# 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_spkb15079 # _entry.id spkb15079 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 ASP 2 1 n TRP 3 1 n GLN 4 1 n GLN 5 1 n LEU 6 1 n TRP 7 1 n LEU 8 1 n ALA 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n MET 14 1 n THR 15 1 n VAL 16 1 n SER 17 1 n GLY 18 # _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 @ 2025-07-07 03:57:59)" _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 89.11 _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 81.64 1 1 A ASP 2 2 88.09 1 2 A TRP 3 2 91.45 1 3 A GLN 4 2 90.31 1 4 A GLN 5 2 89.81 1 5 A LEU 6 2 91.82 1 6 A TRP 7 2 91.83 1 7 A LEU 8 2 93.05 1 8 A ALA 9 2 95.55 1 9 A PHE 10 2 91.92 1 10 A LEU 11 2 93.06 1 11 A LEU 12 2 91.93 1 12 A PRO 13 2 93.33 1 13 A MET 14 2 87.18 1 14 A THR 15 2 87.62 1 15 A VAL 16 2 84.70 1 16 A SER 17 2 77.30 1 17 A GLY 18 2 70.69 1 18 # _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 ASP . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLY . 18 A 18 # _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 ? 1.165 9.739 7.767 1.00 89.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.557 8.327 7.919 1.00 90.55 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.415 7.519 8.537 1.00 91.65 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.375 7.299 9.744 1.00 88.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.793 8.227 8.806 1.00 84.25 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.605 6.969 8.521 1.00 76.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.243 7.014 9.275 1.00 69.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.879 6.275 10.854 1.00 62.53 1 A 1 ATOM 9 N N . ASP A 1 2 ? -0.504 7.113 7.689 1.00 91.77 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -1.652 6.338 8.161 1.00 94.10 2 A 1 ATOM 11 C C . ASP A 1 2 ? -1.595 4.903 7.646 1.00 95.23 2 A 1 ATOM 12 O O . ASP A 1 2 ? -0.909 4.611 6.668 1.00 93.82 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -2.941 7.003 7.687 1.00 90.30 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -3.179 8.331 8.376 1.00 82.58 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -2.752 8.486 9.529 1.00 79.77 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -3.801 9.204 7.750 1.00 77.17 2 A 1 ATOM 17 N N . TRP A 1 3 ? -2.345 4.029 8.306 1.00 95.63 3 A 1 ATOM 18 C CA . TRP A 1 3 ? -2.386 2.623 7.918 1.00 95.87 3 A 1 ATOM 19 C C . TRP A 1 3 ? -3.097 2.463 6.577 1.00 96.47 3 A 1 ATOM 20 O O . TRP A 1 3 ? -2.685 1.678 5.730 1.00 95.77 3 A 1 ATOM 21 C CB . TRP A 1 3 ? -3.126 1.817 8.990 1.00 94.63 3 A 1 ATOM 22 C CG . TRP A 1 3 ? -2.254 0.796 9.669 1.00 92.49 3 A 1 ATOM 23 C CD1 . TRP A 1 3 ? -2.267 0.472 10.993 1.00 90.09 3 A 1 ATOM 24 C CD2 . TRP A 1 3 ? -1.262 -0.058 9.075 1.00 91.08 3 A 1 ATOM 25 N NE1 . TRP A 1 3 ? -1.351 -0.520 11.251 1.00 89.17 3 A 1 ATOM 26 C CE2 . TRP A 1 3 ? -0.714 -0.873 10.094 1.00 90.67 3 A 1 ATOM 27 C CE3 . TRP A 1 3 ? -0.770 -0.224 7.772 1.00 88.35 3 A 1 ATOM 28 C CZ2 . TRP A 1 3 ? 