# 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_spkb14967 # _entry.id spkb14967 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "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" "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" "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 HIS 2 1 n ARG 3 1 n LEU 4 1 n ILE 5 1 n PHE 6 1 n VAL 7 1 n TYR 8 1 n THR 9 1 n LEU 10 1 n ILE 11 1 n CYS 12 1 n ALA 13 1 n ASN 14 1 n PHE 15 1 n CYS 16 1 n SER 17 1 n CYS 18 # _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 @ 2025-07-08 06:56:01)" _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 89.28 _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 78.23 1 1 A HIS 2 2 79.08 1 2 A ARG 3 2 82.02 1 3 A LEU 4 2 90.53 1 4 A ILE 5 2 91.52 1 5 A PHE 6 2 91.62 1 6 A VAL 7 2 94.78 1 7 A TYR 8 2 91.74 1 8 A THR 9 2 93.38 1 9 A LEU 10 2 93.46 1 10 A ILE 11 2 94.43 1 11 A CYS 12 2 94.76 1 12 A ALA 13 2 96.60 1 13 A ASN 14 2 92.80 1 14 A PHE 15 2 91.20 1 15 A CYS 16 2 91.78 1 16 A SER 17 2 84.36 1 17 A CYS 18 2 80.81 1 18 # _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 HIS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n CYS . 18 A 18 # _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 ? -10.194 0.418 10.907 1.00 85.13 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.341 -0.512 10.138 1.00 86.53 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.916 0.011 10.006 1.00 86.88 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.717 1.154 9.606 1.00 83.66 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.927 -0.725 8.743 1.00 80.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.435 -2.131 8.517 1.00 73.86 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.159 -2.344 6.895 1.00 68.85 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.694 -4.039 6.995 1.00 60.29 1 A 1 ATOM 9 N N . HIS A 1 2 ? -6.941 -0.826 10.338 1.00 88.11 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -5.535 -0.445 10.264 1.00 89.63 2 A 1 ATOM 11 C C . HIS A 1 2 ? -4.828 -1.109 9.084 1.00 90.18 2 A 1 ATOM 12 O O . HIS A 1 2 ? -3.749 -0.684 8.679 1.00 86.34 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -4.833 -0.815 11.571 1.00 84.87 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -4.549 0.376 12.436 1.00 76.65 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -3.375 0.555 13.120 1.00 69.48 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -5.315 1.452 12.720 1.00 68.22 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -3.444 1.693 13.784 1.00 68.02 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -4.611 2.262 13.562 1.00 69.34 2 A 1 ATOM 19 N N . ARG A 1 3 ? -5.456 -2.153 8.557 1.00 90.96 3 A 1 ATOM 20 C CA . ARG A 1 3 ? -4.875 -2.888 7.434 1.00 93.05 3 A 1 ATOM 21 C