# 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_spkb15712 # _entry.id spkb15712 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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" "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" "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" "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 GLY 2 1 n ALA 3 1 n CYS 4 1 n ASN 5 1 n ILE 6 1 n THR 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n ILE 13 1 n MET 14 1 n LEU 15 1 n TRP 16 1 n LEU 17 1 n PRO 18 1 n HIS 19 1 n GLY 20 1 n LEU 21 1 n SER 22 # _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 20:59:45)" _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 89.86 _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 79.22 1 1 A GLY 2 2 90.58 1 2 A ALA 3 2 93.46 1 3 A CYS 4 2 92.92 1 4 A ASN 5 2 92.10 1 5 A ILE 6 2 95.33 1 6 A THR 7 2 94.40 1 7 A VAL 8 2 96.01 1 8 A LEU 9 2 94.21 1 9 A LEU 10 2 93.25 1 10 A LEU 11 2 93.19 1 11 A VAL 12 2 94.95 1 12 A ILE 13 2 94.14 1 13 A MET 14 2 90.48 1 14 A LEU 15 2 93.15 1 15 A TRP 16 2 88.91 1 16 A LEU 17 2 90.94 1 17 A PRO 18 2 91.88 1 18 A HIS 19 2 82.17 1 19 A GLY 20 2 84.24 1 20 A LEU 21 2 78.74 1 21 A SER 22 2 75.33 1 22 # _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 GLY . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n VAL . 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 VAL . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n HIS . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? -11.375 -6.587 15.348 1.00 85.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.476 -5.540 14.826 1.00 87.30 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.318 -5.685 13.309 1.00 87.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.240 -5.995 12.818 1.00 80.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.100 -5.660 15.487 1.00 81.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.171 -5.399 16.981 1.00 76.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.603 -5.762 17.783 1.00 71.59 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.986 -5.285 19.459 1.00 63.39 1 A 1 ATOM 9 N N . GLY A 1 2 ? -11.399 -5.478 12.589 1.00 87.92 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -11.355 -5.606 11.131 1.00 91.24 2 A 1 ATOM 11 C C . GLY A 1 2 ? -10.723 -4.396 10.463 1.00 92.91 2 A 1 ATOM 12 O O . GLY A 1 2 ? -10.163 -4.500 9.378 1.00 90.25 2 A 1 ATOM 13 N N . ALA A 1 3 ? -10.807 -3.244 11.104 1.00 92.43 3 A 1 ATOM 14 C CA . ALA A 1 