# 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_spkb40291 # _entry.id spkb40291 # 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 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" "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 ALA 2 1 n VAL 3 1 n GLN 4 1 n LYS 5 1 n TYR 6 1 n THR 7 1 n VAL 8 1 n ALA 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n ALA 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n VAL 17 1 n ALA 18 1 n GLY 19 1 n PRO 20 1 n ALA 21 1 n ALA 22 1 n SER 23 1 n TYR 24 1 n ALA 25 # _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 @ 2025-07-05 00:30:41)" _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 93.93 _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 82.91 1 1 A ALA 2 2 94.23 1 2 A VAL 3 2 95.41 1 3 A GLN 4 2 92.11 1 4 A LYS 5 2 92.61 1 5 A TYR 6 2 94.46 1 6 A THR 7 2 96.30 1 7 A VAL 8 2 97.55 1 8 A ALA 9 2 98.34 1 9 A LEU 10 2 95.72 1 10 A PHE 11 2 94.73 1 11 A LEU 12 2 95.75 1 12 A ALA 13 2 98.12 1 13 A VAL 14 2 97.53 1 14 A ALA 15 2 97.74 1 15 A LEU 16 2 95.36 1 16 A VAL 17 2 96.92 1 17 A ALA 18 2 96.97 1 18 A GLY 19 2 95.58 1 19 A PRO 20 2 95.40 1 20 A ALA 21 2 94.97 1 21 A ALA 22 2 94.51 1 22 A SER 23 2 91.61 1 23 A TYR 24 2 87.94 1 24 A ALA 25 2 84.62 1 25 # _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 GLN . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n TYR . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? 4.463 -18.543 8.026 1.00 89.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.023 -17.171 7.718 1.00 91.15 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.125 -17.190 6.486 1.00 92.03 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.501 -17.761 5.467 1.00 87.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.227 -16.260 7.450 1.00 84.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.114 -16.098 8.679 1.00 78.06 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.634 -15.202 8.324 1.00 73.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.382 -15.169 9.954 1.00 65.96 1 A 1 ATOM 9 N N . ALA A 1 2 ? 1.970 -16.589 6.580 1.00 92.12 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 1.021 -16.572 5.474 1.00 94.98 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.325 -15.426 4.504 1.00 96.38 2 A 1 ATOM 12 O O . ALA A 1 2 ? 1.818 -14.373 4.910 1.00 95.18 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.401 -16.451 6.016 1.00 92.47 2 A 1 ATOM 14 N N . VAL A 1 3 ? 1.000 -15.630 3.232 1.00 96.64 3 A 1 ATOM 15 C CA . VAL A 1 3 ? 1.210 -14.618 2.189 1.00 97.44 3 A 1 ATOM 16 C C . VAL A 1 3 ? 0.323 -13.398 2.434 1.00 97.87 3 A 1 ATOM 17 O O . VAL A 1 3 ? 0.626 -12.288 1.997 1.00 97.40 3 A 1 ATOM 18 C CB . VAL A 1 3 ? 