# 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_spkb33297 # _entry.id spkb33297 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 TRP 2 1 n PRO 3 1 n LEU 4 1 n VAL 5 1 n VAL 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n SER 12 1 n VAL 13 1 n ARG 14 1 n CYS 15 1 n GLY 16 1 n SER 17 1 n ALA 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 @ 2025-07-11 23:59:36)" _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 91.70 _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 84.23 1 1 A TRP 2 2 87.47 1 2 A PRO 3 2 95.49 1 3 A LEU 4 2 94.04 1 4 A VAL 5 2 96.59 1 5 A VAL 6 2 96.41 1 6 A VAL 7 2 96.18 1 7 A LEU 8 2 94.49 1 8 A LEU 9 2 94.80 1 9 A LEU 10 2 94.19 1 10 A GLY 11 2 96.91 1 11 A SER 12 2 94.90 1 12 A VAL 13 2 95.01 1 13 A ARG 14 2 88.50 1 14 A CYS 15 2 89.49 1 15 A GLY 16 2 92.78 1 16 A SER 17 2 85.90 1 17 A ALA 18 2 78.95 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 TRP . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 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 ? -11.039 1.722 6.340 1.00 90.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.300 1.191 7.503 1.00 91.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.156 0.293 7.044 1.00 92.17 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.988 0.579 7.301 1.00 89.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.252 0.401 8.409 1.00 85.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.376 1.271 8.956 1.00 79.74 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.667 0.299 9.725 1.00 76.49 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.802 1.592 10.196 1.00 67.96 1 A 1 ATOM 9 N N . TRP A 1 2 ? -9.504 -0.802 6.358 1.00 92.98 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -8.485 -1.712 5.843 1.00 94.28 2 A 1 ATOM 11 C C . TRP A 1 2 ? -7.712 -1.103 4.673 1.00 95.53 2 A 1 ATOM 12 O O . TRP A 1 2 ? -6.484 -1.177 4.636 1.00 94.27 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -9.132 -3.033 5.420 1.00 91.86 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -8.598 -4.202 6.180 1.00 88.37 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -9.106 -4.733 7.314 1.00 85.17 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -7.430 -4.988 5.857 1.00 86.99 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -8.338 -5.798 7.723 1.00 83.69 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -7.304 -5.975 6.848 1.00 85.35 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -6.500 -4.942 4.819 1.00 82.57 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? -6.263 -6.910 6.819 1.00 82.23 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -5.469 -5.875 4.797 1.00 80.89 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? -5.358 -6.845 5.789 1.00 80.35 2 A 1 ATOM 23 N N . PRO A 1 3 ? -8.422 -0.499 3.711 1.00 96.47 3 A 1 ATOM 24 C CA . PRO A 1 3 ? -7.744 0.123 2.560 1.00 96.89 3 A 1 ATOM 25 C C . PRO A 1 3 ? -6.767 1.212 2.986 1.00 97.48 3 A 1 ATOM 26 O O . PRO A 1 3 ? -5.828 1.533 2.257 1.00 96.26 3 A 1 ATOM 27 C CB . PRO A 1 3 ? -8.898 0.699 1.726 1.00 94.92 3 A 1 ATOM 28 C CG . PRO A 1 3 ? -10.050 0.797 2.664 1.00 91.88 3 A 1 ATOM 29 C CD . PRO A 1 3 ? -9.877 -0.350 3.619 1.00 94.51 3 A 1 ATOM 30 N N . LEU A 1 4 ? -6.974 1.768 4.158 1.00 96.93 4 A 1 ATOM 31 C CA . LEU A 1 4 ? -6.094 2.808 4.683 1.00 97.00 4 A 1 ATOM 32 C C . LEU A 1 4 ? -4.673 2.263 4.845 1.00 97.39 4 A 1 