# 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_spkb33265 # _entry.id spkb33265 # 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 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LYS 2 1 n THR 3 1 n LEU 4 1 n VAL 5 1 n GLY 6 1 n PHE 7 1 n TYR 8 1 n ILE 9 1 n LEU 10 1 n CYS 11 1 n PHE 12 1 n LEU 13 1 n ILE 14 1 n GLY 15 1 n GLN 16 1 n ASP 17 1 n LEU 18 1 n PRO 19 1 n PHE 20 1 n LEU 21 1 n ALA 22 1 n ALA 23 # _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 @ 2025-07-13 13:23:47)" _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 87.12 _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 81.03 1 1 A LYS 2 2 80.87 1 2 A THR 3 2 86.69 1 3 A LEU 4 2 88.49 1 4 A VAL 5 2 92.55 1 5 A GLY 6 2 94.44 1 6 A PHE 7 2 91.13 1 7 A TYR 8 2 90.28 1 8 A ILE 9 2 92.43 1 9 A LEU 10 2 90.11 1 10 A CYS 11 2 91.24 1 11 A PHE 12 2 89.33 1 12 A LEU 13 2 90.64 1 13 A ILE 14 2 90.61 1 14 A GLY 15 2 91.78 1 15 A GLN 16 2 84.03 1 16 A ASP 17 2 85.29 1 17 A LEU 18 2 84.93 1 18 A PRO 19 2 86.86 1 19 A PHE 20 2 81.60 1 20 A LEU 21 2 82.93 1 21 A ALA 22 2 84.34 1 22 A ALA 23 2 75.07 1 23 # _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -0.011 5.921 17.215 1.00 86.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.745 4.836 16.539 1.00 89.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.153 3.914 15.707 1.00 90.70 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.233 3.550 14.607 1.00 85.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.587 4.035 17.543 1.00 83.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.696 4.912 18.151 1.00 77.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.760 4.001 19.293 1.00 71.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.846 5.323 19.850 1.00 63.10 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.381 3.598 16.172 1.00 88.06 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.334 2.744 15.419 1.00 89.42 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.738 3.340 14.059 1.00 89.99 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.902 2.601 13.093 1.00 86.64 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -3.582 2.457 16.274 1.00 85.18 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -3.275 1.554 17.479 1.00 78.88 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -4.552 1.219 18.264 1.00 75.77 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -4.246 0.267 19.422 1.00 70.51 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.466 -0.082 20.200 1.00 63.37 2 A 1 ATOM 18 N N . THR A 1 3 ? -2.828 4.660 13.953 1.00 88.65 3 A 1 ATOM 19 C CA . THR A 1 3 ? -3.195 5.367 12.714 1.00 91.31 3 A 1 ATOM 20 C C . THR A 1 3 ? -2.150 5.186 11.608 1.00 92.32 3 A 1 ATOM 21 O O . THR A 1 3 ? -2.516 5.034 10.446 1.00 89.30 3 A 1 ATOM 22 C CB . THR A 1 3 ? -3.382 6.864 12.994 1.00 88.95 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -3.987 7.055 14.263 1.00 79.34 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -4.263 7.541 11.953 1.00 76.97 3 A 1 ATOM 25 N N . LEU A 1 4 ? -0.861 5.135 11.955 1.00 92.05 4 A 1 ATOM 26 C CA . LEU A 1 4 ? 