# 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_spkb26558 # _entry.id spkb26558 # 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 "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 MET 2 1 n LYS 3 1 n LEU 4 1 n SER 5 1 n VAL 6 1 n SER 7 1 n PHE 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n MET 13 1 n LEU 14 1 n LEU 15 1 n PRO 16 1 n PHE 17 1 n ILE 18 1 n THR 19 1 n GLY 20 # _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 @ 2025-07-11 22:08:44)" _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 93.44 _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 87.20 1 1 A MET 2 2 87.22 1 2 A LYS 3 2 88.61 1 3 A LEU 4 2 88.90 1 4 A SER 5 2 95.15 1 5 A VAL 6 2 96.47 1 6 A SER 7 2 95.95 1 7 A PHE 8 2 95.07 1 8 A LEU 9 2 94.68 1 9 A LEU 10 2 94.52 1 10 A LEU 11 2 94.16 1 11 A LEU 12 2 94.97 1 12 A MET 13 2 93.22 1 13 A LEU 14 2 96.27 1 14 A LEU 15 2 95.46 1 15 A PRO 16 2 97.47 1 16 A PHE 17 2 95.33 1 17 A ILE 18 2 94.88 1 18 A THR 19 2 93.79 1 19 A GLY 20 2 89.03 1 20 # _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 LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n PHE . 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 LEU . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n GLY . 20 A 20 # _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 ? -13.398 0.927 8.771 1.00 91.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.761 1.735 7.714 1.00 94.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.767 0.891 6.910 1.00 94.61 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.558 1.025 7.068 1.00 91.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.032 2.939 8.311 1.00 90.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.947 3.896 9.047 1.00 84.11 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.046 5.275 9.763 1.00 79.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.385 6.172 10.532 1.00 70.86 1 A 1 ATOM 9 N N . MET A 1 2 ? -12.292 0.022 6.065 1.00 93.27 2 A 1 ATOM 10 C CA . MET A 1 2 ? -11.444 -0.864 5.263 1.00 94.52 2 A 1 ATOM 11 C C . MET A 1 2 ? -10.622 -0.094 4.230 1.00 95.31 2 A 1 ATOM 12 O O . MET A 1 2 ? -9.491 -0.467 3.932 1.00 92.58 2 A 1 ATOM 13 C CB . MET A 1 2 ? -12.307 -1.919 4.558 1.00 91.18 2 A 1 ATOM 14 C CG . MET A 1 2 ? -12.996 -2.874 5.517 1.00 83.04 2 A 1 ATOM 15 S SD . MET A 1 2 ? -13.909 -4.188 4.694 1.00 78.16 2 A 1 ATOM 16 C CE . MET A 1 2 ? -15.186 -3.246 3.877 1.00 69.68 2 A 1 ATOM 17 N N . LYS A 1 3 ? -11.200 0.995 3.709 1.00 94.89 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -10.535 1.817 2.697 1.00 95.92 3 A 1 ATOM 19 C C . LYS A 1 3 ? -9.233 2.419 3.223 1.00 96.18 3 A 1 ATOM 20 O O . LYS A 1 3 ? -8.234 2.478 2.505 1.00 95.34 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -11.492 2.913 2.223 1.00 94.45 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -11.029 3.636 0.961 1.00 87.02 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -11.075 2.728 -0.256 1.00 84.96 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -10.715 3.480 -1.518 1.00 77.88 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -10.786 