# 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_spkb09569 # _entry.id spkb09569 # 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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "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" "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 ALA 2 1 n LEU 3 1 n HIS 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n GLY 10 1 n ALA 11 1 n CYS 12 1 n TRP 13 1 n VAL 14 1 n GLN 15 1 n VAL 16 1 n ALA 17 1 n SER 18 1 n PRO 19 # _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 22:58:12)" _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 94.01 _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 84.25 1 1 A ALA 2 2 96.00 1 2 A LEU 3 2 94.05 1 3 A HIS 4 2 93.23 1 4 A LEU 5 2 95.52 1 5 A LEU 6 2 95.44 1 6 A LEU 7 2 96.14 1 7 A LEU 8 2 95.94 1 8 A PHE 9 2 94.23 1 9 A GLY 10 2 97.31 1 10 A ALA 11 2 97.76 1 11 A CYS 12 2 97.12 1 12 A TRP 13 2 94.51 1 13 A VAL 14 2 97.14 1 14 A GLN 15 2 92.63 1 15 A VAL 16 2 95.34 1 16 A ALA 17 2 96.31 1 17 A SER 18 2 90.96 1 18 A PRO 19 2 87.44 1 19 # _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 LEU . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n PRO . 19 A 19 # _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 ? -13.663 -4.068 8.918 1.00 91.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.166 -2.808 8.345 1.00 91.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.065 -2.084 7.568 1.00 91.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.282 -1.627 6.447 1.00 89.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.693 -1.890 9.450 1.00 86.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.009 -2.372 10.042 1.00 79.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.518 -1.365 11.437 1.00 77.32 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.124 -2.079 11.764 1.00 67.23 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.899 -1.981 8.176 1.00 94.14 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.781 -1.295 7.534 1.00 96.45 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.504 -2.135 7.514 1.00 97.36 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.410 -1.611 7.315 1.00 96.92 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.518 0.029 8.236 1.00 95.14 2 A 1 ATOM 14 N N . LEU A 1 3 ? -9.647 -3.430 7.726 1.00 96.42 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -8.486 -4.322 7.726 1.00 96.69 3 A 1 ATOM 16 C C . LEU A 1 3 ? -7.863 -4.395 6.333 1.00 97.48 3 A 1 ATOM 17 O O . LEU A 1 3 ? -6.644 -4.515 6.187 1.00 97.28 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -8.897 -5.723 8.211 1.00 96.11 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -9.871 -6.463 7.302 1.00 91.71 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -9.132 -7.511 6.473 1.00 88.94 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -10.961 -7.128 8.128 1.00 87.73 3 A 1 ATOM 22 N N . HIS A 1 4 ? -8.712 -4.325 5.307 1.00 97.05 4 A 1 ATOM 23 C CA . HIS A 1 4 ? -8.239 -4.347 3.925 1.00 97.11 4 A 1 ATOM 24 C C . HIS A 1 4 ? -7.499 -3.055 3.599 1.00 97.70 4 A 1 ATOM 25 O O . HIS A 1 4 ? -6.534 -3.051 2.829 1.00 97.60 4 A 1 ATOM 26 C CB . HIS A 1 4 ? -9.414 -4.534 2.961 1.00 96.65 4 A 1 ATOM 27 C CG . HIS A 1 4 ? -9.597 -5.954 2.511 1.00 94.17 4 A 1 ATOM 28 N ND1 . HIS A 1 4 ? -10.832 -6.547 2.364 1.00 86.56 4 A 1 ATOM 29 C CD2 . HIS A 1 4 ? -8.696 -6.905 2.164 1.00 87.46 4 A 1 ATOM 30 C CE1 . HIS A 1 4 ? -10.663 -7.795 1.946 1.00 88.90 4 A 1 ATOM 31 N NE2 . HIS A 1 4 ? -9.380 -8.041 1.817 1.00 89.15 4 A 1 ATOM 32 N N . LEU A 1 5 ? -7.952 -1.966 4.198 1.00 97.62 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -7.327 -0.661 4.002 1.00 97.55 5 A 1 ATOM 34 C C . LEU A 1 5 ? -5.899 -0.671 4.528 1.00 97.90 5 A 1 ATOM 35 O O . LEU A 1 5 ? -4.998 -0.092 3.925 1.00 97.64 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -8.143 0.424 4.715 1.00 97.25 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -8.923 1.355 3.784 1.00 93.79 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -7.971 2.178 2.938 1.00 91.08 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -9.868 0.548 2.907 1.00 91.31 5 A 1 ATOM 40 N N . LEU A 1 6 ? -5.706 -1.337 5.665 1.00 97.67 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -4.383 -1.434 6.272 1.00 97.58 6 A 1 ATOM 42 C C . LEU A 1 6 ? -3.432 -2.215 5.368 1.00 97.87 6 A 1 ATOM 43 O O . LEU A 1 6 ? -2.256 -1.875 5.245 1.00 97.66 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -4.484 -2.115 7.643 1.00 97.48 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -3.403 -1.693 8.633 1.00 93.29 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -3.755 -0.341 9.254 1.00 90.92 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -3.228 -2.740 9.717 1.00 91.08 6 A 1 ATOM 48 N N . LEU A 1 7 ? -3.953 -3.265 4.747 1.00 97.90 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -3.163 -4.094 3.839 1.00 97.71 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.743 -3.296 2.608 1.00 97.85 7 A 1 ATOM 51 O O . LEU A 1 7 ? -1.583 -3.334 2.191 1.00 97.61 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -3.978 -5.329 3.419 1.00 97.53 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -3.348 -6.678 3.780 1.00 94.92 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -2.028 -6.873 3.062 1.00 92.80 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -3.169 -6.780 5.285 1.00 92.80 7 A 1 ATOM 56 N N . LEU A 1 8 ? -3.703 -2.579 2.038 1.00 97.79 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -3.440 -1.758 0.860 1.00 97.57 8 A 1 ATOM 58 C C . LEU A 1 8 ? -2.515 -0.597 1.198 1.00 97.71 8 A 1 ATOM 59 O O . LEU A 1 8 ? -1.649 -0.226 0.401 1.00 97.54 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -4.760 -1.229 0.296 1.00 97.42 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -5.519 -2.238 -0.572 1.00 94.80 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -6.987 -1.859 -0.676 1.00 92.42 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -4.894 -2.306 -1.961 1.00 92.24 8 A 1 ATOM 64 N N . PHE A 1 9 ? -2.697 -0.044 2.383 1.00 97.50 9 A 1 ATOM 65 C CA . PHE A 1 9 ? -1.872 1.069 2.839 1.00 97.27 9 A 1 ATOM 66 C C . PHE A 1 9 ? -0.423 0.627 2.996 1.00 97.49 9 A 1 ATOM 67 O O . PHE A 1 9 ? 0.502 1.357 2.643 1.00 97.05 9 A 1 ATOM 68 C CB . PHE A 1 9 ? -2.406 1.602 4.168 1.00 96.90 9 A 1 ATOM 69 C CG . PHE A 1 9 ? -1.698 2.850 4.628 1.00 94.32 9 A 1 ATOM 70 C CD1 . PHE A 1 9 ? -1.920 4.065 3.996 1.00 91.35 9 A 1 ATOM 71 C CD2 . PHE A 1 9 ? -0.808 2.797 5.690 1.00 91.65 9 A 1 ATOM 72 C CE1 . PHE A 1 9 ? -1.266 5.211 4.412 1.00 90.97 9 A 1 ATOM 73 C CE2 . PHE A 1 9 ? -0.148 3.946 6.108 1.00 90.33 9 A 1 ATOM 74 C CZ . PHE A 1 9 ? -0.374 5.155 5.468 1.00 91.68 9 A 1 ATOM 75 N N . GLY A 1 10 ? -0.240 -0.577 3.529 1.00 97.39 10 A 1 ATOM 76 C CA . GLY A 1 10 ? 1.102 -1.118 3.711 1.00 97.21 10 A 1 ATOM 77 C C . GLY A 1 10 ? 1.813 -1.321 2.387 1.00 97.54 10 A 1 ATOM 78 O O . GLY A 1 10 ? 2.999 -1.018 2.249 1.00 97.12 10 A 1 ATOM 79 N N . ALA A 1 11 ? 1.084 -1.841 1.402 1.00 97.95 11 A 1 ATOM 80 C CA . ALA A 1 11 ? 1.637 -2.066 0.069 1.00 97.90 11 A 1 ATOM 81 C C . ALA A 1 11 ? 1.932 -0.744 -0.633 1.00 98.02 11 A 1 ATOM 82 O O . ALA A 1 11 ? 2.910 -0.630 -1.372 1.00 97.37 11 A 1 ATOM 83 C CB . ALA A 1 11 ? 0.664 -2.896 -0.764 1.00 97.54 11 A 1 ATOM 84 N N . CYS A 1 12 ? 1.082 0.238 -0.407 1.00 97.75 12 A 1 ATOM 85 C CA . CYS A 1 12 ? 1.258 1.566 -0.996 1.00 97.78 12 A 1 ATOM 86 C C . CYS A 1 12 ? 2.493 2.252 -0.421 1.00 97.86 12 A 1 ATOM 87 O O . CYS A 1 12 ? 3.194 2.981 -1.118 1.00 96.96 12 A 1 ATOM 88 C CB . CYS A 1 12 ? 0.020 2.425 -0.735 1.00 97.39 12 A 1 ATOM 89 S SG . CYS A 1 12 ? 0.064 3.987 -1.622 1.00 94.97 12 A 1 ATOM 90 N N . TRP A 1 13 ? 2.751 1.997 0.862 1.00 97.29 13 A 1 ATOM 91 C CA . TRP A 1 13 ? 3.906 2.577 1.538 1.00 97.35 13 A 1 ATOM 92 C C . TRP A 1 13 ? 5.201 2.103 0.890 1.00 97.70 13 A 1 ATOM 93 O O . TRP A 1 13 ? 6.166 2.856 0.777 1.00 97.22 13 A 1 ATOM 94 C CB . TRP A 1 13 ? 3.879 2.202 3.021 1.00 96.82 13 A 1 ATOM 95 C CG . TRP A 1 13 ? 5.002 2.804 3.803 1.00 95.32 13 A 1 ATOM 96 C CD1 . TRP A 1 13 ? 5.941 2.128 4.519 1.00 92.57 13 A 1 ATOM 97 C CD2 . TRP A 1 13 ? 5.318 4.199 3.947 1.00 94.05 13 A 1 ATOM 98 N NE1 . TRP A 1 13 ? 6.815 3.015 5.101 1.00 92.17 13 A 1 ATOM 99 C CE2 . TRP A 1 13 ? 6.457 4.295 4.766 1.00 93.87 13 A 1 ATOM 100 C CE3 . TRP A 1 13 ? 4.746 5.374 3.460 1.00 93.37 13 A 1 ATOM 101 C CZ2 . TRP A 1 13 ? 7.029 5.527 5.107 1.00 93.12 13 A 1 ATOM 102 C CZ3 . TRP A 1 13 ? 5.316 6.603 3.797 1.00 91.04 13 A 1 ATOM 103 C CH2 . TRP A 1 13 ? 