# 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_spkb39093 # _entry.id spkb39093 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([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 ALA 2 1 n VAL 3 1 n ILE 4 1 n ILE 5 1 n SER 6 1 n SER 7 1 n LYS 8 1 n VAL 9 1 n LEU 10 1 n LEU 11 1 n ILE 12 1 n GLN 13 1 n LEU 14 1 n PHE 15 1 n VAL 16 1 n LEU 17 1 n VAL 18 1 n LEU 19 1 n GLY 20 1 n SER 21 1 n PHE 22 1 n SER 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 @ 2025-07-03 16:03:56)" _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 91.05 _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 82.65 1 1 A ALA 2 2 90.76 1 2 A VAL 3 2 90.74 1 3 A ILE 4 2 90.20 1 4 A ILE 5 2 92.15 1 5 A SER 6 2 92.18 1 6 A SER 7 2 93.31 1 7 A LYS 8 2 88.75 1 8 A VAL 9 2 95.28 1 9 A LEU 10 2 92.76 1 10 A LEU 11 2 92.08 1 11 A ILE 12 2 93.91 1 12 A GLN 13 2 90.54 1 13 A LEU 14 2 91.76 1 14 A PHE 15 2 90.66 1 15 A VAL 16 2 96.01 1 16 A LEU 17 2 92.99 1 17 A VAL 18 2 96.30 1 18 A LEU 19 2 93.05 1 19 A GLY 20 2 94.92 1 20 A SER 21 2 92.47 1 21 A PHE 22 2 85.83 1 22 A SER 23 2 80.78 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 ALA . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n SER . 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 ? -0.171 8.707 16.991 1.00 88.52 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.529 7.466 16.582 1.00 90.84 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.314 6.592 15.647 1.00 90.50 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.249 5.940 14.784 1.00 87.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.000 6.676 17.810 1.00 85.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.169 7.406 18.499 1.00 78.08 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.787 6.535 19.952 1.00 73.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.176 7.597 20.402 1.00 67.30 1 A 1 ATOM 9 N N . ALA A 1 2 ? -1.634 6.638 15.740 1.00 88.36 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -2.528 5.873 14.860 1.00 92.10 2 A 1 ATOM 11 C C . ALA A 1 2 ? -2.393 6.232 13.369 1.00 93.07 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.562 5.369 12.511 1.00 90.81 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.961 6.091 15.349 1.00 89.47 2 A 1 ATOM 14 N N . VAL A 1 3 ? -2.018 7.474 13.053 1.00 92.51 3 A 1 ATOM 15 C CA . VAL A 1 3 ? -1.844 7.963 11.670 1.00 94.16 3 A 1 ATOM 16 C C . VAL A 1 3 ? -0.783 7.166 10.900 1.00 95.02 3 A 1 ATOM 17 O O . VAL A 1 3 ? -0.964 6.872 9.720 1.00 93.84 3 A 1 ATOM 18 C CB . VAL A 1 3 ? -1.486 9.462 11.677 1.00 91.31 3 A 1 ATOM 19 C CG1 . VAL A 1 3 ? -1.317 10.020 10.263 1.00 83.62 3 A 1 ATOM 20 C CG2 . VAL A 1 3 ? -2.563 10.283 12.381 1.00 84.72 3 A 1 ATOM 21 N N . ILE A 1 4 ? 