# 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_spkb36835 # _entry.id spkb36835 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 ASP 2 1 n LEU 3 1 n ARG 4 1 n LEU 5 1 n THR 6 1 n TYR 7 1 n VAL 8 1 n PHE 9 1 n ILE 10 1 n VAL 11 1 n ALA 12 1 n ILE 13 1 n LEU 14 1 n LYS 15 1 n GLY 16 1 n VAL 17 1 n LEU 18 1 n CYS 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 @ 2025-07-04 05:08:50)" _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 89.90 _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 78.72 1 1 A ASP 2 2 84.27 1 2 A LEU 3 2 88.62 1 3 A ARG 4 2 84.85 1 4 A LEU 5 2 91.34 1 5 A THR 6 2 91.55 1 6 A TYR 7 2 92.83 1 7 A VAL 8 2 95.03 1 8 A PHE 9 2 91.09 1 9 A ILE 10 2 93.20 1 10 A VAL 11 2 94.82 1 11 A ALA 12 2 96.75 1 12 A ILE 13 2 94.32 1 13 A LEU 14 2 93.15 1 14 A LYS 15 2 90.07 1 15 A GLY 16 2 95.14 1 16 A VAL 17 2 91.52 1 17 A LEU 18 2 87.59 1 18 A CYS 19 2 78.63 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 ASP . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n CYS . 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 ? -12.115 0.867 11.197 1.00 85.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.982 1.380 10.411 1.00 87.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.345 1.494 8.934 1.00 88.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.232 0.795 8.455 1.00 84.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.772 0.453 10.545 1.00 81.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.232 0.393 11.968 1.00 73.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.810 -0.707 12.107 1.00 66.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.387 -0.464 13.827 1.00 61.14 1 A 1 ATOM 9 N N . ASP A 1 2 ? -10.669 2.372 8.217 1.00 87.91 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -10.920 2.571 6.800 1.00 91.79 2 A 1 ATOM 11 C C . ASP A 1 2 ? -10.027 1.679 5.948 1.00 93.76 2 A 1 ATOM 12 O O . ASP A 1 2 ? -8.850 1.495 6.252 1.00 91.93 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -10.693 4.027 6.418 1.00 86.68 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -11.768 4.941 6.968 1.00 76.30 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -12.841 4.439 7.332 1.00 74.11 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -11.529 6.158 7.023 1.00 71.65 2 A 1 ATOM 17 N N . LEU A 1 3 ? -10.591 1.155 4.882 1.00 93.82 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -9.847 0.289 3.977 1.00 94.20 3 A 1 ATOM 19 C C . LEU A 1 3 ? -8.851 1.092 3.154 1.00 95.23 3 A 1 ATOM 20 O O . LEU A 1 3 ? -7.783 0.598 2.799 1.00 93.81 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -10.816 -0.436 3.042 1.00 91.76 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -11.809 -1.345 3.754 1.00 83.88 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -12.813 -1.899 2.757 1.00 78.58 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -11.080 -2.478 4.458 1.00 77.71 3 A 1 