# 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_spkb25364 # _entry.id spkb25364 # 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" "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" "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" "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 ALA 2 1 n SER 3 1 n ARG 4 1 n ALA 5 1 n ALA 6 1 n ALA 7 1 n GLY 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n CYS 12 1 n GLY 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n VAL 17 1 n PHE 18 1 n LEU 19 1 n VAL 20 1 n LEU 21 1 n LEU 22 1 n GLN 23 1 n GLY 24 1 n THR 25 1 n GLN 26 1 n SER 27 # _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 @ 2025-07-03 14:13:56)" _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 92.58 _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 82.64 1 1 A ALA 2 2 93.15 1 2 A SER 3 2 92.64 1 3 A ARG 4 2 85.12 1 4 A ALA 5 2 96.49 1 5 A ALA 6 2 97.38 1 6 A ALA 7 2 97.86 1 7 A GLY 8 2 97.94 1 8 A LEU 9 2 95.03 1 9 A LEU 10 2 95.06 1 10 A LEU 11 2 94.93 1 11 A CYS 12 2 97.12 1 12 A GLY 13 2 98.13 1 13 A VAL 14 2 97.40 1 14 A ALA 15 2 98.33 1 15 A LEU 16 2 94.55 1 16 A VAL 17 2 97.33 1 17 A PHE 18 2 93.88 1 18 A LEU 19 2 93.57 1 19 A VAL 20 2 96.71 1 20 A LEU 21 2 94.02 1 21 A LEU 22 2 93.72 1 22 A GLN 23 2 89.84 1 23 A GLY 24 2 93.93 1 24 A THR 25 2 88.94 1 25 A GLN 26 2 82.18 1 26 A SER 27 2 80.26 1 27 # _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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n GLY . 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 CYS . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n GLN . 26 A 26 A 27 1 n SER . 27 A 27 # _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 ? -21.171 4.448 -7.883 1.00 88.47 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.251 4.947 -6.839 1.00 90.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.855 4.392 -7.104 1.00 91.59 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.634 3.207 -6.883 1.00 88.53 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.726 4.526 -5.444 1.00 85.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.922 5.345 -4.952 1.00 78.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -22.335 4.942 -3.237 1.00 73.