# 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_spkb22384 # _entry.id spkb22384 # 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" "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" "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 THR 3 1 n ALA 4 1 n SER 5 1 n LEU 6 1 n LEU 7 1 n ARG 8 1 n ALA 9 1 n VAL 10 1 n ILE 11 1 n ALA 12 1 n SER 13 1 n ILE 14 1 n CYS 15 1 n VAL 16 1 n VAL 17 1 n SER 18 1 n SER 19 1 n MET 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 @ 2025-07-05 18:41:15)" _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 95.06 _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 87.53 1 1 A LEU 2 2 91.58 1 2 A THR 3 2 94.21 1 3 A ALA 4 2 97.98 1 4 A SER 5 2 96.63 1 5 A LEU 6 2 96.31 1 6 A LEU 7 2 95.92 1 7 A ARG 8 2 90.77 1 8 A ALA 9 2 98.51 1 9 A VAL 10 2 98.04 1 10 A ILE 11 2 97.32 1 11 A ALA 12 2 98.55 1 12 A SER 13 2 95.90 1 13 A ILE 14 2 97.15 1 14 A CYS 15 2 97.67 1 15 A VAL 16 2 97.94 1 16 A VAL 17 2 97.57 1 17 A SER 18 2 96.45 1 18 A SER 19 2 95.96 1 19 A MET 20 2 89.76 1 20 A ALA 21 2 91.74 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 LEU . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n MET . 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 ? -15.432 4.790 -0.346 1.00 93.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.143 3.586 -1.155 1.00 94.73 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.218 2.652 -0.382 1.00 95.57 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.126 3.054 -0.009 1.00 93.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.482 3.980 -2.475 1.00 90.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.458 4.701 -3.398 1.00 84.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.683 5.128 -4.970 1.00 79.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.066 5.867 -5.825 1.00 68.10 1 A 1 ATOM 9 N N . LEU A 1 2 ? -14.653 1.431 -0.145 1.00 95.26 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -13.847 0.447 0.578 1.00 95.89 2 A 1 ATOM 11 C C . LEU A 1 2 ? -12.709 -0.077 -0.295 1.00 97.19 2 A 1 ATOM 12 O O . LEU A 1 2 ? -11.638 -0.410 0.208 1.00 96.19 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -14.736 -0.708 1.035 1.00 94.56 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -15.555 -0.391 2.283 1.00 88.21 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -16.888 0.247 1.921 1.00 83.79 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -15.791 -1.656 3.090 1.00 81.54 2 A 1 ATOM 17 N N . THR A 1 3 ? -12.926 -0.134 -1.595 1.00 96.86 3 A 1 ATOM 18 C CA . THR A 1 3 ? -11.917 -0.616 -2.540 1.00 97.04 3 A 1 ATOM 19 C C . THR A 1 3 ? -10.675 0.264 -2.533 1.00 97.24 3 A 1 ATOM 20 O O . THR A 1 3 ? -9.556 -0.225 -2.684 1.00 96.58 3 A 1 ATOM 21 C CB . THR A 1 3 ? -12.493 -0.655 -3.961 1.00 95.91 