# 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_spkb23177 # _entry.id spkb23177 # 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" "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 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" "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 PRO 3 1 n ARG 4 1 n ALA 5 1 n LYS 6 1 n THR 7 1 n ILE 8 1 n CYS 9 1 n SER 10 1 n LEU 11 1 n PHE 12 1 n PHE 13 1 n LEU 14 1 n LEU 15 1 n TRP 16 1 n VAL 17 1 n LEU 18 1 n ALA 19 # _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 @ 2025-07-07 22:47:48)" _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 93.44 _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 77.04 1 1 A GLY 2 2 92.46 1 2 A PRO 3 2 93.07 1 3 A ARG 4 2 84.82 1 4 A ALA 5 2 96.43 1 5 A LYS 6 2 89.84 1 6 A THR 7 2 95.55 1 7 A ILE 8 2 95.78 1 8 A CYS 9 2 96.46 1 9 A SER 10 2 95.70 1 10 A LEU 11 2 95.14 1 11 A PHE 12 2 95.03 1 12 A PHE 13 2 95.43 1 13 A LEU 14 2 95.74 1 14 A LEU 15 2 95.89 1 15 A TRP 16 2 96.36 1 16 A VAL 17 2 97.15 1 17 A LEU 18 2 96.33 1 18 A ALA 19 2 94.15 1 19 # _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 PRO . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -14.731 1.771 8.919 1.00 84.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.434 1.184 8.543 1.00 84.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.288 1.890 9.262 1.00 86.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.428 3.044 9.672 1.00 79.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.227 1.277 7.035 1.00 79.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.288 0.500 6.260 1.00 73.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.217 -1.252 6.617 1.00 68.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.568 -1.851 5.629 1.00 59.92 1 A 1 ATOM 9 N N . GLY A 1 2 ? -11.162 1.228 9.415 1.00 91.18 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -10.029 1.818 10.117 1.00 92.56 2 A 1 ATOM 11 C C . GLY A 1 2 ? -9.099 2.587 9.199 1.00 93.97 2 A 1 ATOM 12 O O . GLY A 1 2 ? -8.596 2.033 8.227 1.00 92.11 2 A 1 ATOM 13 N N . PRO A 1 3 ? -8.833 3.848 9.505 1.00 93.77 3 A 1 ATOM 14 C CA . PRO A 1 3 ? -7.922 4.680 8.702 1.00 94.74 3 A 1 ATOM 15 C C . PRO A 1 3 ? -6.482 4.184 8.775 1.00 96.05 3 A 1 ATOM 16 O O . PRO A 1 3 ? -5.674 4.461 7.883 1.00 93.82 3 A 1 ATOM 17 C CB . PRO A 1 3 ? -8.063 6.080 9.317 1.00 91.90 3 A 1 ATOM 18 C CG . PRO A 1 3 ? -8.541 5.832 10.713 1.00 89.29 3 A 1 ATOM 19 C CD . PRO A 1 3 ? -9.394 4.587 10.635 1.00 91.91 3 A 1 ATOM 20 N N . ARG A 1 4 ? -6.162 3.447 9.841 1.00 94.63 4 A 1 ATOM 21 C CA . ARG A 1 4 ? -4.808 2.910 10.008 1.00 95.70 4 A 1 ATOM 22 C C . ARG A 1 4 ? -4.452 1.964 8.868 1.00 96.54 4 A 1 ATOM 23 O O . ARG A 1 4 ? -3.299 1.910 8.438 1.00 95.30 4 A 1 ATOM 24 C CB . ARG A 1 4 ? -4.693 2.170 11.344 1.00 93.83 4 A 1 ATOM 25 C CG . ARG