# 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_spkb44565 # _entry.id spkb44565 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 LYS 2 1 n LYS 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n THR 7 1 n ALA 8 1 n SER 9 1 n ILE 10 1 n ILE 11 1 n CYS 12 1 n LEU 13 1 n ALA 14 1 n SER 15 1 n ALA 16 1 n GLY 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 @ 2025-07-03 02:35:58)" _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 93.11 _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 88.69 1 1 A LYS 2 2 89.68 1 2 A LYS 3 2 90.98 1 3 A LEU 4 2 93.18 1 4 A LEU 5 2 93.09 1 5 A LEU 6 2 93.55 1 6 A THR 7 2 95.87 1 7 A ALA 8 2 97.70 1 8 A SER 9 2 95.69 1 9 A ILE 10 2 95.44 1 10 A ILE 11 2 95.66 1 11 A CYS 12 2 96.05 1 12 A LEU 13 2 94.02 1 13 A ALA 14 2 97.58 1 14 A SER 15 2 95.03 1 15 A ALA 16 2 97.27 1 16 A GLY 17 2 94.61 1 17 A LEU 18 2 87.86 1 18 A ALA 19 2 83.29 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 LYS . 2 A 2 A 3 1 n LYS . 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 THR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 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 ? 2.919 9.085 9.466 1.00 93.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.061 7.895 9.619 1.00 95.16 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.607 6.727 8.798 1.00 95.67 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.458 6.699 7.579 1.00 93.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.636 8.197 9.158 1.00 92.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.032 9.282 9.989 1.00 87.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.691 9.657 9.409 1.00 81.33 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.146 10.941 10.559 1.00 70.77 1 A 1 ATOM 9 N N . LYS A 1 2 ? 3.243 5.766 9.465 1.00 95.55 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 3.811 4.597 8.792 1.00 96.32 2 A 1 ATOM 11 C C . LYS A 1 2 ? 2.721 3.612 8.359 1.00 96.62 2 A 1 ATOM 12 O O . LYS A 1 2 ? 2.895 2.881 7.379 1.00 95.75 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 4.828 3.904 9.706 1.00 95.24 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 4.304 3.579 11.092 1.00 88.92 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 5.346 2.831 11.907 1.00 86.53 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 4.891 2.626 13.344 1.00 79.42 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 4.872 3.903 14.081 1.00 72.73 2 A 1 ATOM 18 N N . LYS A 1 3 ? 1.611 3.603 9.088 1.00 97.05 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 0.487 2.719 8.782 1.00 97.48 3 A 1 ATOM 20 C C . LYS A 1 3 ? -0.103 3.044 7.417 1.00 97.76 3 A 1 ATOM 21 O O . LYS A 1 3 ? -0.456 2.147 6.651 1.00 97.01 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -0.578 2.861 9.868 1.00 96.82 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -1.690 1.828 9.768 1.00 91.78 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -1.191 0.449 10.152 1.00 87.09 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -2.325 -0.562 10.170 1.00 80.73 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -1.869 -1.888 10.657 1.00 73.12 3 A 1 ATOM 27 N N . LEU A 1 4 ? -0.192 4.329 7.107 1.00 96.43 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -0.726 4.790 5.828 1.00 96.59 4 A 1 ATOM 29 C C . LEU A 1 4 ? 