# 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_spkb08207 # _entry.id spkb08207 # 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" "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 LEU y LEUCINE CC(C)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" "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 PRO 3 1 n ALA 4 1 n CYS 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n PRO 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n GLY 16 1 n GLY 17 1 n PHE 18 1 n PRO 19 1 n LEU 20 1 n VAL 21 1 n PRO 22 1 n GLY 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 @ 2025-07-08 21:42:12)" _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 82.53 _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 72.04 1 1 A ALA 2 2 82.60 1 2 A PRO 3 2 84.60 1 3 A ALA 4 2 87.10 1 4 A CYS 5 2 85.16 1 5 A LEU 6 2 83.52 1 6 A LEU 7 2 84.34 1 7 A ALA 8 2 88.61 1 8 A PRO 9 2 86.79 1 9 A LEU 10 2 85.75 1 10 A LEU 11 2 84.99 1 11 A LEU 12 2 84.95 1 12 A LEU 13 2 86.05 1 13 A LEU 14 2 86.55 1 14 A LEU 15 2 85.42 1 15 A GLY 16 2 87.20 1 16 A GLY 17 2 83.06 1 17 A PHE 18 2 78.26 1 18 A PRO 19 2 82.53 1 19 A LEU 20 2 77.30 1 20 A VAL 21 2 77.23 1 21 A PRO 22 2 78.02 1 22 A GLY 23 2 69.91 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 PRO . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n GLY . 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 ? 2.004 -16.917 6.560 1.00 76.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.337 -15.647 6.902 1.00 78.46 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.366 -14.679 5.713 1.00 79.77 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.788 -13.534 5.844 1.00 76.22 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.996 -15.022 8.134 1.00 73.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.739 -15.833 9.397 1.00 68.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.270 -14.950 10.878 1.00 65.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.549 -16.002 12.144 1.00 58.57 1 A 1 ATOM 9 N N . ALA A 1 2 ? 0.928 -15.149 4.564 1.00 81.65 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.894 -14.336 3.345 1.00 83.89 2 A 1 ATOM 11 C C . ALA A 1 2 ? -0.054 -13.125 3.445 1.00 85.91 2 A 1 ATOM 12 O O . ALA A 1 2 ? 