# 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_spkb27514 # _entry.id spkb27514 # 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" "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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 MET 2 1 n THR 3 1 n ALA 4 1 n VAL 5 1 n LYS 6 1 n GLN 7 1 n SER 8 1 n GLY 9 1 n VAL 10 1 n TRP 11 1 n ALA 12 1 n VAL 13 1 n LEU 14 1 n LEU 15 1 n TRP 16 1 n PRO 17 1 n TYR 18 1 n LEU 19 1 n LEU 20 1 n ALA 21 1 n VAL 22 1 n SER 23 # _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 @ 2025-07-12 02:26:16)" _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 90.71 _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 81.41 1 1 A MET 2 2 81.65 1 2 A THR 3 2 87.16 1 3 A ALA 4 2 92.20 1 4 A VAL 5 2 88.80 1 5 A LYS 6 2 84.66 1 6 A GLN 7 2 83.89 1 7 A SER 8 2 89.83 1 8 A GLY 9 2 93.75 1 9 A VAL 10 2 93.38 1 10 A TRP 11 2 89.30 1 11 A ALA 12 2 94.71 1 12 A VAL 13 2 95.25 1 13 A LEU 14 2 93.99 1 14 A LEU 15 2 93.25 1 15 A TRP 16 2 91.59 1 16 A PRO 17 2 95.88 1 17 A TYR 18 2 92.94 1 18 A LEU 19 2 94.45 1 19 A LEU 20 2 94.40 1 20 A ALA 21 2 96.88 1 21 A VAL 22 2 95.06 1 22 A SER 23 2 89.85 1 23 # _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 MET . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 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 PRO . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n SER . 23 A 23 # _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 ? 9.648 11.046 16.885 1.00 88.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? 9.799 10.025 15.828 1.00 89.69 1 A 1 ATOM 3 C C . MET A 1 1 ? 8.453 9.764 15.153 1.00 90.12 1 A 1 ATOM 4 O O . MET A 1 1 ? 7.669 8.955 15.627 1.00 86.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? 10.328 8.723 16.431 1.00 83.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.736 8.884 16.984 1.00 76.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? 12.305 7.399 17.811 1.00 72.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? 13.933 7.918 18.323 1.00 64.36 1 A 1 ATOM 9 N N . MET A 1 2 ? 8.176 10.464 14.062 1.00 89.81 2 A 1 ATOM 10 C CA . MET A 1 2 ? 6.904 10.333 13.345 1.00 89.92 2 A 1 ATOM 11 C C . MET A 1 2 ? 7.106 9.826 11.917 1.00 91.09 2 A 1 ATOM 12 O O . MET A 1 2 ? 