# 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_spkb15598 # _entry.id spkb15598 # 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" "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 PRO 2 1 n LEU 3 1 n PRO 4 1 n PRO 5 1 n ARG 6 1 n SER 7 1 n LEU 8 1 n GLN 9 1 n VAL 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n PRO 22 1 n GLY 23 1 n MET 24 1 n TRP 25 1 n ALA 26 # _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 @ 2025-07-10 14:22:38)" _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 89.46 _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 77.53 1 1 A PRO 2 2 83.92 1 2 A LEU 3 2 80.89 1 3 A PRO 4 2 88.34 1 4 A PRO 5 2 90.06 1 5 A ARG 6 2 83.73 1 6 A SER 7 2 92.08 1 7 A LEU 8 2 91.24 1 8 A GLN 9 2 90.23 1 9 A VAL 10 2 95.64 1 10 A LEU 11 2 92.69 1 11 A LEU 12 2 91.89 1 12 A LEU 13 2 92.93 1 13 A LEU 14 2 93.36 1 14 A LEU 15 2 92.89 1 15 A LEU 16 2 92.17 1 16 A LEU 17 2 92.95 1 17 A LEU 18 2 93.15 1 18 A LEU 19 2 93.76 1 19 A LEU 20 2 94.05 1 20 A LEU 21 2 92.96 1 21 A PRO 22 2 94.06 1 22 A GLY 23 2 92.91 1 23 A MET 24 2 85.29 1 24 A TRP 25 2 82.37 1 25 A ALA 26 2 83.88 1 26 # _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 PRO . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n VAL . 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 LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n TRP . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -3.559 -17.275 2.564 1.00 83.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.747 -16.569 3.844 1.00 84.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.968 -15.664 3.770 1.00 86.01 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.215 -15.097 2.706 1.00 81.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.513 -15.724 4.190 1.00 79.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.379 -16.557 4.752 1.00 74.41 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.017 -15.530 5.356 1.00 68.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.489 -15.343 7.077 1.00 61.53 1 A 1 ATOM 9 N N . PRO A 1 2 ? -5.711 -15.517 4.869 1.00 85.59 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -6.859 -14.608 4.888 1.00 86.77 2 A 1 ATOM 11 C C . PRO A 1 2 ? -6.407 -13.150 4.791 1.00 88.76 2 A 1 ATOM 12 O O . PRO A 1 2 ? -5.300 -12.800 5.204 1.00 83.65 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -7.539 -14.903 6.228 1.00 81.75 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -6.443 -15.437 7.098 1.00 78.62 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -5.501 -16.157 6.158 1.00 82.33 2 A 1 ATOM 16 N N . LEU A 1 3 ? -7.266 -12.294 4.233 1.00 86.31 3 A 1 ATOM 17 C CA . LEU A 1 3 ? -6.956 -10.872 4.080 1.00 86.48 3 A 1 ATOM 18 C C . LEU A 1 3 ? -7.065 -10.148 5.424 1.00 88.83 3 A 1 ATOM 19 O O . LEU A 1 3 ? -7.905 -10.509 6.247 1.00 86.04 3 A 1 ATOM 20 C CB . LEU A 1 3 ? -7.896 -10.253 3.042 1.00 82.63 3 A 1 ATOM 21 C CG . LEU A 1 3 ? -7.548 -10.656 1.609 1.00 76.46 3 A 1 ATOM 22 C CD1 . LEU A 1 3 ? -8.739 -10.421 0.695 1.00 71.85 3 A 1 ATOM 23 C CD2 . LEU A 1 3 ? -6.353 -9.855 1.098 1.00 68.55 3 A 1 ATOM 24 N N . PRO A 1 4 ? -6.226 -9.135 5.645 1.00 90.18 4 A 1 ATOM 25 C CA . PRO A 1 4 ? -6.293 -8.342 6.874 1.00 90.95 4 A 1 ATOM 26 C C . PRO A 1 4 ? -7.556 -7.476 6.911 1.00 92.61 4 A 1 ATOM 27 O O . PRO A 1 4 ? -8.255 -7.355 5.903 1.00 89.89 4 A 1 ATOM 28 C CB . PRO A 1 4 ? -5.018 -7.491 6.826 1.00 86.58 4 A 1 ATOM 29 C CG . PRO A 1 4 ? -4.700 -7.363 5.369 1.00 82.21 4 A 1 ATOM 30 C CD . PRO A 1 4 ? -5.174 -8.666 4.758 1.00 85.93 4 A 1 ATOM 31 N N . PRO A 1 5 ? -7.864 -6.859 8.053 1.00 91.81 5 A 1 ATOM 32 C CA . PRO A 1 5 ? -9.037 -5.987 8.150 1.00 92.86 5 A 1 ATOM 33 C C . PRO A 1 5 ? -8.962 -4.822 7.161 1.00 93.78 5 A 1 ATOM 34 O O . PRO A 1 5 ? -7.889 -4.458 6.678 1.00 90.07 5 A 1 ATOM 35 C CB . PRO A 1 5 ? -9.030 -5.509 9.609 1.00 89.14 5 A 1 ATOM 36 C CG . PRO A 1 5 ? -7.631 -5.741 10.090 1.00 84.90 5 A 1 ATOM 37 C CD . PRO A 1 5 ? -7.147 -6.939 9.310 1.00 87.83 5 A 1 ATOM 38 N N . ARG A 1 6 ? -10.127 -4.244 6.876 1.00 94.35 6 A 1 ATOM 39 C CA . ARG A 1 6 ? -10.242 -3.169 5.878 1.00 94.65 6 A 1 ATOM 40 C C . ARG A 1 6 ? -9.337 -1.983 6.201 1.00 95.51 6 A 1 ATOM 41 O O . ARG A 1 6 ? -8.742 -1.401 5.295 1.00 93.68 6 A 1 ATOM 42 C CB . ARG A 1 6 ? -11.707 -2.734 5.804 1.00 92.84 6 A 1 ATOM 43 C CG . ARG A 1 6 ? -12.017 -1.847 4.601 1.00 84.59 6 A 1 ATOM 44 C CD . ARG A 1 6 ? -12.003 -2.666 3.308 1.00 81.59 6 A 1 ATOM 45 N NE . ARG A 1 6 ? -12.505 -1.866 2.186 1.00 76.52 6 A 1 ATOM 46 C CZ . ARG A 1 6 ? -12.020 -1.887 0.956 1.00 73.39 6 A 1 ATOM 47 N NH1 . ARG A 1 6 ? -11.003 -2.648 0.627 1.00 67.28 6 A 1 ATOM 48 N NH2 . ARG A 1 6 ? -12.555 -1.124 0.031 1.00 66.67 6 A 1 ATOM 49 N N . SER A 1 7 ? -9.230 -1.636 7.466 1.00 94.72 7 A 1 ATOM 50 C CA . SER A 1 7 ? -8.383 -0.518 7.901 1.00 95.11 7 A 1 ATOM 51 C C . SER A 1 7 ? -6.912 -0.747 7.538 1.00 95.56 7 A 1 ATOM 52 O O . SER A 1 7 ? -6.235 0.168 7.065 1.00 93.95 7 A 1 ATOM 53 C CB . SER A 1 7 ? -8.527 -0.321 9.406 1.00 93.13 7 A 1 ATOM 54 O OG . SER A 1 7 ? -8.330 -1.538 10.089 1.00 80.02 7 A 1 ATOM 55 N N . LEU A 1 8 ? -6.441 -1.968 7.719 1.00 95.08 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -5.062 -2.326 7.383 1.00 95.18 8 A 1 ATOM 57 C C . LEU A 1 8 ? -4.838 -2.314 5.873 1.00 95.61 8 A 1 ATOM 58 O O . LEU A 1 8 ? -3.781 -1.887 5.407 1.00 94.71 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -4.744 -3.703 7.974 1.00 94.85 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -3.591 -3.664 8.973 1.00 88.92 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -3.676 -4.842 9.926 1.00 82.87 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -2.250 -3.689 8.252 1.00 82.70 8 A 1 ATOM 63 N N . GLN A 1 9 ? -5.837 -2.752 5.110 1.00 95.77 9 A 1 ATOM 64 C CA . GLN A 1 9 ? -5.758 -2.723 3.647 1.00 95.81 9 A 1 ATOM 65 C C . GLN A 1 9 ? -5.613 -1.297 3.125 1.00 96.50 9 A 1 ATOM 66 O O . GLN A 1 9 ? -4.799 -1.051 2.236 1.00 96.03 9 A 1 ATOM 67 C CB . GLN A 1 9 ? -7.004 -3.361 3.037 1.00 95.12 9 A 1 ATOM 68 C CG . GLN A 1 9 ? -6.809 -4.843 2.771 1.00 88.29 9 A 1 ATOM 69 C CD . GLN A 1 9 ? -7.859 -5.349 1.800 1.00 85.01 9 A 1 ATOM 70 O OE1 . GLN A 1 9 ? -8.961 -5.679 2.181 1.00 80.94 9 A 1 ATOM 71 N NE2 . GLN A 1 9 ? -7.543 -5.388 0.526 1.00 78.58 9 A 1 ATOM 72 N N . VAL A 1 10 ? -6.373 -0.374 3.672 1.00 96.20 10 A 1 ATOM 73 C CA . VAL A 1 10 ? -6.302 1.039 3.269 1.00 96.64 10 A 1 ATOM 74 C C . VAL A 1 10 ? -4.915 1.605 3.575 1.00 96.84 10 A 1 ATOM 75 O O . VAL A 1 10 ? -4.324 2.285 2.736 1.00 96.26 10 A 1 ATOM 76 C CB . VAL A 1 10 ? -7.401 1.862 3.960 1.00 96.43 10 A 1 ATOM 77 C CG1 . VAL A 1 10 ? -7.239 3.356 3.683 1.00 93.92 10 A 1 ATOM 78 C CG2 . VAL A 1 10 ? -8.776 1.425 3.479 1.00 93.22 10 A 1 ATOM 79 N N . LEU A 1 11 ? -4.395 1.300 4.744 1.00 95.95 11 A 1 ATOM 80 C CA . LEU A 1 11 ? -3.062 1.755 5.140 1.00 95.72 11 A 1 ATOM 81 C C . LEU A 1 11 ? -1.990 1.194 4.210 1.00 96.22 11 A 1 ATOM 82 O O . LEU A 1 11 ? -1.107 1.930 3.765 1.00 95.90 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -2.796 1.332 6.589 1.00 95.55 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -1.519 1.936 7.180 1.00 89.64 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -1.732 3.406 7.543 1.00 86.40 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -1.098 1.164 8.416 1.00 86.15 11 A 1 ATOM 87 N N . LEU A 1 12 ? -2.079 -0.092 3.908 1.00 95.48 12 A 1 ATOM 88 C CA . LEU A 1 12 ? -1.131 -0.753 3.010 1.00 95.39 12 A 1 ATOM 89 C C . LEU A 1 12 ? -1.189 -0.152 1.608 1.00 96.08 12 A 1 ATOM 90 O O . LEU A 1 12 ? -0.148 0.086 0.993 1.00 96.14 12 A 1 ATOM 91 C CB . LEU A 1 12 ? -1.445 -2.250 2.963 1.00 95.13 12 A 1 ATOM 92 C CG . LEU A 1 12 ? -0.269 -3.088 2.462 1.00 87.44 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 0.709 -3.375 3.598 1.00 84.14 