# 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_spkb24934 # _entry.id spkb24934 # 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" "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" "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" "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 HIS 2 1 n GLY 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n ALA 7 1 n ALA 8 1 n GLY 9 1 n LEU 10 1 n LEU 11 1 n SER 12 1 n LEU 13 1 n PRO 14 1 n LEU 15 1 n HIS 16 1 n VAL 17 1 n LEU 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 @ 2025-07-04 22:18:42)" _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 87.45 _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 77.70 1 1 A HIS 2 2 78.92 1 2 A GLY 3 2 88.76 1 3 A LEU 4 2 85.00 1 4 A LEU 5 2 86.24 1 5 A LEU 6 2 86.81 1 6 A ALA 7 2 90.06 1 7 A ALA 8 2 90.49 1 8 A GLY 9 2 92.50 1 9 A LEU 10 2 89.52 1 10 A LEU 11 2 89.56 1 11 A SER 12 2 90.21 1 12 A LEU 13 2 88.62 1 13 A PRO 14 2 93.24 1 14 A LEU 15 2 90.32 1 15 A HIS 16 2 88.57 1 16 A VAL 17 2 92.44 1 17 A LEU 18 2 88.22 1 18 A ALA 19 2 82.28 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 HIS . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n HIS . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 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 ? -15.099 -3.843 8.035 1.00 82.78 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.211 -2.768 7.564 1.00 84.53 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.190 -3.327 6.573 1.00 85.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.057 -3.636 6.936 1.00 82.77 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.474 -2.126 8.741 1.00 78.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.420 -1.480 9.738 1.00 74.71 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.554 -0.786 11.158 1.00 71.25 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.938 -0.118 12.061 1.00 61.40 1 A 1 ATOM 9 N N . HIS A 1 2 ? -13.596 -3.460 5.308 1.00 84.25 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -12.729 -4.009 4.267 1.00 85.54 2 A 1 ATOM 11 C C . HIS A 1 2 ? -11.692 -2.987 3.802 1.00 87.68 2 A 1 ATOM 12 O O . HIS A 1 2 ? -10.617 -3.346 3.324 1.00 83.89 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -13.585 -4.460 3.083 1.00 82.89 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -12.791 -5.161 2.033 1.00 79.40 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -12.327 -6.450 2.162 1.00 71.50 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -12.375 -4.730 0.821 1.00 70.32 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -11.657 -6.772 1.063 1.00 71.96 