0.224 4.909 10.995 1.00 93.20 4 A 1 ATOM 27 C C . LEU A 1 4 ? 0.170 3.493 10.411 1.00 93.51 4 A 1 ATOM 28 O O . LEU A 1 4 ? 0.381 3.320 9.213 1.00 93.04 4 A 1 ATOM 29 C CB . LEU A 1 4 ? 1.582 5.150 11.674 1.00 92.91 4 A 1 ATOM 30 C CG . LEU A 1 4 ? 1.869 6.624 12.007 1.00 85.08 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? 3.122 6.715 12.879 1.00 78.85 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? 2.095 7.456 10.748 1.00 79.25 4 A 1 ATOM 33 N N . VAL A 1 5 ? -0.164 2.491 11.235 1.00 95.16 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -0.322 1.099 10.782 1.00 95.25 5 A 1 ATOM 35 C C . VAL A 1 5 ? -1.510 0.980 9.824 1.00 95.09 5 A 1 ATOM 36 O O . VAL A 1 5 ? -1.384 0.359 8.772 1.00 93.56 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -0.482 0.148 11.983 1.00 93.98 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -0.674 -1.303 11.539 1.00 86.84 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? 0.748 0.208 12.894 1.00 87.95 5 A 1 ATOM 40 N N . GLY A 1 6 ? -2.638 1.620 10.145 1.00 94.85 6 A 1 ATOM 41 C CA . GLY A 1 6 ? -3.805 1.654 9.256 1.00 94.64 6 A 1 ATOM 42 C C . GLY A 1 6 ? -3.500 2.329 7.916 1.00 94.83 6 A 1 ATOM 43 O O . GLY A 1 6 ? -3.864 1.806 6.866 1.00 93.46 6 A 1 ATOM 44 N N . PHE A 1 7 ? -2.760 3.450 7.941 1.00 94.36 7 A 1 ATOM 45 C CA . PHE A 1 7 ? -2.325 4.146 6.728 1.00 94.49 7 A 1 ATOM 46 C C . PHE A 1 7 ? -1.368 3.287 5.892 1.00 94.92 7 A 1 ATOM 47 O O . PHE A 1 7 ? -1.524 3.207 4.677 1.00 94.33 7 A 1 ATOM 48 C CB . PHE A 1 7 ? -1.682 5.479 7.122 1.00 94.36 7 A 1 ATOM 49 C CG . PHE A 1 7 ? -1.369 6.354 5.928 1.00 92.20 7 A 1 ATOM 50 C CD1 . PHE A 1 7 ? -0.065 6.420 5.414 1.00 88.35 7 A 1 ATOM 51 C CD2 . PHE A 1 7 ? -2.397 7.089 5.316 1.00 88.67 7 A 1 ATOM 52 C CE1 . PHE A 1 7 ? 0.214 7.218 4.293 1.00 87.28 7 A 1 ATOM 53 C CE2 . PHE A 1 7 ? -2.121 7.886 4.191 1.00 86.37 7 A 1 ATOM 54 C CZ . PHE A 1 7 ? -0.815 7.950 3.680 1.00 87.10 7 A 1 ATOM 55 N N . TYR A 1 8 ? -0.425 2.584 6.545 1.00 93.46 8 A 1 ATOM 56 C CA . TYR A 1 8 ? 0.497 1.669 5.868 1.00 93.23 8 A 1 ATOM 57 C C . TYR A 1 8 ? -0.244 0.528 5.158 1.00 93.20 8 A 1 ATOM 58 O O . TYR A 1 8 ? 0.046 0.242 3.996 1.00 92.93 8 A 1 ATOM 59 C CB . TYR A 1 8 ? 1.500 1.124 6.889 1.00 94.00 8 A 1 ATOM 60 C CG . TYR A 1 8 ? 2.531 0.214 6.260 1.00 92.13 8 A 1 ATOM 61 C CD1 . TYR A 1 8 ? 2.354 -1.183 6.273 1.00 87.44 8 A 1 ATOM 62 C CD2 . TYR A 1 8 ? 