ATOM 25 N N . ARG A 1 4 ? -9.221 2.324 2.854 1.00 94.67 4 A 1 ATOM 26 C CA . ARG A 1 4 ? -8.372 3.208 2.063 1.00 95.35 4 A 1 ATOM 27 C C . ARG A 1 4 ? -7.050 3.482 2.762 1.00 95.96 4 A 1 ATOM 28 O O . ARG A 1 4 ? -5.990 3.432 2.137 1.00 94.93 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -9.101 4.523 1.797 1.00 94.20 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -9.677 5.150 3.056 1.00 87.20 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -10.539 6.349 2.751 1.00 84.46 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -11.222 6.842 3.947 1.00 77.87 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -12.056 7.870 3.953 1.00 74.06 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -12.313 8.526 2.835 1.00 68.02 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -12.640 8.239 5.079 1.00 66.62 4 A 1 ATOM 36 N N . LEU A 1 5 ? -7.119 3.755 4.051 1.00 95.58 5 A 1 ATOM 37 C CA . LEU A 1 5 ? -5.919 4.030 4.829 1.00 95.63 5 A 1 ATOM 38 C C . LEU A 1 5 ? -5.039 2.791 4.925 1.00 96.29 5 A 1 ATOM 39 O O . LEU A 1 5 ? -3.820 2.864 4.775 1.00 95.79 5 A 1 ATOM 40 C CB . LEU A 1 5 ? -6.302 4.504 6.232 1.00 94.57 5 A 1 ATOM 41 C CG . LEU A 1 5 ? -5.117 4.918 7.096 1.00 85.75 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? -4.433 6.140 6.506 1.00 83.52 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? -5.577 5.208 8.518 1.00 83.56 5 A 1 ATOM 44 N N . THR A 1 6 ? -5.673 1.655 5.165 1.00 95.17 6 A 1 ATOM 45 C CA . THR A 1 6 ? -4.956 0.390 5.270 1.00 95.13 6 A 1 ATOM 46 C C . THR A 1 6 ? -4.303 0.032 3.941 1.00 95.78 6 A 1 ATOM 47 O O . THR A 1 6 ? -3.182 -0.469 3.901 1.00 94.84 6 A 1 ATOM 48 C CB . THR A 1 6 ? -5.898 -0.739 5.684 1.00 93.81 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -6.599 -0.382 6.874 1.00 83.73 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -5.122 -2.021 5.928 1.00 82.39 6 A 1 ATOM 51 N N . TYR A 1 7 ? -5.015 0.300 2.862 1.00 95.68 7 A 1 ATOM 52 C CA . TYR A 1 7 ? -4.514 0.009 1.521 1.00 96.06 7 A 1 ATOM 53 C C . TYR A 1 7 ? -3.243 0.798 1.230 1.00 96.42 7 A 1 ATOM 54 O O . TYR A 1 7 ? -2.256 0.251 0.740 1.00 96.03 7 A 1 ATOM 55 C CB . TYR A 1 7 ? -5.585 0.348 0.486 1.00 95.75 7 A 1 ATOM 56 C CG . TYR A 1 7 ? -5.174 -0.026 -0.921 1.00 93.57 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? -4.481 0.870 -1.723 1.00 91.29 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? -5.481 -1.279 -1.439 1.00 91.31 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? -4.096 0.524 -3.006 1.00 89.82 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? -5.100 -1.628 -2.722 1.00 89.73 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? -4.407 -0.725 -3.498 1.00 90.09 7 A 1 ATOM 62 O OH . TYR A 1 7 ? -4.025 -1.067 -4.772 1.00 88.20 7 A 1 ATOM 63 N N . VAL A 1 8 ? -3.282 2.080 1.531 1.00 96.30 8 A 1 ATOM 64 C CA . VAL A 1 8 ? -2.128 2.948 1.308 1.00 96.35 8 A 1 ATOM 65 C C . VAL A 1 8 ? -0.940 2.497 2.149 1.00 96.43 8 A 1 ATOM 66 O O . VAL A 1 8 ? 