# 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_spkb26980 # _entry.id spkb26980 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)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 LYS 2 1 n PHE 3 1 n SER 4 1 n THR 5 1 n ILE 6 1 n LEU 7 1 n PRO 8 1 n ILE 9 1 n LEU 10 1 n TRP 11 1 n ALA 12 1 n ASN 13 1 n CYS 14 1 n CYS 15 1 n LEU 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 @ 2025-07-11 17:49:41)" _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 92.21 _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 79.89 1 1 A LYS 2 2 84.54 1 2 A PHE 3 2 86.52 1 3 A SER 4 2 93.08 1 4 A THR 5 2 91.68 1 5 A ILE 6 2 93.66 1 6 A LEU 7 2 93.21 1 7 A PRO 8 2 95.47 1 8 A ILE 9 2 95.83 1 9 A LEU 10 2 95.41 1 10 A TRP 11 2 94.23 1 11 A ALA 12 2 97.20 1 12 A ASN 13 2 94.41 1 13 A CYS 14 2 96.33 1 14 A CYS 15 2 96.17 1 15 A LEU 16 2 94.18 1 16 A CYS 17 2 91.69 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n LEU . 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 ? -4.240 -8.377 6.214 1.00 84.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.042 -7.723 7.238 1.00 86.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.002 -6.726 6.605 1.00 88.73 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.599 -5.627 6.248 1.00 84.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.168 -6.973 8.233 1.00 81.72 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.509 -7.882 9.241 1.00 76.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.614 -6.948 10.479 1.00 72.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.164 -8.253 11.593 1.00 64.04 1 A 1 ATOM 9 N N . LYS A 1 2 ? -7.241 -7.139 6.479 1.00 91.19 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -8.280 -6.278 5.919 1.00 92.41 2 A 1 ATOM 11 C C . LYS A 1 2 ? -7.870 -5.689 4.571 1.00 93.07 2 A 1 ATOM 12 O O . LYS A 1 2 ? -6.854 -5.021 4.456 1.00 92.36 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -8.617 -5.150 6.880 1.00 89.81 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -9.650 -5.522 7.926 1.00 82.18 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -11.027 -5.665 7.300 1.00 80.37 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -12.081 -6.017 8.324 1.00 73.40 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.408 -6.213 7.703 1.00 66.07 2 A 1 ATOM 18 N N . PHE A 1 3 ? -8.662 -5.948 3.562 1.00 91.95 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -8.358 -5.428 2.239 1.00 92.91 3 A 1 ATOM 20 C C . PHE A 1 3 ? -8.298 -3.907 2.262 1.00 94.64 3 A 1 ATOM 21 O O . PHE A 1 3 ? -7.626 -3.285 1.444 1.00 93.60 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -9.414 -5.896 1.247 1.00 91.60 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -8.838 -6.146 -0.117 1.00 86.40 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -8.742 -5.119 -1.036 1.00 82.71 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -8.384 -7.404 -0.464 1.00 81.56 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -8.203 -5.343 -2.286 1.00 79.67 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -7.844 -7.637 -1.712 1.00 79.97 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -7.755 -6.602 -2.623 1.00 76.72 3 A 1 ATOM 29 N N . SER A 1 4 ? -8.993 -3.338 3.224 1.00 94.93 4 A 1 ATOM 30 C CA . SER A 1 4 ? -9.004 -1.888 3.395 1.00 95.46 4 A 1 ATOM 31 C C . SER A 1 4 ? -7.677 -1.384 3.943 1.00 96.23 4 A 1 ATOM 32 O O . SER A 1 4 ? -7.394 -0.193 3.908 1.00 94.99 4 A 1 ATOM 33 C CB . SER A 1 4 ? -10.133 -1.469 4.328 1.00 93.91 