3.660 0.771 5.627 1.00 87.52 8 A 1 ATOM 63 C CE1 . TYR A 1 8 ? 3.300 -2.019 5.657 1.00 86.98 8 A 1 ATOM 64 C CE2 . TYR A 1 8 ? 4.605 -0.061 5.008 1.00 87.39 8 A 1 ATOM 65 C CZ . TYR A 1 8 ? 4.423 -1.454 5.025 1.00 88.78 8 A 1 ATOM 66 O OH . TYR A 1 8 ? 5.347 -2.271 4.421 1.00 86.29 8 A 1 ATOM 67 N N . ILE A 1 9 ? -1.236 -0.082 5.818 1.00 94.22 9 A 1 ATOM 68 C CA . ILE A 1 9 ? -2.068 -1.138 5.224 1.00 93.84 9 A 1 ATOM 69 C C . ILE A 1 9 ? -2.856 -0.588 4.029 1.00 93.61 9 A 1 ATOM 70 O O . ILE A 1 9 ? -2.910 -1.234 2.981 1.00 92.42 9 A 1 ATOM 71 C CB . ILE A 1 9 ? -3.004 -1.749 6.289 1.00 94.28 9 A 1 ATOM 72 C CG1 . ILE A 1 9 ? -2.183 -2.525 7.344 1.00 93.06 9 A 1 ATOM 73 C CG2 . ILE A 1 9 ? -4.038 -2.697 5.649 1.00 91.47 9 A 1 ATOM 74 C CD1 . ILE A 1 9 ? -2.975 -2.856 8.615 1.00 86.55 9 A 1 ATOM 75 N N . LEU A 1 10 ? -3.425 0.610 4.149 1.00 93.01 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -4.145 1.261 3.051 1.00 92.67 10 A 1 ATOM 77 C C . LEU A 1 10 ? -3.221 1.521 1.854 1.00 93.19 10 A 1 ATOM 78 O O . LEU A 1 10 ? -3.572 1.177 0.725 1.00 92.79 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -4.778 2.559 3.579 1.00 92.36 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -5.656 3.275 2.535 1.00 88.26 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -6.930 2.481 2.226 1.00 84.09 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -6.061 4.649 3.067 1.00 84.54 10 A 1 ATOM 83 N N . CYS A 1 11 ? -2.020 2.066 2.084 1.00 92.64 11 A 1 ATOM 84 C CA . CYS A 1 11 ? -1.014 2.277 1.041 1.00 92.54 11 A 1 ATOM 85 C C . CYS A 1 11 ? -0.562 0.958 0.404 1.00 92.60 11 A 1 ATOM 86 O O . CYS A 1 11 ? -0.340 0.914 -0.798 1.00 91.18 11 A 1 ATOM 87 C CB . CYS A 1 11 ? 0.195 3.009 1.637 1.00 91.19 11 A 1 ATOM 88 S SG . CYS A 1 11 ? -0.224 4.736 1.990 1.00 87.31 11 A 1 ATOM 89 N N . PHE A 1 12 ? -0.444 -0.115 1.193 1.00 93.19 12 A 1 ATOM 90 C CA . PHE A 1 12 ? -0.096 -1.441 0.686 1.00 92.63 12 A 1 ATOM 91 C C . PHE A 1 12 ? -1.194 -1.994 -0.230 1.00 93.17 12 A 1 ATOM 92 O O . PHE A 1 12 ? -0.882 -2.482 -1.312 1.00 92.25 12 A 1 ATOM 93 C CB . PHE A 1 12 ? 0.186 -2.375 1.864 1.00 92.71 12 A 1 ATOM 94 C CG . PHE A 1 12 ? 0.671 -3.742 1.425 1.00 90.72 12 A 1 ATOM 95 C CD1 . PHE A 1 12 ? -0.230 -4.815 1.307 1.00 86.20 12 A 1 ATOM 96 C CD2 . PHE A 1 12 ? 2.027 -3.926 1.105 1.00 86.55 12 A 1 ATOM 97 C CE1 . PHE A 1 12 ? 0.218 -6.071 0.868 1.00 84.71 12 A 1 ATOM 98 C CE2 . PHE A 1 12 ? 2.477 -5.183 0.663 1.00 85.15 12 A 1 ATOM 99 C CZ . PHE A 1 12 ? 