C . ARG A 1 3 ? -4.883 -2.059 6.157 1.00 94.29 3 A 1 ATOM 22 O O . ARG A 1 3 ? -3.980 -2.183 5.330 1.00 91.44 3 A 1 ATOM 23 C CB . ARG A 1 3 ? -5.626 -4.196 7.211 1.00 90.88 3 A 1 ATOM 24 C CG . ARG A 1 3 ? -4.908 -5.406 7.786 1.00 83.04 3 A 1 ATOM 25 C CD . ARG A 1 3 ? -4.941 -5.388 9.303 1.00 80.97 3 A 1 ATOM 26 N NE . ARG A 1 3 ? -3.928 -6.260 9.886 1.00 75.40 3 A 1 ATOM 27 C CZ . ARG A 1 3 ? -3.723 -6.390 11.183 1.00 70.77 3 A 1 ATOM 28 N NH1 . ARG A 1 3 ? -4.468 -5.720 12.043 1.00 66.25 3 A 1 ATOM 29 N NH2 . ARG A 1 3 ? -2.770 -7.191 11.624 1.00 65.14 3 A 1 ATOM 30 N N . LEU A 1 4 ? -5.895 -1.228 6.006 1.00 93.16 4 A 1 ATOM 31 C CA . LEU A 1 4 ? -6.009 -0.382 4.826 1.00 94.63 4 A 1 ATOM 32 C C . LEU A 1 4 ? -4.904 0.667 4.791 1.00 95.49 4 A 1 ATOM 33 O O . LEU A 1 4 ? -4.414 1.027 3.723 1.00 94.33 4 A 1 ATOM 34 C CB . LEU A 1 4 ? -7.380 0.294 4.795 1.00 93.95 4 A 1 ATOM 35 C CG . LEU A 1 4 ? -7.812 0.763 3.413 1.00 87.37 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? -8.187 -0.425 2.542 1.00 82.77 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? -8.977 1.730 3.526 1.00 82.53 4 A 1 ATOM 38 N N . ILE A 1 5 ? -4.516 1.140 5.950 1.00 94.70 5 A 1 ATOM 39 C CA . ILE A 1 5 ? -3.454 2.136 6.066 1.00 94.60 5 A 1 ATOM 40 C C . ILE A 1 5 ? -2.119 1.537 5.652 1.00 94.93 5 A 1 ATOM 41 O O . ILE A 1 5 ? -1.268 2.216 5.074 1.00 93.98 5 A 1 ATOM 42 C CB . ILE A 1 5 ? -3.357 2.674 7.504 1.00 94.26 5 A 1 ATOM 43 C CG1 . ILE A 1 5 ? -4.727 3.118 8.015 1.00 89.28 5 A 1 ATOM 44 C CG2 . ILE A 1 5 ? -2.368 3.841 7.555 1.00 88.08 5 A 1 ATOM 45 C CD1 . ILE A 1 5 ? -4.781 3.289 9.509 1.00 82.36 5 A 1 ATOM 46 N N . PHE A 1 6 ? -1.953 0.266 5.947 1.00 94.65 6 A 1 ATOM 47 C CA . PHE A 1 6 ? -0.728 -0.441 5.598 1.00 94.62 6 A 1 ATOM 48 C C . PHE A 1 6 ? -0.552 -0.515 4.086 1.00 95.23 6 A 1 ATOM 49 O O . PHE A 1 6 ? 0.562 -0.397 3.576 1.00 94.51 6 A 1 ATOM 50 C CB . PHE A 1 6 ? -0.755 -1.846 6.197 1.00 94.29 6 A 1 ATOM 51 C CG . PHE A 1 6 ? 0.492 -2.638 5.913 1.00 92.83 6 A 1 ATOM 52 C CD1 . PHE A 1 6 ? 1.705 -2.260 6.469 1.00 88.99 6 A 1 ATOM 53 C CD2 . PHE A 1 6 ? 0.443 -3.757 5.103 1.00 88.97 6 A 1 ATOM 54 C CE1 . PHE A 1 6 ? 2.856 -2.982 6.209 1.00 87.77 6 A 1 ATOM 55 C CE2 . PHE A 1 6 ? 1.595 -4.486 4.840 1.00 87.81 6 A 1 ATOM 56 C CZ . PHE A 1 6 ? 2.800 -4.097 5.391 1.00 88.20 6 A 1 ATOM 57 N N . VAL A 1 7 ? -1.659 -0.696 3.390 1.00 95.91 7 A 1 ATOM 58 C CA . VAL A 1 7 ? -1.636 -0.763 1.931 1.00 96.12 7 A 1 ATOM 59 C C . VAL A 1 7 ? -1.289 0.597 1.342 1.00 96.32 7 A 1 ATOM 60 O O . VAL A 1 7 ? -0.582 0.691 0.335 1.00 95.63 7 A 1 ATOM 61 C CB . VAL A 1 7 ? -2.984 -1.242 1.369 1.00 95.67 7 A 1 ATOM 62 C CG1 . VAL A 1 7 ? -2.882 -1.512 -0.123 1.00 91.93 7 A 1 ATOM 63 C CG2 . VAL A 1 7 ? -3.455 -2.489 2.096 1.00 91.85 7 A 1 ATOM 64 N N . TYR A 1 8 ? -1.777 1.629 1.980 1.00 95.02 8 A 1 ATOM 65 C CA . TYR A 1 8 ? -1.523 2.992 1.532 1.00 95.06 8 A 1 ATOM 66 C C . TYR A 1 8 ? -0.037 3.328 1.643 1.00 95.39 8 A 1 ATOM 67 O O . TYR A 1 8 ? 