# 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_spkb36452 # _entry.id spkb36452 # 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" "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 SER 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 @ 2025-07-06 13:36:22)" _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 93.47 _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 88.28 1 1 A LEU 2 2 92.19 1 2 A VAL 3 2 96.26 1 3 A PHE 4 2 94.14 1 4 A TYR 5 2 91.93 1 5 A ALA 6 2 97.93 1 6 A LEU 7 2 95.22 1 7 A LEU 8 2 94.89 1 8 A PHE 9 2 93.84 1 9 A VAL 10 2 97.12 1 10 A SER 11 2 96.39 1 11 A VAL 12 2 97.10 1 12 A PHE 13 2 93.51 1 13 A SER 14 2 95.72 1 14 A SER 15 2 95.62 1 15 A THR 16 2 94.80 1 16 A VAL 17 2 93.89 1 17 A MET 18 2 87.58 1 18 A GLY 19 2 79.87 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 SER . 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 ? -3.082 12.779 7.292 1.00 94.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.579 12.937 5.915 1.00 95.11 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.762 11.717 5.501 1.00 94.81 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.011 11.113 4.458 1.00 91.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.718 14.201 5.814 1.00 90.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.525 15.473 6.051 1.00 83.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.486 16.856 6.486 1.00 81.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.717 18.140 6.702 1.00 74.42 1 A 1 ATOM 9 N N . LEU A 1 2 ? -0.808 11.354 6.328 1.00 94.83 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 0.026 10.189 6.058 1.00 96.18 2 A 1 ATOM 11 C C . LEU A 1 2 ? -0.659 8.893 6.460 1.00 97.15 2 A 1 ATOM 12 O O . LEU A 1 2 ? -0.274 7.811 6.012 1.00 96.32 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 1.354 10.326 6.802 1.00 94.70 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 2.441 11.014 5.986 1.00 88.63 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 3.582 11.443 6.890 1.00 85.75 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 2.952 10.069 4.903 1.00 83.94 2 A 1 ATOM 17 N N . VAL A 1 3 ? -1.685 9.011 7.294 1.00 97.50 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -2.426 7.835 7.755 1.00 97.62 3 A 1 ATOM 19 C C . VAL A 1 3 ? -3.061 7.103 6.577 1.00 97.99 3 A 1 ATOM 20 O O . VAL A 1 3 ? -3.202 5.881 6.588 1.00 97.57 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -3.515 8.227 8.778 1.00 96.80 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -2.886 8.736 10.060 1.00 93.47 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -4.458 9.267 8.200 1.00 92.88 3 A 1 ATOM 24 N N . PHE A 1 4 ? -3.435 7.853 5.553 1.00 96.71 4 A 1 ATOM 25 C CA . PHE A 1 4 ? -4.038 7.276 4.357 1.00 96.95 4 A 1 ATOM 26 C C . PHE A 1 4 ? -2.997 6.492 3.569 1.00 97.45 4 A 1 ATOM 27 O O . PHE