# 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_spkb12843 # _entry.id spkb12843 # 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 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" "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 ALA 4 1 n GLY 5 1 n LEU 6 1 n CYS 7 1 n ALA 8 1 n LEU 9 1 n PHE 10 1 n ALA 11 1 n CYS 12 1 n CYS 13 1 n TRP 14 1 n GLY 15 1 n PRO 16 1 n ALA 17 1 n ALA 18 1 n VAL 19 1 n LEU 20 1 n ALA 21 # _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 @ 2025-07-07 21:23:24)" _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 87.92 _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 76.42 1 1 A ALA 2 2 86.10 1 2 A LEU 3 2 86.31 1 3 A ALA 4 2 91.72 1 4 A GLY 5 2 92.55 1 5 A LEU 6 2 89.06 1 6 A CYS 7 2 90.03 1 7 A ALA 8 2 92.35 1 8 A LEU 9 2 89.57 1 9 A PHE 10 2 88.48 1 10 A ALA 11 2 91.48 1 11 A CYS 12 2 89.82 1 12 A CYS 13 2 89.62 1 13 A TRP 14 2 87.47 1 14 A GLY 15 2 90.57 1 15 A PRO 16 2 90.32 1 16 A ALA 17 2 90.80 1 17 A ALA 18 2 89.92 1 18 A VAL 19 2 87.40 1 19 A LEU 20 2 86.12 1 20 A ALA 21 2 78.87 1 21 # _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 ALA . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -16.784 3.927 5.657 1.00 80.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.372 4.280 5.913 1.00 81.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.489 3.036 5.825 1.00 82.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.172 2.418 6.835 1.00 78.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.238 4.896 7.302 1.00 77.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.937 6.252 7.371 1.00 73.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.702 6.084 7.616 1.00 72.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.150 7.800 7.808 1.00 63.27 1 A 1 ATOM 9 N N . ALA A 1 2 ? -14.108 2.675 4.618 1.00 82.60 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -13.259 1.502 4.391 1.00 86.98 2 A 1 ATOM 11 C C . ALA A 1 2 ? -11.920 1.931 3.795 1.00 90.19 2 A 1 ATOM 12 O O . ALA A 1 2 ? -11.424 1.328 2.846 1.00 87.25 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.982 0.522 3.474 1.00 83.46 2 A 1 ATOM 14 N N . LEU A 1 3 ? -11.359 2.965 4.337 1.00 88.63 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -10.071 3.479 3.858 1.00 90.03 3 A 1 ATOM 16 C C . LEU A 1 3 ? -8.907 2.814 4.581 1.00 92.27 3 A 1 ATOM 17 O O . LEU A 1 3 ? -7.775 2.851 4.101 1.00 90.59 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -10.024 4.995 4.054 1.00 87.76 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -10.328 5.768 2.775 1.00 83.41 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -10.911 7.130 