# 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_spkb44711 # _entry.id spkb44711 # 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" "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" "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 LEU 2 1 n LYS 3 1 n LYS 4 1 n THR 5 1 n LEU 6 1 n LEU 7 1 n SER 8 1 n LEU 9 1 n THR 10 1 n ALA 11 1 n VAL 12 1 n SER 13 1 n MET 14 1 n LEU 15 1 n ALA 16 1 n SER 17 1 n ALA 18 1 n GLY 19 1 n SER 20 1 n ALA 21 1 n LEU 22 1 n ALA 23 # _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 13:36:43)" _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 93.58 _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 85.65 1 1 A LEU 2 2 91.28 1 2 A LYS 3 2 89.87 1 3 A LYS 4 2 90.84 1 4 A THR 5 2 95.06 1 5 A LEU 6 2 93.99 1 6 A LEU 7 2 94.89 1 7 A SER 8 2 96.62 1 8 A LEU 9 2 95.49 1 9 A THR 10 2 97.08 1 10 A ALA 11 2 98.23 1 11 A VAL 12 2 97.68 1 12 A SER 13 2 96.08 1 13 A MET 14 2 93.66 1 14 A LEU 15 2 93.87 1 15 A ALA 16 2 97.91 1 16 A SER 17 2 95.18 1 17 A ALA 18 2 97.43 1 18 A GLY 19 2 96.16 1 19 A SER 20 2 93.60 1 20 A ALA 21 2 95.54 1 21 A LEU 22 2 88.77 1 22 A ALA 23 2 86.15 1 23 # _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 LEU . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -15.920 -1.125 -1.480 1.00 90.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.340 -2.438 -1.154 1.00 93.48 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.147 -2.736 -2.054 1.00 95.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.067 -3.067 -1.574 1.00 92.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.391 -3.543 -1.297 1.00 87.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.514 -3.380 -0.280 1.00 81.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.800 -4.607 -0.479 1.00 77.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.899 -4.135 0.838 1.00 67.72 1 A 1 ATOM 9 N N . LEU A 1 2 ? -14.353 -2.593 -3.351 1.00 94.31 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -13.260 -2.799 -4.301 1.00 96.06 2 A 1 ATOM 11 C C . LEU A 1 2 ? -12.184 -1.742 -4.115 1.00 97.25 2 A 1 ATOM 12 O O . LEU A 1 2 ? -10.987 -2.029 -4.203 1.00 96.14 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -13.792 -2.754 -5.733 1.00 94.34 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -14.726 -3.906 -6.088 1.00 87.01 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -15.372 -3.661 -7.441 1.00 84.10 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -13.967 -5.228 -6.109 1.00 81.06 2 A 1 ATOM 17 N N . LYS A 1 3 ? -12.614 -0.523 -3.844 1.00 96.44 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -11.695 0.587 -3.611 1.00 97.05 3 A 1 ATOM 19 C C . LYS A 1 3 ? -10.833 0.329 -2.384 1.00 97.32 3 A 1 ATOM 20 O O . LYS A 1 3 ? -9.630 0.603 -2.405 1.00 97.01 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -12.448 1.915 -3.472 1.00 96.20 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -13.652 1.874 -2.539 1.00 89.41 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -14.901 1.422 -3.287 1.00 86.63 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -16.082 1.278 -2.346 1.00 77.10 