4 A 1 ATOM 34 O OG . SER A 1 4 ? -11.385 -1.854 3.801 1.00 82.94 4 A 1 ATOM 35 N N . THR A 1 5 ? -6.868 -2.299 4.454 1.00 93.75 5 A 1 ATOM 36 C CA . THR A 1 5 ? -5.556 -1.947 4.982 1.00 94.78 5 A 1 ATOM 37 C C . THR A 1 5 ? -4.489 -2.113 3.912 1.00 95.61 5 A 1 ATOM 38 O O . THR A 1 5 ? -3.509 -1.371 3.865 1.00 94.46 5 A 1 ATOM 39 C CB . THR A 1 5 ? -5.199 -2.822 6.190 1.00 93.69 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -6.236 -2.744 7.166 1.00 85.55 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -3.892 -2.380 6.812 1.00 83.95 5 A 1 ATOM 42 N N . ILE A 1 6 ? -4.670 -3.098 3.062 1.00 96.31 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -3.725 -3.360 1.988 1.00 95.91 6 A 1 ATOM 44 C C . ILE A 1 6 ? -3.774 -2.257 0.939 1.00 96.28 6 A 1 ATOM 45 O O . ILE A 1 6 ? -2.760 -1.913 0.334 1.00 95.67 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -4.005 -4.719 1.328 1.00 95.79 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -3.924 -5.836 2.367 1.00 91.79 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -3.018 -4.976 0.199 1.00 91.03 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -4.285 -7.195 1.812 1.00 86.46 6 A 1 ATOM 50 N N . LEU A 1 7 ? -4.947 -1.723 0.748 1.00 95.95 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -5.127 -0.651 -0.222 1.00 95.73 7 A 1 ATOM 52 C C . LEU A 1 7 ? -4.274 0.577 0.108 1.00 96.29 7 A 1 ATOM 53 O O . LEU A 1 7 ? -3.506 1.037 -0.739 1.00 96.08 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -6.604 -0.269 -0.318 1.00 95.03 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -7.439 -1.176 -1.218 1.00 91.11 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -8.914 -0.816 -1.110 1.00 87.30 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -6.977 -1.064 -2.661 1.00 88.18 7 A 1 ATOM 58 N N . PRO A 1 8 ? -4.395 1.106 1.318 1.00 96.00 8 A 1 ATOM 59 C CA . PRO A 1 8 ? -3.600 2.281 1.705 1.00 96.15 8 A 1 ATOM 60 C C . PRO A 1 8 ? -2.110 1.989 1.699 1.00 96.84 8 A 1 ATOM 61 O O . PRO A 1 8 ? -1.306 2.837 1.319 1.00 96.07 8 A 1 ATOM 62 C CB . PRO A 1 8 ? -4.076 2.594 3.127 1.00 94.82 8 A 1 ATOM 63 C CG . PRO A 1 8 ? -5.393 1.922 3.252 1.00 93.26 8 A 1 ATOM 64 C CD . PRO A 1 8 ? -5.304 0.704 2.384 1.00 95.13 8 A 1 ATOM 65 N N . ILE A 1 9 ? -1.743 0.784 2.127 1.00 96.86 9 A 1 ATOM 66 C CA . ILE A 1 9 ? -0.342 0.388 2.171 1.00 96.81 9 A 1 ATOM 67 C C . ILE A 1 9 ? 0.222 0.275 0.762 1.00 97.08 9 A 1 ATOM 68 O O . ILE A 1 9 ? 1.337 0.723 0.486 1.00 96.62 9 A 1 ATOM 69 C CB . ILE A 1 9 ? -0.169 -0.947 2.919 1.00 96.76 9 A 1 ATOM 70 C CG1 . ILE A 1 9 ? -0.549 -0.779 4.392 1.00 95.39 9 A 1 ATOM 71 C CG2 . ILE A 1 9 ? 1.271 -1.438 2.801 1.00 94.88 9 A 1 ATOM 72 C CD1 . ILE A 1 9 ? -0.514 -2.075 5.176 1.00 92.26 9 A 1 ATOM 73 N N . LEU A 1 10 ? -0.537 -0.324 -0.115 1.00 96.98 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -0.114 -0.469 -1.497 1.00 96.88 10 A 1 ATOM 75 C C . LEU A 1 10 ? 0.065 0.894 -2.143 1.00 97.23 10 A 1 ATOM 76 O O . LEU A 1 10 ? 0.993 1.111 -2.922 1.00 97.32 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -1.144 -1.285 -2.275 1.00 96.97 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -0.760 -1.569 -3.722 1.00 93.84 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 0.552 -2.335 -3.792 1.00 91.00 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -1.857 -2.352 -4.416 1.00 93.03 10 A 1 ATOM 81 N N . TRP A 1 11 ? -0.812 1.796 -1.820 1.00 96.96 11 A 1 ATOM 82 C CA . TRP A 1 11 ? -0.741 3.156 -2.329 1.00 96.68 11 A 1 ATOM 83 C C . TRP A 1 11 ? 