# 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_spkb25514 # _entry.id spkb25514 # 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 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" "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 PRO 2 1 n GLN 3 1 n CYS 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n LEU 10 1 n LEU 11 1 n GLY 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n LEU 16 1 n SER 17 1 n SER 18 1 n ALA 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 @ 2025-07-08 21:55:02)" _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 91.73 _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 82.34 1 1 A PRO 2 2 87.98 1 2 A GLN 3 2 88.10 1 3 A CYS 4 2 93.12 1 4 A ALA 5 2 95.83 1 5 A LEU 6 2 92.24 1 6 A LEU 7 2 91.82 1 7 A LEU 8 2 92.88 1 8 A SER 9 2 93.82 1 9 A LEU 10 2 93.62 1 10 A LEU 11 2 93.55 1 11 A GLY 12 2 95.86 1 12 A LEU 13 2 94.23 1 13 A LEU 14 2 93.59 1 14 A ALA 15 2 96.51 1 15 A LEU 16 2 92.99 1 16 A SER 17 2 93.70 1 17 A SER 18 2 90.64 1 18 A ALA 19 2 84.73 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 PRO . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ALA . 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 SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 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 ? -13.845 -4.771 -6.035 1.00 88.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.588 -4.014 -4.800 1.00 89.02 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.327 -3.161 -4.930 1.00 90.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.253 -3.574 -4.498 1.00 88.22 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.436 -4.966 -3.612 1.00 84.58 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.758 -5.604 -3.222 1.00 79.29 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.595 -6.626 -1.753 1.00 74.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.316 -6.945 -1.409 1.00 64.77 1 A 1 ATOM 9 N N . PRO A 1 2 ? -12.461 -1.977 -5.526 1.00 88.83 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -11.318 -1.066 -5.681 1.00 91.50 2 A 1 ATOM 11 C C . PRO A 1 2 ? -10.835 -0.505 -4.350 1.00 92.46 2 A 1 ATOM 12 O O . PRO A 1 2 ? -9.658 -0.160 -4.211 1.00 88.21 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -11.870 0.050 -6.574 1.00 86.50 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -13.344 0.030 -6.340 1.00 82.56 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -13.702 -1.408 -6.054 1.00 85.82 2 A 1 ATOM 16 N N . GLN A 1 3 ? -11.734 -0.405 -3.371 1.00 92.96 3 A 1 ATOM 17 C CA . GLN A 1 3 ? -11.381 0.118 -2.056 1.00 93.78 3 A 