# 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_spkb21163 # _entry.id spkb21163 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ALA 2 1 n PHE 3 1 n LEU 4 1 n THR 5 1 n ILE 6 1 n LEU 7 1 n VAL 8 1 n LEU 9 1 n PHE 10 1 n LEU 11 1 n PHE 12 1 n LYS 13 1 n GLU 14 1 n VAL 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 @ 2025-07-03 11:50:03)" _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 93.28 _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 83.32 1 1 A ALA 2 2 94.65 1 2 A PHE 3 2 93.19 1 3 A LEU 4 2 94.29 1 4 A THR 5 2 95.11 1 5 A ILE 6 2 95.84 1 6 A LEU 7 2 95.26 1 7 A VAL 8 2 96.91 1 8 A LEU 9 2 95.00 1 9 A PHE 10 2 93.69 1 10 A LEU 11 2 95.09 1 11 A PHE 12 2 93.12 1 12 A LYS 13 2 91.12 1 13 A GLU 14 2 92.03 1 14 A VAL 15 2 95.83 1 15 A LEU 16 2 95.01 1 16 A CYS 17 2 87.53 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 ALA . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 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 VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n VAL . 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 ? -7.868 1.408 -8.124 1.00 90.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.364 0.472 -7.099 1.00 90.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.845 0.507 -7.010 1.00 91.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.279 0.298 -5.944 1.00 90.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.815 -0.957 -7.426 1.00 86.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.321 -1.118 -7.290 1.00 78.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.859 -2.782 -7.679 1.00 73.59 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.605 -2.623 -7.321 1.00 65.23 1 A 1 ATOM 9 N N . ALA A 1 2 ? -5.209 0.760 -8.133 1.00 92.86 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -3.746 0.812 -8.152 1.00 95.10 2 A 1 ATOM 11 C C . ALA A 1 2 ? -3.213 1.878 -7.200 1.00 96.65 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.348 1.610 -6.367 1.00 95.81 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.256 1.068 -9.572 1.00 92.82 2 A 1 ATOM 14 N N . PHE A 1 3 ? -3.760 3.089 -7.311 1.00 96.03 3 A 1 ATOM 15 C CA . PHE A 1 3 ? -3.308 4.178 -6.448 1.00 96.70 3 A 1 ATOM 16 C C . PHE A 1 3 ? -3.668 3.885 -4.992 1.00 97.19 3 A 1 ATOM 17 O O . PHE A 1 3 ? -2.946 4.285 -4.076 1.00 96.70 3 A 1 ATOM 18 C CB . PHE A 1 3 ? -3.909 5.510 -6.912 1.00 95.93 3 A 1 ATOM 19 C CG . PHE A 1 3 ? -5.340 5.710 -6.478 1.00 93.56 3 A 1 ATOM 20 C CD1 . PHE A 1 3 ? -5.623 6.336 -5.267 1.00 91.03 3 A 1 ATOM 21 C CD2 . PHE A 1 3 ? -6.390 5.265 -7.266 1.00 90.59 3 A 1 ATOM 22 C CE1 . PHE A 1 3 ? -6.937 6.518 -4.851 1.00 89.64 3 A 1 ATOM 23 C CE2 . PHE A 1 3 ? -7.711 5.441 -6.849 1.00 88.96 