1 16 ? 28.355 -3.406 9.692 1.00 26.38 ? 16 LEU K N 1 +ATOM 2128 C CA . LEU K 1 16 ? 27.272 -4.195 10.289 1.00 20.57 ? 16 LEU K CA 1 +ATOM 2129 C C . LEU K 1 16 ? 27.559 -5.673 10.156 1.00 19.21 ? 16 LEU K C 1 +ATOM 2130 O O . LEU K 1 16 ? 27.390 -6.457 11.049 1.00 20.96 ? 16 LEU K O 1 +ATOM 2131 C CB . LEU K 1 16 ? 25.928 -3.893 9.585 1.00 17.14 ? 16 LEU K CB 1 +ATOM 2132 C CG . LEU K 1 16 ? 24.791 -3.063 10.165 1.00 12.70 ? 16 LEU K CG 1 +ATOM 2133 C CD1 . LEU K 1 16 ? 25.265 -1.761 10.738 1.00 9.65 ? 16 LEU K CD1 1 +ATOM 2134 C CD2 . LEU K 1 16 ? 23.838 -2.770 9.044 1.00 14.00 ? 16 LEU K CD2 1 +ATOM 2135 N N . GLU K 1 17 ? 28.109 -6.057 9.046 1.00 21.68 ? 17 GLU K N 1 +ATOM 2136 C CA . GLU K 1 17 ? 28.356 -7.431 8.743 1.00 27.71 ? 17 GLU K CA 1 +ATOM 2137 C C . GLU K 1 17 ? 29.424 -7.936 9.673 1.00 27.83 ? 17 GLU K C 1 +ATOM 2138 O O . GLU K 1 17 ? 29.329 -9.131 9.958 1.00 33.03 ? 17 GLU K O 1 +ATOM 2139 C CB . GLU K 1 17 ? 28.772 -7.581 7.247 1.00 28.92 ? 17 GLU K CB 1 +ATOM 2140 C CG . GLU K 1 17 ? 28.611 -9.027 6.813 1.00 33.27 ? 17 GLU K CG 1 +ATOM 2141 C CD . GLU K 1 17 ? 28.785 -9.378 5.316 1.00 37.33 ? 17 GLU K CD 1 +ATOM 2142 O OE1 . GLU K 1 17 ? 29.764 -8.921 4.674 1.00 32.86 ? 17 GLU K OE1 1 +ATOM 2143 O OE2 . GLU K 1 17 ? 27.930 -10.157 4.827 1.00 38.54 ? 17 GLU K OE2 1 +ATOM 2144 N N . ASN K 1 18 ? 30.393 -7.241 10.278 1.00 27.70 ? 18 ASN K N 1 +ATOM 2145 C CA . ASN K 1 18 ? 31.245 -8.005 11.200 1.00 28.72 ? 18 ASN K CA 1 +ATOM 2146 C C . ASN K 1 18 ? 30.845 -7.872 12.661 1.00 29.80 ? 18 ASN K C 1 +ATOM 2147 O O . ASN K 1 18 ? 31.644 -7.620 13.588 1.00 31.69 ? 18 ASN K O 1 +ATOM 2148 C CB . ASN K 1 18 ? 32.723 -7.629 11.014 1.00 25.97 ? 18 ASN K CB 1 +ATOM 2149 C CG . ASN K 1 18 ? 33.177 -8.098 9.620 1.00 26.30 ? 18 ASN K CG 1 +ATOM 2150 O OD1 . ASN K 1 18 ? 33.148 -7.275 8.702 1.00 25.47 ? 18 ASN K OD1 1 +ATOM 2151 N ND2 . ASN K 1 18 ? 33.584 -9.356 9.333 1.00 17.03 ? 18 ASN K ND2 1 +ATOM 2152 N N . TYR K 1 19 ? 29.523 -8.080 12.753 1.00 28.33 ? 19 TYR K N 1 +ATOM 2153 C CA . TYR K 1 19 ? 28.694 -8.053 13.948 1.00 27.61 ? 19 TYR K CA 1 +ATOM 2154 C C . TYR K 1 19 ? 27.774 -9.261 14.028 1.00 25.74 ? 19 TYR K C 1 +ATOM 2155 O O . TYR K 1 19 ? 27.218 -9.557 15.084 1.00 24.88 ? 19 TYR K O 1 +ATOM 2156 C CB . TYR K 1 19 ? 27.930 -6.728 13.922 1.00 27.41 ? 19 TYR K CB 1 +ATOM 2157 C CG . TYR K 1 19 ? 28.785 -5.491 14.271 1.00 30.49 ? 19 TYR K CG 1 +ATOM 2158 C CD1 . TYR K 1 19 ? 29.632 -5.531 15.380 1.00 34.36 ? 19 TYR K CD1 1 +ATOM 2159 C CD2 . TYR K 1 19 ? 28.692 -4.318 13.558 1.00 31.56 ? 19 TYR K CD2 1 +ATOM 2160 C CE1 . TYR K 1 19 ? 30.374 -4.450 15.806 1.00 31.54 ? 19 TYR K CE1 1 +ATOM 2161 C CE2 . TYR K 1 19 ? 29.424 -3.204 13.977 1.00 36.49 ? 19 TYR K CE2 1 +ATOM 2162 C CZ . TYR K 1 19 ? 30.264 -3.277 15.097 1.00 37.18 ? 19 TYR K CZ 1 +ATOM 2163 O OH . TYR K 1 19 ? 30.984 -2.171 15.551 1.00 41.63 ? 19 TYR K OH 1 +ATOM 2164 N N . CYS K 1 20 ? 27.685 -9.998 12.913 1.00 25.13 ? 20 CYS K N 1 +ATOM 2165 C CA . CYS K 1 20 ? 26.903 -11.224 12.751 1.00 27.45 ? 20 CYS K CA 1 +ATOM 2166 C C . CYS K 1 20 ? 27.709 -12.433 13.211 1.00 29.49 ? 20 CYS K C 1 +ATOM 2167 O O . CYS K 1 20 ? 28.924 -12.299 13.360 1.00 31.59 ? 20 CYS K O 1 +ATOM 2168 C CB . CYS K 1 20 ? 26.523 -11.492 11.281 1.00 25.62 ? 20 CYS K CB 1 +ATOM 2169 S SG . CYS K 1 20 ? 25.665 -10.178 10.372 1.00 26.87 ? 20 CYS K SG 1 +ATOM 2170 N N . ASN K 1 21 ? 27.069 -13.596 13.407 1.00 32.82 ? 21 ASN K N 1 +ATOM 2171 C CA . ASN K 1 21 ? 27.684 -14.855 13.817 1.00 33.18 ? 21 ASN K CA 1 +ATOM 2172 C C . ASN K 1 21 ? 26.845 -16.026 13.310 1.00 34.00 ? 21 ASN K C 1 +ATOM 2173 O O . ASN K 1 21 ? 27.349 -17.147 13.234 1.00 36.84 ? 21 ASN K O 1 +ATOM 2174 C CB . ASN K 1 21 ? 27.807 -14.981 15.359 1.00 32.83 ? 21 ASN K CB 1 +ATOM 2175 C CG . ASN K 1 21 ? 26.599 -14.759 16.260 1.00 30.44 ? 21 ASN K CG 1 +ATOM 2176 O OD1 . ASN K 1 21 ? 25.556 -15.398 16.165 1.00 35.37 ? 21 ASN K OD1 1 +ATOM 2177 N ND2 . ASN K 1 21 ? 26.659 -13.853 17.245 1.00 30.13 ? 21 ASN K ND2 1 +ATOM 2178 O OXT . ASN K 1 21 ? 25.690 -15.814 12.953 1.00 33.65 ? 21 ASN K OXT 1 +ATOM 2179 N N . PHE L 2 1 ? 20.669 8.070 28.399 1.00 29.10 ? 1 PHE L N 1 +ATOM 2180 C CA . PHE L 2 1 ? 19.680 9.031 27.929 1.00 30.02 ? 1 PHE L CA 1 +ATOM 2181 C C . PHE L 2 1 ? 18.837 8.206 26.957 1.00 31.27 ? 1 PHE L C 1 +ATOM 2182 O O . PHE L 2 1 ? 19.093 7.010 26.805 1.00 29.54 ? 1 PHE L O 1 +ATOM 2183 C CB . PHE L 2 1 ? 20.361 10.199 27.171 1.00 32.92 ? 1 PHE L CB 1 +ATOM 2184 C CG . PHE L 2 1 ? 20.023 11.654 27.537 1.00 33.50 ? 1 PHE L CG 1 +ATOM 2185 C CD1 . PHE L 2 1 ? 19.002 12.325 26.900 1.00 32.70 ? 1 PHE L CD1 1 +ATOM 2186 C CD2 . PHE L 2 1 ? 20.758 12.344 28.488 1.00 36.39 ? 1 PHE L CD2 1 +ATOM 2187 C CE1 . PHE L 2 1 ? 18.762 13.637 27.238 1.00 34.09 ? 1 PHE L CE1 1 +ATOM 2188 C CE2 . PHE L 2 1 ? 20.488 13.673 28.806 1.00 33.00 ? 1 PHE L CE2 1 +ATOM 2189 C CZ . PHE L 2 1 ? 19.483 14.333 28.180 1.00 31.57 ? 1 PHE L CZ 1 +ATOM 2190 N N . VAL L 2 2 ? 17.863 8.766 26.214 1.00 32.78 ? 