# 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_spkb36422 # _entry.id spkb36422 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" "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 LEU 2 1 n ALA 3 1 n SER 4 1 n CYS 5 1 n HIS 6 1 n ILE 7 1 n THR 8 1 n SER 9 1 n LEU 10 1 n SER 11 1 n GLY 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n CYS 18 1 n VAL 19 1 n GLN 20 1 n CYS 21 1 n SER 22 1 n ALA 23 # _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 @ 2025-07-05 08:21:17)" _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 78.35 _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 58.62 1 1 A LEU 2 2 57.65 1 2 A ALA 3 2 70.43 1 3 A SER 4 2 72.47 1 4 A CYS 5 2 74.95 1 5 A HIS 6 2 66.23 1 6 A ILE 7 2 76.03 1 7 A THR 8 2 75.10 1 8 A SER 9 2 79.91 1 9 A LEU 10 2 81.11 1 10 A SER 11 2 85.78 1 11 A GLY 12 2 89.17 1 12 A ILE 13 2 85.64 1 13 A LEU 14 2 86.09 1 14 A LEU 15 2 84.88 1 15 A LEU 16 2 85.40 1 16 A LEU 17 2 85.06 1 17 A CYS 18 2 83.15 1 18 A VAL 19 2 85.80 1 19 A GLN 20 2 84.27 1 20 A CYS 21 2 81.75 1 21 A SER 22 2 81.81 1 22 A ALA 23 2 78.86 1 23 # _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 LEU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -5.562 -14.340 0.515 1.00 59.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.256 -13.620 1.764 1.00 64.71 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.105 -12.131 1.498 1.00 65.94 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.475 -11.741 0.518 1.00 62.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.968 -14.157 2.394 1.00 59.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.211 -15.421 3.201 1.00 56.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.870 -15.749 4.350 1.00 53.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.645 -16.979 5.397 1.00 46.95 1 A 1 ATOM 9 N N . LEU A 1 2 ? -5.689 -11.311 2.340 1.00 57.20 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -5.619 -9.863 2.200 1.00 62.13 2 A 1 ATOM 11 C C . LEU A 1 2 ? -4.603 -9.288 3.173 1.00 66.55 2 A 1 ATOM 12 O O . LEU A 1 2 ? -4.601 -9.638 4.352 1.00 62.94 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -6.994 -9.246 2.451 1.00 57.48 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -7.258 -7.976 1.654 1.00 53.49 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -7.715 -8.321 0.243 1.00 51.38 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -8.309 -7.125 2.345 1.00 