# 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_spkb34862 # _entry.id spkb34862 # 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" "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" "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" "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 LYS 2 1 n ARG 3 1 n ALA 4 1 n PHE 5 1 n LEU 6 1 n SER 7 1 n ALA 8 1 n LEU 9 1 n SER 10 1 n VAL 11 1 n GLY 12 1 n LEU 13 1 n ALA 14 1 n ALA 15 1 n LEU 16 1 n PHE 17 1 n LEU 18 1 n THR 19 1 n GLY 20 1 n PRO 21 1 n ALA 22 1 n GLN 23 1 n ALA 24 # _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 @ 2025-07-13 01:36:38)" _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 91.30 _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 84.16 1 1 A LYS 2 2 88.18 1 2 A ARG 3 2 84.77 1 3 A ALA 4 2 97.49 1 4 A PHE 5 2 91.89 1 5 A LEU 6 2 94.76 1 6 A SER 7 2 95.28 1 7 A ALA 8 2 97.28 1 8 A LEU 9 2 92.95 1 9 A SER 10 2 94.84 1 10 A VAL 11 2 95.59 1 11 A GLY 12 2 96.36 1 12 A LEU 13 2 93.40 1 13 A ALA 14 2 96.52 1 14 A ALA 15 2 96.87 1 15 A LEU 16 2 93.04 1 16 A PHE 17 2 92.51 1 17 A LEU 18 2 92.35 1 18 A THR 19 2 91.19 1 19 A GLY 20 2 92.72 1 20 A PRO 21 2 91.90 1 21 A ALA 22 2 90.29 1 22 A GLN 23 2 81.42 1 23 A ALA 24 2 79.98 1 24 # _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 LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -16.043 -1.800 -5.440 1.00 90.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.021 -2.507 -4.640 1.00 91.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.206 -1.524 -3.810 1.00 92.30 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.470 -0.710 -4.359 1.00 87.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.080 -3.289 -5.557 1.00 86.02 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.800 -4.391 -6.300 1.00 82.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.721 -5.344 -7.379 1.00 77.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.402 -4.156 -8.668 1.00 65.42 1 A 1 ATOM 9 N N . LYS A 1 2 ? -14.359 -1.588 -2.491 1.00 95.45 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.645 -0.678 -1.597 1.00 95.41 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.567 -1.413 -0.805 1.00 95.91 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.387 -1.100 -0.900 1.00 95.43 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.628 -0.016 -0.630 1.00 93.97 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -15.664 0.844 -1.328 1.00 86.55 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -16.602 1.478 -0.324 1.00 84.35 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -17.660 2.314 -1.015 1.00 76.32 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -18.595 2.923 -0.037 