3.100 1.00 80.47 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -9.059 5.911 1.948 1.00 77.32 3 A 1 ATOM 22 N N . ALA A 1 4 ? -9.204 2.211 5.713 1.00 90.38 4 A 1 ATOM 23 C CA . ALA A 1 4 ? -8.163 1.543 6.501 1.00 92.05 4 A 1 ATOM 24 C C . ALA A 1 4 ? -7.461 0.465 5.683 1.00 93.88 4 A 1 ATOM 25 O O . ALA A 1 4 ? -6.237 0.360 5.697 1.00 92.04 4 A 1 ATOM 26 C CB . ALA A 1 4 ? -8.784 0.946 7.753 1.00 90.25 4 A 1 ATOM 27 N N . GLY A 1 5 ? -8.259 -0.328 4.961 1.00 91.76 5 A 1 ATOM 28 C CA . GLY A 1 5 ? -7.694 -1.395 4.132 1.00 92.18 5 A 1 ATOM 29 C C . GLY A 1 5 ? -6.860 -0.843 2.991 1.00 93.75 5 A 1 ATOM 30 O O . GLY A 1 5 ? -5.752 -1.309 2.731 1.00 92.52 5 A 1 ATOM 31 N N . LEU A 1 6 ? -7.407 0.150 2.315 1.00 91.32 6 A 1 ATOM 32 C CA . LEU A 1 6 ? -6.699 0.773 1.196 1.00 91.27 6 A 1 ATOM 33 C C . LEU A 1 6 ? -5.476 1.537 1.688 1.00 92.90 6 A 1 ATOM 34 O O . LEU A 1 6 ? -4.442 1.564 1.021 1.00 91.91 6 A 1 ATOM 35 C CB . LEU A 1 6 ? -7.656 1.705 0.447 1.00 90.66 6 A 1 ATOM 36 C CG . LEU A 1 6 ? -7.867 1.288 -1.003 1.00 87.07 6 A 1 ATOM 37 C CD1 . LEU A 1 6 ? -9.239 1.727 -1.488 1.00 84.25 6 A 1 ATOM 38 C CD2 . LEU A 1 6 ? -6.781 1.878 -1.882 1.00 83.10 6 A 1 ATOM 39 N N . CYS A 1 7 ? -5.593 2.146 2.843 1.00 91.13 7 A 1 ATOM 40 C CA . CYS A 1 7 ? -4.483 2.904 3.432 1.00 90.81 7 A 1 ATOM 41 C C . CYS A 1 7 ? -3.277 1.993 3.651 1.00 91.54 7 A 1 ATOM 42 O O . CYS A 1 7 ? -2.145 2.347 3.319 1.00 89.86 7 A 1 ATOM 43 C CB . CYS A 1 7 ? -4.935 3.522 4.757 1.00 89.58 7 A 1 ATOM 44 S SG . CYS A 1 7 ? -3.974 4.979 5.184 1.00 87.24 7 A 1 ATOM 45 N N . ALA A 1 8 ? -3.531 0.813 4.191 1.00 92.06 8 A 1 ATOM 46 C CA . ALA A 1 8 ? -2.460 -0.149 4.444 1.00 92.47 8 A 1 ATOM 47 C C . ALA A 1 8 ? -1.909 -0.713 3.136 1.00 93.78 8 A 1 ATOM 48 O O . ALA A 1 8 ? -0.697 -0.825 2.965 1.00 91.59 8 A 1 ATOM 49 C CB . ALA A 1 8 ? -2.986 -1.272 5.327 1.00 91.85 8 A 1 ATOM 50 N N . LEU A 1 9 ? -2.814 -1.067 2.219 1.00 90.67 9 A 1 ATOM 51 C CA . LEU A 1 9 ? -2.411 -1.615 0.921 1.00 90.71 9 A 1 ATOM 52 C C . LEU A 1 9 ? -1.633 -0.586 0.109 1.00 92.21 9 A 1 ATOM 53 O O . LEU A 1 9 ? -0.602 -0.896 -0.488 1.00 91.58 9 A 1 ATOM 54 C CB . LEU A 1 9 ? -3.654 -2.072 0.155 1.00 90.78 9 A 1 ATOM 55 C CG . LEU A 1 9 ? -3.760 -3.591 0.042 1.00 88.09 9 A 1 ATOM 56 C CD1 . LEU A 1 9 ? -5.213 -4.018 -0.112 1.00 86.67 9 A 1 ATOM 57 C CD2 . LEU A 1 9 ? -2.935 -4.089 -1.133 1.00 85.82 9 A 1 ATOM 58 N N . PHE A 1 10 ? -2.133 0.631 0.101 1.00 90.86 10 A 1 ATOM 59 C CA . PHE A 1 10 ? -1.486 1.710 -0.635 1.00 89.79 10 A 1 ATOM 60 C C . PHE A 1 10 ? -0.082 1.962 -0.093 1.00 91.10 10 A 1 ATOM 61 O O . PHE A 1 10 ? 