# 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_spkb28561 # _entry.id spkb28561 # 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 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" "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" # _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 ARG 3 1 n PHE 4 1 n PRO 5 1 n GLN 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n SER 14 1 n ILE 15 1 n GLY 16 1 n LEU 17 1 n LEU 18 1 n SER 19 1 n ALA 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 15:38:06)" _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 91.20 _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 77.24 1 1 A ALA 2 2 85.75 1 2 A ARG 3 2 80.98 1 3 A PHE 4 2 88.38 1 4 A PRO 5 2 94.69 1 5 A GLN 6 2 92.05 1 6 A LEU 7 2 94.66 1 7 A LEU 8 2 93.92 1 8 A PHE 9 2 93.18 1 9 A LEU 10 2 94.63 1 10 A LEU 11 2 94.29 1 11 A LEU 12 2 94.60 1 12 A ALA 13 2 97.35 1 13 A SER 14 2 95.69 1 14 A ILE 15 2 94.81 1 15 A GLY 16 2 97.39 1 16 A LEU 17 2 93.43 1 17 A LEU 18 2 91.11 1 18 A SER 19 2 91.31 1 19 A ALA 20 2 86.23 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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n GLN . 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 LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 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 ? -14.140 1.369 8.900 1.00 83.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.767 1.191 8.416 1.00 84.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.753 0.402 7.114 1.00 84.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.846 -0.821 7.133 1.00 79.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.922 0.444 9.445 1.00 78.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.729 1.222 10.727 1.00 74.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.790 0.290 11.941 1.00 70.69 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.675 1.498 13.253 1.00 62.41 1 A 1 ATOM 9 N N . ALA A 1 2 ? -12.655 1.092 6.022 1.00 83.73 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.638 0.457 4.708 1.00 87.26 2 A 1 ATOM 11 C C . ALA A 1 2 ? -11.436 0.916 3.885 1.00 88.99 2 A 1 ATOM 12 O O . ALA A 1 2 ? -11.381 0.707 2.675 1.00 85.59 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.937 0.762 3.970 1.00 83.20 2 A 1 ATOM 14 N N . ARG A 1 3 ? -10.487 1.531 4.552 1.00 90.20 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -9.296 2.050 3.875 1.00 91.73 3 A 1 ATOM 16 C C . ARG A 1 3 ? -8.041 1.273 4.259 1.00 93.75 3 A 1 ATOM 17 O O . ARG A 1 3 ? -6.922 1.732 4.010 1.00 92.17 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -9.115 3.536 4.200 1.00 88.49 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -10.171 4.424 3.585 1.00 81.49 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -9.938 4.589 2.098 1.00 79.63 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -8.744 5.381 1.822 1.00 73.35 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -8.720 6.707 1.826 1.00 70.55 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -9.807 7.409 2.092 1.00 64.25 