# 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_spkb22333 # _entry.id spkb22333 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "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 ASP 2 1 n LYS 3 1 n ILE 4 1 n LEU 5 1 n GLY 6 1 n ALA 7 1 n SER 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n TRP 13 1 n LEU 14 1 n GLN 15 1 n LEU 16 1 n CYS 17 1 n TRP 18 1 n VAL 19 1 n SER 20 1 n GLY 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 @ 2025-07-10 19:02:31)" _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 94.18 _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 87.05 1 1 A ASP 2 2 87.78 1 2 A LYS 3 2 90.37 1 3 A ILE 4 2 93.76 1 4 A LEU 5 2 92.98 1 5 A GLY 6 2 97.02 1 6 A ALA 7 2 97.76 1 7 A SER 8 2 96.06 1 8 A PHE 9 2 94.86 1 9 A LEU 10 2 95.44 1 10 A VAL 11 2 97.53 1 11 A LEU 12 2 96.12 1 12 A TRP 13 2 94.91 1 13 A LEU 14 2 96.62 1 14 A GLN 15 2 94.80 1 15 A LEU 16 2 96.43 1 16 A CYS 17 2 97.85 1 17 A TRP 18 2 94.93 1 18 A VAL 19 2 97.09 1 19 A SER 20 2 93.86 1 20 A GLY 21 2 85.08 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 ASP . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n TRP . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n GLY . 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 ? -15.698 7.492 6.259 1.00 93.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.852 6.324 6.603 1.00 95.07 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.726 6.132 5.565 1.00 95.03 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.415 5.017 5.172 1.00 92.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.751 5.089 6.735 1.00 92.16 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.210 4.058 7.723 1.00 83.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.436 2.761 8.018 1.00 75.33 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.639 1.840 9.324 1.00 69.39 1 A 1 ATOM 9 N N . ASP A 1 2 ? -13.145 7.216 5.125 1.00 94.76 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -12.106 7.248 4.087 1.00 95.96 2 A 1 ATOM 11 C C . ASP A 1 2 ? -10.691 7.184 4.673 1.00 96.76 2 A 1 ATOM 12 O O . ASP A 1 2 ? -9.718 6.982 3.946 1.00 95.15 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -12.304 8.529 3.273 1.00 92.94 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -12.288 9.767 4.161 1.00 79.89 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -13.256 9.950 4.922 1.00 73.10 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -11.289 10.500 4.099 1.00 73.69 2 A 1 ATOM 17 N N . LYS A 1 3 ? -10.566 7.311 5.980 1.00 95.58 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -9.272 