1.00 70.20 2 A 1 ATOM 18 N N . ARG A 1 3 ? -13.007 -2.395 -0.009 1.00 94.40 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -12.075 -3.157 0.819 1.00 95.77 3 A 1 ATOM 20 C C . ARG A 1 3 ? -11.039 -3.869 -0.040 1.00 96.94 3 A 1 ATOM 21 O O . ARG A 1 3 ? -9.860 -3.922 0.310 1.00 95.29 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -12.822 -4.174 1.677 1.00 93.91 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -11.893 -4.837 2.683 1.00 87.86 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -12.601 -5.897 3.497 1.00 84.34 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -11.699 -6.481 4.491 1.00 76.33 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -10.745 -7.357 4.200 1.00 73.94 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -10.563 -7.760 2.961 1.00 67.66 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -9.964 -7.816 5.159 1.00 66.03 3 A 1 ATOM 29 N N . ALA A 1 4 ? -11.489 -4.413 -1.154 1.00 97.19 4 A 1 ATOM 30 C CA . ALA A 1 4 ? -10.586 -5.109 -2.064 1.00 97.65 4 A 1 ATOM 31 C C . ALA A 1 4 ? -9.491 -4.169 -2.550 1.00 97.92 4 A 1 ATOM 32 O O . ALA A 1 4 ? -8.316 -4.531 -2.601 1.00 97.34 4 A 1 ATOM 33 C CB . ALA A 1 4 ? -11.361 -5.664 -3.249 1.00 97.33 4 A 1 ATOM 34 N N . PHE A 1 5 ? -9.888 -2.944 -2.899 1.00 91.40 5 A 1 ATOM 35 C CA . PHE A 1 5 ? -8.942 -1.937 -3.356 1.00 92.23 5 A 1 ATOM 36 C C . PHE A 1 5 ? -7.951 -1.583 -2.257 1.00 94.89 5 A 1 ATOM 37 O O . PHE A 1 5 ? -6.744 -1.516 -2.490 1.00 95.06 5 A 1 ATOM 38 C CB . PHE A 1 5 ? -9.688 -0.684 -3.794 1.00 93.60 5 A 1 ATOM 39 C CG . PHE A 1 5 ? -8.758 0.411 -4.233 1.00 92.76 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? -8.161 0.368 -5.481 1.00 89.31 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? -8.477 1.471 -3.391 1.00 91.15 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? -7.296 1.371 -5.886 1.00 89.82 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? -7.608 2.480 -3.789 1.00 90.45 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? -7.020 2.426 -5.037 1.00 90.08 5 A 1 ATOM 45 N N . LEU A 1 6 ? -8.470 -1.352 -1.055 1.00 96.77 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -7.625 -1.002 0.084 1.00 96.93 6 A 1 ATOM 47 C C . LEU A 1 6 ? -6.675 -2.139 0.428 1.00 97.23 6 A 1 ATOM 48 O O . LEU A 1 6 ? -5.516 -1.912 0.778 1.00 97.30 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -8.498 -0.676 1.296 1.00 97.17 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -9.345 0.576 1.121 1.00 93.59 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -10.284 0.751 2.305 1.00 89.70 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -8.456 1.800 0.970 1.00 89.36 6 A 1 ATOM 53 N N . SER A 1 7 ? -7.176 -3.366 