2.615 -2.724 1.00 70.82 3 A 1 ATOM 26 N N . LEU A 1 4 ? -9.238 2.858 4.479 1.00 93.73 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -8.055 3.438 5.109 1.00 94.33 4 A 1 ATOM 28 C C . LEU A 1 4 ? -6.946 2.397 5.261 1.00 95.66 4 A 1 ATOM 29 O O . LEU A 1 4 ? -5.771 2.702 5.050 1.00 94.77 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -8.430 4.038 6.468 1.00 92.92 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -7.286 4.744 7.194 1.00 83.19 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -6.768 5.924 6.381 1.00 78.92 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -7.762 5.220 8.561 1.00 77.68 4 A 1 ATOM 34 N N . SER A 1 5 ? -7.324 1.170 5.599 1.00 96.81 5 A 1 ATOM 35 C CA . SER A 1 5 ? -6.372 0.073 5.748 1.00 97.26 5 A 1 ATOM 36 C C . SER A 1 5 ? -5.663 -0.224 4.428 1.00 97.53 5 A 1 ATOM 37 O O . SER A 1 5 ? -4.445 -0.409 4.398 1.00 96.97 5 A 1 ATOM 38 C CB . SER A 1 5 ? -7.077 -1.183 6.256 1.00 96.48 5 A 1 ATOM 39 O OG . SER A 1 5 ? -7.701 -0.936 7.499 1.00 85.85 5 A 1 ATOM 40 N N . VAL A 1 6 ? -6.424 -0.238 3.347 1.00 97.61 6 A 1 ATOM 41 C CA . VAL A 1 6 ? -5.869 -0.466 2.013 1.00 97.63 6 A 1 ATOM 42 C C . VAL A 1 6 ? -4.954 0.692 1.611 1.00 97.72 6 A 1 ATOM 43 O O . VAL A 1 6 ? -3.864 0.475 1.074 1.00 97.40 6 A 1 ATOM 44 C CB . VAL A 1 6 ? -6.985 -0.667 0.970 1.00 97.25 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? -6.405 -0.813 -0.433 1.00 93.93 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? -7.810 -1.903 1.305 1.00 93.74 6 A 1 ATOM 47 N N . SER A 1 7 ? -5.371 1.911 1.903 1.00 97.42 7 A 1 ATOM 48 C CA . SER A 1 7 ? -4.583 3.104 1.594 1.00 97.27 7 A 1 ATOM 49 C C . SER A 1 7 ? -3.242 3.084 2.327 1.00 97.50 7 A 1 ATOM 50 O O . SER A 1 7 ? -2.208 3.413 1.748 1.00 97.03 7 A 1 ATOM 51 C CB . SER A 1 7 ? -5.356 4.360 1.966 1.00 96.70 7 A 1 ATOM 52 O OG . SER A 1 7 ? -6.571 4.426 1.247 1.00 89.75 7 A 1 ATOM 53 N N . PHE A 1 8 ? -3.274 2.681 3.589 1.00 96.97 8 A 1 ATOM 54 C CA . PHE A 1 8 ? -2.056 2.568 4.390 1.00 97.02 8 A 1 ATOM 55 C C . PHE A 1 8 ? -1.115 1.514 3.810 1.00 97.32 8 A 1 ATOM 56 O O . PHE A 1 8 ? 0.094 1.733 3.725 1.00 97.13 8 A 1 ATOM 57 C CB . PHE A 1 8 ? -2.406 2.224 5.839 1.00 96.91 8 A 1 ATOM 58 C CG . PHE A 1 8 ? -1.189 2.046 6.714 1.00 95.90 8 A 1 ATOM 59 C CD1 . PHE A 1 8 ? -0.467 3.150 7.154 1.00 92.56 8 A 1 ATOM 60 C CD2 . PHE A 1 8 ? -0.765 0.774 7.067 1.00 93.62 8 A 1 ATOM 61 C CE1 . PHE A 1 8 ? 0.666 2.994 7.944 1.00 92.48 8 A 1 ATOM 62 C CE2 . PHE A 1 8 ? 0.375 0.606 7.858 1.00 92.45 8 A 1 ATOM 63 C CZ . PHE A 1 8 ? 1.088 1.715 8.295 1.00 93.39 8 A 1 ATOM 64 N N . LEU A 1 9 ? -1.675 0.379 3.403 1.00 97.41 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -0.889 -0.702 2.813 1.00 97.23 9 A 1 ATOM 66 C C . LEU A 1 9 ? -0.208 -0.246 1.523 1.00 97.31 9 A 1 ATOM 67 O O . LEU A 1 9 ? 