6.448 6.667 4.612 1.00 91.28 13 A 1 ATOM 104 N N . VAL A 1 14 ? 5.219 0.849 0.459 1.00 98.07 14 A 1 ATOM 105 C CA . VAL A 1 14 ? 6.393 0.279 -0.198 1.00 97.93 14 A 1 ATOM 106 C C . VAL A 1 14 ? 6.625 0.936 -1.553 1.00 98.03 14 A 1 ATOM 107 O O . VAL A 1 14 ? 7.767 1.088 -1.992 1.00 97.59 14 A 1 ATOM 108 C CB . VAL A 1 14 ? 6.237 -1.237 -0.384 1.00 97.42 14 A 1 ATOM 109 C CG1 . VAL A 1 14 ? 7.478 -1.836 -1.033 1.00 95.60 14 A 1 ATOM 110 C CG2 . VAL A 1 14 ? 5.971 -1.913 0.949 1.00 95.34 14 A 1 ATOM 111 N N . GLN A 1 15 ? 5.539 1.316 -2.212 1.00 97.63 15 A 1 ATOM 112 C CA . GLN A 1 15 ? 5.620 1.964 -3.519 1.00 97.46 15 A 1 ATOM 113 C C . GLN A 1 15 ? 6.293 3.328 -3.417 1.00 97.63 15 A 1 ATOM 114 O O . GLN A 1 15 ? 6.950 3.774 -4.359 1.00 96.56 15 A 1 ATOM 115 C CB . GLN A 1 15 ? 4.219 2.123 -4.113 1.00 96.75 15 A 1 ATOM 116 C CG . GLN A 1 15 ? 3.625 0.807 -4.571 1.00 91.30 15 A 1 ATOM 117 C CD . GLN A 1 15 ? 4.240 0.328 -5.878 1.00 89.17 15 A 1 ATOM 118 O OE1 . GLN A 1 15 ? 4.377 1.094 -6.823 1.00 84.02 15 A 1 ATOM 119 N NE2 . GLN A 1 15 ? 4.611 -0.927 -5.937 1.00 83.11 15 A 1 ATOM 120 N N . VAL A 1 16 ? 6.133 3.970 -2.288 1.00 97.51 16 A 1 ATOM 121 C CA . VAL A 1 16 ? 6.724 5.287 -2.063 1.00 97.03 16 A 1 ATOM 122 C C . VAL A 1 16 ? 8.191 5.174 -1.660 1.00 96.91 16 A 1 ATOM 123 O O . VAL A 1 16 ? 9.006 6.043 -1.980 1.00 95.55 16 A 1 ATOM 124 C CB . VAL A 1 16 ? 5.954 6.057 -0.978 1.00 95.94 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? 6.519 7.457 -0.807 1.00 91.82 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? 4.477 6.118 -1.317 1.00 92.62 16 A 1 ATOM 127 N N . ALA A 1 17 ? 8.522 4.100 -0.965 1.00 97.31 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 9.887 3.900 -0.488 1.00 96.86 17 A 1 ATOM 129 C C . ALA A 1 17 ? 10.715 3.028 -1.431 1.00 96.60 17 A 1 ATOM 130 O O . ALA A 1 17 ? 11.879 2.740 -1.154 1.00 94.78 17 A 1 ATOM 131 C CB . ALA A 1 17 ? 9.862 3.283 0.906 1.00 96.02 17 A 1 ATOM 132 N N . SER A 1 18 ? 10.112 2.596 -2.534 1.00 95.98 18 A 1 ATOM 133 C CA . SER A 1 18 ? 10.796 1.742 -3.503 1.00 94.84 18 A 1 ATOM 134 C C . SER A 1 18 ? 11.506 2.550 -4.594 1.00 93.59 18 A 1 ATOM 135 O O . SER A 1 18 ? 12.734 2.483 -4.713 1.00 88.29 18 A 1 ATOM 136 C CB . SER A 1 18 ? 9.813 0.749 -4.124 1.00 92.16 18 A 1 ATOM 137 O OG . SER A 1 18 ? 10.482 -0.239 -4.869 1.00 80.89 18 A 1 ATOM 138 N N . PRO A 1 19 ? 10.757 3.295 -5.411 1.00 93.91 19 A 1 ATOM 139 C CA . PRO A 1 19 ? 11.347 4.085 -6.502 1.00 91.88 19 A 1 ATOM 140 C C . PRO A 1 19 ? 12.043 5.349 -5.998 1.00 89.94 19 A 1 ATOM 141 O O . PRO A 1 19 ? 13.258 5.480 -6.217 1.00 81.57 19 A 1 ATOM 142 C CB . PRO A 1 19 ? 10.139 4.432 -7.378 1.00 85.78 19 A 1 ATOM 143 C CG . PRO A 1 19 ? 8.980 4.435 -6.457 1.00 84.25 19 A 1 ATOM 144 C CD . PRO A 1 19 ? 9.296 3.458 -5.340 1.00 89.87 19 A 1 ATOM 145 O OXT . PRO A 1 19 ? 11.390 6.201 -5.438 1.00 82.30 19 A 1 #