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -7.587 7.343 1.571 1.00 65.22 3 A 1 ATOM 25 N N . PHE A 1 4 ? -8.227 0.107 4.856 1.00 93.71 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -7.098 -0.726 5.262 1.00 94.54 4 A 1 ATOM 27 C C . PHE A 1 4 ? -6.168 -1.053 4.092 1.00 95.70 4 A 1 ATOM 28 O O . PHE A 1 4 ? -4.959 -0.827 4.180 1.00 94.88 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -7.600 -2.016 5.916 1.00 93.08 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -7.475 -2.000 7.413 1.00 88.98 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -6.233 -1.981 8.010 1.00 85.04 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -8.603 -2.008 8.214 1.00 83.52 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -6.110 -1.965 9.385 1.00 81.92 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -8.490 -1.995 9.590 1.00 80.84 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -7.241 -1.972 10.180 1.00 79.92 4 A 1 ATOM 36 N N . PRO A 1 5 ? -6.702 -1.585 2.982 1.00 95.55 5 A 1 ATOM 37 C CA . PRO A 1 5 ? -5.859 -1.901 1.822 1.00 95.99 5 A 1 ATOM 38 C C . PRO A 1 5 ? -5.184 -0.663 1.251 1.00 96.58 5 A 1 ATOM 39 O O . PRO A 1 5 ? -4.051 -0.727 0.776 1.00 95.41 5 A 1 ATOM 40 C CB . PRO A 1 5 ? -6.841 -2.502 0.808 1.00 94.15 5 A 1 ATOM 41 C CG . PRO A 1 5 ? -8.019 -2.926 1.621 1.00 91.55 5 A 1 ATOM 42 C CD . PRO A 1 5 ? -8.097 -1.952 2.759 1.00 93.59 5 A 1 ATOM 43 N N . GLN A 1 6 ? -5.886 0.459 1.316 1.00 96.57 6 A 1 ATOM 44 C CA . GLN A 1 6 ? -5.357 1.718 0.805 1.00 96.64 6 A 1 ATOM 45 C C . GLN A 1 6 ? -4.168 2.183 1.637 1.00 97.19 6 A 1 ATOM 46 O O . GLN A 1 6 ? -3.138 2.597 1.100 1.00 96.50 6 A 1 ATOM 47 C CB . GLN A 1 6 ? -6.446 2.789 0.816 1.00 96.06 6 A 1 ATOM 48 C CG . GLN A 1 6 ? -7.672 2.425 0.015 1.00 91.33 6 A 1 ATOM 49 C CD . GLN A 1 6 ? -7.350 2.228 -1.456 1.00 88.61 6 A 1 ATOM 50 O OE1 . GLN A 1 6 ? -6.963 1.149 -1.873 1.00 83.66 6 A 1 ATOM 51 N NE2 . GLN A 1 6 ? -7.494 3.279 -2.231 1.00 81.92 6 A 1 ATOM 52 N N . LEU A 1 7 ? -4.315 2.116 2.946 1.00 96.56 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -3.246 2.515 3.855 1.00 96.92 7 A 1 ATOM 54 C C . LEU A 1 7 ? -2.017 1.633 3.679 1.00 97.25 7 A 1 ATOM 55 O O . LEU A 1 7 ? -0.886 2.123 3.665 1.00 96.91 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.736 2.432 5.300 1.00 96.97 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -4.744 3.506 5.684 1.00 93.76 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -5.354 3.202 7.037 1.00 89.41 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -4.071 4.871 5.711 1.00 89.47 7 A 1 ATOM 60 N N . LEU A 1 8 ? -2.248 0.342 3.544 1.00 96.49 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -1.159 -0.610 3.353 1.00 96.59 8 A 1 ATOM 62 C C . LEU A 1 8 ? -0.430 -0.336 2.044 1.00 96.99 8 A 1 ATOM 63 O O . LEU A 1 8 ? 