# 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_spkb17393 # _entry.id spkb17393 # 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" "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" "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 PHE 2 1 n LEU 3 1 n THR 4 1 n SER 5 1 n VAL 6 1 n VAL 7 1 n SER 8 1 n LEU 9 1 n VAL 10 1 n VAL 11 1 n GLY 12 1 n ALA 13 1 n ILE 14 1 n SER 15 1 n CYS 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 @ 2025-07-09 23:26:56)" _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 93.06 _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 86.90 1 1 A PHE 2 2 89.19 1 2 A LEU 3 2 92.59 1 3 A THR 4 2 94.02 1 4 A SER 5 2 93.82 1 5 A VAL 6 2 94.88 1 6 A VAL 7 2 94.86 1 7 A SER 8 2 93.92 1 8 A LEU 9 2 93.82 1 9 A VAL 10 2 96.23 1 10 A VAL 11 2 95.36 1 11 A GLY 12 2 96.75 1 12 A ALA 13 2 96.72 1 13 A ILE 14 2 93.41 1 14 A SER 15 2 94.64 1 15 A CYS 16 2 94.41 1 16 A VAL 17 2 92.55 1 17 A SER 18 2 92.72 1 18 A ALA 19 2 86.72 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 PHE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n CYS . 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 ? -6.730 -8.134 -4.066 1.00 90.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.709 -7.395 -4.831 1.00 92.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.471 -7.134 -3.971 1.00 93.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.501 -6.312 -3.059 1.00 92.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.274 -6.065 -5.322 1.00 87.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.399 -6.247 -6.337 1.00 83.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.803 -6.981 -7.862 1.00 81.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.331 -7.087 -8.785 1.00 72.24 1 A 1 ATOM 9 N N . PHE A 1 2 ? -3.387 -7.840 -4.284 1.00 91.74 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -2.142 -7.703 -3.534 1.00 93.62 2 A 1 ATOM 11 C C . PHE A 1 2 ? -1.480 -6.355 -3.817 1.00 95.87 2 A 1 ATOM 12 O O . PHE A 1 2 ? -0.954 -5.709 -2.911 1.00 95.38 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -1.190 -8.847 -3.900 1.00 91.66 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -0.113 -9.064 -2.870 1.00 88.46 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -0.383 -9.774 -1.711 1.00 86.26 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 1.155 -8.560 -3.070 1.00 84.92 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 0.594 -9.979 -0.757 1.00 84.36 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 