# 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_spkb25610 # _entry.id spkb25610 # 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](C(=O)O)N ? "L-PEPTIDE LINKING" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 MET 1 1 n TYR 2 1 n LEU 3 1 n VAL 4 1 n ALA 5 1 n PHE 6 1 n MET 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n ILE 11 1 n LEU 12 1 n PRO 13 1 n THR 14 1 n GLY 15 1 n TYR 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 @ 2025-07-06 07:35:18)" _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 89.53 _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 MET 1 2 87.93 1 1 A TYR 2 2 90.41 1 2 A LEU 3 2 92.31 1 3 A VAL 4 2 96.03 1 4 A ALA 5 2 95.66 1 5 A PHE 6 2 92.14 1 6 A MET 7 2 90.54 1 7 A LEU 8 2 92.28 1 8 A LEU 9 2 92.46 1 9 A ALA 10 2 95.52 1 10 A ILE 11 2 93.03 1 11 A LEU 12 2 89.78 1 12 A PRO 13 2 91.47 1 13 A THR 14 2 86.57 1 14 A GLY 15 2 87.92 1 15 A TYR 16 2 79.00 1 16 A CYS 17 2 75.41 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 MET . 1 A 1 A 2 1 n TYR . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n TYR . 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 . MET A 1 1 ? -4.254 11.391 9.289 1.00 92.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.947 10.997 8.736 1.00 94.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.750 9.484 8.812 1.00 94.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.645 8.981 8.643 1.00 92.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.829 11.701 9.507 1.00 89.93 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.859 13.210 9.298 1.00 83.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.543 14.043 10.194 1.00 82.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.821 15.730 9.658 1.00 73.80 1 A 1 ATOM 9 N N . TYR A 1 2 ? -3.827 8.789 9.062 1.00 94.64 2 A 1 ATOM 10 C CA . TYR A 1 2 ? -3.788 7.327 9.152 1.00 95.29 2 A 1 ATOM 11 C C . TYR A 1 2 ? -3.733 6.685 7.765 1.00 95.89 2 A 1 ATOM 12 O O . TYR A 1 2 ? -3.251 5.570 7.605 1.00 95.12 2 A 1 ATOM 13 C CB . TYR A 1 2 ? -5.015 6.833 9.911 1.00 93.84 2 A 1 ATOM 14 C CG . TYR A 1 2 ? -6.247 7.668 9.622 1.00 90.03 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? -6.990 7.464 8.469 1.00 88.31 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? -6.645 8.659 10.516 1.00 87.19 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? -8.115 8.233 8.209 1.00 86.62 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? -7.772 9.432 10.256 1.00 85.95 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? -8.503 9.212 9.102 1.00 86.90 2 A 1 