0.924 -15.211 0.800 1.00 96.26 3 A 1 ATOM 19 C CG1 . VAL A 1 3 ? 1.247 -14.211 -0.301 1.00 91.07 3 A 1 ATOM 20 C CG2 . VAL A 1 3 ? 1.719 -16.489 0.584 1.00 91.19 3 A 1 ATOM 21 N N . GLN A 1 4 ? -0.754 -13.608 3.164 1.00 97.47 4 A 1 ATOM 22 C CA . GLN A 1 4 ? -1.711 -12.554 3.496 1.00 97.63 4 A 1 ATOM 23 C C . GLN A 1 4 ? -1.043 -11.385 4.223 1.00 97.94 4 A 1 ATOM 24 O O . GLN A 1 4 ? -1.435 -10.230 4.045 1.00 97.50 4 A 1 ATOM 25 C CB . GLN A 1 4 ? -2.822 -13.135 4.374 1.00 97.11 4 A 1 ATOM 26 C CG . GLN A 1 4 ? -3.616 -14.228 3.693 1.00 91.87 4 A 1 ATOM 27 C CD . GLN A 1 4 ? -4.537 -14.953 4.660 1.00 88.38 4 A 1 ATOM 28 O OE1 . GLN A 1 4 ? -4.145 -15.916 5.301 1.00 81.16 4 A 1 ATOM 29 N NE2 . GLN A 1 4 ? -5.762 -14.495 4.800 1.00 79.96 4 A 1 ATOM 30 N N . LYS A 1 5 ? -0.022 -11.680 5.006 1.00 97.65 5 A 1 ATOM 31 C CA . LYS A 1 5 ? 0.708 -10.654 5.749 1.00 97.73 5 A 1 ATOM 32 C C . LYS A 1 5 ? 1.397 -9.675 4.804 1.00 97.96 5 A 1 ATOM 33 O O . LYS A 1 5 ? 1.364 -8.463 5.022 1.00 97.95 5 A 1 ATOM 34 C CB . LYS A 1 5 ? 1.724 -11.329 6.681 1.00 97.25 5 A 1 ATOM 35 C CG . LYS A 1 5 ? 2.558 -10.348 7.501 1.00 93.08 5 A 1 ATOM 36 C CD . LYS A 1 5 ? 1.698 -9.494 8.417 1.00 89.74 5 A 1 ATOM 37 C CE . LYS A 1 5 ? 2.557 -8.593 9.288 1.00 84.18 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? 1.731 -7.626 10.054 1.00 77.99 5 A 1 ATOM 39 N N . TYR A 1 6 ? 2.003 -10.200 3.742 1.00 97.86 6 A 1 ATOM 40 C CA . TYR A 1 6 ? 2.678 -9.365 2.752 1.00 97.84 6 A 1 ATOM 41 C C . TYR A 1 6 ? 1.678 -8.524 1.959 1.00 97.98 6 A 1 ATOM 42 O O . TYR A 1 6 ? 1.934 -7.360 1.657 1.00 97.80 6 A 1 ATOM 43 C CB . TYR A 1 6 ? 3.497 -10.236 1.797 1.00 97.66 6 A 1 ATOM 44 C CG . TYR A 1 6 ? 4.848 -10.615 2.361 1.00 95.67 6 A 1 ATOM 45 C CD1 . TYR A 1 6 ? 5.917 -9.725 2.280 1.00 92.13 6 A 1 ATOM 46 C CD2 . TYR A 1 6 ? 5.045 -11.855 2.961 1.00 92.47 6 A 1 ATOM 47 C CE1 . TYR A 1 6 ? 7.162 -10.065 2.792 1.00 91.09 6 A 1 ATOM 48 C CE2 . TYR A 1 6 ? 6.288 -12.202 3.481 1.00 91.60 6 A 1 ATOM 49 C CZ . TYR A 1 6 ? 7.343 -11.302 3.389 1.00 91.36 6 A 1 ATOM 50 O OH . TYR A 1 6 ? 8.574 -11.643 3.893 1.00 90.05 6 A 1 ATOM 51 N N . THR A 1 7 ? 0.527 -9.103 1.653 1.00 97.88 7 A 1 ATOM 52 C CA . THR A 1 7 ? -0.521 -8.403 0.910 1.00 97.93 7 A 1 ATOM 53 C C . THR A 1 7 ? -1.060 -7.213 1.704 1.00 98.14 7 A 1 ATOM 54 O O . THR A 1 7 ? -1.228 -6.122 1.165 1.00 97.95 7 A 1 ATOM 55 C CB . THR A 1 7 ? -1.674 -9.359 0.578 1.00 97.62 7 A 1 ATOM 56 O OG1 . THR A 1 7 ? -1.159 -10.535 -0.029 1.00 93.61 7 A 1 ATOM 57 C CG2 . THR A 1 7 ? -2.666 -8.717 -0.373 1.00 91.00 7 A 1 ATOM 58 N N . VAL A 1 8 ? -1.305 -7.419 2.984 1.00 98.33 8 A 1 ATOM 59 C CA . VAL A 1 8 ? -1.808 -6.359 3.861 1.00 98.29 8 A 1 ATOM 60 C C . VAL A 1 8 ? -0.775 -5.247 4.027 1.00 98.34 8 A 1 ATOM 61 O O . VAL A 1 8 ? -1.110 -4.062 3.981 1.00 98.11 8 A 1 ATOM 62 C CB . VAL A 1 8 ? -2.201 -6.928 5.233 1.00 97.95 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? -2.609 -5.818 6.198 1.00 96.02 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? -3.346 -7.922 5.092 1.00 95.81 8 A 1 ATOM 65 N N . ALA A 1 9 ? 