# 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_spkb36447 # _entry.id spkb36447 # 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" "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 VAL 3 1 n PHE 4 1 n TYR 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n VAL 10 1 n SER 11 1 n VAL 12 1 n PHE 13 1 n SER 14 1 n ASN 15 1 n THR 16 1 n VAL 17 1 n MET 18 1 n GLY 19 # _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 @ 2025-07-02 22:33:19)" _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 93.72 _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 88.83 1 1 A LEU 2 2 92.83 1 2 A VAL 3 2 96.31 1 3 A PHE 4 2 94.50 1 4 A TYR 5 2 92.98 1 5 A ALA 6 2 98.05 1 6 A LEU 7 2 95.72 1 7 A LEU 8 2 94.63 1 8 A PHE 9 2 93.61 1 9 A VAL 10 2 96.77 1 10 A SER 11 2 96.11 1 11 A VAL 12 2 97.08 1 12 A PHE 13 2 93.74 1 13 A SER 14 2 96.72 1 14 A ASN 15 2 94.16 1 15 A THR 16 2 95.59 1 16 A VAL 17 2 94.21 1 17 A MET 18 2 87.41 1 18 A GLY 19 2 81.12 1 19 # _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 VAL . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n GLY . 19 A 19 # _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 ? -7.549 4.760 13.366 1.00 94.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.228 3.680 12.423 1.00 95.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.695 4.228 11.096 1.00 95.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.561 3.495 10.117 1.00 92.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.474 2.830 12.168 1.00 90.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.998 2.166 13.441 1.00 84.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.909 0.853 13.975 1.00 82.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.624 0.471 15.572 1.00 75.26 1 A 1 ATOM 9 N N . LEU A 1 2 ? -6.406 5.500 11.077 1.00 95.08 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -5.880 6.142 9.872 1.00 96.46 2 A 1 ATOM 11 C C . LEU A 1 2 ? -4.406 5.815 9.660 1.00 97.36 2 A 1 ATOM 12 O O . LEU A 1 2 ? -3.942 5.706 8.524 1.00 96.85 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -6.074 7.658 9.979 1.00 95.30 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -7.458 8.124 9.550 1.00 89.61 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -7.814 9.435 10.228 1.00 86.67 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -7.489 8.287 8.035 1.00 85.30 2 A 1 ATOM 17 N N . VAL A 1 3 ? -3.681 5.656 10.748 1.00 97.50 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -2.248 5.355 10.684 1.00 97.63 3 A 1 ATOM 19 C C . VAL A 1 3 ? -2.004 4.001 10.020 1.00 98.05 3 A 1 ATOM 20 O O . VAL A 1 3 ? -1.076 3.841 9.223 1.00 97.77 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -1.618 5.369 12.093 1.00 96.77 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -0.124 5.088 12.017 1.00 93.53 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -1.862 6.706 12.779 1.00 92.92 3 A 1 ATOM 24 N N . PHE A 1 4 ? -2.846 