# 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_spkb24928 # _entry.id spkb24928 # 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" "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" "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 ARG 2 1 n PHE 3 1 n SER 4 1 n LEU 5 1 n SER 6 1 n LEU 7 1 n ILE 8 1 n GLY 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n SER 13 1 n GLY 14 1 n SER 15 1 n LEU 16 1 n ALA 17 1 n ALA 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 17:13:25)" _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 87.24 _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 82.59 1 1 A ARG 2 2 79.44 1 2 A PHE 3 2 82.74 1 3 A SER 4 2 88.01 1 4 A LEU 5 2 86.06 1 5 A SER 6 2 89.61 1 6 A LEU 7 2 89.51 1 7 A ILE 8 2 88.90 1 8 A GLY 9 2 93.22 1 9 A LEU 10 2 88.82 1 10 A VAL 11 2 92.28 1 11 A ALA 12 2 92.99 1 12 A SER 13 2 90.35 1 13 A GLY 14 2 93.56 1 14 A SER 15 2 90.21 1 15 A LEU 16 2 86.72 1 16 A ALA 17 2 87.75 1 17 A ALA 18 2 88.36 1 18 A ALA 19 2 81.44 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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 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 ? -2.397 13.274 7.674 1.00 87.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.771 12.440 6.633 1.00 88.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.047 10.955 6.882 1.00 90.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.350 10.306 7.652 1.00 87.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.269 12.682 6.607 1.00 83.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.393 12.466 7.958 1.00 80.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.151 12.856 7.935 1.00 76.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.070 14.632 7.901 1.00 65.34 1 A 1 ATOM 9 N N . ARG A 1 2 ? -3.072 10.430 6.239 1.00 86.37 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -3.447 9.027 6.398 1.00 90.29 2 A 1 ATOM 11 C C . ARG A 1 2 ? -3.512 8.309 5.061 1.00 92.33 2 A 1 ATOM 12 O O . ARG A 1 2 ? -3.451 7.083 5.008 1.00 89.50 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -4.801 8.946 7.105 1.00 85.68 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -5.827 9.820 6.428 1.00 79.61 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -7.017 9.001 5.974 1.00 79.28 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -6.649 7.852 5.150 1.00 72.12 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -7.352 7.444 4.099 1.00 70.23 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -8.435 8.099 3.713 1.00 63.99 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -6.967 6.376 3.426 1.00 64.44 2 A 1 ATOM 20 N N . PHE A 1 3 ? -3.642 9.077 3.991 1.00 84.47 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -3.736 8.498 2.648 1.00 86.06 3 A 1 ATOM 22 C C . PHE A 1 3 ? -2.471 7.730 2.291 1.00 90.11 3 A 1 ATOM 23 O O . PHE A 1 3 ? -2.523 6.555 1.938 1.00 87.24 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -3.978 9.600 1.619 1.00 84.20 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -5.211 10.405 1.934 1.00 82.40 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -5.108 11.628 2.570 1.00 79.31 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -6.462 9.925 1.597 1.00 79.35 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -6.243 12.369 2.861 1.00 79.32 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -7.604 10.658 1.886 1.00 78.49 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -7.495 11.885 2.520 1.00 79.16 3 A 1 ATOM 31 N N . SER A 1 4 ? -1.329 8.384 2.387 1.00 89.17 4 A 1 ATOM 32 C CA . SER A 1 4 ? -0.049 7.756 2.062 1.00 90.50 4 A 1 ATOM 33 C C . SER A 1 4 ? 