7.314 6.668 1.00 97.14 3 A 1 ATOM 19 C C . LYS A 1 3 ? -8.549 5.967 6.528 1.00 97.43 3 A 1 ATOM 20 O O . LYS A 1 3 ? -7.325 5.932 6.406 1.00 96.62 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -9.499 7.692 8.139 1.00 96.70 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -8.208 8.141 8.815 1.00 91.03 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -8.470 8.587 10.250 1.00 86.54 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -7.175 9.043 10.905 1.00 79.46 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -7.372 9.418 12.319 1.00 72.80 3 A 1 ATOM 26 N N . ILE A 1 4 ? -9.301 4.875 6.509 1.00 95.71 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -8.746 3.523 6.392 1.00 96.80 4 A 1 ATOM 28 C C . ILE A 1 4 ? -8.178 3.305 4.989 1.00 97.22 4 A 1 ATOM 29 O O . ILE A 1 4 ? -7.077 2.772 4.841 1.00 96.99 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -9.816 2.467 6.740 1.00 96.66 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -10.329 2.667 8.182 1.00 92.52 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? -9.242 1.052 6.573 1.00 90.13 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -11.589 1.856 8.500 1.00 84.07 4 A 1 ATOM 34 N N . LEU A 1 5 ? -8.900 3.742 3.969 1.00 96.25 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -8.458 3.615 2.580 1.00 96.77 5 A 1 ATOM 36 C C . LEU A 1 5 ? -7.176 4.411 2.328 1.00 97.20 5 A 1 ATOM 37 O O . LEU A 1 5 ? -6.232 3.888 1.741 1.00 97.14 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -9.586 4.076 1.647 1.00 96.37 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -10.698 3.037 1.495 1.00 90.22 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -11.963 3.699 0.946 1.00 84.84 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -10.273 1.927 0.540 1.00 85.09 5 A 1 ATOM 42 N N . GLY A 1 6 ? -7.123 5.637 2.818 1.00 96.66 6 A 1 ATOM 43 C CA . GLY A 1 6 ? -5.931 6.476 2.684 1.00 96.92 6 A 1 ATOM 44 C C . GLY A 1 6 ? -4.722 5.891 3.411 1.00 97.43 6 A 1 ATOM 45 O O . GLY A 1 6 ? -3.632 5.825 2.847 1.00 97.07 6 A 1 ATOM 46 N N . ALA A 1 7 ? -4.915 5.417 4.630 1.00 97.56 7 A 1 ATOM 47 C CA . ALA A 1 7 ? -3.839 4.808 5.413 1.00 97.90 7 A 1 ATOM 48 C C . ALA A 1 7 ? -3.342 3.508 4.773 1.00 98.19 7 A 1 ATOM 49 O O . ALA A 1 7 ? -2.136 3.306 4.653 1.00 97.78 7 A 1 ATOM 50 C CB . ALA A 1 7 ? -4.335 4.568 6.840 1.00 97.37 7 A 1 ATOM 51 N N . SER A 1 8 ? -4.254 2.651 4.323 1.00 97.33 8 A 1 ATOM 52 C CA . SER A 1 8 ? -3.897 1.392 3.667 1.00 97.70 8 A 1 ATOM 53 C C . SER A 1 8 ? -3.133 1.634 2.369 1.00 98.05 8 A 1 ATOM 54 O O . SER A 