# 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_spkb12283 # _entry.id spkb12283 # 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" "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" "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" "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 PRO 2 1 n SER 3 1 n SER 4 1 n THR 5 1 n ALA 6 1 n MET 7 1 n ALA 8 1 n VAL 9 1 n GLY 10 1 n ALA 11 1 n LEU 12 1 n SER 13 1 n SER 14 1 n SER 15 1 n LEU 16 1 n LEU 17 1 n VAL 18 1 n THR 19 1 n CYS 20 1 n CYS 21 1 n LEU 22 1 n MET 23 1 n VAL 24 1 n ALA 25 1 n LEU 26 1 n CYS 27 # _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 @ 2025-07-09 23:01:16)" _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 89.68 _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 72.84 1 1 A PRO 2 2 79.57 1 2 A SER 3 2 82.85 1 3 A SER 4 2 85.57 1 4 A THR 5 2 87.73 1 5 A ALA 6 2 90.88 1 6 A MET 7 2 84.14 1 7 A ALA 8 2 91.38 1 8 A VAL 9 2 89.40 1 9 A GLY 10 2 90.19 1 10 A ALA 11 2 91.73 1 11 A LEU 12 2 88.99 1 12 A SER 13 2 91.07 1 13 A SER 14 2 91.69 1 14 A SER 15 2 92.85 1 15 A LEU 16 2 93.18 1 16 A LEU 17 2 92.78 1 17 A VAL 18 2 95.09 1 18 A THR 19 2 93.97 1 19 A CYS 20 2 94.51 1 20 A CYS 21 2 94.27 1 21 A LEU 22 2 91.84 1 22 A MET 23 2 90.04 1 23 A VAL 24 2 95.64 1 24 A ALA 25 2 96.01 1 25 A LEU 26 2 92.11 1 26 A CYS 27 2 86.91 1 27 # _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 PRO . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n MET . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n CYS . 27 A 27 # _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 ? -21.329 2.587 2.401 1.00 77.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.937 2.578 2.902 1.00 78.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -19.369 1.176 2.714 1.00 80.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -20.116 0.225 2.933 1.00 77.36 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.881 2.982 4.383 1.00 74.51 1 A 1 ATOM 6 C CG . MET A 1 1 ? -20.163 4.480 4.556 1.00 69.58 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.017 5.005 6.284 1.00 64.