# 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_spkb21848 # _entry.id spkb21848 # 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n LEU 3 1 n TRP 4 1 n LEU 5 1 n THR 6 1 n VAL 7 1 n VAL 8 1 n ILE 9 1 n ALA 10 1 n LEU 11 1 n THR 12 1 n CYS 13 1 n LEU 14 1 n GLY 15 1 n GLY 16 1 n LEU 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 21:56:28)" _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 93.64 _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 82.56 1 1 A ALA 2 2 91.91 1 2 A LEU 3 2 93.64 1 3 A TRP 4 2 93.60 1 4 A LEU 5 2 95.83 1 5 A THR 6 2 95.88 1 6 A VAL 7 2 97.03 1 7 A VAL 8 2 96.94 1 8 A ILE 9 2 95.97 1 9 A ALA 10 2 97.18 1 10 A LEU 11 2 95.86 1 11 A THR 12 2 95.81 1 12 A CYS 13 2 96.54 1 13 A LEU 14 2 94.85 1 14 A GLY 15 2 96.67 1 15 A GLY 16 2 95.81 1 16 A LEU 17 2 88.96 1 17 A ALA 18 2 83.22 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 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 ? -10.675 -4.790 8.922 1.00 89.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.438 -3.964 7.707 1.00 89.73 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.952 -3.626 7.598 1.00 90.76 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.446 -2.794 8.342 1.00 87.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.250 -2.681 7.804 1.00 83.37 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.743 -3.019 7.800 1.00 78.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.180 -4.075 9.184 1.00 75.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.868 -3.586 9.430 1.00 66.20 1 A 1 ATOM 9 N N . ALA A 1 2 ? -8.282 -4.277 6.671 1.00 89.70 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -6.845 -4.053 6.469 1.00 93.23 2 A 1 ATOM 11 C C . ALA A 1 2 ? -6.557 -3.504 5.073 1.00 95.31 2 A 1 ATOM 12 O O . ALA A 1 2 ? -5.412 -3.500 4.625 1.00 92.62 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -6.102 -5.364 6.686 1.00 88.68 2 A 1 ATOM 14 N N . LEU A 1 3 ? -7.595 -3.070 4.403 1.00 96.09 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -7.441 -2.523 3.052 1.00 96.61 3 A 1 ATOM 16 C C . LEU A 1 3 ? -6.673 -1.204 3.085 1.00 97.49 3 A 1 ATOM 17 O O . LEU A 1 3 ? -5.956 -0.865 2.146 1.00 96.88 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -8.820 -2.306 2.427 1.00 95.58 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -8.765 -2.251 0.903 1.00 91.83 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -8.715 -3.668 0.334 1.00 88.61 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -9.980 -1.517 0.362 1.00 86.03 3 A 1 ATOM 22 N N . TRP A 1 4 ? -6.830 -0.478 4.175 1.00 96.23 4 A 1 ATOM 23 C CA . TRP A 1 4 ? -6.154 0.811 4.336 1.00 96.62 4 A 1 ATOM 24 C C . TRP A 1 4 ? -4.640 0.651 4.237 1.00 97.25 4 A 1 ATOM 25 O O . TRP A 1 4 ? -3.934 1.588 3.878 1.00 96.73 4 A 1 ATOM 26 C CB . TRP A 1 4 ? -6.523 1.400 5.690 1.00 95.93 4 A 1 ATOM 27 C CG . TRP A 1 4 ? -5.983 0.592 6.825 1.00 94.31 4 A 1 ATOM 28 C CD1 . TRP A 1 4 ? -6.371 -0.649 7.198 1.00 92.61 4 A 1 ATOM 29 C CD2 . TRP A 1 4 ? -4.919 0.971 7.721 1.00 93.75 4 A 1 ATOM 30 N NE1 . TRP A 1 4 ? -5.617 -1.075 8.262 1.00 91.19 4 A 1 ATOM 31 C CE2 . TRP A 1 4 ? -4.720 -0.099 8.613 1.00 92.65 4 A 1 ATOM 32 C CE3 . TRP A 1 4 ? -4.124 2.118 7.847 1.00 91.37 4 A 1 ATOM 33 C CZ2 . TRP