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -23.620 6.153 -2.907 1.00 63.84 1 A 1 ATOM 9 N N . ALA A 1 2 ? -17.933 5.209 -7.599 1.00 92.81 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -16.551 4.808 -7.896 1.00 93.99 2 A 1 ATOM 11 C C . ALA A 1 2 ? -15.648 4.785 -6.644 1.00 94.70 2 A 1 ATOM 12 O O . ALA A 1 2 ? -14.446 4.569 -6.741 1.00 92.84 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -16.017 5.748 -8.974 1.00 91.40 2 A 1 ATOM 14 N N . SER A 1 3 ? -16.221 4.995 -5.462 1.00 95.67 3 A 1 ATOM 15 C CA . SER A 1 3 ? -15.491 5.105 -4.191 1.00 96.08 3 A 1 ATOM 16 C C . SER A 1 3 ? -14.761 3.821 -3.800 1.00 96.38 3 A 1 ATOM 17 O O . SER A 1 3 ? -13.785 3.875 -3.060 1.00 94.82 3 A 1 ATOM 18 C CB . SER A 1 3 ? -16.458 5.499 -3.073 1.00 94.26 3 A 1 ATOM 19 O OG . SER A 1 3 ? -17.239 6.608 -3.465 1.00 78.64 3 A 1 ATOM 20 N N . ARG A 1 4 ? -15.199 2.667 -4.308 1.00 95.22 4 A 1 ATOM 21 C CA . ARG A 1 4 ? -14.557 1.376 -4.006 1.00 95.84 4 A 1 ATOM 22 C C . ARG A 1 4 ? -13.172 1.258 -4.640 1.00 96.81 4 A 1 ATOM 23 O O . ARG A 1 4 ? -12.270 0.711 -4.015 1.00 95.72 4 A 1 ATOM 24 C CB . ARG A 1 4 ? -15.486 0.235 -4.448 1.00 94.13 4 A 1 ATOM 25 C CG . ARG A 1 4 ? -15.512 -0.884 -3.408 1.00 86.22 4 A 1 ATOM 26 C CD . ARG A 1 4 ? -16.476 -1.988 -3.837 1.00 83.65 4 A 1 ATOM 27 N NE . ARG A 1 4 ? -16.576 -3.047 -2.814 1.00 77.84 4 A 1 ATOM 28 C CZ . ARG A 1 4 ? -17.314 -4.142 -2.911 1.00 75.41 4 A 1 ATOM 29 N NH1 . ARG A 1 4 ? -18.043 -4.392 -3.967 1.00 68.05 4 A 1 ATOM 30 N NH2 . ARG A 1 4 ? -17.328 -5.008 -1.937 1.00 67.45 4 A 1 ATOM 31 N N . ALA A 1 5 ? -12.983 1.803 -5.845 1.00 95.90 5 A 1 ATOM 32 C CA . ALA A 1 5 ? -11.686 1.828 -6.514 1.00 96.65 5 A 1 ATOM 33 C C . ALA A 1 5 ? -10.706 2.766 -5.792 1.00 97.39 5 A 1 ATOM 34 O O . ALA A 1 5 ? -9.560 2.394 -5.560 1.00 96.90 5 A 1 ATOM 35 C CB . ALA A 1 5 ? -11.894 2.235 -7.973 1.00 95.61 5 A 1 ATOM 36 N N . ALA A 1 6 ? -11.171 3.939 -5.358 1.00 97.34 6 A 1 ATOM 37 C CA . ALA A 1 6 ? -10.364 4.875 -4.583 1.00 97.52 6 A 1 ATOM 38 C C . ALA A 1 6 ? -9.950 4.285 -3.229 1.00 97.89 6 A 1 ATOM 39 O O . ALA A 1 6 ? -8.792 4.397 -2.841 1.00 97.38 6 A 1 ATOM 40 C CB . ALA A 1 6 ? -11.152 6.177 -4.413 1.00 96.78 6 A 1 ATOM 41 N N . ALA A 1 7 ? -10.861 3.592 -2.543 1.00 97.86 7 A 1 ATOM 42 C CA . ALA A 1 7 ? -10.554 2.903 -1.293 1.00 98.00 7 A 1 ATOM 43 C C . ALA A 1 7 ? -9.522 1.786 -1.495 1.00 98.26 7 A 1 ATOM 44 O O . ALA A 1 7 ? -8.597 1.666 -0.697 1.00 97.85 7 A 1 ATOM 45 C CB . ALA A 1 7 ? -11.856 