0.239 6.575 2.982 1.00 91.78 4 A 1 ATOM 34 O O . SER A 1 4 ? 0.624 5.497 2.531 1.00 89.42 4 A 1 ATOM 35 C CB . SER A 1 4 ? 1.083 8.776 2.167 1.00 88.62 4 A 1 ATOM 36 O OG . SER A 1 4 ? 0.839 9.875 1.305 1.00 78.54 4 A 1 ATOM 37 N N . LEU A 1 5 ? 0.040 6.777 4.278 1.00 88.11 5 A 1 ATOM 38 C CA . LEU A 1 5 ? 0.283 5.719 5.260 1.00 89.12 5 A 1 ATOM 39 C C . LEU A 1 5 ? -0.614 4.516 4.998 1.00 91.83 5 A 1 ATOM 40 O O . LEU A 1 5 ? -0.168 3.373 5.063 1.00 88.70 5 A 1 ATOM 41 C CB . LEU A 1 5 ? 0.031 6.259 6.667 1.00 86.55 5 A 1 ATOM 42 C CG . LEU A 1 5 ? 1.076 7.284 7.102 1.00 83.12 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? 0.636 7.962 8.391 1.00 81.23 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? 2.423 6.606 7.301 1.00 79.80 5 A 1 ATOM 45 N N . SER A 1 6 ? -1.878 4.769 4.712 1.00 91.28 6 A 1 ATOM 46 C CA . SER A 1 6 ? -2.833 3.697 4.440 1.00 91.60 6 A 1 ATOM 47 C C . SER A 1 6 ? -2.415 2.898 3.213 1.00 93.25 6 A 1 ATOM 48 O O . SER A 1 6 ? -2.459 1.668 3.216 1.00 91.53 6 A 1 ATOM 49 C CB . SER A 1 6 ? -4.229 4.276 4.226 1.00 89.38 6 A 1 ATOM 50 O OG . SER A 1 6 ? -4.676 4.938 5.397 1.00 80.60 6 A 1 ATOM 51 N N . LEU A 1 7 ? -1.997 3.603 2.168 1.00 91.28 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -1.569 2.959 0.928 1.00 92.49 7 A 1 ATOM 53 C C . LEU A 1 7 ? -0.339 2.089 1.162 1.00 94.01 7 A 1 ATOM 54 O O . LEU A 1 7 ? -0.281 0.942 0.722 1.00 93.23 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -1.264 4.020 -0.141 1.00 91.26 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -2.428 4.287 -1.093 1.00 86.52 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -2.692 3.061 -1.953 1.00 84.39 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -3.678 4.651 -0.306 1.00 82.90 7 A 1 ATOM 59 N N . ILE A 1 8 ? 0.645 2.643 1.852 1.00 90.50 8 A 1 ATOM 60 C CA . ILE A 1 8 ? 1.881 1.910 2.127 1.00 90.56 8 A 1 ATOM 61 C C . ILE A 1 8 ? 1.590 0.631 2.903 1.00 92.04 8 A 1 ATOM 62 O O . ILE A 1 8 ? 2.074 -0.448 2.549 1.00 90.75 8 A 1 ATOM 63 C CB . ILE A 1 8 ? 2.859 2.788 2.920 1.00 90.01 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? 3.309 3.975 2.063 1.00 88.21 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? 4.076 1.960 3.349 1.00 87.56 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? 4.029 5.036 2.873 1.00 81.56 8 A 1 ATOM 67 N N . GLY A 1 9 ? 0.813 0.752 3.967 1.00 92.65 9 A 1 ATOM 68 C CA . GLY A 1 9 ? 0.482 -0.414 4.782 1.00 92.71 9 A 1 ATOM 69 C C . GLY A 1 9 ? -0.328 -1.435 4.011 1.00 94.24 9 A 1 ATOM 70 O O . GLY A 1 9 ? -0.049 -2.634 4.056 1.00 93.26 9 A 1 ATOM 71 N N . LEU A 1 10 ? -1.340 -0.969 3.289 1.00 91.49 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -2.201 -1.855 2.508 1.00 91.74 10 A 1 ATOM 73 C C . LEU A 1 10 ? -1.419 -2.535 1.390 1.00 93.77 10 A 1 ATOM 74 O O . LEU A 1 10 ? -1.544 -3.745 1.183 1.00 92.18 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -3.360 -1.059 1.911 1.00 90.52 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -4.349 -1.923 1.137 1.00 85.45 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -5.000 -2.943 2.056 1.00 83.03 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -5.406 -1.047 0.487 1.00 82.40 10 A 1 ATOM 79 N N . VAL A 1 11 ? -0.621 -1.767 0.673 1.00 93.41 11 A 1 ATOM 80 C CA . VAL A 1 11 ? 