# 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_spkb08862 # _entry.id spkb08862 # 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" "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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "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 MET 2 1 n ARG 3 1 n LYS 4 1 n SER 5 1 n LEU 6 1 n CYS 7 1 n CYS 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n GLY 13 1 n ILE 14 1 n SER 15 1 n CYS 16 1 n SER 17 1 n ALA 18 1 n LEU 19 1 n ALA 20 # _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 @ 2025-07-03 21:49:14)" _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 81.32 _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 73.22 1 1 A MET 2 2 76.38 1 2 A ARG 3 2 75.60 1 3 A LYS 4 2 80.71 1 4 A SER 5 2 82.57 1 5 A LEU 6 2 82.57 1 6 A CYS 7 2 84.19 1 7 A CYS 8 2 83.61 1 8 A ALA 9 2 87.21 1 9 A LEU 10 2 85.46 1 10 A LEU 11 2 86.21 1 11 A LEU 12 2 85.17 1 12 A GLY 13 2 89.13 1 13 A ILE 14 2 83.34 1 14 A SER 15 2 83.88 1 15 A CYS 16 2 85.39 1 16 A SER 17 2 81.71 1 17 A ALA 18 2 82.21 1 18 A LEU 19 2 74.91 1 19 A ALA 20 2 72.93 1 20 # _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 MET . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ALA . 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 GLY . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? 2.914 12.238 -1.486 1.00 75.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.688 11.473 -1.772 1.00 80.16 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.756 10.091 -1.130 1.00 82.78 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.550 9.259 -1.549 1.00 77.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.503 11.302 -3.276 1.00 74.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.437 12.625 -4.010 1.00 70.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.262 12.399 -5.782 1.00 66.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.681 14.022 -6.351 1.00 58.05 1 A 1 ATOM 9 N N . MET A 1 2 ? 0.935 9.846 -0.128 1.00 78.61 2 A 1 ATOM 10 C CA . MET A 1 2 ? 0.931 8.555 0.557 1.00 82.09 2 A 1 ATOM 11 C C . MET A 1 2 ? -0.172 7.662 -0.016 1.00 85.17 2 A 1 ATOM 12 O O . MET A 1 2 ? -1.290 7.632 0.484 1.00 81.39 2 A 1 ATOM 13 C CB . MET A 1 2 ? 0.738 8.765 2.059 1.00 78.39 2 A 1 ATOM 14 C CG . MET A 1 2 ? 1.065 7.538 2.863 1.00 74.19 2 A 1 ATOM 15 S SD . MET A 1 2 ? 1.030 7.834 4.635 1.00 69.21 2 A 1 ATOM 16 C CE . MET A 1 2 ? -0.724 7.852 4.929 1.00 62.02 2 A 1 ATOM 17 N N . ARG A 1 3 ? 0.139 6.950 -1.085 1.00 80.39 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -0.825 6.076 -1.750 1.00 84.71 3 A 1 ATOM 19 C C . ARG A 1 3 ? -0.695 4.647 -1.231 1.00 86.59 3 A 1 ATOM 20 O O . ARG A 1 3 ? 