6.143 9.547 11.219 1.00 87.01 2 A 1 ATOM 13 C CB . MET A 1 2 ? 6.194 11.685 13.320 1.00 85.10 2 A 1 ATOM 14 C CG . MET A 1 2 ? 5.768 12.149 14.699 1.00 77.66 2 A 1 ATOM 15 S SD . MET A 1 2 ? 4.911 13.734 14.664 1.00 70.63 2 A 1 ATOM 16 C CE . MET A 1 2 ? 6.291 14.857 14.795 1.00 62.01 2 A 1 ATOM 17 N N . THR A 1 3 ? 8.347 9.702 11.486 1.00 90.39 3 A 1 ATOM 18 C CA . THR A 1 3 ? 8.668 9.269 10.125 1.00 91.91 3 A 1 ATOM 19 C C . THR A 1 3 ? 8.219 7.836 9.861 1.00 93.01 3 A 1 ATOM 20 O O . THR A 1 3 ? 7.641 7.547 8.819 1.00 91.25 3 A 1 ATOM 21 C CB . THR A 1 3 ? 10.174 9.378 9.863 1.00 89.25 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? 10.676 10.588 10.405 1.00 78.03 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? 10.470 9.351 8.377 1.00 76.29 3 A 1 ATOM 24 N N . ALA A 1 4 ? 8.476 6.938 10.796 1.00 92.00 4 A 1 ATOM 25 C CA . ALA A 1 4 ? 8.118 5.530 10.645 1.00 92.75 4 A 1 ATOM 26 C C . ALA A 1 4 ? 6.604 5.329 10.613 1.00 93.59 4 A 1 ATOM 27 O O . ALA A 1 4 ? 6.091 4.564 9.797 1.00 92.13 4 A 1 ATOM 28 C CB . ALA A 1 4 ? 8.741 4.719 11.774 1.00 90.55 4 A 1 ATOM 29 N N . VAL A 1 5 ? 5.885 6.019 11.489 1.00 91.44 5 A 1 ATOM 30 C CA . VAL A 1 5 ? 4.429 5.898 11.580 1.00 91.54 5 A 1 ATOM 31 C C . VAL A 1 5 ? 3.749 6.487 10.349 1.00 92.37 5 A 1 ATOM 32 O O . VAL A 1 5 ? 2.865 5.862 9.765 1.00 90.56 5 A 1 ATOM 33 C CB . VAL A 1 5 ? 3.899 6.579 12.851 1.00 89.06 5 A 1 ATOM 34 C CG1 . VAL A 1 5 ? 2.398 6.381 12.978 1.00 82.08 5 A 1 ATOM 35 C CG2 . VAL A 1 5 ? 4.596 6.028 14.084 1.00 84.52 5 A 1 ATOM 36 N N . LYS A 1 6 ? 4.151 7.681 9.954 1.00 92.63 6 A 1 ATOM 37 C CA . LYS A 1 6 ? 3.564 8.350 8.790 1.00 93.19 6 A 1 ATOM 38 C C . LYS A 1 6 ? 3.919 7.628 7.494 1.00 92.56 6 A 1 ATOM 39 O O . LYS A 1 6 ? 3.082 7.508 6.605 1.00 91.61 6 A 1 ATOM 40 C CB . LYS A 1 6 ? 4.019 9.818 8.737 1.00 92.35 6 A 1 ATOM 41 C CG . LYS A 1 6 ? 5.518 10.009 8.592 1.00 83.28 6 A 1 ATOM 42 C CD . LYS A 1 6 ? 5.855 10.724 7.287 1.00 80.26 6 A 1 ATOM 43 C CE . LYS A 1 6 ? 5.742 12.226 7.424 1.00 71.12 6 A 1 ATOM 44 N NZ . LYS A 1 6 ? 5.988 12.906 6.134 1.00 64.90 6 A 1 ATOM 45 N N . GLN A 1 7 ? 5.141 7.129 7.382 1.00 92.78 7 A 1 ATOM 46 C CA . GLN A 1 7 ? 5.591 6.416 6.191 1.00 92.38 7 A 1 ATOM 47 C C . GLN A 1 7 ? 