1 8 ? -2.140 0.962 2.106 1.00 97.68 8 A 1 ATOM 55 C CB . SER A 1 8 ? -5.145 0.564 3.376 1.00 97.15 8 A 1 ATOM 56 O OG . SER A 1 8 ? -5.744 0.135 4.579 1.00 88.47 8 A 1 ATOM 57 N N . PHE A 1 9 ? -3.562 2.605 1.586 1.00 97.86 9 A 1 ATOM 58 C CA . PHE A 1 9 ? -2.888 2.963 0.338 1.00 97.99 9 A 1 ATOM 59 C C . PHE A 1 9 ? -1.475 3.486 0.605 1.00 98.21 9 A 1 ATOM 60 O O . PHE A 1 9 ? -0.528 3.082 -0.067 1.00 98.00 9 A 1 ATOM 61 C CB . PHE A 1 9 ? -3.731 4.001 -0.401 1.00 97.66 9 A 1 ATOM 62 C CG . PHE A 1 9 ? -3.245 4.244 -1.809 1.00 95.41 9 A 1 ATOM 63 C CD1 . PHE A 1 9 ? -2.397 5.318 -2.092 1.00 92.46 9 A 1 ATOM 64 C CD2 . PHE A 1 9 ? -3.628 3.373 -2.832 1.00 92.53 9 A 1 ATOM 65 C CE1 . PHE A 1 9 ? -1.931 5.528 -3.395 1.00 91.09 9 A 1 ATOM 66 C CE2 . PHE A 1 9 ? -3.162 3.580 -4.134 1.00 90.63 9 A 1 ATOM 67 C CZ . PHE A 1 9 ? -2.313 4.655 -4.417 1.00 91.62 9 A 1 ATOM 68 N N . LEU A 1 10 ? -1.323 4.331 1.607 1.00 97.84 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -0.020 4.881 1.980 1.00 97.84 10 A 1 ATOM 70 C C . LEU A 1 10 ? 0.936 3.784 2.459 1.00 98.11 10 A 1 ATOM 71 O O . LEU A 1 10 ? 2.097 3.757 2.061 1.00 98.05 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -0.220 5.939 3.072 1.00 97.66 10 A 1 ATOM 73 C CG . LEU A 1 10 ? 0.926 6.954 3.112 1.00 93.42 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? 0.481 8.283 2.499 1.00 89.87 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? 1.382 7.199 4.544 1.00 90.73 10 A 1 ATOM 76 N N . VAL A 1 11 ? 0.444 2.863 3.276 1.00 98.26 11 A 1 ATOM 77 C CA . VAL A 1 11 ? 1.243 1.738 3.786 1.00 98.22 11 A 1 ATOM 78 C C . VAL A 1 11 ? 1.658 0.810 2.649 1.00 98.31 11 A 1 ATOM 79 O O . VAL A 1 11 ? 2.808 0.373 2.598 1.00 98.06 11 A 1 ATOM 80 C CB . VAL A 1 11 ? 0.462 0.973 4.869 1.00 97.89 11 A 1 ATOM 81 C CG1 . VAL A 1 11 ? 1.159 -0.324 5.279 1.00 96.03 11 A 1 ATOM 82 C CG2 . VAL A 1 11 ? 0.307 1.833 6.121 1.00 95.92 11 A 1 ATOM 83 N N . LEU A 1 12 ? 0.746 0.526 1.728 1.00 98.33 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 1.041 -0.310 0.563 1.00 98.27 12 A 1 ATOM 85 C C . LEU A 1 12 ? 2.129 0.329 -0.307 1.00 98.40 12 A 1 ATOM 86 O O . LEU A 1 12 ? 3.065 -0.343 -0.735 1.00 98.28 12 A 1 ATOM 87 C CB . LEU A 1 12 ? -0.246 -0.513 -0.250 1.00 98.16 12 A 1 ATOM 88 C CG . LEU A 1 12 ? -0.194 -1.791 -1.098 1.00 94.22 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? -0.816 -2.960 -0.333 1.00 91.01 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? -0.946 -1.602 -2.404 1.00 92.33 12 A 1 ATOM 91 N N . TRP A 1 13 ? 2.022 1.628 -0.530 1.00 97.83 13 A 1 ATOM 92 C CA . TRP A 1 13 ? 