2 VAL L N 1 +ATOM 2191 C CA . VAL L 2 2 ? 17.028 7.930 25.329 1.00 32.23 ? 2 VAL L CA 1 +ATOM 2192 C C . VAL L 2 2 ? 17.578 7.817 23.907 1.00 31.32 ? 2 VAL L C 1 +ATOM 2193 O O . VAL L 2 2 ? 17.467 6.761 23.307 1.00 28.39 ? 2 VAL L O 1 +ATOM 2194 C CB . VAL L 2 2 ? 15.591 8.490 25.329 1.00 33.36 ? 2 VAL L CB 1 +ATOM 2195 C CG1 . VAL L 2 2 ? 15.478 9.822 24.587 1.00 33.19 ? 2 VAL L CG1 1 +ATOM 2196 C CG2 . VAL L 2 2 ? 14.732 7.376 24.791 1.00 32.05 ? 2 VAL L CG2 1 +ATOM 2197 N N . ASN L 2 3 ? 18.302 8.851 23.441 1.00 32.04 ? 3 ASN L N 1 +ATOM 2198 C CA . ASN L 2 3 ? 19.010 8.910 22.150 1.00 29.54 ? 3 ASN L CA 1 +ATOM 2199 C C . ASN L 2 3 ? 19.844 7.633 21.878 1.00 30.12 ? 3 ASN L C 1 +ATOM 2200 O O . ASN L 2 3 ? 20.024 7.224 20.728 1.00 33.03 ? 3 ASN L O 1 +ATOM 2201 C CB . ASN L 2 3 ? 20.031 10.119 22.049 1.00 28.68 ? 3 ASN L CB 1 +ATOM 2202 C CG . ASN L 2 3 ? 19.659 11.534 22.516 1.00 29.13 ? 3 ASN L CG 1 +ATOM 2203 O OD1 . ASN L 2 3 ? 19.824 12.542 21.838 1.00 24.77 ? 3 ASN L OD1 1 +ATOM 2204 N ND2 . ASN L 2 3 ? 19.202 11.732 23.750 1.00 29.35 ? 3 ASN L ND2 1 +ATOM 2205 N N . GLN L 2 4 ? 20.410 6.924 22.868 1.00 31.49 ? 4 GLN L N 1 +ATOM 2206 C CA . GLN L 2 4 ? 21.194 5.698 22.597 1.00 31.08 ? 4 GLN L CA 1 +ATOM 2207 C C . GLN L 2 4 ? 20.226 4.520 22.554 1.00 27.67 ? 4 GLN L C 1 +ATOM 2208 O O . GLN L 2 4 ? 20.351 3.563 21.784 1.00 25.54 ? 4 GLN L O 1 +ATOM 2209 C CB . GLN L 2 4 ? 22.254 5.364 23.689 1.00 33.64 ? 4 GLN L CB 1 +ATOM 2210 C CG . GLN L 2 4 ? 23.189 6.456 24.286 1.00 38.60 ? 4 GLN L CG 1 +ATOM 2211 C CD . GLN L 2 4 ? 22.480 7.378 25.289 1.00 41.63 ? 4 GLN L CD 1 +ATOM 2212 O OE1 . GLN L 2 4 ? 21.642 6.948 26.093 1.00 44.78 ? 4 GLN L OE1 1 +ATOM 2213 N NE2 . GLN L 2 4 ? 22.677 8.689 25.296 1.00 38.49 ? 4 GLN L NE2 1 +ATOM 2214 N N . HIS L 2 5 ? 19.160 4.659 23.339 1.00 25.09 ? 5 HIS L N 1 +ATOM 2215 C CA . HIS L 2 5 ? 18.166 3.629 23.442 1.00 24.39 ? 5 HIS L CA 1 +ATOM 2216 C C . HIS L 2 5 ? 17.494 3.373 22.111 1.00 22.07 ? 5 HIS L C 1 +ATOM 2217 O O . HIS L 2 5 ? 17.332 2.209 21.753 1.00 19.74 ? 5 HIS L O 1 +ATOM 2218 C CB . HIS L 2 5 ? 17.141 4.039 24.519 1.00 27.88 ? 5 HIS L CB 1 +ATOM 2219 C CG . HIS L 2 5 ? 16.133 2.937 24.748 1.00 28.96 ? 5 HIS L CG 1 +ATOM 2220 N ND1 . HIS L 2 5 ? 14.957 2.776 24.151 1.00 31.31 ? 5 HIS L ND1 1 +ATOM 2221 C CD2 . HIS L 2 5 ? 16.360 1.849 25.555 1.00 33.37 ? 5 HIS L CD2 1 +ATOM 2222 C CE1 . HIS L 2 5 ? 14.472 1.625 24.552 1.00 36.01 ? 5 HIS L CE1 1 +ATOM 2223 N NE2 . HIS L 2 5 ? 15.316 1.074 25.401 1.00 35.72 ? 5 HIS L NE2 1 +ATOM 2224 N N . LEU L 2 6 ? 17.095 4.440 21.420 1.00 18.83 ? 6 LEU L N 1 +ATOM 2225 C CA . LEU L 2 6 ? 16.420 4.358 20.152 1.00 16.60 ? 6 LEU L CA 1 +ATOM 2226 C C . LEU L 2 6 ? 17.391 3.984 19.013 1.00 22.38 ? 6 LEU L C 1 +ATOM 2227 O O . LEU L 2 6 ? 16.952 3.290 18.055 1.00 21.79 ? 6 LEU L O 1 +ATOM 2228 C CB . LEU L 2 6 ? 15.750 5.698 19.895 1.00 14.80 ? 6 LEU L CB 1 +ATOM 2229 C CG . LEU L 2 6 ? 14.860 6.325 20.995 1.00 15.28 ? 6 LEU L CG 1 +ATOM 2230 C CD1 . LEU L 2 6 ? 14.452 7.669 20.484 1.00 12.17 ? 6 LEU L CD1 1 +ATOM 2231 C CD2 . LEU L 2 6 ? 13.650 5.509 21.364 1.00 11.72 ? 6 LEU L CD2 1 +ATOM 2232 N N . CYS L 2 7 ? 18.703 4.369 19.109 1.00 22.88 ? 7 CYS L N 1 +ATOM 2233 C CA . CYS L 2 7 ? 19.725 4.046 18.095 1.00 17.93 ? 7 CYS L CA 1 +ATOM 2234 C C . CYS L 2 7 ? 19.752 2.562 17.935 1.00 18.33 ? 7 CYS L C 1 +ATOM 2235 O O . CYS L 2 7 ? 19.591 2.030 16.840 1.00 20.29 ? 7 CYS L O 1 +ATOM 2236 C CB . CYS L 2 7 ? 21.154 4.503 18.499 1.00 20.39 ? 7 CYS L CB 1 +ATOM 2237 S SG . CYS L 2 7 ? 22.502 3.835 17.477 1.00 26.45 ? 7 CYS L SG 1 +ATOM 2238 N N . GLY L 2 8 ? 19.785 1.910 19.085 1.00 16.16 ? 8 GLY L N 1 +ATOM 2239 C CA . GLY L 2 8 ? 19.798 0.456 19.170 1.00 17.56 ? 8 GLY L CA 1 +ATOM 2240 C C . GLY L 2 8 ? 18.544 -0.279 18.662 1.00 15.71 ? 8 GLY L C 1 +ATOM 2241 O O . GLY L 2 8 ? 18.644 -1.461 18.296 1.00 15.40 ? 8 GLY L O 1 +ATOM 2242 N N . SER L 2 9 ? 17.351 0.343 18.596 1.00 18.92 ? 9 SER L N 1 +ATOM 2243 C CA . SER L 2 9 ? 16.213 -0.346 18.019 1.00 19.50 ? 9 SER L CA 1 +ATOM 2244 C C . SER L 2 9 ? 16.383 -0.250 16.514 1.00 21.90 ? 9 SER L C 1 +ATOM 2245 O O . SER L 2 9 ? 16.081 -1.197 15.789 1.00 28.19 ? 9 SER L O 1 +ATOM 2246 C CB . SER L 2 9 ? 14.903 0.266 18.439 1.00 17.02 ? 9 SER L CB 1 +ATOM 2247 O OG . SER L 2 9 ? 14.974 1.688 18.535 1.00 26.76 ? 9 SER L OG 1 +ATOM 2248 N N . HIS L 2 10 ? 16.999 0.813 15.988 1.00 22.28 ? 10 HIS L N 1 +ATOM 2249 C CA . HIS L 2 10 ? 17.311 0.874 14.571 1.00 16.62 ? 10 HIS L CA 1 +ATOM 2250 C C . HIS L 2 10 ? 18.497 0.033 14.176 1.00 18.78 ? 10 HIS L C 1 +ATOM 2251 O O . HIS L 2 10 ? 18.621 -0.429 13.044 1.00 21.05 ? 10 HIS L O 1 +ATOM 2252 C CB . HIS L 2 10 ? 17.532 2.309 14.213 1.00 15.60 ? 10 HIS L CB 1 +ATOM 2253 C CG . HIS L 2 10 ? 16.222 3.080 14.300 1.00 10.75 ? 10 HIS L CG 1 +ATOM 2254 N ND1 . HIS L 2 10 ? 15.276 3.173 13.409 1.00 12.10 ? 10 HIS L ND1 1 +ATOM 2255 C CD2 . HIS L 2 10 ? 15.834 3.847 15.334 1.00 14.97 ? 10 HIS L CD2 1 +ATOM 2256 C CE1 . HIS L 2 10 ? 