A 1 4 ? -3.750 -0.050 9.619 1.00 91.99 4 A 1 ATOM 34 C CZ3 . TRP A 1 4 ? -3.162 2.166 8.854 1.00 90.01 4 A 1 ATOM 35 C CH2 . TRP A 1 4 ? -2.979 1.089 9.724 1.00 89.82 4 A 1 ATOM 36 N N . LEU A 1 5 ? -4.152 -0.538 4.546 1.00 97.62 5 A 1 ATOM 37 C CA . LEU A 1 5 ? -2.713 -0.814 4.482 1.00 97.65 5 A 1 ATOM 38 C C . LEU A 1 5 ? -2.192 -0.594 3.070 1.00 97.99 5 A 1 ATOM 39 O O . LEU A 1 5 ? -1.057 -0.161 2.874 1.00 97.74 5 A 1 ATOM 40 C CB . LEU A 1 5 ? -2.464 -2.260 4.912 1.00 97.26 5 A 1 ATOM 41 C CG . LEU A 1 5 ? -2.615 -2.453 6.422 1.00 94.42 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? -2.794 -3.930 6.748 1.00 92.00 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? -1.381 -1.914 7.139 1.00 91.92 5 A 1 ATOM 44 N N . THR A 1 6 ? -3.017 -0.887 2.105 1.00 97.20 6 A 1 ATOM 45 C CA . THR A 1 6 ? -2.636 -0.704 0.701 1.00 97.14 6 A 1 ATOM 46 C C . THR A 1 6 ? -2.332 0.764 0.423 1.00 97.49 6 A 1 ATOM 47 O O . THR A 1 6 ? -1.436 1.092 -0.358 1.00 97.01 6 A 1 ATOM 48 C CB . THR A 1 6 ? -3.769 -1.175 -0.213 1.00 96.52 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -4.226 -2.453 0.221 1.00 93.47 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -3.281 -1.288 -1.653 1.00 92.30 6 A 1 ATOM 51 N N . VAL A 1 7 ? -3.077 1.636 1.070 1.00 97.47 7 A 1 ATOM 52 C CA . VAL A 1 7 ? -2.880 3.076 0.892 1.00 97.50 7 A 1 ATOM 53 C C . VAL A 1 7 ? -1.501 3.483 1.401 1.00 97.64 7 A 1 ATOM 54 O O . VAL A 1 7 ? -0.804 4.281 0.772 1.00 97.46 7 A 1 ATOM 55 C CB . VAL A 1 7 ? -3.964 3.866 1.640 1.00 97.21 7 A 1 ATOM 56 C CG1 . VAL A 1 7 ? -3.790 5.362 1.414 1.00 96.27 7 A 1 ATOM 57 C CG2 . VAL A 1 7 ? -5.347 3.424 1.175 1.00 95.69 7 A 1 ATOM 58 N N . VAL A 1 8 ? -1.130 2.926 2.535 1.00 97.44 8 A 1 ATOM 59 C CA . VAL A 1 8 ? 0.176 3.233 3.128 1.00 97.29 8 A 1 ATOM 60 C C . VAL A 1 8 ? 1.298 2.727 2.227 1.00 97.41 8 A 1 ATOM 61 O O . VAL A 1 8 ? 2.300 3.416 2.019 1.00 97.29 8 A 1 ATOM 62 C CB . VAL A 1 8 ? 0.292 2.594 4.518 1.00 96.94 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? 1.632 2.936 5.155 1.00 96.27 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? -0.848 3.077 5.406 1.00 95.94 8 A 1 ATOM 65 N N . ILE A 1 9 ? 1.122 1.525 1.710 1.00 97.17 9 A 1 ATOM 66 C CA . ILE A 1 9 ? 2.126 0.928 0.826 1.00 96.83 9 A 1 ATOM 67 C C . ILE A 1 9 ? 2.276 1.762 -0.442 1.00 97.13 9 A 1 ATOM 68 O O . ILE A 1 9 ? 3.390 2.018 -0.907 1.00 97.20 9 A 1 ATOM 69 C CB . ILE A 1 9 ? 1.724 -0.510 0.468 1.00 96.67 9 A 1 ATOM 70 C CG1 . ILE A 1 9 ? 1.725 -1.386 1.721 1.00 95.44 9 A 1 ATOM 71 C CG2 . ILE A 1 9 ? 2.701 -1.089 -0.561 1.00 95.30 9 A 1 ATOM 72 C CD1 . ILE A 1 9 ? 0.893 -2.645 1.553 1.00 92.01 9 A 1 ATOM 73 N N . ALA A 1 10 ? 1.152 2.169 -0.986 1.00 97.41 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 1.163 2.977 -2.204 1.00 97.16 10 A 1 ATOM 75 C C . ALA A 1 10 ? 1.841 4.320 -1.947 1.00 97.38 10 A 1 ATOM 76 O O . ALA A 1 10 ? 2.571 4.833 -2.797 1.00 97.01 10 A 1 ATOM 77 C CB . ALA A 1 10 ? -0.267 3.195 -2.685 1.00 96.94 10 A 1 ATOM 78 N N . LEU A 1 11 ? 1.597 4.878 -0.773 1.00 97.29 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 2.193 6.161 -0.403 1.00 97.10 11 A 1 ATOM 80 C C . LEU A 1 11 ? 3.704 6.034 -0.295 1.00 97.38 11 A 1 ATOM 81 O O . LEU A 1 11 ? 