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.078 6.792 6.081 1.00 59.92 1 A 1 ATOM 9 N N . PRO A 1 2 ? -18.108 1.014 2.283 1.00 81.01 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -17.474 -0.302 2.200 1.00 82.06 2 A 1 ATOM 11 C C . PRO A 1 2 ? -17.380 -0.937 3.593 1.00 83.82 2 A 1 ATOM 12 O O . PRO A 1 2 ? -17.331 -0.235 4.607 1.00 79.08 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -16.098 -0.049 1.574 1.00 78.05 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -15.794 1.403 1.920 1.00 75.38 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -17.169 2.068 1.966 1.00 77.59 2 A 1 ATOM 16 N N . SER A 1 3 ? -17.368 -2.272 3.652 1.00 85.36 3 A 1 ATOM 17 C CA . SER A 1 3 ? -17.242 -2.988 4.924 1.00 86.24 3 A 1 ATOM 18 C C . SER A 1 3 ? -15.903 -2.662 5.595 1.00 87.34 3 A 1 ATOM 19 O O . SER A 1 3 ? -14.895 -2.420 4.928 1.00 84.17 3 A 1 ATOM 20 C CB . SER A 1 3 ? -17.412 -4.495 4.719 1.00 82.53 3 A 1 ATOM 21 O OG . SER A 1 3 ? -16.388 -5.017 3.899 1.00 71.46 3 A 1 ATOM 22 N N . SER A 1 4 ? -15.865 -2.685 6.932 1.00 87.89 4 A 1 ATOM 23 C CA . SER A 1 4 ? -14.642 -2.417 7.706 1.00 89.09 4 A 1 ATOM 24 C C . SER A 1 4 ? -13.486 -3.332 7.301 1.00 90.42 4 A 1 ATOM 25 O O . SER A 1 4 ? -12.334 -2.904 7.269 1.00 87.27 4 A 1 ATOM 26 C CB . SER A 1 4 ? -14.933 -2.591 9.197 1.00 85.46 4 A 1 ATOM 27 O OG . SER A 1 4 ? -16.077 -1.837 9.560 1.00 73.30 4 A 1 ATOM 28 N N . THR A 1 5 ? -13.788 -4.575 6.900 1.00 90.48 5 A 1 ATOM 29 C CA . THR A 1 5 ? -12.806 -5.553 6.414 1.00 92.14 5 A 1 ATOM 30 C C . THR A 1 5 ? -12.193 -5.132 5.079 1.00 92.89 5 A 1 ATOM 31 O O . THR A 1 5 ? -10.982 -5.214 4.914 1.00 91.60 5 A 1 ATOM 32 C CB . THR A 1 5 ? -13.452 -6.934 6.260 1.00 89.98 5 A 1 ATOM 33 O OG1 . THR A 1 5 ? -14.418 -7.144 7.268 1.00 79.31 5 A 1 ATOM 34 C CG2 . THR A 1 5 ? -12.428 -8.048 6.364 1.00 77.70 5 A 1 ATOM 35 N N . ALA A 1 6 ? -12.988 -4.637 4.130 1.00 90.82 6 A 1 ATOM 36 C CA . ALA A 1 6 ? -12.492 -4.157 2.842 1.00 91.46 6 A 1 ATOM 37 C C . ALA A 1 6 ? -11.595 -2.921 3.004 1.00 92.39 6 A 1 ATOM 38 O O . ALA A 1 6 ? -10.553 -2.828 2.358 1.00 90.70 6 A 1 ATOM 39 C CB . ALA A 1 6 ? -13.685 -3.872 1.923 1.00 89.04 6 A 1 ATOM 40 N N . MET A 1 7 ? -11.936 -1.997 3.909 1.00 91.16 7 A 1 ATOM 41 C CA . MET A 1 7 ? -11.086 -0.850 4.228 1.00 91.63 7 A 1 ATOM 42 C C . MET A 1 7 ? -9.771 -1.274 4.884 1.00 92.66 7 A 1 ATOM 43 O O . MET A 1 