# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb19489 # _entry.id spkb19489 # 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 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 LYS 1 1 n SER 2 1 n LEU 3 1 n PHE 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n GLY 10 1 n MET 11 1 n VAL 12 1 n SER 13 1 n LEU 14 1 n SER 15 1 n ILE 16 1 n CYS 17 # _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 (3.0.0 @ 2025-07-02 23:10:31)" _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 93.17 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A LYS 1 2 80.56 1 1 A SER 2 2 93.04 1 2 A LEU 3 2 92.75 1 3 A PHE 4 2 94.20 1 4 A LEU 5 2 94.63 1 5 A VAL 6 2 96.62 1 6 A LEU 7 2 95.43 1 7 A PHE 8 2 95.19 1 8 A LEU 9 2 95.33 1 9 A GLY 10 2 97.16 1 10 A MET 11 2 92.49 1 11 A VAL 12 2 96.80 1 12 A SER 13 2 96.50 1 13 A LEU 14 2 94.45 1 14 A SER 15 2 94.57 1 15 A ILE 16 2 91.76 1 16 A CYS 17 2 85.95 1 17 # _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 https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use 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 LYS . 1 A 1 A 2 1 n SER . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n CYS . 17 A 17 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _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 . LYS A 1 1 ? -8.465 0.911 12.607 1.00 88.58 1 A 1 ATOM 2 C CA . LYS A 1 1 ? -8.067 2.201 13.188 1.00 88.49 1 A 1 ATOM 3 C C . LYS A 1 1 ? -7.409 3.099 12.142 1.00 87.81 1 A 1 ATOM 4 O O . LYS A 1 1 ? -7.841 4.225 11.917 1.00 83.88 1 A 1 ATOM 5 C CB . LYS A 1 1 ? -7.104 1.986 14.352 1.00 83.29 1 A 1 ATOM 6 C CG . LYS A 1 1 ? -7.790 1.844 15.706 1.00 77.81 1 A 1 ATOM 7 C CD . LYS A 1 1 ? -8.590 0.564 15.813 1.00 75.95 1 A 1 ATOM 8 C CE . LYS A 1 1 ? -9.224 0.436 17.180 1.00 73.47 1 A 1 ATOM 9 N NZ . LYS A 1 1 ? -10.131 -0.721 17.229 1.00 65.80 1 A 1 ATOM 10 N N . SER A 1 2 ? -6.353 2.598 11.505 1.00 93.57 2 A 1 ATOM 11 C CA . SER A 1 2 ? -5.625 3.395 10.516 1.00 95.50 2 A 1 ATOM 12 C C . SER A 1 2 ? -5.188 2.543 9.325 1.00 96.49 2 A 1 ATOM 13 O O . SER A 1 2 ? -4.006 2.265 9.144 1.00 95.06 2 A 1 ATOM 14 C CB . SER A 1 2 ? -4.409 4.043 11.160 1.00 93.22 2 A 1 ATOM 15 O OG . SER A 1 2 ? -3.646 3.100 11.872 1.00 84.41 2 A 1 ATOM 16 N N . LEU A 1 3 ? -6.163 2.123 8.510 1.00 96.11 3 A 1 ATOM 17 C CA . LEU A 1 3 ? -5.885 1.323 7.317 1.00 96.49 3 A 1 ATOM 18 C C . LEU A 1 3 ? -5.161 2.144 6.253 1.00 97.05 3 A 1 ATOM 19 O O . LEU A 1 3 ? -4.512 1.589 5.364 1.00 96.15 3 A 1 ATOM 20 C CB . LEU A 1 3 ? -7.192 0.767 6.748 1.00 