# 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_spkb33714 # _entry.id spkb33714 # 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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ILE 2 1 n LEU 3 1 n ILE 4 1 n LEU 5 1 n LYS 6 1 n TYR 7 1 n THR 8 1 n GLY 9 1 n ALA 10 1 n THR 11 1 n ILE 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n SER 16 1 n VAL 17 1 n LEU 18 1 n ILE 19 1 n GLU 20 1 n ILE 21 1 n GLY 22 1 n GLN 23 1 n LEU 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 @ 2025-07-11 13:19:44)" _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 87.57 _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 82.82 1 1 A ILE 2 2 85.23 1 2 A LEU 3 2 84.69 1 3 A ILE 4 2 87.24 1 4 A LEU 5 2 84.84 1 5 A LYS 6 2 83.77 1 6 A TYR 7 2 81.13 1 7 A THR 8 2 87.84 1 8 A GLY 9 2 88.89 1 9 A ALA 10 2 92.45 1 10 A THR 11 2 90.00 1 11 A ILE 12 2 90.36 1 12 A ILE 13 2 90.45 1 13 A LEU 14 2 89.66 1 14 A LEU 15 2 89.69 1 15 A SER 16 2 92.11 1 16 A VAL 17 2 94.12 1 17 A LEU 18 2 91.89 1 18 A ILE 19 2 92.73 1 19 A GLU 20 2 87.55 1 20 A ILE 21 2 90.67 1 21 A GLY 22 2 93.27 1 22 A GLN 23 2 81.63 1 23 A LEU 24 2 81.43 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 ILE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n LEU . 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 ? -17.924 -1.928 -3.014 1.00 88.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.196 -0.809 -2.372 1.00 90.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.182 -1.271 -1.313 1.00 90.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.060 -0.788 -1.332 1.00 87.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.172 0.256 -1.843 1.00 83.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.691 1.658 -2.227 1.00 78.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.019 2.890 -2.154 1.00 74.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.636 3.698 -0.574 1.00 69.68 1 A 1 ATOM 9 N N . ILE A 1 2 ? -16.534 -2.248 -0.462 1.00 87.96 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -15.638 -2.769 0.604 1.00 89.88 2 A 1 ATOM 11 C C . ILE A 1 2 ? -14.351 -3.403 0.044 1.00 90.81 2 A 1 ATOM 12 O O . ILE A 1 2 ? -13.275 -3.258 0.628 1.00 87.86 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -16.427 -3.769 1.482 1.00 87.82 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -17.586 -3.041 2.206 1.00 83.08 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -15.519 -4.483 2.504 1.00 80.10 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -18.601 -3.986 2.863 1.00 74.30 2 A 1 ATOM 17 N N . LEU A 1 3 ? -14.429 -4.081 -1.114 1.00 90.70 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -13.281 -4.741 -1.740 1.00 90.65 3 A 1 ATOM 19 C C . LEU A 1 3 ? -12.197 -3.732 -2.158 1.00 91.57 3 A 1 ATOM 20 O O . LEU A 1 3 ? -11.025 -3.934 -1.857 1.00 90.03 