3 A 1 ATOM 24 C CZ . PHE A 1 3 ? -7.978 6.067 -5.644 1.00 88.77 3 A 1 ATOM 25 N N . LEU A 1 4 ? -4.771 3.201 -4.782 1.00 96.82 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -5.214 2.841 -3.439 1.00 97.19 4 A 1 ATOM 27 C C . LEU A 1 4 ? -4.191 1.909 -2.796 1.00 97.48 4 A 1 ATOM 28 O O . LEU A 1 4 ? -3.847 2.056 -1.623 1.00 97.21 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -6.595 2.166 -3.510 1.00 96.72 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -7.391 2.161 -2.202 1.00 90.38 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -6.755 1.260 -1.163 1.00 88.92 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -7.529 3.578 -1.664 1.00 89.58 4 A 1 ATOM 33 N N . THR A 1 5 ? -3.711 0.954 -3.570 1.00 97.42 5 A 1 ATOM 34 C CA . THR A 1 5 ? -2.703 0.010 -3.081 1.00 97.56 5 A 1 ATOM 35 C C . THR A 1 5 ? -1.431 0.756 -2.697 1.00 97.69 5 A 1 ATOM 36 O O . THR A 1 5 ? -0.803 0.459 -1.680 1.00 97.09 5 A 1 ATOM 37 C CB . THR A 1 5 ? -2.376 -1.036 -4.154 1.00 96.86 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? -3.569 -1.710 -4.541 1.00 90.56 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? -1.383 -2.055 -3.620 1.00 88.57 5 A 1 ATOM 40 N N . ILE A 1 6 ? -1.055 1.720 -3.506 1.00 97.87 6 A 1 ATOM 41 C CA . ILE A 1 6 ? 0.142 2.517 -3.237 1.00 97.64 6 A 1 ATOM 42 C C . ILE A 1 6 ? -0.035 3.290 -1.932 1.00 97.64 6 A 1 ATOM 43 O O . ILE A 1 6 ? 0.893 3.394 -1.127 1.00 97.11 6 A 1 ATOM 44 C CB . ILE A 1 6 ? 0.418 3.485 -4.401 1.00 97.25 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? 0.707 2.698 -5.683 1.00 94.92 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? 1.605 4.389 -4.063 1.00 94.50 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? 0.778 3.576 -6.916 1.00 89.81 6 A 1 ATOM 48 N N . LEU A 1 7 ? -1.227 3.814 -1.718 1.00 97.40 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -1.524 4.554 -0.495 1.00 97.35 7 A 1 ATOM 50 C C . LEU A 1 7 ? -1.356 3.653 0.721 1.00 97.51 7 A 1 ATOM 51 O O . LEU A 1 7 ? -0.785 4.061 1.734 1.00 97.35 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -2.955 5.092 -0.560 1.00 97.05 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -3.373 5.870 0.691 1.00 93.61 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -2.510 7.115 0.857 1.00 90.63 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -4.841 6.267 0.593 1.00 91.17 7 A 1 ATOM 56 N N . VAL A 1 8 ? -1.851 2.438 0.615 1.00 97.69 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -1.730 1.469 1.704 1.00 97.75 8 A 1 ATOM 58 C C . VAL A 1 8 ? -0.259 1.161 1.966 1.00 97.79 8 A 1 ATOM 59 O O . VAL A 1 8 ? 