# 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_spkb15861 # _entry.id spkb15861 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" # _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 LYS 2 1 n GLY 3 1 n TRP 4 1 n GLY 5 1 n TRP 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n GLY 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n GLY 16 1 n THR 17 1 n ALA 18 1 n TRP 19 1 n ALA 20 # _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 @ 2025-07-06 13:35:54)" _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 90.78 _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 76.32 1 1 A LYS 2 2 78.97 1 2 A GLY 3 2 91.91 1 3 A TRP 4 2 85.69 1 4 A GLY 5 2 95.10 1 5 A TRP 6 2 89.20 1 6 A LEU 7 2 93.66 1 7 A ALA 8 2 96.29 1 8 A LEU 9 2 93.39 1 9 A LEU 10 2 93.75 1 10 A LEU 11 2 93.79 1 11 A GLY 12 2 96.58 1 12 A ALA 13 2 97.10 1 13 A LEU 14 2 95.30 1 14 A LEU 15 2 94.87 1 15 A GLY 16 2 96.95 1 16 A THR 17 2 94.63 1 17 A ALA 18 2 96.83 1 18 A TRP 19 2 88.88 1 19 A ALA 20 2 90.07 1 20 # _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 LYS . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 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 THR . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -0.648 6.344 12.974 1.00 81.55 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.061 5.299 12.102 1.00 83.13 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.396 5.048 12.481 1.00 85.00 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.305 5.598 11.869 1.00 79.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.133 5.762 10.649 1.00 77.30 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.556 6.039 10.226 1.00 74.50 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.652 6.546 8.496 1.00 68.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.134 8.241 8.641 1.00 60.53 1 A 1 ATOM 9 N N . LYS A 1 2 ? 1.610 4.242 13.497 1.00 87.23 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 2.973 3.947 13.958 1.00 88.79 2 A 1 ATOM 11 C C . LYS A 1 2 ? 3.689 3.005 12.992 1.00 89.74 2 A 1 ATOM 12 O O . LYS A 1 2 ? 4.807 3.271 12.576 1.00 85.61 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 2.903 3.329 15.348 1.00 84.55 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 2.481 4.365 16.379 1.00 76.58 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 2.545 3.792 17.776 1.00 73.92 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.090 4.831 18.787 1.00 65.51 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.054 5.971 18.827 1.00 58.82 2 A 1 ATOM 18 N N . GLY A 1 3 ? 3.072 1.893 12.625 1.00 90.04 3 A 1 ATOM 19 C CA . GLY A 1 3 ? 3.689 0.939 11.692 1.00 92.09 3 A 1 ATOM 20 C C . GLY A 1 3 ? 2.712 0.503 10.614 1.00 93.80 3 A 1 ATOM 21 O O . GLY A 1 3 ? 2.614 -0.676 10.307 1.00 91.70 3 A 1 ATOM 22 N N . TRP A 1 4 ? 1.996 1.462 10.066 1.00 92.92 4 A 1 ATOM 23 C CA . TRP A 1 4 ? 0.982 1.182 9.054 1.00 92.88 4 A 1 ATOM 24 C C . TRP A 1 4 ? 