0.206 2.522 1.695 1.00 95.62 8 A 1 ATOM 67 C CB . VAL A 1 8 ? -2.464 4.409 1.641 1.00 95.79 8 A 1 ATOM 68 C CG1 . VAL A 1 8 ? -1.235 5.296 1.516 1.00 92.49 8 A 1 ATOM 69 C CG2 . VAL A 1 8 ? -3.569 4.910 0.730 1.00 92.20 8 A 1 ATOM 70 N N . PHE A 1 9 ? -1.230 2.092 3.368 1.00 95.68 9 A 1 ATOM 71 C CA . PHE A 1 9 ? -0.185 1.628 4.275 1.00 95.51 9 A 1 ATOM 72 C C . PHE A 1 9 ? 0.467 0.353 3.755 1.00 95.83 9 A 1 ATOM 73 O O . PHE A 1 9 ? 1.687 0.204 3.792 1.00 95.26 9 A 1 ATOM 74 C CB . PHE A 1 9 ? -0.777 1.388 5.661 1.00 94.87 9 A 1 ATOM 75 C CG . PHE A 1 9 ? 0.265 1.060 6.697 1.00 91.95 9 A 1 ATOM 76 C CD1 . PHE A 1 9 ? 1.172 2.019 7.115 1.00 87.76 9 A 1 ATOM 77 C CD2 . PHE A 1 9 ? 0.328 -0.206 7.252 1.00 87.82 9 A 1 ATOM 78 C CE1 . PHE A 1 9 ? 2.131 1.718 8.067 1.00 86.29 9 A 1 ATOM 79 C CE2 . PHE A 1 9 ? 1.287 -0.515 8.207 1.00 85.63 9 A 1 ATOM 80 C CZ . PHE A 1 9 ? 2.190 0.448 8.615 1.00 85.36 9 A 1 ATOM 81 N N . ILE A 1 10 ? -0.356 -0.559 3.271 1.00 95.62 10 A 1 ATOM 82 C CA . ILE A 1 10 ? 0.135 -1.829 2.747 1.00 95.48 10 A 1 ATOM 83 C C . ILE A 1 10 ? 0.951 -1.625 1.475 1.00 95.71 10 A 1 ATOM 84 O O . ILE A 1 10 ? 2.021 -2.215 1.310 1.00 95.19 10 A 1 ATOM 85 C CB . ILE A 1 10 ? -1.028 -2.793 2.462 1.00 95.18 10 A 1 ATOM 86 C CG1 . ILE A 1 10 ? -1.741 -3.161 3.760 1.00 92.63 10 A 1 ATOM 87 C CG2 . ILE A 1 10 ? -0.508 -4.056 1.779 1.00 91.77 10 A 1 ATOM 88 C CD1 . ILE A 1 10 ? -3.018 -3.937 3.546 1.00 84.01 10 A 1 ATOM 89 N N . VAL A 1 11 ? 0.439 -0.802 0.570 1.00 96.25 11 A 1 ATOM 90 C CA . VAL A 1 11 ? 1.137 -0.555 -0.692 1.00 95.98 11 A 1 ATOM 91 C C . VAL A 1 11 ? 2.466 0.150 -0.445 1.00 96.18 11 A 1 ATOM 92 O O . VAL A 1 11 ? 3.441 -0.073 -1.158 1.00 95.46 11 A 1 ATOM 93 C CB . VAL A 1 11 ? 0.274 0.281 -1.655 1.00 95.24 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -0.993 -0.474 -2.027 1.00 92.20 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -0.062 1.631 -1.062 1.00 92.44 11 A 1 ATOM 96 N N . ALA A 1 12 ? 2.491 0.999 0.561 1.00 96.93 12 A 1 ATOM 97 C CA . ALA A 1 12 ? 3.709 1.716 0.913 1.00 96.94 12 A 1 ATOM 98 C C . ALA A 1 12 ? 4.794 0.742 1.359 1.00 97.22 12 A 1 ATOM 99 O O . ALA A 1 12 ? 5.952 0.859 0.957 1.00 96.28 12 A 1 ATOM 100 C CB . ALA A 1 12 ? 3.425 2.723 2.020 1.00 96.38 12 A 1 ATOM 101 N N . ILE A 1 13 ? 4.404 -0.212 2.184 1.00 96.67 13 A 1 ATOM 102 C CA . ILE A 1 13 ? 5.331 -1.226 2.675 1.00 96.41 13 A 1 ATOM 103 C C . ILE A 1 13 ? 5.761 -2.143 1.536 1.00 96.56 13 A 1 ATOM 104 O O . ILE A 1 13 ? 6.927 -2.535 1.441 1.00 95.99 13 A 1 ATOM 105 C CB . ILE A 1 13 ? 4.688 -2.062 3.797 1.00 96.00 13 A 1 ATOM 106 C CG1 . ILE A 1 13 ? 4.338 -1.175 4.991 1.00 93.71 13 A 1 ATOM 107 C CG2 . ILE A 1 13 ? 5.631 -3.183 4.230 1.00 92.66 13 A 1 ATOM 108 C CD1 . ILE A 1 13 ? 3.523 -1.887 6.050 1.00 86.53 13 A 1 ATOM 109 N N . LEU A 1 14 ? 