3.033 10.334 1.00 97.11 4 A 1 ATOM 25 C CA . PHE A 1 4 ? -2.713 1.689 9.775 1.00 97.34 4 A 1 ATOM 26 C C . PHE A 1 4 ? -2.918 1.711 8.260 1.00 97.76 4 A 1 ATOM 27 O O . PHE A 1 4 ? -2.188 1.062 7.512 1.00 97.58 4 A 1 ATOM 28 C CB . PHE A 1 4 ? -3.727 0.753 10.437 1.00 97.06 4 A 1 ATOM 29 C CG . PHE A 1 4 ? -3.381 -0.703 10.240 1.00 94.90 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? -2.244 -1.239 10.827 1.00 92.35 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? -4.197 -1.520 9.476 1.00 92.41 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? -1.916 -2.578 10.650 1.00 91.10 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? -3.875 -2.863 9.293 1.00 90.70 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? -2.734 -3.394 9.880 1.00 91.24 4 A 1 ATOM 35 N N . TYR A 1 5 ? -3.906 2.462 7.810 1.00 97.34 5 A 1 ATOM 36 C CA . TYR A 1 5 ? -4.198 2.573 6.380 1.00 96.88 5 A 1 ATOM 37 C C . TYR A 1 5 ? -3.098 3.350 5.661 1.00 97.37 5 A 1 ATOM 38 O O . TYR A 1 5 ? -2.741 3.039 4.524 1.00 97.30 5 A 1 ATOM 39 C CB . TYR A 1 5 ? -5.548 3.267 6.185 1.00 96.22 5 A 1 ATOM 40 C CG . TYR A 1 5 ? -6.508 2.422 5.376 1.00 92.74 5 A 1 ATOM 41 C CD1 . TYR A 1 5 ? -6.381 2.334 3.994 1.00 90.61 5 A 1 ATOM 42 C CD2 . TYR A 1 5 ? -7.531 1.719 6.006 1.00 90.70 5 A 1 ATOM 43 C CE1 . TYR A 1 5 ? -7.259 1.554 3.251 1.00 89.38 5 A 1 ATOM 44 C CE2 . TYR A 1 5 ? -8.414 0.938 5.271 1.00 89.54 5 A 1 ATOM 45 C CZ . TYR A 1 5 ? -8.272 0.861 3.892 1.00 90.07 5 A 1 ATOM 46 O OH . TYR A 1 5 ? -9.148 0.095 3.156 1.00 87.63 5 A 1 ATOM 47 N N . ALA A 1 6 ? -2.564 4.349 6.330 1.00 97.96 6 A 1 ATOM 48 C CA . ALA A 1 6 ? -1.498 5.172 5.760 1.00 98.15 6 A 1 ATOM 49 C C . ALA A 1 6 ? -0.231 4.347 5.526 1.00 98.34 6 A 1 ATOM 50 O O . ALA A 1 6 ? 0.434 4.490 4.500 1.00 97.91 6 A 1 ATOM 51 C CB . ALA A 1 6 ? -1.201 6.348 6.687 1.00 97.91 6 A 1 ATOM 52 N N . LEU A 1 7 ? 0.091 3.488 6.470 1.00 97.86 7 A 1 ATOM 53 C CA . LEU A 1 7 ? 1.276 2.641 6.361 1.00 97.82 7 A 1 ATOM 54 C C . LEU A 1 7 ? 1.134 1.648 5.209 1.00 97.90 7 A 1 ATOM 55 O O . LEU A 1 7 ? 2.069 1.442 4.432 1.00 97.52 7 A 1 ATOM 56 C CB . LEU A 1 7 ? 1.495 1.888 7.679 1.00 97.66 7 A 1 ATOM 57 C CG . LEU A 1 7 ? 2.099 2.747 8.791 1.00 93.95 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? 1.827 2.135 10.155 1.00 91.50 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? 3.607 2.886 8.578 1.00 91.55 7 A 1 ATOM 60 N N . LEU A 1 8 ? -0.039 1.047 5.094 1.00 97.59 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -0.301 0.086 4.027 1.00 97.25 8 A 1 ATOM 62 C C . LEU A 1 8 ? -0.321 0.777 2.664 1.00 97.37 8 A 1 ATOM 63 O O . LEU A 1 8 ? 0.230 0.270 1.687 1.00 97.17 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -1.638 -0.619 4.285 1.00 96.95 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -1.561 -1.756 5.308 1.00 91.83 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -2.934 -2.058 5.882 1.00 89.48 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -0.979 -3.012 4.662 1.00 89.41 8 A 1 ATOM 68 N N . PHE A 1 9 ? -0.950 1.925 2.607 1.00 96.99 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -1.051 2.693 1.369 1.00 96.80 9 A 1 ATOM 70 C C . PHE A 1 9 ? 