1 ATOM 18 C C . GLN A 1 3 ? -10.314 -0.750 -1.401 1.00 94.25 3 A 1 ATOM 19 O O . GLN A 1 3 ? -9.339 -0.241 -0.845 1.00 93.18 3 A 1 ATOM 20 C CB . GLN A 1 3 ? -12.613 0.189 -1.155 1.00 92.38 3 A 1 ATOM 21 C CG . GLN A 1 3 ? -13.698 1.110 -1.676 1.00 87.12 3 A 1 ATOM 22 C CD . GLN A 1 3 ? -14.808 0.333 -2.359 1.00 83.54 3 A 1 ATOM 23 O OE1 . GLN A 1 3 ? -14.588 -0.723 -2.926 1.00 78.65 3 A 1 ATOM 24 N NE2 . GLN A 1 3 ? -16.023 0.844 -2.293 1.00 77.08 3 A 1 ATOM 25 N N . CYS A 1 4 ? -10.495 -2.068 -1.470 1.00 94.10 4 A 1 ATOM 26 C CA . CYS A 1 4 ? -9.540 -2.998 -0.880 1.00 95.03 4 A 1 ATOM 27 C C . CYS A 1 4 ? -8.174 -2.866 -1.541 1.00 95.67 4 A 1 ATOM 28 O O . CYS A 1 4 ? -7.143 -2.901 -0.876 1.00 94.37 4 A 1 ATOM 29 C CB . CYS A 1 4 ? -10.053 -4.432 -1.017 1.00 93.22 4 A 1 ATOM 30 S SG . CYS A 1 4 ? -11.570 -4.710 -0.085 1.00 86.31 4 A 1 ATOM 31 N N . ALA A 1 5 ? -8.176 -2.709 -2.857 1.00 95.25 5 A 1 ATOM 32 C CA . ALA A 1 5 ? -6.935 -2.553 -3.608 1.00 95.99 5 A 1 ATOM 33 C C . ALA A 1 5 ? -6.211 -1.272 -3.208 1.00 96.74 5 A 1 ATOM 34 O O . ALA A 1 5 ? -4.990 -1.265 -3.049 1.00 95.92 5 A 1 ATOM 35 C CB . ALA A 1 5 ? -7.233 -2.549 -5.100 1.00 95.26 5 A 1 ATOM 36 N N . LEU A 1 6 ? -6.971 -0.194 -3.048 1.00 94.73 6 A 1 ATOM 37 C CA . LEU A 1 6 ? -6.400 1.089 -2.651 1.00 95.11 6 A 1 ATOM 38 C C . LEU A 1 6 ? -5.812 1.017 -1.249 1.00 96.18 6 A 1 ATOM 39 O O . LEU A 1 6 ? -4.710 1.508 -1.004 1.00 96.19 6 A 1 ATOM 40 C CB . LEU A 1 6 ? -7.471 2.177 -2.711 1.00 95.03 6 A 1 ATOM 41 C CG . LEU A 1 6 ? -7.888 2.558 -4.125 1.00 88.59 6 A 1 ATOM 42 C CD1 . LEU A 1 6 ? -9.099 3.473 -4.091 1.00 85.96 6 A 1 ATOM 43 C CD2 . LEU A 1 6 ? -6.742 3.230 -4.861 1.00 86.16 6 A 1 ATOM 44 N N . LEU A 1 7 ? -6.549 0.396 -0.336 1.00 94.57 7 A 1 ATOM 45 C CA . LEU A 1 7 ? -6.079 0.243 1.039 1.00 94.96 7 A 1 ATOM 46 C C . LEU A 1 7 ? -4.811 -0.594 1.083 1.00 95.97 7 A 1 ATOM 47 O O . LEU A 1 7 ? -3.858 -0.266 1.792 1.00 96.18 7 A 1 ATOM 48 C CB . LEU A 1 7 ? -7.168 -0.407 1.894 1.00 95.02 7 A 1 ATOM 49 C CG . LEU A 1 7 ? -8.355 0.500 2.188 1.00 87.92 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? -9.481 -0.289 2.836 1.00 85.00 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? -7.938 1.653 3.094 1.00 84.93 7 A 1 ATOM 52 N N . LEU A 1 8 ? -4.796 -1.669 0.320 1.00 95.76 8 A 1 ATOM 53 C CA . LEU A 1 8 ? -3.630 -2.541 0.253 1.00 95.73 8 A 1 ATOM 54 C C . LEU A 1 8 ? -2.443 -1.800 -0.351 1.00 96.47 8 A 1 ATOM 55 O O . LEU A 1 8 ? -1.305 -1.966 0.092 1.00 96.55 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -3.957 -3.781 -0.576 1.00 95.51 