# 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_spkb32901 # _entry.id spkb32901 # 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" "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" "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" # _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 GLU 2 1 n ALA 3 1 n LYS 4 1 n THR 5 1 n PHE 6 1 n PHE 7 1 n LEU 8 1 n PHE 9 1 n MET 10 1 n LEU 11 1 n PHE 12 1 n ILE 13 1 n PHE 14 1 n SER 15 1 n GLN 16 1 n SER 17 1 n TRP 18 1 n LEU 19 1 n SER 20 1 n THR 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 @ 2025-07-12 04:17:12)" _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 92.99 _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 89.07 1 1 A GLU 2 2 87.59 1 2 A ALA 3 2 97.42 1 3 A LYS 4 2 89.56 1 4 A THR 5 2 94.81 1 5 A PHE 6 2 95.78 1 6 A PHE 7 2 95.84 1 7 A LEU 8 2 95.73 1 8 A PHE 9 2 94.72 1 9 A MET 10 2 94.09 1 10 A LEU 11 2 95.86 1 11 A PHE 12 2 95.59 1 12 A ILE 13 2 97.07 1 13 A PHE 14 2 94.41 1 14 A SER 15 2 96.69 1 15 A GLN 16 2 92.13 1 16 A SER 17 2 95.63 1 17 A TRP 18 2 93.67 1 18 A LEU 19 2 93.04 1 19 A SER 20 2 90.90 1 20 A THR 21 2 87.44 1 21 A SER 22 2 75.31 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 GLU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n TRP . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n THR . 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 ? -2.373 -0.626 17.213 1.00 94.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.395 -0.402 15.763 1.00 95.66 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.458 0.630 15.397 1.00 96.06 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.650 0.360 15.474 1.00 95.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.681 -1.697 15.013 1.00 92.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.844 -2.495 15.589 1.00 86.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.963 -4.125 14.849 1.00 80.88 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.916 -4.967 16.082 1.00 71.49 1 A 1 ATOM 9 N N . GLU A 1 2 ? -2.998 1.785 15.031 1.00 93.85 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -3.900 2.860 14.659 1.00 95.85 2 A 1 ATOM 11 C C . GLU A 1 2 ? -4.393 2.685 13.227 1.00 96.35 2 A 1 ATOM 12 O O . GLU A 1 2 ? -3.800 1.951 12.438 1.00 95.16 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -3.190 4.206 14.801 1.00 92.86 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -2.865 4.563 16.234 1.00 82.30 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -2.030 5.815 16.328 1.00 80.65 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -1.703 6.397 15.282 1.00 74.08 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -1.689 6.202 17.459 1.00 77.23 2 A 1 ATOM 18 N N . ALA A 1 3 ? -5.466 3.384 12.918 1.00 97.11 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -6.038 3.330 11.578 1.00 97.80 3 A 1 ATOM 20 C C . ALA A 1 3 ? -5.071 