0.328 3.095 0.859 1.00 97.19 9 A 1 ATOM 71 O O . PHE A 1 9 ? 0.621 2.961 -0.330 1.00 96.75 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -1.906 3.936 1.610 1.00 96.34 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -2.104 4.746 0.360 1.00 93.85 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -2.961 4.303 -0.632 1.00 90.75 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -1.429 5.943 0.187 1.00 90.92 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -3.148 5.039 -1.791 1.00 89.58 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -1.604 6.687 -0.975 1.00 89.84 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -2.465 6.236 -1.965 1.00 90.66 9 A 1 ATOM 79 N N . VAL A 1 10 ? 1.170 3.578 1.743 1.00 97.87 10 A 1 ATOM 80 C CA . VAL A 1 10 ? 2.522 4.004 1.373 1.00 97.63 10 A 1 ATOM 81 C C . VAL A 1 10 ? 3.354 2.820 0.892 1.00 97.77 10 A 1 ATOM 82 O O . VAL A 1 10 ? 4.102 2.929 -0.084 1.00 97.26 10 A 1 ATOM 83 C CB . VAL A 1 10 ? 3.222 4.692 2.565 1.00 97.14 10 A 1 ATOM 84 C CG1 . VAL A 1 10 ? 4.672 5.014 2.237 1.00 94.72 10 A 1 ATOM 85 C CG2 . VAL A 1 10 ? 2.487 5.970 2.945 1.00 95.02 10 A 1 ATOM 86 N N . SER A 1 11 ? 3.217 1.700 1.559 1.00 97.81 11 A 1 ATOM 87 C CA . SER A 1 11 ? 3.961 0.494 1.209 1.00 97.81 11 A 1 ATOM 88 C C . SER A 1 11 ? 3.564 -0.013 -0.174 1.00 97.96 11 A 1 ATOM 89 O O . SER A 1 11 ? 4.418 -0.352 -0.991 1.00 97.12 11 A 1 ATOM 90 C CB . SER A 1 11 ? 3.712 -0.594 2.256 1.00 97.25 11 A 1 ATOM 91 O OG . SER A 1 11 ? 4.602 -1.668 2.065 1.00 88.70 11 A 1 ATOM 92 N N . VAL A 1 12 ? 2.270 -0.061 -0.435 1.00 98.06 12 A 1 ATOM 93 C CA . VAL A 1 12 ? 1.756 -0.522 -1.727 1.00 97.97 12 A 1 ATOM 94 C C . VAL A 1 12 ? 2.131 0.459 -2.834 1.00 98.06 12 A 1 ATOM 95 O O . VAL A 1 12 ? 2.545 0.057 -3.925 1.00 97.53 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 0.228 -0.702 -1.676 1.00 97.44 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? -0.315 -1.080 -3.047 1.00 95.24 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? -0.149 -1.768 -0.657 1.00 95.29 12 A 1 ATOM 99 N N . PHE A 1 13 ? 1.995 1.731 -2.559 1.00 97.73 13 A 1 ATOM 100 C CA . PHE A 1 13 ? 2.316 2.774 -3.525 1.00 97.29 13 A 1 ATOM 101 C C . PHE A 1 13 ? 3.793 2.729 -3.907 1.00 97.45 13 A 1 ATOM 102 O O . PHE A 1 13 ? 4.140 2.858 -5.080 1.00 97.03 13 A 1 ATOM 103 C CB . PHE A 1 13 ? 1.970 4.141 -2.936 1.00 96.70 13 A 1 ATOM 104 C CG . PHE A 1 13 ? 2.258 5.271 -3.886 1.00 94.40 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? 1.403 5.542 -4.935 1.00 90.42 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? 3.390 6.050 -3.722 1.00 90.75 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? 