# 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_spkb10205 # _entry.id spkb10205 # 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" "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 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" "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" "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 GLY 3 1 n CYS 4 1 n ARG 5 1 n LEU 6 1 n TRP 7 1 n VAL 8 1 n SER 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n ALA 14 1 n ALA 15 1 n LEU 16 1 n ALA 17 1 n CYS 18 1 n LEU 19 1 n ALA 20 1 n THR 21 1 n ALA 22 # _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 15:20:12)" _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 94.88 _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 83.04 1 1 A ALA 2 2 91.76 1 2 A GLY 3 2 94.96 1 3 A CYS 4 2 95.05 1 4 A ARG 5 2 87.71 1 5 A LEU 6 2 95.73 1 6 A TRP 7 2 93.66 1 7 A VAL 8 2 97.80 1 8 A SER 9 2 97.28 1 9 A LEU 10 2 96.52 1 10 A LEU 11 2 97.01 1 11 A LEU 12 2 96.34 1 12 A ALA 13 2 98.43 1 13 A ALA 14 2 98.44 1 14 A ALA 15 2 98.52 1 15 A LEU 16 2 97.30 1 16 A ALA 17 2 98.49 1 17 A CYS 18 2 97.84 1 18 A LEU 19 2 96.93 1 19 A ALA 20 2 97.97 1 20 A THR 21 2 94.60 1 21 A ALA 22 2 91.90 1 22 # _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 GLY . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 0.863 -0.350 17.374 1.00 88.87 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.242 0.494 16.330 1.00 89.62 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.102 -0.288 15.020 1.00 91.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.557 0.148 13.970 1.00 88.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.073 1.762 16.129 1.00 84.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.052 2.643 17.373 1.00 80.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.289 3.944 17.301 1.00 75.53 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.961 4.767 18.855 1.00 65.16 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.515 -1.458 15.107 1.00 88.15 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -0.676 -2.332 13.945 1.00 92.74 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.682 -1.769 12.933 1.00 95.13 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.563 -2.024 11.736 1.00 92.88 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -1.096 -3.719 14.434 1.00 89.91 2 A 1 ATOM 14 N N . GLY A 1 3 ? -2.649 -0.990 13.416 1.00 94.31 3 A 1 ATOM 15 C CA . GLY A 1 3 ? -3.661 -0.378 12.552 1.00 94.90 3 A 1 ATOM 16 C C . GLY A 1 3 ? -3.064 0.568 11.517 1.00 95.95 3 A 1 ATOM 17 O O . GLY A 1 3 ? -3.458 0.537 10.352 1.00 94.66 3 A 1 ATOM 18 N N . CYS A 1 4 ? -2.075 1.378 11.918 1.00 96.28 4 A 1 ATOM 19 C CA . CYS A 1 4 ? -1.385 2.279 10.992 1.00 96.78 4 A 1 ATOM 20 C C . CYS A 1 4 ? -0.652 1.504 9.901 1.00 97.12 4 A 1 ATOM 21 O O . CYS A 1 4 ? -0.694 1.886 8.737 1.00 95.53 4 A 1 ATOM 22 C CB . CYS A 1 4 ? -0.400 3.162 11.758 1.00 95.46 4 A 1 ATOM 23 S SG . CYS A 1 4 ? -1.276 4.404 12.727 1.00 89.13 4 A 1 ATOM 24 N N . ARG A 1 5 ? -0.004 0.397 10.287 1.00 96.50 5 A 1 ATOM 25 C CA . ARG A 1 5 ? 