7 ? -8.723 -0.750 4.520 1.00 90.94 7 A 1 ATOM 44 C CB . MET A 1 7 ? -11.823 0.141 5.124 1.00 90.01 7 A 1 ATOM 45 C CG . MET A 1 7 ? -12.868 0.926 4.347 1.00 78.75 7 A 1 ATOM 46 S SD . MET A 1 7 ? -13.374 2.481 5.129 1.00 72.93 7 A 1 ATOM 47 C CE . MET A 1 7 ? -14.290 1.852 6.552 1.00 65.02 7 A 1 ATOM 48 N N . ALA A 1 8 ? -9.793 -2.234 5.806 1.00 91.07 8 A 1 ATOM 49 C CA . ALA A 1 8 ? -8.589 -2.727 6.473 1.00 91.73 8 A 1 ATOM 50 C C . ALA A 1 8 ? -7.622 -3.403 5.488 1.00 92.67 8 A 1 ATOM 51 O O . ALA A 1 8 ? -6.428 -3.106 5.499 1.00 90.98 8 A 1 ATOM 52 C CB . ALA A 1 8 ? -9.004 -3.680 7.599 1.00 90.45 8 A 1 ATOM 53 N N . VAL A 1 9 ? -8.122 -4.252 4.582 1.00 92.01 9 A 1 ATOM 54 C CA . VAL A 1 9 ? -7.307 -4.909 3.547 1.00 92.21 9 A 1 ATOM 55 C C . VAL A 1 9 ? -6.740 -3.888 2.560 1.00 93.33 9 A 1 ATOM 56 O O . VAL A 1 9 ? -5.556 -3.943 2.231 1.00 91.89 9 A 1 ATOM 57 C CB . VAL A 1 9 ? -8.126 -5.992 2.829 1.00 90.31 9 A 1 ATOM 58 C CG1 . VAL A 1 9 ? -7.371 -6.595 1.649 1.00 82.18 9 A 1 ATOM 59 C CG2 . VAL A 1 9 ? -8.461 -7.129 3.790 1.00 83.88 9 A 1 ATOM 60 N N . GLY A 1 10 ? -7.543 -2.919 2.130 1.00 89.98 10 A 1 ATOM 61 C CA . GLY A 1 10 ? -7.088 -1.837 1.252 1.00 89.26 10 A 1 ATOM 62 C C . GLY A 1 10 ? -6.003 -0.974 1.896 1.00 90.91 10 A 1 ATOM 63 O O . GLY A 1 10 ? -4.998 -0.667 1.253 1.00 90.60 10 A 1 ATOM 64 N N . ALA A 1 11 ? -6.142 -0.631 3.179 1.00 91.56 11 A 1 ATOM 65 C CA . ALA A 1 11 ? -5.158 0.147 3.927 1.00 91.89 11 A 1 ATOM 66 C C . ALA A 1 11 ? -3.834 -0.611 4.093 1.00 93.13 11 A 1 ATOM 67 O O . ALA A 1 11 ? -2.772 -0.034 3.864 1.00 91.51 11 A 1 ATOM 68 C CB . ALA A 1 11 ? -5.755 0.534 5.284 1.00 90.55 11 A 1 ATOM 69 N N . LEU A 1 12 ? -3.872 -1.909 4.412 1.00 93.67 12 A 1 ATOM 70 C CA . LEU A 1 12 ? -2.674 -2.746 4.532 1.00 93.08 12 A 1 ATOM 71 C C . LEU A 1 12 ? -1.935 -2.875 3.199 1.00 94.72 12 A 1 ATOM 72 O O . LEU A 1 12 ? -0.718 -2.688 3.155 1.00 94.27 12 A 1 ATOM 73 C CB . LEU A 1 12 ? -3.070 -4.131 5.063 1.00 92.34 12 A 1 ATOM 74 C CG . LEU A 1 12 ? -3.408 -4.148 6.562 1.00 84.53 12 A 1 ATOM 75 C CD1 . LEU A 1 12 ? -4.060 -5.476 6.925 1.00 79.87 12 A 1 ATOM 76 C CD2 . LEU A 1 12 ? -2.157 -3.971 7.419 1.00 79.43 12 A 1 ATOM 77 N N . SER A 1 13 ? -2.648 -3.133 2.104 1.00 93.30 13 A 