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -2.857 -4.834 -0.572 1.00 88.91 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -2.680 -5.422 0.822 1.00 86.96 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -3.184 -5.937 -1.567 1.00 87.18 8 A 1 ATOM 60 N N . SER A 1 9 ? -2.711 -0.978 -1.352 1.00 95.47 9 A 1 ATOM 61 C CA . SER A 1 9 ? -1.670 -0.186 -2.000 1.00 95.76 9 A 1 ATOM 62 C C . SER A 1 9 ? -1.047 0.791 -1.014 1.00 96.42 9 A 1 ATOM 63 O O . SER A 1 9 ? 0.176 0.946 -0.969 1.00 95.45 9 A 1 ATOM 64 C CB . SER A 1 9 ? -2.248 0.577 -3.186 1.00 95.15 9 A 1 ATOM 65 O OG . SER A 1 9 ? -1.235 1.322 -3.826 1.00 84.69 9 A 1 ATOM 66 N N . LEU A 1 10 ? -1.894 1.438 -0.220 1.00 95.73 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -1.415 2.384 0.785 1.00 95.79 10 A 1 ATOM 68 C C . LEU A 1 10 ? -0.568 1.673 1.831 1.00 96.46 10 A 1 ATOM 69 O O . LEU A 1 10 ? 0.477 2.179 2.250 1.00 96.29 10 A 1 ATOM 70 C CB . LEU A 1 10 ? -2.606 3.073 1.457 1.00 95.61 10 A 1 ATOM 71 C CG . LEU A 1 10 ? -3.337 4.065 0.557 1.00 91.74 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? -4.638 4.517 1.204 1.00 88.67 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? -2.455 5.273 0.265 1.00 88.71 10 A 1 ATOM 74 N N . LEU A 1 11 ? -1.015 0.494 2.244 1.00 95.86 11 A 1 ATOM 75 C CA . LEU A 1 11 ? -0.282 -0.301 3.223 1.00 95.84 11 A 1 ATOM 76 C C . LEU A 1 11 ? 1.077 -0.704 2.667 1.00 96.31 11 A 1 ATOM 77 O O . LEU A 1 11 ? 2.094 -0.633 3.363 1.00 95.76 11 A 1 ATOM 78 C CB . LEU A 1 11 ? -1.091 -1.546 3.593 1.00 95.42 11 A 1 ATOM 79 C CG . LEU A 1 11 ? -0.482 -2.371 4.722 1.00 92.05 11 A 1 ATOM 80 C CD1 . LEU A 1 11 ? -0.549 -1.623 6.040 1.00 88.99 11 A 1 ATOM 81 C CD2 . LEU A 1 11 ? -1.196 -3.707 4.842 1.00 88.18 11 A 1 ATOM 82 N N . GLY A 1 12 ? 1.088 -1.128 1.414 1.00 95.78 12 A 1 ATOM 83 C CA . GLY A 1 12 ? 2.332 -1.519 0.763 1.00 95.62 12 A 1 ATOM 84 C C . GLY A 1 12 ? 3.287 -0.349 0.631 1.00 96.41 12 A 1 ATOM 85 O O . GLY A 1 12 ? 4.493 -0.492 0.838 1.00 95.63 12 A 1 ATOM 86 N N . LEU A 1 13 ? 2.742 0.813 0.298 1.00 96.32 13 A 1 ATOM 87 C CA . LEU A 1 13 ? 3.543 2.027 0.171 1.00 96.31 13 A 1 ATOM 88 C C . LEU A 1 13 ? 4.173 2.391 1.507 1.00 96.80 13 A 1 ATOM 89 O O . LEU A 1 13 ? 5.343 2.779 1.570 1.00 95.89 13 A 1 ATOM 90 C CB . LEU A 1 13 ? 2.671 3.178 -0.328 1.00 95.87 13 A 1 ATOM 91 C CG . LEU A 1 13 ? 3.438 4.466 -0.612 1.00 93.00 13 A 1 ATOM 92 C CD1 . LEU A 1 13 ? 4.387 4.285 -1.781 1.00 90.37 13 A 1 ATOM 93 C CD2 . LEU A 1 13 ? 2.472 5.606 -0.884 1.00 89.31 13 A 1 ATOM 94 N N . LEU A 1 14 ? 