1.661 6.579 -5.814 1.00 89.60 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? 3.664 7.089 -4.603 1.00 90.08 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? 2.799 7.355 -5.650 1.00 89.64 13 A 1 ATOM 110 N N . SER A 1 14 ? 4.641 2.532 -2.939 1.00 97.92 14 A 1 ATOM 111 C CA . SER A 1 14 ? 6.082 2.472 -3.168 1.00 97.90 14 A 1 ATOM 112 C C . SER A 1 14 ? 6.459 1.261 -4.014 1.00 97.99 14 A 1 ATOM 113 O O . SER A 1 14 ? 7.327 1.345 -4.880 1.00 97.19 14 A 1 ATOM 114 C CB . SER A 1 14 ? 6.814 2.423 -1.829 1.00 97.20 14 A 1 ATOM 115 O OG . SER A 1 14 ? 8.194 2.604 -2.015 1.00 92.10 14 A 1 ATOM 116 N N . ASN A 1 15 ? 5.802 0.147 -3.780 1.00 97.81 15 A 1 ATOM 117 C CA . ASN A 1 15 ? 6.074 -1.086 -4.516 1.00 97.77 15 A 1 ATOM 118 C C . ASN A 1 15 ? 5.485 -1.039 -5.921 1.00 97.81 15 A 1 ATOM 119 O O . ASN A 1 15 ? 6.088 -1.525 -6.878 1.00 96.80 15 A 1 ATOM 120 C CB . ASN A 1 15 ? 5.502 -2.283 -3.751 1.00 97.06 15 A 1 ATOM 121 C CG . ASN A 1 15 ? 6.252 -3.554 -4.081 1.00 93.45 15 A 1 ATOM 122 O OD1 . ASN A 1 15 ? 6.593 -3.819 -5.223 1.00 86.70 15 A 1 ATOM 123 N ND2 . ASN A 1 15 ? 6.519 -4.365 -3.072 1.00 85.87 15 A 1 ATOM 124 N N . THR A 1 16 ? 4.309 -0.460 -6.046 1.00 97.88 16 A 1 ATOM 125 C CA . THR A 1 16 ? 3.628 -0.365 -7.338 1.00 97.73 16 A 1 ATOM 126 C C . THR A 1 16 ? 4.296 0.657 -8.251 1.00 97.70 16 A 1 ATOM 127 O O . THR A 1 16 ? 4.505 0.394 -9.436 1.00 96.10 16 A 1 ATOM 128 C CB . THR A 1 16 ? 2.151 0.010 -7.145 1.00 96.68 16 A 1 ATOM 129 O OG1 . THR A 1 16 ? 1.536 -0.908 -6.249 1.00 92.56 16 A 1 ATOM 130 C CG2 . THR A 1 16 ? 1.406 -0.039 -8.465 1.00 90.46 16 A 1 ATOM 131 N N . VAL A 1 17 ? 4.620 1.811 -7.718 1.00 97.22 17 A 1 ATOM 132 C CA . VAL A 1 17 ? 5.243 2.881 -8.494 1.00 96.65 17 A 1 ATOM 133 C C . VAL A 1 17 ? 6.724 2.601 -8.745 1.00 96.49 17 A 1 ATOM 134 O O . VAL A 1 17 ? 7.170 2.548 -9.894 1.00 95.20 17 A 1 ATOM 135 C CB . VAL A 1 17 ? 5.066 4.239 -7.790 1.00 95.13 17 A 1 ATOM 136 C CG1 . VAL A 1 17 ? 5.790 5.330 -8.557 1.00 89.76 17 A 1 ATOM 137 C CG2 . VAL A 1 17 ? 3.592 4.573 -7.664 1.00 89.02 17 A 1 ATOM 138 N N . MET A 1 18 ? 7.469 2.428 -7.691 1.00 95.75 18 A 1 ATOM 139 C CA . MET A 1 18 ? 8.909 2.164 -7.797 1.00 94.45 18 A 1 ATOM 140 C C . MET A 1 18 ? 9.326 0.996 -6.900 1.00 93.33 18 A 1 ATOM 141 O O . MET A 1 18 ? 9.182 1.051 -5.684 1.00 89.74 18 A 1 ATOM 142 C CB . MET A 1 18 ? 9.694 3.417 -7.405 1.00 91.32 18 A 1 ATOM 143 C CG . MET A 1 18 ? 9.358 3.903 -6.004 1.00 86.86 18 A 1 ATOM 144 S SD . MET A 1 18 ? 10.402 5.260 -5.496 1.00 78.05 18 A 1 ATOM 145 C CE . MET A 1 18 ? 10.131 5.230 -3.734 1.00 69.75 18 A 1 ATOM 146 N N . GLY A 1 19 ? 9.829 -0.041 -7.518 1.00 89.58 19 A 1 ATOM 147 C CA . GLY A 1 19 ? 10.283 -1.190 -6.742 1.00 84.75 19 A 1 ATOM 148 C C . GLY A 1 19 ? 10.912 -2.238 -7.639 1.00 79.92 19 A 1 ATOM 149 O O . GLY A 1 19 ? 10.258 -3.249 -7.903 1.00 73.53 19 A 1 ATOM 150 O OXT . GLY A 1 19 ? 12.051 -2.020 -8.059 1.00 77.83 19 A 1 #