ATOM 20 O OH . TYR A 1 2 ? -9.616 9.971 8.844 1.00 85.15 2 A 1 ATOM 21 N N . LEU A 1 3 ? -4.218 7.399 6.765 1.00 95.59 3 A 1 ATOM 22 C CA . LEU A 1 3 ? -4.225 6.891 5.392 1.00 95.91 3 A 1 ATOM 23 C C . LEU A 1 3 ? -2.803 6.704 4.871 1.00 96.56 3 A 1 ATOM 24 O O . LEU A 1 3 ? -2.534 5.794 4.087 1.00 96.42 3 A 1 ATOM 25 C CB . LEU A 1 3 ? -4.985 7.864 4.489 1.00 95.45 3 A 1 ATOM 26 C CG . LEU A 1 3 ? -6.482 7.917 4.755 1.00 88.31 3 A 1 ATOM 27 C CD1 . LEU A 1 3 ? -7.109 9.070 3.987 1.00 85.33 3 A 1 ATOM 28 C CD2 . LEU A 1 3 ? -7.137 6.602 4.354 1.00 84.90 3 A 1 ATOM 29 N N . VAL A 1 4 ? -1.914 7.564 5.300 1.00 97.15 4 A 1 ATOM 30 C CA . VAL A 1 4 ? -0.512 7.488 4.878 1.00 97.08 4 A 1 ATOM 31 C C . VAL A 1 4 ? 0.118 6.184 5.355 1.00 97.02 4 A 1 ATOM 32 O O . VAL A 1 4 ? 0.823 5.508 4.602 1.00 96.61 4 A 1 ATOM 33 C CB . VAL A 1 4 ? 0.293 8.680 5.422 1.00 96.64 4 A 1 ATOM 34 C CG1 . VAL A 1 4 ? 1.739 8.612 4.948 1.00 93.79 4 A 1 ATOM 35 C CG2 . VAL A 1 4 ? -0.341 9.991 4.979 1.00 93.94 4 A 1 ATOM 36 N N . ALA A 1 5 ? -0.136 5.847 6.598 1.00 96.27 5 A 1 ATOM 37 C CA . ALA A 1 5 ? 0.407 4.617 7.174 1.00 95.72 5 A 1 ATOM 38 C C . ALA A 1 5 ? -0.182 3.392 6.484 1.00 96.08 5 A 1 ATOM 39 O O . ALA A 1 5 ? 0.515 2.410 6.236 1.00 95.34 5 A 1 ATOM 40 C CB . ALA A 1 5 ? 0.112 4.572 8.668 1.00 94.87 5 A 1 ATOM 41 N N . PHE A 1 6 ? -1.465 3.470 6.176 1.00 94.74 6 A 1 ATOM 42 C CA . PHE A 1 6 ? -2.154 2.369 5.506 1.00 94.67 6 A 1 ATOM 43 C C . PHE A 1 6 ? -1.584 2.157 4.109 1.00 95.52 6 A 1 ATOM 44 O O . PHE A 1 6 ? -1.425 1.025 3.651 1.00 95.15 6 A 1 ATOM 45 C CB . PHE A 1 6 ? -3.647 2.681 5.422 1.00 94.31 6 A 1 ATOM 46 C CG . PHE A 1 6 ? -4.439 1.517 4.893 1.00 92.84 6 A 1 ATOM 47 C CD1 . PHE A 1 6 ? -4.789 0.470 5.732 1.00 89.74 6 A 1 ATOM 48 C CD2 . PHE A 1 6 ? -4.828 1.478 3.564 1.00 90.03 6 A 1 ATOM 49 C CE1 . PHE A 1 6 ? -5.517 -0.606 5.251 1.00 89.12 6 A 1 ATOM 50 C CE2 . PHE A 1 6 ? -5.554 0.400 3.074 1.00 88.75 6 A 1 ATOM 51 C CZ . PHE A 1 6 ? -5.900 -0.642 3.918 1.00 88.72 6 A 1 ATOM 52 N N . MET A 1 7 ? -1.274 3.240 3.441 1.00 94.63 7 A 1 ATOM 53 C CA . MET A 1 7 ? -0.718 3.175 2.086 1.00 94.71 7 A 1 ATOM 54 C C . MET A 1 7 ? 0.652 2.499 2.099 1.00 95.60 7 A 1 ATOM 55 O O . MET A 1 7 ? 1.010 1.781 1.172 1.00 95.36 7 A 1 ATOM 56 C CB . MET A 1 7 ? -0.602 4.584 1.510 1.00 94.67 7 A 1 ATOM 57 C CG . MET A 1 7 ? -0.648 4.593 -0.009 1.00 90.39 7 A 1 ATOM 58 S SD . MET A 1 7 ? -0.734 6.255 -0.684 1.00 83.74 7 A 1 ATOM 59 C CE . MET A 1 7 ? -0.989 5.883 -2.419 1.00 75.19 7 A 1 ATOM 60 N N . LEU A 1 8 ? 