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -17.241 0.671 -3.042 1.00 71.67 3 A 1 ATOM 26 N N . LYS A 1 4 ? -11.432 -0.208 -1.332 1.00 97.07 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -10.681 -0.510 -0.117 1.00 97.49 4 A 1 ATOM 28 C C . LYS A 1 4 ? -9.724 -1.669 -0.353 1.00 97.70 4 A 1 ATOM 29 O O . LYS A 1 4 ? -8.629 -1.701 0.215 1.00 97.07 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -11.640 -0.769 1.052 1.00 96.88 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -12.343 -2.121 1.009 1.00 91.36 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -11.580 -3.167 1.805 1.00 87.54 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -12.276 -4.518 1.762 1.00 79.97 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -11.503 -5.545 2.492 1.00 72.44 4 A 1 ATOM 35 N N . THR A 1 5 ? -10.133 -2.602 -1.190 1.00 96.96 5 A 1 ATOM 36 C CA . THR A 1 5 ? -9.287 -3.745 -1.526 1.00 96.88 5 A 1 ATOM 37 C C . THR A 1 5 ? -8.057 -3.274 -2.287 1.00 97.46 5 A 1 ATOM 38 O O . THR A 1 5 ? -6.930 -3.665 -1.976 1.00 97.07 5 A 1 ATOM 39 C CB . THR A 1 5 ? -10.056 -4.767 -2.373 1.00 96.86 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -11.223 -5.177 -1.673 1.00 91.69 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -9.201 -5.991 -2.652 1.00 88.52 5 A 1 ATOM 42 N N . LEU A 1 6 ? -8.279 -2.419 -3.270 1.00 96.52 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -7.184 -1.860 -4.053 1.00 96.88 6 A 1 ATOM 44 C C . LEU A 1 6 ? -6.290 -0.994 -3.175 1.00 97.64 6 A 1 ATOM 45 O O . LEU A 1 6 ? -5.066 -1.014 -3.307 1.00 97.43 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -7.744 -1.030 -5.208 1.00 96.95 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -6.721 -0.767 -6.308 1.00 91.43 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -6.525 -2.001 -7.172 1.00 87.26 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -7.163 0.403 -7.178 1.00 87.78 6 A 1 ATOM 50 N N . LEU A 1 7 ? -6.905 -0.248 -2.275 1.00 97.94 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -6.181 0.615 -1.346 1.00 97.83 7 A 1 ATOM 52 C C . LEU A 1 7 ? -5.281 -0.210 -0.441 1.00 98.11 7 A 1 ATOM 53 O O . LEU A 1 7 ? -4.148 0.182 -0.157 1.00 97.95 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -7.174 1.414 -0.504 1.00 97.67 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -6.528 2.515 0.328 1.00 91.35 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -6.084 3.666 -0.563 1.00 88.77 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -7.497 3.024 1.385 1.00 89.50 7 A 1 ATOM 58 N N . SER A 1 8 ? -5.783 -1.341 0.009 1.00 98.12 8 A 1 ATOM 59 C CA . SER A 1 8 ? -5.021 -2.238 0.873 1.00 98.12 8 A 1 ATOM 60 C C . SER A 1 8 ? -3.787 -2.767 0.148 1.00 98.25 8 A 1 ATOM 61 O O . SER A 1 8 ? -2.684 -2.752 0.695 1.00 98.07 8 A 1 ATOM 62 C CB . SER A 1 8 ? -5.899 -3.404 1.330 1.00 97.89 8 A 1 ATOM 63 O OG . SER A 1 8 ? -5.200 -4.221 2.244 1.00 89.29 8 A 1 ATOM 64 N N . LEU A 1 9 ? -3.985 -3.205 -1.087 1.00 98.20 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -2.880 -3.711 -1.897 1.00 98.23 9 A 1 ATOM 66 C C . LEU A 1 9 ? -1.857 -2.616 -2.160 1.00 98.44 