# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_1af29b20faad9f62 # _entry.id 1af29b20faad9f62 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLU 2 1 n LYS 3 1 n SER 4 1 n VAL 5 1 n PHE 6 1 n ASP 7 1 n ARG 8 1 n LEU 9 1 n LEU 10 1 n THR 11 1 n GLU 12 1 n TYR 13 1 n LYS 14 1 n GLU 15 1 n LEU 16 1 n GLU 17 1 n THR 18 1 n LYS 19 1 n THR 20 1 n THR 21 1 n LYS 22 1 n LEU 23 1 n ARG 24 1 n ASP 25 1 n PHE 26 1 n LEU 27 1 n ILE 28 1 n ASN 29 1 n LYS 30 1 n ILE 31 1 n ASP 32 1 n LYS 33 1 n THR 34 1 n SER 35 1 n ILE 36 1 n ASP 37 1 n ASN 38 1 n LEU 39 1 n ASN 40 1 n LYS 41 1 n ASP 42 1 n LEU 43 1 n LEU 44 1 n ILE 45 1 n ALA 46 1 n GLN 47 1 n LEU 48 1 n LYS 49 1 n ALA 50 1 n MET 51 1 n GLU 52 1 n ALA 53 1 n TYR 54 1 n LEU 55 1 n THR 56 1 n ILE 57 1 n LEU 58 1 n SER 59 1 n ILE 60 1 n ARG 61 1 n ILE 62 1 n GLY 63 1 n LEU 64 1 n ASN 65 1 n GLN 66 1 n PRO 67 1 n THR 68 1 n GLN 69 1 n GLU 70 1 n GLU 71 1 n LYS 72 1 n GLN 73 1 n LEU 74 1 n ASP 75 1 n GLU 76 1 n ALA 77 1 n LYS 78 1 n ALA 79 1 n LEU 80 1 n ALA 81 1 n LYS 82 1 n SER 83 1 n THR 84 1 n ILE 85 1 n ASN 86 1 n GLU 87 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (8a86c86b-cd0c-4cd5-baf1-242c30a5bfc7 @ 2025-07-28 00:23:47)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 87.32 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND AT alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ASP . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ASN . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n MET . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n LEU . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n SER . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n ARG . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n GLN . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n GLN . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n LYS . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n THR . 84 A 84 A 85 1 n ILE . 85 A 85 A 86 1 n ASN . 86 A 86 A 87 1 n GLU . 87 A 87 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (8a86c86b-cd0c-4cd5-baf1-242c30a5bfc7 @ 2025-07-28 00:23:47)" # _struct_asym.entity_id 1 _struct_asym.id A # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 12.596 -9.823 -9.142 1.00 80.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.800 -8.638 -9.535 1.00 84.71 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.713 -7.425 -9.483 1.00 85.24 1 A 1 ATOM 4 O O . MET A 1 1 ? 13.509 -7.328 -8.557 1.00 83.27 1 A 1 ATOM 5 C CB . MET A 1 1 ? 10.589 -8.475 -8.591 1.00 81.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? 9.774 -7.188 -8.855 1.00 81.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.311 -6.990 -7.789 1.00 80.85 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.143 -8.101 -8.590 1.00 74.74 1 A 1 ATOM 9 N N . GLU A 1 2 ? 12.594 -6.495 -10.448 1.00 84.36 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 13.348 -5.242 -10.415 1.00 86.73 2 A 1 ATOM 11 C C . GLU A 1 2 ? 13.053 -4.453 -9.135 1.00 88.05 2 A 1 ATOM 12 O O . GLU A 1 2 ? 11.891 -4.309 -8.749 1.00 87.64 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 12.986 -4.371 -11.622 1.00 85.11 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 13.525 -4.914 -12.951 1.00 75.65 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 15.055 -5.025 -12.934 1.00 71.22 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 15.552 -6.029 -13.482 1.00 64.49 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 15.680 -4.125 -12.324 1.00 65.04 2 A 1 ATOM 18 N N . LYS A 1 3 ? 14.087 -3.887 -8.497 1.00 87.54 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 13.966 -3.139 -7.235 1.00 88.23 3 A 1 ATOM 20 C C . LYS A 1 3 ? 12.953 -1.998 -7.336 1.00 89.48 3 A 1 ATOM 21 O O . LYS A 1 3 ? 12.103 -1.839 -6.467 1.00 89.39 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 15.361 -2.643 -6.817 1.00 86.76 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 15.315 -1.918 -5.461 1.00 82.41 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 16.729 -1.504 -5.024 1.00 79.42 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 16.630 -0.774 -3.683 1.00 72.85 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 17.969 -0.409 -3.163 1.00 64.88 3 A 1 ATOM 27 N N . SER A 1 4 ? 12.958 -1.262 -8.441 1.00 89.33 4 A 1 ATOM 28 C CA . SER A 1 4 ? 12.011 -0.171 -8.693 1.00 90.36 4 A 1 ATOM 29 C C . SER A 1 4 ? 10.546 -0.624 -8.738 1.00 91.26 4 A 1 ATOM 30 O O . SER A 1 4 ? 9.649 0.094 -8.288 1.00 90.27 4 A 1 ATOM 31 C CB . SER A 1 4 ? 12.376 0.509 -10.021 1.00 90.18 4 A 1 ATOM 32 O OG . SER A 1 4 ? 12.299 -0.415 -11.092 1.00 80.83 4 A 1 ATOM 33 N N . VAL A 1 5 ? 10.283 -1.830 -9.246 1.00 88.88 5 A 1 ATOM 34 C CA . VAL A 1 5 ? 8.933 -2.416 -9.267 1.00 89.27 5 A 1 ATOM 35 C C . VAL A 1 5 ? 8.516 -2.839 -7.865 1.00 90.82 5 A 1 ATOM 36 O O . VAL A 1 5 ? 7.369 -2.604 -7.485 1.00 90.75 5 A 1 ATOM 37 C CB . VAL A 1 5 ? 8.850 -3.607 -10.247 1.00 87.58 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? 7.454 -4.240 -10.266 1.00 84.70 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? 9.173 -3.166 -11.680 1.00 84.87 5 A 1 ATOM 40 N N . PHE A 1 6 ? 9.432 -3.413 -7.081 1.00 90.84 6 A 1 ATOM 41 C CA . PHE A 1 6 ? 9.189 -3.785 -5.696 1.00 91.53 6 A 1 ATOM 42 C C . PHE A 1 6 ? 8.883 -2.567 -4.815 1.00 92.88 6 A 1 ATOM 43 O O . PHE A 1 6 ? 7.865 -2.544 -4.121 1.00 93.46 6 A 1 ATOM 44 C CB . PHE A 1 6 ? 10.392 -4.577 -5.178 1.00 90.77 6 A 1 ATOM 45 C CG . PHE A 1 6 ? 10.198 -5.079 -3.761 1.00 90.73 6 A 1 ATOM 46 C CD1 . PHE A 1 6 ? 10.821 -4.426 -2.689 1.00 88.89 6 A 1 ATOM 47 C CD2 . PHE A 1 6 ? 9.370 -6.188 -3.534 1.00 89.50 6 A 1 ATOM 48 C CE1 . PHE A 1 6 ? 10.622 -4.888 -1.378 1.00 88.88 6 A 1 ATOM 49 C CE2 . PHE A 1 6 ? 9.168 -6.652 -2.223 1.00 88.79 6 A 1 ATOM 50 C CZ . PHE A 1 6 ? 9.795 -6.005 -1.141 1.00 89.31 6 A 1 ATOM 51 N N . ASP A 1 7 ? 9.686 -1.512 -4.914 1.00 92.55 7 A 1 ATOM 52 C CA . ASP A 1 7 ? 9.495 -0.258 -4.176 1.00 92.84 7 A 1 ATOM 53 C C . ASP A 1 7 ? 8.151 0.399 -4.526 1.00 94.03 7 A 1 ATOM 54 O O . ASP A 1 7 ? 7.436 0.890 -3.646 1.00 94.30 7 A 1 ATOM 55 C CB . ASP A 1 7 ? 10.662 0.697 -4.469 1.00 91.66 7 A 1 ATOM 56 C CG . ASP A 1 7 ? 12.014 0.240 -3.898 1.00 89.10 7 A 1 ATOM 57 O OD1 . ASP A 1 7 ? 