ATOM 33 O O . LEU A 1 4 ? -3.691 2.941 4.545 1.00 96.89 4 A 1 ATOM 34 C CB . LEU A 1 4 ? -6.622 3.317 6.032 1.00 96.52 4 A 1 ATOM 35 C CG . LEU A 1 4 ? -6.352 4.801 6.293 1.00 91.67 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? -4.861 5.094 6.321 1.00 87.84 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? -7.049 5.641 5.228 1.00 88.07 4 A 1 ATOM 38 N N . VAL A 1 5 ? -4.574 1.032 5.311 1.00 97.68 5 A 1 ATOM 39 C CA . VAL A 1 5 ? -3.276 0.378 5.500 1.00 97.63 5 A 1 ATOM 40 C C . VAL A 1 5 ? -2.565 0.216 4.157 1.00 97.64 5 A 1 ATOM 41 O O . VAL A 1 5 ? -1.355 0.433 4.049 1.00 97.17 5 A 1 ATOM 42 C CB . VAL A 1 5 ? -3.444 -1.001 6.164 1.00 97.16 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? -2.089 -1.669 6.354 1.00 94.54 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? -4.162 -0.861 7.495 1.00 94.30 5 A 1 ATOM 45 N N . VAL A 1 6 ? -3.321 -0.173 3.144 1.00 97.50 6 A 1 ATOM 46 C CA . VAL A 1 6 ? -2.771 -0.357 1.800 1.00 97.30 6 A 1 ATOM 47 C C . VAL A 1 6 ? -2.220 0.966 1.268 1.00 97.35 6 A 1 ATOM 48 O O . VAL A 1 6 ? -1.138 1.009 0.675 1.00 96.96 6 A 1 ATOM 49 C CB . VAL A 1 6 ? -3.841 -0.897 0.836 1.00 96.80 6 A 1 ATOM 50 C CG1 . VAL A 1 6 ? -3.256 -1.087 -0.561 1.00 94.64 6 A 1 ATOM 51 C CG2 . VAL A 1 6 ? -4.408 -2.207 1.357 1.00 94.31 6 A 1 ATOM 52 N N . VAL A 1 7 ? -2.963 2.026 1.486 1.00 97.22 7 A 1 ATOM 53 C CA . VAL A 1 7 ? -2.549 3.357 1.039 1.00 96.95 7 A 1 ATOM 54 C C . VAL A 1 7 ? -1.232 3.751 1.707 1.00 97.24 7 A 1 ATOM 55 O O . VAL A 1 7 ? -0.337 4.307 1.067 1.00 96.96 7 A 1 ATOM 56 C CB . VAL A 1 7 ? -3.630 4.406 1.363 1.00 96.39 7 A 1 ATOM 57 C CG1 . VAL A 1 7 ? -3.164 5.802 0.967 1.00 94.30 7 A 1 ATOM 58 C CG2 . VAL A 1 7 ? -4.928 4.063 0.651 1.00 94.17 7 A 1 ATOM 59 N N . LEU A 1 8 ? -1.123 3.447 2.983 1.00 96.64 8 A 1 ATOM 60 C CA . LEU A 1 8 ? 0.088 3.758 3.740 1.00 96.54 8 A 1 ATOM 61 C C . LEU A 1 8 ? 1.287 2.999 3.175 1.00 96.97 8 A 1 ATOM 62 O O . LEU A 1 8 ? 2.376 3.556 3.034 1.00 96.90 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -0.109 3.385 5.212 1.00 96.58 8 A 1 ATOM 64 C CG . LEU A 1 8 ? 1.036 3.827 6.122 1.00 92.31 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? 1.075 5.347 6.241 1.00 89.66 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? 0.872 3.199 7.500 1.00 90.35 8 A 1 ATOM 67 N N . LEU A 1 9 ? 1.082 1.730 2.853 1.00 96.95 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 2.140 0.892 2.297 1.00 96.69 9 A 1 ATOM 69 C C . LEU A 1 9 ? 2.595 1.420 0.942 1.00 97.00 9 A 1 ATOM 70 O O . LEU A 1 9 ? 3.797 1.498 0.671 1.00 96.92 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 1.632 -0.548 2.154 1.00 96.64 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 1.466 -1.293 3.478 1.00 92.48 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 0.686 -2.585 3.263 1.00 90.69 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 2.822 -1.601 4.093 1.00 91.02 9 A 1 ATOM 75 N N . LEU A 1 10 ? 1.632 1.779 0.097 1.00 97.07 10 A 1 ATOM 76 C CA . LEU A 1 10 ? 1.931 2.305 -1.233 1.00 96.65 10 A 1 ATOM 77 C C . LEU A 1 10 ? 2.741 3.592 -1.134 1.00 96.74 10 A 1 ATOM 78 O O . LEU A 1 10 ? 3.726 3.783 -1.850 1.00 96.13 10 A 1 ATOM 79 C CB . LEU A 1 10 ? 0.628 2.557 -2.004 1.00 96.20 10 A 1 ATOM 80 C CG . LEU A 1 10 ? 0.290 1.501 -3.051 1.00 91.64 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? 1.328 1.531 -4.164 1.00 89.70 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? 