# 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_spkb25799 # _entry.id spkb25799 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 VAL 2 1 n ILE 3 1 n CYS 4 1 n ASN 5 1 n ALA 6 1 n ILE 7 1 n ILE 8 1 n VAL 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n PHE 14 1 n ASN 15 1 n THR 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 @ 2025-07-06 02:35:17)" _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 95.85 _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 88.80 1 1 A VAL 2 2 93.98 1 2 A ILE 3 2 96.59 1 3 A CYS 4 2 97.34 1 4 A ASN 5 2 96.60 1 5 A ALA 6 2 98.36 1 6 A ILE 7 2 97.48 1 7 A ILE 8 2 97.49 1 8 A VAL 9 2 97.95 1 9 A LEU 10 2 96.97 1 10 A LEU 11 2 96.99 1 11 A LEU 12 2 96.50 1 12 A ALA 13 2 98.28 1 13 A PHE 14 2 95.17 1 14 A ASN 15 2 95.25 1 15 A THR 16 2 95.99 1 16 A LEU 17 2 94.89 1 17 A ALA 18 2 92.42 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 VAL . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ILE . 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 LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n THR . 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 ? -8.856 5.795 7.641 1.00 92.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.449 5.714 8.072 1.00 93.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.512 5.940 6.886 1.00 93.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.365 5.065 6.031 1.00 91.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.142 4.350 8.694 1.00 90.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.838 4.137 10.031 1.00 86.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.225 5.254 11.287 1.00 84.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.103 4.644 12.718 1.00 76.48 1 A 1 ATOM 9 N N . VAL A 1 2 ? -5.918 7.113 6.844 1.00 93.45 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -5.024 7.489 5.744 1.00 96.17 2 A 1 ATOM 11 C C . VAL A 1 2 ? -3.716 6.701 5.796 1.00 97.54 2 A 1 ATOM 12 O O . VAL A 1 2 ? -3.231 6.209 4.773 1.00 97.28 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -4.727 9.001 5.767 1.00 94.48 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -3.841 9.389 4.589 1.00 89.09 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -6.013 9.811 5.745 1.00 89.86 2 A 1 ATOM 16 N N . ILE A 1 3 ? -3.161 6.582 7.003 1.00 97.28 3 A 1 ATOM 17 C CA . ILE A 1 3 ? -1.890 5.892 7.209 1.00 97.68 3 A 1 ATOM 18 C C . ILE A 1 3 ? -2.019 4.405 6.883 1.00 98.01 3 A 1 ATOM 19 O O . ILE A 1 3 ? -1.237 3.861 6.098 1.00 97.99 3 A 1 ATOM 20 C