3 ? -10.236 -2.013 10.548 1.00 94.46 3 A 1 ATOM 15 C C . ALA A 1 3 ? -8.709 -2.020 10.610 1.00 95.27 3 A 1 ATOM 16 O O . ALA A 1 3 ? -8.049 -1.276 9.893 1.00 93.14 3 A 1 ATOM 17 C CB . ALA A 1 3 ? -10.785 -0.808 11.304 1.00 92.02 3 A 1 ATOM 18 N N . CYS A 1 4 ? -8.163 -2.866 11.468 1.00 94.31 4 A 1 ATOM 19 C CA . CYS A 1 4 ? -6.707 -2.957 11.621 1.00 95.26 4 A 1 ATOM 20 C C . CYS A 1 4 ? -6.051 -3.471 10.340 1.00 96.45 4 A 1 ATOM 21 O O . CYS A 1 4 ? -5.047 -2.934 9.885 1.00 95.26 4 A 1 ATOM 22 C CB . CYS A 1 4 ? -6.372 -3.880 12.791 1.00 91.78 4 A 1 ATOM 23 S SG . CYS A 1 4 ? -5.189 -3.115 13.923 1.00 84.47 4 A 1 ATOM 24 N N . ASN A 1 5 ? -6.635 -4.519 9.765 1.00 94.99 5 A 1 ATOM 25 C CA . ASN A 1 5 ? -6.081 -5.098 8.541 1.00 96.27 5 A 1 ATOM 26 C C . ASN A 1 5 ? -6.185 -4.119 7.371 1.00 97.07 5 A 1 ATOM 27 O O . ASN A 1 5 ? -5.384 -4.169 6.441 1.00 96.65 5 A 1 ATOM 28 C CB . ASN A 1 5 ? -6.802 -6.410 8.217 1.00 94.87 5 A 1 ATOM 29 C CG . ASN A 1 5 ? -8.284 -6.200 7.978 1.00 89.63 5 A 1 ATOM 30 O OD1 . ASN A 1 5 ? -8.692 -5.330 7.231 1.00 84.52 5 A 1 ATOM 31 N ND2 . ASN A 1 5 ? -9.109 -7.021 8.595 1.00 82.81 5 A 1 ATOM 32 N N . ILE A 1 6 ? -7.164 -3.246 7.424 1.00 96.92 6 A 1 ATOM 33 C CA . ILE A 1 6 ? -7.353 -2.248 6.370 1.00 97.02 6 A 1 ATOM 34 C C . ILE A 1 6 ? -6.184 -1.273 6.354 1.00 97.23 6 A 1 ATOM 35 O O . ILE A 1 6 ? -5.691 -0.885 5.295 1.00 96.85 6 A 1 ATOM 36 C CB . ILE A 1 6 ? -8.668 -1.485 6.579 1.00 96.94 6 A 1 ATOM 37 C CG1 . ILE A 1 6 ? -9.854 -2.456 6.573 1.00 94.87 6 A 1 ATOM 38 C CG2 . ILE A 1 6 ? -8.847 -0.426 5.492 1.00 94.24 6 A 1 ATOM 39 C CD1 . ILE A 1 6 ? -9.981 -3.237 5.275 1.00 88.61 6 A 1 ATOM 40 N N . THR A 1 7 ? -5.750 -0.887 7.528 1.00 96.36 7 A 1 ATOM 41 C CA . THR A 1 7 ? -4.629 0.047 7.652 1.00 96.27 7 A 1 ATOM 42 C C . THR A 1 7 ? -3.367 -0.558 7.045 1.00 96.59 7 A 1 ATOM 43 O O . THR A 1 7 ? -2.629 0.107 6.320 1.00 95.87 7 A 1 ATOM 44 C CB . THR A 1 7 ? -4.365 0.383 9.120 1.00 95.67 7 A 1 ATOM 45 O OG1 . THR A 1 7 ? -5.561 0.864 9.723 1.00 90.95 7 A 1 ATOM 46 C CG2 . THR A 1 7 ? -3.291 1.454 9.240 1.00 89.10 7 A 1 ATOM 47 N N . VAL A 1 8 ? -3.132 -1.818 7.340 1.00 96.82 8 A 1 ATOM 48 C CA . VAL A 1 8 ? -1.959 -2.516 6.807 1.00 96.72 8 A 1 ATOM 49 C C . VAL A 1 8 ? -2.095 -2.696 5.302 1.00 96.92 8 A 1 ATOM 50 O O . VAL A 1 8 ? -1.120 -2.562 4.559 1.00 96.47 8 A 1 ATOM 51 C CB . VAL A 1 8 ? -1.793 -3.887 7.477 1.00 96.30 8 A 1 ATOM 52 C CG1 . VAL A 1 8 ? -0.576 -4.611 6.917 1.00 94.59 8 A 1 ATOM 53 C CG2 . VAL