0.285 -1.819 9.843 1.00 88.26 3 A 1 ATOM 29 C CZ3 . TRP A 1 3 ? 0.223 -1.167 7.526 1.00 86.38 3 A 1 ATOM 30 C CH2 . TRP A 1 3 ? 0.735 -1.952 8.549 1.00 85.43 3 A 1 ATOM 31 N N . GLN A 1 4 ? -4.171 3.231 6.399 1.00 95.29 4 A 1 ATOM 32 C CA . GLN A 1 4 ? -4.954 3.187 5.163 1.00 95.90 4 A 1 ATOM 33 C C . GLN A 1 4 ? -4.119 3.622 3.960 1.00 96.50 4 A 1 ATOM 34 O O . GLN A 1 4 ? -4.207 3.025 2.888 1.00 95.49 4 A 1 ATOM 35 C CB . GLN A 1 4 ? -6.187 4.084 5.309 1.00 94.80 4 A 1 ATOM 36 C CG . GLN A 1 4 ? -5.834 5.553 5.528 1.00 89.65 4 A 1 ATOM 37 C CD . GLN A 1 4 ? -6.818 6.227 6.472 1.00 86.02 4 A 1 ATOM 38 O OE1 . GLN A 1 4 ? -7.990 6.402 6.144 1.00 80.79 4 A 1 ATOM 39 N NE2 . GLN A 1 4 ? -6.360 6.592 7.649 1.00 78.32 4 A 1 ATOM 40 N N . GLN A 1 5 ? -3.323 4.653 4.133 1.00 95.35 5 A 1 ATOM 41 C CA . GLN A 1 5 ? -2.476 5.166 3.053 1.00 95.77 5 A 1 ATOM 42 C C . GLN A 1 5 ? -1.325 4.208 2.768 1.00 96.15 5 A 1 ATOM 43 O O . GLN A 1 5 ? -0.951 3.997 1.617 1.00 94.85 5 A 1 ATOM 44 C CB . GLN A 1 5 ? -1.937 6.545 3.430 1.00 94.95 5 A 1 ATOM 45 C CG . GLN A 1 5 ? -1.740 7.426 2.204 1.00 89.31 5 A 1 ATOM 46 C CD . GLN A 1 5 ? -0.609 8.416 2.384 1.00 84.59 5 A 1 ATOM 47 O OE1 . GLN A 1 5 ? -0.679 9.342 3.181 1.00 79.84 5 A 1 ATOM 48 N NE2 . GLN A 1 5 ? 0.453 8.234 1.631 1.00 77.51 5 A 1 ATOM 49 N N . LEU A 1 6 ? -0.778 3.643 3.807 1.00 95.17 6 A 1 ATOM 50 C CA . LEU A 1 6 ? 0.319 2.687 3.670 1.00 94.88 6 A 1 ATOM 51 C C . LEU A 1 6 ? -0.131 1.467 2.874 1.00 95.48 6 A 1 ATOM 52 O O . LEU A 1 6 ? 0.596 0.968 2.019 1.00 94.99 6 A 1 ATOM 53 C CB . LEU A 1 6 ? 0.806 2.259 5.055 1.00 94.06 6 A 1 ATOM 54 C CG . LEU A 1 6 ? 2.148 2.858 5.477 1.00 88.21 6 A 1 ATOM 55 C CD1 . LEU A 1 6 ? 2.295 2.814 6.997 1.00 86.37 6 A 1 ATOM 56 C CD2 . LEU A 1 6 ? 3.296 2.089 4.830 1.00 85.44 6 A 1 ATOM 57 N N . TRP A 1 7 ? -1.345 1.009 3.155 1.00 94.74 7 A 1 ATOM 58 C CA . TRP A 1 7 ? -1.906 -0.152 2.466 1.00 94.90 7 A 1 ATOM 59 C C . TRP A 1 7 ? -2.213 0.182 1.013 1.00 95.68 7 A 1 ATOM 60 O O . TRP A 1 7 ? -1.936 -0.607 0.113 1.00 95.30 7 A 1 ATOM 61 C CB . TRP A 1 7 ? -3.166 -0.603 3.203 1.00 94.52 7 A 1 ATOM 62 C CG . TRP A 1 7 ? -3.652 -1.947 2.755 1.00 93.47 7 A 1 ATOM 63 C CD1 . TRP A 1 7 ? -4.949 -2.290 2.501 1.00 90.19 7 A 1 ATOM 64 C CD2 . TRP A 1 7 ? -2.880 -3.127 2.513 1.00 91.19 7 A 1 ATOM 65 N NE1 . TRP A 1 7 ? -5.021 -3.601 2.116 1.00 88.88 7 A 1 ATOM 66 C CE2 . TRP A 1 7 ? -3.768 -4.153 2.109 1.00 90.91 7 A 1 ATOM 67 C CE3 . TRP A 1 7 ? -1.512 -3.432 2.582 1.00 89.66 7 A 1 ATOM 