0.323 -12.042 2.997 1.00 82.51 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 0.542 -15.229 2.158 1.00 79.06 2 A 1 ATOM 14 N N . PRO A 1 3 ? -1.259 -13.263 4.051 1.00 85.90 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -2.185 -12.125 4.152 1.00 87.66 3 A 1 ATOM 16 C C . PRO A 1 3 ? -1.630 -10.970 4.983 1.00 88.61 3 A 1 ATOM 17 O O . PRO A 1 3 ? -1.889 -9.810 4.667 1.00 83.96 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -3.450 -12.720 4.791 1.00 83.47 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -2.990 -13.970 5.480 1.00 79.52 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -1.855 -14.473 4.613 1.00 83.06 3 A 1 ATOM 21 N N . ALA A 1 4 ? -0.859 -11.276 6.018 1.00 87.87 4 A 1 ATOM 22 C CA . ALA A 1 4 ? -0.228 -10.246 6.845 1.00 87.84 4 A 1 ATOM 23 C C . ALA A 1 4 ? 0.832 -9.472 6.061 1.00 88.81 4 A 1 ATOM 24 O O . ALA A 1 4 ? 0.948 -8.254 6.201 1.00 85.63 4 A 1 ATOM 25 C CB . ALA A 1 4 ? 0.374 -10.896 8.089 1.00 85.36 4 A 1 ATOM 26 N N . CYS A 1 5 ? 1.581 -10.172 5.211 1.00 89.46 5 A 1 ATOM 27 C CA . CYS A 1 5 ? 2.599 -9.556 4.357 1.00 88.69 5 A 1 ATOM 28 C C . CYS A 1 5 ? 1.974 -8.651 3.291 1.00 89.20 5 A 1 ATOM 29 O O . CYS A 1 5 ? 2.600 -7.691 2.856 1.00 85.25 5 A 1 ATOM 30 C CB . CYS A 1 5 ? 3.448 -10.645 3.696 1.00 84.15 5 A 1 ATOM 31 S SG . CYS A 1 5 ? 4.371 -11.620 4.919 1.00 74.18 5 A 1 ATOM 32 N N . LEU A 1 6 ? 0.752 -8.955 2.888 1.00 86.45 6 A 1 ATOM 33 C CA . LEU A 1 6 ? 0.015 -8.145 1.913 1.00 86.75 6 A 1 ATOM 34 C C . LEU A 1 6 ? -0.687 -6.956 2.575 1.00 88.51 6 A 1 ATOM 35 O O . LEU A 1 6 ? -0.977 -5.962 1.907 1.00 86.85 6 A 1 ATOM 36 C CB . LEU A 1 6 ? -0.999 -9.029 1.185 1.00 85.48 6 A 1 ATOM 37 C CG . LEU A 1 6 ? -0.372 -10.014 0.196 1.00 80.79 6 A 1 ATOM 38 C CD1 . LEU A 1 6 ? -1.370 -11.102 -0.162 1.00 77.24 6 A 1 ATOM 39 C CD2 . LEU A 1 6 ? 0.078 -9.303 -1.076 1.00 76.06 6 A 1 ATOM 40 N N . LEU A 1 7 ? -0.939 -7.048 3.879 1.00 87.79 7 A 1 ATOM 41 C CA . LEU A 1 7 ? -1.613 -5.990 4.632 1.00 87.71 7 A 1 ATOM 42 C C . LEU A 1 7 ? -0.764 -4.718 4.691 1.00 88.96 7 A 1 ATOM 43 O O . LEU A 1 7 ? -1.298 -3.614 4.549 1.00 87.91 7 A 1 ATOM 44 C CB . LEU A 1 7 ? -1.949 -6.515 6.035 1.00 86.38 7 A 1 ATOM 45 C CG . LEU A 1 7 ? -3.021 -5.715 6.764 1.00 81.27 7 A 1 ATOM 46 C CD1 . LEU A 1 7 ? -3.989 -6.642 7.483 1.00 77.63 7 A 1 ATOM 47 C CD2 . LEU A 1 7 ? -2.402 -4.758 7.767 1.00 77.04 7 A 1 ATOM 48 N N . ALA A 1 8 ? 0.548 -4.878 4.870 1.00 89.58 8 A 1 ATOM 49 C CA . ALA A 1 8 ? 1.471 -3.740 4.928 1.00 88.86 8 A 1 ATOM 50 C C . ALA A 1 8 ? 1.475 -2.909 3.627 1.00 89.66 8 A 1 ATOM 51 O O . ALA A 1 8 ? 