50.03 2 A 1 ATOM 17 N N . ALA A 1 3 ? -3.748 -8.414 2.671 1.00 67.69 3 A 1 ATOM 18 C CA . ALA A 1 3 ? -2.722 -7.787 3.494 1.00 71.54 3 A 1 ATOM 19 C C . ALA A 1 3 ? -3.142 -6.373 3.882 1.00 73.19 3 A 1 ATOM 20 O O . ALA A 1 3 ? -3.834 -5.692 3.126 1.00 71.00 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -1.393 -7.769 2.749 1.00 68.75 3 A 1 ATOM 22 N N . SER A 1 4 ? -2.724 -5.954 5.060 1.00 73.21 4 A 1 ATOM 23 C CA . SER A 1 4 ? -3.034 -4.619 5.550 1.00 75.43 4 A 1 ATOM 24 C C . SER A 1 4 ? -2.124 -3.590 4.891 1.00 76.14 4 A 1 ATOM 25 O O . SER A 1 4 ? -0.902 -3.704 4.955 1.00 73.29 4 A 1 ATOM 26 C CB . SER A 1 4 ? -2.883 -4.563 7.065 1.00 72.72 4 A 1 ATOM 27 O OG . SER A 1 4 ? -3.307 -3.311 7.560 1.00 64.03 4 A 1 ATOM 28 N N . CYS A 1 5 ? -2.732 -2.598 4.255 1.00 76.40 5 A 1 ATOM 29 C CA . CYS A 1 5 ? -1.970 -1.563 3.571 1.00 77.27 5 A 1 ATOM 30 C C . CYS A 1 5 ? -2.301 -0.196 4.153 1.00 78.07 5 A 1 ATOM 31 O O . CYS A 1 5 ? -3.454 0.221 4.150 1.00 73.73 5 A 1 ATOM 32 C CB . CYS A 1 5 ? -2.271 -1.600 2.077 1.00 74.86 5 A 1 ATOM 33 S SG . CYS A 1 5 ? -0.922 -0.917 1.099 1.00 69.34 5 A 1 ATOM 34 N N . HIS A 1 6 ? -1.290 0.479 4.653 1.00 70.87 6 A 1 ATOM 35 C CA . HIS A 1 6 ? -1.452 1.798 5.249 1.00 71.21 6 A 1 ATOM 36 C C . HIS A 1 6 ? -1.137 2.891 4.231 1.00 71.85 6 A 1 ATOM 37 O O . HIS A 1 6 ? -0.102 2.865 3.578 1.00 71.83 6 A 1 ATOM 38 C CB . HIS A 1 6 ? -0.565 1.936 6.485 1.00 70.20 6 A 1 ATOM 39 C CG . HIS A 1 6 ? 0.869 1.571 6.274 1.00 66.29 6 A 1 ATOM 40 N ND1 . HIS A 1 6 ? 1.900 2.462 6.419 1.00 58.92 6 A 1 ATOM 41 C CD2 . HIS A 1 6 ? 1.433 0.389 5.930 1.00 60.72 6 A 1 ATOM 42 C CE1 . HIS A 1 6 ? 3.038 1.828 6.167 1.00 59.95 6 A 1 ATOM 43 N NE2 . HIS A 1 6 ? 2.787 0.571 5.868 1.00 60.51 6 A 1 ATOM 44 N N . ILE A 1 7 ? -2.034 3.852 4.105 1.00 77.91 7 A 1 ATOM 45 C CA . ILE A 1 7 ? -1.884 4.941 3.139 1.00 78.93 7 A 1 ATOM 46 C C . ILE A 1 7 ? -1.395 6.211 3.838 1.00 78.92 7 A 1 ATOM 47 O O . ILE A 1 7 ? -2.057 7.251 3.828 1.00 75.96 7 A 1 ATOM 48 C CB . ILE A 1 7 ? -3.205 5.199 2.395 1.00 77.71 7 A 1 ATOM 49 C CG1 . ILE A 1 7 ? -3.853 3.891 1.937 1.00 75.33 7 A 1 ATOM 50 C CG2 . ILE A 1 7 ? -2.956 6.101 1.181 1.00 75.20 7 A 1 ATOM 51 C CD1 . ILE A 1 7 ? -5.297 4.049 1.512 1.00 68.30 7 A 1 ATOM 52 N N . THR A 1 8 ? -0.242 6.106 4.459 1.00 78.58 8 A 1 ATOM 53 C CA . THR A 1 8 ? 0.347 7.235 5.180 1.00 77.33 8 A 1 ATOM 54 C C . THR A 1 8 ? 