0.880 2.068 -0.852 1.00 90.50 10 A 1 ATOM 62 C CB . PHE A 1 10 ? -2.333 2.973 -0.514 1.00 89.70 10 A 1 ATOM 63 C CG . PHE A 1 10 ? -1.967 3.996 -1.546 1.00 88.43 10 A 1 ATOM 64 C CD1 . PHE A 1 10 ? -2.266 3.790 -2.883 1.00 86.81 10 A 1 ATOM 65 C CD2 . PHE A 1 10 ? -1.324 5.167 -1.171 1.00 87.06 10 A 1 ATOM 66 C CE1 . PHE A 1 10 ? -1.927 4.739 -3.837 1.00 85.92 10 A 1 ATOM 67 C CE2 . PHE A 1 10 ? -0.985 6.115 -2.126 1.00 86.30 10 A 1 ATOM 68 C CZ . PHE A 1 10 ? -1.282 5.903 -3.460 1.00 86.81 10 A 1 ATOM 69 N N . ALA A 1 11 ? 0.033 2.044 1.207 1.00 91.96 11 A 1 ATOM 70 C CA . ALA A 1 11 ? 1.331 2.271 1.841 1.00 91.78 11 A 1 ATOM 71 C C . ALA A 1 11 ? 2.240 1.059 1.666 1.00 92.66 11 A 1 ATOM 72 O O . ALA A 1 11 ? 3.448 1.201 1.499 1.00 90.20 11 A 1 ATOM 73 C CB . ALA A 1 11 ? 1.127 2.573 3.321 1.00 90.81 11 A 1 ATOM 74 N N . CYS A 1 12 ? 1.653 -0.139 1.697 1.00 91.57 12 A 1 ATOM 75 C CA . CYS A 1 12 ? 2.410 -1.379 1.535 1.00 91.40 12 A 1 ATOM 76 C C . CYS A 1 12 ? 2.995 -1.473 0.129 1.00 92.18 12 A 1 ATOM 77 O O . CYS A 1 12 ? 4.168 -1.799 -0.043 1.00 89.19 12 A 1 ATOM 78 C CB . CYS A 1 12 ? 1.499 -2.575 1.816 1.00 89.19 12 A 1 ATOM 79 S SG . CYS A 1 12 ? 2.438 -4.090 2.089 1.00 85.41 12 A 1 ATOM 80 N N . CYS A 1 13 ? 2.157 -1.187 -0.877 1.00 90.60 13 A 1 ATOM 81 C CA . CYS A 1 13 ? 2.590 -1.249 -2.269 1.00 90.88 13 A 1 ATOM 82 C C . CYS A 1 13 ? 3.655 -0.197 -2.571 1.00 91.39 13 A 1 ATOM 83 O O . CYS A 1 13 ? 4.709 -0.505 -3.119 1.00 88.52 13 A 1 ATOM 84 C CB . CYS A 1 13 ? 1.383 -1.067 -3.196 1.00 89.29 13 A 1 ATOM 85 S SG . CYS A 1 13 ? 0.728 -2.659 -3.756 1.00 87.06 13 A 1 ATOM 86 N N . TRP A 1 14 ? 3.363 1.044 -2.210 1.00 89.90 14 A 1 ATOM 87 C CA . TRP A 1 14 ? 4.312 2.127 -2.456 1.00 89.56 14 A 1 ATOM 88 C C . TRP A 1 14 ? 5.423 2.127 -1.413 1.00 91.15 14 A 1 ATOM 89 O O . TRP A 1 14 ? 6.574 2.423 -1.729 1.00 90.34 14 A 1 ATOM 90 C CB . TRP A 1 14 ? 3.568 3.459 -2.466 1.00 88.39 14 A 1 ATOM 91 C CG . TRP A 1 14 ? 3.085 3.801 -3.835 1.00 87.80 14 A 1 ATOM 92 C CD1 . TRP A 1 14 ? 1.977 3.331 -4.448 1.00 86.46 14 A 1 ATOM 93 C CD2 . TRP A 1 14 ? 3.728 4.692 -4.780 1.00 88.58 14 A 1 ATOM 94 N NE1 . TRP A 1 14 ? 1.880 3.867 -5.715 1.00 85.37 14 A 1 ATOM 95 C CE2 . TRP A 1 14 ? 2.938 4.706 -5.946 1.00 87.64 14 A 1 ATOM 96 C CE3 . TRP A 1 14 ? 4.885 5.470 -4.741 1.00 86.64 14 A 1 ATOM 97 C CZ2 . TRP A 1 14 ? 3.279 5.476 -7.064 1.00 85.88 14 A 1 ATOM 98 C CZ3 . TRP A 1 14 ? 5.221 6.237 -5.854 1.00 83.55 14 A 1 ATOM 99 C CH2 . TRP A 1 14 ? 4.423 6.236 -6.999 1.00 83.29 14 A 1 ATOM 100 N N . GLY A 1 15 ? 5.079 1.766 -0.211 1.00 89.84 15 A 1 ATOM 101 C CA . GLY A 1 15 ? 