3.397 2.269 2.575 1.00 96.21 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 3.887 2.563 3.918 1.00 95.76 14 A 1 ATOM 96 C C . LEU A 1 14 ? 5.013 1.610 4.295 1.00 96.32 14 A 1 ATOM 97 O O . LEU A 1 14 ? 6.036 2.025 4.848 1.00 95.77 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 2.745 2.445 4.930 1.00 95.26 14 A 1 ATOM 99 C CG . LEU A 1 14 ? 3.122 2.848 6.354 1.00 92.27 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? 3.411 4.336 6.436 1.00 88.71 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? 2.016 2.472 7.323 1.00 88.40 14 A 1 ATOM 102 N N . ALA A 1 15 ? 4.825 0.331 3.991 1.00 97.03 15 A 1 ATOM 103 C CA . ALA A 1 15 ? 5.833 -0.681 4.289 1.00 96.81 15 A 1 ATOM 104 C C . ALA A 1 15 ? 7.115 -0.414 3.509 1.00 97.00 15 A 1 ATOM 105 O O . ALA A 1 15 ? 8.216 -0.532 4.049 1.00 95.81 15 A 1 ATOM 106 C CB . ALA A 1 15 ? 5.290 -2.066 3.958 1.00 95.91 15 A 1 ATOM 107 N N . LEU A 1 16 ? 6.970 -0.044 2.246 1.00 96.83 16 A 1 ATOM 108 C CA . LEU A 1 16 ? 8.123 0.259 1.400 1.00 96.26 16 A 1 ATOM 109 C C . LEU A 1 16 ? 8.856 1.489 1.912 1.00 96.44 16 A 1 ATOM 110 O O . LEU A 1 16 ? 10.088 1.533 1.931 1.00 95.08 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 7.669 0.480 -0.040 1.00 95.46 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 8.808 0.699 -1.029 1.00 91.71 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? 9.644 -0.562 -1.180 1.00 87.10 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 8.264 1.135 -2.379 1.00 85.06 16 A 1 ATOM 115 N N . SER A 1 17 ? 8.096 2.497 2.326 1.00 96.53 17 A 1 ATOM 116 C CA . SER A 1 17 ? 8.671 3.733 2.855 1.00 96.08 17 A 1 ATOM 117 C C . SER A 1 17 ? 9.414 3.471 4.160 1.00 95.93 17 A 1 ATOM 118 O O . SER A 1 17 ? 10.428 4.112 4.447 1.00 93.89 17 A 1 ATOM 119 C CB . SER A 1 17 ? 7.574 4.771 3.085 1.00 94.54 17 A 1 ATOM 120 O OG . SER A 1 17 ? 8.129 5.976 3.567 1.00 85.24 17 A 1 ATOM 121 N N . SER A 1 18 ? 8.909 2.535 4.951 1.00 94.54 18 A 1 ATOM 122 C CA . SER A 1 18 ? 9.523 2.175 6.229 1.00 93.98 18 A 1 ATOM 123 C C . SER A 1 18 ? 10.797 1.358 6.029 1.00 92.93 18 A 1 ATOM 124 O O . SER A 1 18 ? 11.659 1.310 6.908 1.00 89.03 18 A 1 ATOM 125 C CB . SER A 1 18 ? 8.536 1.382 7.086 1.00 91.53 18 A 1 ATOM 126 O OG . SER A 1 18 ? 9.101 1.075 8.341 1.00 81.84 18 A 1 ATOM 127 N N . ALA A 1 19 ? 10.919 0.707 4.873 1.00 92.09 19 A 1 ATOM 128 C CA . ALA A 1 19 ? 12.073 -0.125 4.569 1.00 89.22 19 A 1 ATOM 129 C C . ALA A 1 19 ? 13.320 0.724 4.310 1.00 86.54 19 A 1 ATOM 130 O O . ALA A 1 19 ? 13.198 1.927 4.031 1.00 81.75 19 A 1 ATOM 131 C CB . ALA A 1 19 ? 11.777 -1.016 3.369 1.00 83.49 19 A 1 ATOM 132 O OXT . ALA A 1 19 ? 14.432 0.190 4.377 1.00 75.27 19 A 1 #