0.162 1.039 3.117 1.00 97.39 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -2.489 0.175 1.369 1.00 97.40 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? -2.279 -0.872 2.454 1.00 95.22 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -3.976 0.472 1.214 1.00 95.15 8 A 1 ATOM 63 N N . LEU A 1 9 ? 0.512 1.039 0.899 1.00 97.53 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 1.937 0.754 1.030 1.00 97.24 9 A 1 ATOM 65 C C . LEU A 1 9 ? 2.648 1.897 1.742 1.00 97.33 9 A 1 ATOM 66 O O . LEU A 1 9 ? 3.550 1.668 2.544 1.00 96.94 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 2.557 0.532 -0.352 1.00 96.85 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 2.115 -0.767 -1.016 1.00 91.63 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 2.624 -0.827 -2.450 1.00 90.65 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 2.640 -1.967 -0.235 1.00 91.87 9 A 1 ATOM 71 N N . PHE A 1 10 ? 2.241 3.125 1.461 1.00 97.24 10 A 1 ATOM 72 C CA . PHE A 1 10 ? 2.830 4.284 2.117 1.00 97.13 10 A 1 ATOM 73 C C . PHE A 1 10 ? 2.598 4.210 3.621 1.00 97.41 10 A 1 ATOM 74 O O . PHE A 1 10 ? 3.521 4.393 4.412 1.00 97.04 10 A 1 ATOM 75 C CB . PHE A 1 10 ? 2.209 5.571 1.577 1.00 96.82 10 A 1 ATOM 76 C CG . PHE A 1 10 ? 2.842 6.037 0.290 1.00 94.04 10 A 1 ATOM 77 C CD1 . PHE A 1 10 ? 4.200 6.297 0.234 1.00 90.67 10 A 1 ATOM 78 C CD2 . PHE A 1 10 ? 2.071 6.229 -0.845 1.00 91.37 10 A 1 ATOM 79 C CE1 . PHE A 1 10 ? 4.787 6.737 -0.941 1.00 89.59 10 A 1 ATOM 80 C CE2 . PHE A 1 10 ? 2.653 6.672 -2.025 1.00 90.15 10 A 1 ATOM 81 C CZ . PHE A 1 10 ? 4.012 6.921 -2.070 1.00 89.08 10 A 1 ATOM 82 N N . LEU A 1 11 ? 1.360 3.938 4.014 1.00 97.30 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 1.019 3.822 5.427 1.00 97.40 11 A 1 ATOM 84 C C . LEU A 1 11 ? 1.703 2.613 6.042 1.00 97.53 11 A 1 ATOM 85 O O . LEU A 1 11 ? 2.175 2.668 7.177 1.00 96.93 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -0.497 3.684 5.576 1.00 97.21 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -1.263 4.907 5.085 1.00 93.05 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -2.757 4.612 5.065 1.00 90.32 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -0.983 6.106 5.987 1.00 90.95 11 A 1 ATOM 90 N N . PHE A 1 12 ? 1.753 1.527 5.287 1.00 97.69 12 A 1 ATOM 91 C CA . PHE A 1 12 ? 2.389 0.292 5.739 1.00 97.54 12 A 1 ATOM 92 C C . PHE A 1 12 ? 3.856 0.542 6.067 1.00 97.51 12 A 1 ATOM 93 O O . PHE A 1 12 ? 4.346 0.151 7.124 1.00 96.81 12 A 1 ATOM 94 C CB . PHE A 1 12 ? 2.268 -0.760 4.639 1.00 97.02 12 A 1 ATOM 95 C CG . PHE A 1 12 ? 2.831 -2.098 5.039 1.00 93.76 12 A 1 ATOM 96 C CD1 . PHE A 1 12 ? 2.094 -2.971 5.827 1.00 89.22 12 A 1 ATOM 97 C CD2 . PHE A 1 12 ? 4.091 -2.483 4.614 1.00 89.72 12 A 1 ATOM 98 C CE1 . PHE A 1 12 ? 2.607 -4.206 6.185 1.00 88.40 12 A 1 ATOM 99 C CE2 . PHE A 1 12 ? 