14.347 3.957 13.843 1.00 13.79 ? 10 HIS L CE1 1 +ATOM 2257 N NE2 . HIS L 2 10 ? 14.695 4.371 15.025 1.00 17.55 ? 10 HIS L NE2 1 +ATOM 2258 N N . LEU L 2 11 ? 19.374 -0.243 15.125 1.00 17.61 ? 11 LEU L N 1 +ATOM 2259 C CA . LEU L 2 11 ? 20.571 -1.043 14.940 1.00 17.03 ? 11 LEU L CA 1 +ATOM 2260 C C . LEU L 2 11 ? 20.329 -2.558 14.896 1.00 20.45 ? 11 LEU L C 1 +ATOM 2261 O O . LEU L 2 11 ? 20.762 -3.340 14.033 1.00 24.54 ? 11 LEU L O 1 +ATOM 2262 C CB . LEU L 2 11 ? 21.488 -0.660 16.082 1.00 17.58 ? 11 LEU L CB 1 +ATOM 2263 C CG . LEU L 2 11 ? 22.970 -0.308 16.038 1.00 18.00 ? 11 LEU L CG 1 +ATOM 2264 C CD1 . LEU L 2 11 ? 23.571 -0.399 17.460 1.00 11.47 ? 11 LEU L CD1 1 +ATOM 2265 C CD2 . LEU L 2 11 ? 23.673 -1.264 15.079 1.00 18.09 ? 11 LEU L CD2 1 +ATOM 2266 N N . VAL L 2 12 ? 19.612 -3.042 15.899 1.00 24.44 ? 12 VAL L N 1 +ATOM 2267 C CA . VAL L 2 12 ? 19.285 -4.479 16.097 1.00 23.97 ? 12 VAL L CA 1 +ATOM 2268 C C . VAL L 2 12 ? 18.463 -5.058 14.927 1.00 22.96 ? 12 VAL L C 1 +ATOM 2269 O O . VAL L 2 12 ? 18.547 -6.199 14.491 1.00 25.31 ? 12 VAL L O 1 +ATOM 2270 C CB . VAL L 2 12 ? 18.613 -4.383 17.507 1.00 25.82 ? 12 VAL L CB 1 +ATOM 2271 C CG1 . VAL L 2 12 ? 17.129 -4.695 17.484 1.00 27.66 ? 12 VAL L CG1 1 +ATOM 2272 C CG2 . VAL L 2 12 ? 19.380 -5.260 18.425 1.00 24.86 ? 12 VAL L CG2 1 +ATOM 2273 N N . GLU L 2 13 ? 17.657 -4.150 14.375 1.00 22.37 ? 13 GLU L N 1 +ATOM 2274 C CA . GLU L 2 13 ? 16.825 -4.320 13.204 1.00 14.37 ? 13 GLU L CA 1 +ATOM 2275 C C . GLU L 2 13 ? 17.669 -4.412 11.984 1.00 12.66 ? 13 GLU L C 1 +ATOM 2276 O O . GLU L 2 13 ? 17.538 -5.345 11.237 1.00 14.46 ? 13 GLU L O 1 +ATOM 2277 C CB . GLU L 2 13 ? 15.874 -3.145 13.001 1.00 14.73 ? 13 GLU L CB 1 +ATOM 2278 C CG . GLU L 2 13 ? 14.738 -3.488 12.126 1.00 14.11 ? 13 GLU L CG 1 +ATOM 2279 C CD . GLU L 2 13 ? 14.315 -4.928 12.357 1.00 24.48 ? 13 GLU L CD 1 +ATOM 2280 O OE1 . GLU L 2 13 ? 13.736 -5.240 13.418 1.00 28.04 ? 13 GLU L OE1 1 +ATOM 2281 O OE2 . GLU L 2 13 ? 14.637 -5.749 11.474 1.00 29.46 ? 13 GLU L OE2 1 +ATOM 2282 N N . ALA L 2 14 ? 18.563 -3.497 11.717 1.00 11.08 ? 14 ALA L N 1 +ATOM 2283 C CA . ALA L 2 14 ? 19.452 -3.632 10.580 1.00 11.22 ? 14 ALA L CA 1 +ATOM 2284 C C . ALA L 2 14 ? 20.253 -4.914 10.568 1.00 10.02 ? 14 ALA L C 1 +ATOM 2285 O O . ALA L 2 14 ? 20.516 -5.499 9.522 1.00 9.58 ? 14 ALA L O 1 +ATOM 2286 C CB . ALA L 2 14 ? 20.393 -2.451 10.597 1.00 13.12 ? 14 ALA L CB 1 +ATOM 2287 N N . LEU L 2 15 ? 20.636 -5.418 11.736 1.00 13.62 ? 15 LEU L N 1 +ATOM 2288 C CA . LEU L 2 15 ? 21.412 -6.621 11.819 1.00 11.46 ? 15 LEU L CA 1 +ATOM 2289 C C . LEU L 2 15 ? 20.524 -7.777 11.574 1.00 12.00 ? 15 LEU L C 1 +ATOM 2290 O O . LEU L 2 15 ? 20.945 -8.800 11.046 1.00 18.06 ? 15 LEU L O 1 +ATOM 2291 C CB . LEU L 2 15 ? 22.009 -6.773 13.155 1.00 11.24 ? 15 LEU L CB 1 +ATOM 2292 C CG . LEU L 2 15 ? 23.133 -5.922 13.689 1.00 10.95 ? 15 LEU L CG 1 +ATOM 2293 C CD1 . LEU L 2 15 ? 23.082 -5.951 15.215 1.00 13.97 ? 15 LEU L CD1 1 +ATOM 2294 C CD2 . LEU L 2 15 ? 24.447 -6.469 13.212 1.00 12.27 ? 15 LEU L CD2 1 +ATOM 2295 N N . TYR L 2 16 ? 19.277 -7.710 11.929 1.00 10.73 ? 16 TYR L N 1 +ATOM 2296 C CA . TYR L 2 16 ? 18.403 -8.778 11.521 1.00 10.15 ? 16 TYR L CA 1 +ATOM 2297 C C . TYR L 2 16 ? 18.411 -8.953 9.983 1.00 10.80 ? 16 TYR L C 1 +ATOM 2298 O O . TYR L 2 16 ? 18.380 -10.029 9.411 1.00 10.17 ? 16 TYR L O 1 +ATOM 2299 C CB . TYR L 2 16 ? 17.061 -8.380 12.124 1.00 9.71 ? 16 TYR L CB 1 +ATOM 2300 C CG . TYR L 2 16 ? 16.020 -9.297 11.615 1.00 12.05 ? 16 TYR L CG 1 +ATOM 2301 C CD1 . TYR L 2 16 ? 15.889 -10.492 12.248 1.00 14.28 ? 16 TYR L CD1 1 +ATOM 2302 C CD2 . TYR L 2 16 ? 15.286 -8.969 10.494 1.00 15.64 ? 16 TYR L CD2 1 +ATOM 2303 C CE1 . TYR L 2 16 ? 15.033 -11.419 11.731 1.00 10.58 ? 16 TYR L CE1 1 +ATOM 2304 C CE2 . TYR L 2 16 ? 14.427 -9.900 9.969 1.00 13.83 ? 16 TYR L CE2 1 +ATOM 2305 C CZ . TYR L 2 16 ? 14.325 -11.117 10.613 1.00 15.87 ? 16 TYR L CZ 1 +ATOM 2306 O OH . TYR L 2 16 ? 13.535 -12.111 10.072 1.00 24.44 ? 16 TYR L OH 1 +ATOM 2307 N N . LEU L 2 17 ? 18.538 -7.846 9.314 1.00 10.92 ? 17 LEU L N 1 +ATOM 2308 C CA . LEU L 2 17 ? 18.495 -7.708 7.878 1.00 17.88 ? 17 LEU L CA 1 +ATOM 2309 C C . LEU L 2 17 ? 19.826 -8.044 7.228 1.00 20.45 ? 17 LEU L C 1 +ATOM 2310 O O . LEU L 2 17 ? 19.769 -8.838 6.308 1.00 18.51 ? 17 LEU L O 1 +ATOM 2311 C CB . LEU L 2 17 ? 18.068 -6.232 7.565 1.00 21.24 ? 17 LEU L CB 1 +ATOM 2312 C CG . LEU L 2 17 ? 17.014 -5.745 6.543 1.00 27.38 ? 17 LEU L CG 1 +ATOM 2313 C CD1 . LEU L 2 17 ? 15.625 -6.391 6.830 1.00 28.43 ? 17 LEU L CD1 1 +ATOM 2314 C CD2 . LEU L 2 17 ? 16.992 -4.211 6.593 1.00 21.74 ? 17 LEU L CD2 1 +ATOM 2315 N N . VAL L 2 18 ? 21.014 -7.478 7.545 1.00 21.68 ? 18 VAL L N 1 +ATOM 2316 C CA . VAL L 2 18 ? 22.205 -8.017 6.922 1.00 22.94 ? 18 VAL L CA 1 +ATOM 2317 C C . VAL L 2 18 ? 22.575 -9.408 7.441 1.00 23.48 ? 18 VAL L C 1 +ATOM 2318 O O . VAL L 2 18 ? 23.162 -10.136 6.638 1.00 25.83 ? 18 VAL L O 1 +ATOM 2319 C CB . VAL L 2 18 ? 23.410 -6.972 7.032 1.00 22.25 ? 