0.474 -5.629 4.202 1.00 98.47 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 1.558 -4.664 4.367 1.00 98.43 9 A 1 ATOM 67 C C . ALA A 1 9 ? 1.735 -3.799 3.117 1.00 98.45 9 A 1 ATOM 68 O O . ALA A 1 9 ? 1.922 -2.585 3.215 1.00 98.14 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 2.855 -5.402 4.687 1.00 98.22 9 A 1 ATOM 70 N N . LEU A 1 10 ? 1.657 -4.415 1.955 1.00 98.27 10 A 1 ATOM 71 C CA . LEU A 1 10 ? 1.785 -3.703 0.685 1.00 98.12 10 A 1 ATOM 72 C C . LEU A 1 10 ? 0.616 -2.744 0.473 1.00 98.25 10 A 1 ATOM 73 O O . LEU A 1 10 ? 0.803 -1.601 0.061 1.00 98.16 10 A 1 ATOM 74 C CB . LEU A 1 10 ? 1.861 -4.710 -0.466 1.00 97.81 10 A 1 ATOM 75 C CG . LEU A 1 10 ? 2.239 -4.092 -1.815 1.00 92.06 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? 3.699 -3.662 -1.829 1.00 91.29 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? 1.982 -5.085 -2.941 1.00 91.84 10 A 1 ATOM 78 N N . PHE A 1 11 ? -0.580 -3.212 0.768 1.00 97.97 11 A 1 ATOM 79 C CA . PHE A 1 11 ? -1.789 -2.399 0.643 1.00 97.83 11 A 1 ATOM 80 C C . PHE A 1 11 ? -1.720 -1.162 1.535 1.00 98.09 11 A 1 ATOM 81 O O . PHE A 1 11 ? -2.068 -0.057 1.114 1.00 97.86 11 A 1 ATOM 82 C CB . PHE A 1 11 ? -3.011 -3.245 1.003 1.00 97.47 11 A 1 ATOM 83 C CG . PHE A 1 11 ? -4.290 -2.454 1.023 1.00 94.43 11 A 1 ATOM 84 C CD1 . PHE A 1 11 ? -4.899 -2.068 -0.166 1.00 91.98 11 A 1 ATOM 85 C CD2 . PHE A 1 11 ? -4.876 -2.088 2.231 1.00 92.69 11 A 1 ATOM 86 C CE1 . PHE A 1 11 ? -6.077 -1.328 -0.150 1.00 91.10 11 A 1 ATOM 87 C CE2 . PHE A 1 11 ? -6.052 -1.343 2.249 1.00 91.13 11 A 1 ATOM 88 C CZ . PHE A 1 11 ? -6.653 -0.962 1.057 1.00 91.45 11 A 1 ATOM 89 N N . LEU A 1 12 ? -1.259 -1.352 2.749 1.00 98.19 12 A 1 ATOM 90 C CA . LEU A 1 12 ? -1.126 -0.255 3.703 1.00 98.05 12 A 1 ATOM 91 C C . LEU A 1 12 ? -0.100 0.771 3.229 1.00 98.25 12 A 1 ATOM 92 O O . LEU A 1 12 ? -0.313 1.976 3.364 1.00 98.21 12 A 1 ATOM 93 C CB . LEU A 1 12 ? -0.720 -0.810 5.070 1.00 97.76 12 A 1 ATOM 94 C CG . LEU A 1 12 ? -0.718 0.225 6.194 1.00 92.18 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? -2.132 0.704 6.496 1.00 91.11 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? -0.084 -0.355 7.447 1.00 92.22 12 A 1 ATOM 97 N N . ALA A 1 13 ? 1.002 0.299 2.670 1.00 98.25 13 A 1 ATOM 98 C CA . ALA A 1 13 ? 