0.134 4.301 4.670 1.00 97.55 4 A 1 ATOM 30 O O . LEU A 1 4 ? -0.381 3.843 3.647 1.00 97.25 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -0.801 6.319 5.814 1.00 96.49 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -1.406 6.899 4.540 1.00 88.83 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -2.872 6.518 4.415 1.00 85.66 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -1.255 8.414 4.520 1.00 86.63 4 A 1 ATOM 35 N N . LEU A 1 5 ? 1.449 4.391 4.839 1.00 96.37 5 A 1 ATOM 36 C CA . LEU A 1 5 ? 2.390 3.958 3.809 1.00 96.33 5 A 1 ATOM 37 C C . LEU A 1 5 ? 2.275 2.459 3.556 1.00 97.02 5 A 1 ATOM 38 O O . LEU A 1 5 ? 2.306 2.007 2.408 1.00 96.91 5 A 1 ATOM 39 C CB . LEU A 1 5 ? 3.820 4.310 4.229 1.00 96.34 5 A 1 ATOM 40 C CG . LEU A 1 5 ? 4.885 3.940 3.202 1.00 88.58 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? 4.688 4.722 1.910 1.00 86.28 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? 6.275 4.201 3.764 1.00 86.88 5 A 1 ATOM 43 N N . LEU A 1 6 ? 2.140 1.690 4.627 1.00 97.08 6 A 1 ATOM 44 C CA . LEU A 1 6 ? 2.009 0.240 4.526 1.00 96.95 6 A 1 ATOM 45 C C . LEU A 1 6 ? 0.758 -0.145 3.744 1.00 97.45 6 A 1 ATOM 46 O O . LEU A 1 6 ? 0.806 -0.994 2.852 1.00 97.33 6 A 1 ATOM 47 C CB . LEU A 1 6 ? 1.958 -0.376 5.926 1.00 96.92 6 A 1 ATOM 48 C CG . LEU A 1 6 ? 1.884 -1.901 5.939 1.00 88.91 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? 3.146 -2.511 5.351 1.00 86.53 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? 1.666 -2.409 7.356 1.00 87.25 6 A 1 ATOM 51 N N . THR A 1 7 ? -0.350 0.491 4.074 1.00 97.69 7 A 1 ATOM 52 C CA . THR A 1 7 ? -1.623 0.225 3.407 1.00 97.61 7 A 1 ATOM 53 C C . THR A 1 7 ? -1.533 0.561 1.921 1.00 97.75 7 A 1 ATOM 54 O O . THR A 1 7 ? -1.965 -0.215 1.067 1.00 97.48 7 A 1 ATOM 55 C CB . THR A 1 7 ? -2.753 1.044 4.047 1.00 97.26 7 A 1 ATOM 56 O OG1 . THR A 1 7 ? -2.845 0.742 5.436 1.00 92.19 7 A 1 ATOM 57 C CG2 . THR A 1 7 ? -4.088 0.723 3.388 1.00 91.11 7 A 1 ATOM 58 N N . ALA A 1 8 ? -0.961 1.715 1.614 1.00 97.90 8 A 1 ATOM 59 C CA . ALA A 1 8 ? -0.806 2.157 0.232 1.00 97.82 8 A 1 ATOM 60 C C . ALA A 1 8 ? 0.062 1.185 -0.563 1.00 97.93 8 A 1 ATOM 61 O O . ALA A 1 8 ? -0.241 0.868 -1.713 1.00 97.36 8 A 1 ATOM 62 C CB . ALA A 1 8 ? -0.199 3.557 0.207 1.00 97.50 8 A 1 ATOM 63 N N . SER A 1 9 ? 1.131 0.693 0.059 1.00 97.61 9 A 1 ATOM 64 C CA . SER A 1 9 ? 2.049 -0.243 -0.582 1.00 97.32 9 A 1 ATOM 65 C C . SER A 1 9 ? 1.351 -1.562 -0.915 1.00 97.43 9 A 1 ATOM 66 O O . SER A 1 9 ? 1.515 -2.099 -2.009 1.00 96.91 9 A 1 ATOM 67 C CB . SER A 1 9 ? 3.256 -0.508 0.319 1.00 96.75 9 A 1 ATOM 68 O OG . SER A 1 9 ? 4.179 -1.354 -0.325 1.00 88.14 9 A 1 ATOM 69 N N . ILE A 1 10 ? 0.563 -2.070 0.020 1.00 96.99 10 A 1 ATOM 70 C CA . ILE A 1 10 ? -0.167 -3.322 -0.170 1.00 96.80 10 A 1 ATOM 71 C C . ILE A 1 10 ? -1.142 -3.211 -1.338 1.00 97.11 10 A 1 ATOM 72 O O . ILE A 1 10 ? -1.196 -4.088 -2.203 1.00 96.56 10 A 1 ATOM 73 C CB . ILE A 1 10 ? -0.921 -3.718 1.112 1.00 96.56 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? 0.074 -4.041 2.230 1.00 94.64 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? -1.829 -4.920 0.850 1.00 94.22 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? -0.577 -4.196 3.589 1.00 90.67 10 A 1 ATOM 77 N N . ILE A 1 11 ? -1.909 -2.138 -1.355 1.00 97.23 11 A 1 ATOM 78 C CA . ILE A 1 11 ? -2.886 -1.911 -2.418 1.00 96.93 11 A 1 ATOM 79 C C . ILE A 1 11 ? -2.191 -1.734 -3.764 1.00 97.00 11 A 1 ATOM 80 O O . ILE A 1 11 ? -2.634 -2.269 -4.785 1.00 96.48 11 A 1 ATOM 81 C CB . ILE A 1 11 ? -3.753 -0.682 -2.104 1.00 96.73 11 A 1 ATOM 82 C CG1 . ILE A 1 11 ? -4.528 -0.881 -0.794 1.00 94.93 11 A 1 ATOM 83 C CG2 . ILE A 1 11 ? -4.718 -0.396 -3.259 1.00 94.74 11 A 1 ATOM 84 C CD1 . ILE A 1 11 ? -5.465 -2.075 -0.823 1.00 91.26 11 A 1 ATOM 85 N N . CYS A 1 12 ? -1.105 -0.992 -3.759 1.00 97.48 12 A 1 ATOM 86 C CA . CYS A 1 12 ? -0.363 -0.707 -4.980 1.00 97.43 12 A 1 ATOM 87 C C . CYS A 1 12 ? 