0.970 -0.539 1.303 1.00 97.15 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -1.789 -1.914 2.544 1.00 97.15 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -1.062 -3.153 2.013 1.00 91.67 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -0.026 -3.659 3.005 1.00 89.11 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -2.067 -4.250 1.698 1.00 90.44 9 A 1 ATOM 72 N N . LEU A 1 10 ? -0.939 0.486 0.690 1.00 97.38 10 A 1 ATOM 73 C CA . LEU A 1 10 ? -0.397 1.010 -0.561 1.00 97.05 10 A 1 ATOM 74 C C . LEU A 1 10 ? 0.724 2.012 -0.292 1.00 97.15 10 A 1 ATOM 75 O O . LEU A 1 10 ? 1.759 1.988 -0.963 1.00 96.99 10 A 1 ATOM 76 C CB . LEU A 1 10 ? -1.510 1.670 -1.383 1.00 96.86 10 A 1 ATOM 77 C CG . LEU A 1 10 ? -2.559 0.698 -1.931 1.00 91.06 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -3.697 1.477 -2.577 1.00 89.02 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? -1.949 -0.264 -2.946 1.00 90.61 10 A 1 ATOM 80 N N . LEU A 1 11 ? 0.527 2.870 0.686 1.00 97.30 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 1.534 3.856 1.070 1.00 96.89 11 A 1 ATOM 82 C C . LEU A 1 11 ? 2.793 3.169 1.590 1.00 97.04 11 A 1 ATOM 83 O O . LEU A 1 11 ? 3.909 3.587 1.278 1.00 96.69 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 0.960 4.798 2.132 1.00 96.57 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 1.906 5.920 2.558 1.00 90.91 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 2.241 6.836 1.386 1.00 88.53 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 1.279 6.724 3.688 1.00 89.36 11 A 1 ATOM 88 N N . LEU A 1 12 ? 2.614 2.117 2.372 1.00 97.15 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 3.727 1.340 2.917 1.00 96.88 12 A 1 ATOM 90 C C . LEU A 1 12 ? 4.535 0.687 1.795 1.00 97.15 12 A 1 ATOM 91 O O . LEU A 1 12 ? 5.765 0.640 1.860 1.00 96.86 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 3.188 0.276 3.883 1.00 96.48 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 4.262 -0.532 4.619 1.00 93.69 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 5.115 0.367 5.512 1.00 90.64 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 3.608 -1.624 5.455 1.00 90.92 12 A 1 ATOM 96 N N . MET A 1 13 ? 3.838 0.205 0.763 1.00 97.20 13 A 1 ATOM 97 C CA . MET A 1 13 ? 4.489 -0.390 -0.400 1.00 96.81 13 A 1 ATOM 98 C C . MET A 1 13 ? 5.280 0.651 -1.192 1.00 97.31 13 A 1 ATOM 99 O O . MET A 1 13 ? 6.358 0.360 -1.710 1.00 96.45 13 A 1 ATOM 100 C CB . MET A 1 13 ? 3.438 -1.048 -1.312 1.00 96.24 13 A 1 ATOM 101 C CG . MET A 1 13 ? 2.838 -2.318 -0.699 1.00 94.61 13 A 1 ATOM 102 S SD . MET A 1 13 ? 4.010 -3.671 -0.653 1.00 86.36 13 A 1 ATOM 103 C CE . MET A 1 13 ? 2.993 -4.960 0.055 1.00 80.76 13 A 1 ATOM 104 N N . LEU A 1 14 ? 4.745 1.866 -1.270 1.00 97.54 14 A 1 ATOM 105 C CA . LEU A 1 14 ? 5.382 2.945 -2.020 1.00 97.59 14 A 1 ATOM 106 C C . LEU A 1 14 ? 6.509 3.621 -1.243 1.00 97.91 14 A 1 ATOM 107 O O . LEU A 1 14 ? 7.406 4.214 -1.851 1.00 97.39 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 4.331 3.989 -2.420 1.00 97.32 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 3.271 3.489 -3.407 1.00 95.95 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 2.183 4.538 -3.576 1.00 93.20 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? 3.893 3.162 -4.759 1.00 93.25 14 A 1 ATOM 112 N N . LEU A 1 15 ? 