A 1 8 ? -1.659 -3.720 8.984 1.00 94.23 8 A 1 ATOM 54 N N . LEU A 1 9 ? -3.300 -3.000 4.865 1.00 95.85 9 A 1 ATOM 55 C CA . LEU A 1 9 ? -3.565 -3.206 3.442 1.00 95.47 9 A 1 ATOM 56 C C . LEU A 1 9 ? -3.268 -1.945 2.638 1.00 95.79 9 A 1 ATOM 57 O O . LEU A 1 9 ? -2.542 -1.993 1.644 1.00 95.88 9 A 1 ATOM 58 C CB . LEU A 1 9 ? -5.025 -3.618 3.250 1.00 95.33 9 A 1 ATOM 59 C CG . LEU A 1 9 ? -5.422 -3.848 1.796 1.00 92.73 9 A 1 ATOM 60 C CD1 . LEU A 1 9 ? -4.619 -4.997 1.197 1.00 91.11 9 A 1 ATOM 61 C CD2 . LEU A 1 9 ? -6.912 -4.145 1.703 1.00 91.55 9 A 1 ATOM 62 N N . LEU A 1 10 ? -3.828 -0.827 3.062 1.00 95.33 10 A 1 ATOM 63 C CA . LEU A 1 10 ? -3.617 0.436 2.350 1.00 94.89 10 A 1 ATOM 64 C C . LEU A 1 10 ? -2.146 0.845 2.411 1.00 95.28 10 A 1 ATOM 65 O O . LEU A 1 10 ? -1.617 1.446 1.474 1.00 95.17 10 A 1 ATOM 66 C CB . LEU A 1 10 ? -4.513 1.521 2.960 1.00 94.60 10 A 1 ATOM 67 C CG . LEU A 1 10 ? -4.067 2.027 4.327 1.00 90.67 10 A 1 ATOM 68 C CD1 . LEU A 1 10 ? -3.139 3.235 4.175 1.00 89.66 10 A 1 ATOM 69 C CD2 . LEU A 1 10 ? -5.285 2.437 5.147 1.00 90.42 10 A 1 ATOM 70 N N . LEU A 1 11 ? -1.492 0.511 3.499 1.00 95.00 11 A 1 ATOM 71 C CA . LEU A 1 11 ? -0.072 0.829 3.665 1.00 94.73 11 A 1 ATOM 72 C C . LEU A 1 11 ? 0.770 0.051 2.661 1.00 95.50 11 A 1 ATOM 73 O O . LEU A 1 11 ? 1.648 0.610 2.004 1.00 95.31 11 A 1 ATOM 74 C CB . LEU A 1 11 ? 0.370 0.482 5.088 1.00 94.50 11 A 1 ATOM 75 C CG . LEU A 1 11 ? 1.841 0.784 5.368 1.00 90.99 11 A 1 ATOM 76 C CD1 . LEU A 1 11 ? 2.101 2.290 5.320 1.00 89.49 11 A 1 ATOM 77 C CD2 . LEU A 1 11 ? 2.233 0.236 6.733 1.00 89.97 11 A 1 ATOM 78 N N . VAL A 1 12 ? 0.495 -1.241 2.553 1.00 95.37 12 A 1 ATOM 79 C CA . VAL A 1 12 ? 1.230 -2.098 1.617 1.00 95.25 12 A 1 ATOM 80 C C . VAL A 1 12 ? 0.960 -1.674 0.177 1.00 95.57 12 A 1 ATOM 81 O O . VAL A 1 12 ? 1.873 -1.648 -0.651 1.00 95.25 12 A 1 ATOM 82 C CB . VAL A 1 12 ? 0.827 -3.568 1.807 1.00 94.93 12 A 1 ATOM 83 C CG1 . VAL A 1 12 ? 1.516 -4.453 0.776 1.00 94.28 12 A 1 ATOM 84 C CG2 . VAL A 1 12 ? 1.192 -4.035 3.210 1.00 94.03 12 A 1 ATOM 85 N N . ILE A 1 13 ? -0.277 -1.350 -0.115 1.00 95.15 13 A 1 ATOM 86 C CA . ILE A 1 13 ? -0.652 -0.924 -1.463 1.00 94.72 13 A 1 ATOM 87 C C . ILE A 1 13 ? 0.110 0.339 -1.858 1.00 94.82 13 A 1 ATOM 88 O O . ILE A 1 13 ? 0.669 0.424 -2.951 1.00 94.28 13 A 1 ATOM 89 C CB . ILE A 1 13 ? -2.167 -0.668 -1.543 1.00 94.63 13 A 1 ATOM 90 C CG1 . ILE A 1 13 ? -2.926 -1.989 -1.392 1.00 94.09 13 A 1 ATOM 91 C CG2 . ILE A 1 13 ? -2.524 -0.015 -2.882 1.00 93.73 13 A 1 ATOM 92 C CD1 . ILE A 1 13 ? -4.415 -1.792 -1.180 1.00 91.70 13 A 1 ATOM 93 N N . MET A 1 14 ? 