# 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_spkb37697 # _entry.id spkb37697 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 GLN 2 1 n THR 3 1 n ALA 4 1 n TYR 5 1 n TRP 6 1 n VAL 7 1 n VAL 8 1 n VAL 9 1 n MET 10 1 n MET 11 1 n MET 12 1 n MET 13 1 n VAL 14 1 n TRP 15 1 n VAL 16 1 n THR 17 1 n ALA 18 1 n PRO 19 1 n VAL 20 1 n SER 21 1 n GLU 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 @ 2025-07-09 11:23:15)" _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 93.59 _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 89.62 1 1 A GLN 2 2 88.33 1 2 A THR 3 2 95.68 1 3 A ALA 4 2 98.14 1 4 A TYR 5 2 95.57 1 5 A TRP 6 2 96.09 1 6 A VAL 7 2 97.92 1 7 A VAL 8 2 97.81 1 8 A VAL 9 2 97.83 1 9 A MET 10 2 93.40 1 10 A MET 11 2 93.45 1 11 A MET 12 2 93.97 1 12 A MET 13 2 92.85 1 13 A VAL 14 2 97.42 1 14 A TRP 15 2 94.31 1 15 A VAL 16 2 96.97 1 16 A THR 17 2 95.44 1 17 A ALA 18 2 96.49 1 18 A PRO 19 2 94.62 1 19 A VAL 20 2 91.40 1 20 A SER 21 2 87.60 1 21 A GLU 22 2 79.05 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 GLN . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLU . 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 ? -14.987 3.753 8.056 1.00 95.80 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.551 3.567 8.360 1.00 96.26 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.785 2.852 7.246 1.00 96.63 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.566 2.835 7.277 1.00 95.11 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.373 2.834 9.697 1.00 93.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.573 3.782 10.882 1.00 87.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.269 2.967 12.468 1.00 81.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.234 4.388 13.561 1.00 71.00 1 A 1 ATOM 9 N N . GLN A 1 2 ? -13.469 2.298 6.251 1.00 96.23 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -12.812 1.579 5.153 1.00 97.12 2 A 1 ATOM 11 C C . GLN A 1 2 ? -11.898 2.484 4.321 1.00 97.68 2 A 1 ATOM 12 O O . GLN A 1 2 ? -10.813 2.062 3.923 1.00 96.39 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -13.882 0.945 4.267 1.00 95.05 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -14.531 -0.260 4.951 1.00 85.78 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -15.659 -0.845 4.110 1.00 80.77 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -16.221 -0.194 3.248 1.00 75.08 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -16.038 -2.076 4.336 1.00 70.90 2 A 1 ATOM 18 N N . THR A 1 3 ? -12.269 3.729 4.098 1.00 97.59 3 A 1 ATOM 19 C CA . THR A 1 3 ? -11.443 4.682 3.346 1.00 98.07 