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? -0.768 -4.395 1.875 1.00 85.30 12 A 1 ATOM 95 N N . LEU A 1 13 ? -2.397 0.095 1.120 1.00 95.69 13 A 1 ATOM 96 C CA . LEU A 1 13 ? -2.601 0.697 -0.199 1.00 95.91 13 A 1 ATOM 97 C C . LEU A 1 13 ? -1.996 2.097 -0.258 1.00 96.60 13 A 1 ATOM 98 O O . LEU A 1 13 ? -1.326 2.439 -1.234 1.00 96.56 13 A 1 ATOM 99 C CB . LEU A 1 13 ? -4.099 0.743 -0.501 1.00 95.83 13 A 1 ATOM 100 C CG . LEU A 1 13 ? -4.422 1.176 -1.935 1.00 89.49 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? -4.116 0.056 -2.928 1.00 86.32 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? -5.884 1.564 -2.043 1.00 87.05 13 A 1 ATOM 103 N N . LEU A 1 14 ? -2.217 2.887 0.770 1.00 96.12 14 A 1 ATOM 104 C CA . LEU A 1 14 ? -1.676 4.245 0.848 1.00 96.25 14 A 1 ATOM 105 C C . LEU A 1 14 ? -0.150 4.226 0.856 1.00 96.71 14 A 1 ATOM 106 O O . LEU A 1 14 ? 0.486 5.016 0.160 1.00 96.54 14 A 1 ATOM 107 C CB . LEU A 1 14 ? -2.199 4.937 2.108 1.00 96.12 14 A 1 ATOM 108 C CG . LEU A 1 14 ? -2.425 6.434 1.900 1.00 89.41 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? -3.837 6.688 1.382 1.00 87.22 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? -2.214 7.186 3.199 1.00 88.55 14 A 1 ATOM 111 N N . LEU A 1 15 ? 0.420 3.319 1.628 1.00 95.96 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 1.873 3.165 1.712 1.00 95.86 15 A 1 ATOM 113 C C . LEU A 1 15 ? 2.456 2.766 0.358 1.00 96.38 15 A 1 ATOM 114 O O . LEU A 1 15 ? 3.466 3.321 -0.079 1.00 96.15 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 2.210 2.107 2.767 1.00 95.63 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 3.571 2.342 3.422 1.00 90.13 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? 3.405 3.083 4.742 1.00 86.02 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 4.277 1.020 3.665 1.00 86.96 15 A 1 ATOM 119 N N . LEU A 1 16 ? 1.805 1.821 -0.305 1.00 95.56 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 2.227 1.359 -1.627 1.00 95.24 16 A 1 ATOM 121 C C . LEU A 1 16 ? 2.135 2.486 -2.653 1.00 95.98 16 A 1 ATOM 122 O O . LEU A 1 16 ? 3.036 2.650 -3.475 1.00 95.57 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 1.349 0.181 -2.051 1.00 94.85 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 2.029 -0.722 -3.085 1.00 88.63 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 2.901 -1.768 -2.395 1.00 85.31 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 0.988 -1.413 -3.943 1.00 86.23 16 A 1 ATOM 127 N N . LEU A 1 17 ? 1.059 3.257 -2.597 1.00 95.51 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 0.853 4.388 -3.503 1.00 95.42 17 A 1 ATOM 129 C C . LEU A 1 17 ? 