95.77 3 A 1 ATOM 21 C CG . LEU A 1 3 ? -7.312 -0.750 6.785 1.00 90.19 3 A 1 ATOM 22 C CD1 . LEU A 1 3 ? -8.772 -1.173 6.709 1.00 85.22 3 A 1 ATOM 23 C CD2 . LEU A 1 3 ? -6.522 -1.379 5.655 1.00 85.06 3 A 1 ATOM 24 N N . PHE A 1 4 ? -5.282 3.458 6.350 1.00 96.82 4 A 1 ATOM 25 C CA . PHE A 1 4 ? -4.625 4.368 5.416 1.00 96.83 4 A 1 ATOM 26 C C . PHE A 1 4 ? -3.115 4.165 5.404 1.00 97.13 4 A 1 ATOM 27 O O . PHE A 1 4 ? -2.473 4.304 4.364 1.00 96.52 4 A 1 ATOM 28 C CB . PHE A 1 4 ? -4.943 5.817 5.781 1.00 96.19 4 A 1 ATOM 29 C CG . PHE A 1 4 ? -5.892 6.472 4.810 1.00 94.08 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? -5.423 6.995 3.617 1.00 91.26 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? -7.243 6.551 5.102 1.00 92.03 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? -6.288 7.597 2.719 1.00 91.53 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? -8.118 7.148 4.208 1.00 91.81 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? -7.641 7.674 3.019 1.00 91.98 4 A 1 ATOM 35 N N . LEU A 1 5 ? -2.553 3.823 6.551 1.00 97.37 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -1.114 3.607 6.666 1.00 97.35 5 A 1 ATOM 37 C C . LEU A 1 5 ? -0.668 2.394 5.856 1.00 97.70 5 A 1 ATOM 38 O O . LEU A 1 5 ? 0.429 2.385 5.296 1.00 97.55 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -0.725 3.422 8.131 1.00 96.98 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -0.764 4.694 8.976 1.00 91.47 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -0.834 4.343 10.451 1.00 88.61 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? 0.467 5.544 8.695 1.00 90.02 5 A 1 ATOM 43 N N . VAL A 1 6 ? -1.529 1.370 5.797 1.00 97.89 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -1.224 0.150 5.058 1.00 97.62 6 A 1 ATOM 45 C C . VAL A 1 6 ? -1.242 0.396 3.557 1.00 97.67 6 A 1 ATOM 46 O O . VAL A 1 6 ? -0.298 0.029 2.850 1.00 97.13 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -2.211 -0.978 5.413 1.00 96.93 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -1.823 -2.274 4.719 1.00 94.62 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -2.264 -1.190 6.917 1.00 94.51 6 A 1 ATOM 50 N N . LEU A 1 7 ? -2.327 0.998 3.072 1.00 97.69 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -2.453 1.280 1.646 1.00 97.69 7 A 1 ATOM 52 C C . LEU A 1 7 ? -1.448 2.331 1.186 1.00 97.83 7 A 1 ATOM 53 O O . LEU A 1 7 ? -1.062 2.359 0.013 1.00 97.79 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -3.884 1.717 1.307 1.00 97.64 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -4.423 2.896 2.109 1.00 93.22 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -4.241 4.195 1.328 1.00 90.21 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -5.891 2.675 2.418 1.00 91.38 7 A 1 ATOM 58 N N . PHE A 1 8 ? -1.027 3.183 2.101 1.00 97.43 8 A 1 ATOM 59 C CA . PHE A 1 8 ? -0.044 4.222 1.794 1.00 97.14 8 A 1 ATOM 60 C C . PHE A 1 8 ? 