18 VAL L CB 1 +ATOM 2320 C CG1 . VAL L 2 18 ? 23.360 -6.107 8.241 1.00 25.32 ? 18 VAL L CG1 1 +ATOM 2321 C CG2 . VAL L 2 18 ? 24.735 -7.743 7.019 1.00 19.31 ? 18 VAL L CG2 1 +ATOM 2322 N N . CYS L 2 19 ? 22.209 -9.946 8.622 1.00 24.82 ? 19 CYS L N 1 +ATOM 2323 C CA . CYS L 2 19 ? 22.691 -11.262 9.019 1.00 23.62 ? 19 CYS L CA 1 +ATOM 2324 C C . CYS L 2 19 ? 21.870 -12.438 8.545 1.00 25.67 ? 19 CYS L C 1 +ATOM 2325 O O . CYS L 2 19 ? 22.361 -13.345 7.878 1.00 28.41 ? 19 CYS L O 1 +ATOM 2326 C CB . CYS L 2 19 ? 22.814 -11.257 10.513 1.00 24.50 ? 19 CYS L CB 1 +ATOM 2327 S SG . CYS L 2 19 ? 23.836 -9.896 11.172 1.00 25.80 ? 19 CYS L SG 1 +ATOM 2328 N N . GLY L 2 20 ? 20.612 -12.535 8.912 1.00 29.08 ? 20 GLY L N 1 +ATOM 2329 C CA . GLY L 2 20 ? 19.675 -13.509 8.354 1.00 33.72 ? 20 GLY L CA 1 +ATOM 2330 C C . GLY L 2 20 ? 19.966 -15.008 8.305 1.00 37.26 ? 20 GLY L C 1 +ATOM 2331 O O . GLY L 2 20 ? 19.566 -15.770 9.194 1.00 37.45 ? 20 GLY L O 1 +ATOM 2332 N N . GLU L 2 21 ? 20.662 -15.525 7.286 1.00 40.27 ? 21 GLU L N 1 +ATOM 2333 C CA . GLU L 2 21 ? 20.790 -16.975 7.140 1.00 42.11 ? 21 GLU L CA 1 +ATOM 2334 C C . GLU L 2 21 ? 21.759 -17.635 8.129 1.00 43.79 ? 21 GLU L C 1 +ATOM 2335 O O . GLU L 2 21 ? 22.131 -18.811 7.977 1.00 44.24 ? 21 GLU L O 1 +ATOM 2336 C CB . GLU L 2 21 ? 21.209 -17.258 5.682 1.00 44.27 ? 21 GLU L CB 1 +ATOM 2337 C CG . GLU L 2 21 ? 20.708 -18.624 5.157 1.00 42.36 ? 21 GLU L CG 1 +ATOM 2338 C CD . GLU L 2 21 ? 19.818 -18.581 3.912 1.00 41.51 ? 21 GLU L CD 1 +ATOM 2339 O OE1 . GLU L 2 21 ? 18.993 -17.668 3.784 1.00 42.71 ? 21 GLU L OE1 1 +ATOM 2340 O OE2 . GLU L 2 21 ? 19.945 -19.493 3.091 1.00 42.71 ? 21 GLU L OE2 1 +ATOM 2341 N N . ARG L 2 22 ? 22.231 -16.802 9.081 1.00 42.34 ? 22 ARG L N 1 +ATOM 2342 C CA . ARG L 2 22 ? 23.191 -16.997 10.196 1.00 37.84 ? 22 ARG L CA 1 +ATOM 2343 C C . ARG L 2 22 ? 22.596 -16.173 11.357 1.00 35.65 ? 22 ARG L C 1 +ATOM 2344 O O . ARG L 2 22 ? 21.582 -15.527 11.076 1.00 42.96 ? 22 ARG L O 1 +ATOM 2345 C CB . ARG L 2 22 ? 24.556 -16.441 9.731 1.00 36.40 ? 22 ARG L CB 1 +ATOM 2346 C CG . ARG L 2 22 ? 24.556 -15.006 9.228 1.00 28.63 ? 22 ARG L CG 1 +ATOM 2347 C CD . ARG L 2 22 ? 25.373 -14.883 8.005 1.00 20.63 ? 22 ARG L CD 1 +ATOM 2348 N NE . ARG L 2 22 ? 26.572 -14.158 8.344 1.00 27.95 ? 22 ARG L NE 1 +ATOM 2349 C CZ . ARG L 2 22 ? 27.093 -13.244 7.493 1.00 33.04 ? 22 ARG L CZ 1 +ATOM 2350 N NH1 . ARG L 2 22 ? 26.551 -12.924 6.310 1.00 35.02 ? 22 ARG L NH1 1 +ATOM 2351 N NH2 . ARG L 2 22 ? 28.273 -12.691 7.737 1.00 33.62 ? 22 ARG L NH2 1 +ATOM 2352 N N . GLY L 2 23 ? 22.957 -16.038 12.621 1.00 32.83 ? 23 GLY L N 1 +ATOM 2353 C CA . GLY L 2 23 ? 22.217 -15.110 13.465 1.00 26.00 ? 23 GLY L CA 1 +ATOM 2354 C C . GLY L 2 23 ? 23.067 -13.952 13.831 1.00 25.26 ? 23 GLY L C 1 +ATOM 2355 O O . GLY L 2 23 ? 23.836 -13.450 13.029 1.00 28.10 ? 23 GLY L O 1 +ATOM 2356 N N . PHE L 2 24 ? 22.868 -13.446 15.033 1.00 26.46 ? 24 PHE L N 1 +ATOM 2357 C CA . PHE L 2 24 ? 23.711 -12.423 15.605 1.00 27.22 ? 24 PHE L CA 1 +ATOM 2358 C C . PHE L 2 24 ? 23.675 -12.356 17.136 1.00 32.15 ? 24 PHE L C 1 +ATOM 2359 O O . PHE L 2 24 ? 22.847 -12.977 17.835 1.00 34.25 ? 24 PHE L O 1 +ATOM 2360 C CB . PHE L 2 24 ? 23.345 -11.065 15.016 1.00 20.97 ? 24 PHE L CB 1 +ATOM 2361 C CG . PHE L 2 24 ? 22.020 -10.395 15.358 1.00 21.07 ? 24 PHE L CG 1 +ATOM 2362 C CD1 . PHE L 2 24 ? 20.895 -10.638 14.580 1.00 15.41 ? 24 PHE L CD1 1 +ATOM 2363 C CD2 . PHE L 2 24 ? 21.987 -9.525 16.440 1.00 14.21 ? 24 PHE L CD2 1 +ATOM 2364 C CE1 . PHE L 2 24 ? 19.759 -9.985 14.922 1.00 14.65 ? 24 PHE L CE1 1 +ATOM 2365 C CE2 . PHE L 2 24 ? 20.828 -8.893 16.752 1.00 11.14 ? 24 PHE L CE2 1 +ATOM 2366 C CZ . PHE L 2 24 ? 19.734 -9.127 15.992 1.00 10.00 ? 24 PHE L CZ 1 +ATOM 2367 N N . PHE L 2 25 ? 24.693 -11.686 17.691 1.00 33.99 ? 25 PHE L N 1 +ATOM 2368 C CA . PHE L 2 25 ? 24.754 -11.427 19.134 1.00 29.77 ? 25 PHE L CA 1 +ATOM 2369 C C . PHE L 2 25 ? 24.290 -10.012 19.285 1.00 24.76 ? 25 PHE L C 1 +ATOM 2370 O O . PHE L 2 25 ? 24.339 -9.236 18.341 1.00 27.41 ? 25 PHE L O 1 +ATOM 2371 C CB . PHE L 2 25 ? 26.215 -11.534 19.722 1.00 34.26 ? 25 PHE L CB 1 +ATOM 2372 C CG . PHE L 2 25 ? 26.267 -12.433 20.958 1.00 34.74 ? 25 PHE L CG 1 +ATOM 2373 C CD1 . PHE L 2 25 ? 26.002 -11.911 22.195 1.00 35.82 ? 25 PHE L CD1 1 +ATOM 2374 C CD2 . PHE L 2 25 ? 26.422 -13.804 20.838 1.00 36.33 ? 25 PHE L CD2 1 +ATOM 2375 C CE1 . PHE L 2 25 ? 25.861 -12.750 23.295 1.00 41.73 ? 25 PHE L CE1 1 +ATOM 2376 C CE2 . PHE L 2 25 ? 26.278 -14.620 21.960 1.00 39.24 ? 25 PHE L CE2 1 +ATOM 2377 C CZ . PHE L 2 25 ? 25.986 -14.115 23.202 1.00 38.25 ? 25 PHE L CZ 1 +ATOM 2378 N N . TYR L 2 26 ? 23.753 -9.638 20.411 1.00 25.31 ? 26 TYR L N 1 +ATOM 2379 C CA . TYR L 2 26 ? 23.580 -8.223 20.675 1.00 27.65 ? 26 TYR L CA 1 +ATOM 2380 C C . TYR L 2 26 ? 23.586 -8.064 22.196 1.00 29.78 ? 26 TYR L C 1 +ATOM 2381 O O . TYR L 2 26 ? 22.640 -8.413 22.874 1.00 32.25 ? 26 TYR L O 1 +ATOM 2382 C CB . TYR L 2 26 ? 22.268 -7.686 20.057 1.00 25.10 ? 