1.944 5.439 -3.318 1.00 95.92 17 A 1 ATOM 130 O O . LEU A 1 17 ? 2.469 5.970 -4.297 1.00 95.23 17 A 1 ATOM 131 C CB . LEU A 1 17 ? -0.525 5.001 -3.247 1.00 95.08 17 A 1 ATOM 132 C CG . LEU A 1 17 ? -1.082 5.731 -4.473 1.00 91.05 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? -2.102 4.860 -5.198 1.00 87.41 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? -1.735 7.037 -4.058 1.00 87.98 17 A 1 ATOM 135 N N . LEU A 1 18 ? 2.298 5.725 -2.079 1.00 95.42 18 A 1 ATOM 136 C CA . LEU A 1 18 ? 3.364 6.678 -1.763 1.00 95.22 18 A 1 ATOM 137 C C . LEU A 1 18 ? 4.710 6.212 -2.313 1.00 95.54 18 A 1 ATOM 138 O O . LEU A 1 18 ? 5.493 7.027 -2.801 1.00 94.61 18 A 1 ATOM 139 C CB . LEU A 1 18 ? 3.441 6.862 -0.243 1.00 94.94 18 A 1 ATOM 140 C CG . LEU A 1 18 ? 2.712 8.120 0.237 1.00 92.00 18 A 1 ATOM 141 C CD1 . LEU A 1 18 ? 2.216 7.943 1.663 1.00 88.57 18 A 1 ATOM 142 C CD2 . LEU A 1 18 ? 3.640 9.324 0.162 1.00 88.87 18 A 1 ATOM 143 N N . LEU A 1 19 ? 4.962 4.913 -2.252 1.00 95.89 19 A 1 ATOM 144 C CA . LEU A 1 19 ? 6.196 4.340 -2.788 1.00 95.69 19 A 1 ATOM 145 C C . LEU A 1 19 ? 6.189 4.304 -4.318 1.00 96.17 19 A 1 ATOM 146 O O . LEU A 1 19 ? 7.239 4.484 -4.943 1.00 95.11 19 A 1 ATOM 147 C CB . LEU A 1 19 ? 6.378 2.929 -2.218 1.00 95.34 19 A 1 ATOM 148 C CG . LEU A 1 19 ? 7.118 2.921 -0.880 1.00 93.09 19 A 1 ATOM 149 C CD1 . LEU A 1 19 ? 6.759 1.685 -0.075 1.00 89.39 19 A 1 ATOM 150 C CD2 . LEU A 1 19 ? 8.627 2.959 -1.112 1.00 89.37 19 A 1 ATOM 151 N N . LEU A 1 20 ? 5.022 4.090 -4.908 1.00 96.36 20 A 1 ATOM 152 C CA . LEU A 1 20 ? 4.885 4.025 -6.365 1.00 96.19 20 A 1 ATOM 153 C C . LEU A 1 20 ? 4.902 5.402 -7.017 1.00 96.48 20 A 1 ATOM 154 O O . LEU A 1 20 ? 5.317 5.519 -8.171 1.00 95.31 20 A 1 ATOM 155 C CB . LEU A 1 20 ? 3.587 3.294 -6.722 1.00 95.91 20 A 1 ATOM 156 C CG . LEU A 1 20 ? 3.747 1.774 -6.793 1.00 93.66 20 A 1 ATOM 157 C CD1 . LEU A 1 20 ? 2.408 1.089 -6.613 1.00 89.34 20 A 1 ATOM 158 C CD2 . LEU A 1 20 ? 4.351 1.362 -8.132 1.00 89.12 20 A 1 ATOM 159 N N . LEU A 1 21 ? 4.469 6.422 -6.297 1.00 96.36 21 A 1 ATOM 160 C CA . LEU A 1 21 ? 4.411 7.791 -6.822 1.00 95.96 21 A 1 ATOM 161 C C . LEU A 1 21 ? 5.753 8.242 -7.416 1.00 96.09 21 A 1 ATOM 162 O O . LEU A 1 21 ? 5.780 8.644 -8.584 1.00 94.93 21 A 1 ATOM 163 C CB . LEU A 1 21 ? 3.913 8.739 -5.724 1.00 95.32 21 A 1 ATOM 164 C CG . LEU A 1 21 ? 3.626 10.165 -6.197 1.00 91.99 21 A 1 ATOM 165 C CD1 . LEU A 1 21 ? 2.329 10.225 -7.001 1.00 86.63 21 A 1 ATOM 166 C CD2 . LEU A 1 21 ? 3.527 11.092 -4.998 1.00 86.43 21 A 1 ATOM 167 N N . PRO A 1 22 ? 