# 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_spkb43917 # _entry.id spkb43917 # 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" "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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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 ILE 2 1 n MET 3 1 n LYS 4 1 n ASN 5 1 n CYS 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n GLY 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n MET 14 1 n GLY 15 1 n PHE 16 1 n THR 17 1 n GLY 18 1 n VAL 19 1 n ALA 20 1 n MET 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 @ 2025-07-07 23:28:19)" _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 91.84 _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 84.67 1 1 A ILE 2 2 89.26 1 2 A MET 3 2 89.50 1 3 A LYS 4 2 88.37 1 4 A ASN 5 2 91.62 1 5 A CYS 6 2 96.11 1 6 A LEU 7 2 93.08 1 7 A LEU 8 2 93.88 1 8 A LEU 9 2 93.10 1 9 A GLY 10 2 96.52 1 10 A ALA 11 2 97.10 1 11 A LEU 12 2 95.21 1 12 A LEU 13 2 94.88 1 13 A MET 14 2 90.40 1 14 A GLY 15 2 96.45 1 15 A PHE 16 2 91.20 1 16 A THR 17 2 94.09 1 17 A GLY 18 2 95.10 1 18 A VAL 19 2 92.39 1 19 A ALA 20 2 94.43 1 20 A MET 21 2 87.46 1 21 A ALA 22 2 85.34 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 ILE . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 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 LEU . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n MET . 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 ? -6.865 -7.549 13.492 1.00 91.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.582 -7.225 12.829 1.00 93.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.665 -7.304 11.307 1.00 94.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.984 -6.540 10.642 1.00 90.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.445 -8.112 13.348 1.00 87.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.981 -7.645 14.733 1.00 77.93 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.449 -8.443 15.240 1.00 74.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.137 -7.627 16.796 1.00 68.32 1 A 1 ATOM 9 N N . ILE A 1 2 ? -6.525 -8.162 10.775 1.00 91.39 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -6.697 -8.332 9.322 1.00 93.57 2 A 1 ATOM 11 C C . ILE A 1 2 ? -7.129 -7.028 8.648 1.00 94.88 2 A 1 ATOM 12 O O . ILE A 1 2 ? -6.579 -6.661 7.609 1.00 93.71 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -7.687 -9.475 9.047 1.00 91.71 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -7.123 -10.808 9.591 1.00 85.68 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -7.982 -9.598 7.539 1.00 84.15 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -8.149 -11.944 9.613 1.00 78.98 2 A 1 ATOM 17 N N . MET A 1 3 ? -8.058 -6.285 9.260 1.00 95.22 3 A 1 ATOM 18 C CA . MET A 1 3 ? -8.507 -4.990 8.719 1.00 95.55 3 A 1 ATOM 19 C C . MET A 1 3 ? -7.366 -3.975 8.639 1.00 95.96 3 A 1 ATOM 20 O O . MET A 1 3 ? -7.247 -3.275 7.637 1.00 94.69 3 A 1 ATOM 21 C CB . MET A 1 3 ? -9.650 -4.412 9.558 1.00 94.35 3 A 1 ATOM 22 C CG . MET A 1 3 ? -10.957 -5.156 9.328 1.00 87.94 3 A 1 ATOM 23 S SD . MET A 1 3 ? -12.327 -4.458 10.291 1.00 81.45 3 A 1 ATOM 24 C CE . MET A 1 3 ? -13.192 -3.522 9.030 1.00 70.84 3 A 1 ATOM 25 N N . LYS A 1 4 ? -6.493 -3.921 9.663 1.00 94.58 4 A 1 ATOM 26 C CA . LYS A 1 4 ? -5.319 -3.039 9.643 1.00 95.32 4 A 1 ATOM 27 C C . LYS A 1 4 ? -4.312 -3.469 8.583 1.00 96.00 4 A 1 ATOM 28 O O . LYS A 1 4 ? -3.769 -2.610 7.893 1.00 95.84 4 A 1 ATOM 29 C CB . LYS A 1 4 ? -4.657 -2.954 11.020 1.00 94.61 4 A 1 ATOM 30 C CG . LYS A 1 4 ? -5.315 -1.882 11.892 1.00 87.23 4 A 1 ATOM 31 C CD . LYS A 1 4 ? -4.425 -1.506 13.073 1.00 84.24 4 A 1 ATOM 32 C CE . LYS A 1 4 ? -5.017 -0.322 13.830 1.00 77.00 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? -4.104 0.199 14.886 1.00 70.51 4 A 1 ATOM 34 N N . ASN A 1 5 ? -4.097 -4.774 8.407 1.00 95.08 5 A 1 ATOM 35 C CA . ASN A 1 5 ? -3.227 -5.291 7.348 1.00 95.63 5 A 1 ATOM 36 C C . ASN A 1 5 ? -3.803 -4.990 5.966 1.00 96.29 5 A 1 ATOM 37 O O . ASN A 1 5 ? -3.058 -4.617 5.067 1.00 96.11 5 A 1 ATOM 38 C CB . ASN A 1 5 ? -3.014 -6.800 7.532 1.00 95.00 5 A 1 ATOM 39 C CG . ASN A 1 5 ? -1.755 -7.121 8.307 1.00 89.43 5 A 1 ATOM 40 O OD1 . ASN A 1 5 ? -0.981 -6.275 8.706 1.00 82.99 5 A 1 ATOM 41 N ND2 . ASN A 1 5 ? -1.496 -8.393 8.525 1.00 82.45 5 A 1 ATOM 42 N N . CYS A 1 6 ? -5.122 -5.101 5.794 1.00 97.31 6 A 1 ATOM 43 C CA . CYS A 1 6 ? -5.793 -4.753 4.544 1.00 97.26 6 A 1 ATOM 44 C C . CYS A 1 6 ? -5.676 -3.249 4.249 1.00 97.34 6 A 1 ATOM 45 O O . CYS A 1 6 ? -5.415 -2.859 3.117 1.00 96.63 6 A 1 ATOM 46 C CB . CYS A 1 6 ? -7.254 -5.208 4.634 1.00 96.77 6 A 1 ATOM 47 S SG . CYS A 1 6 ? -7.960 -5.294 2.974 1.00 91.34 6 A 1 ATOM 48 N N . LEU A 1 7 ? -5.797 -2.411 5.283 1.00 96.60 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -5.592 -0.965 5.180 1.00 96.55 7 A 1 ATOM 50 C C . LEU A 1 7 ? -4.148 -0.626 4.820 1.00 97.09 7 A 1 ATOM 51 O O . LEU A 1 7 ? -3.920 0.207 3.947 1.00 96.95 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -6.000 -0.309 6.508 1.00 96.47 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -7.241 0.580 6.369 1.00 88.11 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -7.987 0.656 7.694 1.00 86.06 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -6.856 1.988 5.940 1.00 86.79 7 A 1 ATOM 56 N N . LEU A 1 8 ? -3.178 -1.298 5.460 1.00 96.98 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -1.758 -1.141 5.150 1.00 96.88 8 A 1 ATOM 58 C C . LEU A 1 8 ? -1.451 -1.576 3.720 1.00 97.11 8 A 1 ATOM 59 O O . LEU A 1 8 ? -0.770 -0.849 2.999 1.00 97.11 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -0.930 -1.955 6.154 1.00 96.88 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -0.464 -1.108 7.344 1.00 89.51 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -0.268 -1.969 8.584 1.00 87.69 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? 