# 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_spkb28564 # _entry.id spkb28564 # 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 ARG 2 1 n PHE 3 1 n THR 4 1 n ALA 5 1 n LEU 6 1 n ALA 7 1 n THR 8 1 n ALA 9 1 n ILE 10 1 n LEU 11 1 n PRO 12 1 n LEU 13 1 n ALA 14 1 n CYS 15 1 n ASN 16 1 n VAL 17 1 n LEU 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 @ 2025-07-11 18:07:01)" _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 91.54 _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 84.78 1 1 A ARG 2 2 80.87 1 2 A PHE 3 2 86.02 1 3 A THR 4 2 91.13 1 4 A ALA 5 2 94.19 1 5 A LEU 6 2 90.21 1 6 A ALA 7 2 94.58 1 7 A THR 8 2 93.40 1 8 A ALA 9 2 95.58 1 9 A ILE 10 2 93.08 1 10 A LEU 11 2 93.04 1 11 A PRO 12 2 96.79 1 12 A LEU 13 2 93.11 1 13 A ALA 14 2 97.22 1 14 A CYS 15 2 96.29 1 15 A ASN 16 2 93.94 1 16 A VAL 17 2 95.41 1 17 A LEU 18 2 93.30 1 18 A ALA 19 2 90.33 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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 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 ? -11.444 9.880 4.729 1.00 88.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.664 8.689 4.359 1.00 90.85 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.311 7.860 5.589 1.00 92.88 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.322 8.357 6.708 1.00 90.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.370 9.106 3.674 1.00 86.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.638 9.783 2.340 1.00 82.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.158 8.606 1.101 1.00 78.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.332 9.679 -0.317 1.00 67.59 1 A 1 ATOM 9 N N . ARG A 1 2 ? -10.003 6.598 5.377 1.00 88.61 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.645 5.704 6.481 1.00 90.33 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.159 5.370 6.430 1.00 92.20 2 A 1 ATOM 12 O O . ARG A 1 2 ? -7.541 5.439 5.375 1.00 90.47 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -10.457 4.419 6.384 1.00 87.25 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -11.952 4.675 6.361 1.00 81.46 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.476 4.977 7.766 1.00 80.63 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -13.909 5.217 7.748 1.00 74.02 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -14.685 5.190 8.821 1.00 72.93 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -14.169 4.942 10.012 1.00 65.28 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -15.978 5.410 8.709 1.00 66.43 2 A 1 ATOM 20 N N . PHE A 1 3 ? -7.610 4.985 7.564 1.00 85.78 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -6.205 4.601 7.625 1.00 88.64 3 A 1 