# 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_spkb17518 # _entry.id spkb17518 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASN 2 1 n GLY 3 1 n GLY 4 1 n LEU 5 1 n CYS 6 1 n LEU 7 1 n CYS 8 1 n VAL 9 1 n LEU 10 1 n MET 11 1 n ALA 12 1 n VAL 13 1 n LEU 14 1 n ALA 15 1 n ALA 16 1 n GLY 17 1 n THR 18 1 n LEU 19 1 n ALA 20 # _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 @ 2025-07-10 02:48:55)" _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 90.70 _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 80.00 1 1 A ASN 2 2 83.62 1 2 A GLY 3 2 91.01 1 3 A GLY 4 2 92.70 1 4 A LEU 5 2 90.92 1 5 A CYS 6 2 92.76 1 6 A LEU 7 2 93.44 1 7 A CYS 8 2 94.44 1 8 A VAL 9 2 94.17 1 9 A LEU 10 2 92.33 1 10 A MET 11 2 90.87 1 11 A ALA 12 2 95.28 1 12 A VAL 13 2 93.75 1 13 A LEU 14 2 91.77 1 14 A ALA 15 2 94.84 1 15 A ALA 16 2 95.44 1 16 A GLY 17 2 95.34 1 17 A THR 18 2 89.65 1 18 A LEU 19 2 87.94 1 19 A ALA 20 2 82.33 1 20 # _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 ASN . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -17.594 2.231 2.032 1.00 85.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.277 2.856 2.226 1.00 86.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.184 1.795 2.290 1.00 88.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.086 1.062 3.270 1.00 84.43 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.259 3.662 3.525 1.00 81.23 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.236 4.816 3.512 1.00 78.16 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.196 5.740 5.049 1.00 71.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.527 6.893 4.755 1.00 64.44 1 A 1 ATOM 9 N N . ASN A 1 2 ? -14.390 1.714 1.244 1.00 84.06 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -13.302 0.746 1.182 1.00 88.78 2 A 1 ATOM 11 C C . ASN A 1 2 ? -11.950 1.421 1.413 1.00 90.72 2 A 1 ATOM 12 O O . ASN A 1 2 ? -10.925 0.964 0.909 1.00 87.60 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -13.309 0.051 -0.179 1.00 84.46 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -14.634 -0.599 -0.488 1.00 81.14 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -15.368 -0.998 0.403 1.00 76.92 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -14.943 -0.717 -1.768 1.00 75.29 2 A 1 ATOM 17 N N . GLY A 1 3 ? -11.970 2.522 2.156 1.00 89.33 3 A 1 ATOM 18 C CA . GLY A 1 3 ? -10.742 3.259 2.428 1.00 90.96 3 A 1 ATOM 19 C C . GLY A 1 3 ? -9.846 2.560 3.428 1.00 93.02 3 A 1 ATOM 20 O O . GLY A 1 3 ? -8.626 2.671 3.364 1.00 90.74 3 A 1 ATOM 21 N N . GLY A 1 4 ? -10.467 1.834 4.352 1.00 90.94 4 A 1 ATOM 22 C CA . GLY A 1 4 ? -9.714 1.099 5.366 1.00 92.47 4 A 1 ATOM 23 C C . GLY A 1 4 ? -8.808 0.046 4.770 1.00 94.34 4 A 1 ATOM 24 O O . GLY A 1 4 ? -7.606 0.022 5.035 1.00 93.04 4 A 1 ATOM 25 N N . LEU A 1 5 ? -9.385 -0.840 3.943 1.00 93.39 5 A 1 ATOM 26 C CA . LEU A 1 5 ? -8.613 -1.902 3.304 1.00 94.20 5 A 1 ATOM 27 C C . LEU A 1 5 ? -7.622 -1.328 2.297 1.00 95.27 5 A 1 ATOM 28 O O . LEU A 1 5 ? -6.517 -1.845 2.138 1.00 94.34 5 A 1 ATOM 29 C CB . LEU A 1 5 ? -9.552 -2.903 2.624 1.00 92.99 5 A 1 ATOM 30 C CG . LEU A 1 5 ? -10.632 -2.277 1.745 1.00 88.24 5 A 1 ATOM 31 C CD1 . LEU A 1 5 ? -10.267 -2.416 0.278 1.00 85.45 5 A 1 ATOM 32 C CD2 . LEU A 1 5 ? -11.968 -2.939 2.029 1.00 83.51 5 A 1 ATOM 33 N N . CYS A 1 6 ? -8.028 -0.256 1.618 1.00 93.10 6 A 1 ATOM 34 C CA . CYS A 1 6 ? -7.159 0.400 0.647 1.00 94.28 6 A 1 ATOM 35 C C . CYS A 1 6 ? -5.895 0.927 1.318 1.00 95.22 6 A 1 ATOM 36 O O . CYS A 1 6 ? -4.788 0.758 0.807 1.00 94.21 6 A 1 ATOM 37 C CB . CYS A 1 6 ? -7.906 1.545 -0.037 1.00 93.09 6 A 1 ATOM 38 S SG . CYS A 1 6 ? -7.146 2.059 -1.589 1.00 86.69 6 A 1 ATOM 39 N N . LEU A 1 7 ? -6.083 1.564 2.471 1.00 95.05 7 A 1 ATOM 40 C CA . LEU A 1 7 ? -4.962 2.105 3.232 1.00 95.65 7 A 1 ATOM 41 C C . LEU A 1 7 ? -4.064 0.983 3.735 1.00 96.46 7 A 1 ATOM 42 O O . LEU A 1 7 ? -2.839 1.100 3.735 1.00 96.21 7 A 1 ATOM 43 C CB . LEU A 1 7 ? -5.481 2.945 4.405 1.00 95.23 7 A 1 ATOM 44 C CG . LEU A 1 7 ? -5.403 4.454 4.187 1.00 91.00 7 A 1 ATOM 45 C CD1 . LEU A 1 7 ? -3.955 4.897 4.085 1.00 89.32 7 A 1 ATOM 46 C CD2 . LEU A 1 7 ? -6.181 4.852 2.951 1.00 88.57 7 A 1 ATOM 47 N N . CYS A 1 8 ? -4.690 -0.106 4.160 1.00 94.92 8 A 1 ATOM 48 C CA . CYS A 1 8 ? -3.953 -1.266 4.653 1.00 95.27 8 A 1 ATOM 49 C C . CYS A 1 8 ? -3.049 -1.830 3.558 1.00 95.94 8 A 1 ATOM 50 O O . CYS A 1 8 ? -1.879 -2.130 3.788 1.00 95.16 8 A 1 ATOM 51 C CB . CYS A 1 8 ? -4.927 -2.342 5.133 1.00 94.54 8 A 1 ATOM 52 S SG . CYS A 1 8 ? -4.661 -2.803 6.855 1.00 90.82 8 A 1 ATOM 53 N N . VAL A 1 9 ? -3.613 -1.965 2.362 1.00 94.58 9 A 1 ATOM 54 C CA . VAL A 1 9 ? -2.861 -2.478 1.216 1.00 95.04 9 A 1 ATOM 55 C C . VAL A 1 9 ? -1.751 -1.512 0.824 1.00 95.57 9 A 1 ATOM 56 O O . VAL A 1 9 ? -0.624 -1.923 0.538 1.00 95.09 9 A 1 ATOM 57 C CB . VAL A 1 9 ? -3.789 -2.710 0.013 1.00 94.67 9 A 1 ATOM 58 C CG1 . VAL A 1 9 ? -2.988 -3.122 -1.215 1.00 92.14 9 A 1 ATOM 59 C CG2 . VAL A 1 9 ? -4.834 -3.765 0.340 1.00 92.11 9 A 1 ATOM 60 N N . LEU A 1 10 ? -2.088 -0.228 0.819 1.00 94.63 10 A 1 ATOM 61 C CA . LEU A 1 10 ? -1.113 0.805 0.480 1.00 94.36 10 A 1 ATOM 62 C C . LEU A 1 10 ? 