26 TYR L CB 1 +ATOM 2383 C CG . TYR L 2 26 ? 22.239 -6.182 20.164 1.00 19.50 ? 26 TYR L CG 1 +ATOM 2384 C CD1 . TYR L 2 26 ? 22.829 -5.408 19.196 1.00 17.62 ? 26 TYR L CD1 1 +ATOM 2385 C CD2 . TYR L 2 26 ? 21.667 -5.612 21.281 1.00 24.20 ? 26 TYR L CD2 1 +ATOM 2386 C CE1 . TYR L 2 26 ? 22.850 -4.049 19.345 1.00 19.03 ? 26 TYR L CE1 1 +ATOM 2387 C CE2 . TYR L 2 26 ? 21.685 -4.246 21.443 1.00 22.51 ? 26 TYR L CE2 1 +ATOM 2388 C CZ . TYR L 2 26 ? 22.286 -3.471 20.477 1.00 21.49 ? 26 TYR L CZ 1 +ATOM 2389 O OH . TYR L 2 26 ? 22.351 -2.099 20.692 1.00 22.23 ? 26 TYR L OH 1 +ATOM 2390 N N . THR L 2 27 ? 24.686 -7.494 22.697 1.00 32.40 ? 27 THR L N 1 +ATOM 2391 C CA . THR L 2 27 ? 25.037 -7.194 24.089 1.00 30.34 ? 27 THR L CA 1 +ATOM 2392 C C . THR L 2 27 ? 25.688 -5.811 23.928 1.00 29.90 ? 27 THR L C 1 +ATOM 2393 O O . THR L 2 27 ? 26.689 -5.701 23.192 1.00 31.90 ? 27 THR L O 1 +ATOM 2394 C CB . THR L 2 27 ? 26.125 -8.196 24.702 1.00 29.87 ? 27 THR L CB 1 +ATOM 2395 O OG1 . THR L 2 27 ? 26.977 -8.566 23.620 1.00 33.41 ? 27 THR L OG1 1 +ATOM 2396 C CG2 . THR L 2 27 ? 25.580 -9.471 25.315 1.00 22.97 ? 27 THR L CG2 1 +ATOM 2397 N N . PRO L 2 28 ? 25.121 -4.744 24.497 1.00 30.25 ? 28 PRO L N 1 +ATOM 2398 C CA . PRO L 2 28 ? 25.801 -3.479 24.747 1.00 30.97 ? 28 PRO L CA 1 +ATOM 2399 C C . PRO L 2 28 ? 26.831 -3.546 25.869 1.00 32.10 ? 28 PRO L C 1 +ATOM 2400 O O . PRO L 2 28 ? 27.854 -2.859 25.813 1.00 34.52 ? 28 PRO L O 1 +ATOM 2401 C CB . PRO L 2 28 ? 24.688 -2.486 25.057 1.00 32.88 ? 28 PRO L CB 1 +ATOM 2402 C CG . PRO L 2 28 ? 23.403 -3.202 24.626 1.00 28.98 ? 28 PRO L CG 1 +ATOM 2403 C CD . PRO L 2 28 ? 23.708 -4.662 24.867 1.00 29.74 ? 28 PRO L CD 1 +ATOM 2404 N N . LYS L 2 29 ? 26.621 -4.327 26.934 1.00 33.87 ? 29 LYS L N 1 +ATOM 2405 C CA . LYS L 2 29 ? 27.600 -4.385 28.022 1.00 35.33 ? 29 LYS L CA 1 +ATOM 2406 C C . LYS L 2 29 ? 28.704 -5.295 27.522 1.00 36.29 ? 29 LYS L C 1 +ATOM 2407 O O . LYS L 2 29 ? 28.659 -6.515 27.714 1.00 36.29 ? 29 LYS L O 1 +ATOM 2408 C CB . LYS L 2 29 ? 26.951 -4.961 29.336 1.00 36.85 ? 29 LYS L CB 1 +ATOM 2409 C CG . LYS L 2 29 ? 25.622 -4.352 29.825 1.00 29.68 ? 29 LYS L CG 1 +ATOM 2410 C CD . LYS L 2 29 ? 25.690 -2.864 29.708 1.00 26.54 ? 29 LYS L CD 1 +ATOM 2411 C CE . LYS L 2 29 ? 24.512 -2.315 30.429 1.00 30.70 ? 29 LYS L CE 1 +ATOM 2412 N NZ . LYS L 2 29 ? 24.560 -0.865 30.423 1.00 30.94 ? 29 LYS L NZ 1 +ATOM 2413 N N . ALA L 2 30 ? 29.578 -4.563 26.825 1.00 37.03 ? 30 ALA L N 1 +ATOM 2414 C CA . ALA L 2 30 ? 30.709 -5.042 26.040 1.00 36.81 ? 30 ALA L CA 1 +ATOM 2415 C C . ALA L 2 30 ? 31.902 -5.797 26.694 1.00 38.63 ? 30 ALA L C 1 +ATOM 2416 O O . ALA L 2 30 ? 32.010 -7.033 26.509 1.00 38.55 ? 30 ALA L O 1 +ATOM 2417 C CB . ALA L 2 30 ? 31.168 -3.782 25.271 1.00 36.96 ? 30 ALA L CB 1 +ATOM 2418 O OXT . ALA L 2 30 ? 32.734 -5.146 27.362 1.00 36.76 ? 30 ALA L OXT 1 +HETATM 2419 C C1 . IPH M 3 . ? -3.837 -0.773 8.470 1.00 19.22 ? 22 IPH A C1 1 +HETATM 2420 C C2 . IPH M 3 . ? -2.766 -1.483 8.965 1.00 15.96 ? 22 IPH A C2 1 +HETATM 2421 C C3 . IPH M 3 . ? -1.669 -0.803 9.423 1.00 14.89 ? 22 IPH A C3 1 +HETATM 2422 C C4 . IPH M 3 . ? -1.656 0.570 9.380 1.00 18.36 ? 22 IPH A C4 1 +HETATM 2423 C C5 . IPH M 3 . ? -2.718 1.299 8.890 1.00 17.73 ? 22 IPH A C5 1 +HETATM 2424 C C6 . IPH M 3 . ? -3.828 0.617 8.429 1.00 18.03 ? 22 IPH A C6 1 +HETATM 2425 O O1 . IPH M 3 . ? -4.923 -1.481 7.970 1.00 23.33 ? 22 IPH A O1 1 +HETATM 2426 ZN ZN . ZN N 4 . ? 4.898 -6.843 10.075 1.00 27.20 ? 31 ZN B ZN 1 +HETATM 2427 C C1 . IPH O 3 . ? 11.613 4.852 26.399 1.00 20.83 ? 22 IPH C C1 1 +HETATM 2428 C C2 . IPH O 3 . ? 11.633 5.140 25.053 1.00 20.62 ? 22 IPH C C2 1 +HETATM 2429 C C3 . IPH O 3 . ? 11.288 4.188 24.109 1.00 18.01 ? 22 IPH C C3 1 +HETATM 2430 C C4 . IPH O 3 . ? 10.922 2.929 24.507 1.00 20.54 ? 22 IPH C C4 1 +HETATM 2431 C C5 . IPH O 3 . ? 10.898 2.627 25.851 1.00 25.33 ? 22 IPH C C5 1 +HETATM 2432 C C6 . IPH O 3 . ? 11.240 3.590 26.797 1.00 24.15 ? 22 IPH C C6 1 +HETATM 2433 O O1 . IPH O 3 . ? 12.016 5.803 27.323 1.00 12.68 ? 22 IPH C O1 1 +HETATM 2434 ZN ZN . ZN P 4 . ? 13.221 6.551 16.276 1.00 29.19 ? 31 ZN D ZN 1 +HETATM 2435 C C1 . IPH Q 3 . ? 11.998 -8.459 2.249 1.00 27.39 ? 31 IPH F C1 1 +HETATM 2436 C C2 . IPH Q 3 . ? 12.993 -7.709 2.852 1.00 27.93 ? 31 IPH F C2 1 +HETATM 2437 C C3 . IPH Q 3 . ? 12.672 -6.860 3.893 1.00 23.62 ? 31 IPH F C3 1 +HETATM 2438 C C4 . IPH Q 3 . ? 11.354 -6.776 4.286 1.00 27.82 ? 31 IPH F C4 1 +HETATM 2439 C C5 . IPH Q 3 . ? 10.347 -7.509 3.682 1.00 24.85 ? 31 IPH F C5 1 +HETATM 2440 C C6 . IPH Q 3 . ? 10.671 -8.360 2.659 1.00 28.86 ? 31 IPH F C6 1 +HETATM 2441 O O1 . IPH Q 3 . ? 12.386 -9.363 1.273 1.00 27.14 ? 31 IPH F O1 1 +HETATM 2442 C C1 . IPH R 3 . ? 8.969 14.261 10.214 1.00 34.55 ? 22 IPH G C1 1 +HETATM 2443 C C2 . IPH R 3 . ? 7.588 14.167 9.983 1.00 36.10 ? 22 IPH G C2 1 +HETATM 2444 C C3 . IPH R 3 . ? 6.968 12.934 10.033 1.00 39.79 ? 22 IPH G C3 1 +HETATM 2445 C C4 . IPH R 3 . ? 7.759 11.823 10.318 1.00 40.87 ? 