0.334 1.00 97.72 7 A 1 ATOM 54 C CA . SER A 1 7 ? -6.365 -4.543 0.622 1.00 97.48 7 A 1 ATOM 55 C C . SER A 1 7 ? -5.192 -4.630 -0.342 1.00 97.60 7 A 1 ATOM 56 O O . SER A 1 7 ? -4.046 -4.814 0.068 1.00 97.41 7 A 1 ATOM 57 C CB . SER A 1 7 ? -7.206 -5.811 0.515 1.00 97.05 7 A 1 ATOM 58 O OG . SER A 1 7 ? -6.418 -6.942 0.816 1.00 84.44 7 A 1 ATOM 59 N N . ALA A 1 8 ? -5.484 -4.484 -1.628 1.00 97.30 8 A 1 ATOM 60 C CA . ALA A 1 8 ? -4.445 -4.526 -2.649 1.00 97.39 8 A 1 ATOM 61 C C . ALA A 1 8 ? -3.461 -3.379 -2.461 1.00 97.56 8 A 1 ATOM 62 O O . ALA A 1 8 ? -2.253 -3.550 -2.627 1.00 96.87 8 A 1 ATOM 63 C CB . ALA A 1 8 ? -5.076 -4.449 -4.032 1.00 97.26 8 A 1 ATOM 64 N N . LEU A 1 9 ? -3.988 -2.213 -2.106 1.00 96.23 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -3.156 -1.039 -1.875 1.00 95.59 9 A 1 ATOM 66 C C . LEU A 1 9 ? -2.200 -1.277 -0.717 1.00 96.15 9 A 1 ATOM 67 O O . LEU A 1 9 ? -1.029 -0.897 -0.775 1.00 96.24 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -4.035 0.168 -1.571 1.00 95.39 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -3.251 1.456 -1.372 1.00 90.37 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -2.544 1.850 -2.656 1.00 86.47 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -4.173 2.569 -0.907 1.00 87.13 9 A 1 ATOM 72 N N . SER A 1 10 ? -2.706 -1.897 0.346 1.00 96.70 10 A 1 ATOM 73 C CA . SER A 1 10 ? -1.899 -2.190 1.523 1.00 96.64 10 A 1 ATOM 74 C C . SER A 1 10 ? -0.741 -3.111 1.170 1.00 96.80 10 A 1 ATOM 75 O O . SER A 1 10 ? 0.403 -2.867 1.554 1.00 96.71 10 A 1 ATOM 76 C CB . SER A 1 10 ? -2.754 -2.841 2.608 1.00 96.24 10 A 1 ATOM 77 O OG . SER A 1 10 ? -1.971 -3.107 3.751 1.00 85.98 10 A 1 ATOM 78 N N . VAL A 1 11 ? -1.037 -4.172 0.437 1.00 97.02 11 A 1 ATOM 79 C CA . VAL A 1 11 ? -0.010 -5.125 0.024 1.00 96.80 11 A 1 ATOM 80 C C . VAL A 1 11 ? 1.024 -4.445 -0.858 1.00 96.92 11 A 1 ATOM 81 O O . VAL A 1 11 ? 2.232 -4.623 -0.677 1.00 96.15 11 A 1 ATOM 82 C CB . VAL A 1 11 ? -0.633 -6.305 -0.728 1.00 96.18 11 A 1 ATOM 83 C CG1 . VAL A 1 11 ? 0.451 -7.242 -1.244 1.00 93.15 11 A 1 ATOM 84 C CG2 . VAL A 1 11 ? -1.594 -7.052 0.178 1.00 92.90 11 A 1 ATOM 85 N N . GLY A 1 12 ? 0.540 -3.662 -1.812 1.00 96.34 12 A 1 ATOM 86 C CA . GLY A 1 12 ? 1.439 -2.950 -2.709 1.00 95.99 12 A 1 ATOM 87 C C . GLY A 1 12 ? 2.311 -1.965 -1.961 1.00 96.58 12 A 1 ATOM 88 O O . GLY A 1 12 ? 3.495 -1.813 -2.268 1.00 96.52 12 A 1 ATOM 89 N N . LEU A 1 13 ? 1.731 -1.302 -0.972 1.00 95.93 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 2.460 -0.332 -0.164 1.00 95.87 13 A 1 ATOM 91 C C . LEU A 1 13 ? 3.603 -1.019 0.565 1.00 96.37 13 A 1 ATOM 92 O O . LEU A 1 13 ? 