# 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_spkb23752 # _entry.id spkb23752 # 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" "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" "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 THR 2 1 n ARG 3 1 n ILE 4 1 n LYS 5 1 n LEU 6 1 n SER 7 1 n TYR 8 1 n PHE 9 1 n THR 10 1 n ILE 11 1 n GLY 12 1 n LEU 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ALA 19 1 n LEU 20 1 n ALA 21 # _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 21:35:59)" _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 93.14 _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 78.74 1 1 A THR 2 2 89.39 1 2 A ARG 3 2 83.80 1 3 A ILE 4 2 91.06 1 4 A LYS 5 2 88.16 1 5 A LEU 6 2 91.82 1 6 A SER 7 2 95.06 1 7 A TYR 8 2 94.89 1 8 A PHE 9 2 95.12 1 9 A THR 10 2 96.39 1 10 A ILE 11 2 96.21 1 11 A GLY 12 2 98.28 1 12 A LEU 13 2 96.25 1 13 A VAL 14 2 97.51 1 14 A ALA 15 2 98.31 1 15 A LEU 16 2 96.61 1 16 A LEU 17 2 97.01 1 17 A LEU 18 2 96.61 1 18 A ALA 19 2 98.42 1 19 A LEU 20 2 95.35 1 20 A ALA 21 2 90.13 1 21 # _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 THR . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 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 LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? 1.515 -5.679 16.605 1.00 85.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.602 -4.781 15.869 1.00 87.37 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.242 -4.341 14.556 1.00 87.39 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.758 -3.235 14.453 1.00 79.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.283 -3.550 16.713 1.00 79.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.430 -3.904 17.999 1.00 75.82 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.735 -2.457 19.013 1.00 70.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.546 -3.214 20.411 1.00 62.85 1 A 1 ATOM 9 N N . THR A 1 2 ? 1.216 -5.202 13.581 1.00 92.78 2 A 1 ATOM 10 C CA . THR A 1 2 ? 1.835 -4.893 12.298 1.00 93.13 2 A 1 ATOM 11 C C . THR A 1 2 ? 0.809 -4.462 11.255 1.00 93.24 2 A 1 ATOM 12 O O . THR A 1 2 ? 1.139 -3.736 10.317 1.00 90.20 2 A 1 ATOM 13 C CB . THR A 1 2 ? 2.606 -6.105 11.763 1.00 90.64 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 2.514 -7.202 12.666 1.00 84.04 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 4.064 -5.762 11.553 1.00 81.71 2 A 1 ATOM 16 N N . ARG A 1 3 ? -0.433 -4.901 11.433 1.00 94.45 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -1.512 -4.552 10.501 1.00 95.07 3 A 1 ATOM 18 C C . ARG A 1 3 ? -1.106 -4.853 9.060 1.00 96.17 3 A 1 ATOM 19 O O . ARG A 1 3 ? -1.127 -3.978 8.194 1.00 93.88 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -1.875 -3.076 10.647 1.00 92.30 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -2.495 -2.748 11.992 1.00 84.90 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -2.738 -1.262 12.105 1.00 83.11 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -3.396 -0.924 13.368 1.00 76.42 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -3.443 0.301 13.873 1.00 72.63 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -2.872 1.310 13.248 1.00 66.96 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -4.068 0.519 15.013 1.00 65.87 3 A 1 ATOM 27 N N . ILE A 1 4 ? -0.737 -6.086 8.827 1.00 93.61 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -0.283 -6.513 7.508 1.00 94.61 4 A 1 ATOM 29 C C . ILE A 1 4 ? -1.352 -6.263 6.451 1.00 95.76 4 A 1 ATOM 30 O O . ILE A 1 4 ? -1.071 -5.749 5.368 1.00 94.93 4 A 1 ATOM 31 C CB . ILE A 1 4 ? 