0.157 3.889 -1.697 1.00 83.75 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -0.617 6.121 -3.264 1.00 82.48 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -0.953 7.471 -3.862 1.00 76.95 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -0.633 7.493 -5.341 1.00 76.16 3 A 1 ATOM 24 N NE . ARG A 1 3 ? 0.805 7.346 -5.570 1.00 70.34 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? 1.364 7.311 -6.772 1.00 67.41 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? 0.635 7.420 -7.863 1.00 62.38 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? 2.670 7.161 -6.880 1.00 60.44 3 A 1 ATOM 28 N N . LYS A 1 4 ? -1.549 4.287 -0.272 1.00 84.70 4 A 1 ATOM 29 C CA . LYS A 1 4 ? -1.528 2.949 0.320 1.00 85.43 4 A 1 ATOM 30 C C . LYS A 1 4 ? -1.914 1.887 -0.697 1.00 86.07 4 A 1 ATOM 31 O O . LYS A 1 4 ? -1.327 0.808 -0.725 1.00 84.19 4 A 1 ATOM 32 C CB . LYS A 1 4 ? -2.462 2.900 1.525 1.00 84.51 4 A 1 ATOM 33 C CG . LYS A 1 4 ? -2.085 3.870 2.621 1.00 81.05 4 A 1 ATOM 34 C CD . LYS A 1 4 ? -0.816 3.451 3.349 1.00 78.53 4 A 1 ATOM 35 C CE . LYS A 1 4 ? -1.053 2.299 4.292 1.00 74.24 4 A 1 ATOM 36 N NZ . LYS A 1 4 ? 0.156 1.982 5.102 1.00 67.66 4 A 1 ATOM 37 N N . SER A 1 5 ? -2.891 2.200 -1.551 1.00 83.29 5 A 1 ATOM 38 C CA . SER A 1 5 ? -3.362 1.263 -2.568 1.00 84.10 5 A 1 ATOM 39 C C . SER A 1 5 ? -2.250 0.886 -3.538 1.00 85.14 5 A 1 ATOM 40 O O . SER A 1 5 ? -2.094 -0.278 -3.890 1.00 84.24 5 A 1 ATOM 41 C CB . SER A 1 5 ? -4.537 1.863 -3.333 1.00 83.82 5 A 1 ATOM 42 O OG . SER A 1 5 ? -5.575 2.219 -2.440 1.00 74.81 5 A 1 ATOM 43 N N . LEU A 1 6 ? -1.482 1.875 -3.956 1.00 84.51 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -0.386 1.636 -4.887 1.00 85.57 6 A 1 ATOM 45 C C . LEU A 1 6 ? 0.730 0.849 -4.211 1.00 87.15 6 A 1 ATOM 46 O O . LEU A 1 6 ? 1.356 -0.016 -4.818 1.00 85.25 6 A 1 ATOM 47 C CB . LEU A 1 6 ? 0.130 2.970 -5.427 1.00 85.38 6 A 1 ATOM 48 C CG . LEU A 1 6 ? 0.482 2.929 -6.904 1.00 79.50 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? 0.371 4.312 -7.522 1.00 76.58 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? 1.883 2.384 -7.106 1.00 76.60 6 A 1 ATOM 51 N N . CYS A 1 7 ? 0.974 1.134 -2.946 1.00 85.77 7 A 1 ATOM 52 C CA . CYS A 1 7 ? 1.986 0.426 -2.171 1.00 85.67 7 A 1 ATOM 53 C C . CYS A 1 7 ? 1.644 -1.057 -2.067 1.00 87.47 7 A 1 ATOM 54 O O . CYS A 1 7 ? 2.500 -1.918 -2.261 1.00 84.43 7 A 1 ATOM 55 C CB . CYS A 1 7 ? 2.097 1.039 -0.775 1.00 83.02 7 A 1 ATOM 56 S SG . CYS A 1 7 ? 3.420 0.301 0.205 1.00 78.80 7 A 1 ATOM 57 N N . CYS A 1 8 ? 0.374 -1.347 -1.784 1.00 83.99 8 A 1 ATOM 58 C CA . CYS A 1 8 ? -0.082 -2.726 -1.674 1.00 84.92 8 A 1 ATOM 59 C C . CYS A 1 8 ? -0.041 -3.438 -3.016 1.00 86.73 8 A 1 ATOM 60 O O . CYS A 1 8 ? 