0.507 4.079 0.836 1.00 94.82 8 A 1 ATOM 68 C CB . TYR A 1 8 ? -2.350 3.971 2.362 1.00 94.95 8 A 1 ATOM 69 C CG . TYR A 1 8 ? -2.624 5.267 1.631 1.00 92.61 8 A 1 ATOM 70 C CD1 . TYR A 1 8 ? -1.687 6.293 1.624 1.00 89.47 8 A 1 ATOM 71 C CD2 . TYR A 1 8 ? -3.826 5.457 0.954 1.00 89.65 8 A 1 ATOM 72 C CE1 . TYR A 1 8 ? -1.937 7.479 0.951 1.00 88.30 8 A 1 ATOM 73 C CE2 . TYR A 1 8 ? -4.081 6.643 0.283 1.00 88.72 8 A 1 ATOM 74 C CZ . TYR A 1 8 ? -3.133 7.648 0.284 1.00 89.65 8 A 1 ATOM 75 O OH . TYR A 1 8 ? -3.379 8.825 -0.379 1.00 87.21 8 A 1 ATOM 76 N N . THR A 1 9 ? 0.599 2.758 2.636 1.00 95.18 9 A 1 ATOM 77 C CA . THR A 1 9 ? 2.026 2.973 2.854 1.00 95.19 9 A 1 ATOM 78 C C . THR A 1 9 ? 2.837 2.348 1.724 1.00 95.67 9 A 1 ATOM 79 O O . THR A 1 9 ? 3.886 2.873 1.341 1.00 94.85 9 A 1 ATOM 80 C CB . THR A 1 9 ? 2.464 2.372 4.197 1.00 94.69 9 A 1 ATOM 81 O OG1 . THR A 1 9 ? 1.545 2.743 5.216 1.00 89.50 9 A 1 ATOM 82 C CG2 . THR A 1 9 ? 3.847 2.855 4.587 1.00 88.58 9 A 1 ATOM 83 N N . LEU A 1 10 ? 2.345 1.241 1.194 1.00 95.48 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 3.011 0.551 0.098 1.00 95.47 10 A 1 ATOM 85 C C . LEU A 1 10 ? 3.001 1.403 -1.163 1.00 95.80 10 A 1 ATOM 86 O O . LEU A 1 10 ? 4.001 1.490 -1.876 1.00 95.33 10 A 1 ATOM 87 C CB . LEU A 1 10 ? 2.330 -0.796 -0.170 1.00 95.43 10 A 1 ATOM 88 C CG . LEU A 1 10 ? 3.071 -2.028 0.345 1.00 91.64 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? 4.408 -2.182 -0.345 1.00 88.82 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? 3.248 -1.966 1.850 1.00 89.69 10 A 1 ATOM 91 N N . ILE A 1 11 ? 1.874 2.026 -1.427 1.00 96.06 11 A 1 ATOM 92 C CA . ILE A 1 11 ? 1.724 2.878 -2.598 1.00 95.80 11 A 1 ATOM 93 C C . ILE A 1 11 ? 2.605 4.114 -2.474 1.00 95.92 11 A 1 ATOM 94 O O . ILE A 1 11 ? 3.238 4.542 -3.443 1.00 95.49 11 A 1 ATOM 95 C CB . ILE A 1 11 ? 0.258 3.295 -2.782 1.00 95.73 11 A 1 ATOM 96 C CG1 . ILE A 1 11 ? -0.661 2.077 -2.778 1.00 93.96 11 A 1 ATOM 97 C CG2 . ILE A 1 11 ? 0.104 4.072 -4.095 1.00 93.45 11 A 1 ATOM 98 C CD1 . ILE A 1 11 ? -2.110 2.425 -2.528 1.00 89.04 11 A 1 ATOM 99 N N . CYS A 1 12 ? 2.639 4.670 -1.289 1.00 96.34 12 A 1 ATOM 100 C CA . CYS A 1 12 ? 3.441 5.859 -1.034 1.00 96.12 12 A 1 ATOM 101 C C . CYS A 1 12 ? 4.928 5.537 -1.125 1.00 96.30 12 A 1 ATOM 102 O O . CYS A 1 12 ? 5.723 6.354 -1.581 1.00 95.32 12 A 1 ATOM 103 C CB . CYS A 1 12 ? 3.108 6.433 0.346 1.00 95.16 12 A 1 ATOM 104 S SG . CYS A 1 12 ? 3.611 8.151 0.540 1.00 89.34 12 A 1 ATOM 105 N N . ALA A 1 13 ? 5.286 4.345 -0.698 1.00 96.93 13 A 1 ATOM 106 C CA . ALA A 1 13 ? 