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -13.794 -5.571 -2.936 1.00 89.40 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -12.862 -6.737 -3.311 1.00 77.94 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -12.979 -7.883 -2.296 1.00 73.51 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -13.252 -7.284 -4.685 1.00 73.73 3 A 1 ATOM 25 N N . ILE A 1 4 ? -12.595 -2.611 -2.762 1.00 91.34 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -11.682 -1.540 -3.195 1.00 91.14 4 A 1 ATOM 27 C C . ILE A 1 4 ? -10.926 -0.969 -1.993 1.00 91.19 4 A 1 ATOM 28 O O . ILE A 1 4 ? -9.708 -0.829 -2.046 1.00 90.09 4 A 1 ATOM 29 C CB . ILE A 1 4 ? -12.462 -0.449 -3.964 1.00 89.75 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? -13.092 -1.046 -5.248 1.00 85.72 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -11.544 0.739 -4.319 1.00 83.26 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? -14.043 -0.099 -5.982 1.00 75.42 4 A 1 ATOM 33 N N . LEU A 1 5 ? -11.621 -0.725 -0.873 1.00 91.28 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -11.013 -0.184 0.346 1.00 90.55 5 A 1 ATOM 35 C C . LEU A 1 5 ? -9.930 -1.114 0.925 1.00 90.93 5 A 1 ATOM 36 O O . LEU A 1 5 ? -8.889 -0.644 1.376 1.00 89.55 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -12.128 0.074 1.383 1.00 89.34 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -11.924 1.393 2.151 1.00 79.33 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -12.403 2.582 1.314 1.00 73.50 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -12.716 1.370 3.457 1.00 74.21 5 A 1 ATOM 41 N N . LYS A 1 6 ? -10.153 -2.441 0.870 1.00 92.50 6 A 1 ATOM 42 C CA . LYS A 1 6 ? -9.167 -3.439 1.312 1.00 90.75 6 A 1 ATOM 43 C C . LYS A 1 6 ? -7.916 -3.438 0.432 1.00 90.50 6 A 1 ATOM 44 O O . LYS A 1 6 ? -6.810 -3.468 0.964 1.00 90.06 6 A 1 ATOM 45 C CB . LYS A 1 6 ? -9.787 -4.843 1.340 1.00 89.70 6 A 1 ATOM 46 C CG . LYS A 1 6 ? -10.696 -5.054 2.556 1.00 82.73 6 A 1 ATOM 47 C CD . LYS A 1 6 ? -11.151 -6.520 2.622 1.00 78.89 6 A 1 ATOM 48 C CE . LYS A 1 6 ? -11.905 -6.787 3.927 1.00 72.55 6 A 1 ATOM 49 N NZ . LYS A 1 6 ? -12.182 -8.239 4.112 1.00 66.24 6 A 1 ATOM 50 N N . TYR A 1 7 ? -8.074 -3.377 -0.892 1.00 90.38 7 A 1 ATOM 51 C CA . TYR A 1 7 ? -6.941 -3.324 -1.816 1.00 89.70 7 A 1 ATOM 52 C C . TYR A 1 7 ? -6.162 -2.016 -1.691 1.00 90.11 7 A 1 ATOM 53 O O . TYR A 1 7 ? -4.937 -2.057 -1.635 1.00 88.70 7 A 1 ATOM 54 C CB . TYR A 1 7 ? -7.413 -3.568 -3.253 1.00 88.47 7 A 1 ATOM 55 C CG . TYR A 1 7 ? -7.739 -5.025 -3.533 1.00 82.25 7 A 1 ATOM 56 C CD1 . TYR A 1 7 ? -6.702 -5.976 -3.595 1.00 77.94 7 A 1 ATOM 57 C CD2 . TYR A 1 7 ? -9.069 -5.436 -3.722 1.00 75.21 7 A 1 ATOM 58 C CE1 . TYR A 1 7 ? -6.994 -7.333 -3.830 1.00 73.37 7 A 1 ATOM 59 C CE2 . TYR A 1 7 ? -9.370 -6.795 -3.956 1.00 73.50 7 A 1 ATOM 60 C CZ . TYR