0.704 -0.449 9.318 1.00 96.88 5 A 1 ATOM 26 C C . ARG A 1 5 ? -0.263 -1.066 8.312 1.00 97.66 5 A 1 ATOM 27 O O . ARG A 1 5 ? 0.037 -1.101 7.118 1.00 97.24 5 A 1 ATOM 28 C CB . ARG A 1 5 ? 1.487 -1.532 10.065 1.00 95.96 5 A 1 ATOM 29 C CG . ARG A 1 5 ? 2.459 -2.232 9.120 1.00 90.66 5 A 1 ATOM 30 C CD . ARG A 1 5 ? 2.930 -3.553 9.684 1.00 86.75 5 A 1 ATOM 31 N NE . ARG A 1 5 ? 3.082 -4.528 8.582 1.00 80.50 5 A 1 ATOM 32 C CZ . ARG A 1 5 ? 2.899 -5.829 8.678 1.00 78.21 5 A 1 ATOM 33 N NH1 . ARG A 1 5 ? 2.661 -6.416 9.825 1.00 71.56 5 A 1 ATOM 34 N NH2 . ARG A 1 5 ? 2.935 -6.560 7.594 1.00 72.93 5 A 1 ATOM 35 N N . LEU A 1 6 ? -1.414 -1.526 8.777 1.00 97.50 6 A 1 ATOM 36 C CA . LEU A 1 6 ? -2.439 -2.111 7.913 1.00 97.71 6 A 1 ATOM 37 C C . LEU A 1 6 ? -2.994 -1.076 6.938 1.00 98.09 6 A 1 ATOM 38 O O . LEU A 1 6 ? -3.125 -1.361 5.748 1.00 97.85 6 A 1 ATOM 39 C CB . LEU A 1 6 ? -3.562 -2.705 8.769 1.00 97.71 6 A 1 ATOM 40 C CG . LEU A 1 6 ? -3.241 -4.103 9.302 1.00 94.66 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? -4.237 -4.485 10.396 1.00 91.08 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? -3.304 -5.142 8.186 1.00 91.26 6 A 1 ATOM 43 N N . TRP A 1 7 ? -3.272 0.127 7.431 1.00 97.61 7 A 1 ATOM 44 C CA . TRP A 1 7 ? -3.807 1.188 6.580 1.00 97.58 7 A 1 ATOM 45 C C . TRP A 1 7 ? -2.774 1.663 5.548 1.00 98.02 7 A 1 ATOM 46 O O . TRP A 1 7 ? -3.120 1.868 4.384 1.00 97.82 7 A 1 ATOM 47 C CB . TRP A 1 7 ? -4.379 2.301 7.466 1.00 97.21 7 A 1 ATOM 48 C CG . TRP A 1 7 ? -3.728 3.633 7.385 1.00 94.88 7 A 1 ATOM 49 C CD1 . TRP A 1 7 ? -2.967 4.204 8.336 1.00 91.51 7 A 1 ATOM 50 C CD2 . TRP A 1 7 ? -3.840 4.597 6.306 1.00 93.52 7 A 1 ATOM 51 N NE1 . TRP A 1 7 ? -2.602 5.471 7.924 1.00 90.62 7 A 1 ATOM 52 C CE2 . TRP A 1 7 ? -3.123 5.740 6.690 1.00 93.43 7 A 1 ATOM 53 C CE3 . TRP A 1 7 ? -4.489 4.600 5.081 1.00 91.08 7 A 1 ATOM 54 C CZ2 . TRP A 1 7 ? -3.068 6.888 5.880 1.00 91.47 7 A 1 ATOM 55 C CZ3 . TRP A 1 7 ? -4.424 5.740 4.261 1.00 88.09 7 A 1 ATOM 56 C CH2 . TRP A 1 7 ? -3.720 6.868 4.668 1.00 88.36 7 A 1 ATOM 57 N N . VAL A 1 8 ? -1.501 1.744 5.926 1.00 98.40 8 A 1 ATOM 58 C CA . VAL A 1 8 ? -0.409 2.071 4.996 1.00 98.43 8 A 1 ATOM 59 C C . VAL A 1 8 ? -0.231 0.954 3.965 1.00 98.53 8 A 1 ATOM 60 O O . VAL A 1 8 ? -0.039 1.227 2.778 1.00 98.41 8 A 1 ATOM 61 C CB . VAL A 1 8 ? 0.899 2.339 5.757 1.00 98.15 8 A 1 ATOM 62 C CG1 . VAL A 1 8 ? 2.092 2.473 4.819 1.00 96.45 8 A 1 ATOM 63 C CG2 . VAL A 1 8 ? 0.784 3.623 6.566 1.00 96.26 8 A 1 ATOM 64 N N . SER A 1 9 ? -0.324 -0.299 4.399 1.00 98.08 9 A 1 ATOM 65 C CA . SER A 1 9 ? -0.246 -1.450 3.495 1.00 98.10 9 A 1 ATOM 66 C C . SER A 1 9 ? -1.398 -1.451 2.490 1.00 98.34 9 A 1 ATOM 67 O O . SER A 1 9 ? -1.193 -1.772 1.321 1.00 98.20 9 A 1 ATOM 68 C CB . SER A 1 9 ? -0.258 -2.759 4.281 1.00 97.72 9 A 1 ATOM 69 O OG . SER A 1 9 ? 