0.518 3.848 -1.818 1.00 96.87 11 A 1 ATOM 84 O O . TRP A 1 11 ? 1.191 4.573 -2.548 1.00 96.35 11 A 1 ATOM 85 C CB . TRP A 1 11 ? -1.990 3.936 -1.912 1.00 96.33 11 A 1 ATOM 86 C CG . TRP A 1 11 ? -1.722 5.368 -1.585 1.00 95.25 11 A 1 ATOM 87 C CD1 . TRP A 1 11 ? -1.796 5.937 -0.356 1.00 92.55 11 A 1 ATOM 88 C CD2 . TRP A 1 11 ? -1.313 6.408 -2.490 1.00 94.62 11 A 1 ATOM 89 N NE1 . TRP A 1 11 ? -1.465 7.275 -0.444 1.00 92.66 11 A 1 ATOM 90 C CE2 . TRP A 1 11 ? -1.163 7.583 -1.744 1.00 94.07 11 A 1 ATOM 91 C CE3 . TRP A 1 11 ? -1.071 6.450 -3.857 1.00 93.72 11 A 1 ATOM 92 C CZ2 . TRP A 1 11 ? -0.776 8.788 -2.331 1.00 92.74 11 A 1 ATOM 93 C CZ3 . TRP A 1 11 ? -0.686 7.646 -4.443 1.00 90.12 11 A 1 ATOM 94 C CH2 . TRP A 1 11 ? -0.542 8.804 -3.675 1.00 90.23 11 A 1 ATOM 95 N N . ALA A 1 12 ? 0.834 3.599 -0.546 1.00 97.43 12 A 1 ATOM 96 C CA . ALA A 1 12 ? 2.019 4.189 0.055 1.00 97.37 12 A 1 ATOM 97 C C . ALA A 1 12 ? 3.276 3.676 -0.635 1.00 97.55 12 A 1 ATOM 98 O O . ALA A 1 12 ? 4.229 4.424 -0.842 1.00 96.79 12 A 1 ATOM 99 C CB . ALA A 1 12 ? 2.066 3.879 1.544 1.00 96.88 12 A 1 ATOM 100 N N . ASN A 1 13 ? 3.270 2.402 -0.996 1.00 96.95 13 A 1 ATOM 101 C CA . ASN A 1 13 ? 4.393 1.805 -1.698 1.00 96.74 13 A 1 ATOM 102 C C . ASN A 1 13 ? 4.540 2.400 -3.089 1.00 96.84 13 A 1 ATOM 103 O O . ASN A 1 13 ? 5.645 2.709 -3.530 1.00 96.01 13 A 1 ATOM 104 C CB . ASN A 1 13 ? 4.210 0.291 -1.800 1.00 96.21 13 A 1 ATOM 105 C CG . ASN A 1 13 ? 4.579 -0.415 -0.515 1.00 93.64 13 A 1 ATOM 106 O OD1 . ASN A 1 13 ? 5.678 -0.940 -0.372 1.00 89.37 13 A 1 ATOM 107 N ND2 . ASN A 1 13 ? 3.665 -0.449 0.430 1.00 89.51 13 A 1 ATOM 108 N N . CYS A 1 14 ? 3.433 2.568 -3.768 1.00 97.59 14 A 1 ATOM 109 C CA . CYS A 1 14 ? 3.445 3.163 -5.093 1.00 97.38 14 A 1 ATOM 110 C C . CYS A 1 14 ? 3.888 4.616 -5.038 1.00 97.65 14 A 1 ATOM 111 O O . CYS A 1 14 ? 4.466 5.134 -5.990 1.00 96.67 14 A 1 ATOM 112 C CB . CYS A 1 14 ? 2.057 3.067 -5.719 1.00 96.43 14 A 1 ATOM 113 S SG . CYS A 1 14 ? 1.639 1.385 -6.205 1.00 92.27 14 A 1 ATOM 114 N N . CYS A 1 15 ? 3.610 5.247 -3.920 1.00 97.33 15 A 1 ATOM 115 C CA . CYS A 1 15 ? 3.990 6.642 -3.731 1.00 97.21 15 A 1 ATOM 116 C C . CYS A 1 15 ? 5.487 6.767 -3.479 1.00 97.54 15 A 1 ATOM 117 O O . CYS A 1 15 ? 6.119 7.748 -3.874 1.00 96.40 15 A 1 ATOM 118 C CB . CYS A 1 15 ? 3.214 7.249 -2.563 1.00 96.08 15 A 1 ATOM 119 S SG . CYS A 1 15 ? 3.392 9.027 -2.460 1.00 92.45 15 A 1 ATOM 120 N N . LEU A 1 16 ? 6.047 5.760 -2.807 1.00 96.22 16 A 1 ATOM 121 C CA . LEU A 1 16 ? 7.465 5.742 -2.493 1.00 96.19 16 A 1 ATOM 122 C C . LEU A 1 16 ? 8.221 4.803 -3.419 1.00 96.49 16 A 1 ATOM 123 O O . LEU A 1 16 ? 9.353 4.405 -3.131 1.00 95.77 16 A 1 ATOM 124 C CB . LEU A 1 16 ? 7.682 5.329 -1.031 1.00 95.71 16 A 1 ATOM 125 C CG . LEU A 1 16 ? 7.879 6.480 -0.045 1.00 93.03 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? 9.153 7.241 -0.388 1.00 90.26 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? 6.686 7.411 -0.077 1.00 89.75 16 A 1 ATOM 128 N N . CYS A 1 17 ? 7.597 4.476 -4.518 1.00 95.68 17 A 1 ATOM 129 C CA . CYS A 1 17 ? 8.200 3.552 -5.463 1.00 94.75 17 A 1 ATOM 130 C C . CYS A 1 17 ? 9.076 4.317 -6.459 1.00 93.93 17 A 1 ATOM 131 O O . CYS A 1 17 ? 10.291 4.065 -6.510 1.00 91.47 17 A 1 ATOM 132 C CB . CYS A 1 17 ? 7.126 2.755 -6.199 1.00 91.90 17 A 1 ATOM 133 S SG . CYS A 1 17 ? 7.797 1.367 -7.109 1.00 87.95 17 A 1 ATOM 134 O OXT . CYS A 1 17 ? 8.532 5.183 -7.160 1.00 86.13 17 A 1 #