22 IPH G C4 1 +HETATM 2446 C C5 . IPH R 3 . ? 9.132 11.926 10.550 1.00 36.41 ? 22 IPH G C5 1 +HETATM 2447 C C6 . IPH R 3 . ? 9.747 13.156 10.489 1.00 33.00 ? 22 IPH G C6 1 +HETATM 2448 O O1 . IPH R 3 . ? 9.600 15.498 10.183 1.00 28.11 ? 22 IPH G O1 1 +HETATM 2449 C C1 . IPH S 3 . ? 22.940 2.741 11.366 1.00 40.16 ? 31 IPH H C1 1 +HETATM 2450 C C2 . IPH S 3 . ? 21.936 2.774 12.346 1.00 39.33 ? 31 IPH H C2 1 +HETATM 2451 C C3 . IPH S 3 . ? 20.885 1.876 12.287 1.00 35.55 ? 31 IPH H C3 1 +HETATM 2452 C C4 . IPH S 3 . ? 20.858 0.925 11.303 1.00 34.51 ? 31 IPH H C4 1 +HETATM 2453 C C5 . IPH S 3 . ? 21.859 0.874 10.355 1.00 36.34 ? 31 IPH H C5 1 +HETATM 2454 C C6 . IPH S 3 . ? 22.919 1.764 10.386 1.00 36.01 ? 31 IPH H C6 1 +HETATM 2455 O O1 . IPH S 3 . ? 23.944 3.709 11.315 1.00 38.53 ? 31 IPH H O1 1 +HETATM 2456 C C1 . IPH T 3 . ? 6.433 -11.368 20.191 1.00 27.73 ? 31 IPH J C1 1 +HETATM 2457 C C2 . IPH T 3 . ? 5.607 -10.338 19.860 1.00 36.11 ? 31 IPH J C2 1 +HETATM 2458 C C3 . IPH T 3 . ? 6.080 -9.152 19.345 1.00 34.44 ? 31 IPH J C3 1 +HETATM 2459 C C4 . IPH T 3 . ? 7.424 -9.043 19.186 1.00 35.30 ? 31 IPH J C4 1 +HETATM 2460 C C5 . IPH T 3 . ? 8.252 -10.087 19.531 1.00 34.12 ? 31 IPH J C5 1 +HETATM 2461 C C6 . IPH T 3 . ? 7.761 -11.259 20.036 1.00 31.91 ? 31 IPH J C6 1 +HETATM 2462 O O1 . IPH T 3 . ? 5.897 -12.541 20.639 1.00 35.16 ? 31 IPH J O1 1 +HETATM 2463 O O . HOH U 5 . ? -14.893 -10.956 18.905 1.00 36.74 ? 23 HOH A O 1 +HETATM 2464 O O . HOH U 5 . ? -4.148 3.622 2.174 1.00 23.74 ? 24 HOH A O 1 +HETATM 2465 O O . HOH U 5 . ? -12.724 9.454 2.567 1.00 30.44 ? 25 HOH A O 1 +HETATM 2466 O O . HOH U 5 . ? -11.595 15.132 10.513 1.00 63.34 ? 26 HOH A O 1 +HETATM 2467 O O . HOH U 5 . ? -12.015 -10.264 18.496 1.00 34.71 ? 27 HOH A O 1 +HETATM 2468 O O . HOH U 5 . ? -14.652 -8.046 17.157 1.00 25.31 ? 28 HOH A O 1 +HETATM 2469 O O . HOH U 5 . ? -9.936 8.264 1.892 1.00 27.17 ? 29 HOH A O 1 +HETATM 2470 O O . HOH U 5 . ? -10.427 0.123 -1.343 1.00 49.84 ? 30 HOH A O 1 +HETATM 2471 O O . HOH U 5 . ? -11.634 -2.314 -2.402 1.00 34.61 ? 31 HOH A O 1 +HETATM 2472 O O . HOH U 5 . ? -13.826 7.271 0.119 1.00 27.32 ? 32 HOH A O 1 +HETATM 2473 O O . HOH U 5 . ? -11.606 -5.056 -2.131 1.00 30.26 ? 33 HOH A O 1 +HETATM 2474 O O . HOH U 5 . ? -13.463 -0.813 9.482 1.00 43.83 ? 34 HOH A O 1 +HETATM 2475 O O . HOH V 5 . ? -1.808 -10.933 6.735 1.00 29.01 ? 32 HOH B O 1 +HETATM 2476 O O . HOH V 5 . ? -3.950 -13.847 7.551 1.00 23.61 ? 33 HOH B O 1 +HETATM 2477 O O . HOH V 5 . ? -7.828 -15.160 13.757 1.00 43.09 ? 34 HOH B O 1 +HETATM 2478 O O . HOH V 5 . ? -11.683 -13.129 10.668 1.00 38.95 ? 35 HOH B O 1 +HETATM 2479 O O . HOH V 5 . ? -12.196 -16.575 12.842 1.00 32.94 ? 36 HOH B O 1 +HETATM 2480 O O . HOH V 5 . ? -9.410 1.811 25.199 1.00 16.50 ? 37 HOH B O 1 +HETATM 2481 O O . HOH V 5 . ? 2.817 -10.294 7.362 1.00 50.08 ? 38 HOH B O 1 +HETATM 2482 O O . HOH V 5 . ? -1.721 -16.955 8.753 1.00 46.51 ? 39 HOH B O 1 +HETATM 2483 O O . HOH W 5 . ? 12.822 7.965 36.109 1.00 49.88 ? 23 HOH C O 1 +HETATM 2484 O O . HOH W 5 . ? 14.625 10.493 35.328 1.00 30.77 ? 24 HOH C O 1 +HETATM 2485 O O . HOH W 5 . ? -2.542 5.395 36.120 1.00 46.63 ? 25 HOH C O 1 +HETATM 2486 O O . HOH W 5 . ? -6.554 -4.074 33.811 1.00 33.19 ? 26 HOH C O 1 +HETATM 2487 O O . HOH W 5 . ? -9.227 1.758 32.004 1.00 42.60 ? 27 HOH C O 1 +HETATM 2488 O O . HOH W 5 . ? 1.969 7.351 35.451 1.00 36.96 ? 28 HOH C O 1 +HETATM 2489 O O . HOH W 5 . ? 16.509 7.570 35.490 1.00 29.65 ? 29 HOH C O 1 +HETATM 2490 O O . HOH W 5 . ? 13.554 19.293 30.743 1.00 44.50 ? 30 HOH C O 1 +HETATM 2491 O O . HOH W 5 . ? 0.912 -1.529 37.334 1.00 38.05 ? 31 HOH C O 1 +HETATM 2492 O O . HOH X 5 . ? -9.284 -1.236 28.464 1.00 28.52 ? 32 HOH D O 1 +HETATM 2493 O O . HOH X 5 . ? 0.505 11.948 32.969 1.00 30.31 ? 33 HOH D O 1 +HETATM 2494 O O . HOH X 5 . ? 1.029 11.785 36.552 1.00 51.08 ? 34 HOH D O 1 +HETATM 2495 O O . HOH X 5 . ? -1.829 -4.675 37.214 1.00 23.57 ? 35 HOH D O 1 +HETATM 2496 O O . HOH X 5 . ? 10.982 20.323 20.993 1.00 39.65 ? 36 HOH D O 1 +HETATM 2497 O O . HOH X 5 . ? -1.815 17.759 23.560 1.00 35.01 ? 37 HOH D O 1 +HETATM 2498 O O . HOH X 5 . ? 0.113 14.567 36.269 1.00 42.36 ? 38 HOH D O 1 +HETATM 2499 O O . HOH X 5 . ? -0.310 17.549 13.308 1.00 35.81 ? 39 HOH D O 1 +HETATM 2500 O O . HOH X 5 . ? 3.497 16.433 15.700 1.00 21.37 ? 40 HOH D O 1 +HETATM 2501 O O . HOH X 5 . ? 2.675 12.054 14.796 1.00 44.03 ? 41 HOH D O 1 +HETATM 2502 O O . HOH Y 5 . ? 24.190 -11.804 -8.789 1.00 40.53 ? 31 HOH E O 1 +HETATM 2503 O O . HOH Y 5 . ? 23.210 -6.631 -12.633 1.00 47.56 ? 32 HOH E O 1 +HETATM 2504 O O . HOH Y 5 . ? 24.623 -5.137 -0.205 1.00 39.64 ? 33 HOH E O 1 +HETATM 2505 O O . HOH Y 5 . ? 23.088 -3.069 -1.207 1.00 28.56 ? 34 HOH E O 1 +HETATM 2506 O O . HOH Y 5 . ? 23.207 7.528 -7.722 1.00 34.61 ? 35 HOH E O 1 +HETATM 2507 O O . HOH Y 5 . ? 19.936 -1.795 -10.911 1.00 29.83 ? 81 HOH E O 1 +HETATM 2508 O O . HOH Y 5 . ? 32.035 -1.484 -6.925 1.00 28.29 ? 85 HOH E O 1 +HETATM 2509 O O . HOH Y 5 . ? 28.239 0.121 -7.378 1.00 57.56 ? 