4.729 -0.518 0.591 1.00 96.27 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 1.512 0.334 0.834 1.00 95.43 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 2.116 1.519 1.582 1.00 91.40 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? 1.010 2.441 2.068 1.00 87.74 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 2.957 1.060 2.758 1.00 88.17 13 A 1 ATOM 97 N N . ALA A 1 14 ? 3.321 -2.163 1.180 1.00 96.79 14 A 1 ATOM 98 C CA . ALA A 1 14 ? 4.341 -2.910 1.907 1.00 96.62 14 A 1 ATOM 99 C C . ALA A 1 14 ? 5.465 -3.336 0.974 1.00 96.99 14 A 1 ATOM 100 O O . ALA A 1 14 ? 6.644 -3.227 1.317 1.00 96.05 14 A 1 ATOM 101 C CB . ALA A 1 14 ? 3.721 -4.136 2.569 1.00 96.14 14 A 1 ATOM 102 N N . ALA A 1 15 ? 5.100 -3.824 -0.201 1.00 97.33 15 A 1 ATOM 103 C CA . ALA A 1 15 ? 6.087 -4.263 -1.179 1.00 97.11 15 A 1 ATOM 104 C C . ALA A 1 15 ? 6.967 -3.102 -1.619 1.00 97.29 15 A 1 ATOM 105 O O . ALA A 1 15 ? 8.191 -3.223 -1.671 1.00 95.99 15 A 1 ATOM 106 C CB . ALA A 1 15 ? 5.385 -4.875 -2.383 1.00 96.62 15 A 1 ATOM 107 N N . LEU A 1 16 ? 6.342 -1.973 -1.924 1.00 95.99 16 A 1 ATOM 108 C CA . LEU A 1 16 ? 7.073 -0.787 -2.355 1.00 95.56 16 A 1 ATOM 109 C C . LEU A 1 16 ? 7.954 -0.255 -1.235 1.00 95.95 16 A 1 ATOM 110 O O . LEU A 1 16 ? 9.081 0.183 -1.465 1.00 95.29 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 6.097 0.295 -2.796 1.00 95.26 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 6.777 1.541 -3.343 1.00 91.48 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? 7.574 1.202 -4.592 1.00 87.37 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 5.748 2.615 -3.647 1.00 87.41 16 A 1 ATOM 115 N N . PHE A 1 17 ? 7.434 -0.294 -0.012 1.00 96.05 17 A 1 ATOM 116 C CA . PHE A 1 17 ? 8.158 0.179 1.157 1.00 95.46 17 A 1 ATOM 117 C C . PHE A 1 17 ? 9.457 -0.595 1.328 1.00 95.88 17 A 1 ATOM 118 O O . PHE A 1 17 ? 10.519 -0.019 1.566 1.00 94.99 17 A 1 ATOM 119 C CB . PHE A 1 17 ? 7.296 0.013 2.404 1.00 95.08 17 A 1 ATOM 120 C CG . PHE A 1 17 ? 7.927 0.615 3.629 1.00 93.30 17 A 1 ATOM 121 C CD1 . PHE A 1 17 ? 8.825 -0.110 4.389 1.00 89.30 17 A 1 ATOM 122 C CD2 . PHE A 1 17 ? 7.621 1.909 4.009 1.00 89.83 17 A 1 ATOM 123 C CE1 . PHE A 1 17 ? 9.419 0.446 5.510 1.00 89.00 17 A 1 ATOM 124 C CE2 . PHE A 1 17 ? 8.207 2.470 5.131 1.00 88.97 17 A 1 ATOM 125 C CZ . PHE A 1 17 ? 9.108 1.740 5.880 1.00 89.78 17 A 1 ATOM 126 N N . LEU A 1 18 ? 9.374 -1.912 1.209 1.00 95.66 18 A 1 ATOM 127 C CA . LEU A 1 18 ? 10.544 -2.767 1.356 1.00 95.27 18 A 1 ATOM 128 C C . LEU A 1 18 ? 11.510 -2.574 0.199 1.00 95.62 18 A 1 ATOM 129 O O . LEU A 1 18 ? 12.722 -2.721 0.358 1.00 94.19 18 A 1 ATOM 130 C CB . LEU A 1 18 ? 10.111 -4.230 1.428 1.00 94.73 18 A 1 ATOM 131 C CG . LEU A 1 18 ? 