2.052 1.176 2.160 1.00 98.20 13 A 1 ATOM 99 C C . ALA A 1 13 ? 1.545 2.044 1.005 1.00 98.32 13 A 1 ATOM 100 O O . ALA A 1 13 ? 1.807 3.246 0.963 1.00 97.92 13 A 1 ATOM 101 C CB . ALA A 1 13 ? 3.250 0.339 1.713 1.00 97.89 13 A 1 ATOM 102 N N . VAL A 1 14 ? 0.806 1.454 0.090 1.00 98.13 14 A 1 ATOM 103 C CA . VAL A 1 14 ? 0.237 2.177 -1.051 1.00 97.98 14 A 1 ATOM 104 C C . VAL A 1 14 ? -0.790 3.202 -0.585 1.00 98.07 14 A 1 ATOM 105 O O . VAL A 1 14 ? -0.786 4.348 -1.040 1.00 97.78 14 A 1 ATOM 106 C CB . VAL A 1 14 ? -0.403 1.204 -2.053 1.00 97.58 14 A 1 ATOM 107 C CG1 . VAL A 1 14 ? -1.096 1.961 -3.183 1.00 96.65 14 A 1 ATOM 108 C CG2 . VAL A 1 14 ? 0.644 0.268 -2.632 1.00 96.53 14 A 1 ATOM 109 N N . ALA A 1 15 ? -1.651 2.806 0.327 1.00 98.15 15 A 1 ATOM 110 C CA . ALA A 1 15 ? -2.683 3.691 0.858 1.00 97.92 15 A 1 ATOM 111 C C . ALA A 1 15 ? -2.080 4.856 1.644 1.00 97.95 15 A 1 ATOM 112 O O . ALA A 1 15 ? -2.627 5.960 1.640 1.00 97.15 15 A 1 ATOM 113 C CB . ALA A 1 15 ? -3.633 2.889 1.744 1.00 97.53 15 A 1 ATOM 114 N N . LEU A 1 16 ? -0.959 4.625 2.291 1.00 97.80 16 A 1 ATOM 115 C CA . LEU A 1 16 ? -0.281 5.654 3.075 1.00 97.48 16 A 1 ATOM 116 C C . LEU A 1 16 ? 0.344 6.722 2.181 1.00 97.61 16 A 1 ATOM 117 O O . LEU A 1 16 ? 0.240 7.918 2.458 1.00 97.10 16 A 1 ATOM 118 C CB . LEU A 1 16 ? 0.795 5.003 3.947 1.00 97.06 16 A 1 ATOM 119 C CG . LEU A 1 16 ? 1.465 5.954 4.938 1.00 93.20 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? 0.522 6.299 6.082 1.00 91.12 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 2.744 5.336 5.482 1.00 91.48 16 A 1 ATOM 122 N N . VAL A 1 17 ? 0.993 6.298 1.110 1.00 98.02 17 A 1 ATOM 123 C CA . VAL A 1 17 ? 1.677 7.212 0.194 1.00 97.75 17 A 1 ATOM 124 C C . VAL A 1 17 ? 0.710 7.849 -0.799 1.00 97.69 17 A 1 ATOM 125 O O . VAL A 1 17 ? 0.708 9.071 -0.982 1.00 97.06 17 A 1 ATOM 126 C CB . VAL A 1 17 ? 2.804 6.483 -0.562 1.00 97.05 17 A 1 ATOM 127 C CG1 . VAL A 1 17 ? 3.496 7.421 -1.544 1.00 95.07 17 A 1 ATOM 128 C CG2 . VAL A 1 17 ? 3.830 5.920 0.413 1.00 95.79 17 A 1 ATOM 129 N N . ALA A 1 18 ? -0.110 7.032 -1.431 1.00 97.88 18 A 1 ATOM 130 C CA . ALA A 1 18 ? -1.045 7.496 -2.454 1.00 97.40 18 A 1 ATOM 131 C C . ALA A 1 18 ? -2.397 7.919 -1.872 1.00 97.16 18 A 1 ATOM 132 O O . ALA A 1 18 ? -3.335 8.207 -2.613 1.00 95.66 18 A 1 ATOM 133 C CB . ALA A 1 18 ? -1.227 6.409 -3.512 1.00 96.76 18 A 1 ATOM 134 N N . GLY A 1 19 ? -2.492 7.958 -0.568 1.00 96.20 19 A 1 ATOM 135 C CA . GLY A 1 19 ? -3.717 8.352 0.109 1.00 95.17 19 A 1 ATOM 136 C C . GLY A 1 19 ? -3.684 9.795 0.582 1.00 95.78 19 A 1 ATOM 137 O O . GLY A 1 19 ? -3.895 10.710 -0.214 1.00 95.17 19 A 1 ATOM 138 N N . PRO A 1 20 ? -3.402 10.022 1.863 1.00 96.70 20 A 1 ATOM 