CB . ILE A 1 3 ? -1.377 6.086 8.650 1.00 97.55 3 A 1 ATOM 21 C CG1 . ILE A 1 3 ? -1.239 7.579 8.984 1.00 96.00 3 A 1 ATOM 22 C CG2 . ILE A 1 3 ? -0.038 5.371 8.828 1.00 95.24 3 A 1 ATOM 23 C CD1 . ILE A 1 3 ? -1.023 7.845 10.468 1.00 93.01 3 A 1 ATOM 24 N N . CYS A 1 4 ? -3.012 3.754 7.465 1.00 97.49 4 A 1 ATOM 25 C CA . CYS A 1 4 ? -3.240 2.329 7.254 1.00 97.94 4 A 1 ATOM 26 C C . CYS A 1 4 ? -3.582 2.030 5.799 1.00 98.23 4 A 1 ATOM 27 O O . CYS A 1 4 ? -3.091 1.063 5.221 1.00 98.06 4 A 1 ATOM 28 C CB . CYS A 1 4 ? -4.358 1.838 8.174 1.00 97.38 4 A 1 ATOM 29 S SG . CYS A 1 4 ? -4.004 2.141 9.916 1.00 94.93 4 A 1 ATOM 30 N N . ASN A 1 5 ? -4.408 2.886 5.210 1.00 97.87 5 A 1 ATOM 31 C CA . ASN A 1 5 ? -4.819 2.731 3.821 1.00 98.09 5 A 1 ATOM 32 C C . ASN A 1 5 ? -3.631 2.890 2.878 1.00 98.32 5 A 1 ATOM 33 O O . ASN A 1 5 ? -3.506 2.156 1.901 1.00 98.23 5 A 1 ATOM 34 C CB . ASN A 1 5 ? -5.917 3.743 3.479 1.00 97.80 5 A 1 ATOM 35 C CG . ASN A 1 5 ? -6.767 3.284 2.322 1.00 95.79 5 A 1 ATOM 36 O OD1 . ASN A 1 5 ? -6.569 3.701 1.190 1.00 93.35 5 A 1 ATOM 37 N ND2 . ASN A 1 5 ? -7.731 2.428 2.589 1.00 93.34 5 A 1 ATOM 38 N N . ALA A 1 6 ? -2.754 3.826 3.193 1.00 98.23 6 A 1 ATOM 39 C CA . ALA A 1 6 ? -1.551 4.060 2.399 1.00 98.40 6 A 1 ATOM 40 C C . ALA A 1 6 ? -0.643 2.831 2.394 1.00 98.58 6 A 1 ATOM 41 O O . ALA A 1 6 ? -0.082 2.471 1.358 1.00 98.37 6 A 1 ATOM 42 C CB . ALA A 1 6 ? -0.801 5.275 2.935 1.00 98.21 6 A 1 ATOM 43 N N . ILE A 1 7 ? -0.524 2.184 3.544 1.00 98.26 7 A 1 ATOM 44 C CA . ILE A 1 7 ? 0.279 0.972 3.683 1.00 98.22 7 A 1 ATOM 45 C C . ILE A 1 7 ? -0.311 -0.158 2.845 1.00 98.36 7 A 1 ATOM 46 O O . ILE A 1 7 ? 0.412 -0.856 2.127 1.00 98.28 7 A 1 ATOM 47 C CB . ILE A 1 7 ? 0.393 0.544 5.161 1.00 98.19 7 A 1 ATOM 48 C CG1 . ILE A 1 7 ? 1.132 1.619 5.970 1.00 97.21 7 A 1 ATOM 49 C CG2 . ILE A 1 7 ? 1.119 -0.796 5.280 1.00 96.95 7 A 1 ATOM 50 C CD1 . ILE A 1 7 ? 1.023 1.428 7.474 1.00 94.36 7 A 1 ATOM 51 N N . ILE A 1 8 ? -1.620 -0.323 2.920 1.00 98.35 8 A 1 ATOM 52 C CA . ILE A 1 8 ? -2.318 -1.360 2.165 1.00 98.24 8 A 1 ATOM 53 C C . ILE A 1 8 ? -2.166 -1.135 0.663 1.00 98.37 8 A 1 ATOM 54 O O . ILE A 1 8 ? -1.892 -2.070 -0.090 1.00 98.34 8 A 1 ATOM 55 C CB . ILE A 1 8 ? -3.808 -1.419 2.559 1.00 98.13 8 A 1 ATOM 56 C CG1 . ILE A 1 8 ? -3.974 -1.825 4.033 1.00 97.15 8 A 1 ATOM 57 C CG2 . ILE A 1 8 ? -4.576 -2.387 1.654 1.00 96.94 8 A 1 ATOM 58 C CD1 . ILE A 1 8 ? -3.409 -3.207 4.362 1.00 94.37 8 A 1 ATOM 59 N N . VAL A 1 9 ? -2.335 0.105 0.235 1.00 98.45 