1.766 7.528 4.693 1.00 78.40 8 A 1 ATOM 55 O O . THR A 1 8 ? 2.553 8.169 5.391 1.00 76.42 8 A 1 ATOM 56 C CB . THR A 1 8 ? 0.358 6.973 6.693 1.00 76.02 8 A 1 ATOM 57 O OG1 . THR A 1 8 ? 0.901 5.689 6.956 1.00 69.97 8 A 1 ATOM 58 C CG2 . THR A 1 8 ? -1.036 7.068 7.273 1.00 69.01 8 A 1 ATOM 59 N N . SER A 1 9 ? 2.079 7.061 3.500 1.00 80.33 9 A 1 ATOM 60 C CA . SER A 1 9 ? 3.406 7.250 2.931 1.00 82.04 9 A 1 ATOM 61 C C . SER A 1 9 ? 3.461 8.507 2.062 1.00 83.20 9 A 1 ATOM 62 O O . SER A 1 9 ? 2.479 8.865 1.415 1.00 81.89 9 A 1 ATOM 63 C CB . SER A 1 9 ? 3.809 6.027 2.112 1.00 80.62 9 A 1 ATOM 64 O OG . SER A 1 9 ? 4.012 4.909 2.950 1.00 71.40 9 A 1 ATOM 65 N N . LEU A 1 10 ? 4.613 9.154 2.047 1.00 83.55 10 A 1 ATOM 66 C CA . LEU A 1 10 ? 4.822 10.364 1.253 1.00 84.57 10 A 1 ATOM 67 C C . LEU A 1 10 ? 5.480 10.033 -0.084 1.00 86.71 10 A 1 ATOM 68 O O . LEU A 1 10 ? 6.471 10.647 -0.485 1.00 85.97 10 A 1 ATOM 69 C CB . LEU A 1 10 ? 5.670 11.360 2.053 1.00 83.03 10 A 1 ATOM 70 C CG . LEU A 1 10 ? 4.858 12.440 2.758 1.00 77.96 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? 5.576 12.923 4.008 1.00 74.50 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? 4.617 13.607 1.810 1.00 72.56 10 A 1 ATOM 73 N N . SER A 1 11 ? 4.918 9.052 -0.765 1.00 86.37 11 A 1 ATOM 74 C CA . SER A 1 11 ? 5.444 8.612 -2.049 1.00 87.69 11 A 1 ATOM 75 C C . SER A 1 11 ? 4.309 8.153 -2.954 1.00 88.81 11 A 1 ATOM 76 O O . SER A 1 11 ? 3.505 7.309 -2.565 1.00 87.05 11 A 1 ATOM 77 C CB . SER A 1 11 ? 6.457 7.486 -1.844 1.00 85.72 11 A 1 ATOM 78 O OG . SER A 1 11 ? 7.139 7.207 -3.046 1.00 79.04 11 A 1 ATOM 79 N N . GLY A 1 12 ? 4.257 8.723 -4.151 1.00 87.63 12 A 1 ATOM 80 C CA . GLY A 1 12 ? 3.214 8.366 -5.107 1.00 88.71 12 A 1 ATOM 81 C C . GLY A 1 12 ? 3.299 6.924 -5.556 1.00 91.03 12 A 1 ATOM 82 O O . GLY A 1 12 ? 2.277 6.265 -5.741 1.00 89.31 12 A 1 ATOM 83 N N . ILE A 1 13 ? 4.517 6.438 -5.707 1.00 86.02 13 A 1 ATOM 84 C CA . ILE A 1 13 ? 4.743 5.053 -6.127 1.00 86.73 13 A 1 ATOM 85 C C . ILE A 1 13 ? 4.286 4.080 -5.049 1.00 87.73 13 A 1 ATOM 86 O O . ILE A 1 13 ? 3.612 3.088 -5.335 1.00 85.66 13 A 1 ATOM 87 C CB . ILE A 1 13 ? 6.226 4.816 -6.470 1.00 87.30 13 A 1 ATOM 88 C CG1 . ILE A 1 13 ? 6.707 5.818 -7.525 1.00 85.93 13 A 1 ATOM 89 C CG2 . ILE A 1 13 ? 6.427 3.385 -6.974 1.00 85.40 13 A 1 ATOM 90 C CD1 . ILE A 1 13 ? 8.215 5.871 -7.659 1.00 80.32 13 A 1 ATOM 91 N N . LEU A 1 14 ? 