4.613 -3.722 4.974 1.00 88.46 12 A 1 ATOM 100 C CZ . PHE A 1 12 ? 3.868 -4.582 5.759 1.00 88.19 12 A 1 ATOM 101 N N . LYS A 1 13 ? 4.544 1.186 5.158 1.00 97.60 13 A 1 ATOM 102 C CA . LYS A 1 13 ? 5.963 1.477 5.341 1.00 97.62 13 A 1 ATOM 103 C C . LYS A 1 13 ? 6.161 2.517 6.440 1.00 97.64 13 A 1 ATOM 104 O O . LYS A 1 13 ? 7.158 2.487 7.162 1.00 96.86 13 A 1 ATOM 105 C CB . LYS A 1 13 ? 6.543 1.970 4.016 1.00 96.96 13 A 1 ATOM 106 C CG . LYS A 1 13 ? 8.067 1.925 3.970 1.00 90.84 13 A 1 ATOM 107 C CD . LYS A 1 13 ? 8.682 3.168 4.584 1.00 87.19 13 A 1 ATOM 108 C CE . LYS A 1 13 ? 10.202 3.164 4.444 1.00 81.71 13 A 1 ATOM 109 N NZ . LYS A 1 13 ? 10.792 4.380 5.021 1.00 73.63 13 A 1 ATOM 110 N N . GLU A 1 14 ? 5.213 3.424 6.566 1.00 97.85 14 A 1 ATOM 111 C CA . GLU A 1 14 ? 5.301 4.474 7.577 1.00 97.72 14 A 1 ATOM 112 C C . GLU A 1 14 ? 5.086 3.917 8.979 1.00 97.67 14 A 1 ATOM 113 O O . GLU A 1 14 ? 5.771 4.318 9.919 1.00 96.01 14 A 1 ATOM 114 C CB . GLU A 1 14 ? 4.263 5.559 7.283 1.00 97.07 14 A 1 ATOM 115 C CG . GLU A 1 14 ? 4.360 6.724 8.254 1.00 91.27 14 A 1 ATOM 116 C CD . GLU A 1 14 ? 3.370 7.817 7.910 1.00 86.74 14 A 1 ATOM 117 O OE1 . GLU A 1 14 ? 2.179 7.512 7.802 1.00 82.01 14 A 1 ATOM 118 O OE2 . GLU A 1 14 ? 3.789 8.971 7.755 1.00 81.93 14 A 1 ATOM 119 N N . VAL A 1 15 ? 4.123 3.019 9.126 1.00 97.61 15 A 1 ATOM 120 C CA . VAL A 1 15 ? 3.812 2.435 10.430 1.00 97.52 15 A 1 ATOM 121 C C . VAL A 1 15 ? 4.901 1.480 10.900 1.00 97.62 15 A 1 ATOM 122 O O . VAL A 1 15 ? 5.357 1.566 12.037 1.00 96.36 15 A 1 ATOM 123 C CB . VAL A 1 15 ? 2.463 1.699 10.386 1.00 96.77 15 A 1 ATOM 124 C CG1 . VAL A 1 15 ? 2.199 0.995 11.710 1.00 92.75 15 A 1 ATOM 125 C CG2 . VAL A 1 15 ? 1.343 2.686 10.100 1.00 92.17 15 A 1 ATOM 126 N N . LEU A 1 16 ? 5.297 0.564 10.027 1.00 97.31 16 A 1 ATOM 127 C CA . LEU A 1 16 ? 6.304 -0.433 10.391 1.00 97.18 16 A 1 ATOM 128 C C . LEU A 1 16 ? 7.711 0.144 10.335 1.00 96.85 16 A 1 ATOM 129 O O . LEU A 1 16 ? 8.525 -0.122 11.217 1.00 95.76 16 A 1 ATOM 130 C CB . LEU A 1 16 ? 6.195 -1.641 9.458 1.00 96.72 16 A 1 ATOM 131 C CG . LEU A 1 16 ? 4.849 -2.356 9.563 1.00 94.79 16 A 1 ATOM 132 C CD1 . LEU A 1 16 ? 4.820 -3.531 8.596 1.00 91.30 16 A 1 ATOM 133 C CD2 . LEU A 1 16 ? 4.611 -2.854 10.981 1.00 90.15 16 A 1 ATOM 134 N N . CYS A 1 17 ? 7.985 0.942 9.285 1.00 94.28 17 A 1 ATOM 135 C CA . CYS A 1 17 ? 9.307 1.562 9.080 1.00 92.98 17 A 1 ATOM 136 C C . CYS A 1 17 ? 10.395 0.510 8.887 1.00 90.14 17 A 1 ATOM 137 O O . CYS A 1 17 ? 11.543 0.884 8.624 1.00 85.35 17 A 1 ATOM 138 C CB . CYS A 1 17 ? 9.658 2.448 10.286 1.00 88.81 17 A 1 ATOM 139 S SG . CYS A 1 17 ? 8.603 3.907 10.409 1.00 82.88 17 A 1 ATOM 140 O OXT . CYS A 1 17 ? 10.109 -0.712 8.949 1.00 78.24 17 A 1 #