2.147 -8.753 -2.114 1.00 84.20 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 1.866 -9.464 -0.958 1.00 84.60 2 A 1 ATOM 20 N N . LEU A 1 3 ? -1.535 -5.928 -5.079 1.00 95.15 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -0.952 -4.648 -5.488 1.00 96.13 3 A 1 ATOM 22 C C . LEU A 1 3 ? -1.623 -3.481 -4.772 1.00 96.84 3 A 1 ATOM 23 O O . LEU A 1 3 ? -0.961 -2.544 -4.322 1.00 96.35 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -1.086 -4.473 -7.003 1.00 95.27 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -0.291 -5.472 -7.837 1.00 89.28 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -0.654 -5.330 -9.307 1.00 87.00 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? 1.203 -5.270 -7.638 1.00 84.71 3 A 1 ATOM 28 N N . THR A 1 4 ? -2.938 -3.547 -4.658 1.00 96.38 4 A 1 ATOM 29 C CA . THR A 1 4 ? -3.713 -2.505 -3.986 1.00 96.05 4 A 1 ATOM 30 C C . THR A 1 4 ? -3.341 -2.417 -2.509 1.00 96.60 4 A 1 ATOM 31 O O . THR A 1 4 ? -3.257 -1.326 -1.937 1.00 95.75 4 A 1 ATOM 32 C CB . THR A 1 4 ? -5.219 -2.778 -4.106 1.00 94.65 4 A 1 ATOM 33 O OG1 . THR A 1 4 ? -5.564 -3.036 -5.468 1.00 89.47 4 A 1 ATOM 34 C CG2 . THR A 1 4 ? -6.024 -1.598 -3.593 1.00 89.25 4 A 1 ATOM 35 N N . SER A 1 5 ? -3.098 -3.565 -1.898 1.00 95.50 5 A 1 ATOM 36 C CA . SER A 1 5 ? -2.717 -3.630 -0.490 1.00 95.66 5 A 1 ATOM 37 C C . SER A 1 5 ? -1.369 -2.949 -0.256 1.00 96.71 5 A 1 ATOM 38 O O . SER A 1 5 ? -1.187 -2.223 0.721 1.00 95.75 5 A 1 ATOM 39 C CB . SER A 1 5 ? -2.647 -5.084 -0.026 1.00 94.20 5 A 1 ATOM 40 O OG . SER A 1 5 ? -2.355 -5.143 1.354 1.00 85.08 5 A 1 ATOM 41 N N . VAL A 1 6 ? -0.433 -3.180 -1.172 1.00 95.67 6 A 1 ATOM 42 C CA . VAL A 1 6 ? 0.899 -2.581 -1.086 1.00 96.02 6 A 1 ATOM 43 C C . VAL A 1 6 ? 0.816 -1.059 -1.169 1.00 96.66 6 A 1 ATOM 44 O O . VAL A 1 6 ? 1.477 -0.345 -0.412 1.00 96.21 6 A 1 ATOM 45 C CB . VAL A 1 6 ? 1.818 -3.110 -2.202 1.00 95.05 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? 3.180 -2.429 -2.143 1.00 92.14 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? 1.977 -4.618 -2.084 1.00 92.43 6 A 1 ATOM 48 N N . VAL A 1 7 ? 0.001 -0.570 -2.091 1.00 95.72 7 A 1 ATOM 49 C CA . VAL A 1 7 ? -0.177 0.871 -2.275 1.00 95.96 7 A 1 ATOM 50 C C . VAL A 1 7 ? -0.710 1.515 -1.000 1.00 96.60 7 A 1 ATOM 51 O O . VAL A 1 7 ? -0.252 2.582 -0.587 1.00 96.40 7 A 1 ATOM 52 C CB . VAL A 1 7 ? -1.140 1.159 -3.441 1.00 95.18 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? -1.400 2.657 -3.572 1.00 91.93 