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -11.673 -5.751 0.233 1.00 71.79 2 A 1 ATOM 19 N N . GLY A 1 3 ? -12.016 -1.702 3.964 1.00 86.06 3 A 1 ATOM 20 C CA . GLY A 1 3 ? -11.112 -0.628 3.545 1.00 88.75 3 A 1 ATOM 21 C C . GLY A 1 3 ? -9.796 -0.635 4.301 1.00 90.97 3 A 1 ATOM 22 O O . GLY A 1 3 ? -8.793 -0.117 3.814 1.00 89.26 3 A 1 ATOM 23 N N . LEU A 1 4 ? -9.781 -1.229 5.489 1.00 85.08 4 A 1 ATOM 24 C CA . LEU A 1 4 ? -8.571 -1.308 6.304 1.00 87.82 4 A 1 ATOM 25 C C . LEU A 1 4 ? -7.478 -2.098 5.593 1.00 89.98 4 A 1 ATOM 26 O O . LEU A 1 4 ? -6.304 -1.730 5.629 1.00 88.37 4 A 1 ATOM 27 C CB . LEU A 1 4 ? -8.886 -1.952 7.655 1.00 86.06 4 A 1 ATOM 28 C CG . LEU A 1 4 ? -7.696 -2.009 8.609 1.00 83.54 4 A 1 ATOM 29 C CD1 . LEU A 1 4 ? -7.240 -0.608 8.983 1.00 80.90 4 A 1 ATOM 30 C CD2 . LEU A 1 4 ? -8.066 -2.795 9.858 1.00 78.27 4 A 1 ATOM 31 N N . LEU A 1 5 ? -7.861 -3.188 4.926 1.00 86.68 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -6.911 -4.029 4.203 1.00 88.38 5 A 1 ATOM 33 C C . LEU A 1 5 ? -6.324 -3.280 3.014 1.00 89.76 5 A 1 ATOM 34 O O . LEU A 1 5 ? -5.126 -3.365 2.738 1.00 88.50 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -7.602 -5.307 3.723 1.00 87.33 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -8.138 -6.193 4.846 1.00 85.36 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -8.892 -7.375 4.260 1.00 82.77 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -7.004 -6.677 5.735 1.00 81.12 5 A 1 ATOM 39 N N . LEU A 1 6 ? -7.170 -2.533 2.317 1.00 89.76 6 A 1 ATOM 40 C CA . LEU A 1 6 ? -6.733 -1.751 1.166 1.00 89.64 6 A 1 ATOM 41 C C . LEU A 1 6 ? -5.776 -0.647 1.598 1.00 91.12 6 A 1 ATOM 42 O O . LEU A 1 6 ? -4.780 -0.378 0.925 1.00 90.81 6 A 1 ATOM 43 C CB . LEU A 1 6 ? -7.943 -1.145 0.460 1.00 88.36 6 A 1 ATOM 44 C CG . LEU A 1 6 ? -8.904 -2.179 -0.129 1.00 83.64 6 A 1 ATOM 45 C CD1 . LEU A 1 6 ? -10.116 -1.478 -0.725 1.00 80.82 6 A 1 ATOM 46 C CD2 . LEU A 1 6 ? -8.206 -3.028 -1.177 1.00 80.30 6 A 1 ATOM 47 N N . ALA A 1 7 ? -6.073 -0.017 2.732 1.00 89.85 7 A 1 ATOM 48 C CA . ALA A 1 7 ? -5.230 1.048 3.264 1.00 90.15 7 A 1 ATOM 49 C C . ALA A 1 7 ? -3.852 0.514 3.645 1.00 91.22 7 A 1 ATOM 50 O O . ALA A 1 7 ? -2.834 1.159 3.387 1.00 90.12 7 A 1 ATOM 51 C CB . ALA A 1 7 ? -5.904 1.686 4.475 1.00 88.95 7 A 1 ATOM 52 N N . ALA A 1 8 ? -3.812 -0.669 4.244 1.00 91.09 8 A 1 ATOM 53 C CA . ALA A 1 8 ? -2.556 -1.289 4.652 1.00 90.72 8 A 1 ATOM 54 C C . ALA A 1 8 ? -1.671 -1.584 3.445 1.00 91.75 8 A 1 ATOM 55 O O . ALA A 1 8 ? -0.470 -1.306 3.458 1.00 89.58 8 A 1 ATOM 56 C CB . ALA A 1 8 ? -2.839 -2.573 5.425 1.00 89.30 8 A 1 ATOM 57 N N . GLY A 1 9 ? -2.268 -2.145 2.395 1.00 92.10 9 A 1 ATOM 58 C CA . GLY A 1 9 ? -1.518 -2.454 1.180 1.00 91.72 9 A 1 ATOM 59 C C . GLY A 1 9 ? -1.073 -1.205 0.448 1.00 93.46 9 A 1 ATOM 60 O O . GLY A 1 9 ? 