0.059 0.788 1.452 1.00 95.02 10 A 1 ATOM 63 O O . LEU A 1 10 ? 1.218 0.883 1.048 1.00 95.18 10 A 1 ATOM 64 C CB . LEU A 1 10 ? -1.779 2.183 0.499 1.00 93.99 10 A 1 ATOM 65 C CG . LEU A 1 10 ? -0.968 3.280 -0.184 1.00 89.18 10 A 1 ATOM 66 C CD1 . LEU A 1 10 ? -0.961 3.088 -1.688 1.00 88.31 10 A 1 ATOM 67 C CD2 . LEU A 1 10 ? -1.522 4.646 0.181 1.00 87.95 10 A 1 ATOM 68 N N . MET A 1 11 ? -0.261 0.671 2.736 1.00 94.16 11 A 1 ATOM 69 C CA . MET A 1 11 ? 0.762 0.627 3.779 1.00 93.96 11 A 1 ATOM 70 C C . MET A 1 11 ? 1.624 -0.620 3.633 1.00 94.73 11 A 1 ATOM 71 O O . MET A 1 11 ? 2.839 -0.572 3.820 1.00 94.37 11 A 1 ATOM 72 C CB . MET A 1 11 ? 0.099 0.652 5.156 1.00 93.57 11 A 1 ATOM 73 C CG . MET A 1 11 ? -0.411 2.041 5.500 1.00 91.03 11 A 1 ATOM 74 S SD . MET A 1 11 ? 0.918 3.184 5.866 1.00 86.09 11 A 1 ATOM 75 C CE . MET A 1 11 ? 0.350 4.629 5.002 1.00 79.07 11 A 1 ATOM 76 N N . ALA A 1 12 ? 0.985 -1.731 3.291 1.00 95.40 12 A 1 ATOM 77 C CA . ALA A 1 12 ? 1.696 -2.990 3.102 1.00 95.44 12 A 1 ATOM 78 C C . ALA A 1 12 ? 2.662 -2.894 1.922 1.00 95.92 12 A 1 ATOM 79 O O . ALA A 1 12 ? 3.796 -3.368 1.995 1.00 94.77 12 A 1 ATOM 80 C CB . ALA A 1 12 ? 0.703 -4.122 2.877 1.00 94.85 12 A 1 ATOM 81 N N . VAL A 1 13 ? 2.197 -2.277 0.841 1.00 94.79 13 A 1 ATOM 82 C CA . VAL A 1 13 ? 3.022 -2.096 -0.353 1.00 94.33 13 A 1 ATOM 83 C C . VAL A 1 13 ? 4.208 -1.192 -0.053 1.00 94.82 13 A 1 ATOM 84 O O . VAL A 1 13 ? 5.336 -1.465 -0.477 1.00 94.11 13 A 1 ATOM 85 C CB . VAL A 1 13 ? 2.198 -1.497 -1.506 1.00 93.61 13 A 1 ATOM 86 C CG1 . VAL A 1 13 ? 3.096 -1.164 -2.693 1.00 92.23 13 A 1 ATOM 87 C CG2 . VAL A 1 13 ? 1.105 -2.460 -1.937 1.00 92.34 13 A 1 ATOM 88 N N . LEU A 1 14 ? 3.941 -0.121 0.675 1.00 94.34 14 A 1 ATOM 89 C CA . LEU A 1 14 ? 4.994 0.819 1.046 1.00 93.93 14 A 1 ATOM 90 C C . LEU A 1 14 ? 6.028 0.152 1.940 1.00 94.97 14 A 1 ATOM 91 O O . LEU A 1 14 ? 7.233 0.362 1.772 1.00 94.84 14 A 1 ATOM 92 C CB . LEU A 1 14 ? 4.386 2.024 1.763 1.00 93.02 14 A 1 ATOM 93 C CG . LEU A 1 14 ? 3.838 3.094 0.816 1.00 88.61 14 A 1 ATOM 94 C CD1 . LEU A 1 14 ? 