# 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_spkb42234 # _entry.id spkb42234 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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 LYS 2 1 n ARG 3 1 n LEU 4 1 n VAL 5 1 n THR 6 1 n GLY 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n LEU 11 1 n SER 12 1 n LEU 13 1 n PHE 14 1 n LEU 15 1 n ALA 16 1 n ALA 17 # _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 06:19:28)" _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 93.55 _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 87.01 1 1 A LYS 2 2 89.61 1 2 A ARG 3 2 89.06 1 3 A LEU 4 2 93.44 1 4 A VAL 5 2 96.02 1 5 A THR 6 2 95.62 1 6 A GLY 7 2 97.88 1 7 A LEU 8 2 95.72 1 8 A LEU 9 2 95.27 1 9 A ALA 10 2 97.65 1 10 A LEU 11 2 94.29 1 11 A SER 12 2 96.37 1 12 A LEU 13 2 95.26 1 13 A PHE 14 2 93.83 1 14 A LEU 15 2 93.72 1 15 A ALA 16 2 96.89 1 16 A ALA 17 2 90.20 1 17 # _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 LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? -6.188 10.585 5.348 1.00 91.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.196 9.295 4.651 1.00 93.52 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.779 8.874 4.261 1.00 94.10 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.280 9.260 3.209 1.00 91.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.070 9.373 3.406 1.00 89.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.810 10.619 2.568 1.00 84.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.158 10.952 1.441 1.00 80.70 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.946 12.702 1.199 1.00 70.64 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.146 8.115 5.117 1.00 94.69 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.794 7.636 4.870 1.00 95.38 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.739 6.114 4.885 1.00 95.85 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.044 5.502 4.074 1.00 94.60 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.840 8.225 5.910 1.00 94.10 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.260 7.968 7.349 1.00 89.29 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -2.051 9.210 8.196 1.00 87.29 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -2.767 9.092 9.522 1.00 80.61 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -2.730 10.379 10.257 1.00 74.70 2 A 1 ATOM 18 N N . ARG A 1 3 ? -3.486 5.535 5.811 1.00 95.88 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -3.544 4.079 5.934 1.00 96.87 3 A 1 ATOM 20 C C . ARG A 1 3 ? -4.170 3.447 4.699 1.00 97.61 3 A 1 ATOM 21 O O . ARG A 1 3 ? -3.763 2.368 4.274 1.00 96.21 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -4.341 3.694 7.175 1.00 95.79 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -3.463 3.172 8.294 1.00 92.04 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -3.024 1.737 7.995 1.00 89.24 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -2.632 1.027 9.212 1.00 83.20 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -2.205 -0.219 9.233 1.00 81.34 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -2.099 -0.910 8.114 1.00 76.15 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -1.878 -0.794 10.376 1.00 75.32 3 A 1 ATOM 29 N N . LEU A 1 4 ? -5.144 4.128 4.132 1.00 94.88 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -5.833 3.642 2.940 1.00 96.04 4 A 1 ATOM 31 C C . LEU A 1 4 ? -4.860 3.473 