0.863 -0.421 7.017 1.00 88.90 8 A 1 ATOM 64 N N . LEU A 1 9 ? -1.986 -2.717 3.297 1.00 96.89 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -1.807 -3.213 1.936 1.00 96.41 9 A 1 ATOM 66 C C . LEU A 1 9 ? -2.452 -2.270 0.916 1.00 96.78 9 A 1 ATOM 67 O O . LEU A 1 9 ? -1.833 -1.946 -0.095 1.00 96.64 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -2.406 -4.624 1.849 1.00 95.90 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -1.958 -5.372 0.587 1.00 89.09 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -0.556 -5.955 0.764 1.00 86.74 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -2.927 -6.509 0.286 1.00 86.35 9 A 1 ATOM 72 N N . GLY A 1 10 ? -3.661 -1.792 1.202 1.00 96.39 10 A 1 ATOM 73 C CA . GLY A 1 10 ? -4.351 -0.814 0.362 1.00 95.99 10 A 1 ATOM 74 C C . GLY A 1 10 ? -3.598 0.511 0.288 1.00 96.88 10 A 1 ATOM 75 O O . GLY A 1 10 ? -3.429 1.058 -0.800 1.00 96.83 10 A 1 ATOM 76 N N . ALA A 1 11 ? -3.086 1.008 1.419 1.00 97.09 11 A 1 ATOM 77 C CA . ALA A 1 11 ? -2.269 2.217 1.459 1.00 97.22 11 A 1 ATOM 78 C C . ALA A 1 11 ? -0.951 2.036 0.698 1.00 97.63 11 A 1 ATOM 79 O O . ALA A 1 11 ? -0.523 2.955 0.004 1.00 96.83 11 A 1 ATOM 80 C CB . ALA A 1 11 ? -2.013 2.593 2.922 1.00 96.73 11 A 1 ATOM 81 N N . LEU A 1 12 ? -0.332 0.852 0.796 1.00 97.52 12 A 1 ATOM 82 C CA . LEU A 1 12 ? 0.876 0.524 0.043 1.00 97.26 12 A 1 ATOM 83 C C . LEU A 1 12 ? 0.593 0.507 -1.458 1.00 97.48 12 A 1 ATOM 84 O O . LEU A 1 12 ? 1.348 1.097 -2.224 1.00 96.97 12 A 1 ATOM 85 C CB . LEU A 1 12 ? 1.411 -0.835 0.516 1.00 96.98 12 A 1 ATOM 86 C CG . LEU A 1 12 ? 2.865 -1.068 0.080 1.00 93.96 12 A 1 ATOM 87 C CD1 . LEU A 1 12 ? 3.833 -0.670 1.189 1.00 90.73 12 A 1 ATOM 88 C CD2 . LEU A 1 12 ? 3.093 -2.537 -0.257 1.00 90.81 12 A 1 ATOM 89 N N . LEU A 1 13 ? -0.507 -0.117 -1.879 1.00 97.47 13 A 1 ATOM 90 C CA . LEU A 1 13 ? -0.931 -0.147 -3.282 1.00 97.16 13 A 1 ATOM 91 C C . LEU A 1 13 ? -1.222 1.253 -3.810 1.00 97.22 13 A 1 ATOM 92 O O . LEU A 1 13 ? -0.728 1.623 -4.874 1.00 96.76 13 A 1 ATOM 93 C CB . LEU A 1 13 ? -2.164 -1.057 -3.418 1.00 96.78 13 A 1 ATOM 94 C CG . LEU A 1 13 ? -1.867 -2.322 -4.236 1.00 93.61 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? -2.323 -3.570 -3.492 1.00 90.16 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? -2.578 -2.262 -5.578 1.00 89.92 13 A 1 ATOM 97 N N . MET A 1 14 ? -1.974 2.058 -3.050 1.00 96.22 14 A 1 ATOM 98 C CA . MET A 1 14 ? -2.269 3.446 -3.414 1.00 95.31 14 A 1 ATOM 99 C C . MET A 1 14 ? -0.995 4.293 -3.445 1.00 95.80 14 A 1 ATOM 100 O O . MET A 1 14 ? -0.801 5.075 -4.369 1.00 94.32 14 A 1 ATOM 101 C CB . MET A 1 14 ? -3.280 4.027 -2.423 1.00 94.09 14 A 1 ATOM 102 C CG . MET A 1 14 ? -4.680 3.472 -2.668 1.00 90.45 14 A 1 ATOM 103 S SD . MET A 1 14 ? -5.545 4.291 -4.029 1.00 82.82 14 A 1 ATOM 104 C CE . MET A 1 14 ? -6.682 5.331 -3.104 1.00 74.19 14 A 1 ATOM 105 N N . GLY A 1 15 ? -0.110 4.113 -2.470 1.00 96.49 15 A 1 ATOM 106 C CA . GLY A 1 15 ? 1.180 4.796 -2.422 1.00 96.36 15 A 1 ATOM 107 C C . GLY A 1 15 ? 2.069 4.418 -3.599 1.00 96.86 15 A 1 ATOM 108 O O . GLY A 1 15 ? 2.610 5.296 -4.265 1.00 96.10 15 A 1 ATOM 109 N N . PHE A 1 16 ? 2.181 3.120 -3.896 1.00 95.78 16 A 1 ATOM 110 C CA . PHE A 1 16 ? 2.985 2.629 -5.013 1.00 95.16 16 A 1 ATOM 111 C C . PHE A 1 16 ? 