3.911 10.552 1.00 97.97 3 A 1 ATOM 21 O O . ALA A 1 3 ? -5.074 3.506 9.388 1.00 97.23 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -7.357 4.085 11.545 1.00 96.99 3 A 1 ATOM 23 N N . LYS A 1 4 ? -4.247 4.848 11.017 1.00 97.32 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -3.256 5.483 10.155 1.00 97.68 4 A 1 ATOM 25 C C . LYS A 1 4 ? -2.259 4.464 9.626 1.00 97.75 4 A 1 ATOM 26 O O . LYS A 1 4 ? -1.919 4.475 8.444 1.00 97.21 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -2.519 6.580 10.924 1.00 97.31 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -3.392 7.779 11.234 1.00 89.82 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -2.617 8.809 12.024 1.00 84.35 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -3.427 10.063 12.263 1.00 76.62 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -2.647 11.066 13.025 1.00 67.94 4 A 1 ATOM 32 N N . THR A 1 5 ? -1.812 3.604 10.506 1.00 97.35 5 A 1 ATOM 33 C CA . THR A 1 5 ? -0.848 2.575 10.136 1.00 97.72 5 A 1 ATOM 34 C C . THR A 1 5 ? -1.438 1.628 9.107 1.00 97.87 5 A 1 ATOM 35 O O . THR A 1 5 ? -0.795 1.300 8.109 1.00 97.28 5 A 1 ATOM 36 C CB . THR A 1 5 ? -0.403 1.781 11.364 1.00 96.99 5 A 1 ATOM 37 O OG1 . THR A 1 5 ? -0.076 2.680 12.419 1.00 89.84 5 A 1 ATOM 38 C CG2 . THR A 1 5 ? 0.804 0.929 11.039 1.00 86.64 5 A 1 ATOM 39 N N . PHE A 1 6 ? -2.650 1.194 9.367 1.00 97.85 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -3.332 0.286 8.458 1.00 97.86 6 A 1 ATOM 41 C C . PHE A 1 6 ? -3.635 0.978 7.134 1.00 98.00 6 A 1 ATOM 42 O O . PHE A 1 6 ? -3.523 0.373 6.071 1.00 97.64 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -4.619 -0.228 9.096 1.00 97.57 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -5.209 -1.397 8.356 1.00 96.65 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -4.666 -2.660 8.498 1.00 93.98 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -6.293 -1.218 7.518 1.00 94.56 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -5.198 -3.737 7.814 1.00 92.88 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -6.828 -2.295 6.826 1.00 93.24 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -6.280 -3.553 6.976 1.00 93.36 6 A 1 ATOM 50 N N . PHE A 1 7 ? -4.015 2.232 7.227 1.00 97.75 7 A 1 ATOM 51 C CA . PHE A 1 7 ? -4.318 3.022 6.038 1.00 97.89 7 A 1 ATOM 52 C C . PHE A 1 7 ? -3.091 3.146 5.147 1.00 98.04 7 A 1 ATOM 53 O O . PHE A 1 7 ? -3.179 2.981 3.929 1.00 97.80 7 A 1 ATOM 54 C CB . PHE A 1 7 ? -4.815 4.404 6.450 1.00 97.76 7 A 1 ATOM 55 C CG . PHE A 1 7 ? -5.226 5.254 5.279 1.00 96.81 7 A 1 ATOM 56 C CD1 . PHE A 1 7 ? -6.409 5.002 4.609 1.00 93.93 7 A 1 ATOM 57 C CD2 . PHE A 1 7 ? -4.414 6.295 4.855 1.00 94.43 7 A 1 ATOM 58 C CE1 . PHE A 1 7 ? -6.787 5.778 3.527 1.00 92.84 7 A 1 ATOM 59 C CE2 . PHE A 1 7 ? -4.788 7.073 3.767 1.00 93.20 7 A 1 ATOM 60 C CZ . PHE A 1 7 ? -5.973 6.813 3.106 1.00 93.84 7 A 1 ATOM 61 N N . LEU A 1 8 ? -1.963 3.430 5.771 1.00 97.76 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -0.709 3.544 5.038 1.00 97.82 8 A 1 ATOM 63 C C . LEU A 1 8 ? -0.330 2.215 4.407 1.00 97.92 8 A 1 ATOM 64 O O . LEU A 1 8 ? 