6.470 3.541 0.074 1.00 97.93 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 7.462 4.171 0.947 1.00 97.76 15 A 1 ATOM 114 C C . LEU A 1 15 ? 8.911 3.805 0.587 1.00 97.99 15 A 1 ATOM 115 O O . LEU A 1 15 ? 9.739 4.707 0.430 1.00 97.61 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 7.142 3.845 2.413 1.00 97.29 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 8.050 4.511 3.448 1.00 94.33 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 7.883 6.028 3.422 1.00 90.04 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 7.732 3.973 4.837 1.00 90.70 15 A 1 ATOM 120 N N . PRO A 1 16 ? 9.264 2.525 0.443 1.00 97.95 16 A 1 ATOM 121 C CA . PRO A 1 16 ? 10.648 2.161 0.095 1.00 97.75 16 A 1 ATOM 122 C C . PRO A 1 16 ? 11.065 2.649 -1.292 1.00 97.92 16 A 1 ATOM 123 O O . PRO A 1 16 ? 12.245 2.931 -1.512 1.00 97.19 16 A 1 ATOM 124 C CB . PRO A 1 16 ? 10.658 0.627 0.166 1.00 97.05 16 A 1 ATOM 125 C CG . PRO A 1 16 ? 9.240 0.226 -0.018 1.00 96.71 16 A 1 ATOM 126 C CD . PRO A 1 16 ? 8.442 1.327 0.632 1.00 97.72 16 A 1 ATOM 127 N N . PHE A 1 17 ? 10.114 2.769 -2.212 1.00 97.97 17 A 1 ATOM 128 C CA . PHE A 1 17 ? 10.403 3.238 -3.563 1.00 97.82 17 A 1 ATOM 129 C C . PHE A 1 17 ? 10.730 4.724 -3.591 1.00 97.92 17 A 1 ATOM 130 O O . PHE A 1 17 ? 11.592 5.152 -4.361 1.00 96.90 17 A 1 ATOM 131 C CB . PHE A 1 17 ? 9.223 2.946 -4.491 1.00 97.32 17 A 1 ATOM 132 C CG . PHE A 1 17 ? 8.972 1.469 -4.701 1.00 96.51 17 A 1 ATOM 133 C CD1 . PHE A 1 17 ? 9.789 0.731 -5.548 1.00 92.65 17 A 1 ATOM 134 C CD2 . PHE A 1 17 ? 7.926 0.834 -4.050 1.00 93.05 17 A 1 ATOM 135 C CE1 . PHE A 1 17 ? 9.564 -0.623 -5.750 1.00 92.39 17 A 1 ATOM 136 C CE2 . PHE A 1 17 ? 7.697 -0.525 -4.244 1.00 92.56 17 A 1 ATOM 137 C CZ . PHE A 1 17 ? 8.518 -1.250 -5.095 1.00 93.55 17 A 1 ATOM 138 N N . ILE A 1 18 ? 10.059 5.513 -2.758 1.00 97.34 18 A 1 ATOM 139 C CA . ILE A 1 18 ? 10.267 6.961 -2.715 1.00 96.89 18 A 1 ATOM 140 C C . ILE A 1 18 ? 11.399 7.362 -1.769 1.00 97.01 18 A 1 ATOM 141 O O . ILE A 1 18 ? 11.919 8.473 -1.861 1.00 96.35 18 A 1 ATOM 142 C CB . ILE A 1 18 ? 8.964 7.698 -2.344 1.00 96.10 18 A 1 ATOM 143 C CG1 . ILE A 1 18 ? 8.467 7.297 -0.950 1.00 93.62 18 A 1 ATOM 144 C CG2 . ILE A 1 18 ? 7.896 7.427 -3.399 1.00 91.60 18 A 1 ATOM 145 C CD1 . ILE A 1 18 ? 7.262 8.104 -0.475 1.00 90.09 18 A 1 ATOM 146 N N . THR A 1 19 ? 11.771 6.486 -0.847 1.00 97.32 19 A 1 ATOM 147 C CA . THR A 1 19 ? 12.829 6.766 0.130 1.00 96.64 19 A 1 ATOM 148 C C . THR A 1 19 ? 14.074 5.909 -0.098 1.00 95.67 19 A 1 ATOM 149 O O . THR A 1 19 ? 15.050 6.030 0.650 1.00 91.56 19 A 1 ATOM 150 C CB . THR A 1 19 ? 12.333 6.562 1.578 1.00 95.07 19 A 1 ATOM 151 O OG1 . THR A 1 19 ? 11.986 5.204 1.807 1.00 90.60 19 A 1 ATOM 152 C CG2 . THR A 1 19 ? 11.134 7.441 1.890 1.00 89.68 19 A 1 ATOM 153 N N . GLY A 1 20 ? 14.037 5.067 -1.110 1.00 94.52 20 A 1 ATOM 154 C CA . GLY A 1 20 ? 15.154 4.182 -1.420 1.00 92.03 20 A 1 ATOM 155 C C . GLY A 1 20 ? 16.226 4.874 -2.244 1.00 87.75 20 A 1 ATOM 156 O O . GLY A 1 20 ? 17.418 4.675 -1.958 1.00 82.35 20 A 1 ATOM 157 O OXT . GLY A 1 20 ? 15.897 5.581 -3.198 1.00 88.50 20 A 1 #