12.017 -0.567 -2.940 1.00 86.54 7 A 1 ATOM 58 O OD2 . ASP A 1 7 ? 13.056 0.728 -4.404 1.00 85.70 7 A 1 ATOM 59 N N . ARG A 1 8 ? 7.751 0.339 -5.798 1.00 92.66 8 A 1 ATOM 60 C CA . ARG A 1 8 ? 6.431 0.805 -6.237 1.00 93.16 8 A 1 ATOM 61 C C . ARG A 1 8 ? 5.296 0.005 -5.592 1.00 94.32 8 A 1 ATOM 62 O O . ARG A 1 8 ? 4.323 0.611 -5.147 1.00 94.39 8 A 1 ATOM 63 C CB . ARG A 1 8 ? 6.348 0.773 -7.774 1.00 92.00 8 A 1 ATOM 64 C CG . ARG A 1 8 ? 5.030 1.389 -8.281 1.00 80.69 8 A 1 ATOM 65 C CD . ARG A 1 8 ? 4.966 1.405 -9.809 1.00 77.94 8 A 1 ATOM 66 N NE . ARG A 1 8 ? 4.863 0.037 -10.369 1.00 67.10 8 A 1 ATOM 67 C CZ . ARG A 1 8 ? 4.963 -0.285 -11.644 1.00 59.96 8 A 1 ATOM 68 N NH1 . ARG A 1 8 ? 5.198 0.606 -12.570 1.00 54.55 8 A 1 ATOM 69 N NH2 . ARG A 1 8 ? 4.821 -1.524 -12.016 1.00 49.69 8 A 1 ATOM 70 N N . LEU A 1 9 ? 5.406 -1.325 -5.509 1.00 93.82 9 A 1 ATOM 71 C CA . LEU A 1 9 ? 4.395 -2.163 -4.842 1.00 93.76 9 A 1 ATOM 72 C C . LEU A 1 9 ? 4.255 -1.820 -3.356 1.00 95.03 9 A 1 ATOM 73 O O . LEU A 1 9 ? 3.142 -1.752 -2.850 1.00 95.16 9 A 1 ATOM 74 C CB . LEU A 1 9 ? 4.746 -3.653 -4.988 1.00 92.43 9 A 1 ATOM 75 C CG . LEU A 1 9 ? 4.584 -4.243 -6.399 1.00 87.23 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? 5.096 -5.682 -6.391 1.00 84.32 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? 3.129 -4.253 -6.850 1.00 83.28 9 A 1 ATOM 78 N N . LEU A 1 10 ? 5.365 -1.578 -2.660 1.00 94.55 10 A 1 ATOM 79 C CA . LEU A 1 10 ? 5.356 -1.162 -1.257 1.00 94.83 10 A 1 ATOM 80 C C . LEU A 1 10 ? 4.665 0.190 -1.060 1.00 95.73 10 A 1 ATOM 81 O O . LEU A 1 10 ? 3.891 0.356 -0.120 1.00 96.03 10 A 1 ATOM 82 C CB . LEU A 1 10 ? 6.797 -1.079 -0.728 1.00 93.63 10 A 1 ATOM 83 C CG . LEU A 1 10 ? 7.487 -2.423 -0.480 1.00 87.24 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? 8.949 -2.168 -0.101 1.00 85.11 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? 6.835 -3.176 0.689 1.00 85.19 10 A 1 ATOM 86 N N . THR A 1 11 ? 4.952 1.150 -1.940 1.00 96.25 11 A 1 ATOM 87 C CA . THR A 1 11 ? 4.320 2.473 -1.902 1.00 96.75 11 A 1 ATOM 88 C C . THR A 1 11 ? 2.819 2.362 -2.153 1.00 97.20 11 A 1 ATOM 89 O O . THR A 1 11 ? 2.025 2.857 -1.356 1.00 97.33 11 A 1 ATOM 90 C CB . THR A 1 11 ? 4.981 3.415 -2.914 1.00 96.48 11 A 1 ATOM 91 O OG1 . THR A 1 11 ? 6.349 3.521 -2.616 1.00 93.57 11 A 1 ATOM 92 C CG2 . THR A 1 11 ? 4.395 4.828 -2.862 1.00 92.83 11 A 1 ATOM 93 N N . GLU A 1 12 ? 2.428 1.642 -3.199 1.00 96.95 12 A 1 ATOM 94 C CA . GLU A 1 12 ? 1.025 1.428 -3.563 1.00 97.07 12 A 1 ATOM 95 C C . GLU A 1 12 ? 0.239 0.741 -2.438 1.00 97.50 12 A 1 ATOM 96 O O . GLU A 1 12 ? -0.858 1.171 -2.098 1.00 97.45 12 A 1 ATOM 97 C CB . GLU A 1 12 ? 0.986 0.627 -4.862 1.00 96.18 12 A 1 ATOM 98 C CG . GLU A 1 12 ? -0.440 0.458 -5.407 1.00 91.04 12 A 1 ATOM 99 C CD . GLU A 1 12 ? -0.470 -0.166 -6.803 1.00 88.35 12 A 1 ATOM 100 O OE1 . GLU A 1 12 ? -1.583 -0.189 -7.396 1.00 80.62 12 A 1 ATOM 101 O OE2 . GLU A 1 12 ? 0.583 -0.641 -7.305 1.00 80.79 12 A 1 ATOM 102 N N . TYR A 1 13 ? 0.832 -0.284 -1.793 1.00 96.24 13 A 1 ATOM 103 C CA . TYR A 1 13 ? 0.232 -0.960 -0.645 1.00 96.39 13 A 1 ATOM 104 C C . TYR A 1 13 ? -0.046 0.016 0.502 1.00 96.71 13 A 1 ATOM 105 O O . TYR A 1 13 ? -1.182 0.091 0.979 1.00 97.09 13 A 1 ATOM 106 C CB . TYR A 1 13 ? 1.140 -2.110 -0.193 1.00 96.02 13 A 1 ATOM 107 C CG . TYR A 1 13 ? 0.596 -2.862 1.010 1.00 95.74 13 A 1 ATOM 108 C CD1 . TYR A 1 13 ? 0.873 -2.409 2.315 1.00 94.11 13 A 1 ATOM 109 C CD2 . TYR A 1 13 ? -0.231 -3.985 0.824 1.00 94.31 13 A 1 ATOM 110 C CE1 . TYR A 1 13 ? 0.306 -3.062 3.426 1.00 93.62 13 A 1 ATOM 111 C CE2 . TYR A 1 13 ? -0.803 -4.639 1.931 1.00 93.68 13 A 1 ATOM 112 C CZ . TYR A 1 13 ? -0.535 -4.170 3.236 1.00 93.77 13 A 1 ATOM 113 O OH . TYR A 1 13 ? -1.117 -4.785 4.313 1.00 92.14 13 A 1 ATOM 114 N N . LYS A 1 14 ? 0.947 0.816 0.921 1.00 96.87 14 A 1 ATOM 115 C CA . LYS A 1 14 ? 0.812 1.772 2.039 1.00 96.67 14 A 1 ATOM 116 C C . LYS A 1 14 ? -0.235 2.852 1.763 1.00 97.47 14 A 1 ATOM 117 O O . LYS A 1 14 ? -1.014 3.226 2.643 1.00 97.68 14 A 1 ATOM 118 C CB . LYS A 1 14 ? 2.168 2.436 2.311 1.00 96.02 14 A 1 ATOM 119 C CG . LYS A 1 14 ? 3.179 1.477 2.962 1.00 90.14 14 A 1 ATOM 120 C CD . LYS A 1 14 ? 4.541 2.164 3.079 1.00 84.64 14 A 1 ATOM 121 C CE . LYS A 1 14 ? 5.555 1.215 3.715 1.00 76.78 14 A 1 ATOM 122 N NZ . LYS A 1 14 ? 6.898 1.840 3.821 1.00 68.09 14 A 1 ATOM 123 N N . GLU A 1 15 ? -0.262 3.374 0.540 1.00 97.41 15 A 1 ATOM 124 C CA . GLU A 1 15 ? -1.248 4.372 0.138 1.00 97.53 15 A 1 ATOM 125 C C . GLU A 1 15 ? -2.666 3.788 0.140 1.00 97.90 15 A 1 ATOM 126 O O . GLU A 1 15 ? -3.599 4.416 0.653 1.00 97.68 15 A 1 ATOM 127 C CB . GLU A 1 15 ? -0.937 4.889 -1.258 1.00 97.14 15 A 1 ATOM 128 C CG . GLU A 1 15 ? 0.277 5.830 -1.302 1.00 92.58 15 A 1 ATOM 129 C CD . GLU A 1 15 ? 0.474 6.431 -2.700 1.00 89.10 15 A 1 ATOM 130 O OE1 . GLU A 1 15 ? 1.521 7.079 -2.893 1.00 82.82 15 A 1 ATOM 131 O OE2 . GLU A 1 15 ? -0.466 6.315 -3.531 1.00 84.45 15 A 1 ATOM 132 N N . LEU A 1 16 ? -2.831 2.591 -0.419 1.00 97.87 16 A 1 ATOM 133 C CA . LEU A 1 16 ? -4.117 1.914 -0.473 1.00 98.09 16 A 1 ATOM 134 C C . LEU A 1 16 ? -4.603 1.515 0.922 1.00 98.24 16 A 1 ATOM 135 O O . LEU A 1 16 ? -5.777 1.711 1.228 1.00 98.21 16 A 1 ATOM 136 C CB . LEU A 1 16 ? -4.008 0.710 -1.418 1.00 97.86 16 A 1 ATOM 137 C CG . LEU A 1 16 ? -5.345 -0.026 -1.610 1.00 97.04 16 A 1 ATOM 138 C CD1 . LEU A 1 16 ? -6.397 0.842 -2.295 1.00 96.02 16 A 1 ATOM 139 C CD2 . LEU A 1 16 ? -5.123 -1.265 -2.470 1.00 96.00 16 A 1 ATOM 140 N N . GLU A 1 17 ? -3.724 1.024 1.792 1.00 98.04 17 A 1 ATOM 141 C CA . GLU A 1 17 ? -4.029 0.690 3.189 1.00 97.82 17 A 1 ATOM 142 C C . GLU A 1 17 ? -4.569 1.909 3.944 1.00 98.04 17 A 1 ATOM 143 O O . GLU A 1 17 ? -5.630 1.850 4.575 1.00 98.03 17 A 1 ATOM 144 C CB . GLU A 1 17 ? -2.757 0.150 3.865 1.00 97.30 17 A 1 ATOM 145 C CG . GLU A 1 17 ? -3.014 -0.297 5.308 1.00 93.91 17 A 1 ATOM 146 C CD . GLU A 1 17 ? -1.727 -0.839 5.952 1.00 88.50 17 A 1 ATOM 147 O OE1 . GLU A 1 17 ? -1.761 -1.989 6.424 1.00 78.96 17 A 1 ATOM 148 O OE2 . GLU A 1 17 ? -0.726 -0.083 5.956 1.00 79.74 17 A 1 ATOM 149 N N . THR A 1 18 ? -3.908 3.061 3.786 1.00 98.48 18 A 1 ATOM 150 C CA . THR A 1 18 ? -4.348 4.322 4.387 1.00 98.42 18 A 1 ATOM 151 C C . THR A 1 18 ? -5.737 4.733 3.890 