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -13.890 -0.411 -3.947 1.00 88.16 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -12.234 -2.003 -4.605 1.00 87.67 3 A 1 ATOM 24 N N . ALA A 1 4 ? -10.857 1.550 -2.360 1.00 98.13 4 A 1 ATOM 25 C CA . ALA A 1 4 ? -9.732 2.483 -2.318 1.00 98.10 4 A 1 ATOM 26 C C . ALA A 1 4 ? -8.792 2.148 -1.163 1.00 98.34 4 A 1 ATOM 27 O O . ALA A 1 4 ? -7.577 2.277 -1.280 1.00 97.96 4 A 1 ATOM 28 C CB . ALA A 1 4 ? -10.263 3.904 -2.185 1.00 97.39 4 A 1 ATOM 29 N N . SER A 1 5 ? -9.351 1.710 -0.057 1.00 98.48 5 A 1 ATOM 30 C CA . SER A 1 5 ? -8.563 1.330 1.113 1.00 98.47 5 A 1 ATOM 31 C C . SER A 1 5 ? -7.704 0.103 0.811 1.00 98.62 5 A 1 ATOM 32 O O . SER A 1 5 ? -6.555 0.019 1.247 1.00 98.29 5 A 1 ATOM 33 C CB . SER A 1 5 ? -9.498 1.050 2.286 1.00 97.97 5 A 1 ATOM 34 O OG . SER A 1 5 ? -8.768 0.957 3.481 1.00 87.96 5 A 1 ATOM 35 N N . LEU A 1 6 ? -8.250 -0.831 0.039 1.00 98.54 6 A 1 ATOM 36 C CA . LEU A 1 6 ? -7.520 -2.043 -0.336 1.00 98.52 6 A 1 ATOM 37 C C . LEU A 1 6 ? -6.347 -1.716 -1.251 1.00 98.64 6 A 1 ATOM 38 O O . LEU A 1 6 ? -5.239 -2.209 -1.041 1.00 98.44 6 A 1 ATOM 39 C CB . LEU A 1 6 ? -8.485 -3.016 -1.024 1.00 98.36 6 A 1 ATOM 40 C CG . LEU A 1 6 ? -9.206 -3.924 -0.029 1.00 94.43 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? -10.538 -4.394 -0.599 1.00 91.46 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? -8.334 -5.133 0.296 1.00 92.11 6 A 1 ATOM 43 N N . LEU A 1 7 ? -6.583 -0.878 -2.248 1.00 98.44 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -5.524 -0.478 -3.172 1.00 98.40 7 A 1 ATOM 45 C C . LEU A 1 7 ? -4.401 0.229 -2.424 1.00 98.52 7 A 1 ATOM 46 O O . LEU A 1 7 ? -3.224 -0.018 -2.667 1.00 98.33 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -6.098 0.437 -4.254 1.00 98.18 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -6.370 -0.296 -5.567 1.00 93.61 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -7.692 -1.055 -5.495 1.00 90.74 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? -6.396 0.684 -6.723 1.00 91.13 7 A 1 ATOM 51 N N . ARG A 1 8 ? -4.763 1.104 -1.510 1.00 98.59 8 A 1 ATOM 52 C CA . ARG A 1 8 ? -3.780 1.841 -0.717 1.00 98.58 8 A 1 ATOM 53 C C . ARG A 1 8 ? -2.975 0.886 0.157 1.00 98.67 8 A 1 ATOM 54 O O . ARG A 1 8 ? -1.762 1.034 0.289 1.00 98.42 8 A 1 ATOM 55 C CB . ARG A 1 8 ? -4.505 2.856 0.167 1.00 98.25 8 A 1 ATOM 56 C CG . ARG A 1 8 ? -3.853 4.231 0.141 1.00 92.11 8 A 1 ATOM 57 C CD . ARG A 1 8 ? -4.427 5.057 -1.009 1.00 90.49 8 A 1 ATOM 58 N NE . ARG A 1 8 ? -4.077 6.484 -0.883 1.00 86.86 8 A 1 ATOM 59 C CZ . ARG A 1 8 ? -4.829 7.371 -0.241 1.00 83.47 8 A 1 ATOM 60 N NH1 . ARG A 1 8 ? -5.942 7.029 0.366 1.00 76.28 8 A 1 ATOM 61 N NH2 . ARG A 1 8 ? -4.453 8.637 -0.204 1.00 76.73 8 A 1 ATOM 62 N N . ALA A 1 9 ? -3.653 -0.085 0.750 1.00 