0.237 0.124 -2.412 1.00 89.36 10 A 1 ATOM 83 N N . GLY A 1 11 ? 2.315 4.474 -0.244 1.00 97.18 11 A 1 ATOM 84 C CA . GLY A 1 11 ? 3.018 5.736 -0.048 1.00 96.86 11 A 1 ATOM 85 C C . GLY A 1 11 ? 4.423 5.524 0.489 1.00 97.19 11 A 1 ATOM 86 O O . GLY A 1 11 ? 5.363 6.210 0.088 1.00 96.42 11 A 1 ATOM 87 N N . SER A 1 12 ? 4.575 4.567 1.390 1.00 97.36 12 A 1 ATOM 88 C CA . SER A 1 12 ? 5.872 4.257 1.983 1.00 97.16 12 A 1 ATOM 89 C C . SER A 1 12 ? 6.835 3.708 0.937 1.00 97.17 12 A 1 ATOM 90 O O . SER A 1 12 ? 8.003 4.086 0.901 1.00 95.85 12 A 1 ATOM 91 C CB . SER A 1 12 ? 5.709 3.237 3.109 1.00 96.34 12 A 1 ATOM 92 O OG . SER A 1 12 ? 6.947 3.002 3.737 1.00 85.50 12 A 1 ATOM 93 N N . VAL A 1 13 ? 6.348 2.810 0.085 1.00 97.20 13 A 1 ATOM 94 C CA . VAL A 1 13 ? 7.169 2.218 -0.971 1.00 96.82 13 A 1 ATOM 95 C C . VAL A 1 13 ? 7.626 3.283 -1.964 1.00 96.96 13 A 1 ATOM 96 O O . VAL A 1 13 ? 8.779 3.284 -2.403 1.00 95.65 13 A 1 ATOM 97 C CB . VAL A 1 13 ? 6.393 1.122 -1.715 1.00 95.80 13 A 1 ATOM 98 C CG1 . VAL A 1 13 ? 7.200 0.601 -2.895 1.00 91.22 13 A 1 ATOM 99 C CG2 . VAL A 1 13 ? 6.061 -0.010 -0.767 1.00 91.41 13 A 1 ATOM 100 N N . ARG A 1 14 ? 6.717 4.177 -2.315 1.00 96.84 14 A 1 ATOM 101 C CA . ARG A 1 14 ? 7.025 5.237 -3.278 1.00 96.65 14 A 1 ATOM 102 C C . ARG A 1 14 ? 7.997 6.263 -2.708 1.00 96.65 14 A 1 ATOM 103 O O . ARG A 1 14 ? 8.839 6.791 -3.428 1.00 95.22 14 A 1 ATOM 104 C CB . ARG A 1 14 ? 5.733 5.934 -3.702 1.00 95.46 14 A 1 ATOM 105 C CG . ARG A 1 14 ? 4.904 5.107 -4.653 1.00 89.24 14 A 1 ATOM 106 C CD . ARG A 1 14 ? 5.379 5.305 -6.084 1.00 87.37 14 A 1 ATOM 107 N NE . ARG A 1 14 ? 4.977 6.627 -6.586 1.00 83.24 14 A 1 ATOM 108 C CZ . ARG A 1 14 ? 5.398 7.143 -7.728 1.00 81.37 14 A 1 ATOM 109 N NH1 . ARG A 1 14 ? 6.245 6.487 -8.491 1.00 74.93 14 A 1 ATOM 110 N NH2 . ARG A 1 14 ? 4.977 8.336 -8.107 1.00 76.53 14 A 1 ATOM 111 N N . CYS A 1 15 ? 7.879 6.539 -1.431 1.00 94.40 15 A 1 ATOM 112 C CA . CYS A 1 15 ? 8.736 7.528 -0.775 1.00 93.98 15 A 1 ATOM 113 C C . CYS A 1 15 ? 9.920 6.893 -0.042 1.00 94.20 15 A 1 ATOM 114 O O . CYS A 1 15 ? 10.968 7.518 0.117 1.00 90.16 15 A 1 ATOM 115 C CB . CYS A 1 15 ? 7.906 8.359 0.209 1.00 90.19 15 A 1 ATOM 116 S SG . CYS A 1 15 ? 8.827 9.751 0.881 1.00 73.99 15 A 1 ATOM 117 N N . GLY A 1 16 ? 9.744 5.658 0.396 1.00 94.10 16 A 1 ATOM 118 C CA . GLY A 1 16 ? 10.799 4.972 1.139 1.00 93.24 16 A 1 ATOM 119 C C . GLY A 1 16 ? 11.430 3.820 0.376 1.00 93.47 16 A 1 ATOM 120 O O . GLY A 1 16 ? 11.760 2.796 0.967 1.00 90.33 16 A 1 ATOM 121 N N . SER A 1 17 ? 11.589 3.982 -0.921 1.00 91.58 17 A 1 ATOM 122 C CA . SER A 1 17 ? 12.176 2.939 -1.763 1.00 90.80 17 A 1 ATOM 123 C C . SER A 1 17 ? 13.089 3.524 -2.837 1.00 89.58 17 A 1 ATOM 124 O O . SER A 1 17 ? 14.019 2.869 -3.306 1.00 82.50 17 A 1 ATOM 125 C CB . SER A 1 17 ? 11.080 2.107 -2.428 1.00 87.09 17 A 1 ATOM 126 O OG . SER A 1 17 ? 11.636 0.970 -3.047 1.00 73.84 17 A 1 ATOM 127 N N . ALA A 1 18 ? 12.844 4.763 -3.242 1.00 87.08 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 13.625 5.419 -4.280 1.00 83.92 18 A 1 ATOM 129 C C . ALA A 1 18 ? 14.720 6.290 -3.677 1.00 81.75 18 A 1 ATOM 130 O O . ALA A 1 18 ? 14.481 6.900 -2.623 1.00 74.65 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 12.718 6.249 -5.174 1.00 76.80 18 A 1 ATOM 132 O OXT . ALA A 1 18 ? 15.810 6.366 -4.272 1.00 69.50 18 A 1 #