4.646 4.377 -3.817 1.00 87.80 14 A 1 ATOM 92 C CA . LEU A 1 14 ? 4.260 3.528 -2.691 1.00 88.13 14 A 1 ATOM 93 C C . LEU A 1 14 ? 2.757 3.588 -2.455 1.00 89.50 14 A 1 ATOM 94 O O . LEU A 1 14 ? 2.140 2.587 -2.093 1.00 88.37 14 A 1 ATOM 95 C CB . LEU A 1 14 ? 5.006 3.955 -1.426 1.00 87.32 14 A 1 ATOM 96 C CG . LEU A 1 14 ? 6.483 3.578 -1.399 1.00 84.52 14 A 1 ATOM 97 C CD1 . LEU A 1 14 ? 7.174 4.219 -0.208 1.00 81.72 14 A 1 ATOM 98 C CD2 . LEU A 1 14 ? 6.649 2.065 -1.340 1.00 81.34 14 A 1 ATOM 99 N N . LEU A 1 15 ? 2.180 4.753 -2.679 1.00 86.42 15 A 1 ATOM 100 C CA . LEU A 1 15 ? 0.741 4.935 -2.524 1.00 86.94 15 A 1 ATOM 101 C C . LEU A 1 15 ? -0.008 4.114 -3.566 1.00 88.32 15 A 1 ATOM 102 O O . LEU A 1 15 ? -1.018 3.481 -3.258 1.00 87.12 15 A 1 ATOM 103 C CB . LEU A 1 15 ? 0.395 6.421 -2.640 1.00 86.27 15 A 1 ATOM 104 C CG . LEU A 1 15 ? -0.961 6.800 -2.060 1.00 82.65 15 A 1 ATOM 105 C CD1 . LEU A 1 15 ? -0.872 8.143 -1.349 1.00 80.70 15 A 1 ATOM 106 C CD2 . LEU A 1 15 ? -2.022 6.857 -3.146 1.00 80.64 15 A 1 ATOM 107 N N . LEU A 1 16 ? 0.497 4.110 -4.787 1.00 86.71 16 A 1 ATOM 108 C CA . LEU A 1 16 ? -0.096 3.327 -5.868 1.00 87.32 16 A 1 ATOM 109 C C . LEU A 1 16 ? -0.026 1.840 -5.551 1.00 88.39 16 A 1 ATOM 110 O O . LEU A 1 16 ? -0.983 1.101 -5.790 1.00 87.22 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 0.632 3.625 -7.181 1.00 86.90 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 0.012 2.976 -8.414 1.00 83.25 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? -1.286 3.683 -8.797 1.00 81.53 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 0.981 3.010 -9.578 1.00 81.91 16 A 1 ATOM 115 N N . LEU A 1 17 ? 1.098 1.419 -5.011 1.00 87.17 17 A 1 ATOM 116 C CA . LEU A 1 17 ? 1.288 0.028 -4.620 1.00 87.18 17 A 1 ATOM 117 C C . LEU A 1 17 ? 0.315 -0.349 -3.507 1.00 88.38 17 A 1 ATOM 118 O O . LEU A 1 17 ? -0.206 -1.460 -3.475 1.00 87.45 17 A 1 ATOM 119 C CB . LEU A 1 17 ? 2.732 -0.190 -4.155 1.00 86.62 17 A 1 ATOM 120 C CG . LEU A 1 17 ? 3.162 -1.652 -4.092 1.00 82.58 17 A 1 ATOM 121 C CD1 . LEU A 1 17 ? 3.486 -2.172 -5.492 1.00 80.38 17 A 1 ATOM 122 C CD2 . LEU A 1 17 ? 4.376 -1.809 -3.192 1.00 80.74 17 A 1 ATOM 123 N N . CYS A 1 18 ? 