4.443 6.926 -0.716 1.00 97.08 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 1.618 6.631 0.935 1.00 96.80 11 A 1 ATOM 83 C CG . LEU A 1 11 ? 1.561 8.149 1.045 1.00 95.04 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? 0.340 8.681 0.304 1.00 93.24 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? 1.509 8.572 2.506 1.00 92.97 11 A 1 ATOM 86 N N . THR A 1 12 ? 4.159 4.929 0.264 1.00 97.46 12 A 1 ATOM 87 C CA . THR A 1 12 ? 5.595 4.680 0.419 1.00 97.17 12 A 1 ATOM 88 C C . THR A 1 12 ? 6.264 4.576 -0.946 1.00 97.41 12 A 1 ATOM 89 O O . THR A 1 12 ? 7.380 5.067 -1.140 1.00 96.61 12 A 1 ATOM 90 C CB . THR A 1 12 ? 5.813 3.377 1.191 1.00 96.41 12 A 1 ATOM 91 O OG1 . THR A 1 12 ? 5.040 3.401 2.382 1.00 93.59 12 A 1 ATOM 92 C CG2 . THR A 1 12 ? 7.278 3.214 1.563 1.00 92.01 12 A 1 ATOM 93 N N . CYS A 1 13 ? 5.582 3.942 -1.877 1.00 97.55 13 A 1 ATOM 94 C CA . CYS A 1 13 ? 6.110 3.782 -3.232 1.00 97.36 13 A 1 ATOM 95 C C . CYS A 1 13 ? 6.267 5.144 -3.901 1.00 97.32 13 A 1 ATOM 96 O O . CYS A 1 13 ? 7.265 5.413 -4.568 1.00 95.95 13 A 1 ATOM 97 C CB . CYS A 1 13 ? 5.158 2.901 -4.047 1.00 96.74 13 A 1 ATOM 98 S SG . CYS A 1 13 ? 5.865 2.470 -5.642 1.00 94.29 13 A 1 ATOM 99 N N . LEU A 1 14 ? 5.273 5.996 -3.709 1.00 97.18 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 5.305 7.336 -4.291 1.00 96.85 14 A 1 ATOM 101 C C . LEU A 1 14 ? 6.254 8.236 -3.516 1.00 97.15 14 A 1 ATOM 102 O O . LEU A 1 14 ? 6.899 9.109 -4.098 1.00 96.18 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 3.894 7.923 -4.266 1.00 96.21 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 2.918 7.179 -5.171 1.00 94.22 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 1.489 7.516 -4.797 1.00 91.29 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 3.178 7.544 -6.629 1.00 89.72 14 A 1 ATOM 107 N N . GLY A 1 15 ? 6.336 8.020 -2.213 1.00 96.90 15 A 1 ATOM 108 C CA . GLY A 1 15 ? 7.221 8.815 -1.361 1.00 96.55 15 A 1 ATOM 109 C C . GLY A 1 15 ? 8.660 8.727 -1.806 1.00 97.14 15 A 1 ATOM 110 O O . GLY A 1 15 ? 9.399 9.710 -1.750 1.00 96.08 15 A 1 ATOM 111 N N . GLY A 1 16 ? 9.066 7.557 -2.268 1.00 96.35 16 A 1 ATOM 112 C CA . GLY A 1 16 ? 10.441 7.373 -2.732 1.00 95.97 16 A 1 ATOM 113 C C . GLY A 1 16 ? 11.370 7.018 -1.595 1.00 96.44 16 A 1 ATOM 114 O O . GLY A 1 16 ? 12.364 7.702 -1.374 1.00 94.49 16 A 1 ATOM 115 N N . LEU A 1 17 ? 11.043 5.953 -0.874 1.00 93.63 17 A 1 ATOM 116 C CA . LEU A 1 17 ? 11.886 5.501 0.234 1.00 93.04 17 A 1 ATOM 117 C C . LEU A 1 17 ? 13.155 4.875 -0.317 1.00 93.59 17 A 1 ATOM 118 O O . LEU A 1 17 ? 14.247 5.109 0.187 1.00 90.00 17 A 1 ATOM 119 C CB . LEU A 1 17 ? 11.119 4.487 1.099 1.00 90.61 17 A 1 ATOM 120 C CG . LEU A 1 17 ? 11.427 4.596 2.583 1.00 88.01 17 A 1 ATOM 121 C CD1 . LEU A 1 17 ? 12.904 4.428 2.855 1.00 83.60 17 A 1 ATOM 122 C CD2 . LEU A 1 17 ? 10.933 5.930 3.114 1.00 79.23 17 A 1 ATOM 123 N N . ALA A 1 18 ? 12.995 4.082 -1.388 1.00 90.35 18 A 1 ATOM 124 C CA . ALA A 1 18 ? 14.121 3.405 -2.052 1.00 87.88 18 A 1 ATOM 125 C C . ALA A 1 18 ? 14.956 2.632 -1.038 1.00 85.49 18 A 1 ATOM 126 O O . ALA A 1 18 ? 15.859 3.213 -0.430 1.00 79.73 18 A 1 ATOM 127 C CB . ALA A 1 18 ? 14.978 4.424 -2.777 1.00 81.72 18 A 1 ATOM 128 O OXT . ALA A 1 18 ? 14.679 1.410 -0.875 1.00 74.15 18 A 1 #