# 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_404 # _entry.id 404 # 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" "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 SER 3 1 n LEU 4 1 n GLY 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n SER 12 1 n ALA 13 1 n CYS 14 1 n LEU 15 1 n ALA 16 1 n VAL 17 1 n SER 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 @ 2025-05-30 16:29:59)" _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 91.86 _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 81.07 1 1 A ARG 2 2 77.82 1 2 A SER 3 2 88.94 1 3 A LEU 4 2 91.33 1 4 A GLY 5 2 96.04 1 5 A ALA 6 2 96.43 1 6 A LEU 7 2 94.15 1 7 A LEU 8 2 94.91 1 8 A LEU 9 2 94.76 1 9 A LEU 10 2 94.06 1 10 A LEU 11 2 93.95 1 11 A SER 12 2 95.37 1 12 A ALA 13 2 97.03 1 13 A CYS 14 2 96.62 1 14 A LEU 15 2 95.30 1 15 A ALA 16 2 97.47 1 16 A VAL 17 2 94.44 1 17 A SER 18 2 92.71 1 18 A ALA 19 2 86.70 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 SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 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 LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 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 ? -15.579 -0.163 -4.057 1.00 86.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.322 -0.370 -3.317 1.00 86.85 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.274 -1.772 -2.718 1.00 88.73 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.207 -2.196 -2.046 1.00 85.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.185 0.660 -2.203 1.00 83.16 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.397 0.705 -1.282 1.00 80.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.615 2.342 -0.600 1.00 74.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.146 2.122 0.295 1.00 63.34 1 A 1 ATOM 9 N N . ARG A 1 2 ? -13.198 -2.473 -2.965 1.00 86.60 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -13.029 -3.831 -2.449 1.00 88.16 2 A 1 ATOM 11 C C . ARG A 1 2 ? -12.345 -3.822 -1.085 1.00 89.35 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.962 -4.117 -0.074 1.00 85.86 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -12.218 -4.658 -3.441 1.00 84.40 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.064 -5.225 -4.548 1.00 78.42 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.305 -6.342 -5.264 1.00 77.33 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -11.080 -5.816 -5.879 1.00 70.99 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -10.116 -6.591 -6.347 1.00 68.57 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -10.207 -7.907 -6.287 1.00 63.13 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -9.041 -6.041 -6.871 1.00 63.19 2 A 1 ATOM 20 N N . SER A 1 3 ? -11.072 -3.489 -1.089 1.00 89.42 3 A 1 ATOM 21 C CA . SER A 1 3 ? -10.304 -3.464 0.153 1.00 93.08 3 A 1 ATOM 22 C C . SER A 1 3 ? -9.427 -2.216 0.213 1.00 94.65 3 A 1 ATOM 23 O O . SER A 1 3 ? -8.391 -2.144 -0.445 1.00 92.47 3 A 1 ATOM 24 C CB . SER A 1 3 ? -9.442 -4.717 0.249 1.00 88.99 3 A 1 ATOM 25 O OG . SER A 1 3 ? -9.627 -5.358 1.493 1.00 75.02 3 A 1 ATOM 26 N N . LEU A 1 4 ? -9.860 -1.239 1.001 1.00 94.09 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -9.106 0.004 1.152 1.00 94.82 4 A 1 ATOM 28 C C . LEU A 1 4 ? -7.746 -0.271 1.790 1.00 95.96 4 A 1 ATOM 29 O O . LEU A 1 4 ? -6.754 0.390 1.488 1.00 95.08 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -9.913 0.995 2.004 1.00 94.02 