98.57 9 A 1 ATOM 63 C CA . ALA A 1 9 ? -2.994 -1.050 1.623 1.00 98.56 9 A 1 ATOM 64 C C . ALA A 1 9 ? -1.989 -1.904 0.847 1.00 98.67 9 A 1 ATOM 65 O O . ALA A 1 9 ? -0.877 -2.145 1.322 1.00 98.40 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -4.049 -1.930 2.287 1.00 98.34 9 A 1 ATOM 67 N N . VAL A 1 10 ? -2.365 -2.342 -0.345 1.00 98.63 10 A 1 ATOM 68 C CA . VAL A 1 10 ? -1.483 -3.168 -1.175 1.00 98.63 10 A 1 ATOM 69 C C . VAL A 1 10 ? -0.245 -2.381 -1.587 1.00 98.71 10 A 1 ATOM 70 O O . VAL A 1 10 ? 0.883 -2.857 -1.446 1.00 98.47 10 A 1 ATOM 71 C CB . VAL A 1 10 ? -2.234 -3.673 -2.418 1.00 98.36 10 A 1 ATOM 72 C CG1 . VAL A 1 10 ? -1.296 -4.433 -3.347 1.00 96.71 10 A 1 ATOM 73 C CG2 . VAL A 1 10 ? -3.380 -4.593 -2.001 1.00 96.79 10 A 1 ATOM 74 N N . ILE A 1 11 ? -0.450 -1.185 -2.087 1.00 98.62 11 A 1 ATOM 75 C CA . ILE A 1 11 ? 0.663 -0.342 -2.523 1.00 98.57 11 A 1 ATOM 76 C C . ILE A 1 11 ? 1.553 0.011 -1.332 1.00 98.60 11 A 1 ATOM 77 O O . ILE A 1 11 ? 2.781 0.021 -1.443 1.00 98.42 11 A 1 ATOM 78 C CB . ILE A 1 11 ? 0.130 0.932 -3.201 1.00 98.36 11 A 1 ATOM 79 C CG1 . ILE A 1 11 ? -0.631 0.569 -4.486 1.00 96.74 11 A 1 ATOM 80 C CG2 . ILE A 1 11 ? 1.290 1.878 -3.541 1.00 96.59 11 A 1 ATOM 81 C CD1 . ILE A 1 11 ? -1.522 1.691 -4.984 1.00 92.66 11 A 1 ATOM 82 N N . ALA A 1 12 ? 0.939 0.294 -0.208 1.00 98.68 12 A 1 ATOM 83 C CA . ALA A 1 12 ? 1.690 0.628 1.000 1.00 98.62 12 A 1 ATOM 84 C C . ALA A 1 12 ? 2.579 -0.543 1.419 1.00 98.67 12 A 1 ATOM 85 O O . ALA A 1 12 ? 3.727 -0.346 1.816 1.00 98.43 12 A 1 ATOM 86 C CB . ALA A 1 12 ? 0.720 0.991 2.117 1.00 98.37 12 A 1 ATOM 87 N N . SER A 1 13 ? 2.062 -1.758 1.303 1.00 98.56 13 A 1 ATOM 88 C CA . SER A 1 13 ? 2.819 -2.957 1.657 1.00 98.53 13 A 1 ATOM 89 C C . SER A 1 13 ? 4.030 -3.122 0.743 1.00 98.66 13 A 1 ATOM 90 O O . SER A 1 13 ? 5.141 -3.388 1.198 1.00 98.32 13 A 1 ATOM 91 C CB . SER A 1 13 ? 1.919 -4.187 1.559 1.00 98.05 13 A 1 ATOM 92 O OG . SER A 1 13 ? 1.986 -4.939 2.747 1.00 83.28 13 A 1 ATOM 93 N N . ILE A 1 14 ? 3.828 -2.940 -0.552 1.00 98.67 14 A 1 ATOM 94 C CA . ILE A 1 14 ? 4.911 -3.060 -1.527 1.00 98.61 14 A 1 ATOM 95 C C . ILE A 1 14 ? 5.945 -1.958 -1.309 1.00 98.67 14 A 1 ATOM 96 O O . ILE A 1 14 ? 7.150 -2.193 -1.420 1.00 98.36 14 A 1 ATOM 97 C CB . ILE A 1 14 ? 4.344 -2.997 -2.956 1.00 98.32 14 A 1 ATOM 98 C CG1 . ILE A 1 14 ? 3.396 -4.180 -3.209 1.00 96.46 14 A 1 ATOM 99 C CG2 . ILE A 1 14 ? 5.485 -3.022 -3.983 1.00 96.20 14 A 1 ATOM 100 C CD1 . ILE A 1 14 ? 2.485 -3.955 -4.405 1.00 91.91 14 A 1 ATOM 101 N N . CYS A 1 15 ? 5.484 -0.771 -0.998 1.00 98.77 15 A 1 ATOM 102 C CA . CYS A 1 15 ? 6.381 0.359 -0.743 1.00 98.73 15 A 1 ATOM 103 C C . CYS A 1 15 ? 7.301 0.057 0.440 1.00 98.75 15 A 1 ATOM 104 O O . CYS A 1 15 ? 8.505 0.301 0.386 1.00 98.37 15 A 1 ATOM 105 C CB . CYS A 1 15 ? 