1.380 1.754 7.689 1.00 93.77 4 A 1 ATOM 25 O O . TRP A 1 4 ? 0.572 1.851 6.775 1.00 91.36 4 A 1 ATOM 26 C CB . TRP A 1 4 ? -0.339 1.782 9.553 1.00 90.77 4 A 1 ATOM 27 C CG . TRP A 1 4 ? -1.239 2.194 8.453 1.00 88.67 4 A 1 ATOM 28 C CD1 . TRP A 1 4 ? -1.510 3.462 8.064 1.00 83.43 4 A 1 ATOM 29 C CD2 . TRP A 1 4 ? -1.972 1.329 7.558 1.00 85.42 4 A 1 ATOM 30 N NE1 . TRP A 1 4 ? -2.377 3.448 6.997 1.00 81.01 4 A 1 ATOM 31 C CE2 . TRP A 1 4 ? -2.675 2.146 6.659 1.00 84.93 4 A 1 ATOM 32 C CE3 . TRP A 1 4 ? -2.097 -0.058 7.443 1.00 79.03 4 A 1 ATOM 33 C CZ2 . TRP A 1 4 ? -3.487 1.620 5.660 1.00 81.49 4 A 1 ATOM 34 C CZ3 . TRP A 1 4 ? -2.903 -0.581 6.454 1.00 76.93 4 A 1 ATOM 35 C CH2 . TRP A 1 4 ? -3.586 0.249 5.565 1.00 77.04 4 A 1 ATOM 36 N N . GLY A 1 5 ? 2.645 2.153 7.524 1.00 94.70 5 A 1 ATOM 37 C CA . GLY A 1 5 ? 3.113 2.738 6.261 1.00 94.83 5 A 1 ATOM 38 C C . GLY A 1 5 ? 3.415 1.687 5.204 1.00 95.84 5 A 1 ATOM 39 O O . GLY A 1 5 ? 2.990 1.806 4.060 1.00 95.02 5 A 1 ATOM 40 N N . TRP A 1 6 ? 4.169 0.650 5.589 1.00 94.64 6 A 1 ATOM 41 C CA . TRP A 1 6 ? 4.543 -0.394 4.631 1.00 95.07 6 A 1 ATOM 42 C C . TRP A 1 6 ? 3.311 -1.138 4.118 1.00 95.88 6 A 1 ATOM 43 O O . TRP A 1 6 ? 3.290 -1.598 2.982 1.00 95.13 6 A 1 ATOM 44 C CB . TRP A 1 6 ? 5.516 -1.366 5.300 1.00 94.40 6 A 1 ATOM 45 C CG . TRP A 1 6 ? 4.840 -2.225 6.318 1.00 92.24 6 A 1 ATOM 46 C CD1 . TRP A 1 6 ? 4.578 -1.911 7.604 1.00 86.79 6 A 1 ATOM 47 C CD2 . TRP A 1 6 ? 4.313 -3.558 6.104 1.00 89.49 6 A 1 ATOM 48 N NE1 . TRP A 1 6 ? 3.921 -2.955 8.212 1.00 85.57 6 A 1 ATOM 49 C CE2 . TRP A 1 6 ? 3.752 -3.988 7.308 1.00 89.09 6 A 1 ATOM 50 C CE3 . TRP A 1 6 ? 4.287 -4.418 4.998 1.00 83.70 6 A 1 ATOM 51 C CZ2 . TRP A 1 6 ? 3.159 -5.244 7.442 1.00 85.75 6 A 1 ATOM 52 C CZ3 . TRP A 1 6 ? 3.696 -5.675 5.131 1.00 80.25 6 A 1 ATOM 53 C CH2 . TRP A 1 6 ? 3.136 -6.072 6.343 1.00 80.80 6 A 1 ATOM 54 N N . LEU A 1 7 ? 2.287 -1.240 4.932 1.00 95.90 7 A 1 ATOM 55 C CA . LEU A 1 7 ? 1.051 -1.922 4.517 1.00 95.98 7 A 1 ATOM 56 C C . LEU A 1 7 ? 0.441 -1.209 3.317 1.00 96.53 7 A 1 ATOM 57 O O . LEU A 1 7 ? -0.090 -1.843 2.409 1.00 96.48 7 A 1 ATOM 58 C CB . LEU A 1 7 ? 0.067 -1.915 5.686 1.00 95.77 7 A 1 ATOM 59 C CG . LEU A 1 7 ? 0.424 -2.959 6.735 1.00 92.74 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -0.317 -2.669 8.032 1.00 88.26 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? 0.047 -4.348 6.227 1.00 87.66 7 A 1 ATOM 62 N N . ALA A 1 8 ? 0.520 0.095 3.298 1.00 96.35 8 A 1 ATOM 63 C CA . ALA A 1 8 ? -0.016 0.888 2.187 1.00 96.41 8 A 1 ATOM 64 C C . ALA A 1 8 ? 0.749 0.580 0.902 1.00 96.64 8 A 1 ATOM 65 O O . ALA A 1 8 ? 0.172 0.561 -0.181 1.00 96.03 8 A 1 ATOM 66 C CB . ALA A 1 8 ? 0.093 2.369 2.529 1.00 96.01 8 A 1 ATOM 67 N N . LEU A 1 9 ? 2.051 0.341 1.016 1.00 95.97 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 2.875 0.031 -0.159 1.00 95.84 9 A 1 ATOM 69 C C . LEU A 1 9 ? 