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -9.798 2.444 1.546 1.00 89.89 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -8.394 2.977 1.731 1.00 83.84 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -10.254 2.577 0.107 1.00 82.96 4 A 1 ATOM 34 N N . GLY A 1 5 ? -7.725 -1.255 2.674 1.00 95.40 5 A 1 ATOM 35 C CA . GLY A 1 5 ? -6.481 -1.632 3.353 1.00 95.71 5 A 1 ATOM 36 C C . GLY A 1 5 ? -5.419 -2.102 2.377 1.00 96.62 5 A 1 ATOM 37 O O . GLY A 1 5 ? -4.235 -1.814 2.541 1.00 96.42 5 A 1 ATOM 38 N N . ALA A 1 6 ? -5.843 -2.830 1.353 1.00 96.01 6 A 1 ATOM 39 C CA . ALA A 1 6 ? -4.915 -3.335 0.338 1.00 96.52 6 A 1 ATOM 40 C C . ALA A 1 6 ? -4.283 -2.187 -0.443 1.00 97.25 6 A 1 ATOM 41 O O . ALA A 1 6 ? -3.084 -2.204 -0.724 1.00 96.53 6 A 1 ATOM 42 C CB . ALA A 1 6 ? -5.661 -4.267 -0.610 1.00 95.82 6 A 1 ATOM 43 N N . LEU A 1 7 ? -5.100 -1.200 -0.786 1.00 96.55 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -4.613 -0.035 -1.525 1.00 96.79 7 A 1 ATOM 45 C C . LEU A 1 7 ? -3.622 0.765 -0.683 1.00 97.32 7 A 1 ATOM 46 O O . LEU A 1 7 ? -2.604 1.239 -1.189 1.00 97.24 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -5.798 0.848 -1.924 1.00 96.75 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -6.557 0.340 -3.144 1.00 91.87 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -7.948 0.942 -3.198 1.00 88.04 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? -5.784 0.710 -4.414 1.00 88.67 7 A 1 ATOM 51 N N . LEU A 1 8 ? -3.941 0.903 0.587 1.00 96.95 8 A 1 ATOM 52 C CA . LEU A 1 8 ? -3.071 1.629 1.513 1.00 97.17 8 A 1 ATOM 53 C C . LEU A 1 8 ? -1.730 0.923 1.661 1.00 97.59 8 A 1 ATOM 54 O O . LEU A 1 8 ? -0.678 1.564 1.720 1.00 97.65 8 A 1 ATOM 55 C CB . LEU A 1 8 ? -3.764 1.738 2.874 1.00 97.01 8 A 1 ATOM 56 C CG . LEU A 1 8 ? -4.284 3.138 3.179 1.00 92.88 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? -5.396 3.085 4.215 1.00 89.86 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? -3.148 4.018 3.678 1.00 90.20 8 A 1 ATOM 59 N N . LEU A 1 9 ? -1.778 -0.399 1.723 1.00 96.75 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -0.562 -1.203 1.856 1.00 96.83 9 A 1 ATOM 61 C C . LEU A 1 9 ? 0.332 -1.028 0.635 1.00 97.33 9 A 1 ATOM 62 O O . LEU A 1 9 ? 1.555 -0.940 0.755 1.00 97.23 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -0.939 -2.675 2.024 1.00 96.68 9 A 1 ATOM 64 C CG . LEU A 1 9 ? 0.064 -3.463 2.855 1.00 92.56 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -0.618 -4.065 4.084 1.00 90.48 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? 0.700 -4.562 2.032 1.00 90.21 9 A 1 ATOM 67 N N . LEU A 1 10 ? -0.292 -0.980 -0.536 1.00 96.71 10 A 1 ATOM 68 C CA . LEU A 1 10 ? 0.441 -0.806 -1.788 1.00 96.80 10 A 1 ATOM 69 C C . LEU A 1 10 ? 1.172 0.530 -1.804 1.00 97.33 10 A 1 ATOM 70 O O . LEU A 1 10 ? 2.344 0.608 -2.188 1.00 97.19 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -0.542 -0.885 -2.961 1.00 96.65 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -0.353 -2.118 -3.835 1.00 90.65 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -1.654 -2.479 -4.547 1.00 88.21 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? 0.742 -1.865 -4.862 1.00 88.93 10 A 1 ATOM 75 N N . LEU A 1 11 ? 0.474 1.569 -1.385 1.00 96.80 11 A 1 ATOM 76 C CA . LEU A 1 11 ? 1.059 2.908 -1.343 1.00 96.78 11 A 1 ATOM 77 C C . LEU A 1 11 ? 2.200 2.968 -0.335 1.00 97.31 11 A 1 ATOM 78 O O . LEU A 1 11 ? 