A 1 4 ? -4.737 3.129 12.527 1.00 85.96 4 A 1 ATOM 26 C CD . ARG A 1 4 ? -4.521 2.377 13.829 1.00 83.02 4 A 1 ATOM 27 N NE . ARG A 1 4 ? -4.518 3.290 14.978 1.00 77.16 4 A 1 ATOM 28 C CZ . ARG A 1 4 ? -4.368 2.893 16.236 1.00 74.60 4 A 1 ATOM 29 N NH1 . ARG A 1 4 ? -4.220 1.615 16.530 1.00 69.61 4 A 1 ATOM 30 N NH2 . ARG A 1 4 ? -4.374 3.782 17.208 1.00 66.65 4 A 1 ATOM 31 N N . ALA A 1 5 ? -5.425 1.227 8.366 1.00 95.92 5 A 1 ATOM 32 C CA . ALA A 1 5 ? -5.195 0.319 7.246 1.00 96.68 5 A 1 ATOM 33 C C . ALA A 1 5 ? -4.733 1.099 6.017 1.00 97.17 5 A 1 ATOM 34 O O . ALA A 1 5 ? -3.878 0.638 5.259 1.00 96.49 5 A 1 ATOM 35 C CB . ALA A 1 5 ? -6.470 -0.457 6.939 1.00 95.88 5 A 1 ATOM 36 N N . LYS A 1 6 ? -5.293 2.290 5.840 1.00 96.63 6 A 1 ATOM 37 C CA . LYS A 1 6 ? -4.900 3.157 4.728 1.00 97.00 6 A 1 ATOM 38 C C . LYS A 1 6 ? -3.454 3.607 4.885 1.00 97.28 6 A 1 ATOM 39 O O . LYS A 1 6 ? -2.723 3.707 3.902 1.00 96.59 6 A 1 ATOM 40 C CB . LYS A 1 6 ? -5.826 4.369 4.655 1.00 96.37 6 A 1 ATOM 41 C CG . LYS A 1 6 ? -7.162 4.057 3.997 1.00 90.08 6 A 1 ATOM 42 C CD . LYS A 1 6 ? -6.986 3.821 2.505 1.00 85.73 6 A 1 ATOM 43 C CE . LYS A 1 6 ? -8.318 3.731 1.784 1.00 78.55 6 A 1 ATOM 44 N NZ . LYS A 1 6 ? -8.136 3.655 0.314 1.00 70.29 6 A 1 ATOM 45 N N . THR A 1 7 ? -3.035 3.862 6.115 1.00 97.07 7 A 1 ATOM 46 C CA . THR A 1 7 ? -1.662 4.289 6.384 1.00 97.53 7 A 1 ATOM 47 C C . THR A 1 7 ? -0.671 3.215 5.947 1.00 97.80 7 A 1 ATOM 48 O O . THR A 1 7 ? 0.320 3.508 5.273 1.00 97.38 7 A 1 ATOM 49 C CB . THR A 1 7 ? -1.472 4.582 7.873 1.00 97.34 7 A 1 ATOM 50 O OG1 . THR A 1 7 ? -2.458 5.520 8.308 1.00 91.90 7 A 1 ATOM 51 C CG2 . THR A 1 7 ? -0.092 5.165 8.132 1.00 89.83 7 A 1 ATOM 52 N N . ILE A 1 8 ? -0.942 1.969 6.328 1.00 97.49 8 A 1 ATOM 53 C CA . ILE A 1 8 ? -0.068 0.855 5.964 1.00 97.45 8 A 1 ATOM 54 C C . ILE A 1 8 ? -0.075 0.654 4.453 1.00 97.53 8 A 1 ATOM 55 O O . ILE A 1 8 ? 0.978 0.488 3.829 1.00 97.17 8 A 1 ATOM 56 C CB . ILE A 1 8 ? -0.509 -0.435 6.681 1.00 97.42 8 A 1 ATOM 57 C CG1 . ILE A 1 8 ? -0.409 -0.252 8.201 1.00 95.31 8 A 1 ATOM 58 C CG2 . ILE A 1 8 ? 0.353 -1.612 6.227 1.00 94.68 8 A 1 ATOM 59 C CD1 . ILE A 1 8 ? -1.057 -1.384 8.984 1.00 89.16 8 A 1 ATOM 60 N N . CYS A 1 9 ? -1.261 0.667 3.866 1.00 97.18 9 A 1 ATOM 61 C CA . CYS A 1 9 ? -1.395 0.487 2.421 1.00 97.36 9 A 1 ATOM 62 C C . CYS A 1 9 ? -0.673 1.601 1.664 1.00 97.45 9 A 1 ATOM 63 O O . CYS A 1 9 ? -0.015 1.353 0.652 1.00 97.07 9 A 1 ATOM 64 C CB . CYS A 1 9 ? -2.875 0.461 2.034 1.00 96.94 9 A 1 ATOM 65 S SG . CYS A 1 9 ? -3.097 0.072 0.287 1.00 92.76 9 A 1 ATOM 66 N N . SER A 1 10 ? -0.777 2.823 2.170 1.00 96.84 10 A 1 ATOM 67 C CA . SER A 1 10 ? -0.121 3.967 1.537 1.00 97.25 10 A 1 ATOM 68 C C . SER A 1 10 ? 1.397 3.812 1.571 1.00 97.72 10 A 1 ATOM 69 O O . SER A 1 10 ? 