1.247 -1.698 3.696 1.00 87.25 8 A 1 ATOM 52 C CB . ALA A 1 8 ? 2.870 -4.228 5.319 1.00 87.70 8 A 1 ATOM 53 N N . PRO A 1 9 ? 1.697 -3.514 2.457 1.00 88.03 9 A 1 ATOM 54 C CA . PRO A 1 9 ? 1.650 -2.753 1.201 1.00 87.38 9 A 1 ATOM 55 C C . PRO A 1 9 ? 0.258 -2.201 0.901 1.00 87.95 9 A 1 ATOM 56 O O . PRO A 1 9 ? 0.144 -1.123 0.320 1.00 85.84 9 A 1 ATOM 57 C CB . PRO A 1 9 ? 2.111 -3.751 0.131 1.00 86.04 9 A 1 ATOM 58 C CG . PRO A 1 9 ? 1.909 -5.104 0.740 1.00 84.58 9 A 1 ATOM 59 C CD . PRO A 1 9 ? 2.109 -4.888 2.222 1.00 87.69 9 A 1 ATOM 60 N N . LEU A 1 10 ? -0.784 -2.901 1.316 1.00 88.50 10 A 1 ATOM 61 C CA . LEU A 1 10 ? -2.154 -2.418 1.159 1.00 88.21 10 A 1 ATOM 62 C C . LEU A 1 10 ? -2.377 -1.136 1.968 1.00 89.07 10 A 1 ATOM 63 O O . LEU A 1 10 ? -2.982 -0.182 1.474 1.00 87.34 10 A 1 ATOM 64 C CB . LEU A 1 10 ? -3.135 -3.513 1.602 1.00 87.72 10 A 1 ATOM 65 C CG . LEU A 1 10 ? -4.587 -3.226 1.220 1.00 83.82 10 A 1 ATOM 66 C CD1 . LEU A 1 10 ? -4.831 -3.535 -0.260 1.00 80.89 10 A 1 ATOM 67 C CD2 . LEU A 1 10 ? -5.530 -4.063 2.068 1.00 80.42 10 A 1 ATOM 68 N N . LEU A 1 11 ? -1.873 -1.112 3.197 1.00 87.63 11 A 1 ATOM 69 C CA . LEU A 1 11 ? -1.935 0.075 4.050 1.00 87.21 11 A 1 ATOM 70 C C . LEU A 1 11 ? -1.149 1.233 3.444 1.00 88.67 11 A 1 ATOM 71 O O . LEU A 1 11 ? -1.607 2.376 3.491 1.00 87.66 11 A 1 ATOM 72 C CB . LEU A 1 11 ? -1.400 -0.259 5.447 1.00 86.74 11 A 1 ATOM 73 C CG . LEU A 1 11 ? -2.465 -0.820 6.393 1.00 82.44 11 A 1 ATOM 74 C CD1 . LEU A 1 11 ? -1.797 -1.507 7.578 1.00 79.79 11 A 1 ATOM 75 C CD2 . LEU A 1 11 ? -3.376 0.289 6.909 1.00 79.81 11 A 1 ATOM 76 N N . LEU A 1 12 ? -0.000 0.936 2.859 1.00 87.35 12 A 1 ATOM 77 C CA . LEU A 1 12 ? 0.814 1.950 2.189 1.00 87.26 12 A 1 ATOM 78 C C . LEU A 1 12 ? 0.070 2.560 1.002 1.00 88.72 12 A 1 ATOM 79 O O . LEU A 1 12 ? 0.153 3.771 0.782 1.00 87.07 12 A 1 ATOM 80 C CB . LEU A 1 12 ? 2.139 1.335 1.726 1.00 86.52 12 A 1 ATOM 81 C CG . LEU A 1 12 ? 3.148 1.103 2.855 1.00 82.06 12 A 1 ATOM 82 C CD1 . LEU A 1 12 ? 4.262 0.180 2.380 1.00 80.46 12 A 1 ATOM 83 C CD2 . LEU A 1 12 ? 