# 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_spkb22374 # _entry.id spkb22374 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLN 2 1 n PHE 3 1 n SER 4 1 n LEU 5 1 n SER 6 1 n ALA 7 1 n ILE 8 1 n VAL 9 1 n LEU 10 1 n GLY 11 1 n LEU 12 1 n ALA 13 1 n ALA 14 1 n THR 15 1 n VAL 16 1 n TYR 17 1 n ALA 18 # _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 08:58:39)" _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 92.32 _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 78.11 1 1 A GLN 2 2 81.31 1 2 A PHE 3 2 82.43 1 3 A SER 4 2 93.67 1 4 A LEU 5 2 93.23 1 5 A SER 6 2 95.65 1 6 A ALA 7 2 97.31 1 7 A ILE 8 2 95.02 1 8 A VAL 9 2 96.66 1 9 A LEU 10 2 95.42 1 10 A GLY 11 2 97.77 1 11 A LEU 12 2 95.84 1 12 A ALA 13 2 97.98 1 13 A ALA 14 2 98.17 1 14 A THR 15 2 96.60 1 15 A VAL 16 2 97.12 1 16 A TYR 17 2 94.07 1 17 A ALA 18 2 91.01 1 18 # _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 GLN . 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 ALA . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -11.595 -8.179 8.789 1.00 83.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.509 -6.763 8.377 1.00 84.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.552 -6.652 6.853 1.00 86.40 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.667 -7.154 6.168 1.00 83.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.213 -6.132 8.883 1.00 78.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.140 -6.108 10.402 1.00 74.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.594 -5.390 11.004 1.00 71.25 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.871 -5.503 12.757 1.00 61.86 1 A 1 ATOM 9 N N . GLN A 1 2 ? -12.581 -5.997 6.338 1.00 85.72 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -12.740 -5.819 4.895 1.00 89.65 2 A 1 ATOM 11 C C . GLN A 1 2 ? -11.792 -4.752 4.355 1.00 91.56 2 A 1 ATOM 12 O O . GLN A 1 2 ? -11.476 -4.727 3.167 1.00 88.32 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -14.189 -5.415 4.593 1.00 85.97 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -15.177 -6.522 4.891 1.00 78.13 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -15.002 -7.700 3.952 1.00 76.39 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.841 -7.524 2.754 1.00 69.86 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.036 -8.904 4.474 1.00 66.23 2 A 1 ATOM 18 N N . PHE A 1 3 ? -11.330 -3.857 5.224 1.00 86.72 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -10.458 -2.762 4.822 1.00 88.48 3 A 1 ATOM 20 C C . PHE A 1 3 ? -8.994 -3.104 5.092 1.00 92.68 3 A 1 ATOM 21 O O . PHE A 1 3 ? -8.521 -2.994 6.225 1.00 91.36 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -10.845 -1.495 5.578 1.00 85.33 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -12.309 -1.162 5.447 1.00 80.74 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -12.781 -0.545 4.306 1.00 78.74 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -13.196 -1.482 6.460 1.00 77.37 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -14.126 -0.242 4.167 1.00 75.69 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -14.547 -1.187 6.332 1.00 75.42 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -15.013 -0.565 5.182 1.00 74.16 3 A 1 ATOM 29 N N . SER A 1 4 ? -8.267 -3.501 4.044 1.00 94.43 4 A 1 ATOM 30 C CA . SER A 1 4 ? -6.854 -3.860 4.157 1.00 95.89 4 A 