2.497 -1.336 -0.723 1.00 96.37 9 A 1 ATOM 70 O O . LEU A 1 9 ? 2.433 -1.515 -1.938 1.00 96.07 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 4.351 0.038 0.248 1.00 95.56 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 4.823 1.405 0.740 1.00 91.58 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 6.254 1.309 1.253 1.00 87.99 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 4.755 2.425 -0.396 1.00 87.74 9 A 1 ATOM 75 N N . LEU A 1 10 ? 2.256 -2.290 0.159 1.00 95.92 10 A 1 ATOM 76 C CA . LEU A 1 10 ? 1.876 -3.640 -0.272 1.00 95.89 10 A 1 ATOM 77 C C . LEU A 1 10 ? 0.555 -3.601 -1.037 1.00 96.47 10 A 1 ATOM 78 O O . LEU A 1 10 ? 0.439 -4.147 -2.134 1.00 96.52 10 A 1 ATOM 79 C CB . LEU A 1 10 ? 1.757 -4.542 0.961 1.00 95.78 10 A 1 ATOM 80 C CG . LEU A 1 10 ? 2.676 -5.759 0.868 1.00 92.28 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? 2.817 -6.414 2.239 1.00 88.52 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? 2.116 -6.763 -0.129 1.00 88.66 10 A 1 ATOM 83 N N . LEU A 1 11 ? -0.426 -2.947 -0.464 1.00 96.24 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -1.735 -2.826 -1.120 1.00 96.21 11 A 1 ATOM 85 C C . LEU A 1 11 ? -1.640 -1.901 -2.326 1.00 96.63 11 A 1 ATOM 86 O O . LEU A 1 11 ? -2.268 -2.149 -3.357 1.00 96.51 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -2.734 -2.268 -0.111 1.00 95.82 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -3.036 -3.269 1.002 1.00 92.09 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -3.726 -2.561 2.160 1.00 88.42 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -3.933 -4.383 0.465 1.00 88.42 11 A 1 ATOM 91 N N . GLY A 1 12 ? -0.865 -0.847 -2.211 1.00 96.45 12 A 1 ATOM 92 C CA . GLY A 1 12 ? -0.690 0.101 -3.315 1.00 96.15 12 A 1 ATOM 93 C C . GLY A 1 12 ? -0.047 -0.562 -4.520 1.00 96.98 12 A 1 ATOM 94 O O . GLY A 1 12 ? -0.442 -0.323 -5.661 1.00 96.75 12 A 1 ATOM 95 N N . ALA A 1 13 ? 0.955 -1.401 -4.282 1.00 97.19 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 1.639 -2.106 -5.373 1.00 97.22 13 A 1 ATOM 97 C C . ALA A 1 13 ? 0.661 -3.010 -6.120 1.00 97.68 13 A 1 ATOM 98 O O . ALA A 1 13 ? 0.705 -3.106 -7.348 1.00 96.83 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 2.787 -2.931 -4.796 1.00 96.58 13 A 1 ATOM 100 N N . LEU A 1 14 ? -0.205 -3.662 -5.375 1.00 97.22 14 A 1 ATOM 101 C CA . LEU A 1 14 ? -1.202 -4.552 -5.983 1.00 97.08 14 A 1 ATOM 102 C C . LEU A 1 14 ? -2.153 -3.746 -6.863 1.00 97.41 14 A 1 ATOM 103 O O . LEU A 1 14 ? -2.503 -4.166 -7.968 1.00 97.00 14 A 1 ATOM 104 C CB . LEU A 1 14 ? -1.970 -5.266 -4.867 1.00 96.76 14 A 1 ATOM 105 C CG . LEU A 1 14 ? -2.122 -6.761 -5.133 1.00 94.61 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? -2.520 -7.477 -3.847 1.00 91.16 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? -3.163 -7.013 -6.206 1.00 91.15 14 A 1 ATOM 108 N N . LEU A 1 15 ? -2.561 -2.584 -6.386 1.00 97.22 15 A 1 ATOM 109 C CA . LEU A 1 15 ? -3.460 -1.711 -7.143 1.00 