9 A 1 ATOM 60 C CA . VAL A 1 9 ? -2.189 0.464 -1.176 1.00 98.35 9 A 1 ATOM 61 C C . VAL A 1 9 ? -0.761 0.209 -1.647 1.00 98.47 9 A 1 ATOM 62 O O . VAL A 1 9 ? -0.543 -0.293 -2.752 1.00 98.39 9 A 1 ATOM 63 C CB . VAL A 1 9 ? -2.585 1.933 -1.424 1.00 98.08 9 A 1 ATOM 64 C CG1 . VAL A 1 9 ? -2.268 2.362 -2.855 1.00 97.03 9 A 1 ATOM 65 C CG2 . VAL A 1 9 ? -4.072 2.125 -1.160 1.00 96.91 9 A 1 ATOM 66 N N . LEU A 1 10 ? 0.199 0.538 -0.799 1.00 98.19 10 A 1 ATOM 67 C CA . LEU A 1 10 ? 1.608 0.326 -1.111 1.00 98.07 10 A 1 ATOM 68 C C . LEU A 1 10 ? 1.914 -1.155 -1.290 1.00 98.23 10 A 1 ATOM 69 O O . LEU A 1 10 ? 2.564 -1.546 -2.262 1.00 98.13 10 A 1 ATOM 70 C CB . LEU A 1 10 ? 2.483 0.917 0.000 1.00 97.94 10 A 1 ATOM 71 C CG . LEU A 1 10 ? 3.990 0.841 -0.253 1.00 95.76 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? 4.384 1.714 -1.437 1.00 94.32 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? 4.748 1.266 0.991 1.00 95.08 10 A 1 ATOM 74 N N . LEU A 1 11 ? 1.430 -1.975 -0.369 1.00 98.26 11 A 1 ATOM 75 C CA . LEU A 1 11 ? 1.622 -3.418 -0.428 1.00 98.05 11 A 1 ATOM 76 C C . LEU A 1 11 ? 0.928 -4.018 -1.639 1.00 98.18 11 A 1 ATOM 77 O O . LEU A 1 11 ? 1.487 -4.885 -2.316 1.00 98.03 11 A 1 ATOM 78 C CB . LEU A 1 11 ? 1.091 -4.072 0.849 1.00 97.84 11 A 1 ATOM 79 C CG . LEU A 1 11 ? 1.901 -3.769 2.105 1.00 95.92 11 A 1 ATOM 80 C CD1 . LEU A 1 11 ? 1.156 -4.240 3.342 1.00 94.62 11 A 1 ATOM 81 C CD2 . LEU A 1 11 ? 3.272 -4.435 2.040 1.00 95.01 11 A 1 ATOM 82 N N . LEU A 1 12 ? -0.270 -3.542 -1.916 1.00 98.30 12 A 1 ATOM 83 C CA . LEU A 1 12 ? -1.049 -4.005 -3.056 1.00 98.07 12 A 1 ATOM 84 C C . LEU A 1 12 ? -0.358 -3.649 -4.367 1.00 98.24 12 A 1 ATOM 85 O O . LEU A 1 12 ? -0.263 -4.478 -5.272 1.00 98.08 12 A 1 ATOM 86 C CB . LEU A 1 12 ? -2.457 -3.400 -3.009 1.00 97.88 12 A 1 ATOM 87 C CG . LEU A 1 12 ? -3.403 -3.875 -4.110 1.00 94.71 12 A 1 ATOM 88 C CD1 . LEU A 1 12 ? -3.691 -5.365 -3.982 1.00 93.00 12 A 1 ATOM 89 C CD2 . LEU A 1 12 ? -4.702 -3.087 -4.066 1.00 93.69 12 A 1 ATOM 90 N N . ALA A 1 13 ? 0.130 -2.413 -4.464 1.00 98.44 13 A 1 ATOM 91 C CA . ALA A 1 13 ? 0.827 -1.946 -5.655 1.00 98.33 13 A 1 ATOM 92 C C . ALA A 1 13 ? 2.104 -2.745 -5.890 1.00 98.42 13 A 1 ATOM 93 O O . ALA A 1 13 ? 2.388 -3.158 -7.014 1.00 98.13 13 A 1 ATOM 94 C CB . ALA A 1 13 ? 1.154 -0.463 -5.522 1.00 98.07 13 A 1 ATOM 95 N N . PHE A 1 14 ? 2.858 -2.981 -4.820 1.00 98.09 14 A 1 ATOM 96 C CA . PHE A 1 14 ? 4.089 -3.751 -4.897 1.00 97.87 14 A 1 ATOM 97 C C . PHE A 1 14 ? 