68 C CZ2 . TRP A 1 7 ? -3.329 -5.437 1.789 1.00 90.93 7 A 1 ATOM 69 C CZ3 . TRP A 1 7 ? -1.081 -4.710 2.262 1.00 87.60 7 A 1 ATOM 70 C CH2 . TRP A 1 7 ? -1.981 -5.699 1.869 1.00 87.72 7 A 1 ATOM 71 N N . LEU A 1 8 ? -2.776 1.357 0.784 1.00 94.94 8 A 1 ATOM 72 C CA . LEU A 1 8 ? -3.118 1.792 -0.570 1.00 95.02 8 A 1 ATOM 73 C C . LEU A 1 8 ? -1.863 2.038 -1.402 1.00 95.54 8 A 1 ATOM 74 O O . LEU A 1 8 ? -1.795 1.656 -2.568 1.00 95.15 8 A 1 ATOM 75 C CB . LEU A 1 8 ? -3.952 3.071 -0.501 1.00 94.38 8 A 1 ATOM 76 C CG . LEU A 1 8 ? -5.456 2.826 -0.410 1.00 91.13 8 A 1 ATOM 77 C CD1 . LEU A 1 8 ? -6.142 3.957 0.337 1.00 89.37 8 A 1 ATOM 78 C CD2 . LEU A 1 8 ? -6.041 2.683 -1.808 1.00 88.87 8 A 1 ATOM 79 N N . ALA A 1 9 ? -0.888 2.685 -0.808 1.00 95.64 9 A 1 ATOM 80 C CA . ALA A 1 9 ? 0.367 2.987 -1.497 1.00 95.76 9 A 1 ATOM 81 C C . ALA A 1 9 ? 1.178 1.715 -1.745 1.00 96.06 9 A 1 ATOM 82 O O . ALA A 1 9 ? 2.021 1.671 -2.636 1.00 95.10 9 A 1 ATOM 83 C CB . ALA A 1 9 ? 1.182 3.974 -0.668 1.00 95.20 9 A 1 ATOM 84 N N . PHE A 1 10 ? 0.911 0.710 -0.953 1.00 95.49 10 A 1 ATOM 85 C CA . PHE A 1 10 ? 1.616 -0.560 -1.078 1.00 95.16 10 A 1 ATOM 86 C C . PHE A 1 10 ? 0.995 -1.419 -2.175 1.00 95.66 10 A 1 ATOM 87 O O . PHE A 1 10 ? 1.698 -2.138 -2.884 1.00 94.72 10 A 1 ATOM 88 C CB . PHE A 1 10 ? 1.560 -1.299 0.259 1.00 94.48 10 A 1 ATOM 89 C CG . PHE A 1 10 ? 2.792 -2.120 0.521 1.00 92.57 10 A 1 ATOM 90 C CD1 . PHE A 1 10 ? 3.986 -1.507 0.858 1.00 89.80 10 A 1 ATOM 91 C CD2 . PHE A 1 10 ? 2.745 -3.501 0.429 1.00 89.01 10 A 1 ATOM 92 C CE1 . PHE A 1 10 ? 5.126 -2.265 1.097 1.00 88.65 10 A 1 ATOM 93 C CE2 . PHE A 1 10 ? 3.884 -4.260 0.665 1.00 87.66 10 A 1 ATOM 94 C CZ . PHE A 1 10 ? 5.074 -3.643 1.000 1.00 87.97 10 A 1 ATOM 95 N N . LEU A 1 11 ? -0.320 -1.319 -2.316 1.00 95.02 11 A 1 ATOM 96 C CA . LEU A 1 11 ? -1.036 -2.100 -3.320 1.00 94.84 11 A 1 ATOM 97 C C . LEU A 1 11 ? -0.951 -1.456 -4.699 1.00 95.21 11 A 1 ATOM 98 O O . LEU A 1 11 ? -0.969 -2.149 -5.711 1.00 94.14 11 A 1 ATOM 99 C CB . LEU A 1 11 ? -2.498 -2.250 -2.909 1.00 94.04 11 A 1 ATOM 100 C CG . LEU A 1 11 ? -2.742 -3.306 -1.832 1.00 92.02 11 A 1 ATOM 101 C CD1 . LEU A 1 11 ? -4.084 -3.069 -1.163 1.00 90.08 11 A 1 ATOM 102 C CD2 . LEU A 1 11 ? -2.698 -4.702 -2.440 1.00 89.10 11 A 1 ATOM 103 N N . LEU A 1 12 ? -0.876 -0.150 -4.744 1.00 94.76 12 A 1 ATOM 104 C CA . LEU A 1 12 ? -0.800 0.587 -6.008 1.00 94.23 12 A 1 ATOM 105 C C . LEU A 1 12 ? 0.308 0.042 -6.915 1.00 94.11 12 A 1 ATOM 106 O O . LEU A 1 12 ? 0.037 -0.400 -8.032 1.00 92.30 12 A 1 ATOM 107 C CB . LEU A 1 12 ? -0.575 2.076 -5.730 1.00 93.36 12 A 1 ATOM 108 C CG . LEU A 1 12 ? -1.102 2.999 -6.823 1.00 90.46 12 A 1 ATOM 109 C CD1 . LEU A 1 12 ? -2.517 3.457 -6.490 1.00 88.39 12 A 1 ATOM 110 C CD2 . LEU A 1 12 ? -0.185 4.197 -6.978 1.00 87.81 12 A 1 ATOM 111 N N . PRO A 1 13 ? 