1.780 1.00 97.05 4 A 1 ATOM 32 O O . LEU A 1 4 ? -4.842 2.441 1.113 1.00 96.29 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -6.944 4.621 2.561 1.00 95.89 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -8.043 4.761 3.603 1.00 92.01 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -8.886 5.990 3.320 1.00 88.24 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -8.921 3.517 3.615 1.00 87.12 4 A 1 ATOM 37 N N . VAL A 1 5 ? -4.060 4.494 1.553 1.00 96.86 5 A 1 ATOM 38 C CA . VAL A 1 5 ? -3.072 4.473 0.475 1.00 97.25 5 A 1 ATOM 39 C C . VAL A 1 5 ? -1.960 3.482 0.789 1.00 97.53 5 A 1 ATOM 40 O O . VAL A 1 5 ? -1.498 2.749 -0.090 1.00 97.10 5 A 1 ATOM 41 C CB . VAL A 1 5 ? -2.486 5.875 0.249 1.00 96.72 5 A 1 ATOM 42 C CG1 . VAL A 1 5 ? -1.483 5.860 -0.884 1.00 92.96 5 A 1 ATOM 43 C CG2 . VAL A 1 5 ? -3.592 6.875 -0.041 1.00 93.69 5 A 1 ATOM 44 N N . THR A 1 6 ? -1.536 3.482 2.032 1.00 97.40 6 A 1 ATOM 45 C CA . THR A 1 6 ? -0.468 2.587 2.479 1.00 97.34 6 A 1 ATOM 46 C C . THR A 1 6 ? -0.875 1.130 2.297 1.00 97.45 6 A 1 ATOM 47 O O . THR A 1 6 ? -0.056 0.291 1.926 1.00 96.93 6 A 1 ATOM 48 C CB . THR A 1 6 ? -0.132 2.851 3.948 1.00 96.67 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? 0.162 4.231 4.124 1.00 92.68 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? 1.082 2.051 4.380 1.00 90.85 6 A 1 ATOM 51 N N . GLY A 1 7 ? -2.134 0.852 2.562 1.00 97.86 7 A 1 ATOM 52 C CA . GLY A 1 7 ? -2.650 -0.500 2.412 1.00 97.76 7 A 1 ATOM 53 C C . GLY A 1 7 ? -2.505 -1.005 0.993 1.00 98.11 7 A 1 ATOM 54 O O . GLY A 1 7 ? -2.033 -2.119 0.759 1.00 97.79 7 A 1 ATOM 55 N N . LEU A 1 8 ? -2.899 -0.170 0.052 1.00 97.25 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -2.804 -0.512 -1.365 1.00 97.62 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.349 -0.594 -1.799 1.00 98.00 8 A 1 ATOM 58 O O . LEU A 1 8 ? -0.978 -1.460 -2.593 1.00 97.76 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -3.544 0.537 -2.193 1.00 97.66 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -3.833 0.091 -3.619 1.00 95.03 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -5.091 -0.765 -3.661 1.00 90.84 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -3.986 1.289 -4.535 1.00 91.56 8 A 1 ATOM 63 N N . LEU A 1 9 ? -0.544 0.310 -1.283 1.00 97.41 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 0.881 0.350 -1.604 1.00 97.25 9 A 1 ATOM 65 C C . LEU A 1 9 ? 1.565 -0.933 -1.159 1.00 97.56 9 A 1 ATOM 66 O O . LEU A 1 9 ? 2.371 -1.502 -1.898 1.00 97.44 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 1.522 1.556 -0.917 1.00 97.28 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 2.898 1.912 -1.460 1.00 94.20 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 2.775 2.795 -2.689 1.00 90.07 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 3.721 2.611 -0.395 1.00 90.93 9 A 1 ATOM 71 N N . ALA A 1 10 ? 1.241 -1.369 0.037 1.00 97.81 10 A 1 ATOM 72 C CA . ALA A 1 10 ? 1.822 -2.588 0.591 1.00 97.82 10 A 1 ATOM 73 C C . ALA A 1 10 ? 1.472 -3.800 -0.264 1.00 98.03 10 A 1 ATOM 74 O O . ALA A 1 10 ? 2.331 -4.629 -0.561 1.00 97.32 10 A 1 ATOM 75 C CB . ALA A 1 10 ? 1.328 -2.785 2.018 1.00 97.29 10 A 1 ATOM 76 N N . LEU A 1 11 ? 0.222 -3.880 -0.652 1.00 96.95 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -0.245 -4.982 -1.489 1.00 96.82 11 A 1 ATOM 78 C C . LEU A 1 11 ? 0.378 -4.910 -2.873 1.00 97.46 11 A 1 ATOM 79 O O . LEU A 1 11 ? 