2.805 3.952 1.523 1.00 87.30 14 A 1 ATOM 95 C CD2 . LEU A 1 14 ? 4.971 3.950 0.282 1.00 87.12 14 A 1 ATOM 96 N N . ALA A 1 15 ? 5.545 -0.641 2.880 1.00 94.96 15 A 1 ATOM 97 C CA . ALA A 1 15 ? 6.430 -1.346 3.801 1.00 94.82 15 A 1 ATOM 98 C C . ALA A 1 15 ? 7.266 -2.389 3.066 1.00 95.77 15 A 1 ATOM 99 O O . ALA A 1 15 ? 8.437 -2.595 3.385 1.00 94.98 15 A 1 ATOM 100 C CB . ALA A 1 15 ? 5.613 -2.004 4.905 1.00 93.65 15 A 1 ATOM 101 N N . ALA A 1 16 ? 6.659 -3.046 2.084 1.00 95.68 16 A 1 ATOM 102 C CA . ALA A 1 16 ? 7.350 -4.071 1.304 1.00 95.56 16 A 1 ATOM 103 C C . ALA A 1 16 ? 8.231 -3.455 0.223 1.00 96.41 16 A 1 ATOM 104 O O . ALA A 1 16 ? 9.225 -4.049 -0.193 1.00 95.33 16 A 1 ATOM 105 C CB . ALA A 1 16 ? 6.336 -5.016 0.675 1.00 94.24 16 A 1 ATOM 106 N N . GLY A 1 17 ? 7.849 -2.268 -0.230 1.00 95.14 17 A 1 ATOM 107 C CA . GLY A 1 17 ? 8.595 -1.578 -1.276 1.00 95.07 17 A 1 ATOM 108 C C . GLY A 1 17 ? 9.589 -0.571 -0.741 1.00 95.99 17 A 1 ATOM 109 O O . GLY A 1 17 ? 10.209 0.160 -1.507 1.00 95.16 17 A 1 ATOM 110 N N . THR A 1 18 ? 9.738 -0.527 0.563 1.00 93.15 18 A 1 ATOM 111 C CA . THR A 1 18 ? 10.669 0.409 1.185 1.00 92.65 18 A 1 ATOM 112 C C . THR A 1 18 ? 12.014 -0.264 1.427 1.00 93.07 18 A 1 ATOM 113 O O . THR A 1 18 ? 12.155 -1.134 2.284 1.00 90.49 18 A 1 ATOM 114 C CB . THR A 1 18 ? 10.106 0.965 2.500 1.00 90.52 18 A 1 ATOM 115 O OG1 . THR A 1 18 ? 10.984 1.980 2.982 1.00 84.57 18 A 1 ATOM 116 C CG2 . THR A 1 18 ? 9.944 -0.102 3.562 1.00 83.13 18 A 1 ATOM 117 N N . LEU A 1 19 ? 13.006 0.134 0.642 1.00 93.30 19 A 1 ATOM 118 C CA . LEU A 1 19 ? 14.350 -0.412 0.778 1.00 92.12 19 A 1 ATOM 119 C C . LEU A 1 19 ? 15.205 0.503 1.646 1.00 92.71 19 A 1 ATOM 120 O O . LEU A 1 19 ? 15.931 1.364 1.149 1.00 90.28 19 A 1 ATOM 121 C CB . LEU A 1 19 ? 14.987 -0.581 -0.600 1.00 90.17 19 A 1 ATOM 122 C CG . LEU A 1 19 ? 15.421 -1.995 -0.936 1.00 85.68 19 A 1 ATOM 123 C CD1 . LEU A 1 19 ? 14.219 -2.909 -1.087 1.00 80.55 19 A 1 ATOM 124 C CD2 . LEU A 1 19 ? 16.253 -2.011 -2.211 1.00 78.71 19 A 1 ATOM 125 N N . ALA A 1 20 ? 15.085 0.297 2.959 1.00 87.91 20 A 1 ATOM 126 C CA . ALA A 1 20 ? 15.838 1.108 3.905 1.00 86.43 20 A 1 ATOM 127 C C . ALA A 1 20 ? 17.101 0.374 4.376 1.00 85.05 20 A 1 ATOM 128 O O . ALA A 1 20 ? 17.553 -0.565 3.705 1.00 80.68 20 A 1 ATOM 129 C CB . ALA A 1 20 ? 14.950 1.471 5.090 1.00 80.68 20 A 1 ATOM 130 O OXT . ALA A 1 20 ? 17.640 0.718 5.425 1.00 73.24 20 A 1 #