0.129 2.165 3.265 1.00 97.92 8 A 1 ATOM 65 C CB . LEU A 1 8 ? 0.397 4.016 5.980 1.00 97.71 8 A 1 ATOM 66 C CG . LEU A 1 8 ? 0.533 5.530 6.054 1.00 93.41 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? 1.156 5.953 7.368 1.00 91.07 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? 1.373 6.033 4.891 1.00 92.25 8 A 1 ATOM 69 N N . PHE A 1 9 ? -0.524 1.162 5.167 1.00 97.18 9 A 1 ATOM 70 C CA . PHE A 1 9 ? -0.226 -0.175 4.676 1.00 97.26 9 A 1 ATOM 71 C C . PHE A 1 9 ? -1.134 -0.519 3.501 1.00 97.63 9 A 1 ATOM 72 O O . PHE A 1 9 ? -0.686 -1.086 2.507 1.00 97.46 9 A 1 ATOM 73 C CB . PHE A 1 9 ? -0.403 -1.187 5.805 1.00 97.11 9 A 1 ATOM 74 C CG . PHE A 1 9 ? 0.092 -2.560 5.437 1.00 95.74 9 A 1 ATOM 75 C CD1 . PHE A 1 9 ? 1.448 -2.808 5.320 1.00 92.21 9 A 1 ATOM 76 C CD2 . PHE A 1 9 ? -0.806 -3.586 5.208 1.00 93.01 9 A 1 ATOM 77 C CE1 . PHE A 1 9 ? 1.909 -4.067 4.979 1.00 91.15 9 A 1 ATOM 78 C CE2 . PHE A 1 9 ? -0.348 -4.851 4.859 1.00 91.60 9 A 1 ATOM 79 C CZ . PHE A 1 9 ? 1.008 -5.090 4.747 1.00 91.54 9 A 1 ATOM 80 N N . MET A 1 10 ? -2.392 -0.184 3.640 1.00 97.38 10 A 1 ATOM 81 C CA . MET A 1 10 ? -3.369 -0.429 2.580 1.00 97.56 10 A 1 ATOM 82 C C . MET A 1 10 ? -2.975 0.311 1.309 1.00 97.81 10 A 1 ATOM 83 O O . MET A 1 10 ? -3.116 -0.212 0.205 1.00 97.43 10 A 1 ATOM 84 C CB . MET A 1 10 ? -4.753 0.029 3.041 1.00 97.32 10 A 1 ATOM 85 C CG . MET A 1 10 ? -5.732 -1.120 3.195 1.00 95.12 10 A 1 ATOM 86 S SD . MET A 1 10 ? -6.563 -1.471 1.653 1.00 89.02 10 A 1 ATOM 87 C CE . MET A 1 10 ? -7.925 -2.482 2.246 1.00 81.04 10 A 1 ATOM 88 N N . LEU A 1 11 ? -2.473 1.511 1.479 1.00 97.96 11 A 1 ATOM 89 C CA . LEU A 1 11 ? -2.021 2.315 0.353 1.00 98.01 11 A 1 ATOM 90 C C . LEU A 1 11 ? -0.848 1.643 -0.343 1.00 98.11 11 A 1 ATOM 91 O O . LEU A 1 11 ? -0.757 1.638 -1.570 1.00 97.97 11 A 1 ATOM 92 C CB . LEU A 1 11 ? -1.618 3.712 0.836 1.00 97.84 11 A 1 ATOM 93 C CG . LEU A 1 11 ? -1.939 4.828 -0.153 1.00 94.05 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? -3.431 5.125 -0.142 1.00 90.95 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? -1.147 6.078 0.183 1.00 91.99 11 A 1 ATOM 96 N N . PHE A 1 12 ? 0.040 1.086 0.453 1.00 98.21 12 A 1 ATOM 97 C CA . PHE A 1 12 ? 1.202 0.383 -0.073 1.00 98.20 12 A 1 ATOM 98 C C . PHE A 1 12 ? 0.774 -0.844 -0.868 1.00 98.26 12 A 1 ATOM 99 O O . PHE A 1 12 ? 1.302 -1.108 -1.950 1.00 97.94 12 A 1 ATOM 100 C CB . PHE A 1 12 ? 2.122 -0.014 1.080 1.00 97.99 12 A 1 ATOM 101 C CG . PHE A 1 12 ? 3.281 -0.866 0.641 1.00 96.33 12 A 1 ATOM 102 C CD1 . PHE A 1 12 ? 4.316 -0.319 -0.098 1.00 93.16 12 A 1 ATOM 103 C CD2 . PHE A 1 12 ? 3.319 -2.211 0.968 1.00 93.65 12 A 1 ATOM 104 C CE1 . PHE A 1 12 ? 