1.00 98.47 18 A 1 ATOM 152 O O . THR A 1 18 ? -6.610 5.108 4.686 1.00 98.16 18 A 1 ATOM 153 C CB . THR A 1 18 ? -3.339 5.440 4.074 1.00 98.22 18 A 1 ATOM 154 O OG1 . THR A 1 18 ? -2.065 5.119 4.575 1.00 94.64 18 A 1 ATOM 155 C CG2 . THR A 1 18 ? -3.743 6.778 4.719 1.00 92.30 18 A 1 ATOM 156 N N . LYS A 1 19 ? -5.990 4.655 2.575 1.00 98.19 19 A 1 ATOM 157 C CA . LYS A 1 19 ? -7.291 4.985 1.973 1.00 98.06 19 A 1 ATOM 158 C C . LYS A 1 19 ? -8.386 4.021 2.430 1.00 98.17 19 A 1 ATOM 159 O O . LYS A 1 19 ? -9.476 4.462 2.794 1.00 98.08 19 A 1 ATOM 160 C CB . LYS A 1 19 ? -7.168 4.991 0.441 1.00 97.68 19 A 1 ATOM 161 C CG . LYS A 1 19 ? -6.354 6.185 -0.098 1.00 92.98 19 A 1 ATOM 162 C CD . LYS A 1 19 ? -6.063 6.027 -1.600 1.00 89.90 19 A 1 ATOM 163 C CE . LYS A 1 19 ? -5.143 7.155 -2.088 1.00 81.70 19 A 1 ATOM 164 N NZ . LYS A 1 19 ? -4.600 6.903 -3.455 1.00 73.60 19 A 1 ATOM 165 N N . THR A 1 20 ? -8.084 2.728 2.492 1.00 98.43 20 A 1 ATOM 166 C CA . THR A 1 20 ? -9.003 1.668 2.920 1.00 98.47 20 A 1 ATOM 167 C C . THR A 1 20 ? -9.412 1.850 4.376 1.00 98.39 20 A 1 ATOM 168 O O . THR A 1 20 ? -10.593 1.820 4.701 1.00 98.06 20 A 1 ATOM 169 C CB . THR A 1 20 ? -8.362 0.284 2.725 1.00 98.36 20 A 1 ATOM 170 O OG1 . THR A 1 20 ? -7.973 0.141 1.385 1.00 96.58 20 A 1 ATOM 171 C CG2 . THR A 1 20 ? -9.327 -0.858 3.014 1.00 96.39 20 A 1 ATOM 172 N N . THR A 1 21 ? -8.447 2.138 5.253 1.00 98.18 21 A 1 ATOM 173 C CA . THR A 1 21 ? -8.708 2.418 6.674 1.00 97.89 21 A 1 ATOM 174 C C . THR A 1 21 ? -9.609 3.641 6.854 1.00 97.78 21 A 1 ATOM 175 O O . THR A 1 21 ? -10.566 3.593 7.622 1.00 97.38 21 A 1 ATOM 176 C CB . THR A 1 21 ? -7.385 2.609 7.427 1.00 97.53 21 A 1 ATOM 177 O OG1 . THR A 1 21 ? -6.628 1.433 7.324 1.00 94.70 21 A 1 ATOM 178 C CG2 . THR A 1 21 ? -7.583 2.879 8.920 1.00 93.75 21 A 1 ATOM 179 N N . LYS A 1 22 ? -9.361 4.728 6.105 1.00 97.45 22 A 1 ATOM 180 C CA . LYS A 1 22 ? -10.204 5.929 6.143 1.00 97.28 22 A 1 ATOM 181 C C . LYS A 1 22 ? -11.631 5.664 5.650 1.00 97.02 22 A 1 ATOM 182 O O . LYS A 1 22 ? -12.574 6.155 6.264 1.00 96.64 22 A 1 ATOM 183 C CB . LYS A 1 22 ? -9.566 7.050 5.306 1.00 97.31 22 A 1 ATOM 184 C CG . LYS A 1 22 ? -8.354 7.686 6.007 1.00 94.76 22 A 1 ATOM 185 C CD . LYS A 1 22 ? -7.701 8.723 5.095 1.00 91.32 22 A 1 ATOM 186 C CE . LYS A 1 22 ? -6.488 9.341 5.796 1.00 86.83 22 A 1 ATOM 187 N NZ . LYS A 1 22 ? -5.808 10.346 4.946 1.00 77.95 22 A 1 ATOM 188 N N . LEU A 1 23 ? -11.782 4.897 4.573 1.00 97.26 23 A 1 ATOM 189 C CA . LEU A 1 23 ? -13.099 4.534 4.057 1.00 97.09 23 A 1 ATOM 190 C C . LEU A 1 23 ? -13.856 3.653 5.051 1.00 96.73 23 A 1 ATOM 191 O O . LEU A 1 23 ? -15.033 3.892 5.314 1.00 96.66 23 A 1 ATOM 192 C CB . LEU A 1 23 ? -12.948 3.866 2.680 1.00 97.18 23 A 1 ATOM 193 C CG . LEU A 1 23 ? -14.279 3.432 2.046 1.00 96.47 23 A 1 ATOM 194 C CD1 . LEU A 1 23 ? -15.272 4.588 1.897 1.00 95.38 23 A 1 ATOM 195 C CD2 . LEU A 1 23 ? -14.024 2.845 0.660 1.00 95.78 23 A 1 ATOM 196 N N . ARG A 1 24 ? -13.192 2.689 5.681 1.00 97.14 24 A 1 ATOM 197 C CA . ARG A 1 24 ? -13.769 1.840 6.725 1.00 96.90 24 A 1 ATOM 198 C C . ARG A 1 24 ? -14.243 2.672 7.924 1.00 96.52 24 A 1 ATOM 199 O O . ARG A 1 24 ? -15.384 2.522 8.352 1.00 96.19 24 A 1 ATOM 200 C CB . ARG A 1 24 ? -12.751 0.763 7.135 1.00 96.79 24 A 1 ATOM 201 C CG . ARG A 1 24 ? -13.391 -0.290 8.054 1.00 94.64 24 A 1 ATOM 202 C CD . ARG A 1 24 ? -12.362 -1.306 8.578 1.00 92.66 24 A 1 ATOM 203 N NE . ARG A 1 24 ? -11.749 -2.127 7.519 1.00 85.19 24 A 1 ATOM 204 C CZ . ARG A 1 24 ? -10.475 -2.473 7.418 1.00 80.00 24 A 1 ATOM 205 N NH1 . ARG A 1 24 ? -9.575 -2.066 8.266 1.00 72.44 24 A 1 ATOM 206 N NH2 . ARG A 1 24 ? -10.084 -3.249 6.457 1.00 71.76 24 A 1 ATOM 207 N N . ASP A 1 25 ? -13.405 3.584 8.428 1.00 96.96 25 A 1 ATOM 208 C CA . ASP A 1 25 ? -13.781 4.503 9.517 1.00 96.56 25 A 1 ATOM 209 C C . ASP A 1 25 ? -14.998 5.360 9.148 1.00 96.27 25 A 1 ATOM 210 O O . ASP A 1 25 ? -15.922 5.519 9.951 1.00 95.23 25 A 1 ATOM 211 C CB . ASP A 1 25 ? -12.589 5.413 9.877 1.00 95.99 25 A 1 ATOM 212 C CG . ASP A 1 25 ? -12.970 6.433 10.956 1.00 82.34 25 A 1 ATOM 213 O OD1 . ASP A 1 25 ? -13.190 6.005 12.111 1.00 77.27 25 A 1 ATOM 214 O OD2 . ASP A 1 25 ? -13.090 7.651 10.640 1.00 76.42 25 A 1 ATOM 215 N N . PHE A 1 26 ? -15.040 5.878 7.925 1.00 95.61 26 A 1 ATOM 216 C CA . PHE A 1 26 ? -16.178 6.645 7.435 1.00 95.05 26 A 1 ATOM 217 C C . PHE A 1 26 ? -17.472 5.822 7.437 1.00 94.90 26 A 1 ATOM 218 O O . PHE A 1 26 ? -18.477 6.284 7.976 1.00 94.16 26 A 1 ATOM 219 C CB . PHE A 1 26 ? -15.856 7.206 6.040 1.00 95.17 26 A 1 ATOM 220 C CG . PHE A 1 26 ? -17.034 7.908 5.402 1.00 95.09 26 A 1 ATOM 221 C CD1 . PHE A 1 26 ? -17.831 7.231 4.462 1.00 93.51 26 A 1 ATOM 222 C CD2 . PHE A 1 26 ? -17.359 9.214 5.795 1.00 94.43 26 A 1 ATOM 223 C CE1 . PHE A 1 26 ? -18.956 7.868 3.911 1.00 93.49 26 A 1 ATOM 224 C CE2 . PHE A 1 26 ? -18.486 9.852 5.243 1.00 94.05 26 A 1 ATOM 225 C CZ . PHE A 1 26 ? -19.281 9.178 4.304 1.00 94.17 26 A 1 ATOM 226 N N . LEU A 1 27 ? -17.442 4.605 6.894 1.00 94.73 27 A 1 ATOM 227 C CA . LEU A 1 27 ? -18.603 3.708 6.827 1.00 94.00 27 A 1 ATOM 228 C C . LEU A 1 27 ? -19.115 3.300 8.210 1.00 92.81 27 A 1 ATOM 229 O O . LEU A 1 27 ? -20.319 3.230 8.408 1.00 90.79 27 A 1 ATOM 230 C CB . LEU A 1 27 ? -18.229 2.463 6.000 1.00 94.46 27 A 1 ATOM 231 C CG . LEU A 1 27 ? -18.108 2.724 4.493 1.00 94.11 27 A 1 ATOM 232 C CD1 . LEU A 1 27 ? -17.529 1.491 3.801 1.00 92.42 27 A 1 ATOM 233 C CD2 . LEU A 1 27 ? -19.463 3.016 3.845 1.00 92.97 27 A 1 ATOM 234 N N . ILE A 1 28 ? -18.234 3.082 9.181 1.00 93.91 28 A 1 ATOM 235 C CA . ILE A 1 28 ? -18.622 2.664 10.534 1.00 92.70 28 A 1 ATOM 236 C C . ILE A 1 28 ? -19.137 3.847 11.368 1.00 91.51 28 A 1 ATOM 237 O O . ILE A 1 28 ? -20.137 3.726 12.064 1.00 89.28 28 A 1 ATOM 238 C CB . ILE A 1 28 ? -17.432 1.941 11.221 1.00 92.96 28 A 1 ATOM 239 C CG1 . ILE A 1 28 ? -17.122 0.615 10.488 1.00 91.36 28 A 1 ATOM 240 C CG2 . ILE A 1 28 ? -17.714 1.673 12.713 1.00 90.59 28 A 1 ATOM 241 C CD1 . ILE A 1 28 ? -15.815 -0.053 10.940 1.00 87.00 28 A 1 ATOM 242 N N . ASN A 1 29 ? -18.465 4.999 11.302 1.00 92.89 29 A 1 ATOM 243 C CA . ASN A 1 29 ? -18.644 6.052 12.300 1.00 90.84 29 A 1 ATOM 244 C C . ASN A 1 29 ? -19.333 7.314 11.769 1.00 90.12 