0.177 -2.307 -0.428 1.00 93.58 11 A 1 ATOM 81 C C . VAL A 1 11 ? 1.165 -3.341 0.083 1.00 94.24 11 A 1 ATOM 82 O O . VAL A 1 11 ? 1.353 -4.394 -0.531 1.00 93.56 11 A 1 ATOM 83 C CB . VAL A 1 11 ? 0.937 -1.187 -1.153 1.00 92.76 11 A 1 ATOM 84 C CG1 . VAL A 1 11 ? 1.896 -1.766 -2.182 1.00 88.56 11 A 1 ATOM 85 C CG2 . VAL A 1 11 ? -0.053 -0.253 -1.828 1.00 89.86 11 A 1 ATOM 86 N N . ALA A 1 12 ? 1.799 -3.050 1.204 1.00 93.83 12 A 1 ATOM 87 C CA . ALA A 1 12 ? 2.777 -3.967 1.786 1.00 93.13 12 A 1 ATOM 88 C C . ALA A 1 12 ? 2.133 -5.315 2.086 1.00 93.89 12 A 1 ATOM 89 O O . ALA A 1 12 ? 2.686 -6.367 1.769 1.00 92.26 12 A 1 ATOM 90 C CB . ALA A 1 12 ? 3.357 -3.368 3.061 1.00 91.84 12 A 1 ATOM 91 N N . SER A 1 13 ? 0.959 -5.292 2.696 1.00 93.54 13 A 1 ATOM 92 C CA . SER A 1 13 ? 0.241 -6.519 3.035 1.00 93.38 13 A 1 ATOM 93 C C . SER A 1 13 ? -0.179 -7.267 1.778 1.00 93.98 13 A 1 ATOM 94 O O . SER A 1 13 ? -0.043 -8.487 1.691 1.00 90.51 13 A 1 ATOM 95 C CB . SER A 1 13 ? -0.989 -6.188 3.877 1.00 90.48 13 A 1 ATOM 96 O OG . SER A 1 13 ? -0.595 -5.562 5.087 1.00 80.21 13 A 1 ATOM 97 N N . GLY A 1 14 ? -0.695 -6.533 0.809 1.00 93.14 14 A 1 ATOM 98 C CA . GLY A 1 14 ? -1.124 -7.138 -0.449 1.00 92.99 14 A 1 ATOM 99 C C . GLY A 1 14 ? 0.037 -7.729 -1.218 1.00 94.69 14 A 1 ATOM 100 O O . GLY A 1 14 ? -0.087 -8.787 -1.838 1.00 93.42 14 A 1 ATOM 101 N N . SER A 1 15 ? 1.180 -7.057 -1.178 1.00 92.59 15 A 1 ATOM 102 C CA . SER A 1 15 ? 2.376 -7.523 -1.879 1.00 92.86 15 A 1 ATOM 103 C C . SER A 1 15 ? 2.811 -8.885 -1.357 1.00 93.64 15 A 1 ATOM 104 O O . SER A 1 15 ? 3.219 -9.754 -2.123 1.00 91.21 15 A 1 ATOM 105 C CB . SER A 1 15 ? 3.518 -6.524 -1.706 1.00 90.74 15 A 1 ATOM 106 O OG . SER A 1 15 ? 3.180 -5.287 -2.310 1.00 80.20 15 A 1 ATOM 107 N N . LEU A 1 16 ? 2.709 -9.080 -0.055 1.00 91.56 16 A 1 ATOM 108 C CA . LEU A 1 16 ? 3.079 -10.355 0.560 1.00 91.12 16 A 1 ATOM 109 C C . LEU A 1 16 ? 2.217 -11.477 0.011 1.00 92.73 16 A 1 ATOM 110 O O . LEU A 1 16 ? 2.703 -12.584 -0.229 1.00 90.74 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 2.913 -10.269 2.074 1.00 88.88 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 4.003 -9.444 2.754 1.00 83.46 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? 3.649 -9.199 4.209 1.00 78.96 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 5.345 -10.155 2.651 1.00 76.30 16 A 1 ATOM 115 N N . ALA A 1 17 ? 0.940 -11.211 -0.178 1.00 88.53 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 0.018 -12.206 -0.720 1.00 87.68 17 A 1 ATOM 117 C C . ALA A 1 17 ? 0.459 -12.639 -2.108 1.00 89.72 17 A 1 ATOM 118 O O . ALA A 1 17 ? 0.383 -13.820 -2.456 1.00 87.79 17 A 1 ATOM 119 C CB . ALA A 1 17 ? -1.392 -11.632 -0.773 1.00 85.01 17 A 1 ATOM 120 N N . ALA A 1 18 ? 0.918 -11.685 -2.910 1.00 89.20 18 A 1 ATOM 121 C CA . ALA A 1 18 ? 1.398 -11.976 -4.258 1.00 88.73 18 A 1 ATOM 122 C C . ALA A 1 18 ? 2.735 -12.696 -4.205 1.00 89.95 18 A 1 ATOM 123 O O . ALA A 1 18 ? 2.987 -13.621 -4.981 1.00 87.87 18 A 1 ATOM 124 C CB . ALA A 1 18 ? 1.532 -10.683 -5.049 1.00 86.07 18 A 1 ATOM 125 N N . ALA A 1 19 ? 3.612 -12.263 -3.273 1.00 88.65 19 A 1 ATOM 126 C CA . ALA A 1 19 ? 4.939 -12.844 -3.089 1.00 85.89 19 A 1 ATOM 127 C C . ALA A 1 19 ? 5.807 -12.675 -4.333 1.00 83.23 19 A 1 ATOM 128 O O . ALA A 1 19 ? 5.329 -12.910 -5.444 1.00 79.30 19 A 1 ATOM 129 C CB . ALA A 1 19 ? 4.828 -14.320 -2.717 1.00 79.75 19 A 1 ATOM 130 O OXT . ALA A 1 19 ? 6.989 -12.304 -4.169 1.00 71.82 19 A 1 #