0.104 -7.996 7.529 1.00 93.82 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? 1.223 -8.237 8.548 1.00 88.68 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? 0.551 -8.445 6.146 1.00 86.83 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? 1.488 -9.709 8.807 1.00 80.28 4 A 1 ATOM 35 N N . LYS A 1 5 ? -2.583 -6.619 6.781 1.00 94.84 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -3.696 -6.445 5.846 1.00 95.20 5 A 1 ATOM 37 C C . LYS A 1 5 ? -3.885 -4.977 5.483 1.00 95.70 5 A 1 ATOM 38 O O . LYS A 1 5 ? -4.056 -4.638 4.310 1.00 95.50 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -4.973 -7.013 6.463 1.00 94.67 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -6.139 -7.012 5.491 1.00 89.04 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -7.370 -7.628 6.125 1.00 83.72 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -8.546 -7.605 5.166 1.00 76.32 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -9.759 -8.221 5.777 1.00 68.43 5 A 1 ATOM 44 N N . LEU A 1 6 ? -3.849 -4.115 6.474 1.00 95.64 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -4.019 -2.681 6.261 1.00 95.78 6 A 1 ATOM 46 C C . LEU A 1 6 ? -2.841 -2.108 5.486 1.00 96.54 6 A 1 ATOM 47 O O . LEU A 1 6 ? -3.014 -1.266 4.604 1.00 96.12 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -4.179 -1.980 7.614 1.00 95.22 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -4.857 -0.618 7.523 1.00 87.82 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -5.532 -0.285 8.846 1.00 83.79 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -3.866 0.471 7.176 1.00 83.64 6 A 1 ATOM 52 N N . SER A 1 7 ? -1.636 -2.568 5.805 1.00 96.62 7 A 1 ATOM 53 C CA . SER A 1 7 ? -0.429 -2.102 5.130 1.00 96.85 7 A 1 ATOM 54 C C . SER A 1 7 ? -0.479 -2.419 3.642 1.00 97.51 7 A 1 ATOM 55 O O . SER A 1 7 ? -0.213 -1.558 2.807 1.00 97.12 7 A 1 ATOM 56 C CB . SER A 1 7 ? 0.806 -2.741 5.752 1.00 96.04 7 A 1 ATOM 57 O OG . SER A 1 7 ? 0.929 -2.350 7.106 1.00 86.19 7 A 1 ATOM 58 N N . TYR A 1 8 ? -0.841 -3.654 3.316 1.00 97.12 8 A 1 ATOM 59 C CA . TYR A 1 8 ? -0.926 -4.062 1.918 1.00 97.46 8 A 1 ATOM 60 C C . TYR A 1 8 ? -2.023 -3.297 1.183 1.00 97.57 8 A 1 ATOM 61 O O . TYR A 1 8 ? -1.877 -2.959 0.008 1.00 97.29 8 A 1 ATOM 62 C CB . TYR A 1 8 ? -1.179 -5.562 1.828 1.00 97.30 8 A 1 ATOM 63 C CG . TYR A 1 8 ? 0.088 -6.373 1.971 1.00 95.97 8 A 1 ATOM 64 C CD1 . TYR A 1 8 ? 1.100 -6.275 1.025 1.00 92.79 8 A 1 ATOM 65 C CD2 . TYR A 1 8 ? 0.266 -7.229 3.051 1.00 93.37 8 A 1 ATOM 66 C CE1 . TYR A 1 8 ? 2.268 -7.014 1.149 1.00 92.32 8 A 1 ATOM 67 C CE2 . TYR A 1 8 ? 1.430 -7.972 3.185 1.00 92.34 8 A 1 ATOM 68 C CZ . TYR A 1 8 ? 2.426 -7.859 2.229 1.00 93.57 8 A 1 ATOM 69 O OH . TYR A 1 8 ? 