5.383 -1.100 -0.511 1.00 92.34 12 A 1 ATOM 105 C CE2 . PHE A 1 12 ? 4.386 -2.999 0.553 1.00 92.75 12 A 1 ATOM 106 C CZ . PHE A 1 12 ? 5.416 -2.443 -0.186 1.00 92.64 12 A 1 ATOM 107 N N . ILE A 1 13 ? -0.166 -1.580 -0.316 1.00 98.13 13 A 1 ATOM 108 C CA . ILE A 1 13 ? -0.681 -2.774 -0.979 1.00 98.08 13 A 1 ATOM 109 C C . ILE A 1 13 ? -1.367 -2.389 -2.285 1.00 98.10 13 A 1 ATOM 110 O O . ILE A 1 13 ? -1.203 -3.047 -3.312 1.00 97.88 13 A 1 ATOM 111 C CB . ILE A 1 13 ? -1.658 -3.533 -0.060 1.00 97.90 13 A 1 ATOM 112 C CG1 . ILE A 1 13 ? -0.940 -4.020 1.204 1.00 96.81 13 A 1 ATOM 113 C CG2 . ILE A 1 13 ? -2.289 -4.716 -0.794 1.00 96.29 13 A 1 ATOM 114 C CD1 . ILE A 1 13 ? 0.129 -5.060 0.933 1.00 93.41 13 A 1 ATOM 115 N N . PHE A 1 14 ? -2.123 -1.330 -2.226 1.00 98.05 14 A 1 ATOM 116 C CA . PHE A 1 14 ? -2.825 -0.834 -3.402 1.00 97.85 14 A 1 ATOM 117 C C . PHE A 1 14 ? -1.837 -0.411 -4.478 1.00 97.93 14 A 1 ATOM 118 O O . PHE A 1 14 ? -2.054 -0.667 -5.665 1.00 97.60 14 A 1 ATOM 119 C CB . PHE A 1 14 ? -3.714 0.341 -3.012 1.00 97.52 14 A 1 ATOM 120 C CG . PHE A 1 14 ? -4.547 0.850 -4.152 1.00 94.53 14 A 1 ATOM 121 C CD1 . PHE A 1 14 ? -5.650 0.142 -4.591 1.00 91.37 14 A 1 ATOM 122 C CD2 . PHE A 1 14 ? -4.210 2.035 -4.784 1.00 91.80 14 A 1 ATOM 123 C CE1 . PHE A 1 14 ? -6.418 0.605 -5.644 1.00 90.63 14 A 1 ATOM 124 C CE2 . PHE A 1 14 ? -4.972 2.501 -5.844 1.00 90.98 14 A 1 ATOM 125 C CZ . PHE A 1 14 ? -6.076 1.785 -6.271 1.00 90.28 14 A 1 ATOM 126 N N . SER A 1 15 ? -0.762 0.220 -4.053 1.00 97.84 15 A 1 ATOM 127 C CA . SER A 1 15 ? 0.276 0.664 -4.973 1.00 97.83 15 A 1 ATOM 128 C C . SER A 1 15 ? 0.930 -0.527 -5.658 1.00 97.86 15 A 1 ATOM 129 O O . SER A 1 15 ? 1.174 -0.501 -6.864 1.00 97.14 15 A 1 ATOM 130 C CB . SER A 1 15 ? 1.326 1.487 -4.232 1.00 97.25 15 A 1 ATOM 131 O OG . SER A 1 15 ? 2.189 2.115 -5.147 1.00 92.21 15 A 1 ATOM 132 N N . GLN A 1 16 ? 1.207 -1.551 -4.881 1.00 97.99 16 A 1 ATOM 133 C CA . GLN A 1 16 ? 1.806 -2.767 -5.412 1.00 97.78 16 A 1 ATOM 134 C C . GLN A 1 16 ? 0.861 -3.448 -6.387 1.00 97.85 16 A 1 ATOM 135 O O . GLN A 1 16 ? 1.279 -3.932 -7.439 1.00 96.71 16 A 1 ATOM 136 C CB . GLN A 1 16 ? 2.158 -3.719 -4.268 1.00 97.01 16 A 1 ATOM 137 C CG . GLN A 1 16 ? 3.580 -3.529 -3.764 1.00 91.94 16 A 1 ATOM 138 C CD . GLN A 1 16 ? 4.585 -4.240 -4.655 1.00 88.47 16 A 1 ATOM 139 O OE1 . GLN A 1 16 ? 4.227 -5.033 -5.516 1.00 82.52 16 A 1 ATOM 140 N NE2 . GLN A 1 16 ? 5.859 -3.975 -4.448 1.00 78.91 16 A 1 ATOM 141 N N . SER A 1 17 ? -0.399 -3.477 -6.029 1.00 97.12 17 A 1 ATOM 142 C CA . SER A 1 17 ? -1.419 -4.088 -6.867 1.00 97.15 17 A 1 ATOM 143 C C . SER A 1 17 ? -1.549 -3.338 -8.187 1.00 97.22 17 A 1 ATOM 144 O O . SER A 1 17 ? -1.724 -3.946 -9.240 1.00 95.93 17 A 1 ATOM 145 C CB . SER A 1 17 ? -2.761 -4.114 -6.143 1.00 96.19 17 A 1 ATOM 146 O OG . SER A 1 17 ? -3.651 -4.976 -6.806 1.00 