3.005 2.383 -1.314 1.00 97.88 13 A 1 ATOM 93 C C . TRP A 1 13 ? 4.370 2.396 -0.624 1.00 98.04 13 A 1 ATOM 94 O O . TRP A 1 13 ? 5.398 2.200 -1.273 1.00 97.76 13 A 1 ATOM 95 C CB . TRP A 1 13 ? 2.476 3.799 -1.540 1.00 97.76 13 A 1 ATOM 96 C CG . TRP A 1 13 ? 2.855 4.349 -2.873 1.00 96.55 13 A 1 ATOM 97 C CD1 . TRP A 1 13 ? 2.290 3.998 -4.051 1.00 93.19 13 A 1 ATOM 98 C CD2 . TRP A 1 13 ? 3.884 5.328 -3.185 1.00 94.84 13 A 1 ATOM 99 N NE1 . TRP A 1 13 ? 2.899 4.699 -5.081 1.00 92.84 13 A 1 ATOM 100 C CE2 . TRP A 1 13 ? 3.878 5.527 -4.591 1.00 94.87 13 A 1 ATOM 101 C CE3 . TRP A 1 13 ? 4.808 6.063 -2.413 1.00 93.86 13 A 1 ATOM 102 C CZ2 . TRP A 1 13 ? 4.763 6.427 -5.214 1.00 93.54 13 A 1 ATOM 103 C CZ3 . TRP A 1 13 ? 5.690 6.962 -3.035 1.00 89.79 13 A 1 ATOM 104 C CH2 . TRP A 1 13 ? 5.664 7.134 -4.420 1.00 89.92 13 A 1 ATOM 105 N N . LEU A 1 14 ? 4.380 2.550 0.683 1.00 98.34 14 A 1 ATOM 106 C CA . LEU A 1 14 ? 5.610 2.514 1.474 1.00 98.21 14 A 1 ATOM 107 C C . LEU A 1 14 ? 6.282 1.140 1.392 1.00 98.27 14 A 1 ATOM 108 O O . LEU A 1 14 ? 7.499 1.060 1.228 1.00 98.05 14 A 1 ATOM 109 C CB . LEU A 1 14 ? 5.267 2.872 2.927 1.00 98.08 14 A 1 ATOM 110 C CG . LEU A 1 14 ? 6.511 3.178 3.772 1.00 95.54 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? 7.025 4.592 3.490 1.00 92.75 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? 6.176 3.065 5.254 1.00 93.71 14 A 1 ATOM 113 N N . GLN A 1 15 ? 5.505 0.060 1.465 1.00 98.26 15 A 1 ATOM 114 C CA . GLN A 1 15 ? 6.031 -1.301 1.342 1.00 98.30 15 A 1 ATOM 115 C C . GLN A 1 15 ? 6.631 -1.541 -0.043 1.00 98.43 15 A 1 ATOM 116 O O . GLN A 1 15 ? 7.735 -2.074 -0.152 1.00 97.92 15 A 1 ATOM 117 C CB . GLN A 1 15 ? 4.923 -2.320 1.620 1.00 98.07 15 A 1 ATOM 118 C CG . GLN A 1 15 ? 4.675 -2.480 3.120 1.00 95.09 15 A 1 ATOM 119 C CD . GLN A 1 15 ? 3.705 -3.616 3.398 1.00 92.27 15 A 1 ATOM 120 O OE1 . GLN A 1 15 ? 3.909 -4.757 3.011 1.00 88.08 15 A 1 ATOM 121 N NE2 . GLN A 1 15 ? 2.615 -3.349 4.076 1.00 86.80 15 A 1 ATOM 122 N N . LEU A 1 16 ? 5.948 -1.110 -1.092 1.00 98.30 16 A 1 ATOM 123 C CA . LEU A 1 16 ? 6.463 -1.226 -2.458 1.00 98.17 16 A 1 ATOM 124 C C . LEU A 1 16 ? 7.766 -0.441 -2.627 1.00 98.25 16 A 1 ATOM 125 O O . LEU A 1 16 ? 8.712 -0.941 -3.238 1.00 97.97 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 5.395 -0.726 -3.442 1.00 97.97 16 A 1 ATOM 127 C CG . LEU A 1 16 ? 4.232 -1.707 -3.638 1.00 95.51 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? 3.062 -0.997 -4.317 1.00 92.48 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? 