29 A 1 ATOM 245 O O . ASN A 1 29 ? -19.752 8.158 12.570 1.00 87.33 29 A 1 ATOM 246 C CB . ASN A 1 29 ? -17.261 6.393 12.892 1.00 90.49 29 A 1 ATOM 247 C CG . ASN A 1 29 ? -16.606 5.205 13.572 1.00 87.64 29 A 1 ATOM 248 O OD1 . ASN A 1 29 ? -17.206 4.534 14.397 1.00 80.59 29 A 1 ATOM 249 N ND2 . ASN A 1 29 ? -15.367 4.914 13.270 1.00 79.89 29 A 1 ATOM 250 N N . LYS A 1 30 ? -19.403 7.501 10.454 1.00 89.23 30 A 1 ATOM 251 C CA . LYS A 1 30 ? -19.788 8.790 9.858 1.00 88.13 30 A 1 ATOM 252 C C . LYS A 1 30 ? -20.905 8.703 8.831 1.00 87.50 30 A 1 ATOM 253 O O . LYS A 1 30 ? -21.621 9.688 8.679 1.00 86.45 30 A 1 ATOM 254 C CB . LYS A 1 30 ? -18.554 9.488 9.264 1.00 87.30 30 A 1 ATOM 255 C CG . LYS A 1 30 ? -17.488 9.792 10.330 1.00 83.25 30 A 1 ATOM 256 C CD . LYS A 1 30 ? -16.217 10.387 9.714 1.00 80.03 30 A 1 ATOM 257 C CE . LYS A 1 30 ? -15.195 10.557 10.834 1.00 75.17 30 A 1 ATOM 258 N NZ . LYS A 1 30 ? -13.799 10.585 10.325 1.00 66.02 30 A 1 ATOM 259 N N . ILE A 1 31 ? -21.091 7.575 8.151 1.00 90.66 31 A 1 ATOM 260 C CA . ILE A 1 31 ? -22.027 7.468 7.021 1.00 89.92 31 A 1 ATOM 261 C C . ILE A 1 31 ? -23.468 7.832 7.411 1.00 89.03 31 A 1 ATOM 262 O O . ILE A 1 31 ? -24.124 8.564 6.672 1.00 85.84 31 A 1 ATOM 263 C CB . ILE A 1 31 ? -21.920 6.084 6.349 1.00 89.99 31 A 1 ATOM 264 C CG1 . ILE A 1 31 ? -22.528 6.161 4.937 1.00 89.38 31 A 1 ATOM 265 C CG2 . ILE A 1 31 ? -22.561 4.965 7.194 1.00 87.86 31 A 1 ATOM 266 C CD1 . ILE A 1 31 ? -22.197 4.938 4.077 1.00 85.22 31 A 1 ATOM 267 N N . ASP A 1 32 ? -23.921 7.439 8.598 1.00 88.55 32 A 1 ATOM 268 C CA . ASP A 1 32 ? -25.278 7.718 9.081 1.00 87.36 32 A 1 ATOM 269 C C . ASP A 1 32 ? -25.518 9.196 9.421 1.00 88.06 32 A 1 ATOM 270 O O . ASP A 1 32 ? -26.657 9.632 9.568 1.00 84.57 32 A 1 ATOM 271 C CB . ASP A 1 32 ? -25.573 6.836 10.297 1.00 83.42 32 A 1 ATOM 272 C CG . ASP A 1 32 ? -25.560 5.350 9.954 1.00 76.36 32 A 1 ATOM 273 O OD1 . ASP A 1 32 ? -25.912 5.022 8.791 1.00 71.36 32 A 1 ATOM 274 O OD2 . ASP A 1 32 ? -25.179 4.572 10.849 1.00 72.49 32 A 1 ATOM 275 N N . LYS A 1 33 ? -24.447 9.988 9.519 1.00 87.75 33 A 1 ATOM 276 C CA . LYS A 1 33 ? -24.501 11.439 9.745 1.00 87.79 33 A 1 ATOM 277 C C . LYS A 1 33 ? -24.505 12.236 8.438 1.00 88.71 33 A 1 ATOM 278 O O . LYS A 1 33 ? -24.409 13.456 8.472 1.00 85.68 33 A 1 ATOM 279 C CB . LYS A 1 33 ? -23.350 11.870 10.664 1.00 86.76 33 A 1 ATOM 280 C CG . LYS A 1 33 ? -23.343 11.113 12.001 1.00 84.52 33 A 1 ATOM 281 C CD . LYS A 1 33 ? -22.122 11.483 12.838 1.00 79.63 33 A 1 ATOM 282 C CE . LYS A 1 33 ? -22.112 10.598 14.102 1.00 76.49 33 A 1 ATOM 283 N NZ . LYS A 1 33 ? -20.849 10.712 14.853 1.00 68.92 33 A 1 ATOM 284 N N . THR A 1 34 ? -24.561 11.562 7.298 1.00 86.11 34 A 1 ATOM 285 C CA . THR A 1 34 ? -24.528 12.168 5.974 1.00 85.23 34 A 1 ATOM 286 C C . THR A 1 34 ? -25.875 12.019 5.262 1.00 86.23 34 A 1 ATOM 287 O O . THR A 1 34 ? -26.676 11.145 5.580 1.00 84.18 34 A 1 ATOM 288 C CB . THR A 1 34 ? -23.409 11.598 5.097 1.00 85.17 34 A 1 ATOM 289 O OG1 . THR A 1 34 ? -23.699 10.285 4.680 1.00 83.72 34 A 1 ATOM 290 C CG2 . THR A 1 34 ? -22.037 11.601 5.777 1.00 82.14 34 A 1 ATOM 291 N N . SER A 1 35 ? -26.109 12.844 4.246 1.00 89.84 35 A 1 ATOM 292 C CA . SER A 1 35 ? -27.269 12.751 3.352 1.00 90.47 35 A 1 ATOM 293 C C . SER A 1 35 ? -27.035 11.818 2.153 1.00 90.90 35 A 1 ATOM 294 O O . SER A 1 35 ? -27.704 11.969 1.128 1.00 87.86 35 A 1 ATOM 295 C CB . SER A 1 35 ? -27.662 14.159 2.889 1.00 89.43 35 A 1 ATOM 296 O OG . SER A 1 35 ? -26.581 14.751 2.191 1.00 80.95 35 A 1 ATOM 297 N N . ILE A 1 36 ? -26.063 10.910 2.229 1.00 90.40 36 A 1 ATOM 298 C CA . ILE A 1 36 ? -25.753 9.961 1.158 1.00 90.91 36 A 1 ATOM 299 C C . ILE A 1 36 ? -26.912 8.965 1.017 1.00 90.66 36 A 1 ATOM 300 O O . ILE A 1 36 ? -27.347 8.358 2.000 1.00 88.74 36 A 1 ATOM 301 C CB . ILE A 1 36 ? -24.393 9.267 1.414 1.00 90.39 36 A 1 ATOM 302 C CG1 . ILE A 1 36 ? -23.250 10.310 1.348 1.00 86.85 36 A 1 ATOM 303 C CG2 . ILE A 1 36 ? -24.131 8.144 0.395 1.00 86.17 36 A 1 ATOM 304 C CD1 . ILE A 1 36 ? -21.861 9.754 1.719 1.00 83.11 36 A 1 ATOM 305 N N . ASP A 1 37 ? -27.423 8.800 -0.214 1.00 92.66 37 A 1 ATOM 306 C CA . ASP A 1 37 ? -28.498 7.862 -0.519 1.00 92.68 37 A 1 ATOM 307 C C . ASP A 1 37 ? -28.039 6.397 -0.422 1.00 93.20 37 A 1 ATOM 308 O O . ASP A 1 37 ? -26.840 6.091 -0.439 1.00 92.59 37 A 1 ATOM 309 C CB . ASP A 1 37 ? -29.089 8.181 -1.902 1.00 91.99 37 A 1 ATOM 310 C CG . ASP A 1 37 ? -28.068 7.907 -2.992 1.00 90.43 37 A 1 ATOM 311 O OD1 . ASP A 1 37 ? -27.918 6.724 -3.374 1.00 84.48 37 A 1 ATOM 312 O OD2 . ASP A 1 37 ? -27.362 8.859 -3.391 1.00 85.39 37 A 1 ATOM 313 N N . ASN A 1 38 ? -28.997 5.472 -0.336 1.00 92.60 38 A 1 ATOM 314 C CA . ASN A 1 38 ? -28.723 4.054 -0.116 1.00 93.36 38 A 1 ATOM 315 C C . ASN A 1 38 ? -27.882 3.413 -1.234 1.00 94.69 38 A 1 ATOM 316 O O . ASN A 1 38 ? -27.006 2.611 -0.925 1.00 93.94 38 A 1 ATOM 317 C CB . ASN A 1 38 ? -30.054 3.301 0.060 1.00 91.86 38 A 1 ATOM 318 C CG . ASN A 1 38 ? -30.782 3.680 1.337 1.00 87.47 38 A 1 ATOM 319 O OD1 . ASN A 1 38 ? -30.227 4.193 2.293 1.00 81.36 38 A 1 ATOM 320 N ND2 . ASN A 1 38 ? -32.068 3.433 1.393 1.00 79.89 38 A 1 ATOM 321 N N . LEU A 1 39 ? -28.095 3.805 -2.497 1.00 93.81 39 A 1 ATOM 322 C CA . LEU A 1 39 ? -27.307 3.258 -3.603 1.00 94.86 39 A 1 ATOM 323 C C . LEU A 1 39 ? -25.832 3.648 -3.466 1.00 95.13 39 A 1 ATOM 324 O O . LEU A 1 39 ? -24.952 2.794 -3.594 1.00 95.15 39 A 1 ATOM 325 C CB . LEU A 1 39 ? -27.911 3.743 -4.936 1.00 95.62 39 A 1 ATOM 326 C CG . LEU A 1 39 ? -27.111 3.316 -6.185 1.00 93.01 39 A 1 ATOM 327 C CD1 . LEU A 1 39 ? -27.049 1.792 -6.335 1.00 89.12 39 A 1 ATOM 328 C CD2 . LEU A 1 39 ? -27.765 3.900 -7.428 1.00 90.43 39 A 1 ATOM 329 N N . ASN A 1 40 ? -25.536 4.910 -3.141 1.00 94.17 40 A 1 ATOM 330 C CA . ASN A 1 40 ? -24.172 5.352 -2.900 1.00 94.13 40 A 1 ATOM 331 C C . ASN A 1 40 ? -23.555 4.700 -1.654 1.00 94.41 40 A 1 ATOM 332 O O . ASN A 1 40 ? -22.365 4.389 -1.670 1.00 94.26 40 A 1 ATOM 333 C CB . ASN A 1 40 ? -24.150 6.887 -2.826 1.00 93.57 40 A 1 ATOM 334 C CG . ASN A 1 40 ? -24.104 7.502 -4.206 1.00 91.19 40 A 1 ATOM 335 O OD1 . ASN A 1 40 ? -23.128 7.362 -4.924 1.00 86.96 40 A 1 ATOM 336 N ND2 . ASN A 1 40 ? -25.119 8.204 -4.632 1.00 85.82 40 