5.553 1.618 -0.465 1.00 98.46 15 A 1 ATOM 106 S SG . CYS A 1 15 ? 5.625 2.789 -1.838 1.00 92.96 15 A 1 ATOM 107 N N . VAL A 1 16 ? 6.733 -0.487 1.498 1.00 98.68 16 A 1 ATOM 108 C CA . VAL A 1 16 ? 7.514 -0.832 2.689 1.00 98.62 16 A 1 ATOM 109 C C . VAL A 1 16 ? 8.501 -1.953 2.369 1.00 98.68 16 A 1 ATOM 110 O O . VAL A 1 16 ? 9.668 -1.899 2.771 1.00 98.35 16 A 1 ATOM 111 C CB . VAL A 1 16 ? 6.580 -1.250 3.837 1.00 98.25 16 A 1 ATOM 112 C CG1 . VAL A 1 16 ? 7.381 -1.713 5.046 1.00 96.23 16 A 1 ATOM 113 C CG2 . VAL A 1 16 ? 5.687 -0.086 4.245 1.00 96.75 16 A 1 ATOM 114 N N . VAL A 1 17 ? 8.047 -2.953 1.638 1.00 98.65 17 A 1 ATOM 115 C CA . VAL A 1 17 ? 8.910 -4.077 1.252 1.00 98.58 17 A 1 ATOM 116 C C . VAL A 1 17 ? 10.050 -3.589 0.364 1.00 98.59 17 A 1 ATOM 117 O O . VAL A 1 17 ? 11.186 -4.053 0.490 1.00 98.13 17 A 1 ATOM 118 C CB . VAL A 1 17 ? 8.087 -5.150 0.526 1.00 98.13 17 A 1 ATOM 119 C CG1 . VAL A 1 17 ? 8.984 -6.239 -0.045 1.00 94.98 17 A 1 ATOM 120 C CG2 . VAL A 1 17 ? 7.087 -5.776 1.489 1.00 95.94 17 A 1 ATOM 121 N N . SER A 1 18 ? 9.768 -2.654 -0.513 1.00 98.58 18 A 1 ATOM 122 C CA . SER A 1 18 ? 10.780 -2.088 -1.407 1.00 98.47 18 A 1 ATOM 123 C C . SER A 1 18 ? 11.894 -1.419 -0.606 1.00 98.51 18 A 1 ATOM 124 O O . SER A 1 18 ? 13.065 -1.482 -0.981 1.00 97.91 18 A 1 ATOM 125 C CB . SER A 1 18 ? 10.123 -1.077 -2.339 1.00 97.89 18 A 1 ATOM 126 O OG . SER A 1 18 ? 10.989 -0.762 -3.400 1.00 87.33 18 A 1 ATOM 127 N N . SER A 1 19 ? 11.549 -0.798 0.495 1.00 98.30 19 A 1 ATOM 128 C CA . SER A 1 19 ? 12.528 -0.149 1.371 1.00 98.17 19 A 1 ATOM 129 C C . SER A 1 19 ? 13.418 -1.182 2.050 1.00 98.16 19 A 1 ATOM 130 O O . SER A 1 19 ? 14.598 -0.935 2.303 1.00 96.78 19 A 1 ATOM 131 C CB . SER A 1 19 ? 11.804 0.694 2.417 1.00 97.24 19 A 1 ATOM 132 O OG . SER A 1 19 ? 12.734 1.431 3.175 1.00 87.14 19 A 1 ATOM 133 N N . MET A 1 20 ? 12.847 -2.343 2.346 1.00 96.90 20 A 1 ATOM 134 C CA . MET A 1 20 ? 13.589 -3.426 2.999 1.00 96.64 20 A 1 ATOM 135 C C . MET A 1 20 ? 14.170 -4.406 1.972 1.00 97.06 20 A 1 ATOM 136 O O . MET A 1 20 ? 15.045 -5.203 2.309 1.00 95.40 20 A 1 ATOM 137 C CB . MET A 1 20 ? 12.657 -4.156 3.977 1.00 94.12 20 A 1 ATOM 138 C CG . MET A 1 20 ? 13.430 -4.864 5.069 1.00 86.50 20 A 1 ATOM 139 S SD . MET A 1 20 ? 12.350 -5.679 6.245 1.00 80.41 20 A 1 ATOM 140 C CE . MET A 1 20 ? 13.577 -6.470 7.285 1.00 71.02 20 A 1 ATOM 141 N N . ALA A 1 21 ? 13.681 -4.317 0.742 1.00 96.08 21 A 1 ATOM 142 C CA . ALA A 1 21 ? 14.086 -5.215 -0.351 1.00 95.13 21 A 1 ATOM 143 C C . ALA A 1 21 ? 13.825 -6.675 0.003 1.00 93.90 21 A 1 ATOM 144 O O . ALA A 1 21 ? 14.719 -7.345 0.542 1.00 90.23 21 A 1 ATOM 145 C CB . ALA A 1 21 ? 15.544 -4.986 -0.712 1.00 91.79 21 A 1 ATOM 146 O OXT . ALA A 1 21 ? 12.667 -7.124 -0.250 1.00 83.32 21 A 1 #