2.359 -0.697 1.00 97.33 7 A 1 ATOM 46 N N . GLY A 1 8 ? -9.635 1.012 -2.572 1.00 97.82 8 A 1 ATOM 47 C CA . GLY A 1 8 ? -8.654 -0.022 -2.912 1.00 97.79 8 A 1 ATOM 48 C C . GLY A 1 8 ? -7.273 0.559 -3.206 1.00 98.20 8 A 1 ATOM 49 O O . GLY A 1 8 ? -6.273 0.030 -2.726 1.00 97.94 8 A 1 ATOM 50 N N . LEU A 1 9 ? -7.211 1.675 -3.939 1.00 98.05 9 A 1 ATOM 51 C CA . LEU A 1 9 ? -5.956 2.360 -4.246 1.00 98.17 9 A 1 ATOM 52 C C . LEU A 1 9 ? -5.313 2.941 -2.985 1.00 98.43 9 A 1 ATOM 53 O O . LEU A 1 9 ? -4.105 2.820 -2.798 1.00 98.27 9 A 1 ATOM 54 C CB . LEU A 1 9 ? -6.238 3.435 -5.303 1.00 97.91 9 A 1 ATOM 55 C CG . LEU A 1 9 ? -4.963 3.892 -6.025 1.00 91.96 9 A 1 ATOM 56 C CD1 . LEU A 1 9 ? -5.158 3.819 -7.540 1.00 88.74 9 A 1 ATOM 57 C CD2 . LEU A 1 9 ? -4.594 5.323 -5.653 1.00 88.69 9 A 1 ATOM 58 N N . LEU A 1 10 ? -6.127 3.521 -2.090 1.00 98.11 10 A 1 ATOM 59 C CA . LEU A 1 10 ? -5.659 4.033 -0.806 1.00 98.15 10 A 1 ATOM 60 C C . LEU A 1 10 ? -5.110 2.906 0.071 1.00 98.40 10 A 1 ATOM 61 O O . LEU A 1 10 ? -4.022 3.034 0.623 1.00 98.28 10 A 1 ATOM 62 C CB . LEU A 1 10 ? -6.806 4.769 -0.098 1.00 97.92 10 A 1 ATOM 63 C CG . LEU A 1 10 ? -6.287 5.878 0.832 1.00 92.25 10 A 1 ATOM 64 C CD1 . LEU A 1 10 ? -6.375 7.238 0.136 1.00 88.49 10 A 1 ATOM 65 C CD2 . LEU A 1 10 ? -7.103 5.938 2.119 1.00 88.87 10 A 1 ATOM 66 N N . LEU A 1 11 ? -5.833 1.783 0.165 1.00 98.26 11 A 1 ATOM 67 C CA . LEU A 1 11 ? -5.396 0.606 0.918 1.00 98.25 11 A 1 ATOM 68 C C . LEU A 1 11 ? -4.093 0.038 0.361 1.00 98.46 11 A 1 ATOM 69 O O . LEU A 1 11 ? -3.208 -0.322 1.129 1.00 98.32 11 A 1 ATOM 70 C CB . LEU A 1 11 ? -6.493 -0.470 0.901 1.00 97.86 11 A 1 ATOM 71 C CG . LEU A 1 11 ? -6.957 -0.867 2.314 1.00 90.73 11 A 1 ATOM 72 C CD1 . LEU A 1 11 ? -8.396 -0.429 2.550 1.00 88.62 11 A 1 ATOM 73 C CD2 . LEU A 1 11 ? -6.858 -2.375 2.508 1.00 88.94 11 A 1 ATOM 74 N N . CYS A 1 12 ? -3.959 -0.021 -0.969 1.00 98.46 12 A 1 ATOM 75 C CA . CYS A 1 12 ? -2.743 -0.508 -1.618 1.00 98.48 12 A 1 ATOM 76 C C . CYS A 1 12 ? -1.547 0.414 -1.327 1.00 98.57 12 A 1 ATOM 77 O O . CYS A 1 12 ? -0.470 -0.066 -0.999 1.00 97.98 12 A 1 ATOM 78 C CB . CYS A 1 12 ? -3.016 -0.642 -3.120 1.00 98.06 12 A 1 ATOM 79 S SG . CYS A 1 12 ? -1.797 -1.751 -3.866 1.00 91.15 12 A 1 ATOM 80 N N . GLY A 1 13 ? -1.750 1.723 -1.374 1.00 98.12 13 A 1 ATOM 81 C CA . GLY A 1 13 ? -0.721 2.698 -1.018 1.00 98.09 13 A 1 ATOM 82 C C . GLY A 1 13 ? -0.294 2.590 0.446 1.00 98.35 13 A 1 ATOM 83 O O . GLY A 1 13 ? 