A 1 ATOM 337 N N . LYS A 1 41 ? -24.339 4.423 -0.600 1.00 93.43 41 A 1 ATOM 338 C CA . LYS A 1 41 ? -23.866 3.647 0.555 1.00 93.25 41 A 1 ATOM 339 C C . LYS A 1 41 ? -23.445 2.235 0.143 1.00 94.59 41 A 1 ATOM 340 O O . LYS A 1 41 ? -22.346 1.805 0.494 1.00 94.92 41 A 1 ATOM 341 C CB . LYS A 1 41 ? -24.934 3.586 1.654 1.00 91.95 41 A 1 ATOM 342 C CG . LYS A 1 41 ? -25.185 4.945 2.320 1.00 85.97 41 A 1 ATOM 343 C CD . LYS A 1 41 ? -26.251 4.851 3.421 1.00 83.44 41 A 1 ATOM 344 C CE . LYS A 1 41 ? -26.453 6.229 4.046 1.00 77.19 41 A 1 ATOM 345 N NZ . LYS A 1 41 ? -27.438 6.184 5.155 1.00 71.32 41 A 1 ATOM 346 N N . ASP A 1 42 ? -24.257 1.546 -0.652 1.00 95.26 42 A 1 ATOM 347 C CA . ASP A 1 42 ? -23.951 0.202 -1.146 1.00 96.03 42 A 1 ATOM 348 C C . ASP A 1 42 ? -22.699 0.196 -2.040 1.00 97.01 42 A 1 ATOM 349 O O . ASP A 1 42 ? -21.832 -0.675 -1.911 1.00 97.09 42 A 1 ATOM 350 C CB . ASP A 1 42 ? -25.161 -0.362 -1.916 1.00 95.51 42 A 1 ATOM 351 C CG . ASP A 1 42 ? -26.352 -0.707 -1.019 1.00 92.22 42 A 1 ATOM 352 O OD1 . ASP A 1 42 ? -26.140 -0.918 0.192 1.00 89.11 42 A 1 ATOM 353 O OD2 . ASP A 1 42 ? -27.469 -0.828 -1.576 1.00 88.83 42 A 1 ATOM 354 N N . LEU A 1 43 ? -22.543 1.213 -2.897 1.00 96.35 43 A 1 ATOM 355 C CA . LEU A 1 43 ? -21.349 1.377 -3.734 1.00 96.81 43 A 1 ATOM 356 C C . LEU A 1 43 ? -20.085 1.633 -2.902 1.00 97.23 43 A 1 ATOM 357 O O . LEU A 1 43 ? -19.037 1.075 -3.220 1.00 97.34 43 A 1 ATOM 358 C CB . LEU A 1 43 ? -21.582 2.513 -4.744 1.00 96.99 43 A 1 ATOM 359 C CG . LEU A 1 43 ? -22.589 2.188 -5.865 1.00 95.66 43 A 1 ATOM 360 C CD1 . LEU A 1 43 ? -22.822 3.442 -6.707 1.00 94.48 43 A 1 ATOM 361 C CD2 . LEU A 1 43 ? -22.098 1.077 -6.784 1.00 94.79 43 A 1 ATOM 362 N N . LEU A 1 44 ? -20.163 2.404 -1.813 1.00 96.24 44 A 1 ATOM 363 C CA . LEU A 1 44 ? -19.026 2.612 -0.902 1.00 96.17 44 A 1 ATOM 364 C C . LEU A 1 44 ? -18.624 1.317 -0.189 1.00 96.71 44 A 1 ATOM 365 O O . LEU A 1 44 ? -17.429 1.054 -0.013 1.00 97.09 44 A 1 ATOM 366 C CB . LEU A 1 44 ? -19.392 3.699 0.123 1.00 95.76 44 A 1 ATOM 367 C CG . LEU A 1 44 ? -19.433 5.131 -0.443 1.00 93.91 44 A 1 ATOM 368 C CD1 . LEU A 1 44 ? -20.078 6.059 0.594 1.00 92.03 44 A 1 ATOM 369 C CD2 . LEU A 1 44 ? -18.036 5.668 -0.747 1.00 92.07 44 A 1 ATOM 370 N N . ILE A 1 45 ? -19.596 0.472 0.194 1.00 96.75 45 A 1 ATOM 371 C CA . ILE A 1 45 ? -19.317 -0.860 0.761 1.00 96.93 45 A 1 ATOM 372 C C . ILE A 1 45 ? -18.654 -1.763 -0.281 1.00 97.53 45 A 1 ATOM 373 O O . ILE A 1 45 ? -17.669 -2.445 0.019 1.00 97.68 45 A 1 ATOM 374 C CB . ILE A 1 45 ? -20.618 -1.481 1.322 1.00 96.42 45 A 1 ATOM 375 C CG1 . ILE A 1 45 ? -21.129 -0.674 2.537 1.00 95.42 45 A 1 ATOM 376 C CG2 . ILE A 1 45 ? -20.390 -2.951 1.733 1.00 95.56 45 A 1 ATOM 377 C CD1 . ILE A 1 45 ? -22.586 -0.997 2.921 1.00 91.51 45 A 1 ATOM 378 N N . ALA A 1 46 ? -19.157 -1.773 -1.520 1.00 98.15 46 A 1 ATOM 379 C CA . ALA A 1 46 ? -18.544 -2.521 -2.616 1.00 98.33 46 A 1 ATOM 380 C C . ALA A 1 46 ? -17.114 -2.041 -2.910 1.00 98.55 46 A 1 ATOM 381 O O . ALA A 1 46 ? -16.214 -2.867 -3.074 1.00 98.52 46 A 1 ATOM 382 C CB . ALA A 1 46 ? -19.453 -2.421 -3.847 1.00 98.22 46 A 1 ATOM 383 N N . GLN A 1 47 ? -16.893 -0.729 -2.901 1.00 98.20 47 A 1 ATOM 384 C CA . GLN A 1 47 ? -15.565 -0.128 -3.050 1.00 98.35 47 A 1 ATOM 385 C C . GLN A 1 47 ? -14.611 -0.587 -1.937 1.00 98.57 47 A 1 ATOM 386 O O . GLN A 1 47 ? -13.495 -1.002 -2.243 1.00 98.54 47 A 1 ATOM 387 C CB . GLN A 1 47 ? -15.696 1.396 -3.088 1.00 98.13 47 A 1 ATOM 388 C CG . GLN A 1 47 ? -14.332 2.082 -3.290 1.00 94.24 47 A 1 ATOM 389 C CD . GLN A 1 47 ? -14.421 3.603 -3.326 1.00 93.78 47 A 1 ATOM 390 O OE1 . GLN A 1 47 ? -15.471 4.225 -3.353 1.00 87.88 47 A 1 ATOM 391 N NE2 . GLN A 1 47 ? -13.297 4.279 -3.323 1.00 84.71 47 A 1 ATOM 392 N N . LEU A 1 48 ? -15.046 -0.565 -0.669 1.00 98.07 48 A 1 ATOM 393 C CA . LEU A 1 48 ? -14.232 -1.041 0.442 1.00 97.94 48 A 1 ATOM 394 C C . LEU A 1 48 ? -13.785 -2.491 0.227 1.00 98.04 48 A 1 ATOM 395 O O . LEU A 1 48 ? -12.593 -2.785 0.316 1.00 98.19 48 A 1 ATOM 396 C CB . LEU A 1 48 ? -14.996 -0.877 1.765 1.00 97.95 48 A 1 ATOM 397 C CG . LEU A 1 48 ? -14.234 -1.403 2.996 1.00 97.29 48 A 1 ATOM 398 C CD1 . LEU A 1 48 ? -12.934 -0.644 3.240 1.00 96.27 48 A 1 ATOM 399 C CD2 . LEU A 1 48 ? -15.092 -1.281 4.256 1.00 96.14 48 A 1 ATOM 400 N N . LYS A 1 49 ? -14.721 -3.387 -0.140 1.00 98.32 49 A 1 ATOM 401 C CA . LYS A 1 49 ? -14.425 -4.803 -0.418 1.00 98.37 49 A 1 ATOM 402 C C . LYS A 1 49 ? -13.414 -4.965 -1.558 1.00 98.44 49 A 1 ATOM 403 O O . LYS A 1 49 ? -12.504 -5.788 -1.457 1.00 98.31 49 A 1 ATOM 404 C CB . LYS A 1 49 ? -15.720 -5.552 -0.761 1.00 98.19 49 A 1 ATOM 405 C CG . LYS A 1 49 ? -16.627 -5.738 0.459 1.00 94.79 49 A 1 ATOM 406 C CD . LYS A 1 49 ? -17.939 -6.413 0.034 1.00 88.86 49 A 1 ATOM 407 C CE . LYS A 1 49 ? -18.843 -6.608 1.250 1.00 81.78 49 A 1 ATOM 408 N NZ . LYS A 1 49 ? -20.145 -7.221 0.866 1.00 72.37 49 A 1 ATOM 409 N N . ALA A 1 50 ? -13.539 -4.182 -2.632 1.00 98.74 50 A 1 ATOM 410 C CA . ALA A 1 50 ? -12.597 -4.212 -3.747 1.00 98.70 50 A 1 ATOM 411 C C . ALA A 1 50 ? -11.193 -3.757 -3.320 1.00 98.69 50 A 1 ATOM 412 O O . ALA A 1 50 ? -10.193 -4.378 -3.698 1.00 98.44 50 A 1 ATOM 413 C CB . ALA A 1 50 ? -13.155 -3.348 -4.884 1.00 98.57 50 A 1 ATOM 414 N N . MET A 1 51 ? -11.094 -2.703 -2.487 1.00 98.69 51 A 1 ATOM 415 C CA . MET A 1 51 ? -9.823 -2.214 -1.947 1.00 98.55 51 A 1 ATOM 416 C C . MET A 1 51 ? -9.161 -3.240 -1.019 1.00 98.57 51 A 1 ATOM 417 O O . MET A 1 51 ? -7.955 -3.457 -1.125 1.00 98.35 51 A 1 ATOM 418 C CB . MET A 1 51 ? -10.052 -0.884 -1.213 1.00 98.42 51 A 1 ATOM 419 C CG . MET A 1 51 ? -10.442 0.259 -2.157 1.00 97.42 51 A 1 ATOM 420 S SD . MET A 1 51 ? -11.005 1.771 -1.321 1.00 96.06 51 A 1 ATOM 421 C CE . MET A 1 51 ? -9.428 2.367 -0.647 1.00 88.69 51 A 1 ATOM 422 N N . GLU A 1 52 ? -9.920 -3.910 -0.155 1.00 98.16 52 A 1 ATOM 423 C CA . GLU A 1 52 ? -9.423 -4.975 0.723 1.00 97.91 52 A 1 ATOM 424 C C . GLU A 1 52 ? -8.916 -6.197 -0.070 1.00 97.86 52 A 1 ATOM 425 O O . GLU A 1 52 ? -7.840 -6.725 0.222 1.00 97.46 52 A 1 ATOM 426 C CB . GLU A 1 52 ? -10.536 -5.412 1.690 1.00 97.86 52 A 1 ATOM 427 C CG . GLU A 1 52 ? -10.806 -4.354 2.766 1.00 96.61 52 A 1 ATOM 428 C CD . GLU A 1 52 ? -12.013 -4.684 