1.574 -6.255 0.544 1.00 85.31 12 A 1 ATOM 100 N N . LEU A 1 13 ? -2.467 -1.859 0.144 1.00 94.05 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -3.604 -2.285 -0.681 1.00 93.72 13 A 1 ATOM 102 C C . LEU A 1 13 ? -3.668 -1.501 -2.000 1.00 94.09 13 A 1 ATOM 103 O O . LEU A 1 13 ? -3.799 -2.105 -3.061 1.00 93.23 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -4.909 -2.111 0.118 1.00 93.37 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -5.094 -3.136 1.247 1.00 88.37 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -6.255 -2.708 2.149 1.00 83.93 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? -5.398 -4.531 0.708 1.00 84.36 13 A 1 ATOM 108 N N . ILE A 1 14 ? -3.497 -0.182 -1.953 1.00 93.93 14 A 1 ATOM 109 C CA . ILE A 1 14 ? -3.444 0.672 -3.150 1.00 93.36 14 A 1 ATOM 110 C C . ILE A 1 14 ? -2.215 0.323 -4.001 1.00 93.82 14 A 1 ATOM 111 O O . ILE A 1 14 ? -2.308 0.237 -5.223 1.00 92.50 14 A 1 ATOM 112 C CB . ILE A 1 14 ? -3.442 2.160 -2.740 1.00 92.38 14 A 1 ATOM 113 C CG1 . ILE A 1 14 ? -4.768 2.540 -2.035 1.00 89.26 14 A 1 ATOM 114 C CG2 . ILE A 1 14 ? -3.231 3.070 -3.964 1.00 87.39 14 A 1 ATOM 115 C CD1 . ILE A 1 14 ? -4.699 3.876 -1.285 1.00 82.26 14 A 1 ATOM 116 N N . GLY A 1 15 ? -1.071 0.074 -3.367 1.00 92.27 15 A 1 ATOM 117 C CA . GLY A 1 15 ? 0.163 -0.320 -4.043 1.00 91.78 15 A 1 ATOM 118 C C . GLY A 1 15 ? 0.086 -1.686 -4.724 1.00 92.33 15 A 1 ATOM 119 O O . GLY A 1 15 ? 0.775 -1.899 -5.721 1.00 90.73 15 A 1 ATOM 120 N N . GLN A 1 16 ? -0.750 -2.601 -4.234 1.00 91.21 16 A 1 ATOM 121 C CA . GLN A 1 16 ? -1.029 -3.880 -4.900 1.00 91.23 16 A 1 ATOM 122 C C . GLN A 1 16 ? -1.916 -3.702 -6.139 1.00 91.43 16 A 1 ATOM 123 O O . GLN A 1 16 ? -1.797 -4.478 -7.082 1.00 88.59 16 A 1 ATOM 124 C CB . GLN A 1 16 ? -1.702 -4.837 -3.899 1.00 89.40 16 A 1 ATOM 125 C CG . GLN A 1 16 ? -0.717 -5.433 -2.887 1.00 81.29 16 A 1 ATOM 126 C CD . GLN A 1 16 ? 0.011 -6.674 -3.403 1.00 78.70 16 A 1 ATOM 127 O OE1 . GLN A 1 16 ? -0.517 -7.502 -4.117 1.00 73.95 16 A 1 ATOM 128 N NE2 . GLN A 1 16 ? 1.250 -6.874 -3.016 1.00 70.46 16 A 1 ATOM 129 N N . ASP A 1 17 ? -2.771 -2.686 -6.162 1.00 89.41 17 A 1 ATOM 130 C CA . ASP A 1 17 ? -3.636 -2.378 -7.305 1.00 90.42 17 A 1 ATOM 131 C C . ASP A 1 17 ? -2.874 -1.635 -8.418 1.00 91.79 17 A 1 ATOM 132 O O . ASP A 1 17 ? -3.125 -1.844 -9.604 1.00 90.38 17 A 1 ATOM 133 C CB . ASP A 1 17 ? -4.837 -1.567 -6.793 1.00 89.02 17 A 1 ATOM 134 C CG . ASP A 1 17 ? -6.032 -1.672 -7.727 1.00 80.98 17 A 1 ATOM 135 O OD1 . ASP A 1 17 ? -6.306 -0.678 -8.431 1.00 75.19 17 A 1 ATOM 136 O OD2 . ASP A 1 17 ? -6.694 -2.732 -7.690 1.00 75.16 17 A 1 ATOM 137 N N . LEU A 1 18 ? -1.853 -0.832 -8.058 1.00 89.37 18 A 1 ATOM 138 C CA . LEU A 1 18 ? -0.979 -0.121 -8.999 1.00 89.85 18 A 1 ATOM 139 C C . LEU A 1 18 ? -0.330 -1.023 -10.065 1.00 91.29 18 A 1 ATOM 140 O O . LEU A 1 18 ? -0.399 -0.662 -11.240 1.00 89.95 18 A 1 ATOM 141 C CB . LEU A 1 18 ? 