99 HOH E O 1 +HETATM 2510 O O . HOH Y 5 . ? 27.925 -3.739 -6.580 1.00 33.88 ? 100 HOH E O 1 +HETATM 2511 O O . HOH Z 5 . ? 22.832 1.303 -11.163 1.00 40.89 ? 36 HOH F O 1 +HETATM 2512 O O . HOH Z 5 . ? 0.262 -13.398 2.163 1.00 19.68 ? 37 HOH F O 1 +HETATM 2513 O O . HOH Z 5 . ? 21.688 9.597 1.972 1.00 48.84 ? 40 HOH F O 1 +HETATM 2514 O O . HOH Z 5 . ? 29.580 9.270 -0.353 1.00 50.84 ? 41 HOH F O 1 +HETATM 2515 O O . HOH Z 5 . ? 26.034 6.349 1.694 1.00 30.64 ? 42 HOH F O 1 +HETATM 2516 O O . HOH Z 5 . ? 29.757 3.441 -3.847 1.00 46.07 ? 43 HOH F O 1 +HETATM 2517 O O . HOH Z 5 . ? -7.350 -0.534 -4.082 1.00 65.41 ? 73 HOH F O 1 +HETATM 2518 O O . HOH Z 5 . ? 25.515 13.018 4.110 1.00 32.99 ? 83 HOH F O 1 +HETATM 2519 O O . HOH Z 5 . ? 8.479 -2.271 9.337 1.00 34.43 ? 96 HOH F O 1 +HETATM 2520 O O . HOH Z 5 . ? 23.775 9.615 4.509 1.00 46.70 ? 98 HOH F O 1 +HETATM 2521 O O . HOH Z 5 . ? 28.368 3.331 -8.709 1.00 46.49 ? 101 HOH F O 1 +HETATM 2522 O O . HOH Z 5 . ? -10.686 -2.139 -5.234 1.00 34.08 ? 105 HOH F O 1 +HETATM 2523 O O . HOH Z 5 . ? 0.408 1.790 1.701 1.00 30.41 ? 116 HOH F O 1 +HETATM 2524 O O . HOH Z 5 . ? -2.718 -6.456 -12.939 1.00 49.92 ? 117 HOH F O 1 +HETATM 2525 O O . HOH Z 5 . ? 4.200 -7.922 9.165 1.00 17.41 ? 118 HOH F O 1 +HETATM 2526 O O . HOH AA 5 . ? 21.065 22.248 1.395 1.00 26.77 ? 44 HOH G O 1 +HETATM 2527 O O . HOH AA 5 . ? 13.695 22.494 -0.626 1.00 42.46 ? 45 HOH G O 1 +HETATM 2528 O O . HOH AA 5 . ? 19.332 20.215 9.027 1.00 58.29 ? 46 HOH G O 1 +HETATM 2529 O O . HOH AA 5 . ? 4.035 20.909 13.306 1.00 35.84 ? 47 HOH G O 1 +HETATM 2530 O O . HOH AA 5 . ? 8.519 18.627 -4.760 1.00 21.82 ? 48 HOH G O 1 +HETATM 2531 O O . HOH AA 5 . ? 8.810 16.753 -7.119 1.00 51.00 ? 86 HOH G O 1 +HETATM 2532 O O . HOH BA 5 . ? 10.883 2.573 13.689 1.00 42.55 ? 38 HOH H O 1 +HETATM 2533 O O . HOH BA 5 . ? -0.779 7.244 -9.265 1.00 43.19 ? 49 HOH H O 1 +HETATM 2534 O O . HOH BA 5 . ? 25.429 11.476 17.878 1.00 28.40 ? 50 HOH H O 1 +HETATM 2535 O O . HOH BA 5 . ? 22.531 17.974 13.185 1.00 32.59 ? 51 HOH H O 1 +HETATM 2536 O O . HOH BA 5 . ? 18.136 2.641 10.463 1.00 25.75 ? 52 HOH H O 1 +HETATM 2537 O O . HOH BA 5 . ? 25.241 16.649 -0.205 1.00 39.22 ? 53 HOH H O 1 +HETATM 2538 O O . HOH BA 5 . ? 22.876 16.937 -3.635 1.00 17.48 ? 54 HOH H O 1 +HETATM 2539 O O . HOH BA 5 . ? -7.631 7.236 -0.316 1.00 41.54 ? 68 HOH H O 1 +HETATM 2540 O O . HOH BA 5 . ? -5.811 5.724 -4.409 1.00 34.51 ? 70 HOH H O 1 +HETATM 2541 O O . HOH BA 5 . ? -8.797 9.619 -4.068 1.00 50.32 ? 71 HOH H O 1 +HETATM 2542 O O . HOH BA 5 . ? 21.350 12.691 4.320 1.00 32.77 ? 82 HOH H O 1 +HETATM 2543 O O . HOH BA 5 . ? -7.416 4.618 -9.934 1.00 32.93 ? 87 HOH H O 1 +HETATM 2544 O O . HOH BA 5 . ? -5.410 3.071 -11.293 1.00 34.80 ? 88 HOH H O 1 +HETATM 2545 O O . HOH CA 5 . ? 8.593 -8.943 31.411 1.00 17.07 ? 22 HOH I O 1 +HETATM 2546 O O . HOH CA 5 . ? 16.181 -24.188 22.047 1.00 32.87 ? 55 HOH I O 1 +HETATM 2547 O O . HOH CA 5 . ? 14.067 -15.826 35.218 1.00 42.93 ? 56 HOH I O 1 +HETATM 2548 O O . HOH CA 5 . ? 7.719 -11.328 35.545 1.00 38.01 ? 57 HOH I O 1 +HETATM 2549 O O . HOH CA 5 . ? 11.878 -20.396 31.827 1.00 22.31 ? 58 HOH I O 1 +HETATM 2550 O O . HOH CA 5 . ? 23.931 -17.029 29.426 1.00 34.87 ? 59 HOH I O 1 +HETATM 2551 O O . HOH CA 5 . ? 12.519 -27.084 9.924 1.00 32.94 ? 90 HOH I O 1 +HETATM 2552 O O . HOH CA 5 . ? 13.999 -28.500 12.472 1.00 42.43 ? 109 HOH I O 1 +HETATM 2553 O O . HOH DA 5 . ? 17.988 1.340 31.190 1.00 36.28 ? 32 HOH J O 1 +HETATM 2554 O O . HOH DA 5 . ? 4.837 -19.785 2.566 1.00 31.90 ? 33 HOH J O 1 +HETATM 2555 O O . HOH DA 5 . ? 11.294 -0.790 12.034 1.00 39.34 ? 34 HOH J O 1 +HETATM 2556 O O . HOH DA 5 . ? 6.699 -2.376 14.054 1.00 32.39 ? 35 HOH J O 1 +HETATM 2557 O O . HOH DA 5 . ? 13.250 -19.998 7.543 1.00 49.89 ? 36 HOH J O 1 +HETATM 2558 O O . HOH DA 5 . ? 16.956 -0.824 32.649 1.00 38.94 ? 37 HOH J O 1 +HETATM 2559 O O . HOH DA 5 . ? 8.365 -2.787 11.867 1.00 48.98 ? 38 HOH J O 1 +HETATM 2560 O O . HOH DA 5 . ? 16.024 -2.112 25.618 1.00 27.98 ? 39 HOH J O 1 +HETATM 2561 O O . HOH DA 5 . ? 22.985 -26.214 16.637 1.00 36.92 ? 40 HOH J O 1 +HETATM 2562 O O . HOH DA 5 . ? 12.161 -25.296 7.720 1.00 26.68 ? 41 HOH J O 1 +HETATM 2563 O O . HOH EA 5 . ? 31.911 3.257 4.716 1.00 28.60 ? 61 HOH K O 1 +HETATM 2564 O O . HOH EA 5 . ? 34.180 -7.205 3.374 1.00 43.76 ? 62 HOH K O 1 +HETATM 2565 O O . HOH EA 5 . ? 33.399 -14.127 6.823 1.00 36.87 ? 63 HOH K O 1 +HETATM 2566 O O . HOH EA 5 . ? 31.649 -12.458 10.597 1.00 17.86 ? 64 HOH K O 1 +HETATM 2567 O O . HOH EA 5 . ? 31.516 2.809 1.089 1.00 33.36 ? 84 HOH K O 1 +HETATM 2568 O O . HOH EA 5 . ? 35.298 -11.266 8.330 1.00 54.27 ? 104 HOH K O 1 +HETATM 2569 O O . HOH FA 5 . ? 15.743 -18.500 1.515 1.00 28.94 ? 65 HOH L O 1 +HETATM 2570 O O . HOH FA 5 . ? 24.497 -20.246 8.776 1.00 33.49 ? 66 HOH L O 1 +HETATM 2571 O O . HOH FA 5 . ? 23.787 2.623 30.352 1.00 38.50 ? 67 HOH L O 1 +HETATM 2572 O O . HOH FA 5 . ? 26.392 3.620 33.957 1.00 40.35 ? 91 HOH L O 1 +HETATM 2573 O O . HOH FA 5 . ? 