A 1 4 ? -3.278 5.424 3.028 1.00 97.07 4 A 1 ATOM 28 C CB . PHE A 1 4 ? -4.633 8.387 3.495 1.00 96.62 4 A 1 ATOM 29 C CG . PHE A 1 4 ? -5.992 8.027 2.947 1.00 94.71 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? -7.109 8.084 3.760 1.00 91.94 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? -6.134 7.632 1.630 1.00 91.80 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? -8.363 7.751 3.267 1.00 90.60 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? -7.385 7.294 1.127 1.00 90.57 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? -8.502 7.356 1.946 1.00 91.15 4 A 1 ATOM 35 N N . TYR A 1 5 ? -1.791 7.021 3.522 1.00 96.55 5 A 1 ATOM 36 C CA . TYR A 1 5 ? -0.691 6.360 2.827 1.00 95.95 5 A 1 ATOM 37 C C . TYR A 1 5 ? -0.277 5.089 3.558 1.00 96.70 5 A 1 ATOM 38 O O . TYR A 1 5 ? 0.124 4.105 2.936 1.00 96.38 5 A 1 ATOM 39 C CB . TYR A 1 5 ? 0.501 7.308 2.719 1.00 95.11 5 A 1 ATOM 40 C CG . TYR A 1 5 ? 0.336 8.328 1.613 1.00 91.89 5 A 1 ATOM 41 C CD1 . TYR A 1 5 ? 0.544 7.964 0.289 1.00 89.21 5 A 1 ATOM 42 C CD2 . TYR A 1 5 ? -0.014 9.635 1.899 1.00 89.27 5 A 1 ATOM 43 C CE1 . TYR A 1 5 ? 0.398 8.892 -0.732 1.00 88.08 5 A 1 ATOM 44 C CE2 . TYR A 1 5 ? -0.165 10.569 0.885 1.00 88.23 5 A 1 ATOM 45 C CZ . TYR A 1 5 ? 0.044 10.188 -0.428 1.00 89.03 5 A 1 ATOM 46 O OH . TYR A 1 5 ? -0.096 11.107 -1.436 1.00 86.77 5 A 1 ATOM 47 N N . ALA A 1 6 ? -0.386 5.125 4.871 1.00 97.74 6 A 1 ATOM 48 C CA . ALA A 1 6 ? -0.040 3.972 5.694 1.00 98.03 6 A 1 ATOM 49 C C . ALA A 1 6 ? -0.958 2.793 5.383 1.00 98.27 6 A 1 ATOM 50 O O . ALA A 1 6 ? -0.508 1.653 5.272 1.00 97.79 6 A 1 ATOM 51 C CB . ALA A 1 6 ? -0.130 4.345 7.171 1.00 97.84 6 A 1 ATOM 52 N N . LEU A 1 7 ? -2.244 3.078 5.243 1.00 97.68 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -3.225 2.048 4.923 1.00 97.62 7 A 1 ATOM 54 C C . LEU A 1 7 ? -3.009 1.516 3.513 1.00 97.71 7 A 1 ATOM 55 O O . LEU A 1 7 ? -3.059 0.306 3.276 1.00 97.22 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -4.641 2.622 5.063 1.00 97.38 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -5.251 2.461 6.453 1.00 93.36 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -6.440 3.389 6.631 1.00 90.35 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -5.683 1.015 6.670 1.00 90.44 7 A 1 ATOM 60 N N . LEU A 1 8 ? -2.767 2.417 2.581 1.00 97.47 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -2.522 2.037 1.193 1.00 97.30 8 A 1 ATOM 62 C C . LEU A 1 8 ? -1.228 1.244 1.076 1.00 97.46 8 A 1 ATOM 63 O O . LEU A 1 8 ? -1.149 0.260 0.341 1.00 97.14 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -2.457 3.293 0.319 1.00 97.05 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -3.682 3.496 -0.571 1.00 92.71 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -3.706 4.910 -1.129 1.00 89.93 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -3.687 2.484 -1.709 1.00 90.03 8 A 1 ATOM 68 N N . PHE A 1 9 ? -0.222 1.674 1.810 1.00 96.89 9 A 1 ATOM 69 C CA . PHE A 1 9 ? 