2.075 4.089 0.585 1.00 97.38 10 A 1 ATOM 70 C CB . SER A 1 10 ? -0.519 5.261 2.240 1.00 96.76 10 A 1 ATOM 71 O OG . SER A 1 10 ? -1.904 5.497 2.084 1.00 88.28 10 A 1 ATOM 72 N N . LEU A 1 11 ? 1.923 3.355 2.715 1.00 97.35 11 A 1 ATOM 73 C CA . LEU A 1 11 ? 3.363 3.149 2.844 1.00 97.60 11 A 1 ATOM 74 C C . LEU A 1 11 ? 3.843 2.091 1.861 1.00 97.91 11 A 1 ATOM 75 O O . LEU A 1 11 ? 4.891 2.253 1.229 1.00 97.63 11 A 1 ATOM 76 C CB . LEU A 1 11 ? 3.697 2.723 4.274 1.00 97.45 11 A 1 ATOM 77 C CG . LEU A 1 11 ? 3.544 3.844 5.302 1.00 93.39 11 A 1 ATOM 78 C CD1 . LEU A 1 11 ? 3.668 3.285 6.714 1.00 89.45 11 A 1 ATOM 79 C CD2 . LEU A 1 11 ? 4.603 4.921 5.079 1.00 90.32 11 A 1 ATOM 80 N N . PHE A 1 12 ? 3.078 1.009 1.740 1.00 97.68 12 A 1 ATOM 81 C CA . PHE A 1 12 ? 3.425 -0.059 0.804 1.00 97.60 12 A 1 ATOM 82 C C . PHE A 1 12 ? 3.442 0.468 -0.629 1.00 97.86 12 A 1 ATOM 83 O O . PHE A 1 12 ? 4.368 0.188 -1.393 1.00 97.57 12 A 1 ATOM 84 C CB . PHE A 1 12 ? 2.420 -1.198 0.934 1.00 97.28 12 A 1 ATOM 85 C CG . PHE A 1 12 ? 2.720 -2.335 -0.005 1.00 95.05 12 A 1 ATOM 86 C CD1 . PHE A 1 12 ? 2.103 -2.406 -1.247 1.00 92.88 12 A 1 ATOM 87 C CD2 . PHE A 1 12 ? 3.637 -3.312 0.355 1.00 93.35 12 A 1 ATOM 88 C CE1 . PHE A 1 12 ? 2.396 -3.448 -2.121 1.00 91.90 12 A 1 ATOM 89 C CE2 . PHE A 1 12 ? 3.927 -4.357 -0.519 1.00 92.05 12 A 1 ATOM 90 C CZ . PHE A 1 12 ? 3.309 -4.423 -1.757 1.00 92.07 12 A 1 ATOM 91 N N . PHE A 1 13 ? 2.422 1.233 -0.986 1.00 97.73 13 A 1 ATOM 92 C CA . PHE A 1 13 ? 2.337 1.807 -2.328 1.00 97.78 13 A 1 ATOM 93 C C . PHE A 1 13 ? 3.494 2.774 -2.576 1.00 98.07 13 A 1 ATOM 94 O O . PHE A 1 13 ? 4.103 2.764 -3.648 1.00 97.73 13 A 1 ATOM 95 C CB . PHE A 1 13 ? 1.006 2.533 -2.495 1.00 97.41 13 A 1 ATOM 96 C CG . PHE A 1 13 ? 0.774 2.989 -3.914 1.00 95.65 13 A 1 ATOM 97 C CD1 . PHE A 1 13 ? 1.161 4.258 -4.326 1.00 93.82 13 A 1 ATOM 98 C CD2 . PHE A 1 13 ? 0.183 2.131 -4.835 1.00 93.99 13 A 1 ATOM 99 C CE1 . PHE A 1 13 ? 0.958 4.670 -5.641 1.00 92.39 13 A 1 ATOM 100 C CE2 . PHE A 1 13 ? -0.022 2.542 -6.150 1.00 92.41 13 A 1 ATOM 101 C CZ . PHE A 1 13 ? 0.367 3.813 -6.552 1.00 92.72 13 A 1 ATOM 102 N N . LEU A 1 14 ? 3.805 3.596 -1.575 1.00 97.95 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 4.905 4.551 -1.700 1.00 97.92 14 A 1 ATOM 104 C C . LEU A 1 14 ? 6.237 3.832 -1.876 1.00 98.23 14 A 1 ATOM 105 O O . LEU A 1 14 ? 7.081 4.270 -2.661 1.00 97.84 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 4.957 5.443 -0.457 1.00 97.59 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 3.817 6.456 -0.379 1.00 93.44 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 3.799 7.126 0.988 1.00 91.21 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 3.970 7.513 -1.473 1.00 91.77 14 A 1 ATOM 110 N N . LEU A 1 15 ? 6.431 2.731 -1.148 1.00 98.16 15 A 1 ATOM 111 C CA . LEU A 1 15 ? 