6.872 8.177 -6.679 1.00 96.07 22 A 1 ATOM 168 C CA . PRO A 1 22 ? 8.168 8.536 -7.263 1.00 95.33 22 A 1 ATOM 169 C C . PRO A 1 22 ? 8.650 7.509 -8.286 1.00 94.97 22 A 1 ATOM 170 O O . PRO A 1 22 ? 9.329 7.866 -9.245 1.00 91.80 22 A 1 ATOM 171 C CB . PRO A 1 22 ? 9.111 8.611 -6.056 1.00 93.39 22 A 1 ATOM 172 C CG . PRO A 1 22 ? 8.496 7.710 -5.037 1.00 91.91 22 A 1 ATOM 173 C CD . PRO A 1 22 ? 7.003 7.829 -5.274 1.00 94.95 22 A 1 ATOM 174 N N . GLY A 1 23 ? 8.289 6.258 -8.094 1.00 94.44 23 A 1 ATOM 175 C CA . GLY A 1 23 ? 8.687 5.188 -9.008 1.00 93.33 23 A 1 ATOM 176 C C . GLY A 1 23 ? 8.093 5.329 -10.404 1.00 93.21 23 A 1 ATOM 177 O O . GLY A 1 23 ? 8.711 4.906 -11.381 1.00 90.68 23 A 1 ATOM 178 N N . MET A 1 24 ? 6.916 5.927 -10.508 1.00 92.22 24 A 1 ATOM 179 C CA . MET A 1 24 ? 6.268 6.145 -11.810 1.00 91.23 24 A 1 ATOM 180 C C . MET A 1 24 ? 6.983 7.222 -12.639 1.00 91.71 24 A 1 ATOM 181 O O . MET A 1 24 ? 6.910 7.211 -13.867 1.00 89.82 24 A 1 ATOM 182 C CB . MET A 1 24 ? 4.803 6.521 -11.585 1.00 88.86 24 A 1 ATOM 183 C CG . MET A 1 24 ? 3.991 6.375 -12.858 1.00 84.09 24 A 1 ATOM 184 S SD . MET A 1 24 ? 2.237 6.589 -12.585 1.00 76.72 24 A 1 ATOM 185 C CE . MET A 1 24 ? 1.658 6.468 -14.267 1.00 67.71 24 A 1 ATOM 186 N N . TRP A 1 25 ? 7.652 8.138 -11.970 1.00 91.35 25 A 1 ATOM 187 C CA . TRP A 1 25 ? 8.373 9.231 -12.626 1.00 90.01 25 A 1 ATOM 188 C C . TRP A 1 25 ? 9.883 8.990 -12.696 1.00 89.66 25 A 1 ATOM 189 O O . TRP A 1 25 ? 10.615 9.859 -13.159 1.00 86.26 25 A 1 ATOM 190 C CB . TRP A 1 25 ? 8.065 10.542 -11.907 1.00 87.54 25 A 1 ATOM 191 C CG . TRP A 1 25 ? 6.626 10.942 -11.978 1.00 84.56 25 A 1 ATOM 192 C CD1 . TRP A 1 25 ? 5.663 10.623 -11.079 1.00 79.45 25 A 1 ATOM 193 C CD2 . TRP A 1 25 ? 5.973 11.732 -13.003 1.00 82.81 25 A 1 ATOM 194 N NE1 . TRP A 1 25 ? 4.460 11.163 -11.476 1.00 78.04 25 A 1 ATOM 195 C CE2 . TRP A 1 25 ? 4.612 11.854 -12.654 1.00 81.40 25 A 1 ATOM 196 C CE3 . TRP A 1 25 ? 6.422 12.358 -14.180 1.00 76.01 25 A 1 ATOM 197 C CZ2 . TRP A 1 25 ? 3.705 12.572 -13.445 1.00 77.73 25 A 1 ATOM 198 C CZ3 . TRP A 1 25 ? 5.516 13.075 -14.965 1.00 73.83 25 A 1 ATOM 199 C CH2 . TRP A 1 25 ? 4.172 13.179 -14.601 1.00 74.49 25 A 1 ATOM 200 N N . ALA A 1 26 ? 10.345 7.834 -12.254 1.00 91.47 26 A 1 ATOM 201 C CA . ALA A 1 26 ? 11.761 7.493 -12.228 1.00 88.74 26 A 1 ATOM 202 C C . ALA A 1 26 ? 12.023 6.138 -12.880 1.00 84.65 26 A 1 ATOM 203 O O . ALA A 1 26 ? 11.181 5.234 -12.753 1.00 80.90 26 A 1 ATOM 204 C CB . ALA A 1 26 ? 12.275 7.524 -10.793 1.00 83.89 26 A 1 ATOM 205 O OXT . ALA A 1 26 ? 13.102 5.974 -13.506 1.00 73.60 26 A 1 #