1.394 2.740 3.157 1.00 94.63 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 2.722 2.145 3.301 1.00 94.59 8 A 1 ATOM 62 C C . LEU A 1 8 ? 2.614 0.634 3.481 1.00 95.36 8 A 1 ATOM 63 O O . LEU A 1 8 ? 3.458 -0.118 2.994 1.00 95.25 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 3.436 2.763 4.505 1.00 94.23 8 A 1 ATOM 65 C CG . LEU A 1 8 ? 4.921 2.409 4.586 1.00 88.73 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 5.700 3.140 3.496 1.00 87.57 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? 5.485 2.776 5.950 1.00 87.86 8 A 1 ATOM 68 N N . LEU A 1 9 ? 1.575 0.203 4.168 1.00 95.38 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 1.342 -1.220 4.402 1.00 95.06 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.727 -1.883 3.178 1.00 95.68 9 A 1 ATOM 71 O O . LEU A 1 9 ? 0.819 -3.098 3.006 1.00 95.11 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 0.424 -1.402 5.610 1.00 94.53 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 1.165 -1.487 6.942 1.00 88.84 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 1.771 -0.139 7.314 1.00 87.51 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 0.225 -1.959 8.042 1.00 87.58 9 A 1 ATOM 76 N N . ALA A 1 10 ? 0.110 -1.084 2.327 1.00 95.95 10 A 1 ATOM 77 C CA . ALA A 1 10 ? -0.543 -1.585 1.123 1.00 95.77 10 A 1 ATOM 78 C C . ALA A 1 10 ? 0.471 -2.000 0.061 1.00 96.25 10 A 1 ATOM 79 O O . ALA A 1 10 ? 0.109 -2.576 -0.961 1.00 94.74 10 A 1 ATOM 80 C CB . ALA A 1 10 ? -1.480 -0.518 0.565 1.00 94.91 10 A 1 ATOM 81 N N . ILE A 1 11 ? 1.733 -1.720 0.292 1.00 95.71 11 A 1 ATOM 82 C CA . ILE A 1 11 ? 2.783 -2.064 -0.661 1.00 95.05 11 A 1 ATOM 83 C C . ILE A 1 11 ? 2.920 -3.575 -0.810 1.00 95.47 11 A 1 ATOM 84 O O . ILE A 1 11 ? 3.338 -4.067 -1.857 1.00 94.26 11 A 1 ATOM 85 C CB . ILE A 1 11 ? 4.135 -1.475 -0.222 1.00 94.33 11 A 1 ATOM 86 C CG1 . ILE A 1 11 ? 4.496 -1.942 1.189 1.00 91.47 11 A 1 ATOM 87 C CG2 . ILE A 1 11 ? 4.083 0.045 -0.299 1.00 90.84 11 A 1 ATOM 88 C CD1 . ILE A 1 11 ? 5.910 -1.582 1.593 1.00 87.07 11 A 1 ATOM 89 N N . LEU A 1 12 ? 2.571 -4.294 0.226 1.00 93.82 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 2.659 -5.750 0.211 1.00 93.22 12 A 1 ATOM 91 C C . LEU A 1 12 ? 1.713 -6.357 -0.824 1.00 94.00 12 A 1 ATOM 92 O O . LEU A 1 12 ? 2.163 -7.092 -1.708 1.00 92.41 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 2.358 -6.303 1.604 1.00 91.93 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 3.412 -5.953 2.649 1.00 87.25 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 2.888 -6.262 4.043 1.00 82.85 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 4.696 -6.718 2.386 1.00 82.75 12 A 1 ATOM 97 N N . PRO A 1 13 ? 