3.809 -5.194 -5.291 1.00 98.07 14 A 1 ATOM 98 O O . PHE A 1 14 ? 4.532 -5.770 -6.102 1.00 97.74 14 A 1 ATOM 99 C CB . PHE A 1 14 ? 4.821 -3.692 -3.557 1.00 97.45 14 A 1 ATOM 100 C CG . PHE A 1 14 ? 6.251 -4.148 -3.652 1.00 95.38 14 A 1 ATOM 101 C CD1 . PHE A 1 14 ? 7.230 -3.285 -4.118 1.00 92.54 14 A 1 ATOM 102 C CD2 . PHE A 1 14 ? 6.603 -5.434 -3.275 1.00 93.41 14 A 1 ATOM 103 C CE1 . PHE A 1 14 ? 8.549 -3.695 -4.212 1.00 92.21 14 A 1 ATOM 104 C CE2 . PHE A 1 14 ? 7.924 -5.855 -3.371 1.00 91.92 14 A 1 ATOM 105 C CZ . PHE A 1 14 ? 8.896 -4.983 -3.838 1.00 92.16 14 A 1 ATOM 106 N N . ASN A 1 15 ? 2.744 -5.761 -4.737 1.00 97.79 15 A 1 ATOM 107 C CA . ASN A 1 15 ? 2.336 -7.128 -5.040 1.00 97.69 15 A 1 ATOM 108 C C . ASN A 1 15 ? 1.872 -7.263 -6.485 1.00 97.91 15 A 1 ATOM 109 O O . ASN A 1 15 ? 2.131 -8.274 -7.133 1.00 97.48 15 A 1 ATOM 110 C CB . ASN A 1 15 ? 1.223 -7.571 -4.087 1.00 97.13 15 A 1 ATOM 111 C CG . ASN A 1 15 ? 1.013 -9.061 -4.117 1.00 94.74 15 A 1 ATOM 112 O OD1 . ASN A 1 15 ? 0.127 -9.565 -4.791 1.00 90.01 15 A 1 ATOM 113 N ND2 . ASN A 1 15 ? 1.821 -9.790 -3.376 1.00 89.23 15 A 1 ATOM 114 N N . THR A 1 16 ? 1.207 -6.240 -6.983 1.00 97.57 16 A 1 ATOM 115 C CA . THR A 1 16 ? 0.719 -6.224 -8.362 1.00 97.29 16 A 1 ATOM 116 C C . THR A 1 16 ? 1.873 -6.098 -9.351 1.00 97.28 16 A 1 ATOM 117 O O . THR A 1 16 ? 1.867 -6.725 -10.410 1.00 96.43 16 A 1 ATOM 118 C CB . THR A 1 16 ? -0.273 -5.070 -8.582 1.00 96.53 16 A 1 ATOM 119 O OG1 . THR A 1 16 ? -1.341 -5.168 -7.644 1.00 94.01 16 A 1 ATOM 120 C CG2 . THR A 1 16 ? -0.856 -5.105 -9.985 1.00 92.80 16 A 1 ATOM 121 N N . LEU A 1 17 ? 2.852 -5.279 -9.001 1.00 97.52 17 A 1 ATOM 122 C CA . LEU A 1 17 ? 4.017 -5.061 -9.848 1.00 97.13 17 A 1 ATOM 123 C C . LEU A 1 17 ? 4.986 -6.235 -9.791 1.00 97.07 17 A 1 ATOM 124 O O . LEU A 1 17 ? 5.627 -6.564 -10.792 1.00 96.44 17 A 1 ATOM 125 C CB . LEU A 1 17 ? 4.734 -3.773 -9.432 1.00 96.69 17 A 1 ATOM 126 C CG . LEU A 1 17 ? 3.959 -2.484 -9.700 1.00 94.63 17 A 1 ATOM 127 C CD1 . LEU A 1 17 ? 4.629 -1.310 -9.005 1.00 90.75 17 A 1 ATOM 128 C CD2 . LEU A 1 17 ? 3.858 -2.216 -11.195 1.00 88.92 17 A 1 ATOM 129 N N . ALA A 1 18 ? 5.097 -6.847 -8.626 1.00 96.53 18 A 1 ATOM 130 C CA . ALA A 1 18 ? 5.992 -7.980 -8.405 1.00 94.97 18 A 1 ATOM 131 C C . ALA A 1 18 ? 5.453 -9.236 -9.083 1.00 93.39 18 A 1 ATOM 132 O O . ALA A 1 18 ? 6.219 -9.908 -9.799 1.00 91.61 18 A 1 ATOM 133 C CB . ALA A 1 18 ? 6.193 -8.205 -6.907 1.00 92.24 18 A 1 ATOM 134 O OXT . ALA A 1 18 ? 4.284 -9.564 -8.892 1.00 85.78 18 A 1 #