0.299 6.759 11.570 1.00 92.33 4 A 1 ATOM 22 C CA . ILE A 1 4 ? 1.389 5.986 10.952 1.00 93.00 4 A 1 ATOM 23 C C . ILE A 1 4 ? 0.892 4.599 10.526 1.00 93.34 4 A 1 ATOM 24 O O . ILE A 1 4 ? 1.235 4.109 9.447 1.00 93.20 4 A 1 ATOM 25 C CB . ILE A 1 4 ? 2.592 5.882 11.914 1.00 92.71 4 A 1 ATOM 26 C CG1 . ILE A 1 4 ? 3.115 7.290 12.292 1.00 88.70 4 A 1 ATOM 27 C CG2 . ILE A 1 4 ? 3.715 5.035 11.296 1.00 86.84 4 A 1 ATOM 28 C CD1 . ILE A 1 4 ? 4.174 7.278 13.402 1.00 81.51 4 A 1 ATOM 29 N N . ILE A 1 5 ? 0.061 3.970 11.353 1.00 94.55 5 A 1 ATOM 30 C CA . ILE A 1 5 ? -0.534 2.663 11.063 1.00 94.31 5 A 1 ATOM 31 C C . ILE A 1 5 ? -1.501 2.793 9.886 1.00 93.97 5 A 1 ATOM 32 O O . ILE A 1 5 ? -1.410 2.019 8.933 1.00 94.04 5 A 1 ATOM 33 C CB . ILE A 1 5 ? -1.214 2.082 12.315 1.00 94.34 5 A 1 ATOM 34 C CG1 . ILE A 1 5 ? -0.194 1.925 13.466 1.00 91.16 5 A 1 ATOM 35 C CG2 . ILE A 1 5 ? -1.862 0.729 11.980 1.00 89.57 5 A 1 ATOM 36 C CD1 . ILE A 1 5 ? -0.832 1.552 14.809 1.00 85.28 5 A 1 ATOM 37 N N . SER A 1 6 ? -2.350 3.808 9.885 1.00 94.93 6 A 1 ATOM 38 C CA . SER A 1 6 ? -3.272 4.088 8.782 1.00 94.64 6 A 1 ATOM 39 C C . SER A 1 6 ? -2.534 4.344 7.465 1.00 94.75 6 A 1 ATOM 40 O O . SER A 1 6 ? -2.938 3.817 6.434 1.00 93.95 6 A 1 ATOM 41 C CB . SER A 1 6 ? -4.149 5.293 9.112 1.00 93.00 6 A 1 ATOM 42 O OG . SER A 1 6 ? -4.946 5.032 10.245 1.00 81.81 6 A 1 ATOM 43 N N . SER A 1 7 ? -1.420 5.071 7.485 1.00 95.02 7 A 1 ATOM 44 C CA . SER A 1 7 ? -0.602 5.315 6.290 1.00 95.26 7 A 1 ATOM 45 C C . SER A 1 7 ? -0.002 4.023 5.729 1.00 96.01 7 A 1 ATOM 46 O O . SER A 1 7 ? 0.012 3.831 4.516 1.00 94.98 7 A 1 ATOM 47 C CB . SER A 1 7 ? 0.525 6.299 6.601 1.00 93.65 7 A 1 ATOM 48 O OG . SER A 1 7 ? -0.002 7.553 6.980 1.00 84.96 7 A 1 ATOM 49 N N . LYS A 1 8 ? 0.457 3.108 6.596 1.00 94.78 8 A 1 ATOM 50 C CA . LYS A 1 8 ? 0.961 1.798 6.158 1.00 94.78 8 A 1 ATOM 51 C C . LYS A 1 8 ? -0.140 0.948 5.531 1.00 95.38 8 A 1 ATOM 52 O O . LYS A 1 8 ? 0.084 0.347 4.485 1.00 94.87 8 A 1 ATOM 53 C CB . LYS A 1 8 ? 1.613 1.050 7.323 1.00 94.58 8 A 1 ATOM 54 C CG . LYS A 1 8 ? 2.991 1.628 7.658 1.00 88.72 8 A 1 ATOM 55 C CD . LYS A 1 8 ? 3.726 0.716 8.638 1.00 84.01 8 A 1 ATOM 56 C CE . LYS A 1 8 ? 5.144 1.234 8.884 1.00 80.40 8 A 1 ATOM 57 N NZ . LYS A 1 8 ? 