3.674 1.00 95.47 52 A 1 ATOM 429 O OE1 . GLU A 1 52 ? -12.056 -4.110 4.781 1.00 90.04 52 A 1 ATOM 430 O OE2 . GLU A 1 52 ? -12.884 -5.494 3.272 1.00 90.85 52 A 1 ATOM 431 N N . ALA A 1 53 ? -9.641 -6.596 -1.119 1.00 98.41 53 A 1 ATOM 432 C CA . ALA A 1 53 ? -9.195 -7.654 -2.023 1.00 98.38 53 A 1 ATOM 433 C C . ALA A 1 53 ? -7.887 -7.270 -2.728 1.00 98.13 53 A 1 ATOM 434 O O . ALA A 1 53 ? -6.953 -8.079 -2.805 1.00 97.65 53 A 1 ATOM 435 C CB . ALA A 1 53 ? -10.313 -7.945 -3.032 1.00 98.15 53 A 1 ATOM 436 N N . TYR A 1 54 ? -7.769 -6.019 -3.183 1.00 98.28 54 A 1 ATOM 437 C CA . TYR A 1 54 ? -6.547 -5.541 -3.827 1.00 97.91 54 A 1 ATOM 438 C C . TYR A 1 54 ? -5.360 -5.460 -2.862 1.00 97.75 54 A 1 ATOM 439 O O . TYR A 1 54 ? -4.262 -5.891 -3.218 1.00 97.35 54 A 1 ATOM 440 C CB . TYR A 1 54 ? -6.820 -4.210 -4.535 1.00 97.50 54 A 1 ATOM 441 C CG . TYR A 1 54 ? -5.675 -3.745 -5.424 1.00 96.77 54 A 1 ATOM 442 C CD1 . TYR A 1 54 ? -5.334 -2.368 -5.500 1.00 93.73 54 A 1 ATOM 443 C CD2 . TYR A 1 54 ? -4.945 -4.676 -6.179 1.00 93.36 54 A 1 ATOM 444 C CE1 . TYR A 1 54 ? -4.267 -1.946 -6.315 1.00 92.41 54 A 1 ATOM 445 C CE2 . TYR A 1 54 ? -3.868 -4.268 -6.982 1.00 92.40 54 A 1 ATOM 446 C CZ . TYR A 1 54 ? -3.523 -2.902 -7.051 1.00 92.78 54 A 1 ATOM 447 O OH . TYR A 1 54 ? -2.459 -2.534 -7.806 1.00 90.77 54 A 1 ATOM 448 N N . LEU A 1 55 ? -5.566 -5.031 -1.599 1.00 97.33 55 A 1 ATOM 449 C CA . LEU A 1 55 ? -4.532 -5.086 -0.550 1.00 96.87 55 A 1 ATOM 450 C C . LEU A 1 55 ? -4.011 -6.507 -0.344 1.00 96.49 55 A 1 ATOM 451 O O . LEU A 1 55 ? -2.799 -6.708 -0.252 1.00 95.81 55 A 1 ATOM 452 C CB . LEU A 1 55 ? -5.097 -4.565 0.782 1.00 96.33 55 A 1 ATOM 453 C CG . LEU A 1 55 ? -5.148 -3.042 0.904 1.00 94.11 55 A 1 ATOM 454 C CD1 . LEU A 1 55 ? -5.886 -2.663 2.190 1.00 93.02 55 A 1 ATOM 455 C CD2 . LEU A 1 55 ? -3.746 -2.424 0.965 1.00 93.73 55 A 1 ATOM 456 N N . THR A 1 56 ? -4.899 -7.500 -0.339 1.00 97.19 56 A 1 ATOM 457 C CA . THR A 1 56 ? -4.512 -8.912 -0.216 1.00 96.60 56 A 1 ATOM 458 C C . THR A 1 56 ? -3.612 -9.340 -1.376 1.00 96.26 56 A 1 ATOM 459 O O . THR A 1 56 ? -2.563 -9.942 -1.155 1.00 95.07 56 A 1 ATOM 460 C CB . THR A 1 56 ? -5.756 -9.809 -0.141 1.00 96.39 56 A 1 ATOM 461 O OG1 . THR A 1 56 ? -6.567 -9.409 0.940 1.00 94.42 56 A 1 ATOM 462 C CG2 . THR A 1 56 ? -5.398 -11.278 0.082 1.00 93.79 56 A 1 ATOM 463 N N . ILE A 1 57 ? -3.963 -8.974 -2.607 1.00 96.62 57 A 1 ATOM 464 C CA . ILE A 1 57 ? -3.153 -9.273 -3.798 1.00 96.14 57 A 1 ATOM 465 C C . ILE A 1 57 ? -1.781 -8.600 -3.707 1.00 95.47 57 A 1 ATOM 466 O O . ILE A 1 57 ? -0.760 -9.246 -3.952 1.00 94.58 57 A 1 ATOM 467 C CB . ILE A 1 57 ? -3.910 -8.863 -5.080 1.00 96.03 57 A 1 ATOM 468 C CG1 . ILE A 1 57 ? -5.166 -9.743 -5.270 1.00 95.85 57 A 1 ATOM 469 C CG2 . ILE A 1 57 ? -2.995 -8.967 -6.319 1.00 95.90 57 A 1 ATOM 470 C CD1 . ILE A 1 57 ? -6.160 -9.188 -6.299 1.00 94.06 57 A 1 ATOM 471 N N . LEU A 1 58 ? -1.720 -7.318 -3.335 1.00 96.23 58 A 1 ATOM 472 C CA . LEU A 1 58 ? -0.464 -6.588 -3.163 1.00 95.86 58 A 1 ATOM 473 C C . LEU A 1 58 ? 0.404 -7.232 -2.076 1.00 95.30 58 A 1 ATOM 474 O O . LEU A 1 58 ? 1.597 -7.435 -2.309 1.00 94.84 58 A 1 ATOM 475 C CB . LEU A 1 58 ? -0.737 -5.118 -2.827 1.00 95.81 58 A 1 ATOM 476 C CG . LEU A 1 58 ? -1.269 -4.263 -3.999 1.00 95.18 58 A 1 ATOM 477 C CD1 . LEU A 1 58 ? -1.602 -2.866 -3.462 1.00 94.26 58 A 1 ATOM 478 C CD2 . LEU A 1 58 ? -0.247 -4.116 -5.118 1.00 94.26 58 A 1 ATOM 479 N N . SER A 1 59 ? -0.168 -7.617 -0.932 1.00 95.76 59 A 1 ATOM 480 C CA . SER A 1 59 ? 0.538 -8.299 0.154 1.00 95.12 59 A 1 ATOM 481 C C . SER A 1 59 ? 1.186 -9.609 -0.314 1.00 94.75 59 A 1 ATOM 482 O O . SER A 1 59 ? 2.375 -9.829 -0.071 1.00 93.38 59 A 1 ATOM 483 C CB . SER A 1 59 ? -0.434 -8.560 1.304 1.00 94.01 59 A 1 ATOM 484 O OG . SER A 1 59 ? 0.249 -9.150 2.393 1.00 80.99 59 A 1 ATOM 485 N N . ILE A 1 60 ? 0.454 -10.435 -1.060 1.00 94.75 60 A 1 ATOM 486 C CA . ILE A 1 60 ? 0.984 -11.678 -1.635 1.00 94.37 60 A 1 ATOM 487 C C . ILE A 1 60 ? 2.136 -11.373 -2.600 1.00 93.19 60 A 1 ATOM 488 O O . ILE A 1 60 ? 3.204 -11.983 -2.510 1.00 91.50 60 A 1 ATOM 489 C CB . ILE A 1 60 ? -0.142 -12.487 -2.321 1.00 94.88 60 A 1 ATOM 490 C CG1 . ILE A 1 60 ? -1.147 -12.997 -1.269 1.00 94.63 60 A 1 ATOM 491 C CG2 . ILE A 1 60 ? 0.432 -13.673 -3.125 1.00 94.38 60 A 1 ATOM 492 C CD1 . ILE A 1 60 ? -2.469 -13.503 -1.873 1.00 92.24 60 A 1 ATOM 493 N N . ARG A 1 61 ? 1.960 -10.404 -3.514 1.00 93.52 61 A 1 ATOM 494 C CA . ARG A 1 61 ? 3.004 -10.020 -4.476 1.00 92.77 61 A 1 ATOM 495 C C . ARG A 1 61 ? 4.261 -9.507 -3.784 1.00 92.06 61 A 1 ATOM 496 O O . ARG A 1 61 ? 5.357 -9.862 -4.205 1.00 90.66 61 A 1 ATOM 497 C CB . ARG A 1 61 ? 2.471 -8.958 -5.440 1.00 92.62 61 A 1 ATOM 498 C CG . ARG A 1 61 ? 1.450 -9.528 -6.431 1.00 90.11 61 A 1 ATOM 499 C CD . ARG A 1 61 ? 0.915 -8.425 -7.353 1.00 88.71 61 A 1 ATOM 500 N NE . ARG A 1 61 ? 1.957 -7.946 -8.282 1.00 84.20 61 A 1 ATOM 501 C CZ . ARG A 1 61 ? 1.936 -6.817 -8.974 1.00 81.56 61 A 1 ATOM 502 N NH1 . ARG A 1 61 ? 0.954 -5.962 -8.886 1.00 77.85 61 A 1 ATOM 503 N NH2 . ARG A 1 61 ? 2.931 -6.519 -9.769 1.00 76.15 61 A 1 ATOM 504 N N . ILE A 1 62 ? 4.130 -8.699 -2.733 1.00 92.64 62 A 1 ATOM 505 C CA . ILE A 1 62 ? 5.251 -8.217 -1.925 1.00 91.45 62 A 1 ATOM 506 C C . ILE A 1 62 ? 5.967 -9.390 -1.256 1.00 89.36 62 A 1 ATOM 507 O O . ILE A 1 62 ? 7.182 -9.497 -1.392 1.00 85.77 62 A 1 ATOM 508 C CB . ILE A 1 62 ? 4.760 -7.167 -0.903 1.00 91.51 62 A 1 ATOM 509 C CG1 . ILE A 1 62 ? 4.384 -5.862 -1.636 1.00 90.70 62 A 1 ATOM 510 C CG2 . ILE A 1 62 ? 5.817 -6.878 0.178 1.00 90.33 62 A 1 ATOM 511 C CD1 . ILE A 1 62 ? 3.482 -4.931 -0.808 1.00 88.94 62 A 1 ATOM 512 N N . GLY A 1 63 ? 5.237 -10.305 -0.609 1.00 89.26 63 A 1 ATOM 513 C CA . GLY A 1 63 ? 5.811 -11.475 0.040 1.00 86.70 63 A 1 ATOM 514 C C . GLY A 1 63 ? 6.587 -12.382 -0.921 1.00 86.71 63 A 1 ATOM 515 O O . GLY A 1 63 ? 7.706 -12.777 -0.613 1.00 84.87 63 A 1 ATOM 516 N N . LEU A 1 64 ? 6.041 -12.641 -2.112 1.00 83.10 64 A 1 ATOM 517 C CA . LEU A 1 64 ? 6.681 -13.474 -3.137 1.00 80.54 64 A 1 ATOM 518 C C . LEU A 1 64 ? 7.946 -12.850 -3.744 1.00 78.34 64 A 1 ATOM 519 O O . LEU A 1 64 ? 8.771 -13.576 -4.290 1.00 75.78 64 A 1 ATOM 520 C CB . LEU A 1 64 ? 