1.295 3.591 1.434 1.00 97.28 8 A 1 ATOM 61 O O . PHE A 1 8 ? 1.960 4.016 0.489 1.00 96.96 8 A 1 ATOM 62 C CB . PHE A 1 8 ? 0.125 5.163 2.986 1.00 96.85 8 A 1 ATOM 63 C CG . PHE A 1 8 ? 1.020 6.342 2.701 1.00 95.57 8 A 1 ATOM 64 C CD1 . PHE A 1 8 ? 0.562 7.402 1.935 1.00 92.66 8 A 1 ATOM 65 C CD2 . PHE A 1 8 ? 2.314 6.371 3.194 1.00 93.63 8 A 1 ATOM 66 C CE1 . PHE A 1 8 ? 1.383 8.486 1.665 1.00 92.84 8 A 1 ATOM 67 C CE2 . PHE A 1 8 ? 3.144 7.455 2.922 1.00 93.11 8 A 1 ATOM 68 C CZ . PHE A 1 8 ? 2.681 8.511 2.158 1.00 93.61 8 A 1 ATOM 69 N N . LEU A 1 9 ? 1.679 2.560 2.180 1.00 97.86 9 A 1 ATOM 70 C CA . LEU A 1 9 ? 2.933 1.856 1.934 1.00 97.69 9 A 1 ATOM 71 C C . LEU A 1 9 ? 2.867 1.053 0.642 1.00 97.98 9 A 1 ATOM 72 O O . LEU A 1 9 ? 3.883 0.867 -0.031 1.00 97.80 9 A 1 ATOM 73 C CB . LEU A 1 9 ? 3.244 0.931 3.111 1.00 97.27 9 A 1 ATOM 74 C CG . LEU A 1 9 ? 3.992 1.598 4.259 1.00 92.55 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? 3.723 0.865 5.563 1.00 90.19 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? 5.478 1.630 3.967 1.00 91.30 9 A 1 ATOM 77 N N . GLY A 1 10 ? 1.668 0.575 0.301 1.00 97.16 10 A 1 ATOM 78 C CA . GLY A 1 10 ? 1.466 -0.190 -0.924 1.00 97.11 10 A 1 ATOM 79 C C . GLY A 1 10 ? 1.751 0.630 -2.164 1.00 97.51 10 A 1 ATOM 80 O O . GLY A 1 10 ? 2.341 0.136 -3.124 1.00 96.86 10 A 1 ATOM 81 N N . MET A 1 11 ? 1.330 1.881 -2.155 1.00 97.02 11 A 1 ATOM 82 C CA . MET A 1 11 ? 1.551 2.783 -3.285 1.00 97.06 11 A 1 ATOM 83 C C . MET A 1 11 ? 3.029 3.139 -3.439 1.00 97.45 11 A 1 ATOM 84 O O . MET A 1 11 ? 3.540 3.221 -4.554 1.00 96.42 11 A 1 ATOM 85 C CB . MET A 1 11 ? 0.725 4.058 -3.110 1.00 95.99 11 A 1 ATOM 86 C CG . MET A 1 11 ? -0.742 3.860 -3.403 1.00 92.38 11 A 1 ATOM 87 S SD . MET A 1 11 ? -1.640 5.407 -3.566 1.00 85.81 11 A 1 ATOM 88 C CE . MET A 1 11 ? -1.894 5.820 -1.855 1.00 77.77 11 A 1 ATOM 89 N N . VAL A 1 12 ? 3.691 3.343 -2.321 1.00 98.13 12 A 1 ATOM 90 C CA . VAL A 1 12 ? 5.112 3.694 -2.327 1.00 97.95 12 A 1 ATOM 91 C C . VAL A 1 12 ? 5.963 2.514 -2.781 1.00 98.09 12 A 1 ATOM 92 O O . VAL A 1 12 ? 6.911 2.683 -3.551 1.00 97.58 12 A 1 ATOM 93 C CB . VAL A 1 12 ? 5.572 4.170 -0.935 1.00 97.23 12 A 1 ATOM 94 C CG1 . VAL A 1 12 ? 