4.878 5.076 6.054 1.00 92.32 7 A 1 ATOM 48 O O . GLN A 1 7 ? 4.461 4.700 4.959 1.00 90.20 7 A 1 ATOM 49 C CB . GLN A 1 7 ? 7.105 6.204 6.238 1.00 90.67 7 A 1 ATOM 50 C CG . GLN A 1 7 ? 7.807 6.891 5.081 1.00 82.02 7 A 1 ATOM 51 C CD . GLN A 1 7 ? 9.279 6.539 4.995 1.00 76.37 7 A 1 ATOM 52 O OE1 . GLN A 1 7 ? 9.920 6.189 5.977 1.00 70.74 7 A 1 ATOM 53 N NE2 . GLN A 1 7 ? 9.845 6.612 3.804 1.00 67.51 7 A 1 ATOM 54 N N . SER A 1 8 ? 4.718 4.359 7.150 1.00 92.97 8 A 1 ATOM 55 C CA . SER A 1 8 ? 4.040 3.066 7.154 1.00 92.66 8 A 1 ATOM 56 C C . SER A 1 8 ? 2.583 3.212 6.724 1.00 93.86 8 A 1 ATOM 57 O O . SER A 1 8 ? 2.075 2.416 5.937 1.00 91.73 8 A 1 ATOM 58 C CB . SER A 1 8 ? 4.113 2.440 8.542 1.00 90.40 8 A 1 ATOM 59 O OG . SER A 1 8 ? 4.512 1.093 8.458 1.00 77.39 8 A 1 ATOM 60 N N . GLY A 1 9 ? 1.916 4.237 7.229 1.00 92.48 9 A 1 ATOM 61 C CA . GLY A 1 9 ? 0.519 4.489 6.883 1.00 93.44 9 A 1 ATOM 62 C C . GLY A 1 9 ? 0.345 4.930 5.442 1.00 95.14 9 A 1 ATOM 63 O O . GLY A 1 9 ? -0.501 4.406 4.726 1.00 93.94 9 A 1 ATOM 64 N N . VAL A 1 10 ? 1.152 5.881 5.000 1.00 94.36 10 A 1 ATOM 65 C CA . VAL A 1 10 ? 1.085 6.403 3.628 1.00 95.14 10 A 1 ATOM 66 C C . VAL A 1 10 ? 1.386 5.309 2.608 1.00 95.94 10 A 1 ATOM 67 O O . VAL A 1 10 ? 0.694 5.181 1.598 1.00 94.99 10 A 1 ATOM 68 C CB . VAL A 1 10 ? 2.060 7.578 3.441 1.00 93.94 10 A 1 ATOM 69 C CG1 . VAL A 1 10 ? 2.090 8.039 1.991 1.00 89.88 10 A 1 ATOM 70 C CG2 . VAL A 1 10 ? 1.666 8.741 4.337 1.00 89.38 10 A 1 ATOM 71 N N . TRP A 1 11 ? 2.415 4.507 2.871 1.00 94.49 11 A 1 ATOM 72 C CA . TRP A 1 11 ? 2.792 3.427 1.966 1.00 93.92 11 A 1 ATOM 73 C C . TRP A 1 11 ? 1.712 2.357 1.913 1.00 94.89 11 A 1 ATOM 74 O O . TRP A 1 11 ? 1.393 1.843 0.846 1.00 94.22 11 A 1 ATOM 75 C CB . TRP A 1 11 ? 4.121 2.820 2.400 1.00 92.87 11 A 1 ATOM 76 C CG . TRP A 1 11 ? 5.215 3.102 1.425 1.00 91.31 11 A 1 ATOM 77 C CD1 . TRP A 1 11 ? 5.928 4.252 1.319 1.00 87.02 11 A 1 ATOM 78 C CD2 . TRP A 1 11 ? 5.710 2.227 0.392 1.00 88.97 11 A 1 ATOM 79 N NE1 . TRP A 1 11 ? 6.835 4.147 0.284 1.00 85.49 11 A 1 ATOM 80 C CE2 . TRP A 1 11 ? 6.732 2.910 -0.306 1.00 88.03 11 A 1 ATOM 81 C CE3 . TRP A 1 11 ? 5.392 0.925 -0.007 1.00 84.87 11 A 1 ATOM 82 C CZ2 . TRP A 1 11 ? 