0.774 -5.931 -3.438 1.00 97.16 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -1.766 -4.932 -1.600 1.00 96.54 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -2.392 -6.279 -1.930 1.00 92.38 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -2.618 -7.080 -0.660 1.00 87.88 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -3.701 -6.087 -2.673 1.00 89.13 11 A 1 ATOM 84 N N . SER A 1 12 ? 0.458 -3.709 -3.407 1.00 97.54 12 A 1 ATOM 85 C CA . SER A 1 12 ? 1.027 -3.478 -4.729 1.00 97.65 12 A 1 ATOM 86 C C . SER A 1 12 ? 2.485 -3.909 -4.772 1.00 97.91 12 A 1 ATOM 87 O O . SER A 1 12 ? 2.942 -4.485 -5.757 1.00 97.52 12 A 1 ATOM 88 C CB . SER A 1 12 ? 0.910 -2.004 -5.102 1.00 97.25 12 A 1 ATOM 89 O OG . SER A 1 12 ? 1.167 -1.811 -6.468 1.00 90.37 12 A 1 ATOM 90 N N . LEU A 1 13 ? 3.203 -3.629 -3.699 1.00 97.23 13 A 1 ATOM 91 C CA . LEU A 1 13 ? 4.615 -3.989 -3.598 1.00 97.45 13 A 1 ATOM 92 C C . LEU A 1 13 ? 4.789 -5.502 -3.655 1.00 97.81 13 A 1 ATOM 93 O O . LEU A 1 13 ? 5.652 -6.013 -4.369 1.00 97.20 13 A 1 ATOM 94 C CB . LEU A 1 13 ? 5.191 -3.442 -2.292 1.00 97.24 13 A 1 ATOM 95 C CG . LEU A 1 13 ? 6.705 -3.268 -2.313 1.00 94.37 13 A 1 ATOM 96 C CD1 . LEU A 1 13 ? 7.073 -1.958 -2.993 1.00 90.40 13 A 1 ATOM 97 C CD2 . LEU A 1 13 ? 7.267 -3.299 -0.906 1.00 90.38 13 A 1 ATOM 98 N N . PHE A 1 14 ? 3.975 -6.198 -2.900 1.00 95.60 14 A 1 ATOM 99 C CA . PHE A 1 14 ? 4.019 -7.655 -2.863 1.00 96.34 14 A 1 ATOM 100 C C . PHE A 1 14 ? 3.581 -8.248 -4.193 1.00 97.35 14 A 1 ATOM 101 O O . PHE A 1 14 ? 4.160 -9.229 -4.663 1.00 96.73 14 A 1 ATOM 102 C CB . PHE A 1 14 ? 3.120 -8.164 -1.740 1.00 96.00 14 A 1 ATOM 103 C CG . PHE A 1 14 ? 3.104 -9.667 -1.632 1.00 93.98 14 A 1 ATOM 104 C CD1 . PHE A 1 14 ? 4.175 -10.337 -1.067 1.00 91.18 14 A 1 ATOM 105 C CD2 . PHE A 1 14 ? 2.020 -10.399 -2.091 1.00 91.40 14 A 1 ATOM 106 C CE1 . PHE A 1 14 ? 4.164 -11.722 -0.963 1.00 91.06 14 A 1 ATOM 107 C CE2 . PHE A 1 14 ? 2.008 -11.786 -1.991 1.00 90.85 14 A 1 ATOM 108 C CZ . PHE A 1 14 ? 3.083 -12.443 -1.427 1.00 91.60 14 A 1 ATOM 109 N N . LEU A 1 15 ? 2.566 -7.651 -4.772 1.00 96.11 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 2.036 -8.113 -6.053 1.00 96.35 15 A 1 ATOM 111 C C . LEU A 1 15 ? 3.059 -7.931 -7.162 1.00 96.99 15 A 1 ATOM 112 O O . LEU A 1 15 ? 3.242 -8.818 -8.000 1.00 96.50 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 0.757 -7.347 -6.384 1.00 95.70 15 A 1 ATOM 114 C CG . LEU A 1 15 ? -0.089 -8.026 -7.455 1.00 92.44 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? -1.536 -8.101 -7.018 1.00 87.88 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 0.017 -7.284 -8.770 1.00 87.83 15 A 1 ATOM 117 N N . ALA A 1 16 ? 3.713 -6.784 -7.167 1.00 97.09 16 A 1 ATOM 118 C CA . ALA A 1 16 ? 4.720 -6.478 -8.176 1.00 97.06 16 A 1 ATOM 119 C C . ALA A 1 16 ? 5.937 -7.380 -8.032 1.00 97.46 16 A 1 ATOM 120 O O . ALA A 1 16 ? 6.523 -7.810 -9.027 1.00 96.81 16 A 1 ATOM 121 C CB . ALA A 1 16 ? 5.132 -5.015 -8.068 1.00 96.02 16 A 1 ATOM 122 N N . ALA A 1 17 ? 6.325 -7.645 -6.793 1.00 95.03 17 A 1 ATOM 123 C CA . ALA A 1 17 ? 7.479 -8.488 -6.491 1.00 93.71 17 A 1 ATOM 124 C C . ALA A 1 17 ? 7.253 -9.902 -7.011 1.00 92.21 17 A 1 ATOM 125 O O . ALA A 1 17 ? 8.143 -10.441 -7.693 1.00 89.57 17 A 1 ATOM 126 C CB . ALA A 1 17 ? 7.741 -8.497 -4.990 1.00 89.79 17 A 1 ATOM 127 O OXT . ALA A 1 17 ? 6.200 -10.456 -6.740 1.00 80.90 17 A 1 #