6.675 3.905 -0.738 1.00 96.89 13 A 1 ATOM 107 C C . ALA A 1 13 ? 7.147 3.717 -2.174 1.00 97.15 13 A 1 ATOM 108 O O . ALA A 1 13 ? 8.280 4.054 -2.506 1.00 95.90 13 A 1 ATOM 109 C CB . ALA A 1 13 ? 6.834 2.611 0.043 1.00 96.13 13 A 1 ATOM 110 N N . ASN A 1 14 ? 6.272 3.189 -3.021 1.00 96.35 14 A 1 ATOM 111 C CA . ASN A 1 14 ? 6.593 2.982 -4.426 1.00 96.37 14 A 1 ATOM 112 C C . ASN A 1 14 ? 6.699 4.305 -5.174 1.00 96.49 14 A 1 ATOM 113 O O . ASN A 1 14 ? 7.565 4.474 -6.031 1.00 95.32 14 A 1 ATOM 114 C CB . ASN A 1 14 ? 5.536 2.094 -5.080 1.00 95.67 14 A 1 ATOM 115 C CG . ASN A 1 14 ? 5.835 0.628 -4.883 1.00 92.24 14 A 1 ATOM 116 O OD1 . ASN A 1 14 ? 6.505 0.005 -5.696 1.00 84.52 14 A 1 ATOM 117 N ND2 . ASN A 1 14 ? 5.339 0.056 -3.807 1.00 85.45 14 A 1 ATOM 118 N N . PHE A 1 15 ? 5.826 5.233 -4.838 1.00 96.17 15 A 1 ATOM 119 C CA . PHE A 1 15 ? 5.802 6.535 -5.480 1.00 95.91 15 A 1 ATOM 120 C C . PHE A 1 15 ? 6.954 7.412 -5.006 1.00 95.88 15 A 1 ATOM 121 O O . PHE A 1 15 ? 7.531 8.168 -5.788 1.00 93.79 15 A 1 ATOM 122 C CB . PHE A 1 15 ? 4.469 7.225 -5.206 1.00 95.02 15 A 1 ATOM 123 C CG . PHE A 1 15 ? 4.033 8.120 -6.331 1.00 91.15 15 A 1 ATOM 124 C CD1 . PHE A 1 15 ? 4.518 9.410 -6.439 1.00 87.31 15 A 1 ATOM 125 C CD2 . PHE A 1 15 ? 3.140 7.654 -7.286 1.00 87.67 15 A 1 ATOM 126 C CE1 . PHE A 1 15 ? 4.122 10.228 -7.485 1.00 86.85 15 A 1 ATOM 127 C CE2 . PHE A 1 15 ? 2.741 8.472 -8.331 1.00 86.71 15 A 1 ATOM 128 C CZ . PHE A 1 15 ? 3.234 9.756 -8.425 1.00 86.71 15 A 1 ATOM 129 N N . CYS A 1 16 ? 7.283 7.310 -3.742 1.00 94.55 16 A 1 ATOM 130 C CA . CYS A 1 16 ? 8.359 8.105 -3.164 1.00 93.98 16 A 1 ATOM 131 C C . CYS A 1 16 ? 9.731 7.495 -3.431 1.00 94.23 16 A 1 ATOM 132 O O . CYS A 1 16 ? 10.738 8.204 -3.430 1.00 92.01 16 A 1 ATOM 133 C CB . CYS A 1 16 ? 8.145 8.269 -1.657 1.00 91.87 16 A 1 ATOM 134 S SG . CYS A 1 16 ? 6.908 9.511 -1.254 1.00 84.05 16 A 1 ATOM 135 N N . SER A 1 17 ? 9.759 6.187 -3.630 1.00 90.49 17 A 1 ATOM 136 C CA . SER A 1 17 ? 11.012 5.490 -3.888 1.00 88.44 17 A 1 ATOM 137 C C . SER A 1 17 ? 11.410 5.571 -5.356 1.00 86.28 17 A 1 ATOM 138 O O . SER A 1 17 ? 12.593 5.672 -5.684 1.00 79.87 17 A 1 ATOM 139 C CB . SER A 1 17 ? 10.917 4.033 -3.448 1.00 85.77 17 A 1 ATOM 140 O OG . SER A 1 17 ? 11.001 3.928 -2.041 1.00 75.28 17 A 1 ATOM 141 N N . CYS A 1 18 ? 10.410 5.535 -6.225 1.00 89.82 18 A 1 ATOM 142 C CA . CYS A 1 18 ? 10.638 5.603 -7.664 1.00 86.46 18 A 1 ATOM 143 C C . CYS A 1 18 ? 10.400 7.018 -8.173 1.00 84.54 18 A 1 ATOM 144 O O . CYS A 1 18 ? 11.290 7.581 -8.824 1.00 78.67 18 A 1 ATOM 145 C CB . CYS A 1 18 ? 9.742 4.601 -8.400 1.00 80.50 18 A 1 ATOM 146 S SG . CYS A 1 18 ? 10.214 2.884 -8.109 1.00 73.91 18 A 1 ATOM 147 O OXT . CYS A 1 18 ? 9.301 7.559 -7.928 1.00 71.75 18 A 1 #