0.253 -4.625 -3.085 1.00 83.87 8 A 1 ATOM 61 C CB . CYS A 1 8 ? -1.491 -2.755 -1.103 1.00 82.89 8 A 1 ATOM 62 S SG . CYS A 1 8 ? -1.519 -2.366 0.655 1.00 79.25 8 A 1 ATOM 63 N N . ALA A 1 9 ? -0.338 -2.695 -4.075 1.00 85.31 9 A 1 ATOM 64 C CA . ALA A 1 9 ? -0.275 -3.258 -5.417 1.00 87.02 9 A 1 ATOM 65 C C . ALA A 1 9 ? 1.143 -3.730 -5.720 1.00 89.78 9 A 1 ATOM 66 O O . ALA A 1 9 ? 1.343 -4.748 -6.376 1.00 87.70 9 A 1 ATOM 67 C CB . ALA A 1 9 ? -0.720 -2.217 -6.437 1.00 86.22 9 A 1 ATOM 68 N N . LEU A 1 10 ? 2.110 -2.994 -5.220 1.00 86.05 10 A 1 ATOM 69 C CA . LEU A 1 10 ? 3.515 -3.347 -5.392 1.00 86.82 10 A 1 ATOM 70 C C . LEU A 1 10 ? 3.844 -4.607 -4.596 1.00 89.43 10 A 1 ATOM 71 O O . LEU A 1 10 ? 4.702 -5.397 -4.991 1.00 88.34 10 A 1 ATOM 72 C CB . LEU A 1 10 ? 4.389 -2.172 -4.946 1.00 86.92 10 A 1 ATOM 73 C CG . LEU A 1 10 ? 5.801 -2.193 -5.524 1.00 84.07 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? 6.294 -0.775 -5.762 1.00 80.96 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? 6.755 -2.921 -4.598 1.00 81.12 10 A 1 ATOM 76 N N . LEU A 1 11 ? 3.142 -4.807 -3.487 1.00 87.95 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 3.313 -5.987 -2.640 1.00 87.86 11 A 1 ATOM 78 C C . LEU A 1 11 ? 2.439 -7.150 -3.112 1.00 89.86 11 A 1 ATOM 79 O O . LEU A 1 11 ? 2.025 -7.987 -2.315 1.00 89.12 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 2.984 -5.634 -1.186 1.00 87.19 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 3.955 -4.656 -0.534 1.00 85.10 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? 3.410 -4.166 0.797 1.00 81.50 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 5.305 -5.330 -0.321 1.00 81.09 11 A 1 ATOM 84 N N . LEU A 1 12 ? 2.162 -7.205 -4.416 1.00 87.14 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 1.333 -8.256 -5.007 1.00 87.00 12 A 1 ATOM 86 C C . LEU A 1 12 ? -0.121 -8.183 -4.546 1.00 89.51 12 A 1 ATOM 87 O O . LEU A 1 12 ? -0.788 -9.208 -4.393 1.00 87.48 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 1.911 -9.645 -4.712 1.00 85.54 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 3.048 -10.058 -5.642 1.00 83.71 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 4.350 -9.388 -5.249 1.00 80.78 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 3.213 -11.569 -5.631 1.00 80.23 12 A 1 ATOM 92 N N . GLY A 1 13 ? -0.611 -6.972 -4.339 1.00 88.83 13 A 1 ATOM 93 C CA . GLY A 1 13 ? -2.010 -6.787 -3.965 1.00 88.88 13 A 1 ATOM 94 C C . GLY A 1 13 ? -2.316 -7.120 -2.521 1.00 90.16 13 A 1 ATOM 95 O O . GLY A 1 13 ? -3.451 -7.446 -2.186 1.00 88.66 13 A 1 ATOM 96 N N . ILE A 1 14 ? -1.327 -7.039 -1.667 1.00 84.37 14 A 1 ATOM 97 C CA . ILE A 1 14 ? -1.532 -7.304 -0.243 1.00 85.11 14 A 1 ATOM 98 C C . ILE A 1 14 ? -2.352 -6.177 0.369 1.00 86.47 14 A 1 ATOM 99 O O . ILE A 1 14 ? -2.102 -5.002 0.111 1.00 83.21 14 A 1 ATOM 100 C CB . ILE A 1 14 ? -0.190 -7.447 0.495 1.00 85.16 14 A 1 ATOM 101 C CG1 . ILE A 1 14 ? 