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.647 -2.844 -2.099 1.00 98.26 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -3.412 -4.266 -3.224 1.00 98.03 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -3.627 -5.780 -3.249 1.00 92.02 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -2.291 -6.500 -3.161 1.00 89.60 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -4.538 -6.221 -2.121 1.00 91.11 9 A 1 ATOM 72 N N . THR A 1 10 ? -2.361 -1.424 -2.445 1.00 98.44 10 A 1 ATOM 73 C CA . THR A 1 10 ? -1.499 -0.275 -2.705 1.00 98.32 10 A 1 ATOM 74 C C . THR A 1 10 ? -0.706 0.090 -1.453 1.00 98.43 10 A 1 ATOM 75 O O . THR A 1 10 ? 0.486 0.395 -1.537 1.00 98.16 10 A 1 ATOM 76 C CB . THR A 1 10 ? -2.332 0.929 -3.161 1.00 98.08 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? -3.085 0.575 -4.316 1.00 95.10 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? -1.442 2.108 -3.521 1.00 93.04 10 A 1 ATOM 79 N N . ALA A 1 11 ? -1.359 0.050 -0.301 1.00 98.34 11 A 1 ATOM 80 C CA . ALA A 1 11 ? -0.714 0.367 0.967 1.00 98.30 11 A 1 ATOM 81 C C . ALA A 1 11 ? 0.433 -0.599 1.252 1.00 98.41 11 A 1 ATOM 82 O O . ALA A 1 11 ? 1.507 -0.185 1.693 1.00 98.07 11 A 1 ATOM 83 C CB . ALA A 1 11 ? -1.735 0.324 2.098 1.00 98.02 11 A 1 ATOM 84 N N . VAL A 1 12 ? 0.210 -1.872 0.993 1.00 98.49 12 A 1 ATOM 85 C CA . VAL A 1 12 ? 1.241 -2.888 1.196 1.00 98.43 12 A 1 ATOM 86 C C . VAL A 1 12 ? 2.427 -2.627 0.275 1.00 98.48 12 A 1 ATOM 87 O O . VAL A 1 12 ? 3.584 -2.719 0.694 1.00 98.15 12 A 1 ATOM 88 C CB . VAL A 1 12 ? 0.677 -4.294 0.953 1.00 98.04 12 A 1 ATOM 89 C CG1 . VAL A 1 12 ? 1.777 -5.344 1.032 1.00 96.04 12 A 1 ATOM 90 C CG2 . VAL A 1 12 ? -0.404 -4.608 1.971 1.00 96.16 12 A 1 ATOM 91 N N . SER A 1 13 ? 2.137 -2.292 -0.968 1.00 98.21 13 A 1 ATOM 92 C CA . SER A 1 13 ? 3.181 -2.001 -1.946 1.00 97.97 13 A 1 ATOM 93 C C . SER A 1 13 ? 3.985 -0.769 -1.544 1.00 98.04 13 A 1 ATOM 94 O O . SER A 1 13 ? 5.210 -0.749 -1.665 1.00 97.48 13 A 1 ATOM 95 C CB . SER A 1 13 ? 2.572 -1.787 -3.327 1.00 97.39 13 A 1 ATOM 96 O OG . SER A 1 13 ? 1.953 -2.970 -3.778 1.00 87.36 13 A 1 ATOM 97 N N . MET A 1 14 ? 3.289 0.246 -1.053 1.00 98.04 14 A 1 ATOM 98 C CA . MET A 1 14 ? 3.942 1.474 -0.611 1.00 97.95 14 A 1 ATOM 99 C C . MET A 1 14 ? 4.848 1.208 0.587 1.00 98.16 14 A 1 ATOM 100 O O . MET A 1 14 ? 5.965 1.717 0.656 1.00 97.65 14 A 1 ATOM 101 C CB . MET A 1 14 ? 2.900 2.531 -0.254 1.00 97.60 14 A 1 ATOM 102 C CG . MET A 1 14 ? 2.238 3.127 -1.485 1.00 94.55 14 A 1 ATOM 103 S SD . MET A 1 14 ? 1.034 4.397 -1.080 1.00 86.77 14 A 1 ATOM 104 C CE . MET A 1 14 ? 0.591 4.940 -2.723 1.00 78.56 14 A 1 ATOM 105 N N . LEU A 1 15 ? 4.354 0.406 1.513 1.00 97.71 15 A 1 ATOM 106 C CA . LEU A 1 15 ? 5.132 0.048 2.692 1.00 97.47 15 A 1 ATOM 107 C C . LEU A 1 15 ? 6.358 -0.765 2.302 1.00 97.77 15 A 1 ATOM 108 O O . LEU A 1 15 ? 7.448 -0.567 2.849 1.00 97.26 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 4.262 -0.743 3.667 1.00 96.88 15 A 1 ATOM 110 C CG . LEU A 1 15 ? 3.323 0.126 4.500 1.00 89.28 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? 