3.753 2.425 3.326 1.00 80.16 12 A 1 ATOM 84 N N . LEU A 1 13 ? -0.676 1.744 0.268 1.00 88.04 13 A 1 ATOM 85 C CA . LEU A 1 13 ? -1.493 2.224 -0.844 1.00 88.02 13 A 1 ATOM 86 C C . LEU A 1 13 ? -2.650 3.090 -0.347 1.00 89.61 13 A 1 ATOM 87 O O . LEU A 1 13 ? -2.974 4.102 -0.976 1.00 88.22 13 A 1 ATOM 88 C CB . LEU A 1 13 ? -2.019 1.026 -1.638 1.00 87.52 13 A 1 ATOM 89 C CG . LEU A 1 13 ? -0.973 0.379 -2.548 1.00 83.62 13 A 1 ATOM 90 C CD1 . LEU A 1 13 ? -1.410 -1.027 -2.935 1.00 81.79 13 A 1 ATOM 91 C CD2 . LEU A 1 13 ? -0.761 1.213 -3.810 1.00 81.54 13 A 1 ATOM 92 N N . LEU A 1 14 ? -3.250 2.711 0.783 1.00 88.34 14 A 1 ATOM 93 C CA . LEU A 1 14 ? -4.344 3.476 1.381 1.00 88.70 14 A 1 ATOM 94 C C . LEU A 1 14 ? -3.848 4.803 1.959 1.00 90.26 14 A 1 ATOM 95 O O . LEU A 1 14 ? -4.491 5.842 1.768 1.00 89.02 14 A 1 ATOM 96 C CB . LEU A 1 14 ? -5.016 2.630 2.469 1.00 88.14 14 A 1 ATOM 97 C CG . LEU A 1 14 ? -5.899 1.503 1.920 1.00 84.83 14 A 1 ATOM 98 C CD1 . LEU A 1 14 ? -6.161 0.464 3.001 1.00 81.66 14 A 1 ATOM 99 C CD2 . LEU A 1 14 ? -7.231 2.054 1.415 1.00 81.41 14 A 1 ATOM 100 N N . LEU A 1 15 ? -2.710 4.768 2.640 1.00 88.89 15 A 1 ATOM 101 C CA . LEU A 1 15 ? -2.092 5.965 3.213 1.00 88.75 15 A 1 ATOM 102 C C . LEU A 1 15 ? -1.516 6.859 2.119 1.00 89.64 15 A 1 ATOM 103 O O . LEU A 1 15 ? -1.728 8.076 2.125 1.00 86.89 15 A 1 ATOM 104 C CB . LEU A 1 15 ? -0.996 5.548 4.204 1.00 87.34 15 A 1 ATOM 105 C CG . LEU A 1 15 ? -1.542 5.052 5.549 1.00 84.17 15 A 1 ATOM 106 C CD1 . LEU A 1 15 ? -0.539 4.131 6.228 1.00 79.40 15 A 1 ATOM 107 C CD2 . LEU A 1 15 ? -1.853 6.228 6.466 1.00 78.26 15 A 1 ATOM 108 N N . GLY A 1 16 ? -0.813 6.252 1.183 1.00 87.93 16 A 1 ATOM 109 C CA . GLY A 1 16 ? -0.261 6.950 0.031 1.00 87.29 16 A 1 ATOM 110 C C . GLY A 1 16 ? -1.305 7.088 -1.057 1.00 88.48 16 A 1 ATOM 111 O O . GLY A 1 16 ? -1.300 6.334 -2.022 1.00 85.08 16 A 1 ATOM 112 N N . GLY A 1 17 ? -2.176 8.049 -0.907 1.00 83.61 17 A 1 ATOM 113 C CA . GLY A 1 17 ? -3.260 8.288 -1.861 1.00 82.74 17 A 1 ATOM 114 C C . GLY A 1 17 ? -2.801 8.788 -3.220 1.00 84.35 17 A 1 ATOM 115 O O . GLY A 1 17 ? -3.641 9.119 -4.055 1.00 81.56 17 A 1 ATOM 116 N N . PHE A 1 18 ? -1.503 8.851 -3.471 1.00 83.50 18 A 1 ATOM 117 C CA . PHE A 1 18 ? -0.956 9.286 -4.756 1.00 83.51 18 A 1 ATOM 118 C C . PHE A 1 18 ? -1.393 8.378 -5.917 1.00 85.23 18 A 1 ATOM 119 O O . PHE A 1 18 ? -1.922 8.899 -6.905 1.00 83.13 18 A 1 ATOM 120 C CB . PHE A 1 18 ? 0.572 9.402 -4.663 1.00 80.78 18 A 1 ATOM 121 C CG . PHE A 1 18 ? 1.184 10.067 -5.870 1.00 76.97 18 A 1 ATOM 122 C CD1 . PHE A 1 18 ? 1.159 11.455 -5.995 1.00 75.02 18 A 1 ATOM 123 C CD2 . PHE A 1 18 ? 1.775 9.308 -6.870 1.00 74.52 18 A 1 ATOM 124 C CE1 . PHE A 1 18 ? 1.713 12.082 -7.105 1.00 72.46 18 A 1 ATOM 125 C CE2 . PHE A 1 18 ? 