0.868 -2.834 5.135 1.00 93.27 9 A 1 ATOM 70 N N . LEU A 1 10 ? -2.583 -1.062 2.936 1.00 98.21 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -3.742 -0.920 2.053 1.00 98.29 10 A 1 ATOM 72 C C . LEU A 1 10 ? -3.521 0.175 1.012 1.00 98.53 10 A 1 ATOM 73 O O . LEU A 1 10 ? -3.850 -0.019 -0.161 1.00 98.46 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -4.988 -0.619 2.893 1.00 98.15 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -5.689 -1.883 3.394 1.00 94.95 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -6.638 -1.543 4.541 1.00 92.54 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -6.484 -2.541 2.268 1.00 93.00 10 A 1 ATOM 78 N N . LEU A 1 11 ? -2.939 1.290 1.416 1.00 98.31 11 A 1 ATOM 79 C CA . LEU A 1 11 ? -2.573 2.364 0.491 1.00 98.31 11 A 1 ATOM 80 C C . LEU A 1 11 ? -1.585 1.880 -0.562 1.00 98.49 11 A 1 ATOM 81 O O . LEU A 1 11 ? -1.758 2.152 -1.749 1.00 98.43 11 A 1 ATOM 82 C CB . LEU A 1 11 ? -1.945 3.515 1.269 1.00 98.22 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -2.881 4.690 1.531 1.00 96.03 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -2.074 5.738 2.291 1.00 94.20 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -3.385 5.312 0.238 1.00 94.11 11 A 1 ATOM 86 N N . LEU A 1 12 ? -0.562 1.153 -0.124 1.00 98.39 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 0.440 0.602 -1.030 1.00 98.37 12 A 1 ATOM 88 C C . LEU A 1 12 ? -0.192 -0.386 -2.007 1.00 98.61 12 A 1 ATOM 89 O O . LEU A 1 12 ? 0.103 -0.353 -3.202 1.00 98.61 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 1.536 -0.084 -0.211 1.00 98.18 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 2.810 -0.310 -1.027 1.00 93.80 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 3.707 0.921 -0.974 1.00 92.04 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 3.567 -1.514 -0.493 1.00 92.73 12 A 1 ATOM 94 N N . ALA A 1 13 ? -1.070 -1.254 -1.515 1.00 98.48 13 A 1 ATOM 95 C CA . ALA A 1 13 ? -1.780 -2.218 -2.350 1.00 98.45 13 A 1 ATOM 96 C C . ALA A 1 13 ? -2.675 -1.514 -3.373 1.00 98.65 13 A 1 ATOM 97 O O . ALA A 1 13 ? -2.717 -1.919 -4.537 1.00 98.47 13 A 1 ATOM 98 C CB . ALA A 1 13 ? -2.593 -3.153 -1.455 1.00 98.09 13 A 1 ATOM 99 N N . ALA A 1 14 ? -3.354 -0.453 -2.965 1.00 98.52 14 A 1 ATOM 100 C CA . ALA A 1 14 ? -4.184 0.339 -3.869 1.00 98.46 14 A 1 ATOM 101 C C . ALA A 1 14 ? -3.338 1.012 -4.951 1.00 98.64 14 A 1 ATOM 102 O O . ALA A 1 14 ? -3.706 0.994 -6.126 1.00 98.45 14 A 1 ATOM 103 C CB . ALA A 1 14 ? -4.965 1.370 -3.058 1.00 98.11 14 A 1 ATOM 104 N N . ALA A 1 15 ? -2.188 1.566 -4.574 1.00 98.61 15 A 1 ATOM 105 C CA . ALA A 1 15 ? -1.267 2.180 -5.528 1.00 98.57 15 A 1 ATOM 106 C C . ALA A 1 15 ? -0.738 1.153 -6.534 1.00 98.66 15 A 1 ATOM 107 O O . ALA A 1 15 ? -0.708 1.425 -7.735 1.00 98.43 15 A 1 ATOM 108 C CB . ALA A 1 15 ? -0.120 2.841 -4.765 1.00 98.34 15 A 1 ATOM 109 N N . LEU A 1 16 ? -0.367 -0.030 -6.052 1.00 98.62 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 0.083 -1.123 -6.914 1.00 98.56 16 A 1 ATOM 111 C C . LEU A 1 16 ? -1.025 -1.594 -7.846 1.00 98.66 16 A 1 ATOM 112 O O . LEU A 1 16 ? -0.762 -1.848 -9.025 1.00 98.51 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 0.574 -2.290 -6.051 1.00 98.35 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 2.012 -2.117 -5.573 1.00 96.55 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 2.300 -3.074 -4.424 1.00 94.62 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 2.995 -2.387 -6.704 1.00 94.56 16 A 1 ATOM 117 N N . ALA A 1 17 ? -2.244 -1.690 -7.346 1.00 98.66 17 A 1 ATOM 118 C CA . ALA A 1 17 ? -3.392 -2.064 -8.162 1.00 98.55 17 A 1 ATOM 119 C C . ALA A 1 17 ? -3.633 -1.039 -9.272 1.00 98.64 17 A 1 ATOM 120 O O . ALA A 1 17 ? -3.836 -1.419 -10.423 1.00 98.35 17 A 1 ATOM 121 C CB . ALA A 1 17 ? -4.621 -2.217 -7.271 1.00 98.25 17 A 1 ATOM 122 N N . CYS A 1 18 ? -3.557 0.251 -8.953 1.00 98.58 18 A 1 ATOM 123 C CA . CYS A 1 18 ? -3.688 1.309 -9.952 1.00 98.54 18 A 1 ATOM 124 C C . CYS A 1 18 ? -2.587 1.220 -11.014 1.00 98.58 18 A 1 ATOM 125 O O . CYS A 1 18 ? -2.863 1.356 -12.201 1.00 98.12 18 A 1 ATOM 126 C CB . CYS A 1 18 ? -3.654 2.675 -9.265 1.00 98.18 18 A 1 ATOM 127 S SG . CYS A 1 18 ? -5.171 2.987 -8.347 1.00 95.06 18 A 1 ATOM 128 N N . LEU A 1 19 ? -1.347 0.971 -10.577 1.00 98.56 19 A 1 ATOM 129 C CA . LEU A 1 19 ? -0.211 0.848 -11.490 1.00 98.42 19 A 1 ATOM 130 C C . LEU A 1 19 ? -0.332 -0.401 -12.366 1.00 98.50 19 A 1 ATOM 131 O O . LEU A 1 19 ? -0.055 -0.350 -13.566 1.00 98.19 19 A 1 ATOM 132 C CB . LEU A 1 19 ? 1.085 0.843 -10.668 1.00 98.17 19 A 1 ATOM 133 C CG . LEU A 1 19 ? 2.265 1.534 -11.353 1.00 96.53 19 A 1 ATOM 134 C CD1 . LEU A 1 19 ? 3.390 1.752 -10.345 1.00 93.72 19 A 1 ATOM 135 C CD2 . LEU A 1 19 ? 2.805 0.745 -12.529 1.00 93.34 19 A 1 ATOM 136 N N . ALA A 1 20 ? -0.752 -1.521 -11.783 1.00 98.33 20 A 1 ATOM 137 C CA . ALA A 1 20 ? -0.926 -2.777 -12.513 1.00 98.10 20 A 1 ATOM 138 C C . ALA A 1 20 ? -2.114 -2.734 -13.477 1.00 98.20 20 A 1 ATOM 139 O O . ALA A 1 20 ? -2.129 -3.465 -14.468 1.00 97.56 20 A 1 ATOM 140 C CB . ALA A 1 20 ? -1.085 -3.917 -11.510 1.00 97.65 20 A 1 ATOM 141 N N . THR A 1 21 ? -3.093 -1.887 -13.202 1.00 97.78 21 A 1 ATOM 142 C CA . THR A 1 21 ? -4.293 -1.727 -14.035 1.00 97.11 21 A 1 ATOM 143 C C . THR A 1 21 ? -4.186 -0.492 -14.938 1.00 96.79 21 A 1 ATOM 144 O O . THR A 1 21 ? -5.195 0.011 -15.426 1.00 94.33 21 A 1 ATOM 145 C CB . THR A 1 21 ? -5.558 -1.674 -13.166 1.00 95.70 21 A 1 ATOM 146 O OG1 . THR A 1 21 ? -5.495 -2.638 -12.129 1.00 91.01 21 A 1 ATOM 147 C CG2 . THR A 1 21 ? -6.820 -1.991 -13.952 1.00 89.45 21 A 1 ATOM 148 N N . ALA A 1 22 ? -2.968 -0.018 -15.174 1.00 96.45 22 A 1 ATOM 149 C CA . ALA A 1 22 ? -2.703 1.126 -16.057 1.00 94.88 22 A 1 ATOM 150 C C . ALA A 1 22 ? -2.687 0.698 -17.529 1.00 93.39 22 A 1 ATOM 151 O O . ALA A 1 22 ? -2.042 1.328 -18.358 1.00 89.93 22 A 1 ATOM 152 C CB . ALA A 1 22 ? -1.402 1.792 -15.620 1.00 92.31 22 A 1 ATOM 153 O OXT . ALA A 1 22 ? -3.348 -0.292 -17.884 1.00 84.45 22 A 1 #