96.92 15 A 1 ATOM 110 C C . LEU A 1 15 ? -2.769 -1.213 -8.406 1.00 97.12 15 A 1 ATOM 111 O O . LEU A 1 15 ? -3.346 -1.217 -9.490 1.00 96.45 15 A 1 ATOM 112 C CB . LEU A 1 15 ? -3.873 -0.525 -6.259 1.00 96.41 15 A 1 ATOM 113 C CG . LEU A 1 15 ? -5.302 -0.627 -5.730 1.00 94.38 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? -6.287 -0.569 -6.886 1.00 90.39 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? -5.474 -1.939 -4.972 1.00 90.05 15 A 1 ATOM 116 N N . GLY A 1 16 ? -1.526 -0.779 -8.270 1.00 97.07 16 A 1 ATOM 117 C CA . GLY A 1 16 ? -0.770 -0.274 -9.419 1.00 96.77 16 A 1 ATOM 118 C C . GLY A 1 16 ? -0.600 -1.329 -10.496 1.00 97.27 16 A 1 ATOM 119 O O . GLY A 1 16 ? -0.772 -1.053 -11.683 1.00 96.71 16 A 1 ATOM 120 N N . THR A 1 17 ? -0.257 -2.544 -10.108 1.00 97.22 17 A 1 ATOM 121 C CA . THR A 1 17 ? -0.076 -3.629 -11.082 1.00 97.09 17 A 1 ATOM 122 C C . THR A 1 17 ? -1.390 -3.952 -11.783 1.00 97.40 17 A 1 ATOM 123 O O . THR A 1 17 ? -1.401 -4.259 -12.975 1.00 96.18 17 A 1 ATOM 124 C CB . THR A 1 17 ? 0.436 -4.886 -10.366 1.00 95.78 17 A 1 ATOM 125 O OG1 . THR A 1 17 ? -0.269 -5.065 -9.151 1.00 90.01 17 A 1 ATOM 126 C CG2 . THR A 1 17 ? 1.915 -4.753 -10.066 1.00 88.76 17 A 1 ATOM 127 N N . ALA A 1 18 ? -2.480 -3.882 -11.061 1.00 97.21 18 A 1 ATOM 128 C CA . ALA A 1 18 ? -3.797 -4.169 -11.639 1.00 96.96 18 A 1 ATOM 129 C C . ALA A 1 18 ? -4.177 -3.114 -12.676 1.00 97.26 18 A 1 ATOM 130 O O . ALA A 1 18 ? -4.737 -3.433 -13.721 1.00 96.38 18 A 1 ATOM 131 C CB . ALA A 1 18 ? -4.841 -4.216 -10.529 1.00 96.35 18 A 1 ATOM 132 N N . TRP A 1 19 ? -3.878 -1.844 -12.370 1.00 95.74 19 A 1 ATOM 133 C CA . TRP A 1 19 ? -4.208 -0.752 -13.298 1.00 94.82 19 A 1 ATOM 134 C C . TRP A 1 19 ? -3.165 -0.627 -14.401 1.00 95.26 19 A 1 ATOM 135 O O . TRP A 1 19 ? -3.440 -0.042 -15.441 1.00 93.94 19 A 1 ATOM 136 C CB . TRP A 1 19 ? -4.294 0.563 -12.519 1.00 93.17 19 A 1 ATOM 137 C CG . TRP A 1 19 ? -5.239 0.473 -11.356 1.00 89.70 19 A 1 ATOM 138 C CD1 . TRP A 1 19 ? -5.000 0.906 -10.089 1.00 86.66 19 A 1 ATOM 139 C CD2 . TRP A 1 19 ? -6.564 -0.080 -11.337 1.00 89.13 19 A 1 ATOM 140 N NE1 . TRP A 1 19 ? -6.084 0.659 -9.293 1.00 86.42 19 A 1 ATOM 141 C CE2 . TRP A 1 19 ? -7.069 0.044 -10.025 1.00 88.54 19 A 1 ATOM 142 C CE3 . TRP A 1 19 ? -7.386 -0.681 -12.314 1.00 84.54 19 A 1 ATOM 143 C CZ2 . TRP A 1 19 ? -8.335 -0.403 -9.671 1.00 84.79 19 A 1 ATOM 144 C CZ3 . TRP A 1 19 ? -8.642 -1.129 -11.960 1.00 80.32 19 A 1 ATOM 145 C CH2 . TRP A 1 19 ? -9.116 -0.990 -10.653 1.00 81.27 19 A 1 ATOM 146 N N . ALA A 1 20 ? -1.976 -1.158 -14.207 1.00 94.72 20 A 1 ATOM 147 C CA . ALA A 1 20 ? -0.897 -1.067 -15.193 1.00 93.47 20 A 1 ATOM 148 C C . ALA A 1 20 ? -1.112 -2.104 -16.299 1.00 92.04 20 A 1 ATOM 149 O O . ALA A 1 20 ? -1.156 -1.720 -17.480 1.00 87.38 20 A 1 ATOM 150 C CB . ALA A 1 20 ? 0.448 -1.270 -14.506 1.00 90.69 20 A 1 ATOM 151 O OXT . ALA A 1 20 ? -1.229 -3.289 -15.975 1.00 82.13 20 A 1 #