A 1 7 ? -8.329 -7.741 -4.005 1.00 72.98 7 A 1 ATOM 61 O OH . TYR A 1 7 ? -8.619 -9.058 -4.218 1.00 70.99 7 A 1 ATOM 62 N N . THR A 1 8 ? -6.839 -0.876 -1.548 1.00 91.31 8 A 1 ATOM 63 C CA . THR A 1 8 ? -6.174 0.419 -1.345 1.00 91.66 8 A 1 ATOM 64 C C . THR A 1 8 ? -5.327 0.423 -0.069 1.00 92.35 8 A 1 ATOM 65 O O . THR A 1 8 ? -4.178 0.846 -0.109 1.00 90.78 8 A 1 ATOM 66 C CB . THR A 1 8 ? -7.205 1.560 -1.297 1.00 89.90 8 A 1 ATOM 67 O OG1 . THR A 1 8 ? -8.001 1.543 -2.459 1.00 81.75 8 A 1 ATOM 68 C CG2 . THR A 1 8 ? -6.557 2.942 -1.247 1.00 77.10 8 A 1 ATOM 69 N N . GLY A 1 9 ? -5.842 -0.096 1.041 1.00 89.30 9 A 1 ATOM 70 C CA . GLY A 1 9 ? -5.081 -0.198 2.290 1.00 88.53 9 A 1 ATOM 71 C C . GLY A 1 9 ? -3.848 -1.099 2.161 1.00 89.92 9 A 1 ATOM 72 O O . GLY A 1 9 ? -2.755 -0.708 2.567 1.00 87.79 9 A 1 ATOM 73 N N . ALA A 1 10 ? -3.987 -2.271 1.532 1.00 91.54 10 A 1 ATOM 74 C CA . ALA A 1 10 ? -2.866 -3.182 1.292 1.00 92.91 10 A 1 ATOM 75 C C . ALA A 1 10 ? -1.806 -2.571 0.358 1.00 94.31 10 A 1 ATOM 76 O O . ALA A 1 10 ? -0.613 -2.718 0.610 1.00 92.62 10 A 1 ATOM 77 C CB . ALA A 1 10 ? -3.418 -4.497 0.727 1.00 90.89 10 A 1 ATOM 78 N N . THR A 1 11 ? -2.224 -1.840 -0.687 1.00 92.23 11 A 1 ATOM 79 C CA . THR A 1 11 ? -1.317 -1.155 -1.616 1.00 93.38 11 A 1 ATOM 80 C C . THR A 1 11 ? -0.523 -0.055 -0.919 1.00 94.51 11 A 1 ATOM 81 O O . THR A 1 11 ? 0.676 0.050 -1.148 1.00 93.14 11 A 1 ATOM 82 C CB . THR A 1 11 ? -2.090 -0.565 -2.803 1.00 91.58 11 A 1 ATOM 83 O OG1 . THR A 1 11 ? -2.823 -1.575 -3.453 1.00 84.21 11 A 1 ATOM 84 C CG2 . THR A 1 11 ? -1.178 0.043 -3.866 1.00 80.98 11 A 1 ATOM 85 N N . ILE A 1 12 ? -1.143 0.731 -0.037 1.00 93.30 12 A 1 ATOM 86 C CA . ILE A 1 12 ? -0.448 1.781 0.726 1.00 93.85 12 A 1 ATOM 87 C C . ILE A 1 12 ? 0.624 1.163 1.628 1.00 94.52 12 A 1 ATOM 88 O O . ILE A 1 12 ? 1.757 1.636 1.633 1.00 93.64 12 A 1 ATOM 89 C CB . ILE A 1 12 ? -1.455 2.633 1.526 1.00 93.08 12 A 1 ATOM 90 C CG1 . ILE A 1 12 ? -2.318 3.472 0.557 1.00 89.38 12 A 1 ATOM 91 C CG2 . ILE A 1 12 ? -0.736 3.567 2.522 1.00 86.91 12 A 1 ATOM 92 C CD1 . ILE A 1 12 ? -3.556 4.087 1.220 1.00 78.24 12 A 1 ATOM 93 N N . ILE A 1 13 ? 0.301 0.087 2.347 1.00 93.77 13 A 1 ATOM 94 C CA . ILE A 1 13 ? 1.263 -0.605 3.219 1.00 93.50 13 A 1 ATOM 95 C C . ILE A 1 13 ? 2.434 -1.151 2.394 1.00 93.73 13 A 1 ATOM 96 O O . ILE A 1 13 ? 3.590 -0.944 2.759 1.00 92.76 13 A 1 ATOM 97 C CB . ILE A 1 13 ? 0.560 -1.722 4.021 1.00 93.24 13 A 1 ATOM 98 C CG1 . ILE A 1 13 ? -0.447 -1.106 5.019 1.00 89.68 13 A 1 ATOM 99 C CG2 . ILE A 1 13 ? 1.590 -2.591 4.778 1.00 87.32 13 A 1 ATOM 100 C CD1 . ILE A 1 13 ? -1.416 -2.130 5.621 1.00 79.63 13 A 1 ATOM 101 N N . LEU A 1 14 ? 2.154 -1.810 1.270 1.00 93.76 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 3.187 -2.338 0.381 1.00 93.60 14 A 1 ATOM 103 C C . LEU A 1 14 ? 