0.202 -1.983 -5.608 1.00 97.60 12 A 1 ATOM 88 O O . CYS A 1 12 ? 0.013 -2.237 -6.795 1.00 96.69 12 A 1 ATOM 89 C CB . CYS A 1 12 ? 0.764 0.282 -4.683 1.00 96.66 12 A 1 ATOM 90 S SG . CYS A 1 12 ? 1.515 0.935 -6.176 1.00 90.46 12 A 1 ATOM 91 N N . LEU A 1 13 ? 0.902 -2.787 -4.810 1.00 97.00 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 1.502 -4.014 -5.323 1.00 96.98 13 A 1 ATOM 93 C C . LEU A 1 13 ? 0.442 -5.046 -5.687 1.00 97.45 13 A 1 ATOM 94 O O . LEU A 1 13 ? 0.610 -5.811 -6.642 1.00 96.84 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 2.509 -4.581 -4.312 1.00 96.47 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 1.916 -5.118 -3.005 1.00 91.07 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 1.527 -6.580 -3.149 1.00 87.36 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 2.919 -4.962 -1.875 1.00 88.98 13 A 1 ATOM 99 N N . ALA A 1 14 ? -0.654 -5.077 -4.945 1.00 97.76 14 A 1 ATOM 100 C CA . ALA A 1 14 ? -1.748 -6.003 -5.224 1.00 97.70 14 A 1 ATOM 101 C C . ALA A 1 14 ? -2.390 -5.685 -6.568 1.00 98.05 14 A 1 ATOM 102 O O . ALA A 1 14 ? -2.684 -6.586 -7.353 1.00 97.23 14 A 1 ATOM 103 C CB . ALA A 1 14 ? -2.788 -5.932 -4.110 1.00 97.17 14 A 1 ATOM 104 N N . SER A 1 15 ? -2.595 -4.404 -6.832 1.00 97.59 15 A 1 ATOM 105 C CA . SER A 1 15 ? -3.182 -3.951 -8.088 1.00 97.46 15 A 1 ATOM 106 C C . SER A 1 15 ? -2.269 -4.269 -9.267 1.00 97.59 15 A 1 ATOM 107 O O . SER A 1 15 ? -2.722 -4.751 -10.304 1.00 96.15 15 A 1 ATOM 108 C CB . SER A 1 15 ? -3.456 -2.450 -8.033 1.00 96.34 15 A 1 ATOM 109 O OG . SER A 1 15 ? -4.071 -2.017 -9.221 1.00 85.03 15 A 1 ATOM 110 N N . ALA A 1 16 ? -0.982 -4.016 -9.102 1.00 97.81 16 A 1 ATOM 111 C CA . ALA A 1 16 ? 0.001 -4.270 -10.150 1.00 97.52 16 A 1 ATOM 112 C C . ALA A 1 16 ? 0.116 -5.757 -10.461 1.00 97.86 16 A 1 ATOM 113 O O . ALA A 1 16 ? 0.192 -6.157 -11.624 1.00 96.60 16 A 1 ATOM 114 C CB . ALA A 1 16 ? 1.358 -3.712 -9.728 1.00 96.54 16 A 1 ATOM 115 N N . GLY A 1 17 ? 0.125 -6.579 -9.419 1.00 95.28 17 A 1 ATOM 116 C CA . GLY A 1 17 ? 0.219 -8.022 -9.589 1.00 94.57 17 A 1 ATOM 117 C C . GLY A 1 17 ? -1.031 -8.623 -10.197 1.00 94.95 17 A 1 ATOM 118 O O . GLY A 1 17 ? -0.962 -9.574 -10.977 1.00 93.62 17 A 1 ATOM 119 N N . LEU A 1 18 ? -2.177 -8.064 -9.834 1.00 92.30 18 A 1 ATOM 120 C CA . LEU A 1 18 ? -3.460 -8.522 -10.354 1.00 92.71 18 A 1 ATOM 121 C C . LEU A 1 18 ? -3.596 -8.214 -11.833 1.00 94.01 18 A 1 ATOM 122 O O . LEU A 1 18 ? -4.126 -9.023 -12.602 1.00 91.66 18 A 1 ATOM 123 C CB . LEU A 1 18 ? -4.603 -7.864 -9.581 1.00 91.06 18 A 1 ATOM 124 C CG . LEU A 1 18 ? -5.998 -8.249 -10.056 1.00 84.48 18 A 1 ATOM 125 C CD1 . LEU A 1 18 ? -6.236 -9.733 -9.884 1.00 78.53 18 A 1 ATOM 126 C CD2 . LEU A 1 18 ? -7.046 -7.443 -9.302 1.00 78.13 18 A 1 ATOM 127 N N . ALA A 1 19 ? -3.127 -7.044 -12.238 1.00 89.98 19 A 1 ATOM 128 C CA . ALA A 1 19 ? -3.208 -6.590 -13.622 1.00 87.77 19 A 1 ATOM 129 C C . ALA A 1 19 ? -2.477 -7.559 -14.557 1.00 86.19 19 A 1 ATOM 130 O O . ALA A 1 19 ? -3.081 -8.027 -15.533 1.00 80.11 19 A 1 ATOM 131 C CB . ALA A 1 19 ? -2.645 -5.175 -13.744 1.00 82.30 19 A 1 ATOM 132 O OXT . ALA A 1 19 ? -1.304 -7.852 -14.317 1.00 73.40 19 A 1 #