6.051 0.147 9.335 1.00 71.23 8 A 1 ATOM 58 N N . VAL A 1 9 ? -1.321 0.925 6.127 1.00 96.85 9 A 1 ATOM 59 C CA . VAL A 1 9 ? -2.483 0.206 5.589 1.00 97.08 9 A 1 ATOM 60 C C . VAL A 1 9 ? -2.888 0.778 4.229 1.00 97.32 9 A 1 ATOM 61 O O . VAL A 1 9 ? -3.124 0.013 3.295 1.00 96.47 9 A 1 ATOM 62 C CB . VAL A 1 9 ? -3.652 0.249 6.584 1.00 96.21 9 A 1 ATOM 63 C CG1 . VAL A 1 9 ? -4.933 -0.346 6.000 1.00 91.30 9 A 1 ATOM 64 C CG2 . VAL A 1 9 ? -3.304 -0.548 7.844 1.00 91.76 9 A 1 ATOM 65 N N . LEU A 1 10 ? -2.887 2.098 4.084 1.00 96.87 10 A 1 ATOM 66 C CA . LEU A 1 10 ? -3.200 2.763 2.819 1.00 95.96 10 A 1 ATOM 67 C C . LEU A 1 10 ? -2.204 2.388 1.714 1.00 96.56 10 A 1 ATOM 68 O O . LEU A 1 10 ? -2.611 2.101 0.590 1.00 96.11 10 A 1 ATOM 69 C CB . LEU A 1 10 ? -3.207 4.283 3.051 1.00 95.39 10 A 1 ATOM 70 C CG . LEU A 1 10 ? -3.994 5.029 1.963 1.00 89.04 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? -5.451 5.220 2.400 1.00 85.31 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? -3.383 6.400 1.702 1.00 86.82 10 A 1 ATOM 73 N N . LEU A 1 11 ? -0.906 2.334 2.026 1.00 96.52 11 A 1 ATOM 74 C CA . LEU A 1 11 ? 0.136 1.921 1.082 1.00 96.39 11 A 1 ATOM 75 C C . LEU A 1 11 ? -0.045 0.468 0.632 1.00 96.84 11 A 1 ATOM 76 O O . LEU A 1 11 ? 0.073 0.178 -0.557 1.00 96.73 11 A 1 ATOM 77 C CB . LEU A 1 11 ? 1.515 2.107 1.730 1.00 95.69 11 A 1 ATOM 78 C CG . LEU A 1 11 ? 1.997 3.564 1.758 1.00 85.78 11 A 1 ATOM 79 C CD1 . LEU A 1 11 ? 3.224 3.679 2.662 1.00 83.87 11 A 1 ATOM 80 C CD2 . LEU A 1 11 ? 2.383 4.056 0.363 1.00 84.80 11 A 1 ATOM 81 N N . ILE A 1 12 ? -0.360 -0.430 1.558 1.00 95.85 12 A 1 ATOM 82 C CA . ILE A 1 12 ? -0.635 -1.836 1.238 1.00 95.44 12 A 1 ATOM 83 C C . ILE A 1 12 ? -1.873 -1.936 0.345 1.00 95.63 12 A 1 ATOM 84 O O . ILE A 1 12 ? -1.854 -2.648 -0.656 1.00 94.91 12 A 1 ATOM 85 C CB . ILE A 1 12 ? -0.793 -2.657 2.530 1.00 95.46 12 A 1 ATOM 86 C CG1 . ILE A 1 12 ? 0.550 -2.735 3.290 1.00 93.06 12 A 1 ATOM 87 C CG2 . ILE A 1 12 ? -1.291 -4.086 2.218 1.00 92.41 12 A 1 ATOM 88 C CD1 . ILE A 1 12 ? 0.399 -3.188 4.745 1.00 88.54 12 A 1 ATOM 89 N N . GLN A 1 13 ? -2.922 -1.196 0.662 1.00 96.53 13 A 1 ATOM 90 C CA . GLN A 1 13 ? -4.156 -1.184 -0.122 1.00 96.32 13 A 1 ATOM 91 C C . GLN A 1 13 ? -3.915 -0.657 -1.542 1.00 96.63 13 A 1 ATOM 92 O O . GLN A 1 13 ? -4.400 -1.248 -2.509 1.00 95.29 13 A 1 ATOM 93 C CB . GLN A 1 13 ? -5.196 -0.351 0.631 1.00 95.92 13 A 1 ATOM 94 C CG . GLN A 1 13 ? -6.599 -0.554 0.051 1.00 90.26 13 A 1 ATOM 95 C CD . GLN A 1 13 ? -7.671 0.148 0.883 1.00 85.66 13 A 1 ATOM 96 O OE1 . GLN A 1 13 ? -7.411 1.022 1.696 1.00 80.52 13 A 1 ATOM 97 N NE2 . GLN A 1 13 ? -8.923 -0.207 0.711 1.00 77.71 13 A 1 ATOM 98 N N . LEU A 1 14 ? -3.115 0.397 -1.684 1.00 96.09 14 A 1 ATOM 99 C CA . LEU A 1 14 ? -2.712 0.926 -2.985 1.00 95.74 