4.095 -1.227 -0.156 1.00 93.93 14 A 1 ATOM 104 O O . LEU A 1 14 ? 5.311 -1.385 -0.156 1.00 93.92 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 2.504 -3.107 -0.763 1.00 93.29 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 3.489 -3.754 -1.751 1.00 85.79 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 4.341 -4.835 -1.078 1.00 80.75 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 2.703 -4.401 -2.894 1.00 82.27 14 A 1 ATOM 109 N N . LEU A 1 15 ? 3.521 -0.098 -0.568 1.00 94.75 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 4.278 1.052 -1.058 1.00 94.10 15 A 1 ATOM 111 C C . LEU A 1 15 ? 5.185 1.630 0.033 1.00 94.42 15 A 1 ATOM 112 O O . LEU A 1 15 ? 6.352 1.903 -0.230 1.00 94.37 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 3.285 2.103 -1.584 1.00 93.53 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 3.940 3.157 -2.491 1.00 84.47 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 4.239 2.561 -3.872 1.00 79.98 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 2.990 4.339 -2.691 1.00 81.88 15 A 1 ATOM 117 N N . SER A 1 16 ? 4.686 1.758 1.266 1.00 94.41 16 A 1 ATOM 118 C CA . SER A 1 16 ? 5.483 2.228 2.403 1.00 93.98 16 A 1 ATOM 119 C C . SER A 1 16 ? 6.674 1.309 2.684 1.00 94.17 16 A 1 ATOM 120 O O . SER A 1 16 ? 7.783 1.797 2.873 1.00 93.05 16 A 1 ATOM 121 C CB . SER A 1 16 ? 4.621 2.337 3.663 1.00 93.43 16 A 1 ATOM 122 O OG . SER A 1 16 ? 3.594 3.297 3.488 1.00 83.61 16 A 1 ATOM 123 N N . VAL A 1 17 ? 6.478 -0.013 2.644 1.00 95.50 17 A 1 ATOM 124 C CA . VAL A 1 17 ? 7.562 -0.995 2.826 1.00 95.24 17 A 1 ATOM 125 C C . VAL A 1 17 ? 8.587 -0.894 1.694 1.00 95.58 17 A 1 ATOM 126 O O . VAL A 1 17 ? 9.784 -0.898 1.960 1.00 94.53 17 A 1 ATOM 127 C CB . VAL A 1 17 ? 6.987 -2.421 2.930 1.00 94.86 17 A 1 ATOM 128 C CG1 . VAL A 1 17 ? 8.075 -3.503 2.935 1.00 91.91 17 A 1 ATOM 129 C CG2 . VAL A 1 17 ? 6.181 -2.591 4.224 1.00 91.24 17 A 1 ATOM 130 N N . LEU A 1 18 ? 8.156 -0.754 0.437 1.00 95.00 18 A 1 ATOM 131 C CA . LEU A 1 18 ? 9.063 -0.616 -0.710 1.00 94.45 18 A 1 ATOM 132 C C . LEU A 1 18 ? 9.919 0.652 -0.628 1.00 94.59 18 A 1 ATOM 133 O O . LEU A 1 18 ? 11.102 0.603 -0.958 1.00 93.92 18 A 1 ATOM 134 C CB . LEU A 1 18 ? 8.247 -0.625 -2.013 1.00 93.78 18 A 1 ATOM 135 C CG . LEU A 1 18 ? 7.688 -2.003 -2.400 1.00 90.79 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? 6.694 -1.851 -3.553 1.00 86.17 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? 8.790 -2.964 -2.855 1.00 86.39 18 A 1 ATOM 138 N N . ILE A 1 19 ? 9.356 1.764 -0.153 1.00 95.53 19 A 1 ATOM 139 C CA . ILE A 1 19 ? 10.104 3.006 0.089 1.00 94.85 19 A 1 ATOM 140 C C . ILE A 1 19 ? 11.132 2.794 1.203 1.00 94.52 19 A 1 ATOM 141 O O . ILE A 1 19 ? 12.281 3.207 1.062 1.00 93.54 19 A 1 ATOM 142 C CB . ILE A 1 19 ? 