0.038 -1.142 -0.082 1.00 92.73 9 A 1 ATOM 61 N N . LEU A 1 10 ? -1.933 -0.197 0.429 1.00 91.37 10 A 1 ATOM 62 C CA . LEU A 1 10 ? -1.639 1.064 -0.237 1.00 91.76 10 A 1 ATOM 63 C C . LEU A 1 10 ? -0.457 1.769 0.419 1.00 93.03 10 A 1 ATOM 64 O O . LEU A 1 10 ? 0.358 2.397 -0.258 1.00 91.53 10 A 1 ATOM 65 C CB . LEU A 1 10 ? -2.870 1.970 -0.208 1.00 90.64 10 A 1 ATOM 66 C CG . LEU A 1 10 ? -2.703 3.281 -0.959 1.00 87.99 10 A 1 ATOM 67 C CD1 . LEU A 1 10 ? -2.467 3.031 -2.438 1.00 85.45 10 A 1 ATOM 68 C CD2 . LEU A 1 10 ? -3.927 4.160 -0.758 1.00 84.37 10 A 1 ATOM 69 N N . LEU A 1 11 ? -0.365 1.676 1.736 1.00 92.33 11 A 1 ATOM 70 C CA . LEU A 1 11 ? 0.734 2.289 2.475 1.00 91.63 11 A 1 ATOM 71 C C . LEU A 1 11 ? 2.020 1.492 2.308 1.00 92.77 11 A 1 ATOM 72 O O . LEU A 1 11 ? 3.108 2.063 2.220 1.00 91.81 11 A 1 ATOM 73 C CB . LEU A 1 11 ? 0.368 2.384 3.956 1.00 90.70 11 A 1 ATOM 74 C CG . LEU A 1 11 ? -0.725 3.402 4.265 1.00 87.88 11 A 1 ATOM 75 C CD1 . LEU A 1 11 ? -1.177 3.264 5.710 1.00 85.01 11 A 1 ATOM 76 C CD2 . LEU A 1 11 ? -0.227 4.812 4.003 1.00 84.32 11 A 1 ATOM 77 N N . SER A 1 12 ? 1.904 0.175 2.247 1.00 92.24 12 A 1 ATOM 78 C CA . SER A 1 12 ? 3.062 -0.706 2.126 1.00 92.24 12 A 1 ATOM 79 C C . SER A 1 12 ? 3.828 -0.464 0.829 1.00 93.15 12 A 1 ATOM 80 O O . SER A 1 12 ? 5.059 -0.452 0.822 1.00 91.33 12 A 1 ATOM 81 C CB . SER A 1 12 ? 2.622 -2.164 2.194 1.00 90.48 12 A 1 ATOM 82 O OG . SER A 1 12 ? 3.740 -3.015 2.132 1.00 81.81 12 A 1 ATOM 83 N N . LEU A 1 13 ? 3.101 -0.258 -0.288 1.00 91.20 13 A 1 ATOM 84 C CA . LEU A 1 13 ? 3.727 -0.061 -1.595 1.00 91.19 13 A 1 ATOM 85 C C . LEU A 1 13 ? 4.598 1.203 -1.647 1.00 92.79 13 A 1 ATOM 86 O O . LEU A 1 13 ? 5.803 1.113 -1.898 1.00 91.78 13 A 1 ATOM 87 C CB . LEU A 1 13 ? 2.647 -0.036 -2.692 1.00 89.98 13 A 1 ATOM 88 C CG . LEU A 1 13 ? 2.996 -0.869 -3.922 1.00 86.14 13 A 1 ATOM 89 C CD1 . LEU A 1 13 ? 4.253 -0.377 -4.597 1.00 83.76 13 A 1 ATOM 90 C CD2 . LEU A 1 13 ? 3.110 -2.337 -3.537 1.00 82.13 13 A 1 ATOM 91 N N . PRO A 1 14 ? 4.011 2.389 -1.411 1.00 94.29 14 A 1 ATOM 92 C CA . PRO A 1 14 ? 4.790 3.637 -1.459 1.00 93.80 14 A 1 ATOM 93 C C . PRO A 1 14 ? 5.887 3.692 -0.405 1.00 94.57 14 A 1 ATOM 94 O O . PRO A 1 14 ? 6.969 4.222 -0.666 1.00 93.15 14 A 1 ATOM 95 C CB . PRO A 1 14 ? 3.744 4.739 -1.231 1.00 91.96 14 A 1 ATOM 96 C CG . PRO A 1 14 ? 2.508 4.059 -0.778 1.00 91.27 14 A 1 ATOM 97 C CD . PRO A 1 14 ? 