1.076 1.008 1.807 1.00 96.83 9 A 1 ATOM 70 C C . PHE A 1 9 ? 0.948 -0.426 2.293 1.00 97.28 9 A 1 ATOM 71 O O . PHE A 1 9 ? 1.511 -1.346 1.702 1.00 96.71 9 A 1 ATOM 72 C CB . PHE A 1 9 ? 2.043 1.781 2.697 1.00 96.30 9 A 1 ATOM 73 C CG . PHE A 1 9 ? 3.436 1.218 2.655 1.00 94.19 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? 4.230 1.396 1.537 1.00 91.00 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? 3.938 0.516 3.735 1.00 91.30 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? 5.513 0.877 1.487 1.00 89.92 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? 5.222 -0.012 3.692 1.00 90.59 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? 6.011 0.168 2.568 1.00 91.21 9 A 1 ATOM 79 N N . VAL A 1 10 ? 0.204 -0.613 3.360 1.00 98.12 10 A 1 ATOM 80 C CA . VAL A 1 10 ? -0.004 -1.944 3.924 1.00 98.02 10 A 1 ATOM 81 C C . VAL A 1 10 ? -0.863 -2.796 2.999 1.00 98.12 10 A 1 ATOM 82 O O . VAL A 1 10 ? -0.611 -3.990 2.824 1.00 97.57 10 A 1 ATOM 83 C CB . VAL A 1 10 ? -0.666 -1.849 5.312 1.00 97.54 10 A 1 ATOM 84 C CG1 . VAL A 1 10 ? -0.985 -3.236 5.851 1.00 95.20 10 A 1 ATOM 85 C CG2 . VAL A 1 10 ? 0.242 -1.109 6.277 1.00 95.27 10 A 1 ATOM 86 N N . SER A 1 11 ? -1.869 -2.184 2.412 1.00 98.02 11 A 1 ATOM 87 C CA . SER A 1 11 ? -2.774 -2.878 1.506 1.00 98.05 11 A 1 ATOM 88 C C . SER A 1 11 ? -2.039 -3.351 0.256 1.00 98.12 11 A 1 ATOM 89 O O . SER A 1 11 ? -2.207 -4.487 -0.184 1.00 97.14 11 A 1 ATOM 90 C CB . SER A 1 11 ? -3.933 -1.961 1.119 1.00 97.55 11 A 1 ATOM 91 O OG . SER A 1 11 ? -4.986 -2.707 0.563 1.00 89.45 11 A 1 ATOM 92 N N . VAL A 1 12 ? -1.224 -2.484 -0.310 1.00 98.10 12 A 1 ATOM 93 C CA . VAL A 1 12 ? -0.450 -2.816 -1.503 1.00 98.01 12 A 1 ATOM 94 C C . VAL A 1 12 ? 0.649 -3.817 -1.168 1.00 98.02 12 A 1 ATOM 95 O O . VAL A 1 12 ? 0.889 -4.769 -1.912 1.00 97.30 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 0.167 -1.549 -2.123 1.00 97.47 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? 1.078 -1.914 -3.284 1.00 95.42 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? -0.927 -0.604 -2.589 1.00 95.35 12 A 1 ATOM 99 N N . PHE A 1 13 ? 1.298 -3.603 -0.048 1.00 97.53 13 A 1 ATOM 100 C CA . PHE A 1 13 ? 2.369 -4.481 0.401 1.00 97.00 13 A 1 ATOM 101 C C . PHE A 1 13 ? 1.849 -5.892 0.651 1.00 97.13 13 A 1 ATOM 102 O O . PHE A 1 13 ? 2.532 -6.874 0.360 1.00 96.48 13 A 1 ATOM 103 C CB . PHE A 1 13 ? 2.986 -3.917 1.679 1.00 96.28 13 A 1 ATOM 104 C CG . PHE A 1 13 ? 4.113 -4.763 2.207 1.00 93.96 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? 5.344 -4.759 1.582 1.00 90.25 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? 3.928 -5.556 3.324 1.00 90.62 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? 