4.649 -2.896 -4.504 1.00 92.81 16 A 1 ATOM 130 N N . CYS A 1 17 ? 7.839 0.747 -2.055 1.00 98.40 17 A 1 ATOM 131 C CA . CYS A 1 17 ? 9.049 1.566 -2.097 1.00 98.32 17 A 1 ATOM 132 C C . CYS A 1 17 ? 10.203 0.895 -1.340 1.00 98.37 17 A 1 ATOM 133 O O . CYS A 1 17 ? 11.334 0.887 -1.816 1.00 97.87 17 A 1 ATOM 134 C CB . CYS A 1 17 ? 8.715 2.945 -1.517 1.00 98.00 17 A 1 ATOM 135 S SG . CYS A 1 17 ? 10.053 4.108 -1.845 1.00 96.16 17 A 1 ATOM 136 N N . TRP A 1 18 ? 9.913 0.279 -0.200 1.00 98.08 18 A 1 ATOM 137 C CA . TRP A 1 18 ? 10.927 -0.405 0.612 1.00 98.16 18 A 1 ATOM 138 C C . TRP A 1 18 ? 11.443 -1.678 -0.064 1.00 98.33 18 A 1 ATOM 139 O O . TRP A 1 18 ? 12.632 -1.978 0.011 1.00 97.97 18 A 1 ATOM 140 C CB . TRP A 1 18 ? 10.343 -0.714 1.990 1.00 97.94 18 A 1 ATOM 141 C CG . TRP A 1 18 ? 11.376 -0.968 3.041 1.00 96.34 18 A 1 ATOM 142 C CD1 . TRP A 1 18 ? 12.379 -0.125 3.374 1.00 92.89 18 A 1 ATOM 143 C CD2 . TRP A 1 18 ? 11.527 -2.137 3.899 1.00 94.68 18 A 1 ATOM 144 N NE1 . TRP A 1 18 ? 13.150 -0.689 4.379 1.00 93.18 18 A 1 ATOM 145 C CE2 . TRP A 1 18 ? 12.653 -1.918 4.734 1.00 94.87 18 A 1 ATOM 146 C CE3 . TRP A 1 18 ? 10.812 -3.341 4.047 1.00 93.63 18 A 1 ATOM 147 C CZ2 . TRP A 1 18 ? 13.071 -2.872 5.685 1.00 92.88 18 A 1 ATOM 148 C CZ3 . TRP A 1 18 ? 11.222 -4.295 5.001 1.00 90.07 18 A 1 ATOM 149 C CH2 . TRP A 1 18 ? 12.344 -4.055 5.805 1.00 89.94 18 A 1 ATOM 150 N N . VAL A 1 19 ? 10.562 -2.405 -0.748 1.00 98.52 19 A 1 ATOM 151 C CA . VAL A 1 19 ? 10.960 -3.609 -1.496 1.00 98.37 19 A 1 ATOM 152 C C . VAL A 1 19 ? 11.777 -3.236 -2.740 1.00 98.35 19 A 1 ATOM 153 O O . VAL A 1 19 ? 12.691 -3.968 -3.121 1.00 97.76 19 A 1 ATOM 154 C CB . VAL A 1 19 ? 9.714 -4.436 -1.873 1.00 97.82 19 A 1 ATOM 155 C CG1 . VAL A 1 19 ? 10.047 -5.602 -2.805 1.00 94.17 19 A 1 ATOM 156 C CG2 . VAL A 1 19 ? 9.053 -5.022 -0.627 1.00 94.67 19 A 1 ATOM 157 N N . SER A 1 20 ? 11.466 -2.124 -3.354 1.00 97.61 20 A 1 ATOM 158 C CA . SER A 1 20 ? 12.168 -1.654 -4.553 1.00 97.10 20 A 1 ATOM 159 C C . SER A 1 20 ? 13.501 -0.967 -4.239 1.00 96.25 20 A 1 ATOM 160 O O . SER A 1 20 ? 14.383 -0.938 -5.098 1.00 92.57 20 A 1 ATOM 161 C CB . SER A 1 20 ? 11.258 -0.704 -5.333 1.00 95.56 20 A 1 ATOM 162 O OG . SER A 1 20 ? 11.821 -0.419 -6.597 1.00 84.06 20 A 1 ATOM 163 N N . GLY A 1 21 ? 13.640 -0.411 -3.049 1.00 93.47 21 A 1 ATOM 164 C CA . GLY A 1 21 ? 14.822 0.340 -2.636 1.00 89.87 21 A 1 ATOM 165 C C . GLY A 1 21 ? 15.700 -0.420 -1.657 1.00 83.47 21 A 1 ATOM 166 O O . GLY A 1 21 ? 15.150 -1.022 -0.721 1.00 75.45 21 A 1 ATOM 167 O OXT . GLY A 1 21 ? 16.946 -0.364 -1.800 1.00 83.14 21 A 1 #