7.425 2.334 -1.371 1.00 86.81 11 A 1 ATOM 83 C CZ3 . TRP A 1 11 ? 6.083 0.348 -1.070 1.00 83.54 11 A 1 ATOM 84 C CH2 . TRP A 1 11 ? 7.092 1.049 -1.745 1.00 83.84 11 A 1 ATOM 85 N N . ALA A 1 12 ? 1.120 2.031 3.047 1.00 94.87 12 A 1 ATOM 86 C CA . ALA A 1 12 ? 0.051 1.039 3.113 1.00 94.78 12 A 1 ATOM 87 C C . ALA A 1 12 ? -1.182 1.508 2.344 1.00 95.90 12 A 1 ATOM 88 O O . ALA A 1 12 ? -1.800 0.728 1.622 1.00 94.60 12 A 1 ATOM 89 C CB . ALA A 1 12 ? -0.305 0.763 4.568 1.00 93.42 12 A 1 ATOM 90 N N . VAL A 1 13 ? -1.535 2.774 2.475 1.00 96.13 13 A 1 ATOM 91 C CA . VAL A 1 13 ? -2.687 3.351 1.780 1.00 96.20 13 A 1 ATOM 92 C C . VAL A 1 13 ? -2.454 3.369 0.272 1.00 96.78 13 A 1 ATOM 93 O O . VAL A 1 13 ? -3.393 3.212 -0.509 1.00 95.97 13 A 1 ATOM 94 C CB . VAL A 1 13 ? -2.971 4.774 2.286 1.00 95.56 13 A 1 ATOM 95 C CG1 . VAL A 1 13 ? -4.076 5.442 1.471 1.00 93.44 13 A 1 ATOM 96 C CG2 . VAL A 1 13 ? -3.374 4.747 3.751 1.00 92.68 13 A 1 ATOM 97 N N . LEU A 1 14 ? -1.216 3.552 -0.136 1.00 96.30 14 A 1 ATOM 98 C CA . LEU A 1 14 ? -0.856 3.577 -1.551 1.00 96.02 14 A 1 ATOM 99 C C . LEU A 1 14 ? -0.844 2.168 -2.138 1.00 96.46 14 A 1 ATOM 100 O O . LEU A 1 14 ? -1.250 1.960 -3.283 1.00 95.91 14 A 1 ATOM 101 C CB . LEU A 1 14 ? 0.519 4.229 -1.721 1.00 95.68 14 A 1 ATOM 102 C CG . LEU A 1 14 ? 0.710 4.891 -3.082 1.00 92.62 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? 0.202 6.330 -3.047 1.00 89.39 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? 2.169 4.868 -3.490 1.00 89.54 14 A 1 ATOM 105 N N . LEU A 1 15 ? -0.394 1.204 -1.359 1.00 96.14 15 A 1 ATOM 106 C CA . LEU A 1 15 ? -0.313 -0.187 -1.793 1.00 95.92 15 A 1 ATOM 107 C C . LEU A 1 15 ? -1.686 -0.847 -1.855 1.00 96.64 15 A 1 ATOM 108 O O . LEU A 1 15 ? -1.934 -1.688 -2.718 1.00 96.30 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 0.590 -0.978 -0.844 1.00 95.23 15 A 1 ATOM 110 C CG . LEU A 1 15 ? 1.685 -1.770 -1.561 1.00 90.10 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? 