3 A 1 ATOM 20 C C . THR A 1 3 ? -10.130 4.979 4.060 1.00 98.35 3 A 1 ATOM 21 O O . THR A 1 3 ? -9.084 5.040 3.423 1.00 98.02 3 A 1 ATOM 22 C CB . THR A 1 3 ? -12.207 5.991 3.133 1.00 97.44 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -13.537 5.717 2.757 1.00 91.17 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -11.568 6.842 2.050 1.00 89.11 3 A 1 ATOM 25 N N . ALA A 1 4 ? -10.159 5.122 5.376 1.00 98.20 4 A 1 ATOM 26 C CA . ALA A 1 4 ? -8.951 5.360 6.164 1.00 98.25 4 A 1 ATOM 27 C C . ALA A 1 4 ? -7.995 4.162 6.095 1.00 98.42 4 A 1 ATOM 28 O O . ALA A 1 4 ? -6.790 4.346 5.958 1.00 98.12 4 A 1 ATOM 29 C CB . ALA A 1 4 ? -9.353 5.670 7.609 1.00 97.72 4 A 1 ATOM 30 N N . TYR A 1 5 ? -8.529 2.944 6.118 1.00 98.31 5 A 1 ATOM 31 C CA . TYR A 1 5 ? -7.744 1.722 5.943 1.00 98.33 5 A 1 ATOM 32 C C . TYR A 1 5 ? -7.018 1.715 4.592 1.00 98.45 5 A 1 ATOM 33 O O . TYR A 1 5 ? -5.811 1.486 4.547 1.00 98.30 5 A 1 ATOM 34 C CB . TYR A 1 5 ? -8.681 0.517 6.082 1.00 98.12 5 A 1 ATOM 35 C CG . TYR A 1 5 ? -8.032 -0.776 5.654 1.00 96.21 5 A 1 ATOM 36 C CD1 . TYR A 1 5 ? -8.239 -1.277 4.356 1.00 94.19 5 A 1 ATOM 37 C CD2 . TYR A 1 5 ? -7.190 -1.463 6.539 1.00 93.96 5 A 1 ATOM 38 C CE1 . TYR A 1 5 ? -7.606 -2.453 3.948 1.00 92.53 5 A 1 ATOM 39 C CE2 . TYR A 1 5 ? -6.555 -2.644 6.133 1.00 93.01 5 A 1 ATOM 40 C CZ . TYR A 1 5 ? -6.765 -3.132 4.834 1.00 93.03 5 A 1 ATOM 41 O OH . TYR A 1 5 ? -6.131 -4.278 4.429 1.00 92.43 5 A 1 ATOM 42 N N . TRP A 1 6 ? -7.716 2.027 3.501 1.00 98.33 6 A 1 ATOM 43 C CA . TRP A 1 6 ? -7.118 2.070 2.169 1.00 98.38 6 A 1 ATOM 44 C C . TRP A 1 6 ? -6.024 3.125 2.059 1.00 98.53 6 A 1 ATOM 45 O O . TRP A 1 6 ? -4.971 2.852 1.487 1.00 98.38 6 A 1 ATOM 46 C CB . TRP A 1 6 ? -8.211 2.317 1.130 1.00 98.22 6 A 1 ATOM 47 C CG . TRP A 1 6 ? -8.754 1.048 0.575 1.00 97.15 6 A 1 ATOM 48 C CD1 . TRP A 1 6 ? -9.937 0.480 0.886 1.00 94.32 6 A 1 ATOM 49 C CD2 . TRP A 1 6 ? -8.124 0.174 -0.395 1.00 95.67 6 A 1 ATOM 50 N NE1 . TRP A 1 6 ? -10.084 -0.695 0.161 1.00 94.47 6 A 1 ATOM 51 C CE2 . TRP A 1 6 ? -8.991 -0.919 -0.638 1.00 95.66 6 A 1 ATOM 52 C CE3 . TRP A 1 6 ? -6.902 0.208 -1.096 1.00 94.66 6 A 1 ATOM 53 C CZ2 . TRP A 1 6 ? -8.663 -1.944 -1.543 1.00 94.79 6 A 1 ATOM 54 C CZ3 . TRP A 1 6 ? -6.574 -0.813 -1.996 1.00 93.52 6 A 1 ATOM 55 C CH2 . TRP A 1 6 ? -7.448 -1.880 -2.215 1.00 93.25 6 A 1 ATOM 56 N N . VAL A 1 7 ? -6.236 4.292 2.630 1.00 98.31 7 A 1 ATOM 57 C CA . VAL A 1 7 ? -5.239 5.367 2.628 1.00 98.31 7 A 1 ATOM 58 C C . VAL A 1 7 ? -3.975 4.929 3.367 1.00 98.39 7 A 1 ATOM 59 O O . VAL A 1 7 ? -2.876 5.097 2.842 1.00 98.29 7 A 1 ATOM 