0.068 0.591 -2.622 1.00 84.35 18 A 1 ATOM 124 C CA . CYS A 1 18 ? -0.859 0.379 -1.518 1.00 84.58 18 A 1 ATOM 125 C C . CYS A 1 18 ? -2.281 0.177 -2.034 1.00 84.89 18 A 1 ATOM 126 O O . CYS A 1 18 ? -2.999 -0.707 -1.576 1.00 82.58 18 A 1 ATOM 127 C CB . CYS A 1 18 ? -0.796 1.565 -0.555 1.00 83.04 18 A 1 ATOM 128 S SG . CYS A 1 18 ? -1.386 1.165 1.089 1.00 79.46 18 A 1 ATOM 129 N N . VAL A 1 19 ? -2.668 0.991 -3.011 1.00 87.25 19 A 1 ATOM 130 C CA . VAL A 1 19 ? -3.992 0.875 -3.620 1.00 87.33 19 A 1 ATOM 131 C C . VAL A 1 19 ? -4.138 -0.472 -4.318 1.00 87.54 19 A 1 ATOM 132 O O . VAL A 1 19 ? -5.185 -1.118 -4.230 1.00 86.44 19 A 1 ATOM 133 C CB . VAL A 1 19 ? -4.236 2.026 -4.610 1.00 86.36 19 A 1 ATOM 134 C CG1 . VAL A 1 19 ? -5.561 1.847 -5.339 1.00 82.03 19 A 1 ATOM 135 C CG2 . VAL A 1 19 ? -4.230 3.365 -3.887 1.00 83.66 19 A 1 ATOM 136 N N . GLN A 1 20 ? -3.086 -0.893 -4.993 1.00 87.26 20 A 1 ATOM 137 C CA . GLN A 1 20 ? -3.091 -2.184 -5.679 1.00 88.22 20 A 1 ATOM 138 C C . GLN A 1 20 ? -3.165 -3.340 -4.686 1.00 88.06 20 A 1 ATOM 139 O O . GLN A 1 20 ? -3.785 -4.362 -4.970 1.00 86.58 20 A 1 ATOM 140 C CB . GLN A 1 20 ? -1.843 -2.313 -6.550 1.00 87.45 20 A 1 ATOM 141 C CG . GLN A 1 20 ? -1.955 -1.509 -7.832 1.00 82.94 20 A 1 ATOM 142 C CD . GLN A 1 20 ? -0.773 -1.733 -8.746 1.00 82.65 20 A 1 ATOM 143 O OE1 . GLN A 1 20 ? -0.529 -2.841 -9.210 1.00 77.90 20 A 1 ATOM 144 N NE2 . GLN A 1 20 ? -0.019 -0.692 -9.027 1.00 77.36 20 A 1 ATOM 145 N N . CYS A 1 21 ? -2.556 -3.168 -3.533 1.00 83.68 21 A 1 ATOM 146 C CA . CYS A 1 21 ? -2.593 -4.185 -2.486 1.00 83.39 21 A 1 ATOM 147 C C . CYS A 1 21 ? -4.002 -4.331 -1.922 1.00 84.16 21 A 1 ATOM 148 O O . CYS A 1 21 ? -4.412 -5.420 -1.518 1.00 80.55 21 A 1 ATOM 149 C CB . CYS A 1 21 ? -1.609 -3.821 -1.372 1.00 81.95 21 A 1 ATOM 150 S SG . CYS A 1 21 ? -1.311 -5.196 -0.247 1.00 76.78 21 A 1 ATOM 151 N N . SER A 1 22 ? -4.730 -3.225 -1.902 1.00 85.26 22 A 1 ATOM 152 C CA . SER A 1 22 ? -6.102 -3.216 -1.406 1.00 84.39 22 A 1 ATOM 153 C C . SER A 1 22 ? -7.093 -3.690 -2.470 1.00 83.38 22 A 1 ATOM 154 O O . SER A 1 22 ? -8.221 -4.068 -2.152 1.00 81.48 22 A 1 ATOM 155 C CB . SER A 1 22 ? -6.477 -1.813 -0.930 1.00 82.58 22 A 1 ATOM 156 O OG . SER A 1 22 ? -7.674 -1.838 -0.194 1.00 73.79 22 A 1 ATOM 157 N N . ALA A 1 23 ? -6.663 -3.660 -3.725 1.00 83.75 23 A 1 ATOM 158 C CA . ALA A 1 23 ? -7.503 -4.065 -4.849 1.00 83.54 23 A 1 ATOM 159 C C . ALA A 1 23 ? -7.360 -5.559 -5.125 1.00 81.08 23 A 1 ATOM 160 O O . ALA A 1 23 ? -8.309 -6.156 -5.661 1.00 76.84 23 A 1 ATOM 161 C CB . ALA A 1 23 ? -7.147 -3.255 -6.093 1.00 77.43 23 A 1 ATOM 162 O OXT . ALA A 1 23 ? -6.304 -6.123 -4.827 1.00 70.54 23 A 1 #