7.659 1.948 -1.270 1.00 98.17 15 A 1 ATOM 112 C C . LEU A 1 15 ? 7.811 1.417 -2.688 1.00 98.38 15 A 1 ATOM 113 O O . LEU A 1 15 ? 8.903 1.456 -3.258 1.00 98.07 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 7.638 0.788 -0.274 1.00 97.86 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 7.868 1.217 1.176 1.00 93.85 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 7.602 0.044 2.116 1.00 90.99 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? 9.304 1.709 1.364 1.00 91.64 15 A 1 ATOM 118 N N . TRP A 1 16 ? 6.723 0.917 -3.260 1.00 98.29 16 A 1 ATOM 119 C CA . TRP A 1 16 ? 6.738 0.405 -4.630 1.00 98.31 16 A 1 ATOM 120 C C . TRP A 1 16 ? 7.042 1.521 -5.625 1.00 98.44 16 A 1 ATOM 121 O O . TRP A 1 16 ? 7.777 1.317 -6.591 1.00 98.19 16 A 1 ATOM 122 C CB . TRP A 1 16 ? 5.397 -0.256 -4.955 1.00 98.17 16 A 1 ATOM 123 C CG . TRP A 1 16 ? 5.210 -0.540 -6.420 1.00 97.31 16 A 1 ATOM 124 C CD1 . TRP A 1 16 ? 4.139 -0.184 -7.172 1.00 95.19 16 A 1 ATOM 125 C CD2 . TRP A 1 16 ? 6.123 -1.211 -7.318 1.00 96.33 16 A 1 ATOM 126 N NE1 . TRP A 1 16 ? 4.324 -0.597 -8.478 1.00 94.98 16 A 1 ATOM 127 C CE2 . TRP A 1 16 ? 5.532 -1.223 -8.602 1.00 96.35 16 A 1 ATOM 128 C CE3 . TRP A 1 16 ? 7.386 -1.798 -7.159 1.00 95.84 16 A 1 ATOM 129 C CZ2 . TRP A 1 16 ? 6.170 -1.807 -9.713 1.00 95.25 16 A 1 ATOM 130 C CZ3 . TRP A 1 16 ? 8.019 -2.379 -8.268 1.00 93.32 16 A 1 ATOM 131 C CH2 . TRP A 1 16 ? 7.408 -2.377 -9.525 1.00 93.01 16 A 1 ATOM 132 N N . VAL A 1 17 ? 6.484 2.696 -5.389 1.00 98.51 17 A 1 ATOM 133 C CA . VAL A 1 17 ? 6.715 3.833 -6.283 1.00 98.40 17 A 1 ATOM 134 C C . VAL A 1 17 ? 8.161 4.321 -6.186 1.00 98.42 17 A 1 ATOM 135 O O . VAL A 1 17 ? 8.777 4.678 -7.194 1.00 97.85 17 A 1 ATOM 136 C CB . VAL A 1 17 ? 5.750 4.985 -5.955 1.00 97.85 17 A 1 ATOM 137 C CG1 . VAL A 1 17 ? 6.089 6.235 -6.761 1.00 94.34 17 A 1 ATOM 138 C CG2 . VAL A 1 17 ? 4.320 4.568 -6.255 1.00 94.69 17 A 1 ATOM 139 N N . LEU A 1 18 ? 8.699 4.339 -4.962 1.00 98.06 18 A 1 ATOM 140 C CA . LEU A 1 18 ? 10.068 4.801 -4.744 1.00 97.98 18 A 1 ATOM 141 C C . LEU A 1 18 ? 11.087 3.800 -5.273 1.00 98.12 18 A 1 ATOM 142 O O . LEU A 1 18 ? 12.118 4.192 -5.830 1.00 97.41 18 A 1 ATOM 143 C CB . LEU A 1 18 ? 10.297 5.031 -3.245 1.00 97.48 18 A 1 ATOM 144 C CG . LEU A 1 18 ? 9.504 6.208 -2.670 1.00 96.21 18 A 1 ATOM 145 C CD1 . LEU A 1 18 ? 9.608 6.223 -1.146 1.00 92.86 18 A 1 ATOM 146 C CD2 . LEU A 1 18 ? 10.030 7.524 -3.232 1.00 92.54 18 A 1 ATOM 147 N N . ALA A 1 19 ? 10.816 2.521 -5.083 1.00 97.39 19 A 1 ATOM 148 C CA . ALA A 1 19 ? 11.717 1.457 -5.523 1.00 96.89 19 A 1 ATOM 149 C C . ALA A 1 19 ? 11.532 1.177 -7.006 1.00 95.95 19 A 1 ATOM 150 O O . ALA A 1 19 ? 12.540 1.004 -7.719 1.00 93.69 19 A 1 ATOM 151 C CB . ALA A 1 19 ? 11.472 0.195 -4.697 1.00 94.92 19 A 1 ATOM 152 O OXT . ALA A 1 19 ? 10.381 1.140 -7.454 1.00 86.05 19 A 1 #