0.899 2.528 0.738 1.00 97.95 13 A 1 ATOM 84 N N . VAL A 1 14 ? -1.254 2.500 1.364 1.00 98.39 14 A 1 ATOM 85 C CA . VAL A 1 14 ? -0.979 2.329 2.799 1.00 98.34 14 A 1 ATOM 86 C C . VAL A 1 14 ? -0.263 1.003 3.064 1.00 98.46 14 A 1 ATOM 87 O O . VAL A 1 14 ? 0.704 0.983 3.821 1.00 98.08 14 A 1 ATOM 88 C CB . VAL A 1 14 ? -2.276 2.440 3.622 1.00 97.86 14 A 1 ATOM 89 C CG1 . VAL A 1 14 ? -2.067 2.097 5.098 1.00 95.16 14 A 1 ATOM 90 C CG2 . VAL A 1 14 ? -2.832 3.863 3.570 1.00 95.52 14 A 1 ATOM 91 N N . ALA A 1 15 ? -0.685 -0.083 2.413 1.00 98.47 15 A 1 ATOM 92 C CA . ALA A 1 15 ? -0.036 -1.386 2.549 1.00 98.44 15 A 1 ATOM 93 C C . ALA A 1 15 ? 1.423 -1.351 2.067 1.00 98.49 15 A 1 ATOM 94 O O . ALA A 1 15 ? 2.291 -1.904 2.736 1.00 98.02 15 A 1 ATOM 95 C CB . ALA A 1 15 ? -0.853 -2.429 1.776 1.00 98.22 15 A 1 ATOM 96 N N . LEU A 1 16 ? 1.711 -0.661 0.954 1.00 98.06 16 A 1 ATOM 97 C CA . LEU A 1 16 ? 3.075 -0.474 0.456 1.00 97.96 16 A 1 ATOM 98 C C . LEU A 1 16 ? 3.943 0.294 1.451 1.00 98.14 16 A 1 ATOM 99 O O . LEU A 1 16 ? 5.053 -0.137 1.753 1.00 97.87 16 A 1 ATOM 100 C CB . LEU A 1 16 ? 3.013 0.261 -0.896 1.00 97.60 16 A 1 ATOM 101 C CG . LEU A 1 16 ? 3.312 -0.672 -2.076 1.00 90.30 16 A 1 ATOM 102 C CD1 . LEU A 1 16 ? 2.604 -0.192 -3.335 1.00 88.02 16 A 1 ATOM 103 C CD2 . LEU A 1 16 ? 4.818 -0.718 -2.344 1.00 88.47 16 A 1 ATOM 104 N N . VAL A 1 17 ? 3.420 1.391 1.999 1.00 98.12 17 A 1 ATOM 105 C CA . VAL A 1 17 ? 4.133 2.180 3.015 1.00 98.05 17 A 1 ATOM 106 C C . VAL A 1 17 ? 4.395 1.338 4.263 1.00 98.13 17 A 1 ATOM 107 O O . VAL A 1 17 ? 5.509 1.351 4.780 1.00 97.76 17 A 1 ATOM 108 C CB . VAL A 1 17 ? 3.348 3.456 3.361 1.00 97.71 17 A 1 ATOM 109 C CG1 . VAL A 1 17 ? 3.960 4.217 4.540 1.00 95.82 17 A 1 ATOM 110 C CG2 . VAL A 1 17 ? 3.328 4.411 2.168 1.00 95.69 17 A 1 ATOM 111 N N . PHE A 1 18 ? 3.398 0.564 4.714 1.00 97.55 18 A 1 ATOM 112 C CA . PHE A 1 18 ? 3.553 -0.334 5.857 1.00 97.35 18 A 1 ATOM 113 C C . PHE A 1 18 ? 4.611 -1.406 5.599 1.00 97.45 18 A 1 ATOM 114 O O . PHE A 1 18 ? 5.425 -1.686 6.471 1.00 97.13 18 A 1 ATOM 115 C CB . PHE A 1 18 ? 2.207 -0.987 6.191 1.00 96.97 18 A 1 ATOM 116 C CG . PHE A 1 18 ? 1.760 -0.691 7.601 1.00 94.31 18 A 1 ATOM 117 C CD1 . PHE A 1 18 ? 2.200 -1.495 8.663 1.00 90.30 18 A 1 ATOM 118 C CD2 . PHE A 1 18 ? 