2.423 3.095 -6.354 1.00 95.90 16 A 1 ATOM 112 O O . PHE A 1 16 ? 3.179 3.534 -7.217 1.00 94.66 16 A 1 ATOM 113 C CB . PHE A 1 16 ? 3.069 1.102 -4.939 1.00 94.22 16 A 1 ATOM 114 C CG . PHE A 1 16 ? 4.217 0.546 -5.742 1.00 91.41 16 A 1 ATOM 115 C CD1 . PHE A 1 16 ? 5.522 0.610 -5.228 1.00 88.09 16 A 1 ATOM 116 C CD2 . PHE A 1 16 ? 3.998 -0.017 -7.007 1.00 88.28 16 A 1 ATOM 117 C CE1 . PHE A 1 16 ? 6.600 0.115 -5.972 1.00 87.28 16 A 1 ATOM 118 C CE2 . PHE A 1 16 ? 5.077 -0.511 -7.761 1.00 86.12 16 A 1 ATOM 119 C CZ . PHE A 1 16 ? 6.378 -0.443 -7.237 1.00 86.33 16 A 1 ATOM 120 N N . THR A 1 17 ? 1.098 3.078 -6.505 1.00 96.85 17 A 1 ATOM 121 C CA . THR A 1 17 ? 0.437 3.600 -7.707 1.00 96.55 17 A 1 ATOM 122 C C . THR A 1 17 ? 0.665 5.104 -7.851 1.00 96.69 17 A 1 ATOM 123 O O . THR A 1 17 ? 0.923 5.576 -8.954 1.00 94.62 17 A 1 ATOM 124 C CB . THR A 1 17 ? -1.066 3.301 -7.678 1.00 95.35 17 A 1 ATOM 125 O OG1 . THR A 1 17 ? -1.290 1.928 -7.453 1.00 89.86 17 A 1 ATOM 126 C CG2 . THR A 1 17 ? -1.743 3.626 -9.005 1.00 88.68 17 A 1 ATOM 127 N N . GLY A 1 18 ? 0.616 5.852 -6.749 1.00 95.00 18 A 1 ATOM 128 C CA . GLY A 1 18 ? 0.926 7.282 -6.744 1.00 94.92 18 A 1 ATOM 129 C C . GLY A 1 18 ? 2.375 7.567 -7.139 1.00 95.75 18 A 1 ATOM 130 O O . GLY A 1 18 ? 2.618 8.451 -7.954 1.00 94.73 18 A 1 ATOM 131 N N . VAL A 1 19 ? 3.329 6.798 -6.606 1.00 94.51 19 A 1 ATOM 132 C CA . VAL A 1 19 ? 4.752 6.923 -6.969 1.00 94.45 19 A 1 ATOM 133 C C . VAL A 1 19 ? 4.987 6.524 -8.426 1.00 94.93 19 A 1 ATOM 134 O O . VAL A 1 19 ? 5.763 7.180 -9.113 1.00 93.29 19 A 1 ATOM 135 C CB . VAL A 1 19 ? 5.633 6.090 -6.025 1.00 92.82 19 A 1 ATOM 136 C CG1 . VAL A 1 19 ? 7.095 6.052 -6.469 1.00 87.88 19 A 1 ATOM 137 C CG2 . VAL A 1 19 ? 5.604 6.674 -4.616 1.00 88.83 19 A 1 ATOM 138 N N . ALA A 1 20 ? 4.301 5.502 -8.913 1.00 94.76 20 A 1 ATOM 139 C CA . ALA A 1 20 ? 4.411 5.079 -10.309 1.00 94.69 20 A 1 ATOM 140 C C . ALA A 1 20 ? 3.794 6.090 -11.290 1.00 95.14 20 A 1 ATOM 141 O O . ALA A 1 20 ? 4.185 6.125 -12.452 1.00 94.08 20 A 1 ATOM 142 C CB . ALA A 1 20 ? 3.758 3.700 -10.454 1.00 93.46 20 A 1 ATOM 143 N N . MET A 1 21 ? 2.830 6.891 -10.838 1.00 93.75 21 A 1 ATOM 144 C CA . MET A 1 21 ? 2.213 7.957 -11.638 1.00 93.23 21 A 1 ATOM 145 C C . MET A 1 21 ? 2.951 9.296 -11.538 1.00 93.91 21 A 1 ATOM 146 O O . MET A 1 21 ? 2.701 10.166 -12.364 1.00 91.65 21 A 1 ATOM 147 C CB . MET A 1 21 ? 0.744 8.137 -11.230 1.00 91.25 21 A 1 ATOM 148 C CG . MET A 1 21 ? -0.156 7.080 -11.861 1.00 86.07 21 A 1 ATOM 149 S SD . MET A 1 21 ? -1.907 7.524 -11.761 1.00 79.45 21 A 1 ATOM 150 C CE . MET A 1 21 ? -2.580 6.399 -12.989 1.00 70.33 21 A 1 ATOM 151 N N . ALA A 1 22 ? 3.823 9.452 -10.545 1.00 90.97 22 A 1 ATOM 152 C CA . ALA A 1 22 ? 4.604 10.675 -10.350 1.00 89.52 22 A 1 ATOM 153 C C . ALA A 1 22 ? 5.856 10.677 -11.233 1.00 87.41 22 A 1 ATOM 154 O O . ALA A 1 22 ? 6.193 11.751 -11.769 1.00 82.09 22 A 1 ATOM 155 C CB . ALA A 1 22 ? 4.957 10.808 -8.866 1.00 84.92 22 A 1 ATOM 156 O OXT . ALA A 1 22 ? 6.485 9.602 -11.359 1.00 77.14 22 A 1 #