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? -0.578 0.607 -4.740 1.00 92.22 7 A 1 ATOM 55 N N . SER A 1 8 ? -1.665 0.854 -0.374 1.00 95.73 8 A 1 ATOM 56 C CA . SER A 1 8 ? -2.264 1.351 0.863 1.00 95.88 8 A 1 ATOM 57 C C . SER A 1 8 ? -1.218 1.463 1.972 1.00 96.75 8 A 1 ATOM 58 O O . SER A 1 8 ? -1.191 2.441 2.720 1.00 95.83 8 A 1 ATOM 59 C CB . SER A 1 8 ? -3.395 0.425 1.310 1.00 94.71 8 A 1 ATOM 60 O OG . SER A 1 8 ? -4.045 0.954 2.446 1.00 84.62 8 A 1 ATOM 61 N N . LEU A 1 9 ? -0.347 0.470 2.053 1.00 95.88 9 A 1 ATOM 62 C CA . LEU A 1 9 ? 0.711 0.454 3.058 1.00 96.09 9 A 1 ATOM 63 C C . LEU A 1 9 ? 1.716 1.576 2.818 1.00 96.86 9 A 1 ATOM 64 O O . LEU A 1 9 ? 2.181 2.216 3.765 1.00 96.29 9 A 1 ATOM 65 C CB . LEU A 1 9 ? 1.428 -0.898 3.037 1.00 95.82 9 A 1 ATOM 66 C CG . LEU A 1 9 ? 0.610 -2.061 3.598 1.00 91.46 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? 1.304 -3.383 3.316 1.00 89.02 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? 0.384 -1.891 5.092 1.00 89.11 9 A 1 ATOM 69 N N . VAL A 1 10 ? 2.049 1.807 1.553 1.00 97.21 10 A 1 ATOM 70 C CA . VAL A 1 10 ? 2.993 2.859 1.180 1.00 97.03 10 A 1 ATOM 71 C C . VAL A 1 10 ? 2.464 4.228 1.584 1.00 97.19 10 A 1 ATOM 72 O O . VAL A 1 10 ? 3.187 5.044 2.160 1.00 96.68 10 A 1 ATOM 73 C CB . VAL A 1 10 ? 3.275 2.840 -0.333 1.00 96.41 10 A 1 ATOM 74 C CG1 . VAL A 1 10 ? 4.156 4.020 -0.732 1.00 94.55 10 A 1 ATOM 75 C CG2 . VAL A 1 10 ? 3.942 1.532 -0.728 1.00 94.55 10 A 1 ATOM 76 N N . VAL A 1 11 ? 1.201 4.479 1.282 1.00 96.79 11 A 1 ATOM 77 C CA . VAL A 1 11 ? 0.565 5.750 1.618 1.00 96.51 11 A 1 ATOM 78 C C . VAL A 1 11 ? 0.535 5.949 3.129 1.00 96.88 11 A 1 ATOM 79 O O . VAL A 1 11 ? 0.781 7.048 3.632 1.00 96.29 11 A 1 ATOM 80 C CB . VAL A 1 11 ? -0.867 5.815 1.056 1.00 95.48 11 A 1 ATOM 81 C CG1 . VAL A 1 11 ? -1.558 7.104 1.488 1.00 92.47 11 A 1 ATOM 82 C CG2 . VAL A 1 11 ? -0.845 5.714 -0.459 1.00 93.07 11 A 1 ATOM 83 N N . GLY A 1 12 ? 0.240 4.885 3.850 1.00 96.66 12 A 1 ATOM 84 C CA . GLY A 1 12 ? 0.194 4.946 5.305 1.00 96.46 12 A 1 ATOM 85 C C . GLY A 1 12 ? 1.555 5.238 5.907 1.00 97.18 12 A 1 ATOM 86 O O . GLY A 1 12 ? 1.672 6.001 6.869 1.00 96.71 12 A 1 ATOM 87 N N . ALA A 1 13 ? 2.599 4.641 5.328 1.00 97.10 13 A 1 ATOM 88 C CA . ALA A 1 13 ? 3.966 4.826 5.805 1.00 96.99 13 A 1 ATOM 89 C C . ALA A 1 13 ? 4.423 6.271 5.646 1.00 97.19 13 A 1 ATOM 90 O O . ALA A 1 13 ? 4.955 6.869 6.583 1.00 96.08 13 A 1 ATOM 91 C CB . ALA A 1 13 ? 4.911 3.893 5.051 1.00 96.25 13 A 1 ATOM 92 N N . ILE A 1 14 ? 