ATOM 22 C C . PHE A 1 3 ? -5.972 3.331 6.826 1.00 92.50 3 A 1 ATOM 23 O O . PHE A 1 3 ? -4.858 3.061 6.373 1.00 91.64 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -5.798 4.378 9.078 1.00 87.32 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -5.502 5.675 9.776 1.00 85.80 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -4.281 6.300 9.586 1.00 83.73 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -6.437 6.264 10.609 1.00 83.88 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -3.999 7.497 10.223 1.00 82.51 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -6.162 7.463 11.247 1.00 82.36 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -4.937 8.083 11.055 1.00 82.01 3 A 1 ATOM 31 N N . THR A 1 4 ? -7.031 2.560 6.662 1.00 92.93 4 A 1 ATOM 32 C CA . THR A 1 4 ? -6.949 1.319 5.893 1.00 92.93 4 A 1 ATOM 33 C C . THR A 1 4 ? -6.507 1.619 4.466 1.00 93.88 4 A 1 ATOM 34 O O . THR A 1 4 ? -5.679 0.912 3.895 1.00 94.02 4 A 1 ATOM 35 C CB . THR A 1 4 ? -8.308 0.625 5.853 1.00 92.75 4 A 1 ATOM 36 O OG1 . THR A 1 4 ? -8.831 0.538 7.171 1.00 86.57 4 A 1 ATOM 37 C CG2 . THR A 1 4 ? -8.166 -0.771 5.267 1.00 84.80 4 A 1 ATOM 38 N N . ALA A 1 5 ? -7.063 2.657 3.895 1.00 93.80 5 A 1 ATOM 39 C CA . ALA A 1 5 ? -6.708 3.054 2.536 1.00 94.08 5 A 1 ATOM 40 C C . ALA A 1 5 ? -5.265 3.543 2.489 1.00 95.32 5 A 1 ATOM 41 O O . ALA A 1 5 ? -4.530 3.258 1.545 1.00 94.69 5 A 1 ATOM 42 C CB . ALA A 1 5 ? -7.644 4.151 2.059 1.00 93.08 5 A 1 ATOM 43 N N . LEU A 1 6 ? -4.866 4.265 3.520 1.00 92.60 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -3.500 4.772 3.602 1.00 92.36 6 A 1 ATOM 45 C C . LEU A 1 6 ? -2.510 3.627 3.717 1.00 94.80 6 A 1 ATOM 46 O O . LEU A 1 6 ? -1.478 3.621 3.049 1.00 94.79 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -3.370 5.691 4.809 1.00 91.70 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -3.764 7.125 4.502 1.00 86.74 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -3.987 7.891 5.793 1.00 83.76 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -2.682 7.793 3.672 1.00 84.94 6 A 1 ATOM 51 N N . ALA A 1 7 ? -2.832 2.678 4.568 1.00 94.00 7 A 1 ATOM 52 C CA . ALA A 1 7 ? -1.962 1.522 4.760 1.00 94.25 7 A 1 ATOM 53 C C . ALA A 1 7 ? -1.803 0.753 3.459 1.00 95.79 7 A 1 ATOM 54 O O . ALA A 1 7 ? -0.713 0.289 3.130 1.00 95.58 7 A 1 ATOM 55 C CB . ALA A 1 7 ? -2.548 0.615 5.826 1.00 93.26 7 A 1 ATOM 56 N N . THR A 1 8 ? -2.890 0.622 2.734 1.00 94.62 8 A 1 ATOM 57 C CA . THR A 1 8 ? -2.871 -0.099 1.461 1.00 94.58 8 A 1 ATOM 58 C C . THR A 1 8 ? -1.976 0.619 0.460 1.00 95.80 8 A 1 ATOM 59 O O . THR A 1 8 ? -1.292 -0.018 -0.341 1.00 95.75 8 A 1 ATOM 60 C CB . THR A 1 8 ? -4.285 -0.198 0.890 1.00 94.49 8 A 1 ATOM 61 O OG1 . THR A 1 8 ? -5.131 -0.827 1.847 1.00 89.83 8 A 1 ATOM 62 C CG2 . THR A 1 8 ? -4.288 -1.029 -0.388 1.00 88.75 8 A 1 ATOM 63 N N . ALA A 1 9 ? -1.987 1.926 0.502 1.00 95.54 9 A 1 ATOM 64 C CA . ALA A 1 9 ? -1.169 2.722 -0.412 1.00 95.45 9 A 1 ATOM 65 C C . ALA A 1 9 ? 