0.104 0.667 -8.242 1.00 88.39 18 A 1 ATOM 142 C CG . LEU A 1 18 ? -0.070 2.184 -8.353 1.00 80.68 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? -0.529 2.782 -7.028 1.00 75.02 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? 1.249 2.840 -8.750 1.00 74.92 18 A 1 ATOM 145 N N . PRO A 1 19 ? 0.312 -2.166 -9.724 1.00 88.62 19 A 1 ATOM 146 C CA . PRO A 1 19 ? 0.905 -3.041 -10.739 1.00 88.59 19 A 1 ATOM 147 C C . PRO A 1 19 ? -0.150 -3.691 -11.638 1.00 89.38 19 A 1 ATOM 148 O O . PRO A 1 19 ? 0.152 -3.991 -12.787 1.00 86.11 19 A 1 ATOM 149 C CB . PRO A 1 19 ? 1.717 -4.086 -9.966 1.00 85.90 19 A 1 ATOM 150 C CG . PRO A 1 19 ? 1.067 -4.114 -8.592 1.00 83.18 19 A 1 ATOM 151 C CD . PRO A 1 19 ? 0.618 -2.663 -8.403 1.00 86.23 19 A 1 ATOM 152 N N . PHE A 1 20 ? -1.386 -3.876 -11.162 1.00 88.12 20 A 1 ATOM 153 C CA . PHE A 1 20 ? -2.490 -4.370 -11.980 1.00 88.58 20 A 1 ATOM 154 C C . PHE A 1 20 ? -2.959 -3.307 -12.984 1.00 90.35 20 A 1 ATOM 155 O O . PHE A 1 20 ? -3.290 -3.632 -14.119 1.00 88.72 20 A 1 ATOM 156 C CB . PHE A 1 20 ? -3.633 -4.819 -11.062 1.00 87.00 20 A 1 ATOM 157 C CG . PHE A 1 20 ? -4.667 -5.664 -11.779 1.00 80.95 20 A 1 ATOM 158 C CD1 . PHE A 1 20 ? -5.825 -5.081 -12.310 1.00 77.17 20 A 1 ATOM 159 C CD2 . PHE A 1 20 ? -4.447 -7.041 -11.935 1.00 76.24 20 A 1 ATOM 160 C CE1 . PHE A 1 20 ? -6.766 -5.864 -12.999 1.00 74.73 20 A 1 ATOM 161 C CE2 . PHE A 1 20 ? -5.383 -7.831 -12.626 1.00 74.44 20 A 1 ATOM 162 C CZ . PHE A 1 20 ? -6.541 -7.242 -13.155 1.00 71.35 20 A 1 ATOM 163 N N . LEU A 1 21 ? -2.922 -2.019 -12.588 1.00 87.16 21 A 1 ATOM 164 C CA . LEU A 1 21 ? -3.272 -0.892 -13.459 1.00 87.63 21 A 1 ATOM 165 C C . LEU A 1 21 ? -2.145 -0.524 -14.441 1.00 88.70 21 A 1 ATOM 166 O O . LEU A 1 21 ? -2.411 0.115 -15.460 1.00 88.18 21 A 1 ATOM 167 C CB . LEU A 1 21 ? -3.658 0.306 -12.575 1.00 86.45 21 A 1 ATOM 168 C CG . LEU A 1 21 ? -5.026 0.900 -12.951 1.00 79.44 21 A 1 ATOM 169 C CD1 . LEU A 1 21 ? -6.018 0.723 -11.794 1.00 72.69 21 A 1 ATOM 170 C CD2 . LEU A 1 21 ? -4.921 2.387 -13.266 1.00 73.17 21 A 1 ATOM 171 N N . ALA A 1 22 ? -0.893 -0.906 -14.137 1.00 85.24 22 A 1 ATOM 172 C CA . ALA A 1 22 ? 0.283 -0.650 -14.972 1.00 85.16 22 A 1 ATOM 173 C C . ALA A 1 22 ? 0.597 -1.796 -15.961 1.00 84.63 22 A 1 ATOM 174 O O . ALA A 1 22 ? 1.561 -1.687 -16.717 1.00 83.06 22 A 1 ATOM 175 C CB . ALA A 1 22 ? 1.472 -0.346 -14.049 1.00 83.60 22 A 1 ATOM 176 N N . ALA A 1 23 ? -0.171 -2.889 -15.936 1.00 81.89 23 A 1 ATOM 177 C CA . ALA A 1 23 ? -0.048 -4.026 -16.845 1.00 80.68 23 A 1 ATOM 178 C C . ALA A 1 23 ? -0.953 -3.884 -18.072 1.00 76.50 23 A 1 ATOM 179 O O . ALA A 1 23 ? -2.063 -3.329 -17.934 1.00 71.95 23 A 1 ATOM 180 C CB . ALA A 1 23 ? -0.319 -5.317 -16.073 1.00 74.98 23 A 1 ATOM 181 O OXT . ALA A 1 23 ? -0.536 -4.361 -19.153 1.00 64.42 23 A 1 #