3.580 -8.594 2.359 1.00 91.62 8 A 1 ATOM 70 N N . PHE A 1 9 ? -3.104 -3.005 1.885 1.00 97.49 9 A 1 ATOM 71 C CA . PHE A 1 9 ? -4.194 -2.229 1.300 1.00 97.49 9 A 1 ATOM 72 C C . PHE A 1 9 ? -3.716 -0.828 0.934 1.00 97.92 9 A 1 ATOM 73 O O . PHE A 1 9 ? -3.983 -0.338 -0.163 1.00 97.69 9 A 1 ATOM 74 C CB . PHE A 1 9 ? -5.357 -2.141 2.283 1.00 97.24 9 A 1 ATOM 75 C CG . PHE A 1 9 ? -6.465 -1.245 1.794 1.00 95.87 9 A 1 ATOM 76 C CD1 . PHE A 1 9 ? -7.335 -1.678 0.804 1.00 92.90 9 A 1 ATOM 77 C CD2 . PHE A 1 9 ? -6.619 0.027 2.317 1.00 93.39 9 A 1 ATOM 78 C CE1 . PHE A 1 9 ? -8.352 -0.860 0.343 1.00 91.95 9 A 1 ATOM 79 C CE2 . PHE A 1 9 ? -7.633 0.861 1.857 1.00 92.16 9 A 1 ATOM 80 C CZ . PHE A 1 9 ? -8.499 0.416 0.871 1.00 92.19 9 A 1 ATOM 81 N N . THR A 1 10 ? -3.003 -0.202 1.845 1.00 97.67 10 A 1 ATOM 82 C CA . THR A 1 10 ? -2.480 1.143 1.619 1.00 97.84 10 A 1 ATOM 83 C C . THR A 1 10 ? -1.465 1.145 0.482 1.00 98.14 10 A 1 ATOM 84 O O . THR A 1 10 ? -1.499 2.012 -0.388 1.00 97.85 10 A 1 ATOM 85 C CB . THR A 1 10 ? -1.819 1.691 2.889 1.00 97.42 10 A 1 ATOM 86 O OG1 . THR A 1 10 ? -2.703 1.547 3.991 1.00 93.74 10 A 1 ATOM 87 C CG2 . THR A 1 10 ? -1.477 3.162 2.728 1.00 92.08 10 A 1 ATOM 88 N N . ILE A 1 11 ? -0.582 0.164 0.487 1.00 97.84 11 A 1 ATOM 89 C CA . ILE A 1 11 ? 0.436 0.051 -0.557 1.00 97.79 11 A 1 ATOM 90 C C . ILE A 1 11 ? -0.220 -0.123 -1.922 1.00 98.04 11 A 1 ATOM 91 O O . ILE A 1 11 ? 0.196 0.491 -2.905 1.00 97.75 11 A 1 ATOM 92 C CB . ILE A 1 11 ? 1.379 -1.123 -0.265 1.00 97.41 11 A 1 ATOM 93 C CG1 . ILE A 1 11 ? 2.195 -0.841 0.999 1.00 95.36 11 A 1 ATOM 94 C CG2 . ILE A 1 11 ? 2.317 -1.363 -1.446 1.00 94.98 11 A 1 ATOM 95 C CD1 . ILE A 1 11 ? 2.904 -2.064 1.542 1.00 90.50 11 A 1 ATOM 96 N N . GLY A 1 12 ? -1.234 -0.961 -1.971 1.00 98.22 12 A 1 ATOM 97 C CA . GLY A 1 12 ? -1.939 -1.194 -3.225 1.00 98.22 12 A 1 ATOM 98 C C . GLY A 1 12 ? -2.616 0.063 -3.744 1.00 98.44 12 A 1 ATOM 99 O O . GLY A 1 12 ? -2.551 0.368 -4.934 1.00 98.23 12 A 1 ATOM 100 N N . LEU A 1 13 ? -3.251 0.791 -2.846 1.00 98.12 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -3.938 2.026 -3.212 1.00 98.17 13 A 1 ATOM 102 C C . LEU A 1 13 ? -2.942 3.068 -3.710 1.00 98.42 13 A 1 ATOM 103 O O . LEU A 1 13 ? -3.167 3.723 -4.731 1.00 98.28 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -4.721 2.547 -2.004 1.00 97.86 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -5.860 3.496 -2.371 1.00 94.69 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -6.919 3.482 -1.277 1.00 91.97 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? -5.353 4.911 -2.570 1.00 92.47 13 A 1 ATOM 108 N N . VAL A 1 14 ? -1.845 3.215 -2.989 1.00 98.18 14 A 1 ATOM 109 C CA . VAL A 1 14 ? -0.801 4.169 -3.374 1.00 98.20 14 A 1 ATOM 110 C C . VAL A 1 14 ? -0.176 3.773 -4.704 1.00 98.44 14 A 1 ATOM 111 O O . VAL A 1 14 ? 0.108 4.628 -5.547 1.00 98.15 14 A 1 ATOM 112 C CB . VAL A 1 14 ? 0.280 4.259 -2.287 1.00 97.67 14 A 1 ATOM 113 C CG1 . VAL A 1 14 ? 1.447 5.121 -2.746 1.00 95.93 14 A 1 ATOM 114 C CG2 . VAL A 1 14 ? -0.304 4.831 -1.009 1.00 96.01 14 A 1 ATOM 115 N N . ALA A 1 15 ? 0.035 2.486 -4.890 1.00 98.37 15 A 1 ATOM 116 C CA . ALA A 1 15 ? 