60 C CB . VAL A 1 7 ? -5.821 6.654 3.239 1.00 98.08 7 A 1 ATOM 61 C CG1 . VAL A 1 7 ? -4.757 7.738 3.414 1.00 97.14 7 A 1 ATOM 62 C CG2 . VAL A 1 7 ? -6.916 7.223 2.342 1.00 96.94 7 A 1 ATOM 63 N N . VAL A 1 8 ? -4.123 4.330 4.531 1.00 98.16 8 A 1 ATOM 64 C CA . VAL A 1 8 ? -2.978 3.866 5.327 1.00 98.14 8 A 1 ATOM 65 C C . VAL A 1 8 ? -2.228 2.752 4.600 1.00 98.22 8 A 1 ATOM 66 O O . VAL A 1 8 ? -1.003 2.802 4.506 1.00 98.09 8 A 1 ATOM 67 C CB . VAL A 1 8 ? -3.435 3.408 6.726 1.00 97.92 8 A 1 ATOM 68 C CG1 . VAL A 1 8 ? -2.298 2.759 7.517 1.00 97.15 8 A 1 ATOM 69 C CG2 . VAL A 1 8 ? -3.944 4.598 7.539 1.00 96.96 8 A 1 ATOM 70 N N . VAL A 1 9 ? -2.934 1.786 4.046 1.00 98.22 9 A 1 ATOM 71 C CA . VAL A 1 9 ? -2.319 0.664 3.326 1.00 98.17 9 A 1 ATOM 72 C C . VAL A 1 9 ? -1.579 1.153 2.084 1.00 98.20 9 A 1 ATOM 73 O O . VAL A 1 9 ? -0.433 0.761 1.871 1.00 98.05 9 A 1 ATOM 74 C CB . VAL A 1 9 ? -3.373 -0.395 2.962 1.00 97.93 9 A 1 ATOM 75 C CG1 . VAL A 1 9 ? -2.816 -1.472 2.028 1.00 97.18 9 A 1 ATOM 76 C CG2 . VAL A 1 9 ? -3.868 -1.092 4.227 1.00 97.05 9 A 1 ATOM 77 N N . MET A 1 10 ? -2.180 2.015 1.280 1.00 97.71 10 A 1 ATOM 78 C CA . MET A 1 10 ? -1.525 2.563 0.085 1.00 97.57 10 A 1 ATOM 79 C C . MET A 1 10 ? -0.298 3.392 0.449 1.00 97.64 10 A 1 ATOM 80 O O . MET A 1 10 ? 0.757 3.224 -0.154 1.00 97.49 10 A 1 ATOM 81 C CB . MET A 1 10 ? -2.502 3.421 -0.725 1.00 97.43 10 A 1 ATOM 82 C CG . MET A 1 10 ? -3.366 2.577 -1.656 1.00 93.86 10 A 1 ATOM 83 S SD . MET A 1 10 ? -3.599 3.346 -3.266 1.00 86.79 10 A 1 ATOM 84 C CE . MET A 1 10 ? -4.410 2.014 -4.152 1.00 78.74 10 A 1 ATOM 85 N N . MET A 1 11 ? -0.421 4.244 1.431 1.00 97.66 11 A 1 ATOM 86 C CA . MET A 1 11 ? 0.680 5.107 1.846 1.00 97.57 11 A 1 ATOM 87 C C . MET A 1 11 ? 1.845 4.276 2.384 1.00 97.73 11 A 1 ATOM 88 O O . MET A 1 11 ? 2.987 4.516 2.015 1.00 97.48 11 A 1 ATOM 89 C CB . MET A 1 11 ? 0.165 6.119 2.870 1.00 97.33 11 A 1 ATOM 90 C CG . MET A 1 11 ? 0.991 7.400 2.854 1.00 94.03 11 A 1 ATOM 91 S SD . MET A 1 11 ? 0.132 8.774 3.652 1.00 86.65 11 A 1 ATOM 92 C CE . MET A 1 11 ? 1.270 10.118 3.292 1.00 79.16 11 A 1 ATOM 93 N N . MET A 1 12 ? 1.556 3.262 3.179 1.00 97.74 12 A 1 ATOM 94 C CA . MET A 1 12 ? 2.583 2.389 3.740 1.00 97.81 12 A 1 ATOM 95 C C . MET A 1 12 ? 3.237 1.522 2.663 1.00 97.95 12 A 1 ATOM 96 O O . MET A 1 12 ? 4.455 1.399 2.645 1.00 97.62 12 A 1 ATOM 97 C CB . MET A 1 12 ? 1.973 1.550 4.863 1.00 97.66 12 A 1 ATOM 98 C CG . MET A 1 12 ? 3.037 1.113 5.860 1.00 94.88 12 A 1 ATOM 99 S SD . MET A 1 12 ? 2.344 0.547 7.427 1.00 87.82 12 A 1 ATOM 100 C CE . MET A 1 12 ? 