5.679 -13.749 -4.270 1.00 81.29 64 A 1 ATOM 521 C CG . LEU A 1 64 ? 4.539 -14.713 -3.910 1.00 75.29 64 A 1 ATOM 522 C CD1 . LEU A 1 64 ? 3.546 -14.763 -5.079 1.00 71.70 64 A 1 ATOM 523 C CD2 . LEU A 1 64 ? 5.040 -16.136 -3.649 1.00 71.44 64 A 1 ATOM 524 N N . ASN A 1 65 ? 8.074 -11.523 -3.705 1.00 81.92 65 A 1 ATOM 525 C CA . ASN A 1 65 ? 9.170 -10.800 -4.344 1.00 78.51 65 A 1 ATOM 526 C C . ASN A 1 65 ? 10.087 -10.105 -3.332 1.00 78.47 65 A 1 ATOM 527 O O . ASN A 1 65 ? 10.939 -9.303 -3.720 1.00 75.53 65 A 1 ATOM 528 C CB . ASN A 1 65 ? 8.600 -9.825 -5.376 1.00 76.79 65 A 1 ATOM 529 C CG . ASN A 1 65 ? 7.921 -10.530 -6.536 1.00 73.87 65 A 1 ATOM 530 O OD1 . ASN A 1 65 ? 8.532 -10.897 -7.522 1.00 68.34 65 A 1 ATOM 531 N ND2 . ASN A 1 65 ? 6.629 -10.716 -6.478 1.00 67.43 65 A 1 ATOM 532 N N . GLN A 1 66 ? 9.927 -10.391 -2.034 1.00 80.41 66 A 1 ATOM 533 C CA . GLN A 1 66 ? 10.815 -9.877 -1.012 1.00 79.68 66 A 1 ATOM 534 C C . GLN A 1 66 ? 12.232 -10.426 -1.237 1.00 79.15 66 A 1 ATOM 535 O O . GLN A 1 66 ? 12.382 -11.640 -1.365 1.00 75.68 66 A 1 ATOM 536 C CB . GLN A 1 66 ? 10.277 -10.240 0.376 1.00 77.41 66 A 1 ATOM 537 C CG . GLN A 1 66 ? 11.135 -9.631 1.490 1.00 70.81 66 A 1 ATOM 538 C CD . GLN A 1 66 ? 10.552 -9.820 2.883 1.00 66.47 66 A 1 ATOM 539 O OE1 . GLN A 1 66 ? 9.423 -10.211 3.093 1.00 62.59 66 A 1 ATOM 540 N NE2 . GLN A 1 66 ? 11.305 -9.520 3.919 1.00 57.04 66 A 1 ATOM 541 N N . PRO A 1 67 ? 13.270 -9.575 -1.233 1.00 74.15 67 A 1 ATOM 542 C CA . PRO A 1 67 ? 14.643 -10.037 -1.371 1.00 73.10 67 A 1 ATOM 543 C C . PRO A 1 67 ? 14.984 -11.053 -0.285 1.00 74.63 67 A 1 ATOM 544 O O . PRO A 1 67 ? 14.731 -10.819 0.907 1.00 72.14 67 A 1 ATOM 545 C CB . PRO A 1 67 ? 15.535 -8.798 -1.276 1.00 69.93 67 A 1 ATOM 546 C CG . PRO A 1 67 ? 14.598 -7.660 -1.685 1.00 68.69 67 A 1 ATOM 547 C CD . PRO A 1 67 ? 13.236 -8.127 -1.192 1.00 72.15 67 A 1 ATOM 548 N N . THR A 1 68 ? 15.588 -12.181 -0.692 1.00 76.16 68 A 1 ATOM 549 C CA . THR A 1 68 ? 16.074 -13.218 0.216 1.00 77.71 68 A 1 ATOM 550 C C . THR A 1 68 ? 17.236 -12.689 1.063 1.00 79.97 68 A 1 ATOM 551 O O . THR A 1 68 ? 17.849 -11.665 0.763 1.00 78.02 68 A 1 ATOM 552 C CB . THR A 1 68 ? 16.499 -14.479 -0.548 1.00 73.78 68 A 1 ATOM 553 O OG1 . THR A 1 68 ? 17.572 -14.186 -1.399 1.00 70.30 68 A 1 ATOM 554 C CG2 . THR A 1 68 ? 15.365 -15.083 -1.385 1.00 69.32 68 A 1 ATOM 555 N N . GLN A 1 69 ? 17.552 -13.384 2.166 1.00 75.37 69 A 1 ATOM 556 C CA . GLN A 1 69 ? 18.699 -13.008 2.998 1.00 75.76 69 A 1 ATOM 557 C C . GLN A 1 69 ? 20.016 -13.086 2.217 1.00 77.29 69 A 1 ATOM 558 O O . GLN A 1 69 ? 20.885 -12.239 2.397 1.00 78.30 69 A 1 ATOM 559 C CB . GLN A 1 69 ? 18.759 -13.907 4.241 1.00 74.90 69 A 1 ATOM 560 C CG . GLN A 1 69 ? 17.605 -13.670 5.231 1.00 68.41 69 A 1 ATOM 561 C CD . GLN A 1 69 ? 17.635 -12.300 5.911 1.00 60.00 69 A 1 ATOM 562 O OE1 . GLN A 1 69 ? 18.533 -11.494 5.788 1.00 59.88 69 A 1 ATOM 563 N NE2 . GLN A 1 69 ? 16.615 -11.963 6.670 1.00 54.21 69 A 1 ATOM 564 N N . GLU A 1 70 ? 20.135 -14.053 1.306 1.00 75.81 70 A 1 ATOM 565 C CA . GLU A 1 70 ? 21.302 -14.228 0.442 1.00 76.23 70 A 1 ATOM 566 C C . GLU A 1 70 ? 21.456 -13.065 -0.551 1.00 76.01 70 A 1 ATOM 567 O O . GLU A 1 70 ? 22.551 -12.516 -0.694 1.00 75.11 70 A 1 ATOM 568 C CB . GLU A 1 70 ? 21.173 -15.552 -0.320 1.00 75.52 70 A 1 ATOM 569 C CG . GLU A 1 70 ? 21.220 -16.772 0.624 1.00 69.62 70 A 1 ATOM 570 C CD . GLU A 1 70 ? 20.981 -18.110 -0.092 1.00 63.21 70 A 1 ATOM 571 O OE1 . GLU A 1 70 ? 20.984 -19.137 0.623 1.00 59.05 70 A 1 ATOM 572 O OE2 . GLU A 1 70 ? 20.761 -18.104 -1.325 1.00 66.35 70 A 1 ATOM 573 N N . GLU A 1 71 ? 20.367 -12.614 -1.170 1.00 76.54 71 A 1 ATOM 574 C CA . GLU A 1 71 ? 20.383 -11.451 -2.069 1.00 77.55 71 A 1 ATOM 575 C C . GLU A 1 71 ? 20.766 -10.163 -1.327 1.00 77.93 71 A 1 ATOM 576 O O . GLU A 1 71 ? 21.580 -9.385 -1.828 1.00 77.60 71 A 1 ATOM 577 C CB . GLU A 1 71 ? 19.012 -11.282 -2.736 1.00 75.61 71 A 1 ATOM 578 C CG . GLU A 1 71 ? 18.738 -12.345 -3.818 1.00 71.36 71 A 1 ATOM 579 C CD . GLU A 1 71 ? 17.274 -12.316 -4.302 1.00 67.81 71 A 1 ATOM 580 O OE1 . GLU A 1 71 ? 17.037 -12.541 -5.507 1.00 64.67 71 A 1 ATOM 581 O OE2 . GLU A 1 71 ? 16.383 -12.097 -3.448 1.00 66.43 71 A 1 ATOM 582 N N . LYS A 1 72 ? 20.261 -9.967 -0.105 1.00 81.17 72 A 1 ATOM 583 C CA . LYS A 1 72 ? 20.631 -8.813 0.725 1.00 82.35 72 A 1 ATOM 584 C C . LYS A 1 72 ? 22.120 -8.810 1.078 1.00 84.16 72 A 1 ATOM 585 O O . LYS A 1 72 ? 22.780 -7.789 0.908 1.00 84.76 72 A 1 ATOM 586 C CB . LYS A 1 72 ? 19.788 -8.785 2.008 1.00 80.57 72 A 1 ATOM 587 C CG . LYS A 1 72 ? 18.331 -8.397 1.727 1.00 76.67 72 A 1 ATOM 588 C CD . LYS A 1 72 ? 17.529 -8.476 3.025 1.00 73.54 72 A 1 ATOM 589 C CE . LYS A 1 72 ? 16.065 -8.157 2.734 1.00 69.36 72 A 1 ATOM 590 N NZ . LYS A 1 72 ? 15.230 -8.376 3.944 1.00 61.54 72 A 1 ATOM 591 N N . GLN A 1 73 ? 22.665 -9.946 1.511 1.00 82.09 73 A 1 ATOM 592 C CA . GLN A 1 73 ? 24.090 -10.087 1.829 1.00 81.86 73 A 1 ATOM 593 C C . GLN A 1 73 ? 24.982 -9.867 0.601 1.00 81.36 73 A 1 ATOM 594 O O . GLN A 1 73 ? 26.034 -9.242 0.697 1.00 82.91 73 A 1 ATOM 595 C CB . GLN A 1 73 ? 24.356 -11.483 2.414 1.00 81.97 73 A 1 ATOM 596 C CG . GLN A 1 73 ? 23.807 -11.619 3.843 1.00 73.64 73 A 1 ATOM 597 C CD . GLN A 1 73 ? 23.956 -13.033 4.396 1.00 66.96 73 A 1 ATOM 598 O OE1 . GLN A 1 73 ? 24.709 -13.865 3.923 1.00 65.10 73 A 1 ATOM 599 N NE2 . GLN A 1 73 ? 23.254 -13.361 5.453 1.00 61.92 73 A 1 ATOM 600 N N . LEU A 1 74 ? 24.559 -10.342 -0.574 1.00 80.36 74 A 1 ATOM 601 C CA . LEU A 1 74 ? 25.287 -10.140 -1.818 1.00 79.67 74 A 1 ATOM 602 C C . LEU A 1 74 ? 25.319 -8.661 -2.244 1.00 79.72 74 A 1 ATOM 603 O O . LEU A 1 74 ? 26.348 -8.176 -2.715 1.00 78.11 74 A 1 ATOM 604 C CB . LEU A 1 74 ? 24.659 -11.038 -2.900 1.00 79.38 74 A 1 ATOM 605 C CG . LEU A 1 74 ? 25.415 -11.024 -4.242 1.00 67.88 74 A 1 ATOM 606 C CD1 . LEU A 1 74 ? 26.822 -11.621 -4.107 1.00 61.40 74 A 1 ATOM 607 C CD2 . LEU A 1 74 ? 24.646 -11.848 -5.275 1.00 69.05 74 A 1 ATOM 608 N N . ASP A 1 75 ? 24.225 -7.938 -2.070 1.00 81.91 75 A 1 ATOM 609 C CA . ASP A 1 75 ? 24.151 -6.509 -2.383 1.00 81.31 75 A 1 ATOM 610 C C . ASP A 1 75 ? 24.973 -5.662 -1.406 1.00 81.30 75 A 1 ATOM 611 O O . ASP A 1 75 ? 25.680 -4.747 -1.832 1.00 82.14 75 A 1 ATOM 612 C CB . ASP A 1 75 ? 