6.045 1.685 0.880 1.00 89.42 15 A 1 ATOM 102 C C . GLY A 1 15 ? 6.969 2.888 0.942 1.00 91.80 15 A 1 ATOM 103 O O . GLY A 1 15 ? 8.106 2.817 0.479 1.00 91.22 15 A 1 ATOM 104 N N . PRO A 1 16 ? 6.504 3.984 1.519 1.00 91.57 16 A 1 ATOM 105 C CA . PRO A 1 16 ? 7.357 5.167 1.666 1.00 91.56 16 A 1 ATOM 106 C C . PRO A 1 16 ? 8.559 4.878 2.557 1.00 93.08 16 A 1 ATOM 107 O O . PRO A 1 16 ? 9.606 5.511 2.432 1.00 90.84 16 A 1 ATOM 108 C CB . PRO A 1 16 ? 6.430 6.211 2.304 1.00 89.07 16 A 1 ATOM 109 C CG . PRO A 1 16 ? 5.334 5.419 2.939 1.00 86.59 16 A 1 ATOM 110 C CD . PRO A 1 16 ? 5.176 4.174 2.097 1.00 89.52 16 A 1 ATOM 111 N N . ALA A 1 17 ? 8.403 3.914 3.445 1.00 90.32 17 A 1 ATOM 112 C CA . ALA A 1 17 ? 9.482 3.518 4.346 1.00 91.13 17 A 1 ATOM 113 C C . ALA A 1 17 ? 10.502 2.645 3.623 1.00 92.64 17 A 1 ATOM 114 O O . ALA A 1 17 ? 11.621 2.462 4.100 1.00 90.53 17 A 1 ATOM 115 C CB . ALA A 1 17 ? 8.897 2.779 5.541 1.00 89.38 17 A 1 ATOM 116 N N . ALA A 1 18 ? 10.122 2.102 2.462 1.00 90.46 18 A 1 ATOM 117 C CA . ALA A 1 18 ? 11.017 1.253 1.676 1.00 90.13 18 A 1 ATOM 118 C C . ALA A 1 18 ? 12.256 2.031 1.256 1.00 91.46 18 A 1 ATOM 119 O O . ALA A 1 18 ? 13.324 1.457 1.054 1.00 88.90 18 A 1 ATOM 120 C CB . ALA A 1 18 ? 10.285 0.719 0.451 1.00 88.67 18 A 1 ATOM 121 N N . VAL A 1 19 ? 12.121 3.330 1.121 1.00 89.44 19 A 1 ATOM 122 C CA . VAL A 1 19 ? 13.244 4.187 0.741 1.00 88.96 19 A 1 ATOM 123 C C . VAL A 1 19 ? 14.324 4.144 1.819 1.00 90.38 19 A 1 ATOM 124 O O . VAL A 1 19 ? 15.520 4.205 1.518 1.00 88.73 19 A 1 ATOM 125 C CB . VAL A 1 19 ? 12.769 5.634 0.529 1.00 87.34 19 A 1 ATOM 126 C CG1 . VAL A 1 19 ? 13.928 6.509 0.065 1.00 83.01 19 A 1 ATOM 127 C CG2 . VAL A 1 19 ? 11.645 5.672 -0.492 1.00 83.92 19 A 1 ATOM 128 N N . LEU A 1 20 ? 13.887 4.029 3.058 1.00 89.27 20 A 1 ATOM 129 C CA . LEU A 1 20 ? 14.821 3.951 4.179 1.00 88.63 20 A 1 ATOM 130 C C . LEU A 1 20 ? 15.488 2.583 4.234 1.00 90.27 20 A 1 ATOM 131 O O . LEU A 1 20 ? 16.702 2.482 4.433 1.00 88.19 20 A 1 ATOM 132 C CB . LEU A 1 20 ? 14.082 4.230 5.490 1.00 87.33 20 A 1 ATOM 133 C CG . LEU A 1 20 ? 14.377 5.606 6.063 1.00 84.77 20 A 1 ATOM 134 C CD1 . LEU A 1 20 ? 13.255 6.587 5.757 1.00 81.38 20 A 1 ATOM 135 C CD2 . LEU A 1 20 ? 14.595 5.507 7.566 1.00 79.14 20 A 1 ATOM 136 N N . ALA A 1 21 ? 14.676 1.533 4.053 1.00 84.15 21 A 1 ATOM 137 C CA . ALA A 1 21 ? 15.175 0.162 4.100 1.00 82.88 21 A 1 ATOM 138 C C . ALA A 1 21 ? 15.280 -0.427 2.697 1.00 80.64 21 A 1 ATOM 139 O O . ALA A 1 21 ? 14.282 -0.397 1.963 1.00 75.96 21 A 1 ATOM 140 C CB . ALA A 1 21 ? 14.267 -0.691 4.974 1.00 77.46 21 A 1 ATOM 141 O OXT . ALA A 1 21 ? 16.355 -0.929 2.339 1.00 72.13 21 A 1 #