# 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_spkb34227 # _entry.id spkb34227 # 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 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" "C3 H7 N O3" 105.093 SER y SERINE C([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 PRO 3 1 n ALA 4 1 n ARG 5 1 n ARG 6 1 n PHE 7 1 n LEU 8 1 n ALA 9 1 n ALA 10 1 n LEU 11 1 n ALA 12 1 n CYS 13 1 n VAL 14 1 n ALA 15 1 n GLY 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n SER 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 @ 2025-07-13 12:12:20)" _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 94.19 _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 86.54 1 1 A ARG 2 2 85.83 1 2 A PRO 3 2 95.85 1 3 A ALA 4 2 97.71 1 4 A ARG 5 2 89.42 1 5 A ARG 6 2 91.36 1 6 A PHE 7 2 95.92 1 7 A LEU 8 2 96.36 1 8 A ALA 9 2 98.37 1 9 A ALA 10 2 98.42 1 10 A LEU 11 2 96.34 1 11 A ALA 12 2 98.42 1 12 A CYS 13 2 97.56 1 13 A VAL 14 2 97.71 1 14 A ALA 15 2 98.36 1 15 A GLY 16 2 98.36 1 16 A ALA 17 2 98.40 1 17 A LEU 18 2 96.49 1 18 A LEU 19 2 94.54 1 19 A SER 20 2 93.43 1 20 A ALA 21 2 89.40 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 ARG . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 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 ? 0.396 2.831 17.566 1.00 91.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.050 2.198 16.286 1.00 92.27 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.252 3.180 15.136 1.00 93.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.342 4.389 15.342 1.00 91.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.398 1.743 16.282 1.00 89.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.732 0.839 17.462 1.00 85.11 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.017 1.770 18.967 1.00 80.11 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.732 0.501 19.999 1.00 68.95 1 A 1 ATOM 9 N N . ARG A 1 2 ? 0.301 2.676 13.942 1.00 94.10 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 0.465 3.518 12.761 1.00 95.47 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.524 3.110 11.671 1.00 96.99 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.192 2.289 10.807 1.00 95.89 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 1.895 3.420 12.238 1.00 93.27 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 2.914 3.893 13.242 1.00 86.23 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 4.256 4.103 12.592 1.00 83.39 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 5.286 4.341 13.601 1.00 78.33 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 5.888 3.366 14.276 1.00 77.53 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 5.570 2.104 14.059 1.00 70.88 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 6.802 3.665 15.171 1.00 72.02 2 A 1 ATOM 20 N N . PRO A 1 3 ? -1.715 3.677 11.704 1.00 96.51 3 A 1 ATOM 21 C CA . PRO A 1 3 ? -2.732 3.385 10.690 1.00 97.15 3 A 1 ATOM 22 C C . PRO A 1 3 ? -2.260 3.750 9.291 1.00 97.79 3 A 1 ATOM 23 O O . PRO A 1 3 ? -2.725 3.182 8.303 1.00 97.11 3 A 1 ATOM 24 C CB . PRO A 1 3 ? -3.935 4.239 11.116 1.00 95.75 3 A 1 ATOM 25 C CG . PRO A 1 3 ? -3.409 5.230 12.092 1.00 92.12 3 A 1 ATOM 26 C CD . PRO A 1 3 ? -2.183 4.629 12.709 1.00 94.53 3 A 1 ATOM 27 N N . ALA A 1 4 ? -1.334 4.696 9.226 1.00 97.53 4 A 1 ATOM 28 C CA . ALA A 1 4 ? -0.768 5.114 7.948 1.00 97.93 4 A 1 ATOM 29 C C . ALA A 1 4 ? -0.087 3.942 7.253 1.00 98.18 4 A 1 ATOM 30 O O . ALA A 1 4 ? -0.122 3.820 6.030 1.00 97.61 4 A 1 ATOM 31 C CB . ALA A 1 4 ? 0.226 6.245 8.164 1.00 97.31 4 A 1 ATOM 32 N N . ARG A 1 5 ? 0.529 3.091 8.051 1.00 97.70 5 A 1 ATOM 33 C CA . ARG A 1 5 ? 1.218 1.912 7.521 1.00 97.84 5 A 1 ATOM 34 C C . ARG A 1 5 ? 0.209 0.991 6.850 1.00 98.18 5 A 1 ATOM 35 O O . ARG A 1 5 ? 0.432 0.493 5.752 1.00 97.66 5 A 1 ATOM 36 C CB . ARG A 1 5 ? 1.930 1.173 8.655 1.00 97.25 5 A 1 ATOM 37 C CG . ARG A 1 5 ? 3.401 0.977 8.405 1.00 92.23 5 A 1 ATOM 38 C CD . ARG A 1 5 ? 3.710 -0.453 8.014 1.00 88.09 5 A 1 ATOM 39 N NE . ARG A 1 5 ? 3.320 -0.750 6.635 1.00 83.32 5 A 1 ATOM 40 C CZ . ARG A 1 5 ? 3.396 -1.965 6.094 1.00 81.56 5 A 1 ATOM 41 N NH1 . ARG A 1 5 ? 3.841 -2.986 6.796 1.00 73.82 5 A 1 ATOM 42 N NH2 . ARG A 1 5 ? 3.020 -2.157 4.841 1.00 75.97 5 A 1 ATOM 43 N N . ARG A 1 6 ? -0.911 0.790 7.534 1.00 97.77 6 A 1 ATOM 44 C CA . ARG A 1 6 ? -1.968 -0.062 6.998 1.00 97.98 6 A 1 ATOM 45 C C . ARG A 1 6 ? -2.577 0.578 5.761 1.00 98.27 6 A 1 ATOM 46 O O . ARG A 1 6 ? -2.882 -0.101 4.784 1.00 97.89 6 A 1 ATOM 47 C CB . ARG A 1 6 ? -3.032 -0.283 8.069 1.00 97.65 6 A 1 ATOM 48 C CG . ARG A 1 6 ? -4.133 -1.218 7.628 1.00 94.69 6 A 1 ATOM 49 C CD . ARG A 1 6 ? -3.584 -2.594 7.296 1.00 91.14 6 A 1 ATOM 50 N NE . ARG A 1 6 ? -4.642 -3.499 6.848 1.00 87.03 6 A 1 ATOM 51 C CZ . ARG A 1 6 ? -4.444 -4.571 6.102 1.00 85.19 6 A 1 ATOM 52 N NH1 . ARG A 1 6 ? -3.233 -4.888 5.706 1.00 78.30 6 A 1 ATOM 53 N NH2 . ARG A 1 6 ? -5.470 -5.330 5.744 1.00 79.03 6 A 1 ATOM 54 N N . PHE A 1 7 ? -2.733 1.877 5.831 1.00 97.93 7 A 1 ATOM 55 C CA . PHE A 1 7 ? -3.268 2.636 4.712 1.00 97.97 7 A 1 ATOM 56 C C . PHE A 1 7 ? -2.364 2.502 3.496 1.00 98.18 7 A 1 ATOM 57 O O . PHE A 1 7 ? -2.833 2.284 2.377 1.00 97.94 7 A 1 ATOM 58 C CB . PHE A 1 7 ? -3.401 4.103 5.106 1.00 97.79 7 A 1 ATOM 59 C CG . PHE A 1 7 ? -3.889 4.965 3.980 1.00 96.36 7 A 1 ATOM 60 C CD1 . PHE A 1 7 ? -5.215 4.924 3.586 1.00 94.46 7 A 1 ATOM 61 C CD2 . PHE A 1 7 ? -3.017 5.813 3.318 1.00 94.39 7 A 1 ATOM 62 C CE1 . PHE A 1 7 ? -5.661 5.715 2.546 1.00 93.29 7 A 1 ATOM 63 C CE2 . PHE A 1 7 ? -3.460 6.605 2.271 1.00 93.17 7 A 1 ATOM 64 C CZ . PHE A 1 7 ? -4.786 6.555 1.887 1.00 93.64 7 A 1 ATOM 65 N N . LEU A 1 8 ? -1.079 2.631 3.737 1.00 98.11 8 A 1 ATOM 66 C CA . LEU A 1 8 ? -0.096 2.506 2.670 1.00 98.22 8 A 1 ATOM 67 C C . LEU A 1 8 ? -0.116 1.102 2.086 1.00 98.42 8 A 1 ATOM 68 O O . LEU A 1 8 ? 