9.131 4.162 0.409 1.00 94.53 19 A 1 ATOM 143 C CG1 . ILE A 1 19 ? 8.289 4.523 -0.840 1.00 92.36 19 A 1 ATOM 144 C CG2 . ILE A 1 19 ? 9.886 5.415 0.903 1.00 91.41 19 A 1 ATOM 145 C CD1 . ILE A 1 19 ? 7.060 5.387 -0.525 1.00 85.08 19 A 1 ATOM 146 N N . GLU A 1 20 ? 10.741 2.128 2.302 1.00 95.26 20 A 1 ATOM 147 C CA . GLU A 1 20 ? 11.622 1.890 3.453 1.00 94.89 20 A 1 ATOM 148 C C . GLU A 1 20 ? 12.829 1.011 3.094 1.00 94.75 20 A 1 ATOM 149 O O . GLU A 1 20 ? 13.948 1.283 3.534 1.00 92.58 20 A 1 ATOM 150 C CB . GLU A 1 20 ? 10.784 1.272 4.584 1.00 94.66 20 A 1 ATOM 151 C CG . GLU A 1 20 ? 11.552 1.186 5.911 1.00 85.71 20 A 1 ATOM 152 C CD . GLU A 1 20 ? 10.685 0.678 7.079 1.00 81.12 20 A 1 ATOM 153 O OE1 . GLU A 1 20 ? 11.257 0.496 8.182 1.00 73.17 20 A 1 ATOM 154 O OE2 . GLU A 1 20 ? 9.463 0.473 6.888 1.00 75.85 20 A 1 ATOM 155 N N . ILE A 1 21 ? 12.643 -0.005 2.243 1.00 95.37 21 A 1 ATOM 156 C CA . ILE A 1 21 ? 13.737 -0.870 1.768 1.00 94.49 21 A 1 ATOM 157 C C . ILE A 1 21 ? 14.510 -0.274 0.579 1.00 93.91 21 A 1 ATOM 158 O O . ILE A 1 21 ? 15.449 -0.903 0.084 1.00 91.45 21 A 1 ATOM 159 C CB . ILE A 1 21 ? 13.239 -2.303 1.491 1.00 93.48 21 A 1 ATOM 160 C CG1 . ILE A 1 21 ? 12.302 -2.346 0.265 1.00 88.90 21 A 1 ATOM 161 C CG2 . ILE A 1 21 ? 12.610 -2.912 2.757 1.00 85.32 21 A 1 ATOM 162 C CD1 . ILE A 1 21 ? 11.715 -3.719 -0.036 1.00 82.40 21 A 1 ATOM 163 N N . GLY A 1 22 ? 14.139 0.923 0.105 1.00 94.34 22 A 1 ATOM 164 C CA . GLY A 1 22 ? 14.840 1.635 -0.968 1.00 93.59 22 A 1 ATOM 165 C C . GLY A 1 22 ? 14.684 1.012 -2.358 1.00 93.42 22 A 1 ATOM 166 O O . GLY A 1 22 ? 15.562 1.184 -3.203 1.00 91.73 22 A 1 ATOM 167 N N . GLN A 1 23 ? 13.588 0.277 -2.605 1.00 88.70 23 A 1 ATOM 168 C CA . GLN A 1 23 ? 13.290 -0.328 -3.919 1.00 87.88 23 A 1 ATOM 169 C C . GLN A 1 23 ? 12.421 0.563 -4.819 1.00 86.23 23 A 1 ATOM 170 O O . GLN A 1 23 ? 12.000 0.122 -5.888 1.00 81.97 23 A 1 ATOM 171 C CB . GLN A 1 23 ? 12.655 -1.714 -3.731 1.00 88.28 23 A 1 ATOM 172 C CG . GLN A 1 23 ? 13.679 -2.748 -3.243 1.00 81.98 23 A 1 ATOM 173 C CD . GLN A 1 23 ? 13.186 -4.181 -3.463 1.00 77.63 23 A 1 ATOM 174 O OE1 . GLN A 1 23 ? 12.014 -4.517 -3.342 1.00 72.20 23 A 1 ATOM 175 N NE2 . GLN A 1 23 ? 14.065 -5.093 -3.811 1.00 69.82 23 A 1 ATOM 176 N N . LEU A 1 24 ? 12.139 1.803 -4.401 1.00 89.13 24 A 1 ATOM 177 C CA . LEU A 1 24 ? 11.305 2.780 -5.107 1.00 89.03 24 A 1 ATOM 178 C C . LEU A 1 24 ? 12.027 4.112 -5.251 1.00 85.65 24 A 1 ATOM 179 O O . LEU A 1 24 ? 12.742 4.503 -4.300 1.00 76.97 24 A 1 ATOM 180 C CB . LEU A 1 24 ? 9.956 2.895 -4.370 1.00 84.43 24 A 1 ATOM 181 C CG . LEU A 1 24 ? 8.735 2.811 -5.297 1.00 81.47 24 A 1 ATOM 182 C CD1 . LEU A 1 24 ? 7.694 1.868 -4.691 1.00 77.70 24 A 1 ATOM 183 C CD2 . LEU A 1 24 ? 8.085 4.170 -5.488 1.00 75.07 24 A 1 ATOM 184 O OXT . LEU A 1 24 ? 11.840 4.745 -6.314 1.00 73.39 24 A 1 #