4.217 6.837 4.462 1.00 96.60 14 A 1 ATOM 93 C CA . ILE A 1 14 ? 4.617 8.217 4.188 1.00 95.93 14 A 1 ATOM 94 C C . ILE A 1 14 ? 3.809 9.200 5.029 1.00 96.08 14 A 1 ATOM 95 O O . ILE A 1 14 ? 4.330 10.230 5.463 1.00 95.27 14 A 1 ATOM 96 C CB . ILE A 1 14 ? 4.457 8.560 2.697 1.00 95.14 14 A 1 ATOM 97 C CG1 . ILE A 1 14 ? 3.014 8.358 2.241 1.00 92.27 14 A 1 ATOM 98 C CG2 . ILE A 1 14 ? 5.416 7.722 1.863 1.00 91.51 14 A 1 ATOM 99 C CD1 . ILE A 1 14 ? 2.741 8.834 0.826 1.00 84.49 14 A 1 ATOM 100 N N . SER A 1 15 ? 2.548 8.878 5.249 1.00 96.88 15 A 1 ATOM 101 C CA . SER A 1 15 ? 1.663 9.726 6.041 1.00 96.62 15 A 1 ATOM 102 C C . SER A 1 15 ? 2.098 9.753 7.503 1.00 96.91 15 A 1 ATOM 103 O O . SER A 1 15 ? 2.093 10.803 8.147 1.00 95.48 15 A 1 ATOM 104 C CB . SER A 1 15 ? 0.220 9.234 5.941 1.00 95.30 15 A 1 ATOM 105 O OG . SER A 1 15 ? -0.645 10.080 6.672 1.00 86.64 15 A 1 ATOM 106 N N . CYS A 1 16 ? 2.493 8.600 8.020 1.00 96.44 16 A 1 ATOM 107 C CA . CYS A 1 16 ? 2.932 8.474 9.408 1.00 96.32 16 A 1 ATOM 108 C C . CYS A 1 16 ? 4.215 9.266 9.663 1.00 96.54 16 A 1 ATOM 109 O O . CYS A 1 16 ? 4.360 9.928 10.692 1.00 94.95 16 A 1 ATOM 110 C CB . CYS A 1 16 ? 3.156 6.999 9.763 1.00 94.65 16 A 1 ATOM 111 S SG . CYS A 1 16 ? 3.557 6.755 11.504 1.00 87.57 16 A 1 ATOM 112 N N . VAL A 1 17 ? 5.149 9.183 8.711 1.00 95.23 17 A 1 ATOM 113 C CA . VAL A 1 17 ? 6.423 9.892 8.833 1.00 95.12 17 A 1 ATOM 114 C C . VAL A 1 17 ? 6.256 11.387 8.589 1.00 95.72 17 A 1 ATOM 115 O O . VAL A 1 17 ? 6.890 12.214 9.255 1.00 94.50 17 A 1 ATOM 116 C CB . VAL A 1 17 ? 7.463 9.327 7.851 1.00 93.03 17 A 1 ATOM 117 C CG1 . VAL A 1 17 ? 8.778 10.092 7.965 1.00 87.12 17 A 1 ATOM 118 C CG2 . VAL A 1 17 ? 7.691 7.850 8.112 1.00 87.16 17 A 1 ATOM 119 N N . SER A 1 18 ? 5.405 11.734 7.626 1.00 95.42 18 A 1 ATOM 120 C CA . SER A 1 18 ? 5.168 13.132 7.270 1.00 95.29 18 A 1 ATOM 121 C C . SER A 1 18 ? 4.422 13.877 8.372 1.00 95.28 18 A 1 ATOM 122 O O . SER A 1 18 ? 4.663 15.059 8.612 1.00 92.50 18 A 1 ATOM 123 C CB . SER A 1 18 ? 4.379 13.220 5.966 1.00 93.43 18 A 1 ATOM 124 O OG . SER A 1 18 ? 5.125 12.679 4.894 1.00 84.38 18 A 1 ATOM 125 N N . ALA A 1 19 ? 3.505 13.183 9.043 1.00 91.98 19 A 1 ATOM 126 C CA . ALA A 1 19 ? 2.691 13.786 10.087 1.00 90.09 19 A 1 ATOM 127 C C . ALA A 1 19 ? 2.885 13.083 11.431 1.00 89.02 19 A 1 ATOM 128 O O . ALA A 1 19 ? 3.079 11.865 11.445 1.00 85.15 19 A 1 ATOM 129 C CB . ALA A 1 19 ? 1.221 13.749 9.692 1.00 85.28 19 A 1 ATOM 130 O OXT . ALA A 1 19 ? 2.798 13.760 12.467 1.00 78.80 19 A 1 #