1 ATOM 78 C CA . SER A 1 13 ? -2.059 -3.229 0.763 1.00 93.57 13 A 1 ATOM 79 C C . SER A 1 13 ? -1.419 -1.910 0.323 1.00 94.35 13 A 1 ATOM 80 O O . SER A 1 13 ? -0.287 -1.896 -0.160 1.00 93.31 13 A 1 ATOM 81 C CB . SER A 1 13 ? -3.136 -3.660 -0.231 1.00 91.63 13 A 1 ATOM 82 O OG . SER A 1 13 ? -2.557 -3.881 -1.500 1.00 80.25 13 A 1 ATOM 83 N N . SER A 1 14 ? -2.083 -0.784 0.559 1.00 94.10 14 A 1 ATOM 84 C CA . SER A 1 14 ? -1.555 0.545 0.239 1.00 94.56 14 A 1 ATOM 85 C C . SER A 1 14 ? -0.328 0.882 1.087 1.00 95.72 14 A 1 ATOM 86 O O . SER A 1 14 ? 0.652 1.402 0.565 1.00 93.73 14 A 1 ATOM 87 C CB . SER A 1 14 ? -2.626 1.614 0.438 1.00 91.77 14 A 1 ATOM 88 O OG . SER A 1 14 ? -3.750 1.347 -0.379 1.00 80.26 14 A 1 ATOM 89 N N . SER A 1 15 ? -0.333 0.543 2.380 1.00 94.27 15 A 1 ATOM 90 C CA . SER A 1 15 ? 0.799 0.777 3.282 1.00 95.10 15 A 1 ATOM 91 C C . SER A 1 15 ? 2.033 -0.024 2.868 1.00 96.13 15 A 1 ATOM 92 O O . SER A 1 15 ? 3.139 0.510 2.886 1.00 94.61 15 A 1 ATOM 93 C CB . SER A 1 15 ? 0.428 0.428 4.723 1.00 93.17 15 A 1 ATOM 94 O OG . SER A 1 15 ? -0.653 1.228 5.162 1.00 83.83 15 A 1 ATOM 95 N N . LEU A 1 16 ? 1.861 -1.282 2.439 1.00 96.15 16 A 1 ATOM 96 C CA . LEU A 1 16 ? 2.952 -2.105 1.912 1.00 96.11 16 A 1 ATOM 97 C C . LEU A 1 16 ? 3.562 -1.493 0.651 1.00 96.97 16 A 1 ATOM 98 O O . LEU A 1 16 ? 4.782 -1.355 0.577 1.00 96.60 16 A 1 ATOM 99 C CB . LEU A 1 16 ? 2.436 -3.525 1.638 1.00 95.48 16 A 1 ATOM 100 C CG . LEU A 1 16 ? 2.513 -4.430 2.875 1.00 89.59 16 A 1 ATOM 101 C CD1 . LEU A 1 16 ? 1.588 -5.631 2.706 1.00 87.17 16 A 1 ATOM 102 C CD2 . LEU A 1 16 ? 3.936 -4.933 3.091 1.00 87.39 16 A 1 ATOM 103 N N . LEU A 1 17 ? 2.741 -1.061 -0.303 1.00 96.03 17 A 1 ATOM 104 C CA . LEU A 1 17 ? 3.214 -0.413 -1.525 1.00 95.84 17 A 1 ATOM 105 C C . LEU A 1 17 ? 3.983 0.878 -1.226 1.00 96.67 17 A 1 ATOM 106 O O . LEU A 1 17 ? 5.080 1.071 -1.746 1.00 96.46 17 A 1 ATOM 107 C CB . LEU A 1 17 ? 2.021 -0.127 -2.447 1.00 95.11 17 A 1 ATOM 108 C CG . LEU A 1 17 ? 1.484 -1.368 -3.174 1.00 88.46 17 A 1 ATOM 109 C CD1 . LEU A 1 17 ? 0.149 -1.035 -3.839 1.00 86.73 17 A 1 ATOM 110 C CD2 . LEU A 1 17 ? 2.457 -1.848 -4.254 1.00 86.98 17 A 1 ATOM 111 N N . VAL A 1 18 ? 3.453 1.729 -0.348 1.00 95.80 18 A 1 ATOM 112 C CA . VAL A 1 18 ? 