2.592 2.621 -1.202 1.00 93.64 14 A 1 ATOM 98 N N . LEU A 1 15 ? 5.632 3.145 0.777 1.00 93.25 15 A 1 ATOM 99 C CA . LEU A 1 15 ? 6.628 3.141 1.845 1.00 93.38 15 A 1 ATOM 100 C C . LEU A 1 15 ? 7.825 2.279 1.466 1.00 93.68 15 A 1 ATOM 101 O O . LEU A 1 15 ? 8.967 2.617 1.771 1.00 91.97 15 A 1 ATOM 102 C CB . LEU A 1 15 ? 6.006 2.631 3.147 1.00 92.63 15 A 1 ATOM 103 C CG . LEU A 1 15 ? 5.030 3.607 3.793 1.00 89.19 15 A 1 ATOM 104 C CD1 . LEU A 1 15 ? 4.346 2.954 4.985 1.00 85.11 15 A 1 ATOM 105 C CD2 . LEU A 1 15 ? 5.762 4.867 4.239 1.00 83.32 15 A 1 ATOM 106 N N . HIS A 1 16 ? 7.574 1.166 0.777 1.00 93.35 16 A 1 ATOM 107 C CA . HIS A 1 16 ? 8.640 0.268 0.339 1.00 92.74 16 A 1 ATOM 108 C C . HIS A 1 16 ? 9.536 0.955 -0.685 1.00 94.19 16 A 1 ATOM 109 O O . HIS A 1 16 ? 10.754 0.778 -0.673 1.00 93.45 16 A 1 ATOM 110 C CB . HIS A 1 16 ? 8.049 -1.004 -0.269 1.00 91.79 16 A 1 ATOM 111 C CG . HIS A 1 16 ? 9.095 -2.015 -0.616 1.00 89.38 16 A 1 ATOM 112 N ND1 . HIS A 1 16 ? 9.736 -2.794 0.311 1.00 81.02 16 A 1 ATOM 113 C CD2 . HIS A 1 16 ? 9.616 -2.360 -1.816 1.00 82.50 16 A 1 ATOM 114 C CE1 . HIS A 1 16 ? 10.603 -3.583 -0.303 1.00 82.93 16 A 1 ATOM 115 N NE2 . HIS A 1 16 ? 10.559 -3.345 -1.602 1.00 84.35 16 A 1 ATOM 116 N N . VAL A 1 17 ? 8.932 1.743 -1.572 1.00 94.12 17 A 1 ATOM 117 C CA . VAL A 1 17 ? 9.686 2.473 -2.591 1.00 94.43 17 A 1 ATOM 118 C C . VAL A 1 17 ? 10.554 3.551 -1.950 1.00 94.85 17 A 1 ATOM 119 O O . VAL A 1 17 ? 11.694 3.775 -2.365 1.00 93.47 17 A 1 ATOM 120 C CB . VAL A 1 17 ? 8.740 3.110 -3.624 1.00 93.27 17 A 1 ATOM 121 C CG1 . VAL A 1 17 ? 9.526 3.942 -4.631 1.00 88.90 17 A 1 ATOM 122 C CG2 . VAL A 1 17 ? 7.943 2.034 -4.340 1.00 88.07 17 A 1 ATOM 123 N N . LEU A 1 18 ? 10.012 4.224 -0.945 1.00 91.94 18 A 1 ATOM 124 C CA . LEU A 1 18 ? 10.734 5.277 -0.241 1.00 91.31 18 A 1 ATOM 125 C C . LEU A 1 18 ? 11.876 4.708 0.593 1.00 91.66 18 A 1 ATOM 126 O O . LEU A 1 18 ? 12.920 5.348 0.757 1.00 90.24 18 A 1 ATOM 127 C CB . LEU A 1 18 ? 9.770 6.053 0.658 1.00 89.83 18 A 1 ATOM 128 C CG . LEU A 1 18 ? 10.397 7.225 1.393 1.00 86.99 18 A 1 ATOM 129 C CD1 . LEU A 1 18 ? 10.922 8.269 0.420 1.00 83.12 18 A 1 ATOM 130 C CD2 . LEU A 1 18 ? 9.386 7.851 2.341 1.00 80.69 18 A 1 ATOM 131 N N . ALA A 1 19 ? 11.679 3.508 1.119 1.00 88.20 19 A 1 ATOM 132 C CA . ALA A 1 19 ? 12.679 2.854 1.954 1.00 86.06 19 A 1 ATOM 133 C C . ALA A 1 19 ? 13.862 2.338 1.131 1.00 83.62 19 A 1 ATOM 134 O O . ALA A 1 19 ? 13.712 2.127 -0.084 1.00 81.10 19 A 1 ATOM 135 C CB . ALA A 1 19 ? 12.039 1.718 2.750 1.00 80.59 19 A 1 ATOM 136 O OXT . ALA A 1 19 ? 14.940 2.130 1.701 1.00 74.11 19 A 1 #