1.554 0.069 -6.464 1.00 94.90 13 A 1 ATOM 112 C CA . PRO A 1 13 ? 2.668 -0.433 -7.279 1.00 94.09 13 A 1 ATOM 113 C C . PRO A 1 13 ? 2.723 -1.950 -7.346 1.00 93.69 13 A 1 ATOM 114 O O . PRO A 1 13 ? 3.455 -2.507 -8.167 1.00 91.19 13 A 1 ATOM 115 C CB . PRO A 1 13 ? 3.905 0.117 -6.559 1.00 92.61 13 A 1 ATOM 116 C CG . PRO A 1 13 ? 3.484 0.261 -5.140 1.00 92.18 13 A 1 ATOM 117 C CD . PRO A 1 13 ? 1.995 0.550 -5.155 1.00 94.62 13 A 1 ATOM 118 N N . MET A 1 14 ? 1.954 -2.600 -6.513 1.00 92.94 14 A 1 ATOM 119 C CA . MET A 1 14 ? 1.942 -4.060 -6.477 1.00 92.00 14 A 1 ATOM 120 C C . MET A 1 14 ? 0.781 -4.646 -7.276 1.00 92.20 14 A 1 ATOM 121 O O . MET A 1 14 ? 0.885 -5.738 -7.821 1.00 88.86 14 A 1 ATOM 122 C CB . MET A 1 14 ? 1.862 -4.542 -5.026 1.00 89.68 14 A 1 ATOM 123 C CG . MET A 1 14 ? 3.107 -5.296 -4.604 1.00 85.77 14 A 1 ATOM 124 S SD . MET A 1 14 ? 3.057 -6.967 -5.231 1.00 82.22 14 A 1 ATOM 125 C CE . MET A 1 14 ? 4.461 -7.668 -4.382 1.00 73.76 14 A 1 ATOM 126 N N . THR A 1 15 ? -0.302 -3.904 -7.331 1.00 91.97 15 A 1 ATOM 127 C CA . THR A 1 15 ? -1.490 -4.371 -8.043 1.00 91.45 15 A 1 ATOM 128 C C . THR A 1 15 ? -1.522 -3.885 -9.488 1.00 91.20 15 A 1 ATOM 129 O O . THR A 1 15 ? -2.169 -4.488 -10.338 1.00 87.33 15 A 1 ATOM 130 C CB . THR A 1 15 ? -2.757 -3.909 -7.308 1.00 88.42 15 A 1 ATOM 131 O OG1 . THR A 1 15 ? -3.868 -4.637 -7.804 1.00 82.03 15 A 1 ATOM 132 C CG2 . THR A 1 15 ? -3.012 -2.430 -7.520 1.00 80.94 15 A 1 ATOM 133 N N . VAL A 1 16 ? -0.840 -2.792 -9.779 1.00 89.97 16 A 1 ATOM 134 C CA . VAL A 1 16 ? -0.828 -2.231 -11.129 1.00 88.17 16 A 1 ATOM 135 C C . VAL A 1 16 ? 0.473 -2.551 -11.861 1.00 87.62 16 A 1 ATOM 136 O O . VAL A 1 16 ? 1.562 -2.498 -11.281 1.00 82.66 16 A 1 ATOM 137 C CB . VAL A 1 16 ? -1.048 -0.707 -11.073 1.00 85.36 16 A 1 ATOM 138 C CG1 . VAL A 1 16 ? 0.225 0.024 -10.667 1.00 78.50 16 A 1 ATOM 139 C CG2 . VAL A 1 16 ? -1.544 -0.202 -12.417 1.00 80.60 16 A 1 ATOM 140 N N . SER A 1 17 ? 0.327 -2.868 -13.158 1.00 85.03 17 A 1 ATOM 141 C CA . SER A 1 17 ? 1.495 -3.186 -13.980 1.00 81.49 17 A 1 ATOM 142 C C . SER A 1 17 ? 1.542 -2.246 -15.181 1.00 79.46 17 A 1 ATOM 143 O O . SER A 1 17 ? 0.781 -2.413 -16.127 1.00 71.52 17 A 1 ATOM 144 C CB . SER A 1 17 ? 1.417 -4.629 -14.455 1.00 77.05 17 A 1 ATOM 145 O OG . SER A 1 17 ? 2.404 -5.406 -13.820 1.00 69.24 17 A 1 ATOM 146 N N . GLY A 1 18 ? 2.431 -1.269 -15.133 1.00 79.34 18 A 1 ATOM 147 C CA . GLY A 1 18 ? 2.536 -0.273 -16.210 1.00 74.55 18 A 1 ATOM 148 C C . GLY A 1 18 ? 2.879 -0.881 -17.562 1.00 70.71 18 A 1 ATOM 149 O O . GLY A 1 18 ? 3.433 -0.171 -18.421 1.00 63.04 18 A 1 ATOM 150 O OXT . GLY A 1 18 ? 2.591 -2.035 -17.826 1.00 65.83 18 A 1 #