4.121 2.970 0.065 1.00 95.89 18 A 1 ATOM 113 C C . VAL A 1 18 ? 5.455 2.664 0.747 1.00 96.52 18 A 1 ATOM 114 O O . VAL A 1 18 ? 6.459 3.291 0.420 1.00 96.12 18 A 1 ATOM 115 C CB . VAL A 1 18 ? 3.209 3.805 0.974 1.00 95.21 18 A 1 ATOM 116 C CG1 . VAL A 1 18 ? 3.935 5.000 1.595 1.00 93.01 18 A 1 ATOM 117 C CG2 . VAL A 1 18 ? 2.028 4.362 0.171 1.00 93.09 18 A 1 ATOM 118 N N . THR A 1 19 ? 5.502 1.674 1.637 1.00 95.74 19 A 1 ATOM 119 C CA . THR A 1 19 ? 6.738 1.271 2.323 1.00 95.54 19 A 1 ATOM 120 C C . THR A 1 19 ? 7.782 0.752 1.334 1.00 96.32 19 A 1 ATOM 121 O O . THR A 1 19 ? 8.945 1.144 1.422 1.00 95.50 19 A 1 ATOM 122 C CB . THR A 1 19 ? 6.455 0.204 3.388 1.00 94.61 19 A 1 ATOM 123 O OG1 . THR A 1 19 ? 5.495 0.671 4.307 1.00 90.36 19 A 1 ATOM 124 C CG2 . THR A 1 19 ? 7.701 -0.142 4.207 1.00 89.74 19 A 1 ATOM 125 N N . CYS A 1 20 ? 7.395 -0.070 0.352 1.00 95.33 20 A 1 ATOM 126 C CA . CYS A 1 20 ? 8.300 -0.533 -0.699 1.00 95.31 20 A 1 ATOM 127 C C . CYS A 1 20 ? 8.855 0.632 -1.529 1.00 96.14 20 A 1 ATOM 128 O O . CYS A 1 20 ? 10.061 0.696 -1.748 1.00 95.39 20 A 1 ATOM 129 C CB . CYS A 1 20 ? 7.572 -1.534 -1.603 1.00 94.44 20 A 1 ATOM 130 S SG . CYS A 1 20 ? 7.278 -3.093 -0.730 1.00 90.45 20 A 1 ATOM 131 N N . CYS A 1 21 ? 8.011 1.582 -1.940 1.00 94.42 21 A 1 ATOM 132 C CA . CYS A 1 21 ? 8.456 2.771 -2.669 1.00 94.96 21 A 1 ATOM 133 C C . CYS A 1 21 ? 9.431 3.619 -1.843 1.00 95.64 21 A 1 ATOM 134 O O . CYS A 1 21 ? 10.428 4.096 -2.374 1.00 94.68 21 A 1 ATOM 135 C CB . CYS A 1 21 ? 7.236 3.604 -3.072 1.00 94.23 21 A 1 ATOM 136 S SG . CYS A 1 21 ? 6.260 2.757 -4.344 1.00 91.70 21 A 1 ATOM 137 N N . LEU A 1 22 ? 9.163 3.777 -0.535 1.00 95.07 22 A 1 ATOM 138 C CA . LEU A 1 22 ? 10.032 4.527 0.374 1.00 94.73 22 A 1 ATOM 139 C C . LEU A 1 22 ? 11.394 3.848 0.541 1.00 95.67 22 A 1 ATOM 140 O O . LEU A 1 22 ? 12.422 4.521 0.492 1.00 95.55 22 A 1 ATOM 141 C CB . LEU A 1 22 ? 9.325 4.692 1.732 1.00 94.20 22 A 1 ATOM 142 C CG . LEU A 1 22 ? 9.376 6.140 2.256 1.00 87.13 22 A 1 ATOM 143 C CD1 . LEU A 1 22 ? 7.961 6.687 2.443 1.00 85.94 22 A 1 ATOM 144 C CD2 . LEU A 1 22 ? 10.107 6.220 3.593 1.00 86.43 22 A 1 ATOM 145 N N . MET A 1 23 ? 11.419 2.518 0.689 1.00 94.74 23 A 1 ATOM 146 C CA . MET A 1 23 ? 