7.040 4.572 -0.962 1.00 94.15 12 A 1 ATOM 95 C CG2 . VAL A 1 12 ? 4.725 5.331 -0.451 1.00 94.46 12 A 1 ATOM 96 N N . SER A 1 13 ? 5.613 1.318 -2.321 1.00 97.83 13 A 1 ATOM 97 C CA . SER A 1 13 ? 6.355 0.107 -2.666 1.00 97.95 13 A 1 ATOM 98 C C . SER A 1 13 ? 6.274 -0.199 -4.159 1.00 97.96 13 A 1 ATOM 99 O O . SER A 1 13 ? 7.220 -0.728 -4.741 1.00 97.24 13 A 1 ATOM 100 C CB . SER A 1 13 ? 5.824 -1.082 -1.865 1.00 97.55 13 A 1 ATOM 101 O OG . SER A 1 13 ? 4.496 -1.377 -2.201 1.00 90.48 13 A 1 ATOM 102 N N . LEU A 1 14 ? 5.154 0.141 -4.784 1.00 97.84 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 4.960 -0.086 -6.213 1.00 97.53 14 A 1 ATOM 104 C C . LEU A 1 14 ? 5.918 0.754 -7.049 1.00 97.64 14 A 1 ATOM 105 O O . LEU A 1 14 ? 6.374 0.311 -8.109 1.00 96.87 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 3.512 0.224 -6.596 1.00 97.00 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 2.538 -0.931 -6.383 1.00 92.40 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 1.111 -0.418 -6.323 1.00 87.87 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 2.690 -1.957 -7.496 1.00 88.45 14 A 1 ATOM 110 N N . SER A 1 15 ? 6.212 1.950 -6.588 1.00 96.93 15 A 1 ATOM 111 C CA . SER A 1 15 ? 7.124 2.848 -7.294 1.00 97.11 15 A 1 ATOM 112 C C . SER A 1 15 ? 8.590 2.476 -7.068 1.00 96.98 15 A 1 ATOM 113 O O . SER A 1 15 ? 9.450 2.800 -7.890 1.00 95.05 15 A 1 ATOM 114 C CB . SER A 1 15 ? 6.885 4.293 -6.859 1.00 95.99 15 A 1 ATOM 115 O OG . SER A 1 15 ? 7.272 4.502 -5.527 1.00 85.33 15 A 1 ATOM 116 N N . ILE A 1 16 ? 8.859 1.790 -5.966 1.00 96.24 16 A 1 ATOM 117 C CA . ILE A 1 16 ? 10.220 1.373 -5.618 1.00 95.36 16 A 1 ATOM 118 C C . ILE A 1 16 ? 10.318 -0.135 -5.405 1.00 94.80 16 A 1 ATOM 119 O O . ILE A 1 16 ? 11.181 -0.616 -4.666 1.00 93.02 16 A 1 ATOM 120 C CB . ILE A 1 16 ? 10.723 2.106 -4.356 1.00 93.83 16 A 1 ATOM 121 C CG1 . ILE A 1 16 ? 9.750 1.924 -3.192 1.00 90.01 16 A 1 ATOM 122 C CG2 . ILE A 1 16 ? 10.940 3.579 -4.655 1.00 87.86 16 A 1 ATOM 123 C CD1 . ILE A 1 16 ? 10.387 2.007 -1.830 1.00 82.95 16 A 1 ATOM 124 N N . CYS A 1 17 ? 9.417 -0.884 -6.074 1.00 94.19 17 A 1 ATOM 125 C CA . CYS A 1 17 ? 9.363 -2.336 -5.923 1.00 91.91 17 A 1 ATOM 126 C C . CYS A 1 17 ? 10.547 -2.999 -6.628 1.00 90.47 17 A 1 ATOM 127 O O . CYS A 1 17 ? 10.401 -3.456 -7.769 1.00 86.70 17 A 1 ATOM 128 C CB . CYS A 1 17 ? 8.048 -2.897 -6.459 1.00 85.95 17 A 1 ATOM 129 S SG . CYS A 1 17 ? 7.681 -4.560 -5.865 1.00 77.29 17 A 1 ATOM 130 O OXT . CYS A 1 17 ? 11.661 -3.025 -6.040 1.00 75.11 17 A 1 #