3.847 0.435 8.408 1.00 80.27 12 A 1 ATOM 101 N N . MET A 1 13 ? 2.475 0.966 1.733 1.00 97.85 13 A 1 ATOM 102 C CA . MET A 1 13 ? 3.019 0.186 0.617 1.00 97.81 13 A 1 ATOM 103 C C . MET A 1 13 ? 3.962 1.018 -0.244 1.00 97.95 13 A 1 ATOM 104 O O . MET A 1 13 ? 5.079 0.590 -0.515 1.00 97.51 13 A 1 ATOM 105 C CB . MET A 1 13 ? 1.901 -0.383 -0.263 1.00 97.45 13 A 1 ATOM 106 C CG . MET A 1 13 ? 1.596 -1.837 0.080 1.00 93.08 13 A 1 ATOM 107 S SD . MET A 1 13 ? 0.793 -2.709 -1.276 1.00 84.90 13 A 1 ATOM 108 C CE . MET A 1 13 ? 0.899 -4.404 -0.681 1.00 76.22 13 A 1 ATOM 109 N N . VAL A 1 14 ? 3.548 2.201 -0.648 1.00 98.01 14 A 1 ATOM 110 C CA . VAL A 1 14 ? 4.389 3.086 -1.460 1.00 97.94 14 A 1 ATOM 111 C C . VAL A 1 14 ? 5.634 3.499 -0.682 1.00 98.11 14 A 1 ATOM 112 O O . VAL A 1 14 ? 6.734 3.491 -1.232 1.00 97.73 14 A 1 ATOM 113 C CB . VAL A 1 14 ? 3.583 4.305 -1.931 1.00 97.53 14 A 1 ATOM 114 C CG1 . VAL A 1 14 ? 4.464 5.320 -2.653 1.00 96.29 14 A 1 ATOM 115 C CG2 . VAL A 1 14 ? 2.481 3.872 -2.897 1.00 96.31 14 A 1 ATOM 116 N N . TRP A 1 15 ? 5.499 3.781 0.592 1.00 97.73 15 A 1 ATOM 117 C CA . TRP A 1 15 ? 6.601 4.219 1.441 1.00 97.80 15 A 1 ATOM 118 C C . TRP A 1 15 ? 7.633 3.125 1.684 1.00 98.01 15 A 1 ATOM 119 O O . TRP A 1 15 ? 8.805 3.443 1.833 1.00 97.45 15 A 1 ATOM 120 C CB . TRP A 1 15 ? 6.076 4.730 2.774 1.00 97.55 15 A 1 ATOM 121 C CG . TRP A 1 15 ? 6.588 6.062 3.204 1.00 96.16 15 A 1 ATOM 122 C CD1 . TRP A 1 15 ? 7.692 6.698 2.750 1.00 92.56 15 A 1 ATOM 123 C CD2 . TRP A 1 15 ? 6.003 6.940 4.205 1.00 94.00 15 A 1 ATOM 124 N NE1 . TRP A 1 15 ? 7.839 7.908 3.402 1.00 92.32 15 A 1 ATOM 125 C CE2 . TRP A 1 15 ? 6.811 8.093 4.307 1.00 94.24 15 A 1 ATOM 126 C CE3 . TRP A 1 15 ? 4.862 6.867 5.025 1.00 92.39 15 A 1 ATOM 127 C CZ2 . TRP A 1 15 ? 6.508 9.139 5.201 1.00 92.47 15 A 1 ATOM 128 C CZ3 . TRP A 1 15 ? 4.559 7.904 5.911 1.00 88.93 15 A 1 ATOM 129 C CH2 . TRP A 1 15 ? 5.375 9.030 5.999 1.00 88.76 15 A 1 ATOM 130 N N . VAL A 1 16 ? 7.232 1.864 1.729 1.00 98.10 16 A 1 ATOM 131 C CA . VAL A 1 16 ? 8.193 0.774 1.914 1.00 97.85 16 A 1 ATOM 132 C C . VAL A 1 16 ? 8.766 0.291 0.589 1.00 97.90 16 A 1 ATOM 133 O O . VAL A 1 16 ? 9.904 -0.162 0.553 1.00 97.20 16 A 1 ATOM 134 C CB . VAL A 1 16 ? 7.600 -0.399 2.717 1.00 97.18 16 A 1 ATOM 135 C CG1 . VAL A 1 16 ? 7.201 0.061 4.117 1.00 95.02 16 A 1 ATOM 136 C CG2 . VAL A 1 16 ? 6.411 -1.063 2.038 1.00 95.53 16 A 1 ATOM 137 N N . THR A 1 17 ? 8.036 0.390 -0.500 1.00 97.83 17 A 1 ATOM 138 C CA . THR A 1 17 ? 8.478 -0.114 -1.804 1.00 97.62 17 A 1 ATOM 139 C C . THR A 1 17 ? 9.368 0.891 -2.532 1.00 97.50 17 A 1 ATOM 140 O O . THR A 1 17 ? 