22.686 -6.060 -2.442 1.00 78.29 75 A 1 ATOM 613 C CG . ASP A 1 75 ? 21.970 -6.455 -3.750 1.00 73.70 75 A 1 ATOM 614 O OD1 . ASP A 1 75 ? 22.662 -6.846 -4.729 1.00 70.80 75 A 1 ATOM 615 O OD2 . ASP A 1 75 ? 20.737 -6.255 -3.790 1.00 71.01 75 A 1 ATOM 616 N N . GLU A 1 76 ? 24.990 -6.005 -0.107 1.00 80.34 76 A 1 ATOM 617 C CA . GLU A 1 76 ? 25.858 -5.386 0.902 1.00 82.09 76 A 1 ATOM 618 C C . GLU A 1 76 ? 27.345 -5.620 0.600 1.00 81.94 76 A 1 ATOM 619 O O . GLU A 1 76 ? 28.137 -4.681 0.596 1.00 82.36 76 A 1 ATOM 620 C CB . GLU A 1 76 ? 25.490 -5.917 2.301 1.00 81.58 76 A 1 ATOM 621 C CG . GLU A 1 76 ? 24.160 -5.332 2.806 1.00 75.89 76 A 1 ATOM 622 C CD . GLU A 1 76 ? 23.667 -5.962 4.133 1.00 72.33 76 A 1 ATOM 623 O OE1 . GLU A 1 76 ? 22.529 -5.621 4.530 1.00 67.46 76 A 1 ATOM 624 O OE2 . GLU A 1 76 ? 24.408 -6.770 4.723 1.00 71.61 76 A 1 ATOM 625 N N . ALA A 1 77 ? 27.732 -6.854 0.239 1.00 86.83 77 A 1 ATOM 626 C CA . ALA A 1 77 ? 29.099 -7.188 -0.148 1.00 87.15 77 A 1 ATOM 627 C C . ALA A 1 77 ? 29.555 -6.437 -1.413 1.00 87.06 77 A 1 ATOM 628 O O . ALA A 1 77 ? 30.684 -5.936 -1.475 1.00 86.19 77 A 1 ATOM 629 C CB . ALA A 1 77 ? 29.195 -8.706 -0.331 1.00 86.03 77 A 1 ATOM 630 N N . LYS A 1 78 ? 28.684 -6.288 -2.414 1.00 83.24 78 A 1 ATOM 631 C CA . LYS A 1 78 ? 28.967 -5.494 -3.621 1.00 81.82 78 A 1 ATOM 632 C C . LYS A 1 78 ? 29.115 -3.997 -3.316 1.00 81.87 78 A 1 ATOM 633 O O . LYS A 1 78 ? 29.935 -3.334 -3.950 1.00 83.79 78 A 1 ATOM 634 C CB . LYS A 1 78 ? 27.837 -5.681 -4.644 1.00 80.98 78 A 1 ATOM 635 C CG . LYS A 1 78 ? 27.896 -7.024 -5.380 1.00 74.75 78 A 1 ATOM 636 C CD . LYS A 1 78 ? 26.601 -7.177 -6.178 1.00 69.72 78 A 1 ATOM 637 C CE . LYS A 1 78 ? 26.502 -8.543 -6.853 1.00 64.70 78 A 1 ATOM 638 N NZ . LYS A 1 78 ? 25.115 -8.771 -7.331 1.00 55.96 78 A 1 ATOM 639 N N . ALA A 1 79 ? 28.327 -3.467 -2.384 1.00 84.63 79 A 1 ATOM 640 C CA . ALA A 1 79 ? 28.436 -2.078 -1.953 1.00 85.80 79 A 1 ATOM 641 C C . ALA A 1 79 ? 29.769 -1.818 -1.238 1.00 87.80 79 A 1 ATOM 642 O O . ALA A 1 79 ? 30.452 -0.851 -1.564 1.00 86.08 79 A 1 ATOM 643 C CB . ALA A 1 79 ? 27.221 -1.729 -1.085 1.00 83.30 79 A 1 ATOM 644 N N . LEU A 1 80 ? 30.193 -2.729 -0.342 1.00 83.82 80 A 1 ATOM 645 C CA . LEU A 1 80 ? 31.485 -2.669 0.340 1.00 85.24 80 A 1 ATOM 646 C C . LEU A 1 80 ? 32.666 -2.752 -0.638 1.00 84.41 80 A 1 ATOM 647 O O . LEU A 1 80 ? 33.608 -1.961 -0.553 1.00 85.67 80 A 1 ATOM 648 C CB . LEU A 1 80 ? 31.574 -3.799 1.395 1.00 87.43 80 A 1 ATOM 649 C CG . LEU A 1 80 ? 31.909 -3.279 2.807 1.00 75.51 80 A 1 ATOM 650 C CD1 . LEU A 1 80 ? 30.612 -2.867 3.533 1.00 71.03 80 A 1 ATOM 651 C CD2 . LEU A 1 80 ? 32.595 -4.354 3.623 1.00 76.51 80 A 1 ATOM 652 N N . ALA A 1 81 ? 32.618 -3.667 -1.606 1.00 84.41 81 A 1 ATOM 653 C CA . ALA A 1 81 ? 33.672 -3.809 -2.609 1.00 84.23 81 A 1 ATOM 654 C C . ALA A 1 81 ? 33.842 -2.538 -3.473 1.00 83.28 81 A 1 ATOM 655 O O . ALA A 1 81 ? 34.962 -2.147 -3.783 1.00 82.54 81 A 1 ATOM 656 C CB . ALA A 1 81 ? 33.364 -5.039 -3.471 1.00 84.15 81 A 1 ATOM 657 N N . LYS A 1 82 ? 32.743 -1.857 -3.811 1.00 85.74 82 A 1 ATOM 658 C CA . LYS A 1 82 ? 32.792 -0.594 -4.562 1.00 85.81 82 A 1 ATOM 659 C C . LYS A 1 82 ? 33.383 0.567 -3.764 1.00 84.26 82 A 1 ATOM 660 O O . LYS A 1 82 ? 34.023 1.420 -4.376 1.00 83.84 82 A 1 ATOM 661 C CB . LYS A 1 82 ? 31.394 -0.213 -5.061 1.00 84.52 82 A 1 ATOM 662 C CG . LYS A 1 82 ? 31.033 -0.970 -6.345 1.00 76.24 82 A 1 ATOM 663 C CD . LYS A 1 82 ? 29.639 -0.532 -6.818 1.00 71.47 82 A 1 ATOM 664 C CE . LYS A 1 82 ? 29.297 -1.227 -8.130 1.00 65.78 82 A 1 ATOM 665 N NZ . LYS A 1 82 ? 27.972 -0.784 -8.626 1.00 56.87 82 A 1 ATOM 666 N N . SER A 1 83 ? 33.184 0.615 -2.442 1.00 82.69 83 A 1 ATOM 667 C CA . SER A 1 83 ? 33.808 1.654 -1.613 1.00 82.68 83 A 1 ATOM 668 C C . SER A 1 83 ? 35.315 1.463 -1.452 1.00 81.86 83 A 1 ATOM 669 O O . SER A 1 83 ? 36.031 2.448 -1.336 1.00 79.63 83 A 1 ATOM 670 C CB . SER A 1 83 ? 33.130 1.761 -0.238 1.00 82.36 83 A 1 ATOM 671 O OG . SER A 1 83 ? 33.000 0.524 0.409 1.00 72.32 83 A 1 ATOM 672 N N . THR A 1 84 ? 35.824 0.218 -1.504 1.00 83.18 84 A 1 ATOM 673 C CA . THR A 1 84 ? 37.258 -0.089 -1.331 1.00 83.82 84 A 1 ATOM 674 C C . THR A 1 84 ? 38.095 0.150 -2.603 1.00 81.81 84 A 1 ATOM 675 O O . THR A 1 84 ? 39.305 0.273 -2.526 1.00 78.02 84 A 1 ATOM 676 C CB . THR A 1 84 ? 37.445 -1.531 -0.844 1.00 84.46 84 A 1 ATOM 677 O OG1 . THR A 1 84 ? 36.515 -1.854 0.173 1.00 77.34 84 A 1 ATOM 678 C CG2 . THR A 1 84 ? 38.816 -1.798 -0.226 1.00 75.32 84 A 1 ATOM 679 N N . ILE A 1 85 ? 37.470 0.216 -3.779 1.00 87.30 85 A 1 ATOM 680 C CA . ILE A 1 85 ? 38.169 0.430 -5.067 1.00 86.45 85 A 1 ATOM 681 C C . ILE A 1 85 ? 38.362 1.936 -5.380 1.00 83.54 85 A 1 ATOM 682 O O . ILE A 1 85 ? 39.103 2.285 -6.292 1.00 80.28 85 A 1 ATOM 683 C CB . ILE A 1 85 ? 37.443 -0.363 -6.187 1.00 85.00 85 A 1 ATOM 684 C CG1 . ILE A 1 85 ? 37.549 -1.887 -5.923 1.00 82.21 85 A 1 ATOM 685 C CG2 . ILE A 1 85 ? 37.981 -0.070 -7.593 1.00 79.68 85 A 1 ATOM 686 C CD1 . ILE A 1 85 ? 36.577 -2.742 -6.746 1.00 73.52 85 A 1 ATOM 687 N N . ASN A 1 86 ? 37.719 2.824 -4.631 1.00 83.94 86 A 1 ATOM 688 C CA . ASN A 1 86 ? 37.778 4.279 -4.836 1.00 83.96 86 A 1 ATOM 689 C C . ASN A 1 86 ? 38.657 5.026 -3.798 1.00 79.47 86 A 1 ATOM 690 O O . ASN A 1 86 ? 38.563 6.249 -3.719 1.00 77.89 86 A 1 ATOM 691 C CB . ASN A 1 86 ? 36.345 4.834 -4.902 1.00 82.00 86 A 1 ATOM 692 C CG . ASN A 1 86 ? 35.623 4.613 -6.226 1.00 77.09 86 A 1 ATOM 693 O OD1 . ASN A 1 86 ? 36.175 4.379 -7.282 1.00 71.37 86 A 1 ATOM 694 N ND2 . ASN A 1 86 ? 34.318 4.740 -6.217 1.00 69.51 86 A 1 ATOM 695 N N . GLU A 1 87 ? 39.479 4.297 -3.042 1.00 88.66 87 A 1 ATOM 696 C CA . GLU A 1 87 ? 40.624 4.851 -2.282 1.00 86.27 87 A 1 ATOM 697 C C . GLU A 1 87 ? 41.941 4.556 -3.019 1.00 79.11 87 A 1 ATOM 698 O O . GLU A 1 87 ? 42.819 5.441 -3.020 1.00 72.09 87 A 1 ATOM 699 C CB . GLU A 1 87 ? 40.662 4.297 -0.843 1.00 79.84 87 A 1 ATOM 700 C CG . GLU A 1 87 ? 39.628 4.945 0.097 1.00 70.88 87 A 1 ATOM 701 C CD . GLU A 1 87 ? 39.774 4.516 1.575 1.00 65.99 87 A 1 ATOM 702 O OE1 . GLU A 1 87 ? 39.441 5.334 2.464 1.00 63.50 87 A 1 ATOM 703 O OE2 . GLU A 1 87 ? 40.187 3.357 1.836 1.00 64.96 87 A 1 ATOM 704 O OXT . GLU A 1 87 ? 42.051 3.451 -3.580 1.00 69.72 87 A 1 #