6.385 -5.534 2.058 1.00 89.51 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? 4.966 -6.340 3.808 1.00 90.19 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? 6.194 -6.328 3.174 1.00 89.61 13 A 1 ATOM 110 N N . SER A 1 14 ? 0.653 -5.985 1.173 1.00 97.59 14 A 1 ATOM 111 C CA . SER A 1 14 ? 0.044 -7.275 1.472 1.00 97.51 14 A 1 ATOM 112 C C . SER A 1 14 ? -0.514 -7.938 0.218 1.00 97.63 14 A 1 ATOM 113 O O . SER A 1 14 ? -0.556 -9.161 0.116 1.00 96.38 14 A 1 ATOM 114 C CB . SER A 1 14 ? -1.065 -7.093 2.505 1.00 96.54 14 A 1 ATOM 115 O OG . SER A 1 14 ? -1.505 -8.339 2.980 1.00 88.67 14 A 1 ATOM 116 N N . SER A 1 15 ? -0.935 -7.136 -0.734 1.00 97.83 15 A 1 ATOM 117 C CA . SER A 1 15 ? -1.520 -7.638 -1.974 1.00 97.78 15 A 1 ATOM 118 C C . SER A 1 15 ? -0.453 -8.013 -2.999 1.00 97.89 15 A 1 ATOM 119 O O . SER A 1 15 ? -0.646 -8.924 -3.801 1.00 95.92 15 A 1 ATOM 120 C CB . SER A 1 15 ? -2.466 -6.594 -2.563 1.00 96.64 15 A 1 ATOM 121 O OG . SER A 1 15 ? -3.353 -7.186 -3.479 1.00 87.66 15 A 1 ATOM 122 N N . THR A 1 16 ? 0.668 -7.310 -2.973 1.00 97.51 16 A 1 ATOM 123 C CA . THR A 1 16 ? 1.743 -7.564 -3.931 1.00 97.39 16 A 1 ATOM 124 C C . THR A 1 16 ? 2.745 -8.584 -3.410 1.00 97.40 16 A 1 ATOM 125 O O . THR A 1 16 ? 3.293 -9.372 -4.178 1.00 95.32 16 A 1 ATOM 126 C CB . THR A 1 16 ? 2.469 -6.257 -4.288 1.00 96.02 16 A 1 ATOM 127 O OG1 . THR A 1 16 ? 3.309 -6.490 -5.416 1.00 91.01 16 A 1 ATOM 128 C CG2 . THR A 1 16 ? 3.314 -5.747 -3.144 1.00 88.93 16 A 1 ATOM 129 N N . VAL A 1 17 ? 2.985 -8.569 -2.115 1.00 97.02 17 A 1 ATOM 130 C CA . VAL A 1 17 ? 3.946 -9.487 -1.505 1.00 96.62 17 A 1 ATOM 131 C C . VAL A 1 17 ? 3.295 -10.811 -1.119 1.00 96.64 17 A 1 ATOM 132 O O . VAL A 1 17 ? 3.860 -11.884 -1.351 1.00 95.07 17 A 1 ATOM 133 C CB . VAL A 1 17 ? 4.599 -8.844 -0.268 1.00 94.73 17 A 1 ATOM 134 C CG1 . VAL A 1 17 ? 5.544 -9.827 0.398 1.00 88.86 17 A 1 ATOM 135 C CG2 . VAL A 1 17 ? 5.336 -7.581 -0.658 1.00 88.32 17 A 1 ATOM 136 N N . MET A 1 18 ? 2.127 -10.739 -0.543 1.00 95.60 18 A 1 ATOM 137 C CA . MET A 1 18 ? 1.399 -11.931 -0.119 1.00 94.84 18 A 1 ATOM 138 C C . MET A 1 18 ? 0.646 -12.578 -1.280 1.00 94.42 18 A 1 ATOM 139 O O . MET A 1 18 ? 0.334 -13.769 -1.239 1.00 91.01 18 A 1 ATOM 140 C CB . MET A 1 18 ? 0.425 -11.565 1.004 1.00 91.55 18 A 1 ATOM 141 C CG . MET A 1 18 ? -0.013 -12.764 1.806 1.00 86.50 18 A 1 ATOM 142 S SD . MET A 1 18 ? -0.985 -12.334 3.255 1.00 77.52 18 A 1 ATOM 143 C CE . MET A 1 18 ? -2.595 -12.157 2.503 1.00 69.17 18 A 1 ATOM 144 N N . GLY A 1 19 ? 0.362 -11.785 -2.307 1.00 88.21 19 A 1 ATOM 145 C CA . GLY A 1 19 ? -0.368 -12.282 -3.468 1.00 83.71 19 A 1 ATOM 146 C C . GLY A 1 19 ? 0.545 -12.970 -4.468 1.00 79.25 19 A 1 ATOM 147 O O . GLY A 1 19 ? 1.022 -12.303 -5.390 1.00 72.23 19 A 1 ATOM 148 O OXT . GLY A 1 19 ? 0.744 -14.178 -4.340 1.00 75.93 19 A 1 #