0.030 0.922 0.876 1.00 98.32 8 A 1 ATOM 69 C CB . LEU A 1 8 ? 1.299 2.826 3.213 1.00 98.06 8 A 1 ATOM 70 C CG . LEU A 1 8 ? 1.537 4.312 3.454 1.00 95.10 8 A 1 ATOM 71 C CD1 . LEU A 1 8 ? 2.796 4.526 4.283 1.00 91.99 8 A 1 ATOM 72 C CD2 . LEU A 1 8 ? 1.656 5.051 2.129 1.00 92.68 8 A 1 ATOM 73 N N . ALA A 1 9 ? -0.288 0.124 2.961 1.00 98.41 9 A 1 ATOM 74 C CA . ALA A 1 9 ? -0.347 -1.265 2.527 1.00 98.42 9 A 1 ATOM 75 C C . ALA A 1 9 ? -1.542 -1.481 1.604 1.00 98.52 9 A 1 ATOM 76 O O . ALA A 1 9 ? -1.434 -2.145 0.574 1.00 98.30 9 A 1 ATOM 77 C CB . ALA A 1 9 ? -0.440 -2.187 3.736 1.00 98.19 9 A 1 ATOM 78 N N . ALA A 1 10 ? -2.670 -0.913 1.993 1.00 98.48 10 A 1 ATOM 79 C CA . ALA A 1 10 ? -3.881 -1.024 1.188 1.00 98.49 10 A 1 ATOM 80 C C . ALA A 1 10 ? -3.692 -0.324 -0.152 1.00 98.59 10 A 1 ATOM 81 O O . ALA A 1 10 ? -4.095 -0.839 -1.198 1.00 98.31 10 A 1 ATOM 82 C CB . ALA A 1 10 ? -5.061 -0.417 1.937 1.00 98.25 10 A 1 ATOM 83 N N . LEU A 1 11 ? -3.066 0.834 -0.100 1.00 98.41 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -2.794 1.604 -1.307 1.00 98.38 11 A 1 ATOM 85 C C . LEU A 1 11 ? -1.875 0.828 -2.237 1.00 98.52 11 A 1 ATOM 86 O O . LEU A 1 11 ? -2.070 0.812 -3.454 1.00 98.38 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -2.153 2.941 -0.937 1.00 98.08 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -1.998 3.899 -2.109 1.00 94.73 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -3.361 4.344 -2.614 1.00 91.75 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -1.162 5.100 -1.701 1.00 92.49 11 A 1 ATOM 91 N N . ALA A 1 12 ? -0.875 0.200 -1.650 1.00 98.45 12 A 1 ATOM 92 C CA . ALA A 1 12 ? 0.072 -0.599 -2.417 1.00 98.49 12 A 1 ATOM 93 C C . ALA A 1 12 ? -0.634 -1.771 -3.085 1.00 98.60 12 A 1 ATOM 94 O O . ALA A 1 12 ? -0.330 -2.122 -4.227 1.00 98.32 12 A 1 ATOM 95 C CB . ALA A 1 12 ? 1.188 -1.101 -1.508 1.00 98.26 12 A 1 ATOM 96 N N . CYS A 1 13 ? -1.576 -2.362 -2.363 1.00 98.50 13 A 1 ATOM 97 C CA . CYS A 1 13 ? -2.339 -3.482 -2.895 1.00 98.46 13 A 1 ATOM 98 C C . CYS A 1 13 ? -3.144 -3.041 -4.117 1.00 98.58 13 A 1 ATOM 99 O O . CYS A 1 13 ? -3.163 -3.717 -5.146 1.00 98.18 13 A 1 ATOM 100 C CB . CYS A 1 13 ? -3.277 -4.038 -1.826 1.00 98.09 13 A 1 ATOM 101 S SG . CYS A 1 13 ? -4.007 -5.608 -2.314 1.00 93.56 13 A 1 ATOM 102 N N . VAL A 1 14 ? -3.789 -1.902 -3.982 1.00 98.49 14 A 1 ATOM 103 C CA . VAL A 1 14 ? -4.572 -1.345 -5.080 1.00 98.48 14 A 1 ATOM 104 C C . VAL A 1 14 ? -3.667 -0.997 -6.253 1.00 98.62 14 A 1 ATOM 105 O O . VAL A 1 14 ? -4.006 -1.244 -7.416 1.00 98.40 14 A 1 ATOM 106 C CB . VAL A 1 14 ? -5.338 -0.097 -4.623 1.00 98.06 14 A 1 ATOM 107 C CG1 . VAL A 1 14 ? -6.083 0.530 -5.792 1.00 95.54 14 A 1 ATOM 108 C CG2 . VAL A 1 14 ? -6.301 -0.451 -3.507 1.00 96.37 14 A 1 ATOM 109 N N . ALA A 1 15 ? -2.517 -0.426 -5.928 1.00 98.48 15 A 1 ATOM 110 C CA . ALA A 1 15 ? -1.548 -0.059 -6.956 1.00 98.46 15 A 1 ATOM 111 C C . ALA A 1 15 ? -1.087 -1.292 -7.720 1.00 98.56 15 A 1 ATOM 112 O O . ALA A 1 15 ? -0.913 -1.249 -8.939 1.00 98.19 15 A 1 ATOM 113 C CB . ALA A 1 15 ? -0.353 0.643 -6.321 1.00 98.12 15 A 1 ATOM 114 N N . GLY A 1 16 ? -0.900 -2.380 -6.990 1.00 98.44 16 A 1 ATOM 115 C CA . GLY A 1 16 ? -0.494 -3.629 -7.618 1.00 98.31 16 A 1 ATOM 116 C C . GLY A 1 16 ? -1.535 -4.113 -8.603 1.00 98.46 16 A 1 ATOM 117 O O . GLY A 1 16 ? -1.213 -4.544 -9.712 1.00 98.24 16 A 1 ATOM 118 N N . ALA A 1 17 ? -2.792 -4.033 -8.189 1.00 98.58 17 A 1 ATOM 119 C CA . ALA A 1 17 ? -3.896 -4.439 -9.049 1.00 98.51 17 A 1 ATOM 120 C C . ALA A 1 17 ? -3.982 -3.529 -10.270 1.00 98.59 17 A 1 ATOM 121 O O . ALA A 1 17 ? -4.245 -3.992 -11.381 1.00 98.12 17 A 1 ATOM 122 C CB . ALA A 1 17 ? -5.205 -4.398 -8.271 1.00 98.19 17 A 1 ATOM 123 N N . LEU A 1 18 ? -3.746 -2.251 -10.051 1.00 98.27 18 A 1 ATOM 124 C CA . LEU A 1 18 ? -3.772 -1.266 -11.130 1.00 98.11 18 A 1 ATOM 125 C C . LEU A 1 18 ? -2.700 -1.571 -12.164 1.00 98.17 18 A 1 ATOM 126 O O . LEU A 1 18 ? -2.945 -1.499 -13.371 1.00 97.54 18 A 1 ATOM 127 C CB . LEU A 1 18 ? -3.552 0.131 -10.558 1.00 97.73 18 A 1 ATOM 128 C CG . LEU A 1 18 ? -3.568 1.240 -11.600 1.00 95.87 18 A 1 ATOM 129 C CD1 . LEU A 1 18 ? -4.971 1.427 -12.153 1.00 93.46 18 A 1 ATOM 130 C CD2 . LEU A 1 18 ? -3.058 2.539 -11.000 1.00 92.74 18 A 1 ATOM 131 N N . LEU A 1 19 ? -1.515 -1.909 -11.679 1.00 97.48 19 A 1 ATOM 132 C CA . LEU A 1 19 ? -0.400 -2.222 -12.563 1.00 97.31 19 A 1 ATOM 133 C C . LEU A 1 19 ? -0.677 -3.504 -13.336 1.00 97.58 19 A 1 ATOM 134 O O . LEU A 1 19 ? -0.411 -3.592 -14.541 1.00 96.39 19 A 1 ATOM 135 C CB . LEU A 1 19 ? 0.890 -2.340 -11.742 1.00 96.75 19 A 1 ATOM 136 C CG . LEU A 1 19 ? 2.173 -2.140 -12.552 1.00 93.54 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? 3.333 -1.814 -11.629 1.00 89.21 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? 2.503 -3.362 -13.388 1.00 88.03 19 A 1 ATOM 139 N N . SER A 1 20 ? -1.201 -4.492 -12.637 1.00 96.77 20 A 1 ATOM 140 C CA . SER A 1 20 ? -1.501 -5.781 -13.254 1.00 96.48 20 A 1 ATOM 141 C C . SER A 1 20 ? -2.735 -5.702 -14.146 1.00 96.46 20 A 1 ATOM 142 O O . SER A 1 20 ? -2.789 -6.322 -15.209 1.00 93.34 20 A 1 ATOM 143 C CB . SER A 1 20 ? -1.707 -6.845 -12.181 1.00 94.66 20 A 1 ATOM 144 O OG . SER A 1 20 ? -1.863 -8.116 -12.771 1.00 82.89 20 A 1 ATOM 145 N N . ALA A 1 21 ? -3.709 -4.926 -13.686 1.00 94.76 21 A 1 ATOM 146 C CA . ALA A 1 21 ? -4.972 -4.786 -14.407 1.00 93.04 21 A 1 ATOM 147 C C . ALA A 1 21 ? -5.214 -3.328 -14.789 1.00 91.45 21 A 1 ATOM 148 O O . ALA A 1 21 ? -6.163 -2.711 -14.281 1.00 86.11 21 A 1 ATOM 149 C CB . ALA A 1 21 ? -6.113 -5.317 -13.559 1.00 89.93 21 A 1 ATOM 150 O OXT . ALA A 1 21 ? -4.473 -2.804 -15.626 1.00 81.10 21 A 1 #