1 ATOM 31 C C . SER A 1 4 ? -5.965 -2.716 3.678 1.00 96.92 4 A 1 ATOM 32 O O . SER A 1 4 ? -5.007 -2.916 2.930 1.00 96.36 4 A 1 ATOM 33 C CB . SER A 1 4 ? -6.558 -5.124 3.353 1.00 94.57 4 A 1 ATOM 34 O OG . SER A 1 4 ? -7.379 -6.193 3.776 1.00 83.82 4 A 1 ATOM 35 N N . LEU A 1 5 ? -6.290 -1.503 4.109 1.00 95.45 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -5.561 -0.309 3.697 1.00 95.87 5 A 1 ATOM 37 C C . LEU A 1 5 ? -4.127 -0.313 4.209 1.00 96.65 5 A 1 ATOM 38 O O . LEU A 1 5 ? -3.217 0.130 3.515 1.00 96.41 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -6.283 0.939 4.201 1.00 95.17 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -7.681 1.124 3.619 1.00 90.79 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -8.357 2.322 4.253 1.00 88.35 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -7.614 1.285 2.110 1.00 87.16 5 A 1 ATOM 43 N N . SER A 1 6 ? -3.911 -0.813 5.423 1.00 96.67 6 A 1 ATOM 44 C CA . SER A 1 6 ? -2.581 -0.838 6.030 1.00 96.85 6 A 1 ATOM 45 C C . SER A 1 6 ? -1.573 -1.573 5.153 1.00 97.44 6 A 1 ATOM 46 O O . SER A 1 6 ? -0.458 -1.104 4.944 1.00 97.07 6 A 1 ATOM 47 C CB . SER A 1 6 ? -2.641 -1.493 7.404 1.00 95.85 6 A 1 ATOM 48 O OG . SER A 1 6 ? -3.516 -0.773 8.255 1.00 90.00 6 A 1 ATOM 49 N N . ALA A 1 7 ? -1.969 -2.731 4.623 1.00 97.30 7 A 1 ATOM 50 C CA . ALA A 1 7 ? -1.086 -3.523 3.768 1.00 97.43 7 A 1 ATOM 51 C C . ALA A 1 7 ? -0.817 -2.825 2.438 1.00 97.82 7 A 1 ATOM 52 O O . ALA A 1 7 ? 0.315 -2.804 1.954 1.00 97.23 7 A 1 ATOM 53 C CB . ALA A 1 7 ? -1.703 -4.894 3.522 1.00 96.77 7 A 1 ATOM 54 N N . ILE A 1 8 ? -1.858 -2.247 1.851 1.00 96.80 8 A 1 ATOM 55 C CA . ILE A 1 8 ? -1.734 -1.559 0.571 1.00 96.79 8 A 1 ATOM 56 C C . ILE A 1 8 ? -0.912 -0.284 0.709 1.00 97.42 8 A 1 ATOM 57 O O . ILE A 1 8 ? -0.019 -0.015 -0.099 1.00 97.13 8 A 1 ATOM 58 C CB . ILE A 1 8 ? -3.120 -1.221 0.001 1.00 96.37 8 A 1 ATOM 59 C CG1 . ILE A 1 8 ? -3.914 -2.507 -0.249 1.00 94.01 8 A 1 ATOM 60 C CG2 . ILE A 1 8 ? -2.978 -0.423 -1.295 1.00 93.32 8 A 1 ATOM 61 C CD1 . ILE A 1 8 ? -5.360 -2.254 -0.608 1.00 88.28 8 A 1 ATOM 62 N N . VAL A 1 9 ? -1.207 0.504 1.732 1.00 97.00 9 A 1 ATOM 63 C CA . VAL A 1 9 ? -0.504 1.765 1.964 1.00 97.36 9 A 1 ATOM 64 C C . VAL A 1 9 ? 0.971 1.519 2.250 1.00 97.76 9 A 1 ATOM 65 O O . VAL A 1 9 ? 1.843 2.187 1.693 1.00 97.65 9 A 1 ATOM 66 C CB . VAL A 1 9 ? -1.141 2.540 3.129 1.00 96.88 9 A 1 ATOM 67 C CG1 . VAL A 1 9 ? -0.312 3.770 3.477 1.00 95.05 9 A 1 ATOM 68 C CG2 . VAL A 1 9 ? -2.555 2.956 2.763 1.00 94.92 9 A 1 ATOM 69 N N . LEU A 1 10 ? 1.258 0.568 3.123 1.00 97.40 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 2.638 0.257 3.481 1.00 97.12 10 A 1 ATOM 71 C C . LEU A 1 10 ? 3.411 -0.271 2.279 1.00 97.59 10 A 1 ATOM 72 O O . LEU A 1 10 ? 4.566 0.099 2.061 1.00 97.36 10 A 1 ATOM 73 C CB . LEU A 1 10 ? 2.663 -0.772 4.611 1.00 96.43 10 A 1 ATOM 74 C CG . LEU A 1 10 ? 4.062 -1.082 5.140 1.00 93.32 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? 4.689 0.165 5.741 1.00 92.10 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 3.996 -2.192 6.173 1.00 92.07 10 A 1 ATOM 77 N N . GLY A 1 11 ? 2.779 -1.141 1.499 1.00 97.48 11 A 1 ATOM 78 C CA . GLY A 1 11 ? 3.422 -1.697 0.312 1.00 97.55 11 A 1 ATOM 79 C C . GLY A 1 11 ? 3.710 -0.643 -0.737 1.00 98.08 11 A 1 ATOM 80 O O . GLY A 1 11 ? 