0.800 -0.341 1.990 1.00 97.16 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -1.704 -2.036 3.360 1.00 96.46 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -0.644 -3.115 3.218 1.00 90.81 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 0.322 -3.074 4.393 1.00 88.13 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -1.295 -4.482 3.116 1.00 88.74 8 A 1 ATOM 68 N N . PHE A 1 9 ? -1.196 -0.109 0.994 1.00 96.23 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -0.636 0.196 -0.316 1.00 96.10 9 A 1 ATOM 70 C C . PHE A 1 9 ? 0.205 1.466 -0.272 1.00 96.69 9 A 1 ATOM 71 O O . PHE A 1 9 ? 1.313 1.509 -0.812 1.00 96.52 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -1.764 0.349 -1.331 1.00 95.66 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -1.287 0.852 -2.662 1.00 93.22 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -0.528 0.043 -3.486 1.00 90.35 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -1.599 2.132 -3.080 1.00 90.79 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -0.081 0.503 -4.711 1.00 89.91 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -1.151 2.600 -4.306 1.00 89.41 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -0.391 1.784 -5.122 1.00 90.15 9 A 1 ATOM 79 N N . LEU A 1 10 ? -0.328 2.487 0.376 1.00 97.04 10 A 1 ATOM 80 C CA . LEU A 1 10 ? 0.364 3.764 0.499 1.00 97.08 10 A 1 ATOM 81 C C . LEU A 1 10 ? 1.679 3.599 1.249 1.00 97.47 10 A 1 ATOM 82 O O . LEU A 1 10 ? 2.704 4.157 0.865 1.00 97.34 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -0.526 4.780 1.226 1.00 96.92 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -1.038 5.929 0.361 1.00 91.96 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? 0.123 6.763 -0.148 1.00 89.34 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -1.853 5.382 -0.796 1.00 89.90 10 A 1 ATOM 87 N N . LEU A 1 11 ? 1.634 2.838 2.319 1.00 96.84 11 A 1 ATOM 88 C CA . LEU A 1 11 ? 2.822 2.588 3.126 1.00 96.89 11 A 1 ATOM 89 C C . LEU A 1 11 ? 3.884 1.850 2.324 1.00 97.38 11 A 1 ATOM 90 O O . LEU A 1 11 ? 5.061 2.211 2.349 1.00 97.36 11 A 1 ATOM 91 C CB . LEU A 1 11 ? 2.447 1.777 4.365 1.00 96.79 11 A 1 ATOM 92 C CG . LEU A 1 11 ? 3.584 1.571 5.361 1.00 91.03 11 A 1 ATOM 93 C CD1 . LEU A 1 11 ? 4.054 2.906 5.924 1.00 88.45 11 A 1 ATOM 94 C CD2 . LEU A 1 11 ? 3.139 0.655 6.486 1.00 89.57 11 A 1 ATOM 95 N N . LEU A 1 12 ? 3.465 0.816 1.617 1.00 97.15 12 A 1 ATOM 96 C CA . LEU A 1 12 ? 4.379 0.026 0.801 1.00 97.14 12 A 1 ATOM 97 C C . LEU A 1 12 ? 5.021 0.883 -0.282 1.00 97.57 12 A 1 ATOM 98 O O . LEU A 1 12 ? 6.230 0.811 -0.516 1.00 97.39 12 A 1 ATOM 99 C CB . LEU A 1 12 ? 3.630 -1.143 0.163 1.00 96.64 12 A 1 ATOM 100 C CG . LEU A 1 12 ? 4.510 -2.110 -0.613 1.00 91.85 12 A 1 ATOM 101 C CD1 . LEU A 1 12 ? 5.498 -2.797 0.316 1.00 89.55 12 A 1 ATOM 102 C CD2 . LEU A 1 12 ? 3.657 -3.135 -1.334 1.00 89.49 12 A 1 ATOM 103 N N . ALA A 1 13 ? 4.210 1.692 -0.932 1.00 97.52 13 A 1 ATOM 104 C CA . ALA A 1 13 ? 4.695 2.582 -1.976 1.00 97.46 13 A 1 ATOM 105 C C . ALA A 1 13 ? 5.691 3.589 -1.410 1.00 97.82 13 A 1 ATOM 106 O O . ALA A 1 13 ? 6.699 3.904 -2.045 1.00 97.12 13 A 1 ATOM 107 C CB . ALA A 1 13 ? 3.523 3.308 -2.623 1.00 96.81 13 A 1 ATOM 108 N N . SER A 1 14 ? 5.417 4.071 -0.209 1.00 97.38 14 A 1 ATOM 109 C CA . SER A 1 14 ? 