0.121 1.301 -0.973 1.00 95.17 14 A 1 ATOM 94 C CA . MET A 1 14 ? 0.828 2.559 -1.239 1.00 94.45 14 A 1 ATOM 95 C C . MET A 1 14 ? 2.335 2.325 -1.328 1.00 94.84 14 A 1 ATOM 96 O O . MET A 1 14 ? 3.036 3.009 -2.068 1.00 93.52 14 A 1 ATOM 97 C CB . MET A 1 14 ? 0.533 3.568 -0.127 1.00 93.81 14 A 1 ATOM 98 C CG . MET A 1 14 ? -0.861 4.157 -0.221 1.00 91.67 14 A 1 ATOM 99 S SD . MET A 1 14 ? -1.155 5.411 1.038 1.00 83.57 14 A 1 ATOM 100 C CE . MET A 1 14 ? -1.489 6.827 0.002 1.00 76.84 14 A 1 ATOM 101 N N . LEU A 1 15 ? 2.818 1.371 -0.569 1.00 95.55 15 A 1 ATOM 102 C CA . LEU A 1 15 ? 4.245 1.047 -0.551 1.00 95.16 15 A 1 ATOM 103 C C . LEU A 1 15 ? 4.653 0.261 -1.793 1.00 95.57 15 A 1 ATOM 104 O O . LEU A 1 15 ? 5.652 0.579 -2.438 1.00 94.54 15 A 1 ATOM 105 C CB . LEU A 1 15 ? 4.566 0.233 0.704 1.00 94.69 15 A 1 ATOM 106 C CG . LEU A 1 15 ? 6.063 0.065 0.957 1.00 92.16 15 A 1 ATOM 107 C CD1 . LEU A 1 15 ? 6.662 1.358 1.496 1.00 88.55 15 A 1 ATOM 108 C CD2 . LEU A 1 15 ? 6.297 -1.067 1.955 1.00 88.94 15 A 1 ATOM 109 N N . TRP A 1 16 ? 3.871 -0.775 -2.116 1.00 95.32 16 A 1 ATOM 110 C CA . TRP A 1 16 ? 4.171 -1.615 -3.275 1.00 95.12 16 A 1 ATOM 111 C C . TRP A 1 16 ? 3.980 -0.866 -4.585 1.00 95.60 16 A 1 ATOM 112 O O . TRP A 1 16 ? 4.628 -1.176 -5.578 1.00 94.09 16 A 1 ATOM 113 C CB . TRP A 1 16 ? 3.287 -2.864 -3.243 1.00 94.34 16 A 1 ATOM 114 C CG . TRP A 1 16 ? 3.909 -3.946 -2.423 1.00 91.20 16 A 1 ATOM 115 C CD1 . TRP A 1 16 ? 3.695 -4.200 -1.114 1.00 85.52 16 A 1 ATOM 116 C CD2 . TRP A 1 16 ? 4.878 -4.910 -2.870 1.00 88.43 16 A 1 ATOM 117 N NE1 . TRP A 1 16 ? 4.466 -5.262 -0.716 1.00 85.13 16 A 1 ATOM 118 C CE2 . TRP A 1 16 ? 5.202 -5.723 -1.765 1.00 88.52 16 A 1 ATOM 119 C CE3 . TRP A 1 16 ? 5.498 -5.158 -4.103 1.00 84.37 16 A 1 ATOM 120 C CZ2 . TRP A 1 16 ? 6.120 -6.770 -1.867 1.00 85.24 16 A 1 ATOM 121 C CZ3 . TRP A 1 16 ? 6.410 -6.200 -4.201 1.00 80.54 16 A 1 ATOM 122 C CH2 . TRP A 1 16 ? 6.716 -6.996 -3.092 1.00 81.35 16 A 1 ATOM 123 N N . LEU A 1 17 ? 3.116 0.123 -4.578 1.00 95.47 17 A 1 ATOM 124 C CA . LEU A 1 17 ? 2.902 0.934 -5.770 1.00 94.72 17 A 1 ATOM 125 C C . LEU A 1 17 ? 4.253 1.486 -6.231 1.00 94.60 17 A 1 ATOM 126 O O . LEU A 1 17 ? 5.200 1.529 -5.449 1.00 93.23 17 A 1 ATOM 127 C CB . LEU A 1 17 ? 1.938 2.078 -5.456 1.00 93.58 17 A 1 ATOM 128 C CG . LEU A 1 17 ? 