0.291 2.742 0.034 1.00 96.54 9 A 1 ATOM 66 O O . ALA A 1 9 ? 1.200 2.801 -0.793 1.00 95.61 9 A 1 ATOM 67 C CB . ALA A 1 9 ? -1.711 4.141 -0.482 1.00 94.74 9 A 1 ATOM 68 N N . ILE A 1 10 ? 0.506 2.686 1.331 1.00 95.69 10 A 1 ATOM 69 C CA . ILE A 1 10 ? 1.860 2.712 1.878 1.00 95.13 10 A 1 ATOM 70 C C . ILE A 1 10 ? 2.597 1.412 1.593 1.00 96.05 10 A 1 ATOM 71 O O . ILE A 1 10 ? 3.805 1.412 1.350 1.00 95.26 10 A 1 ATOM 72 C CB . ILE A 1 10 ? 1.824 2.958 3.392 1.00 94.61 10 A 1 ATOM 73 C CG1 . ILE A 1 10 ? 1.270 4.351 3.687 1.00 91.26 10 A 1 ATOM 74 C CG2 . ILE A 1 10 ? 3.233 2.837 3.976 1.00 91.00 10 A 1 ATOM 75 C CD1 . ILE A 1 10 ? 0.844 4.501 5.131 1.00 85.61 10 A 1 ATOM 76 N N . LEU A 1 11 ? 1.866 0.315 1.628 1.00 95.44 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 2.468 -0.997 1.388 1.00 94.82 11 A 1 ATOM 78 C C . LEU A 1 11 ? 3.244 -1.027 0.071 1.00 95.94 11 A 1 ATOM 79 O O . LEU A 1 11 ? 4.433 -1.355 0.060 1.00 95.65 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 1.376 -2.070 1.393 1.00 94.44 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 1.915 -3.483 1.205 1.00 90.96 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? 2.860 -3.844 2.342 1.00 88.43 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 0.760 -4.467 1.148 1.00 88.64 11 A 1 ATOM 84 N N . PRO A 1 12 ? 2.603 -0.716 -1.046 1.00 97.30 12 A 1 ATOM 85 C CA . PRO A 1 12 ? 3.293 -0.717 -2.341 1.00 97.09 12 A 1 ATOM 86 C C . PRO A 1 12 ? 4.391 0.331 -2.394 1.00 97.48 12 A 1 ATOM 87 O O . PRO A 1 12 ? 5.418 0.131 -3.046 1.00 96.90 12 A 1 ATOM 88 C CB . PRO A 1 12 ? 2.182 -0.400 -3.348 1.00 96.31 12 A 1 ATOM 89 C CG . PRO A 1 12 ? 1.125 0.267 -2.543 1.00 95.50 12 A 1 ATOM 90 C CD . PRO A 1 12 ? 1.205 -0.349 -1.169 1.00 96.97 12 A 1 ATOM 91 N N . LEU A 1 13 ? 4.198 1.423 -1.701 1.00 95.22 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 5.194 2.487 -1.661 1.00 94.98 13 A 1 ATOM 93 C C . LEU A 1 13 ? 6.465 1.987 -0.994 1.00 96.12 13 A 1 ATOM 94 O O . LEU A 1 13 ? 7.574 2.278 -1.438 1.00 95.48 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 4.638 3.697 -0.900 1.00 94.92 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 4.232 4.854 -1.805 1.00 91.03 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 5.454 5.432 -2.490 1.00 88.19 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 3.215 4.394 -2.825 1.00 88.94 13 A 1 ATOM 99 N N . ALA A 1 14 ? 