6.286 5.032 0.454 1.00 97.44 14 A 1 ATOM 110 C C . SER A 1 14 ? 7.651 4.425 0.751 1.00 97.67 14 A 1 ATOM 111 O O . SER A 1 14 ? 8.679 5.077 0.575 1.00 96.88 14 A 1 ATOM 112 C CB . SER A 1 14 ? 5.648 5.518 1.752 1.00 96.65 14 A 1 ATOM 113 O OG . SER A 1 14 ? 4.428 6.175 1.493 1.00 88.15 14 A 1 ATOM 114 N N . ILE A 1 15 ? 7.654 3.180 1.188 1.00 97.46 15 A 1 ATOM 115 C CA . ILE A 1 15 ? 8.897 2.481 1.494 1.00 97.01 15 A 1 ATOM 116 C C . ILE A 1 15 ? 9.756 2.351 0.245 1.00 97.30 15 A 1 ATOM 117 O O . ILE A 1 15 ? 10.955 2.642 0.262 1.00 96.48 15 A 1 ATOM 118 C CB . ILE A 1 15 ? 8.614 1.091 2.086 1.00 96.07 15 A 1 ATOM 119 C CG1 . ILE A 1 15 ? 7.937 1.225 3.450 1.00 92.87 15 A 1 ATOM 120 C CG2 . ILE A 1 15 ? 9.915 0.302 2.221 1.00 92.40 15 A 1 ATOM 121 C CD1 . ILE A 1 15 ? 7.358 -0.071 3.967 1.00 88.91 15 A 1 ATOM 122 N N . GLY A 1 16 ? 9.136 1.902 -0.833 1.00 97.58 16 A 1 ATOM 123 C CA . GLY A 1 16 ? 9.856 1.747 -2.091 1.00 97.38 16 A 1 ATOM 124 C C . GLY A 1 16 ? 10.373 3.066 -2.621 1.00 97.65 16 A 1 ATOM 125 O O . GLY A 1 16 ? 11.506 3.158 -3.101 1.00 96.94 16 A 1 ATOM 126 N N . LEU A 1 17 ? 9.548 4.089 -2.523 1.00 96.98 17 A 1 ATOM 127 C CA . LEU A 1 17 ? 9.916 5.421 -2.986 1.00 96.78 17 A 1 ATOM 128 C C . LEU A 1 17 ? 11.028 6.015 -2.134 1.00 96.95 17 A 1 ATOM 129 O O . LEU A 1 17 ? 11.950 6.651 -2.651 1.00 95.60 17 A 1 ATOM 130 C CB . LEU A 1 17 ? 8.696 6.335 -2.955 1.00 96.01 17 A 1 ATOM 131 C CG . LEU A 1 17 ? 8.931 7.719 -3.537 1.00 91.42 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? 9.215 7.628 -5.026 1.00 87.78 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? 7.737 8.610 -3.270 1.00 85.91 17 A 1 ATOM 134 N N . LEU A 1 18 ? 10.939 5.812 -0.836 1.00 95.47 18 A 1 ATOM 135 C CA . LEU A 1 18 ? 11.936 6.322 0.096 1.00 94.52 18 A 1 ATOM 136 C C . LEU A 1 18 ? 13.288 5.659 -0.123 1.00 94.96 18 A 1 ATOM 137 O O . LEU A 1 18 ? 14.336 6.280 0.068 1.00 93.14 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 11.473 6.085 1.532 1.00 93.12 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 12.286 6.820 2.589 1.00 89.74 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 12.038 8.316 2.512 1.00 85.19 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 11.940 6.296 3.971 1.00 82.74 18 A 1 ATOM 142 N N . SER A 1 19 ? 13.275 4.394 -0.526 1.00 95.07 19 A 1 ATOM 143 C CA . SER A 1 19 ? 14.496 3.631 -0.767 1.00 94.69 19 A 1 ATOM 144 C C . SER A 1 19 ? 15.132 3.969 -2.110 1.00 94.21 19 A 1 ATOM 145 O O . SER A 1 19 ? 16.229 3.506 -2.415 1.00 89.89 19 A 1 ATOM 146 C CB . SER A 1 19 ? 14.204 2.133 -0.707 1.00 92.18 19 A 1 ATOM 147 O OG . SER A 1 19 ? 13.688 1.774 0.559 1.00 81.80 19 A 1 ATOM 148 N N . ALA A 1 20 ? 14.446 4.764 -2.906 1.00 93.21 20 A 1 ATOM 149 C CA . ALA A 1 20 ? 14.934 5.137 -4.223 1.00 91.00 20 A 1 ATOM 150 C C . ALA A 1 20 ? 15.933 6.290 -4.135 1.00 88.16 20 A 1 ATOM 151 O O . ALA A 1 20 ? 15.920 7.028 -3.140 1.00 82.26 20 A 1 ATOM 152 C CB . ALA A 1 20 ? 13.769 5.508 -5.132 1.00 86.12 20 A 1 ATOM 153 O OXT . ALA A 1 20 ? 16.727 6.457 -5.064 1.00 76.61 20 A 1 #