0.684 2.075 -6.333 1.00 89.06 17 A 1 ATOM 129 C CD1 . LEU A 1 17 ? -0.213 0.897 -5.977 1.00 83.93 17 A 1 ATOM 130 C CD2 . LEU A 1 17 ? -0.082 3.376 -6.167 1.00 82.96 17 A 1 ATOM 131 N N . PRO A 1 18 ? 4.368 1.918 -7.480 1.00 94.66 18 A 1 ATOM 132 C CA . PRO A 1 18 ? 5.644 2.440 -8.012 1.00 93.33 18 A 1 ATOM 133 C C . PRO A 1 18 ? 6.286 3.484 -7.094 1.00 93.03 18 A 1 ATOM 134 O O . PRO A 1 18 ? 7.001 4.368 -7.553 1.00 89.28 18 A 1 ATOM 135 C CB . PRO A 1 18 ? 5.245 3.077 -9.354 1.00 90.70 18 A 1 ATOM 136 C CG . PRO A 1 18 ? 3.950 2.459 -9.730 1.00 89.35 18 A 1 ATOM 137 C CD . PRO A 1 18 ? 3.294 1.967 -8.464 1.00 92.80 18 A 1 ATOM 138 N N . HIS A 1 19 ? 6.002 3.372 -5.836 1.00 92.15 19 A 1 ATOM 139 C CA . HIS A 1 19 ? 6.482 4.296 -4.800 1.00 90.81 19 A 1 ATOM 140 C C . HIS A 1 19 ? 6.855 5.665 -5.360 1.00 90.66 19 A 1 ATOM 141 O O . HIS A 1 19 ? 7.836 6.284 -4.960 1.00 85.02 19 A 1 ATOM 142 C CB . HIS A 1 19 ? 7.658 3.678 -4.037 1.00 87.72 19 A 1 ATOM 143 C CG . HIS A 1 19 ? 8.946 3.699 -4.803 1.00 83.62 19 A 1 ATOM 144 N ND1 . HIS A 1 19 ? 9.881 4.688 -4.654 1.00 73.29 19 A 1 ATOM 145 C CD2 . HIS A 1 19 ? 9.446 2.833 -5.711 1.00 71.48 19 A 1 ATOM 146 C CE1 . HIS A 1 19 ? 10.914 4.419 -5.458 1.00 72.77 19 A 1 ATOM 147 N NE2 . HIS A 1 19 ? 10.680 3.299 -6.118 1.00 74.16 19 A 1 ATOM 148 N N . GLY A 1 20 ? 6.058 6.140 -6.282 1.00 87.32 20 A 1 ATOM 149 C CA . GLY A 1 20 ? 6.311 7.463 -6.869 1.00 84.79 20 A 1 ATOM 150 C C . GLY A 1 20 ? 5.865 8.544 -5.906 1.00 84.24 20 A 1 ATOM 151 O O . GLY A 1 20 ? 6.132 9.724 -6.111 1.00 80.62 20 A 1 ATOM 152 N N . LEU A 1 21 ? 5.166 8.126 -4.860 1.00 87.24 21 A 1 ATOM 153 C CA . LEU A 1 21 ? 4.673 9.060 -3.843 1.00 84.58 21 A 1 ATOM 154 C C . LEU A 1 21 ? 5.714 9.293 -2.752 1.00 84.22 21 A 1 ATOM 155 O O . LEU A 1 21 ? 5.591 10.227 -1.963 1.00 80.65 21 A 1 ATOM 156 C CB . LEU A 1 21 ? 3.386 8.502 -3.227 1.00 81.13 21 A 1 ATOM 157 C CG . LEU A 1 21 ? 2.662 9.479 -2.319 1.00 75.42 21 A 1 ATOM 158 C CD1 . LEU A 1 21 ? 1.231 9.679 -2.798 1.00 69.83 21 A 1 ATOM 159 C CD2 . LEU A 1 21 ? 2.661 8.952 -0.886 1.00 66.82 21 A 1 ATOM 160 N N . SER A 1 22 ? 6.727 8.441 -2.706 1.00 85.44 22 A 1 ATOM 161 C CA . SER A 1 22 ? 7.779 8.547 -1.684 1.00 82.86 22 A 1 ATOM 162 C C . SER A 1 22 ? 8.586 9.833 -1.833 1.00 76.89 22 A 1 ATOM 163 O O . SER A 1 22 ? 9.806 9.771 -2.028 1.00 70.89 22 A 1 ATOM 164 C CB . SER A 1 22 ? 8.706 7.349 -1.744 1.00 75.50 22 A 1 ATOM 165 O OG . SER A 1 22 ? 9.668 7.445 -0.711 1.00 67.81 22 A 1 ATOM 166 O OXT . SER A 1 22 ? 7.968 10.920 -1.739 1.00 67.91 22 A 1 #