4.807 -0.588 -1.297 1.00 97.95 11 A 1 ATOM 81 N N . LEU A 1 12 ? 2.735 0.218 -0.997 1.00 97.27 12 A 1 ATOM 82 C CA . LEU A 1 12 ? 2.889 1.281 -1.986 1.00 97.39 12 A 1 ATOM 83 C C . LEU A 1 12 ? 3.934 2.290 -1.522 1.00 97.96 12 A 1 ATOM 84 O O . LEU A 1 12 ? 4.778 2.735 -2.301 1.00 97.76 12 A 1 ATOM 85 C CB . LEU A 1 12 ? 1.542 1.968 -2.223 1.00 96.94 12 A 1 ATOM 86 C CG . LEU A 1 12 ? 1.504 2.861 -3.463 1.00 93.99 12 A 1 ATOM 87 C CD1 . LEU A 1 12 ? 0.068 3.009 -3.950 1.00 92.84 12 A 1 ATOM 88 C CD2 . LEU A 1 12 ? 2.091 4.229 -3.179 1.00 92.56 12 A 1 ATOM 89 N N . ALA A 1 13 ? 3.897 2.649 -0.239 1.00 98.05 13 A 1 ATOM 90 C CA . ALA A 1 13 ? 4.850 3.598 0.328 1.00 98.05 13 A 1 ATOM 91 C C . ALA A 1 13 ? 6.269 3.062 0.224 1.00 98.26 13 A 1 ATOM 92 O O . ALA A 1 13 ? 7.202 3.805 -0.072 1.00 97.85 13 A 1 ATOM 93 C CB . ALA A 1 13 ? 4.505 3.879 1.785 1.00 97.68 13 A 1 ATOM 94 N N . ALA A 1 14 ? 6.450 1.768 0.462 1.00 98.34 14 A 1 ATOM 95 C CA . ALA A 1 14 ? 7.767 1.144 0.382 1.00 98.27 14 A 1 ATOM 96 C C . ALA A 1 14 ? 8.335 1.253 -1.028 1.00 98.44 14 A 1 ATOM 97 O O . ALA A 1 14 ? 9.530 1.465 -1.209 1.00 97.96 14 A 1 ATOM 98 C CB . ALA A 1 14 ? 7.678 -0.318 0.796 1.00 97.82 14 A 1 ATOM 99 N N . THR A 1 15 ? 7.479 1.128 -2.036 1.00 98.36 15 A 1 ATOM 100 C CA . THR A 1 15 ? 7.905 1.224 -3.432 1.00 98.22 15 A 1 ATOM 101 C C . THR A 1 15 ? 8.394 2.632 -3.764 1.00 98.38 15 A 1 ATOM 102 O O . THR A 1 15 ? 9.347 2.804 -4.524 1.00 97.92 15 A 1 ATOM 103 C CB . THR A 1 15 ? 6.753 0.864 -4.377 1.00 97.54 15 A 1 ATOM 104 O OG1 . THR A 1 15 ? 6.277 -0.446 -4.075 1.00 93.07 15 A 1 ATOM 105 C CG2 . THR A 1 15 ? 7.212 0.895 -5.826 1.00 92.70 15 A 1 ATOM 106 N N . VAL A 1 16 ? 7.747 3.642 -3.192 1.00 98.29 16 A 1 ATOM 107 C CA . VAL A 1 16 ? 8.105 5.039 -3.445 1.00 98.25 16 A 1 ATOM 108 C C . VAL A 1 16 ? 9.322 5.470 -2.632 1.00 98.35 16 A 1 ATOM 109 O O . VAL A 1 16 ? 10.220 6.143 -3.143 1.00 97.91 16 A 1 ATOM 110 C CB . VAL A 1 16 ? 6.923 5.967 -3.134 1.00 97.70 16 A 1 ATOM 111 C CG1 . VAL A 1 16 ? 7.312 7.422 -3.365 1.00 94.78 16 A 1 ATOM 112 C CG2 . VAL A 1 16 ? 5.726 5.599 -3.992 1.00 94.55 16 A 1 ATOM 113 N N . TYR A 1 17 ? 9.336 5.084 -1.354 1.00 98.03 17 A 1 ATOM 114 C CA . TYR A 1 17 ? 10.416 5.492 -0.455 1.00 97.66 17 A 1 ATOM 115 C C . TYR A 1 17 ? 11.651 4.599 -0.558 1.00 97.61 17 A 1 ATOM 116 O O . TYR A 1 17 ? 12.702 4.932 -0.020 1.00 96.83 17 A 1 ATOM 117 C CB . TYR A 1 17 ? 9.911 5.511 0.989 1.00 96.81 17 A 1 ATOM 118 C CG . TYR A 1 17 ? 8.963 6.662 1.264 1.00 94.52 17 A 1 ATOM 119 C CD1 . TYR A 1 17 ? 7.611 6.552 0.986 1.00 92.13 17 A 1 ATOM 120 C CD2 . TYR A 1 17 ? 9.436 7.851 1.799 1.00 92.29 17 A 1 ATOM 121 C CE1 . TYR A 1 17 ? 6.746 7.607 1.228 1.00 91.49 17 A 1 ATOM 122 C CE2 . TYR A 1 17 ? 8.576 8.914 2.049 1.00 90.77 17 A 1 ATOM 123 C CZ . TYR A 1 17 ? 7.233 8.785 1.758 1.00 91.08 17 A 1 ATOM 124 O OH . TYR A 1 17 ? 6.384 9.829 2.000 1.00 89.64 17 A 1 ATOM 125 N N . ALA A 1 18 ? 11.527 3.471 -1.246 1.00 95.53 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 12.632 2.521 -1.379 1.00 93.83 18 A 1 ATOM 127 C C . ALA A 1 18 ? 12.669 1.914 -2.778 1.00 92.19 18 A 1 ATOM 128 O O . ALA A 1 18 ? 12.981 0.722 -2.924 1.00 89.24 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 12.502 1.434 -0.323 1.00 91.18 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? 12.405 2.635 -3.767 1.00 84.10 18 A 1 #