6.294 1.236 0.082 1.00 97.31 14 A 1 ATOM 100 C CA . ALA A 1 14 ? 7.436 0.684 0.806 1.00 97.23 14 A 1 ATOM 101 C C . ALA A 1 14 ? 8.231 -0.250 -0.095 1.00 97.62 14 A 1 ATOM 102 O O . ALA A 1 14 ? 9.461 -0.254 -0.073 1.00 97.12 14 A 1 ATOM 103 C CB . ALA A 1 14 ? 6.948 -0.071 2.038 1.00 96.83 14 A 1 ATOM 104 N N . CYS A 1 15 ? 7.532 -1.042 -0.891 1.00 97.47 15 A 1 ATOM 105 C CA . CYS A 1 15 ? 8.187 -1.966 -1.813 1.00 97.28 15 A 1 ATOM 106 C C . CYS A 1 15 ? 9.008 -1.192 -2.838 1.00 97.47 15 A 1 ATOM 107 O O . CYS A 1 15 ? 10.104 -1.598 -3.207 1.00 96.60 15 A 1 ATOM 108 C CB . CYS A 1 15 ? 7.136 -2.821 -2.520 1.00 96.40 15 A 1 ATOM 109 S SG . CYS A 1 15 ? 6.346 -3.980 -1.386 1.00 92.50 15 A 1 ATOM 110 N N . ASN A 1 16 ? 8.463 -0.086 -3.291 1.00 96.11 16 A 1 ATOM 111 C CA . ASN A 1 16 ? 9.153 0.751 -4.269 1.00 96.46 16 A 1 ATOM 112 C C . ASN A 1 16 ? 10.418 1.342 -3.667 1.00 97.27 16 A 1 ATOM 113 O O . ASN A 1 16 ? 11.431 1.479 -4.351 1.00 97.00 16 A 1 ATOM 114 C CB . ASN A 1 16 ? 8.230 1.876 -4.729 1.00 95.92 16 A 1 ATOM 115 C CG . ASN A 1 16 ? 7.329 1.413 -5.853 1.00 92.77 16 A 1 ATOM 116 O OD1 . ASN A 1 16 ? 6.740 0.351 -5.792 1.00 88.36 16 A 1 ATOM 117 N ND2 . ASN A 1 16 ? 7.216 2.213 -6.899 1.00 87.63 16 A 1 ATOM 118 N N . VAL A 1 17 ? 10.367 1.678 -2.396 1.00 96.69 17 A 1 ATOM 119 C CA . VAL A 1 17 ? 11.522 2.245 -1.701 1.00 96.70 17 A 1 ATOM 120 C C . VAL A 1 17 ? 12.656 1.231 -1.645 1.00 97.31 17 A 1 ATOM 121 O O . VAL A 1 17 ? 13.829 1.581 -1.785 1.00 96.59 17 A 1 ATOM 122 C CB . VAL A 1 17 ? 11.143 2.668 -0.272 1.00 95.95 17 A 1 ATOM 123 C CG1 . VAL A 1 17 ? 12.372 3.154 0.484 1.00 92.38 17 A 1 ATOM 124 C CG2 . VAL A 1 17 ? 10.094 3.765 -0.319 1.00 92.28 17 A 1 ATOM 125 N N . LEU A 1 18 ? 12.302 -0.024 -1.429 1.00 96.27 18 A 1 ATOM 126 C CA . LEU A 1 18 ? 13.298 -1.087 -1.349 1.00 95.84 18 A 1 ATOM 127 C C . LEU A 1 18 ? 13.966 -1.288 -2.700 1.00 96.44 18 A 1 ATOM 128 O O . LEU A 1 18 ? 15.169 -1.548 -2.773 1.00 95.82 18 A 1 ATOM 129 C CB . LEU A 1 18 ? 12.627 -2.388 -0.906 1.00 95.47 18 A 1 ATOM 130 C CG . LEU A 1 18 ? 12.215 -2.384 0.565 1.00 92.75 18 A 1 ATOM 131 C CD1 . LEU A 1 18 ? 11.256 -3.525 0.858 1.00 87.78 18 A 1 ATOM 132 C CD2 . LEU A 1 18 ? 13.455 -2.509 1.448 1.00 86.05 18 A 1 ATOM 133 N N . ALA A 1 19 ? 13.187 -1.185 -3.744 1.00 94.78 19 A 1 ATOM 134 C CA . ALA A 1 19 ? 13.687 -1.348 -5.109 1.00 93.28 19 A 1 ATOM 135 C C . ALA A 1 19 ? 14.566 -0.167 -5.483 1.00 91.63 19 A 1 ATOM 136 O O . ALA A 1 19 ? 15.665 -0.386 -6.016 1.00 88.81 19 A 1 ATOM 137 C CB . ALA A 1 19 ? 12.521 -1.482 -6.076 1.00 90.49 19 A 1 ATOM 138 O OXT . ALA A 1 19 ? 14.123 0.968 -5.270 1.00 82.96 19 A 1 #