0.415 -6.069 -0.731 1.00 93.40 13 A 1 ATOM 98 C CA . PRO A 1 13 ? -0.554 -6.616 -1.688 1.00 92.89 13 A 1 ATOM 99 C C . PRO A 1 13 ? -0.419 -6.003 -3.072 1.00 93.28 13 A 1 ATOM 100 O O . PRO A 1 13 ? -0.731 -6.650 -4.071 1.00 90.10 13 A 1 ATOM 101 C CB . PRO A 1 13 ? -1.908 -6.264 -1.063 1.00 90.71 13 A 1 ATOM 102 C CG . PRO A 1 13 ? -1.621 -5.076 -0.210 1.00 88.43 13 A 1 ATOM 103 C CD . PRO A 1 13 ? -0.223 -5.271 0.306 1.00 91.47 13 A 1 ATOM 104 N N . THR A 1 14 ? 0.039 -4.767 -3.133 1.00 90.87 14 A 1 ATOM 105 C CA . THR A 1 14 ? 0.197 -4.072 -4.410 1.00 89.99 14 A 1 ATOM 106 C C . THR A 1 14 ? 1.334 -4.675 -5.226 1.00 90.50 14 A 1 ATOM 107 O O . THR A 1 14 ? 1.216 -4.848 -6.438 1.00 84.72 14 A 1 ATOM 108 C CB . THR A 1 14 ? 0.473 -2.582 -4.184 1.00 87.86 14 A 1 ATOM 109 O OG1 . THR A 1 14 ? -0.578 -2.017 -3.405 1.00 81.90 14 A 1 ATOM 110 C CG2 . THR A 1 14 ? 0.550 -1.847 -5.506 1.00 80.17 14 A 1 ATOM 111 N N . GLY A 1 15 ? 2.433 -4.982 -4.569 1.00 89.68 15 A 1 ATOM 112 C CA . GLY A 1 15 ? 3.589 -5.562 -5.245 1.00 87.77 15 A 1 ATOM 113 C C . GLY A 1 15 ? 3.469 -7.062 -5.431 1.00 88.43 15 A 1 ATOM 114 O O . GLY A 1 15 ? 4.238 -7.664 -6.171 1.00 85.82 15 A 1 ATOM 115 N N . TYR A 1 16 ? 2.509 -7.663 -4.760 1.00 87.55 16 A 1 ATOM 116 C CA . TYR A 1 16 ? 2.291 -9.110 -4.848 1.00 84.05 16 A 1 ATOM 117 C C . TYR A 1 16 ? 1.955 -9.526 -6.275 1.00 83.89 16 A 1 ATOM 118 O O . TYR A 1 16 ? 2.575 -10.431 -6.828 1.00 78.52 16 A 1 ATOM 119 C CB . TYR A 1 16 ? 1.151 -9.515 -3.913 1.00 81.72 16 A 1 ATOM 120 C CG . TYR A 1 16 ? 1.074 -11.007 -3.721 1.00 78.62 16 A 1 ATOM 121 C CD1 . TYR A 1 16 ? 1.992 -11.665 -2.915 1.00 77.02 16 A 1 ATOM 122 C CD2 . TYR A 1 16 ? 0.085 -11.751 -4.351 1.00 76.89 16 A 1 ATOM 123 C CE1 . TYR A 1 16 ? 1.926 -13.035 -2.735 1.00 74.89 16 A 1 ATOM 124 C CE2 . TYR A 1 16 ? 0.015 -13.125 -4.177 1.00 74.89 16 A 1 ATOM 125 C CZ . TYR A 1 16 ? 0.935 -13.761 -3.368 1.00 75.78 16 A 1 ATOM 126 O OH . TYR A 1 16 ? 0.866 -15.119 -3.197 1.00 74.17 16 A 1 ATOM 127 N N . CYS A 1 17 ? 0.972 -8.860 -6.885 1.00 86.22 17 A 1 ATOM 128 C CA . CYS A 1 17 ? 0.553 -9.145 -8.265 1.00 81.75 17 A 1 ATOM 129 C C . CYS A 1 17 ? 0.028 -10.570 -8.406 1.00 77.83 17 A 1 ATOM 130 O O . CYS A 1 17 ? -1.001 -10.757 -9.068 1.00 73.03 17 A 1 ATOM 131 C CB . CYS A 1 17 ? 1.716 -8.927 -9.239 1.00 75.29 17 A 1 ATOM 132 S SG . CYS A 1 17 ? 2.087 -7.190 -9.528 1.00 68.13 17 A 1 ATOM 133 O OXT . CYS A 1 17 ? 0.655 -11.492 -7.861 1.00 65.61 17 A 1 #