3.238 3.583 -0.591 1.00 97.29 11 A 1 ATOM 79 C CB . LEU A 1 11 ? -0.029 3.922 -0.978 1.00 96.56 11 A 1 ATOM 80 C CG . LEU A 1 11 ? 0.041 5.194 -1.807 1.00 91.32 11 A 1 ATOM 81 C CD1 . LEU A 1 11 ? -1.329 5.549 -2.365 1.00 87.50 11 A 1 ATOM 82 C CD2 . LEU A 1 11 ? 0.577 6.340 -0.972 1.00 88.08 11 A 1 ATOM 83 N N . SER A 1 12 ? 2.003 2.324 0.803 1.00 97.51 12 A 1 ATOM 84 C CA . SER A 1 12 ? 3.018 2.294 1.855 1.00 97.46 12 A 1 ATOM 85 C C . SER A 1 12 ? 4.277 1.586 1.364 1.00 97.78 12 A 1 ATOM 86 O O . SER A 1 12 ? 5.397 2.031 1.619 1.00 97.29 12 A 1 ATOM 87 C CB . SER A 1 12 ? 2.458 1.581 3.082 1.00 96.62 12 A 1 ATOM 88 O OG . SER A 1 12 ? 3.096 2.031 4.248 1.00 85.53 12 A 1 ATOM 89 N N . ALA A 1 13 ? 4.087 0.483 0.654 1.00 97.48 13 A 1 ATOM 90 C CA . ALA A 1 13 ? 5.209 -0.284 0.113 1.00 97.31 13 A 1 ATOM 91 C C . ALA A 1 13 ? 5.997 0.555 -0.891 1.00 97.57 13 A 1 ATOM 92 O O . ALA A 1 13 ? 7.229 0.512 -0.918 1.00 96.23 13 A 1 ATOM 93 C CB . ALA A 1 13 ? 4.685 -1.552 -0.554 1.00 96.56 13 A 1 ATOM 94 N N . CYS A 1 14 ? 5.284 1.313 -1.707 1.00 97.87 14 A 1 ATOM 95 C CA . CYS A 1 14 ? 5.913 2.175 -2.706 1.00 97.77 14 A 1 ATOM 96 C C . CYS A 1 14 ? 6.791 3.230 -2.034 1.00 97.79 14 A 1 ATOM 97 O O . CYS A 1 14 ? 7.885 3.535 -2.505 1.00 96.50 14 A 1 ATOM 98 C CB . CYS A 1 14 ? 4.827 2.845 -3.549 1.00 97.25 14 A 1 ATOM 99 S SG . CYS A 1 14 ? 5.386 3.204 -5.223 1.00 92.56 14 A 1 ATOM 100 N N . LEU A 1 15 ? 6.300 3.773 -0.932 1.00 97.79 15 A 1 ATOM 101 C CA . LEU A 1 15 ? 7.042 4.789 -0.188 1.00 97.64 15 A 1 ATOM 102 C C . LEU A 1 15 ? 8.331 4.215 0.387 1.00 97.91 15 A 1 ATOM 103 O O . LEU A 1 15 ? 9.384 4.859 0.341 1.00 97.37 15 A 1 ATOM 104 C CB . LEU A 1 15 ? 6.160 5.330 0.938 1.00 97.23 15 A 1 ATOM 105 C CG . LEU A 1 15 ? 5.268 6.490 0.503 1.00 94.13 15 A 1 ATOM 106 C CD1 . LEU A 1 15 ? 4.095 6.646 1.446 1.00 90.28 15 A 1 ATOM 107 C CD2 . LEU A 1 15 ? 6.088 7.775 0.458 1.00 90.07 15 A 1 ATOM 108 N N . ALA A 1 16 ? 8.239 3.010 0.926 1.00 97.88 16 A 1 ATOM 109 C CA . ALA A 1 16 ? 9.405 2.344 1.510 1.00 97.68 16 A 1 ATOM 110 C C . ALA A 1 16 ? 10.458 2.049 0.443 1.00 97.86 16 A 1 ATOM 111 O O . ALA A 1 16 ? 11.656 2.202 0.682 1.00 96.94 16 A 1 ATOM 112 C CB . ALA A 1 16 ? 8.966 1.054 2.194 1.00 96.99 16 A 1 ATOM 113 N N . VAL A 1 17 ? 10.010 1.618 -0.719 1.00 97.12 17 A 1 ATOM 114 C CA . VAL A 1 17 ? 10.914 1.304 -1.828 1.00 96.48 17 A 1 ATOM 115 C C . VAL A 1 17 ? 11.548 2.574 -2.387 1.00 96.89 17 A 1 ATOM 116 O O . VAL A 1 17 ? 12.709 2.565 -2.813 1.00 95.21 17 A 1 ATOM 117 C CB . VAL A 1 17 ? 10.156 0.552 -2.937 1.00 94.87 17 A 1 ATOM 118 C CG1 . VAL A 1 17 ? 11.056 0.307 -4.144 1.00 89.73 17 A 1 ATOM 119 C CG2 . VAL A 1 17 ? 9.627 -0.768 -2.416 1.00 90.76 17 A 1 ATOM 120 N N . SER A 1 18 ? 10.794 3.659 -2.385 1.00 96.03 18 A 1 ATOM 121 C CA . SER A 1 18 ? 11.273 4.944 -2.899 1.00 95.61 18 A 1 ATOM 122 C C . SER A 1 18 ? 12.469 5.452 -2.099 1.00 95.52 18 A 1 ATOM 123 O O . SER A 1 18 ? 13.355 6.119 -2.639 1.00 92.99 18 A 1 ATOM 124 C CB . SER A 1 18 ? 10.147 5.974 -2.857 1.00 93.61 18 A 1 ATOM 125 O OG . SER A 1 18 ? 10.209 6.824 -3.981 1.00 82.52 18 A 1 ATOM 126 N N . ALA A 1 19 ? 12.497 5.144 -0.811 1.00 93.11 19 A 1 ATOM 127 C CA . ALA A 1 19 ? 13.581 5.574 0.066 1.00 90.65 19 A 1 ATOM 128 C C . ALA A 1 19 ? 14.889 4.855 -0.254 1.00 88.29 19 A 1 ATOM 129 O O . ALA A 1 19 ? 14.858 3.757 -0.825 1.00 84.98 19 A 1 ATOM 130 C CB . ALA A 1 19 ? 13.179 5.349 1.520 1.00 86.66 19 A 1 ATOM 131 O OXT . ALA A 1 19 ? 15.952 5.397 0.073 1.00 76.52 19 A 1 #