2.252 -0.729 5.163 1.00 86.61 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 4.104 0.890 5.559 1.00 87.96 15 A 1 ATOM 113 N N . ALA A 1 16 ? 6.182 -1.667 1.356 1.00 98.19 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 7.288 -2.478 0.866 1.00 98.03 16 A 1 ATOM 115 C C . ALA A 1 16 ? 8.344 -1.603 0.201 1.00 98.20 16 A 1 ATOM 116 O O . ALA A 1 16 ? 9.543 -1.811 0.393 1.00 97.67 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 6.767 -3.519 -0.117 1.00 97.46 16 A 1 ATOM 118 N N . SER A 1 17 ? 7.896 -0.617 -0.559 1.00 97.97 17 A 1 ATOM 119 C CA . SER A 1 17 ? 8.792 0.317 -1.231 1.00 97.71 17 A 1 ATOM 120 C C . SER A 1 17 ? 9.570 1.142 -0.214 1.00 97.82 17 A 1 ATOM 121 O O . SER A 1 17 ? 10.784 1.318 -0.340 1.00 96.59 17 A 1 ATOM 122 C CB . SER A 1 17 ? 8.002 1.239 -2.154 1.00 96.55 17 A 1 ATOM 123 O OG . SER A 1 17 ? 8.869 2.089 -2.863 1.00 84.41 17 A 1 ATOM 124 N N . ALA A 1 18 ? 8.872 1.620 0.808 1.00 97.84 18 A 1 ATOM 125 C CA . ALA A 1 18 ? 9.495 2.403 1.867 1.00 97.65 18 A 1 ATOM 126 C C . ALA A 1 18 ? 10.509 1.564 2.632 1.00 97.89 18 A 1 ATOM 127 O O . ALA A 1 18 ? 11.588 2.045 2.986 1.00 96.89 18 A 1 ATOM 128 C CB . ALA A 1 18 ? 8.430 2.938 2.816 1.00 96.87 18 A 1 ATOM 129 N N . GLY A 1 19 ? 10.171 0.317 2.882 1.00 96.39 19 A 1 ATOM 130 C CA . GLY A 1 19 ? 11.072 -0.593 3.571 1.00 95.86 19 A 1 ATOM 131 C C . GLY A 1 19 ? 12.341 -0.838 2.787 1.00 96.46 19 A 1 ATOM 132 O O . GLY A 1 19 ? 13.436 -0.864 3.349 1.00 95.94 19 A 1 ATOM 133 N N . SER A 1 20 ? 12.204 -0.999 1.479 1.00 96.70 20 A 1 ATOM 134 C CA . SER A 1 20 ? 13.353 -1.202 0.602 1.00 96.52 20 A 1 ATOM 135 C C . SER A 1 20 ? 14.250 0.027 0.578 1.00 96.61 20 A 1 ATOM 136 O O . SER A 1 20 ? 15.474 -0.088 0.548 1.00 94.70 20 A 1 ATOM 137 C CB . SER A 1 20 ? 12.894 -1.524 -0.816 1.00 94.92 20 A 1 ATOM 138 O OG . SER A 1 20 ? 12.203 -2.754 -0.841 1.00 82.16 20 A 1 ATOM 139 N N . ALA A 1 21 ? 13.633 1.200 0.589 1.00 96.08 21 A 1 ATOM 140 C CA . ALA A 1 21 ? 14.376 2.455 0.589 1.00 95.87 21 A 1 ATOM 141 C C . ALA A 1 21 ? 15.120 2.652 1.905 1.00 96.46 21 A 1 ATOM 142 O O . ALA A 1 21 ? 16.244 3.158 1.925 1.00 94.71 21 A 1 ATOM 143 C CB . ALA A 1 21 ? 13.427 3.623 0.340 1.00 94.60 21 A 1 ATOM 144 N N . LEU A 1 22 ? 14.489 2.249 2.999 1.00 93.57 22 A 1 ATOM 145 C CA . LEU A 1 22 ? 15.089 2.366 4.324 1.00 93.40 22 A 1 ATOM 146 C C . LEU A 1 22 ? 16.135 1.290 4.573 1.00 94.53 22 A 1 ATOM 147 O O . LEU A 1 22 ? 17.076 1.498 5.345 1.00 93.07 22 A 1 ATOM 148 C CB . LEU A 1 22 ? 13.999 2.293 5.393 1.00 91.76 22 A 1 ATOM 149 C CG . LEU A 1 22 ? 13.107 3.527 5.464 1.00 85.12 22 A 1 ATOM 150 C CD1 . LEU A 1 22 ? 11.877 3.245 6.317 1.00 80.29 22 A 1 ATOM 151 C CD2 . LEU A 1 22 ? 13.882 4.704 6.049 1.00 78.44 22 A 1 ATOM 152 N N . ALA A 1 23 ? 15.977 0.152 3.927 1.00 91.16 23 A 1 ATOM 153 C CA . ALA A 1 23 ? 16.890 -0.970 4.090 1.00 89.71 23 A 1 ATOM 154 C C . ALA A 1 23 ? 18.284 -0.619 3.577 1.00 88.53 23 A 1 ATOM 155 O O . ALA A 1 23 ? 18.438 -0.395 2.367 1.00 84.49 23 A 1 ATOM 156 C CB . ALA A 1 23 ? 16.349 -2.204 3.392 1.00 85.09 23 A 1 ATOM 157 O OXT . ALA A 1 23 ? 19.219 -0.582 4.382 1.00 77.92 23 A 1 #