9.295 -4.567 2.671 1.00 91.13 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? 8.771 -5.990 2.583 1.00 86.36 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? 10.137 -4.382 3.922 1.00 85.83 18 A 1 ATOM 134 N N . THR A 1 19 ? 10.973 -2.230 -0.961 1.00 95.35 19 A 1 ATOM 135 C CA . THR A 1 19 ? 11.791 -2.020 -2.151 1.00 94.33 19 A 1 ATOM 136 C C . THR A 1 19 ? 12.829 -0.924 -1.920 1.00 94.41 19 A 1 ATOM 137 O O . THR A 1 19 ? 13.982 -1.054 -2.329 1.00 91.02 19 A 1 ATOM 138 C CB . THR A 1 19 ? 10.924 -1.639 -3.350 1.00 92.66 19 A 1 ATOM 139 O OG1 . THR A 1 19 ? 9.999 -2.691 -3.619 1.00 85.98 19 A 1 ATOM 140 C CG2 . THR A 1 19 ? 11.779 -1.414 -4.585 1.00 84.57 19 A 1 ATOM 141 N N . GLY A 1 20 ? 12.426 0.154 -1.252 1.00 93.51 20 A 1 ATOM 142 C CA . GLY A 1 20 ? 13.346 1.250 -0.990 1.00 92.37 20 A 1 ATOM 143 C C . GLY A 1 20 ? 12.674 2.466 -0.394 1.00 93.08 20 A 1 ATOM 144 O O . GLY A 1 20 ? 12.912 2.801 0.768 1.00 91.93 20 A 1 ATOM 145 N N . PRO A 1 21 ? 11.829 3.161 -1.161 1.00 94.42 21 A 1 ATOM 146 C CA . PRO A 1 21 ? 11.159 4.382 -0.711 1.00 93.52 21 A 1 ATOM 147 C C . PRO A 1 21 ? 10.221 4.134 0.459 1.00 93.50 21 A 1 ATOM 148 O O . PRO A 1 21 ? 9.436 3.184 0.449 1.00 90.30 21 A 1 ATOM 149 C CB . PRO A 1 21 ? 10.377 4.843 -1.940 1.00 90.81 21 A 1 ATOM 150 C CG . PRO A 1 21 ? 10.188 3.611 -2.752 1.00 88.60 21 A 1 ATOM 151 C CD . PRO A 1 21 ? 11.426 2.784 -2.518 1.00 92.13 21 A 1 ATOM 152 N N . ALA A 1 22 ? 10.302 4.983 1.477 1.00 91.31 22 A 1 ATOM 153 C CA . ALA A 1 22 ? 9.451 4.862 2.651 1.00 90.84 22 A 1 ATOM 154 C C . ALA A 1 22 ? 8.117 5.549 2.401 1.00 91.64 22 A 1 ATOM 155 O O . ALA A 1 22 ? 7.920 6.708 2.759 1.00 89.13 22 A 1 ATOM 156 C CB . ALA A 1 22 ? 10.139 5.474 3.866 1.00 88.51 22 A 1 ATOM 157 N N . GLN A 1 23 ? 7.211 4.819 1.776 1.00 91.31 23 A 1 ATOM 158 C CA . GLN A 1 23 ? 5.887 5.358 1.470 1.00 89.92 23 A 1 ATOM 159 C C . GLN A 1 23 ? 5.026 5.416 2.721 1.00 89.25 23 A 1 ATOM 160 O O . GLN A 1 23 ? 4.853 4.412 3.411 1.00 85.50 23 A 1 ATOM 161 C CB . GLN A 1 23 ? 5.210 4.498 0.412 1.00 87.06 23 A 1 ATOM 162 C CG . GLN A 1 23 ? 3.886 5.079 -0.036 1.00 79.48 23 A 1 ATOM 163 C CD . GLN A 1 23 ? 3.248 4.247 -1.126 1.00 74.99 23 A 1 ATOM 164 O OE1 . GLN A 1 23 ? 3.658 3.125 -1.383 1.00 69.52 23 A 1 ATOM 165 N NE2 . GLN A 1 23 ? 2.231 4.788 -1.775 1.00 65.76 23 A 1 ATOM 166 N N . ALA A 1 24 ? 4.496 6.608 3.005 1.00 85.95 24 A 1 ATOM 167 C CA . ALA A 1 24 ? 3.666 6.793 4.190 1.00 84.20 24 A 1 ATOM 168 C C . ALA A 1 24 ? 2.262 7.224 3.793 1.00 81.58 24 A 1 ATOM 169 O O . ALA A 1 24 ? 1.307 6.464 4.029 1.00 77.23 24 A 1 ATOM 170 C CB . ALA A 1 24 ? 4.292 7.834 5.112 1.00 78.86 24 A 1 ATOM 171 O OXT . ALA A 1 24 ? 2.103 8.314 3.240 1.00 72.05 24 A 1 #