0.624 1.989 -6.131 1.00 98.38 15 A 1 ATOM 117 C C . ALA A 1 15 ? -0.269 2.313 -7.324 1.00 98.57 15 A 1 ATOM 118 O O . ALA A 1 15 ? 0.215 2.715 -8.382 1.00 98.22 15 A 1 ATOM 119 C CB . ALA A 1 15 ? 0.849 0.485 -6.033 1.00 97.99 15 A 1 ATOM 120 N N . LEU A 1 16 ? -1.563 2.141 -7.143 1.00 98.37 16 A 1 ATOM 121 C CA . LEU A 1 16 ? -2.522 2.451 -8.201 1.00 98.33 16 A 1 ATOM 122 C C . LEU A 1 16 ? -2.500 3.937 -8.533 1.00 98.53 16 A 1 ATOM 123 O O . LEU A 1 16 ? -2.504 4.325 -9.703 1.00 98.31 16 A 1 ATOM 124 C CB . LEU A 1 16 ? -3.923 2.037 -7.763 1.00 98.08 16 A 1 ATOM 125 C CG . LEU A 1 16 ? -4.983 2.193 -8.850 1.00 95.21 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? -4.732 1.204 -9.983 1.00 92.63 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? -6.371 1.982 -8.273 1.00 93.46 16 A 1 ATOM 128 N N . LEU A 1 17 ? -2.477 4.753 -7.501 1.00 98.51 17 A 1 ATOM 129 C CA . LEU A 1 17 ? -2.431 6.203 -7.679 1.00 98.47 17 A 1 ATOM 130 C C . LEU A 1 17 ? -1.135 6.623 -8.358 1.00 98.61 17 A 1 ATOM 131 O O . LEU A 1 17 ? -1.129 7.500 -9.221 1.00 98.45 17 A 1 ATOM 132 C CB . LEU A 1 17 ? -2.559 6.894 -6.321 1.00 98.23 17 A 1 ATOM 133 C CG . LEU A 1 17 ? -2.764 8.405 -6.417 1.00 95.93 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? -4.143 8.722 -6.978 1.00 93.84 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? -2.598 9.057 -5.053 1.00 94.06 17 A 1 ATOM 136 N N . LEU A 1 18 ? -0.042 5.986 -7.971 1.00 98.50 18 A 1 ATOM 137 C CA . LEU A 1 18 ? 1.270 6.280 -8.544 1.00 98.39 18 A 1 ATOM 138 C C . LEU A 1 18 ? 1.293 5.951 -10.031 1.00 98.49 18 A 1 ATOM 139 O O . LEU A 1 18 ? 1.900 6.668 -10.827 1.00 98.12 18 A 1 ATOM 140 C CB . LEU A 1 18 ? 2.345 5.473 -7.813 1.00 98.02 18 A 1 ATOM 141 C CG . LEU A 1 18 ? 3.774 5.817 -8.225 1.00 95.45 18 A 1 ATOM 142 C CD1 . LEU A 1 18 ? 4.138 7.221 -7.763 1.00 92.94 18 A 1 ATOM 143 C CD2 . LEU A 1 18 ? 4.752 4.808 -7.646 1.00 93.00 18 A 1 ATOM 144 N N . ALA A 1 19 ? 0.635 4.875 -10.400 1.00 98.57 19 A 1 ATOM 145 C CA . ALA A 1 19 ? 0.567 4.471 -11.801 1.00 98.51 19 A 1 ATOM 146 C C . ALA A 1 19 ? -0.209 5.493 -12.630 1.00 98.59 19 A 1 ATOM 147 O O . ALA A 1 19 ? 0.106 5.722 -13.798 1.00 98.20 19 A 1 ATOM 148 C CB . ALA A 1 19 ? -0.082 3.095 -11.912 1.00 98.22 19 A 1 ATOM 149 N N . LEU A 1 20 ? -1.226 6.093 -12.017 1.00 97.77 20 A 1 ATOM 150 C CA . LEU A 1 20 ? -2.035 7.109 -12.687 1.00 97.57 20 A 1 ATOM 151 C C . LEU A 1 20 ? -1.367 8.476 -12.653 1.00 97.78 20 A 1 ATOM 152 O O . LEU A 1 20 ? -1.589 9.309 -13.534 1.00 96.92 20 A 1 ATOM 153 C CB . LEU A 1 20 ? -3.418 7.191 -12.026 1.00 96.99 20 A 1 ATOM 154 C CG . LEU A 1 20 ? -4.510 6.368 -12.712 1.00 94.61 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? -4.744 6.895 -14.117 1.00 91.02 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? -4.130 4.902 -12.760 1.00 90.15 20 A 1 ATOM 157 N N . ALA A 1 21 ? -0.565 8.704 -11.618 1.00 95.54 21 A 1 ATOM 158 C CA . ALA A 1 21 ? 0.108 9.982 -11.426 1.00 93.70 21 A 1 ATOM 159 C C . ALA A 1 21 ? 1.312 10.127 -12.350 1.00 91.84 21 A 1 ATOM 160 O O . ALA A 1 21 ? 2.067 9.153 -12.510 1.00 88.79 21 A 1 ATOM 161 C CB . ALA A 1 21 ? 0.526 10.149 -9.972 1.00 89.84 21 A 1 ATOM 162 O OXT . ALA A 1 21 ? 1.524 11.210 -12.904 1.00 81.05 21 A 1 #