2.933 -0.921 -1.750 1.00 87.84 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 2.024 -3.028 -0.777 1.00 87.84 15 A 1 ATOM 113 N N . TRP A 1 16 ? -2.578 -0.459 -0.951 1.00 95.87 16 A 1 ATOM 114 C CA . TRP A 1 16 ? -3.922 -1.033 -0.882 1.00 95.83 16 A 1 ATOM 115 C C . TRP A 1 16 ? -4.679 -0.906 -2.209 1.00 96.68 16 A 1 ATOM 116 O O . TRP A 1 16 ? -5.093 -1.926 -2.770 1.00 96.39 16 A 1 ATOM 117 C CB . TRP A 1 16 ? -4.699 -0.402 0.279 1.00 95.24 16 A 1 ATOM 118 C CG . TRP A 1 16 ? -6.061 -0.994 0.467 1.00 93.33 16 A 1 ATOM 119 C CD1 . TRP A 1 16 ? -7.221 -0.302 0.667 1.00 89.24 16 A 1 ATOM 120 C CD2 . TRP A 1 16 ? -6.428 -2.382 0.472 1.00 91.55 16 A 1 ATOM 121 N NE1 . TRP A 1 16 ? -8.274 -1.174 0.797 1.00 88.26 16 A 1 ATOM 122 C CE2 . TRP A 1 16 ? -7.825 -2.462 0.677 1.00 90.46 16 A 1 ATOM 123 C CE3 . TRP A 1 16 ? -5.713 -3.579 0.317 1.00 88.85 16 A 1 ATOM 124 C CZ2 . TRP A 1 16 ? -8.504 -3.687 0.728 1.00 89.43 16 A 1 ATOM 125 C CZ3 . TRP A 1 16 ? -6.383 -4.794 0.368 1.00 85.63 16 A 1 ATOM 126 C CH2 . TRP A 1 16 ? -7.769 -4.840 0.574 1.00 85.47 16 A 1 ATOM 127 N N . PRO A 1 17 ? -4.859 0.303 -2.738 1.00 96.57 17 A 1 ATOM 128 C CA . PRO A 1 17 ? -5.556 0.467 -4.019 1.00 96.18 17 A 1 ATOM 129 C C . PRO A 1 17 ? -4.755 -0.099 -5.184 1.00 96.80 17 A 1 ATOM 130 O O . PRO A 1 17 ? -5.327 -0.543 -6.179 1.00 96.08 17 A 1 ATOM 131 C CB . PRO A 1 17 ? -5.717 1.985 -4.150 1.00 94.94 17 A 1 ATOM 132 C CG . PRO A 1 17 ? -4.623 2.556 -3.307 1.00 94.45 17 A 1 ATOM 133 C CD . PRO A 1 17 ? -4.467 1.589 -2.163 1.00 96.16 17 A 1 ATOM 134 N N . TYR A 1 18 ? -3.439 -0.104 -5.065 1.00 96.18 18 A 1 ATOM 135 C CA . TYR A 1 18 ? -2.558 -0.636 -6.105 1.00 96.04 18 A 1 ATOM 136 C C . TYR A 1 18 ? -2.766 -2.140 -6.276 1.00 96.53 18 A 1 ATOM 137 O O . TYR A 1 18 ? -2.996 -2.614 -7.388 1.00 95.84 18 A 1 ATOM 138 C CB . TYR A 1 18 ? -1.103 -0.339 -5.746 1.00 95.67 18 A 1 ATOM 139 C CG . TYR A 1 18 ? -0.135 -0.822 -6.799 1.00 93.72 18 A 1 ATOM 140 C CD1 . TYR A 1 18 ? 0.425 -2.096 -6.722 1.00 90.99 18 A 1 ATOM 141 C CD2 . TYR A 1 18 ? 0.206 0.002 -7.872 1.00 91.11 18 A 1 ATOM 142 C CE1 . TYR A 1 18 ? 1.309 -2.543 -7.699 1.00 89.63 18 A 1 ATOM 143 C CE2 . TYR A 1 18 ? 1.088 -0.443 -8.851 1.00 90.05 18 A 1 ATOM 144 C CZ . TYR A 1 18 ? 1.635 -1.714 -8.758 1.00 90.41 18 A 1 ATOM 145 O OH . TYR A 1 18 ? 