12.669 1.752 0.780 1.00 94.68 23 A 1 ATOM 147 C C . MET A 1 23 ? 13.504 1.876 -0.494 1.00 95.29 23 A 1 ATOM 148 O O . MET A 1 23 ? 14.702 2.130 -0.410 1.00 94.57 23 A 1 ATOM 149 C CB . MET A 1 23 ? 12.362 0.281 1.088 1.00 93.77 23 A 1 ATOM 150 C CG . MET A 1 23 ? 11.922 0.106 2.551 1.00 89.49 23 A 1 ATOM 151 S SD . MET A 1 23 ? 13.264 0.358 3.731 1.00 84.16 23 A 1 ATOM 152 C CE . MET A 1 23 ? 12.311 0.532 5.254 1.00 73.61 23 A 1 ATOM 153 N N . VAL A 1 24 ? 12.884 1.774 -1.674 1.00 96.61 24 A 1 ATOM 154 C CA . VAL A 1 24 ? 13.581 1.970 -2.961 1.00 96.28 24 A 1 ATOM 155 C C . VAL A 1 24 ? 14.121 3.398 -3.093 1.00 96.68 24 A 1 ATOM 156 O O . VAL A 1 24 ? 15.232 3.579 -3.578 1.00 96.36 24 A 1 ATOM 157 C CB . VAL A 1 24 ? 12.651 1.615 -4.135 1.00 95.55 24 A 1 ATOM 158 C CG1 . VAL A 1 24 ? 13.252 1.967 -5.500 1.00 94.08 24 A 1 ATOM 159 C CG2 . VAL A 1 24 ? 12.360 0.110 -4.149 1.00 93.91 24 A 1 ATOM 160 N N . ALA A 1 25 ? 13.380 4.405 -2.628 1.00 96.32 25 A 1 ATOM 161 C CA . ALA A 1 25 ? 13.822 5.803 -2.687 1.00 96.33 25 A 1 ATOM 162 C C . ALA A 1 25 ? 14.968 6.124 -1.705 1.00 96.55 25 A 1 ATOM 163 O O . ALA A 1 25 ? 15.701 7.088 -1.928 1.00 95.24 25 A 1 ATOM 164 C CB . ALA A 1 25 ? 12.607 6.704 -2.433 1.00 95.61 25 A 1 ATOM 165 N N . LEU A 1 26 ? 15.113 5.349 -0.620 1.00 95.83 26 A 1 ATOM 166 C CA . LEU A 1 26 ? 16.161 5.529 0.390 1.00 95.37 26 A 1 ATOM 167 C C . LEU A 1 26 ? 17.447 4.752 0.071 1.00 95.58 26 A 1 ATOM 168 O O . LEU A 1 26 ? 18.482 5.046 0.676 1.00 94.27 26 A 1 ATOM 169 C CB . LEU A 1 26 ? 15.608 5.107 1.765 1.00 94.37 26 A 1 ATOM 170 C CG . LEU A 1 26 ? 14.577 6.080 2.365 1.00 90.14 26 A 1 ATOM 171 C CD1 . LEU A 1 26 ? 13.937 5.441 3.599 1.00 86.36 26 A 1 ATOM 172 C CD2 . LEU A 1 26 ? 15.212 7.404 2.794 1.00 84.99 26 A 1 ATOM 173 N N . CYS A 1 27 ? 17.395 3.778 -0.844 1.00 94.33 27 A 1 ATOM 174 C CA . CYS A 1 27 ? 18.563 3.009 -1.298 1.00 92.41 27 A 1 ATOM 175 C C . CYS A 1 27 ? 19.295 3.725 -2.435 1.00 89.51 27 A 1 ATOM 176 O O . CYS A 1 27 ? 20.536 3.654 -2.461 1.00 87.36 27 A 1 ATOM 177 C CB . CYS A 1 27 ? 18.119 1.608 -1.740 1.00 86.76 27 A 1 ATOM 178 S SG . CYS A 1 27 ? 17.633 0.589 -0.318 1.00 79.75 27 A 1 ATOM 179 O OXT . CYS A 1 27 ? 18.602 4.330 -3.307 1.00 78.24 27 A 1 #