90.17 17 A 1 ATOM 147 N N . TRP A 1 18 ? -1.442 -2.015 -8.116 1.00 97.63 18 A 1 ATOM 148 C CA . TRP A 1 18 ? -1.541 -1.180 -9.303 1.00 97.51 18 A 1 ATOM 149 C C . TRP A 1 18 ? -0.374 -1.430 -10.248 1.00 97.46 18 A 1 ATOM 150 O O . TRP A 1 18 ? -0.563 -1.558 -11.454 1.00 96.51 18 A 1 ATOM 151 C CB . TRP A 1 18 ? -1.575 0.293 -8.908 1.00 96.95 18 A 1 ATOM 152 C CG . TRP A 1 18 ? -2.030 1.175 -10.014 1.00 94.69 18 A 1 ATOM 153 C CD1 . TRP A 1 18 ? -3.309 1.335 -10.445 1.00 91.33 18 A 1 ATOM 154 C CD2 . TRP A 1 18 ? -1.220 2.013 -10.852 1.00 93.56 18 A 1 ATOM 155 N NE1 . TRP A 1 18 ? -3.347 2.220 -11.494 1.00 91.01 18 A 1 ATOM 156 C CE2 . TRP A 1 18 ? -2.078 2.655 -11.770 1.00 93.99 18 A 1 ATOM 157 C CE3 . TRP A 1 18 ? 0.150 2.278 -10.915 1.00 91.88 18 A 1 ATOM 158 C CZ2 . TRP A 1 18 ? -1.602 3.544 -12.726 1.00 92.06 18 A 1 ATOM 159 C CZ3 . TRP A 1 18 ? 0.624 3.164 -11.872 1.00 88.28 18 A 1 ATOM 160 C CH2 . TRP A 1 18 ? -0.249 3.787 -12.765 1.00 88.51 18 A 1 ATOM 161 N N . LEU A 1 19 ? 0.811 -1.514 -9.687 1.00 97.25 19 A 1 ATOM 162 C CA . LEU A 1 19 ? 2.002 -1.768 -10.484 1.00 96.54 19 A 1 ATOM 163 C C . LEU A 1 19 ? 2.004 -3.178 -11.049 1.00 96.30 19 A 1 ATOM 164 O O . LEU A 1 19 ? 2.388 -3.389 -12.204 1.00 95.47 19 A 1 ATOM 165 C CB . LEU A 1 19 ? 3.255 -1.546 -9.642 1.00 95.75 19 A 1 ATOM 166 C CG . LEU A 1 19 ? 3.639 -0.085 -9.465 1.00 91.40 19 A 1 ATOM 167 C CD1 . LEU A 1 19 ? 4.555 0.087 -8.271 1.00 86.61 19 A 1 ATOM 168 C CD2 . LEU A 1 19 ? 4.320 0.428 -10.728 1.00 85.00 19 A 1 ATOM 169 N N . SER A 1 20 ? 1.597 -4.123 -10.234 1.00 94.88 20 A 1 ATOM 170 C CA . SER A 1 20 ? 1.548 -5.518 -10.642 1.00 94.36 20 A 1 ATOM 171 C C . SER A 1 20 ? 0.399 -5.775 -11.601 1.00 93.10 20 A 1 ATOM 172 O O . SER A 1 20 ? 0.566 -6.435 -12.626 1.00 89.70 20 A 1 ATOM 173 C CB . SER A 1 20 ? 1.421 -6.426 -9.426 1.00 92.12 20 A 1 ATOM 174 O OG . SER A 1 20 ? 1.635 -7.765 -9.805 1.00 81.24 20 A 1 ATOM 175 N N . THR A 1 21 ? -0.753 -5.236 -11.254 1.00 94.60 21 A 1 ATOM 176 C CA . THR A 1 21 ? -1.954 -5.413 -12.061 1.00 92.33 21 A 1 ATOM 177 C C . THR A 1 21 ? -2.265 -4.132 -12.835 1.00 89.33 21 A 1 ATOM 178 O O . THR A 1 21 ? -3.256 -3.451 -12.566 1.00 82.85 21 A 1 ATOM 179 C CB . THR A 1 21 ? -3.151 -5.800 -11.187 1.00 89.44 21 A 1 ATOM 180 O OG1 . THR A 1 21 ? -2.737 -6.764 -10.223 1.00 82.41 21 A 1 ATOM 181 C CG2 . THR A 1 21 ? -4.266 -6.382 -12.025 1.00 81.09 21 A 1 ATOM 182 N N . SER A 1 22 ? -1.411 -3.826 -13.785 1.00 87.03 22 A 1 ATOM 183 C CA . SER A 1 22 ? -1.580 -2.630 -14.605 1.00 82.38 22 A 1 ATOM 184 C C . SER A 1 22 ? -2.465 -2.928 -15.812 1.00 76.45 22 A 1 ATOM 185 O O . SER A 1 22 ? -1.972 -3.453 -16.811 1.00 69.73 22 A 1 ATOM 186 C CB . SER A 1 22 ? -0.230 -2.112 -15.078 1.00 74.87 22 A 1 ATOM 187 O OG . SER A 1 22 ? 0.565 -1.704 -13.998 1.00 67.66 22 A 1 ATOM 188 O OXT . SER A 1 22 ? -3.664 -2.648 -15.768 1.00 69.05 22 A 1 #