0.921 0.403 7.859 1.00 90.86 18 A 1 ATOM 119 C CE1 . PHE A 1 18 ? 1.804 -1.213 9.977 1.00 89.66 18 A 1 ATOM 120 C CE2 . PHE A 1 18 ? 0.522 0.689 9.172 1.00 90.19 18 A 1 ATOM 121 C CZ . PHE A 1 18 ? 0.962 -0.117 10.235 1.00 90.93 18 A 1 ATOM 122 N N . LEU A 1 19 ? 4.638 -1.979 4.387 1.00 97.54 19 A 1 ATOM 123 C CA . LEU A 1 19 ? 5.618 -2.993 4.002 1.00 97.24 19 A 1 ATOM 124 C C . LEU A 1 19 ? 7.044 -2.429 4.016 1.00 97.41 19 A 1 ATOM 125 O O . LEU A 1 19 ? 7.955 -3.073 4.528 1.00 97.06 19 A 1 ATOM 126 C CB . LEU A 1 19 ? 5.258 -3.528 2.610 1.00 96.87 19 A 1 ATOM 127 C CG . LEU A 1 19 ? 5.722 -4.978 2.411 1.00 88.45 19 A 1 ATOM 128 C CD1 . LEU A 1 19 ? 4.514 -5.916 2.378 1.00 86.78 19 A 1 ATOM 129 C CD2 . LEU A 1 19 ? 6.491 -5.131 1.102 1.00 87.20 19 A 1 ATOM 130 N N . VAL A 1 20 ? 7.228 -1.211 3.490 1.00 97.86 20 A 1 ATOM 131 C CA . VAL A 1 20 ? 8.519 -0.509 3.510 1.00 97.51 20 A 1 ATOM 132 C C . VAL A 1 20 ? 8.942 -0.192 4.942 1.00 97.49 20 A 1 ATOM 133 O O . VAL A 1 20 ? 10.102 -0.403 5.293 1.00 96.96 20 A 1 ATOM 134 C CB . VAL A 1 20 ? 8.450 0.768 2.656 1.00 97.10 20 A 1 ATOM 135 C CG1 . VAL A 1 20 ? 9.706 1.630 2.786 1.00 95.07 20 A 1 ATOM 136 C CG2 . VAL A 1 20 ? 8.292 0.416 1.176 1.00 94.95 20 A 1 ATOM 137 N N . LEU A 1 21 ? 8.011 0.259 5.790 1.00 97.58 21 A 1 ATOM 138 C CA . LEU A 1 21 ? 8.290 0.528 7.203 1.00 97.13 21 A 1 ATOM 139 C C . LEU A 1 21 ? 8.709 -0.747 7.939 1.00 96.97 21 A 1 ATOM 140 O O . LEU A 1 21 ? 9.692 -0.731 8.675 1.00 96.35 21 A 1 ATOM 141 C CB . LEU A 1 21 ? 7.057 1.153 7.877 1.00 96.91 21 A 1 ATOM 142 C CG . LEU A 1 21 ? 7.377 2.503 8.538 1.00 92.58 21 A 1 ATOM 143 C CD1 . LEU A 1 21 ? 6.799 3.657 7.722 1.00 87.45 21 A 1 ATOM 144 C CD2 . LEU A 1 21 ? 6.804 2.562 9.948 1.00 87.20 21 A 1 ATOM 145 N N . LEU A 1 22 ? 7.990 -1.855 7.715 1.00 97.70 22 A 1 ATOM 146 C CA . LEU A 1 22 ? 8.322 -3.152 8.311 1.00 97.17 22 A 1 ATOM 147 C C . LEU A 1 22 ? 9.689 -3.644 7.847 1.00 96.90 22 A 1 ATOM 148 O O . LEU A 1 22 ? 10.487 -4.071 8.676 1.00 95.96 22 A 1 ATOM 149 C CB . LEU A 1 22 ? 7.225 -4.172 7.973 1.00 96.75 22 A 1 ATOM 150 C CG . LEU A 1 22 ? 6.294 -4.438 9.164 1.00 92.47 22 A 1 ATOM 151 C CD1 . LEU A 1 22 ? 4.832 -4.310 8.766 1.00 87.08 22 A 1 ATOM 152 C CD2 . LEU A 1 22 ? 6.527 -5.850 9.709 1.00 85.71 22 A 1 ATOM 153 N N . GLN A 1 23 ? 