0.561 -8.675 -0.025 1.00 83.59 14 A 1 ATOM 102 C CG2 . ILE A 1 14 ? -0.416 -7.558 2.000 1.00 81.64 14 A 1 ATOM 103 C CD1 . ILE A 1 14 ? 1.967 -8.806 0.516 1.00 77.19 14 A 1 ATOM 104 N N . SER A 1 15 ? -3.330 -6.542 1.181 1.00 85.44 15 A 1 ATOM 105 C CA . SER A 1 15 ? -4.217 -5.561 1.798 1.00 85.74 15 A 1 ATOM 106 C C . SER A 1 15 ? -3.440 -4.566 2.652 1.00 85.69 15 A 1 ATOM 107 O O . SER A 1 15 ? -2.719 -4.957 3.568 1.00 84.01 15 A 1 ATOM 108 C CB . SER A 1 15 ? -5.275 -6.254 2.649 1.00 85.37 15 A 1 ATOM 109 O OG . SER A 1 15 ? -6.156 -5.307 3.214 1.00 77.05 15 A 1 ATOM 110 N N . CYS A 1 16 ? -3.609 -3.280 2.338 1.00 87.29 16 A 1 ATOM 111 C CA . CYS A 1 16 ? -2.949 -2.224 3.095 1.00 87.03 16 A 1 ATOM 112 C C . CYS A 1 16 ? -3.442 -2.191 4.532 1.00 87.61 16 A 1 ATOM 113 O O . CYS A 1 16 ? -2.679 -1.937 5.456 1.00 84.15 16 A 1 ATOM 114 C CB . CYS A 1 16 ? -3.195 -0.875 2.422 1.00 85.34 16 A 1 ATOM 115 S SG . CYS A 1 16 ? -2.396 -0.735 0.801 1.00 80.90 16 A 1 ATOM 116 N N . SER A 1 17 ? -4.726 -2.461 4.698 1.00 83.24 17 A 1 ATOM 117 C CA . SER A 1 17 ? -5.333 -2.479 6.026 1.00 84.04 17 A 1 ATOM 118 C C . SER A 1 17 ? -4.720 -3.576 6.888 1.00 84.50 17 A 1 ATOM 119 O O . SER A 1 17 ? -4.569 -3.420 8.095 1.00 82.14 17 A 1 ATOM 120 C CB . SER A 1 17 ? -6.839 -2.687 5.915 1.00 82.34 17 A 1 ATOM 121 O OG . SER A 1 17 ? -7.427 -1.657 5.140 1.00 74.00 17 A 1 ATOM 122 N N . ALA A 1 18 ? -4.367 -4.689 6.258 1.00 82.71 18 A 1 ATOM 123 C CA . ALA A 1 18 ? -3.739 -5.797 6.966 1.00 82.60 18 A 1 ATOM 124 C C . ALA A 1 18 ? -2.301 -5.460 7.351 1.00 83.48 18 A 1 ATOM 125 O O . ALA A 1 18 ? -1.813 -5.892 8.394 1.00 80.62 18 A 1 ATOM 126 C CB . ALA A 1 18 ? -3.772 -7.054 6.104 1.00 81.66 18 A 1 ATOM 127 N N . LEU A 1 19 ? -1.643 -4.690 6.488 1.00 79.77 19 A 1 ATOM 128 C CA . LEU A 1 19 ? -0.273 -4.257 6.749 1.00 78.43 19 A 1 ATOM 129 C C . LEU A 1 19 ? -0.219 -3.288 7.922 1.00 81.09 19 A 1 ATOM 130 O O . LEU A 1 19 ? 0.651 -3.385 8.789 1.00 76.82 19 A 1 ATOM 131 C CB . LEU A 1 19 ? 0.324 -3.600 5.499 1.00 75.02 19 A 1 ATOM 132 C CG . LEU A 1 19 ? 1.370 -4.424 4.766 1.00 72.13 19 A 1 ATOM 133 C CD1 . LEU A 1 19 ? 2.564 -4.670 5.662 1.00 68.33 19 A 1 ATOM 134 C CD2 . LEU A 1 19 ? 0.766 -5.743 4.309 1.00 67.66 19 A 1 ATOM 135 N N . ALA A 1 20 ? -1.169 -2.359 7.927 1.00 78.76 20 A 1 ATOM 136 C CA . ALA A 1 20 ? -1.250 -1.347 8.971 1.00 77.07 20 A 1 ATOM 137 C C . ALA A 1 20 ? -2.477 -1.582 9.847 1.00 75.24 20 A 1 ATOM 138 O O . ALA A 1 20 ? -3.587 -1.230 9.427 1.00 70.42 20 A 1 ATOM 139 C CB . ALA A 1 20 ? -1.288 0.040 8.354 1.00 70.71 20 A 1 ATOM 140 O OXT . ALA A 1 20 ? -2.318 -2.138 10.945 1.00 65.37 20 A 1 #