14 A 1 ATOM 100 C C . LEU A 1 14 ? -1.905 -0.105 -3.780 1.00 96.34 14 A 1 ATOM 101 O O . LEU A 1 14 ? -2.157 -0.303 -4.965 1.00 95.89 14 A 1 ATOM 102 C CB . LEU A 1 14 ? -1.893 2.207 -2.758 1.00 95.26 14 A 1 ATOM 103 C CG . LEU A 1 14 ? -1.656 2.992 -4.060 1.00 86.53 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? -2.890 3.815 -4.436 1.00 83.34 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? -0.477 3.948 -3.884 1.00 84.92 14 A 1 ATOM 106 N N . PHE A 1 15 ? -0.963 -0.800 -3.129 1.00 94.68 15 A 1 ATOM 107 C CA . PHE A 1 15 ? -0.146 -1.837 -3.761 1.00 94.48 15 A 1 ATOM 108 C C . PHE A 1 15 ? -0.996 -3.009 -4.264 1.00 95.80 15 A 1 ATOM 109 O O . PHE A 1 15 ? -0.826 -3.450 -5.399 1.00 95.40 15 A 1 ATOM 110 C CB . PHE A 1 15 ? 0.907 -2.302 -2.755 1.00 94.18 15 A 1 ATOM 111 C CG . PHE A 1 15 ? 1.885 -3.295 -3.335 1.00 90.38 15 A 1 ATOM 112 C CD1 . PHE A 1 15 ? 1.792 -4.657 -3.010 1.00 86.94 15 A 1 ATOM 113 C CD2 . PHE A 1 15 ? 2.891 -2.849 -4.205 1.00 87.30 15 A 1 ATOM 114 C CE1 . PHE A 1 15 ? 2.709 -5.573 -3.542 1.00 85.18 15 A 1 ATOM 115 C CE2 . PHE A 1 15 ? 3.806 -3.767 -4.745 1.00 86.18 15 A 1 ATOM 116 C CZ . PHE A 1 15 ? 3.718 -5.127 -4.415 1.00 86.72 15 A 1 ATOM 117 N N . VAL A 1 16 ? -1.950 -3.473 -3.457 1.00 97.28 16 A 1 ATOM 118 C CA . VAL A 1 16 ? -2.891 -4.533 -3.854 1.00 97.36 16 A 1 ATOM 119 C C . VAL A 1 16 ? -3.769 -4.074 -5.017 1.00 97.53 16 A 1 ATOM 120 O O . VAL A 1 16 ? -4.003 -4.845 -5.946 1.00 96.83 16 A 1 ATOM 121 C CB . VAL A 1 16 ? -3.744 -4.968 -2.651 1.00 96.59 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? -4.868 -5.935 -3.037 1.00 93.33 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? -2.878 -5.680 -1.608 1.00 93.13 16 A 1 ATOM 124 N N . LEU A 1 17 ? -4.212 -2.825 -5.010 1.00 97.52 17 A 1 ATOM 125 C CA . LEU A 1 17 ? -5.029 -2.268 -6.087 1.00 97.03 17 A 1 ATOM 126 C C . LEU A 1 17 ? -4.240 -2.179 -7.400 1.00 97.14 17 A 1 ATOM 127 O O . LEU A 1 17 ? -4.762 -2.544 -8.453 1.00 96.10 17 A 1 ATOM 128 C CB . LEU A 1 17 ? -5.574 -0.908 -5.621 1.00 96.33 17 A 1 ATOM 129 C CG . LEU A 1 17 ? -6.688 -0.364 -6.533 1.00 89.23 17 A 1 ATOM 130 C CD1 . LEU A 1 17 ? -7.797 0.259 -5.681 1.00 85.06 17 A 1 ATOM 131 C CD2 . LEU A 1 17 ? -6.171 0.701 -7.490 1.00 85.52 17 A 1 ATOM 132 N N . VAL A 1 18 ? -2.975 -1.758 -7.343 1.00 97.76 18 A 1 ATOM 133 C CA . VAL A 1 18 ? -2.086 -1.713 -8.514 1.00 97.60 18 A 1 ATOM 134 C C . VAL A 1 18 ? -1.825 -3.119 -9.053 1.00 97.63 18 A 1 ATOM 135 O O . VAL A 1 18 ? -1.950 -3.334 -10.257 1.00 96.79 18 A 1 ATOM 136 C CB . VAL A 1 18 ? -0.773 -0.986 -8.169 1.00 96.81 18 A 1 ATOM 137 C CG1 . VAL A 1 18 ? 