2.509 -2.159 -9.725 1.00 89.14 18 A 1 ATOM 146 N N . LEU A 1 19 ? -2.698 -2.885 -5.179 1.00 97.09 19 A 1 ATOM 147 C CA . LEU A 1 19 ? -2.890 -4.332 -5.239 1.00 96.77 19 A 1 ATOM 148 C C . LEU A 1 19 ? -4.332 -4.682 -5.600 1.00 97.04 19 A 1 ATOM 149 O O . LEU A 1 19 ? -4.590 -5.702 -6.240 1.00 96.82 19 A 1 ATOM 150 C CB . LEU A 1 19 ? -2.489 -4.962 -3.898 1.00 96.32 19 A 1 ATOM 151 C CG . LEU A 1 19 ? -3.389 -4.612 -2.713 1.00 92.47 19 A 1 ATOM 152 C CD1 . LEU A 1 19 ? -4.461 -5.682 -2.512 1.00 89.50 19 A 1 ATOM 153 C CD2 . LEU A 1 19 ? -2.558 -4.491 -1.450 1.00 89.57 19 A 1 ATOM 154 N N . LEU A 1 20 ? -5.270 -3.840 -5.208 1.00 97.24 20 A 1 ATOM 155 C CA . LEU A 1 20 ? -6.684 -4.052 -5.508 1.00 96.83 20 A 1 ATOM 156 C C . LEU A 1 20 ? -6.953 -3.882 -7.000 1.00 97.03 20 A 1 ATOM 157 O O . LEU A 1 20 ? -7.727 -4.635 -7.592 1.00 96.76 20 A 1 ATOM 158 C CB . LEU A 1 20 ? -7.532 -3.069 -4.692 1.00 96.26 20 A 1 ATOM 159 C CG . LEU A 1 20 ? -8.667 -3.724 -3.909 1.00 92.34 20 A 1 ATOM 160 C CD1 . LEU A 1 20 ? -9.202 -2.760 -2.852 1.00 89.65 20 A 1 ATOM 161 C CD2 . LEU A 1 20 ? -9.791 -4.160 -4.831 1.00 89.12 20 A 1 ATOM 162 N N . ALA A 1 21 ? -6.309 -2.910 -7.615 1.00 97.12 21 A 1 ATOM 163 C CA . ALA A 1 21 ? -6.466 -2.649 -9.042 1.00 97.13 21 A 1 ATOM 164 C C . ALA A 1 21 ? -5.818 -3.742 -9.889 1.00 97.19 21 A 1 ATOM 165 O O . ALA A 1 21 ? -6.317 -4.080 -10.961 1.00 96.36 21 A 1 ATOM 166 C CB . ALA A 1 21 ? -5.860 -1.293 -9.387 1.00 96.60 21 A 1 ATOM 167 N N . VAL A 1 22 ? -4.711 -4.289 -9.414 1.00 97.37 22 A 1 ATOM 168 C CA . VAL A 1 22 ? -3.993 -5.351 -10.121 1.00 96.88 22 A 1 ATOM 169 C C . VAL A 1 22 ? -4.722 -6.686 -9.999 1.00 96.74 22 A 1 ATOM 170 O O . VAL A 1 22 ? -4.615 -7.543 -10.882 1.00 95.54 22 A 1 ATOM 171 C CB . VAL A 1 22 ? -2.551 -5.489 -9.593 1.00 95.85 22 A 1 ATOM 172 C CG1 . VAL A 1 22 ? -1.807 -6.603 -10.314 1.00 91.94 22 A 1 ATOM 173 C CG2 . VAL A 1 22 ? -1.786 -4.184 -9.763 1.00 91.09 22 A 1 ATOM 174 N N . SER A 1 23 ? -5.474 -6.856 -8.924 1.00 95.07 23 A 1 ATOM 175 C CA . SER A 1 23 ? -6.203 -8.099 -8.666 1.00 94.04 23 A 1 ATOM 176 C C . SER A 1 23 ? -7.608 -8.047 -9.269 1.00 91.35 23 A 1 ATOM 177 O O . SER A 1 23 ? -8.095 -9.073 -9.767 1.00 86.95 23 A 1 ATOM 178 C CB . SER A 1 23 ? -6.266 -8.367 -7.160 1.00 91.15 23 A 1 ATOM 179 O OG . SER A 1 23 ? -6.407 -9.745 -6.899 1.00 84.41 23 A 1 ATOM 180 O OXT . SER A 1 23 ? -8.195 -6.959 -9.224 1.00 86.01 23 A 1 #