16.462 9.674 17.126 1.00 36.22 ? 92 HOH L O 1 +HETATM 2574 O O . HOH FA 5 . ? 14.343 7.557 16.200 1.00 36.07 ? 119 HOH L O 1 +# diff --git a/tests/auto/generate_tests.py b/tests/auto/generate_tests.py index a5906878..1c8a889c 100755 --- a/tests/auto/generate_tests.py +++ b/tests/auto/generate_tests.py @@ -144,11 +144,14 @@ def declareFiles(self,d): #these are the files with examples in them for filename in glob.glob(examples_path+'/*.js'): with open(filename,'r', encoding="utf-8") as text: - files.append(File(filename,"generated",text.read())) + contents = text.read() + files.append(File(filename,"generated",contents)) #these are the built in tests for filename in glob.glob(manual_tests_path+'/*.js'): - with open(filename,"r", encoding="utf-8") as file: - files.append(File(filename,"builtin",file.read())) + with open(filename,"r", encoding="utf-8") as text: + contents = text.read() + if '/* skip */' not in contents: + files.append(File(filename,"builtin",contents)) #print("Found %d files"%len(files)) diff --git a/tests/auto/test.js b/tests/auto/test.js index 8f17557d..65847da3 100644 --- a/tests/auto/test.js +++ b/tests/auto/test.js @@ -204,6 +204,7 @@ $(document).ready(function(){ waitfor(function() { return viewer.surfacesFinished() && !viewer.isAnimated() } , true , 1000 , 0 , "" , function(){ var after=Date.now(); //gets the canvas + viewer.render(); var canvas=viewer.getCanvas(); //$("canvas#"+key).get(0); //creates an image for the canvas var canvasImageData = imageFromWebGlCanvas(canvas); diff --git a/tests/auto/tests/test89.js b/tests/auto/tests/test89.js index 058bb31d..52a178b1 100644 --- a/tests/auto/tests/test89.js +++ b/tests/auto/tests/test89.js @@ -31,7 +31,7 @@ $scope.renderModel = function (model) { var modelPath=model.name; var format=model.format; $.get(modelPath,function(data){ - var model = $scope.MAIN_VIEWER.addModel(data, format); + var model = $scope.MAIN_VIEWER.addModel(data, format,{assignBonds: false}); $scope.MAIN_VIEWER.addUnitCell(model); model.setStyle({}, {sphere:{scale: 0.2}, stick:{radius:0.1}}); $scope.MAIN_VIEWER.zoomTo(); diff --git a/tests/auto/tests/testbcifbfactor.js b/tests/auto/tests/testbcifbfactor.js new file mode 100644 index 00000000..5ab8e475 --- /dev/null +++ b/tests/auto/tests/testbcifbfactor.js @@ -0,0 +1,5 @@ +$3Dmol.download("bcif:1wav",viewer, {}, function(){ + + viewer.setStyle({stick:{colorscheme:{prop:'b',gradient: new $3Dmol.Gradient.ROYGB($3Dmol.getPropertyRange(viewer.selectedAtoms(),'b'))}}}); + viewer.render(); +}); diff --git a/tests/auto/tests/testbcifbonds.js b/tests/auto/tests/testbcifbonds.js new file mode 100644 index 00000000..229fedc7 --- /dev/null +++ b/tests/auto/tests/testbcifbonds.js @@ -0,0 +1,8 @@ +$3Dmol.download("bcif:1jy4",viewer,{multimodel:true},function(){ + + viewer.setStyle('stick'); + viewer.zoomTo(); + viewer.setFrame(3); + viewer.render(); + +}); diff --git a/tests/auto/tests/testcifbfactor.js b/tests/auto/tests/testcifbfactor.js new file mode 100644 index 00000000..442d3e21 --- /dev/null +++ b/tests/auto/tests/testcifbfactor.js @@ -0,0 +1,6 @@ +$3Dmol.get("data/1wav.cif",function(data){ + viewer.addModel(data,'cif'); + + viewer.setStyle({stick:{colorscheme:{prop:'b',gradient: new $3Dmol.Gradient.ROYGB($3Dmol.getPropertyRange(viewer.selectedAtoms(),'b'))}}}); + viewer.render(); +}); diff --git a/tests/auto/tests/testcontextmenu.js b/tests/auto/tests/testcontextmenu.js index cfe7d26a..97ed47f9 100644 --- a/tests/auto/tests/testcontextmenu.js +++ b/tests/auto/tests/testcontextmenu.js @@ -27,41 +27,8 @@ * into resultCanvas, which is the one found by glcheck. */ - /* @div -
- -
- -
- - -
- -
-
- -
- - -
-
-
- - -
-
-*/ - +/* skip */ //does not fit into evaluation framework, but apparently works for glcheck? + /* @script $3Dmol.tstctx_testView1 = function(viewer) { if (typeof(PointerEvent) === 'undefined') { @@ -275,3 +242,38 @@ $3Dmol.tstctx_openMenu = function(viewer, selected, x, y) { } */ + +/* @div +
+ +
+ +
+ + +
+ +
+
+ +
+ + +
+
+
+ + +
+
+*/ diff --git a/tests/auto/tests/testgridlabel.js b/tests/auto/tests/testgridlabel.js index 0a3a93ed..70015d91 100644 --- a/tests/auto/tests/testgridlabel.js +++ b/tests/auto/tests/testgridlabel.js @@ -83,6 +83,8 @@ view0.zoomTo(); view1.zoomTo(); view0.render( ); view1.render( ); +viewers[1][0].render( ); +viewers[0][1].render( ); let xy = view0.modelToScreen(view0.models[0].atoms[1]); diff --git a/tests/glcheck/reference-images/tests-glcheck-render-tests-GLModel_ts_addAtoms.html.png b/tests/glcheck/reference-images/tests-glcheck-render-tests-GLModel_ts_addAtoms.html.png index 2a5cfdfd..aa4812d6 100644 Binary files a/tests/glcheck/reference-images/tests-glcheck-render-tests-GLModel_ts_addAtoms.html.png and b/tests/glcheck/reference-images/tests-glcheck-render-tests-GLModel_ts_addAtoms.html.png differ diff --git a/tests/glcheck/reference-images/tests-glcheck-render-tests-GLModel_ts_selectedAtoms.html.png 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