2.330 9.927 -7.993 1.00 72.27 18 A 1 ATOM 126 C CZ . PHE A 1 18 ? 2.300 11.315 -8.110 1.00 73.52 18 A 1 ATOM 127 N N . PRO A 1 19 ? -1.235 7.036 -5.811 1.00 84.66 19 A 1 ATOM 128 C CA . PRO A 1 19 ? -1.718 6.160 -6.884 1.00 84.10 19 A 1 ATOM 129 C C . PRO A 1 19 ? -3.239 5.992 -6.885 1.00 84.55 19 A 1 ATOM 130 O O . PRO A 1 19 ? -3.831 5.790 -7.944 1.00 80.84 19 A 1 ATOM 131 C CB . PRO A 1 19 ? -1.003 4.828 -6.623 1.00 81.21 19 A 1 ATOM 132 C CG . PRO A 1 19 ? -0.711 4.843 -5.152 1.00 79.38 19 A 1 ATOM 133 C CD . PRO A 1 19 ? -0.492 6.301 -4.807 1.00 83.00 19 A 1 ATOM 134 N N . LEU A 1 20 ? -3.870 6.083 -5.714 1.00 82.63 20 A 1 ATOM 135 C CA . LEU A 1 20 ? -5.324 5.942 -5.576 1.00 81.97 20 A 1 ATOM 136 C C . LEU A 1 20 ? -6.043 7.265 -5.838 1.00 83.32 20 A 1 ATOM 137 O O . LEU A 1 20 ? -7.031 7.306 -6.576 1.00 80.32 20 A 1 ATOM 138 C CB . LEU A 1 20 ? -5.643 5.408 -4.175 1.00 79.27 20 A 1 ATOM 139 C CG . LEU A 1 20 ? -5.583 3.889 -4.090 1.00 73.93 20 A 1 ATOM 140 C CD1 . LEU A 1 20 ? -4.892 3.445 -2.817 1.00 70.34 20 A 1 ATOM 141 C CD2 . LEU A 1 20 ? -6.987 3.306 -4.146 1.00 66.60 20 A 1 ATOM 142 N N . VAL A 1 21 ? -5.543 8.341 -5.234 1.00 80.29 21 A 1 ATOM 143 C CA . VAL A 1 21 ? -6.117 9.681 -5.359 1.00 80.21 21 A 1 ATOM 144 C C . VAL A 1 21 ? -5.011 10.654 -5.777 1.00 81.52 21 A 1 ATOM 145 O O . VAL A 1 21 ? -4.419 11.317 -4.925 1.00 79.37 21 A 1 ATOM 146 C CB . VAL A 1 21 ? -6.791 10.118 -4.044 1.00 77.08 21 A 1 ATOM 147 C CG1 . VAL A 1 21 ? -7.544 11.430 -4.243 1.00 69.81 21 A 1 ATOM 148 C CG2 . VAL A 1 21 ? -7.754 9.062 -3.524 1.00 72.31 21 A 1 ATOM 149 N N . PRO A 1 22 ? -4.707 10.743 -7.066 1.00 80.03 22 A 1 ATOM 150 C CA . PRO A 1 22 ? -3.661 11.651 -7.558 1.00 79.98 22 A 1 ATOM 151 C C . PRO A 1 22 ? -4.014 13.124 -7.365 1.00 81.07 22 A 1 ATOM 152 O O . PRO A 1 22 ? -3.122 13.961 -7.267 1.00 75.55 22 A 1 ATOM 153 C CB . PRO A 1 22 ? -3.530 11.290 -9.046 1.00 76.56 22 A 1 ATOM 154 C CG . PRO A 1 22 ? -4.846 10.677 -9.409 1.00 75.09 22 A 1 ATOM 155 C CD . PRO A 1 22 ? -5.327 9.985 -8.148 1.00 77.86 22 A 1 ATOM 156 N N . GLY A 1 23 ? -5.303 13.430 -7.281 1.00 76.66 23 A 1 ATOM 157 C CA . GLY A 1 23 ? -5.773 14.805 -7.087 1.00 73.10 23 A 1 ATOM 158 C C . GLY A 1 23 ? -6.008 15.527 -8.404 1.00 69.58 23 A 1 ATOM 159 O O . GLY A 1 23 ? -6.476 16.675 -8.378 1.00 64.18 23 A 1 ATOM 160 O OXT . GLY A 1 23 ? -5.750 14.935 -9.484 1.00 66.01 23 A 1 #