0.267 -1.090 -9.282 1.00 93.67 18 A 1 ATOM 138 C CG2 . VAL A 1 18 ? -1.033 0.504 -7.936 1.00 93.84 18 A 1 ATOM 139 N N . LEU A 1 19 ? -1.526 -4.087 -8.186 1.00 97.20 19 A 1 ATOM 140 C CA . LEU A 1 19 ? -1.345 -5.483 -8.593 1.00 96.85 19 A 1 ATOM 141 C C . LEU A 1 19 ? -2.619 -6.066 -9.206 1.00 96.73 19 A 1 ATOM 142 O O . LEU A 1 19 ? -2.554 -6.700 -10.257 1.00 95.66 19 A 1 ATOM 143 C CB . LEU A 1 19 ? -0.918 -6.318 -7.378 1.00 96.04 19 A 1 ATOM 144 C CG . LEU A 1 19 ? 0.579 -6.215 -7.058 1.00 91.07 19 A 1 ATOM 145 C CD1 . LEU A 1 19 ? 0.825 -6.880 -5.702 1.00 86.39 19 A 1 ATOM 146 C CD2 . LEU A 1 19 ? 1.437 -6.929 -8.095 1.00 84.44 19 A 1 ATOM 147 N N . GLY A 1 20 ? -3.765 -5.827 -8.591 1.00 96.15 20 A 1 ATOM 148 C CA . GLY A 1 20 ? -5.058 -6.277 -9.114 1.00 94.87 20 A 1 ATOM 149 C C . GLY A 1 20 ? -5.426 -5.629 -10.450 1.00 95.00 20 A 1 ATOM 150 O O . GLY A 1 20 ? -6.070 -6.265 -11.276 1.00 93.65 20 A 1 ATOM 151 N N . SER A 1 21 ? -4.978 -4.399 -10.700 1.00 95.42 21 A 1 ATOM 152 C CA . SER A 1 21 ? -5.173 -3.722 -11.989 1.00 94.96 21 A 1 ATOM 153 C C . SER A 1 21 ? -4.209 -4.205 -13.076 1.00 94.32 21 A 1 ATOM 154 O O . SER A 1 21 ? -4.466 -3.973 -14.256 1.00 91.89 21 A 1 ATOM 155 C CB . SER A 1 21 ? -5.020 -2.212 -11.809 1.00 93.45 21 A 1 ATOM 156 O OG . SER A 1 21 ? -5.421 -1.541 -12.991 1.00 84.78 21 A 1 ATOM 157 N N . PHE A 1 22 ? -3.080 -4.818 -12.690 1.00 93.29 22 A 1 ATOM 158 C CA . PHE A 1 22 ? -2.067 -5.315 -13.623 1.00 92.30 22 A 1 ATOM 159 C C . PHE A 1 22 ? -2.318 -6.772 -14.043 1.00 92.73 22 A 1 ATOM 160 O O . PHE A 1 22 ? -1.775 -7.219 -15.051 1.00 90.09 22 A 1 ATOM 161 C CB . PHE A 1 22 ? -0.682 -5.137 -12.989 1.00 89.95 22 A 1 ATOM 162 C CG . PHE A 1 22 ? 0.430 -4.976 -14.000 1.00 86.18 22 A 1 ATOM 163 C CD1 . PHE A 1 22 ? 1.134 -6.090 -14.467 1.00 81.26 22 A 1 ATOM 164 C CD2 . PHE A 1 22 ? 0.744 -3.702 -14.489 1.00 80.87 22 A 1 ATOM 165 C CE1 . PHE A 1 22 ? 2.155 -5.940 -15.418 1.00 78.63 22 A 1 ATOM 166 C CE2 . PHE A 1 22 ? 1.762 -3.539 -15.442 1.00 79.11 22 A 1 ATOM 167 C CZ . PHE A 1 22 ? 2.471 -4.659 -15.904 1.00 79.74 22 A 1 ATOM 168 N N . SER A 1 23 ? -3.143 -7.492 -13.279 1.00 89.34 23 A 1 ATOM 169 C CA . SER A 1 23 ? -3.529 -8.886 -13.563 1.00 87.47 23 A 1 ATOM 170 C C . SER A 1 23 ? -4.869 -8.957 -14.283 1.00 82.04 23 A 1 ATOM 171 O O . SER A 1 23 ? -4.992 -9.793 -15.199 1.00 76.19 23 A 1 ATOM 172 C CB . SER A 1 23 ? -3.602 -9.701 -12.272 1.00 81.02 23 A 1 ATOM 173 O OG . SER A 1 23 ? -2.320 -9.831 -11.702 1.00 73.89 23 A 1 ATOM 174 O OXT . SER A 1 23 ? -5.780 -8.180 -13.885 1.00 75.50 23 A 1 #