4.811 -2.469 0.688 1.00 95.97 14 A 1 ATOM 110 C CA . LEU A 1 14 ? 5.075 -3.342 -0.453 1.00 96.07 14 A 1 ATOM 111 C C . LEU A 1 14 ? 6.135 -2.739 -1.364 1.00 96.54 14 A 1 ATOM 112 O O . LEU A 1 14 ? 7.048 -3.426 -1.814 1.00 96.16 14 A 1 ATOM 113 C CB . LEU A 1 14 ? 3.787 -3.572 -1.240 1.00 95.58 14 A 1 ATOM 114 C CG . LEU A 1 14 ? 3.937 -4.516 -2.430 1.00 89.78 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? 4.328 -5.906 -1.964 1.00 87.16 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? 2.644 -4.573 -3.227 1.00 87.91 14 A 1 ATOM 117 N N . LYS A 1 15 ? 6.000 -1.451 -1.641 1.00 96.67 15 A 1 ATOM 118 C CA . LYS A 1 15 ? 6.961 -0.760 -2.493 1.00 96.81 15 A 1 ATOM 119 C C . LYS A 1 15 ? 8.313 -0.641 -1.810 1.00 96.79 15 A 1 ATOM 120 O O . LYS A 1 15 ? 9.350 -0.729 -2.460 1.00 95.36 15 A 1 ATOM 121 C CB . LYS A 1 15 ? 6.434 0.630 -2.854 1.00 96.18 15 A 1 ATOM 122 C CG . LYS A 1 15 ? 5.380 0.618 -3.939 1.00 89.87 15 A 1 ATOM 123 C CD . LYS A 1 15 ? 5.966 0.144 -5.257 1.00 85.68 15 A 1 ATOM 124 C CE . LYS A 1 15 ? 7.094 1.035 -5.731 1.00 81.03 15 A 1 ATOM 125 N NZ . LYS A 1 15 ? 7.712 0.529 -6.984 1.00 72.21 15 A 1 ATOM 126 N N . GLY A 1 16 ? 8.288 -0.444 -0.515 1.00 95.81 16 A 1 ATOM 127 C CA . GLY A 1 16 ? 9.512 -0.320 0.256 1.00 95.17 16 A 1 ATOM 128 C C . GLY A 1 16 ? 10.324 -1.598 0.274 1.00 95.63 16 A 1 ATOM 129 O O . GLY A 1 16 ? 11.539 -1.575 0.095 1.00 93.94 16 A 1 ATOM 130 N N . VAL A 1 17 ? 9.642 -2.714 0.497 1.00 94.74 17 A 1 ATOM 131 C CA . VAL A 1 17 ? 10.309 -4.015 0.554 1.00 94.59 17 A 1 ATOM 132 C C . VAL A 1 17 ? 10.624 -4.548 -0.834 1.00 94.94 17 A 1 ATOM 133 O O . VAL A 1 17 ? 11.586 -5.297 -1.019 1.00 92.11 17 A 1 ATOM 134 C CB . VAL A 1 17 ? 9.441 -5.043 1.301 1.00 92.79 17 A 1 ATOM 135 C CG1 . VAL A 1 17 ? 8.157 -5.321 0.535 1.00 84.86 17 A 1 ATOM 136 C CG2 . VAL A 1 17 ? 10.213 -6.330 1.525 1.00 86.63 17 A 1 ATOM 137 N N . LEU A 1 18 ? 9.805 -4.166 -1.807 1.00 92.38 18 A 1 ATOM 138 C CA . LEU A 1 18 ? 9.983 -4.625 -3.180 1.00 92.11 18 A 1 ATOM 139 C C . LEU A 1 18 ? 10.976 -3.755 -3.935 1.00 92.29 18 A 1 ATOM 140 O O . LEU A 1 18 ? 11.533 -4.175 -4.950 1.00 88.53 18 A 1 ATOM 141 C CB . LEU A 1 18 ? 8.636 -4.623 -3.909 1.00 90.04 18 A 1 ATOM 142 C CG . LEU A 1 18 ? 8.655 -5.213 -5.312 1.00 85.42 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? 8.994 -6.692 -5.262 1.00 81.06 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? 7.307 -5.004 -5.992 1.00 78.86 18 A 1 ATOM 145 N N . CYS A 1 19 ? 11.194 -2.547 -3.439 1.00 90.70 19 A 1 ATOM 146 C CA . CYS A 1 19 ? 12.099 -1.585 -4.071 1.00 86.62 19 A 1 ATOM 147 C C . CYS A 1 19 ? 13.465 -2.220 -4.356 1.00 81.52 19 A 1 ATOM 148 O O . CYS A 1 19 ? 13.995 -2.005 -5.459 1.00 72.50 19 A 1 ATOM 149 C CB . CYS A 1 19 ? 12.272 -0.353 -3.185 1.00 78.80 19 A 1 ATOM 150 S SG . CYS A 1 19 ? 13.264 0.932 -3.966 1.00 71.11 19 A 1 ATOM 151 O OXT . CYS A 1 19 ? 13.978 -2.933 -3.484 1.00 69.19 19 A 1 #