139 C CA . PRO A 1 20 ? -3.389 11.375 2.432 1.00 96.14 20 A 1 ATOM 140 C C . PRO A 1 20 ? -2.377 12.300 1.769 1.00 96.33 20 A 1 ATOM 141 O O . PRO A 1 20 ? -2.673 13.472 1.546 1.00 94.86 20 A 1 ATOM 142 C CB . PRO A 1 20 ? -3.027 11.155 3.904 1.00 94.89 20 A 1 ATOM 143 C CG . PRO A 1 20 ? -3.365 9.725 4.175 1.00 93.43 20 A 1 ATOM 144 C CD . PRO A 1 20 ? -3.125 9.007 2.868 1.00 95.48 20 A 1 ATOM 145 N N . ALA A 1 21 ? -1.193 11.792 1.456 1.00 95.76 21 A 1 ATOM 146 C CA . ALA A 1 21 ? -0.129 12.603 0.866 1.00 95.38 21 A 1 ATOM 147 C C . ALA A 1 21 ? -0.487 13.087 -0.540 1.00 95.47 21 A 1 ATOM 148 O O . ALA A 1 21 ? -0.277 14.254 -0.870 1.00 94.09 21 A 1 ATOM 149 C CB . ALA A 1 21 ? 1.173 11.807 0.843 1.00 94.17 21 A 1 ATOM 150 N N . ALA A 1 22 ? -1.024 12.207 -1.366 1.00 95.57 22 A 1 ATOM 151 C CA . ALA A 1 22 ? -1.394 12.554 -2.735 1.00 94.81 22 A 1 ATOM 152 C C . ALA A 1 22 ? -2.705 13.337 -2.789 1.00 95.27 22 A 1 ATOM 153 O O . ALA A 1 22 ? -2.873 14.220 -3.627 1.00 93.55 22 A 1 ATOM 154 C CB . ALA A 1 22 ? -1.493 11.290 -3.580 1.00 93.33 22 A 1 ATOM 155 N N . SER A 1 23 ? -3.622 13.035 -1.897 1.00 94.47 23 A 1 ATOM 156 C CA . SER A 1 23 ? -4.930 13.693 -1.850 1.00 93.89 23 A 1 ATOM 157 C C . SER A 1 23 ? -4.856 15.091 -1.237 1.00 94.37 23 A 1 ATOM 158 O O . SER A 1 23 ? -5.801 15.870 -1.342 1.00 92.65 23 A 1 ATOM 159 C CB . SER A 1 23 ? -5.915 12.839 -1.059 1.00 92.03 23 A 1 ATOM 160 O OG . SER A 1 23 ? -7.216 13.375 -1.128 1.00 82.25 23 A 1 ATOM 161 N N . TYR A 1 24 ? -3.733 15.413 -0.600 1.00 93.46 24 A 1 ATOM 162 C CA . TYR A 1 24 ? -3.551 16.717 0.035 1.00 92.51 24 A 1 ATOM 163 C C . TYR A 1 24 ? -3.527 17.847 -0.994 1.00 92.51 24 A 1 ATOM 164 O O . TYR A 1 24 ? -4.026 18.944 -0.739 1.00 90.31 24 A 1 ATOM 165 C CB . TYR A 1 24 ? -2.252 16.719 0.849 1.00 90.88 24 A 1 ATOM 166 C CG . TYR A 1 24 ? -2.087 17.947 1.713 1.00 89.18 24 A 1 ATOM 167 C CD1 . TYR A 1 24 ? -1.409 19.064 1.236 1.00 86.06 24 A 1 ATOM 168 C CD2 . TYR A 1 24 ? -2.618 17.986 2.998 1.00 85.71 24 A 1 ATOM 169 C CE1 . TYR A 1 24 ? -1.264 20.197 2.024 1.00 84.60 24 A 1 ATOM 170 C CE2 . TYR A 1 24 ? -2.477 19.117 3.794 1.00 84.20 24 A 1 ATOM 171 C CZ . TYR A 1 24 ? -1.798 20.219 3.301 1.00 83.47 24 A 1 ATOM 172 O OH . TYR A 1 24 ? -1.656 21.340 4.081 1.00 82.37 24 A 1 ATOM 173 N N . ALA A 1 25 ? -2.969 17.579 -2.155 1.00 90.32 25 A 1 ATOM 174 C CA . ALA A 1 25 ? -2.865 18.560 -3.231 1.00 88.51 25 A 1 ATOM 175 C C . ALA A 1 25 ? -3.962 18.326 -4.262 1.00 85.70 25 A 1 ATOM 176 O O . ALA A 1 25 ? -4.572 19.303 -4.727 1.00 81.11 25 A 1 ATOM 177 C CB . ALA A 1 25 ? -1.481 18.482 -3.871 1.00 84.62 25 A 1 ATOM 178 O OXT . ALA A 1 25 ? -4.193 17.156 -4.612 1.00 77.44 25 A 1 #