10.005 -3.543 6.549 1.00 97.26 23 A 1 ATOM 154 C CA . GLN A 1 23 ? 11.331 -3.894 6.038 1.00 96.59 23 A 1 ATOM 155 C C . GLN A 1 23 ? 12.421 -3.011 6.642 1.00 96.37 23 A 1 ATOM 156 O O . GLN A 1 23 ? 13.463 -3.530 7.028 1.00 93.38 23 A 1 ATOM 157 C CB . GLN A 1 23 ? 11.376 -3.787 4.515 1.00 95.53 23 A 1 ATOM 158 C CG . GLN A 1 23 ? 10.909 -5.079 3.851 1.00 89.79 23 A 1 ATOM 159 C CD . GLN A 1 23 ? 11.272 -5.129 2.368 1.00 85.66 23 A 1 ATOM 160 O OE1 . GLN A 1 23 ? 11.658 -4.154 1.741 1.00 77.83 23 A 1 ATOM 161 N NE2 . GLN A 1 23 ? 11.174 -6.279 1.744 1.00 76.19 23 A 1 ATOM 162 N N . GLY A 1 24 ? 12.184 -1.708 6.768 1.00 95.56 24 A 1 ATOM 163 C CA . GLY A 1 24 ? 13.136 -0.792 7.391 1.00 94.60 24 A 1 ATOM 164 C C . GLY A 1 24 ? 13.373 -1.093 8.870 1.00 94.31 24 A 1 ATOM 165 O O . GLY A 1 24 ? 14.489 -0.921 9.356 1.00 91.26 24 A 1 ATOM 166 N N . THR A 1 25 ? 12.354 -1.582 9.587 1.00 95.18 25 A 1 ATOM 167 C CA . THR A 1 25 ? 12.483 -1.955 11.008 1.00 93.71 25 A 1 ATOM 168 C C . THR A 1 25 ? 13.141 -3.323 11.188 1.00 92.32 25 A 1 ATOM 169 O O . THR A 1 25 ? 13.789 -3.563 12.203 1.00 87.43 25 A 1 ATOM 170 C CB . THR A 1 25 ? 11.111 -1.957 11.695 1.00 91.20 25 A 1 ATOM 171 O OG1 . THR A 1 25 ? 10.402 -0.775 11.400 1.00 82.81 25 A 1 ATOM 172 C CG2 . THR A 1 25 ? 11.217 -2.022 13.212 1.00 79.96 25 A 1 ATOM 173 N N . GLN A 1 26 ? 12.963 -4.217 10.215 1.00 93.95 26 A 1 ATOM 174 C CA . GLN A 1 26 ? 13.490 -5.583 10.268 1.00 92.24 26 A 1 ATOM 175 C C . GLN A 1 26 ? 14.880 -5.707 9.623 1.00 90.35 26 A 1 ATOM 176 O O . GLN A 1 26 ? 15.517 -6.752 9.762 1.00 85.74 26 A 1 ATOM 177 C CB . GLN A 1 26 ? 12.459 -6.515 9.607 1.00 88.99 26 A 1 ATOM 178 C CG . GLN A 1 26 ? 12.672 -8.002 9.898 1.00 80.64 26 A 1 ATOM 179 C CD . GLN A 1 26 ? 12.271 -8.436 11.312 1.00 74.63 26 A 1 ATOM 180 O OE1 . GLN A 1 26 ? 11.768 -7.688 12.124 1.00 67.77 26 A 1 ATOM 181 N NE2 . GLN A 1 26 ? 12.468 -9.690 11.648 1.00 65.27 26 A 1 ATOM 182 N N . SER A 1 27 ? 15.343 -4.668 8.918 1.00 91.03 27 A 1 ATOM 183 C CA . SER A 1 27 ? 16.685 -4.635 8.304 1.00 88.66 27 A 1 ATOM 184 C C . SER A 1 27 ? 17.777 -4.435 9.349 1.00 83.79 27 A 1 ATOM 185 O O . SER A 1 27 ? 18.822 -5.099 9.236 1.00 74.00 27 A 1 ATOM 186 C CB . SER A 1 27 ? 16.777 -3.520 7.261 1.00 81.48 27 A 1 ATOM 187 O OG . SER A 1 27 ? 15.978 -3.817 6.145 1.00 71.81 27 A 1 ATOM 188 O OXT . SER A 1 27 ? 17.565 -3.598 10.262 1.00 71.07 27 A 1 #