10.361 0.487 -3.133 1.00 96.20 17 A 1 ATOM 141 C CB . THR A 1 17 ? 7.277 -0.492 -2.683 1.00 96.76 17 A 1 ATOM 142 O OG1 . THR A 1 17 ? 6.372 -1.291 -1.958 1.00 91.69 17 A 1 ATOM 143 C CG2 . THR A 1 17 ? 7.692 -1.303 -3.900 1.00 90.45 17 A 1 ATOM 144 N N . ALA A 1 18 ? 9.057 2.171 -2.487 1.00 97.30 18 A 1 ATOM 145 C CA . ALA A 1 18 ? 9.803 3.179 -3.240 1.00 96.83 18 A 1 ATOM 146 C C . ALA A 1 18 ? 11.244 3.399 -2.733 1.00 96.90 18 A 1 ATOM 147 O O . ALA A 1 18 ? 12.160 3.383 -3.554 1.00 95.76 18 A 1 ATOM 148 C CB . ALA A 1 18 ? 8.992 4.477 -3.303 1.00 95.64 18 A 1 ATOM 149 N N . PRO A 1 19 ? 11.497 3.573 -1.428 1.00 96.37 19 A 1 ATOM 150 C CA . PRO A 1 19 ? 12.859 3.817 -0.948 1.00 95.88 19 A 1 ATOM 151 C C . PRO A 1 19 ? 13.689 2.546 -0.800 1.00 95.87 19 A 1 ATOM 152 O O . PRO A 1 19 ? 14.911 2.632 -0.758 1.00 92.76 19 A 1 ATOM 153 C CB . PRO A 1 19 ? 12.670 4.514 0.398 1.00 93.98 19 A 1 ATOM 154 C CG . PRO A 1 19 ? 11.356 3.959 0.898 1.00 92.29 19 A 1 ATOM 155 C CD . PRO A 1 19 ? 10.540 3.767 -0.370 1.00 95.16 19 A 1 ATOM 156 N N . VAL A 1 20 ? 13.071 1.379 -0.711 1.00 94.92 20 A 1 ATOM 157 C CA . VAL A 1 20 ? 13.776 0.101 -0.547 1.00 94.32 20 A 1 ATOM 158 C C . VAL A 1 20 ? 14.129 -0.514 -1.896 1.00 93.87 20 A 1 ATOM 159 O O . VAL A 1 20 ? 15.139 -1.213 -2.000 1.00 91.32 20 A 1 ATOM 160 C CB . VAL A 1 20 ? 12.947 -0.870 0.310 1.00 92.83 20 A 1 ATOM 161 C CG1 . VAL A 1 20 ? 13.651 -2.211 0.500 1.00 86.08 20 A 1 ATOM 162 C CG2 . VAL A 1 20 ? 12.686 -0.282 1.690 1.00 86.49 20 A 1 ATOM 163 N N . SER A 1 21 ? 13.335 -0.269 -2.926 1.00 92.32 21 A 1 ATOM 164 C CA . SER A 1 21 ? 13.615 -0.720 -4.283 1.00 90.86 21 A 1 ATOM 165 C C . SER A 1 21 ? 14.461 0.323 -5.011 1.00 88.93 21 A 1 ATOM 166 O O . SER A 1 21 ? 14.009 1.441 -5.228 1.00 85.34 21 A 1 ATOM 167 C CB . SER A 1 21 ? 12.313 -0.996 -5.029 1.00 89.13 21 A 1 ATOM 168 O OG . SER A 1 21 ? 12.567 -1.729 -6.209 1.00 78.99 21 A 1 ATOM 169 N N . GLU A 1 22 ? 15.692 -0.033 -5.386 1.00 90.72 22 A 1 ATOM 170 C CA . GLU A 1 22 ? 16.490 0.756 -6.317 1.00 88.51 22 A 1 ATOM 171 C C . GLU A 1 22 ? 15.912 0.740 -7.731 1.00 84.29 22 A 1 ATOM 172 O O . GLU A 1 22 ? 15.313 -0.278 -8.111 1.00 77.71 22 A 1 ATOM 173 C CB . GLU A 1 22 ? 17.933 0.246 -6.365 1.00 83.34 22 A 1 ATOM 174 C CG . GLU A 1 22 ? 18.728 0.642 -5.123 1.00 77.09 22 A 1 ATOM 175 C CD . GLU A 1 22 ? 20.194 0.277 -5.281 1.00 73.52 22 A 1 ATOM 176 O OE1 . GLU A 1 22 ? 20.952 1.097 -5.834 1.00 66.58 22 A 1 ATOM 177 O OE2 . GLU A 1 22 ? 20.575 -0.826 -4.875 1.00 72.44 22 A 1 ATOM 178 O OXT . GLU A 1 22 ? 16.070 1.767 -8.434 1.00 76.33 22 A 1 #