# 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_spkb25081 # _entry.id spkb25081 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 LYS 2 1 n LEU 3 1 n ILE 4 1 n ILE 5 1 n PHE 6 1 n ALA 7 1 n ALA 8 1 n ILE 9 1 n SER 10 1 n VAL 11 1 n ALA 12 1 n PHE 13 1 n MET 14 1 n SER 15 1 n PHE 16 1 n ASP 17 1 n GLN 18 1 n VAL 19 1 n LEU 20 1 n GLY 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 @ 2025-07-08 03:49:40)" _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 95.01 _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 90.08 1 1 A LYS 2 2 92.89 1 2 A LEU 3 2 94.73 1 3 A ILE 4 2 96.38 1 4 A ILE 5 2 96.56 1 5 A PHE 6 2 95.11 1 6 A ALA 7 2 98.29 1 7 A ALA 8 2 98.55 1 8 A ILE 9 2 97.03 1 9 A SER 10 2 96.75 1 10 A VAL 11 2 97.68 1 11 A ALA 12 2 98.37 1 12 A PHE 13 2 95.20 1 13 A MET 14 2 93.21 1 14 A SER 15 2 97.10 1 15 A PHE 16 2 95.55 1 16 A ASP 17 2 95.30 1 17 A GLN 18 2 93.98 1 18 A VAL 19 2 96.48 1 19 A LEU 20 2 93.12 1 20 A GLY 21 2 84.21 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLY . 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 ? -14.369 -2.733 4.746 1.00 95.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.581 -1.705 5.454 1.00 96.30 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.088 -2.054 5.493 1.00 96.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.245 -1.163 5.416 1.00 94.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.138 -1.506 6.873 1.00 92.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.179 -0.038 7.261 1.00 86.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.176 0.268 8.720 1.00 84.58 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.209 2.060 8.725 1.00 73.80 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.767 -3.344 5.562 1.00 97.74 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.362 -3.786 5.600 1.00 97.92 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.601 -3.414 4.322 1.00 98.02 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.411 -3.112 4.385 1.00 97.48 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.295 -5.302 5.843 1.00 97.20 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.767 -5.688 7.245 1.00 93.16 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.612 -7.183 7.490 1.00 90.06 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.020 -7.543 8.911 1.00 85.48 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.860 -9.005 9.170 1.00 78.93 2 A 1 ATOM 18 N N . LEU A 1 3 ? -10.288 -3.390 3.180 1.00 97.82 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -9.658 -3.019 1.909 1.00 98.18 3 A 1 ATOM 20 C C . LEU A 1 3 ? -9.199 -1.560 1.915 1.00 98.50 3 A 1 ATOM 21 O O . LEU A 1 3 ? -8.150 -1.236 1.356 1.00 98.12 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -10.642 -3.258 0.756 1.00 97.60 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -10.912 -4.738 0.466 1.00 91.92 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -12.078 -4.869 -0.511 1.00 88.31 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -9.681 -5.416 -0.134 1.00 87.42 3 A 1 ATOM 26 N N . ILE A 1 4 ? -9.971 -0.689 2.552 1.00 98.17 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -9.618 0.732 2.644 1.00 98.27 4 A 1 ATOM 28 C C . ILE A 1 4 ? -8.360 0.902 3.499 1.00 98.48 4 A 1 ATOM 29 O O . ILE A 1 4 ? -7.456 1.664 3.146 1.00 98.31 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -10.796 1.548 3.216 1.00 98.03 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -12.030 1.425 2.298 1.00 95.56 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? -10.393 3.022 3.374 1.00 94.70 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -13.292 2.039 2.895 1.00 89.55 4 A 1 ATOM 34 N N . ILE A 1 5 ? -8.286 0.168 4.602 1.00 98.30 5 A 1 ATOM 35 C CA . ILE A 1 5 ? -7.123 0.217 5.493 1.00 98.30 5 A 1 ATOM 36 C C . ILE A 1 5 ? -5.885 -0.291 4.746 1.00 98.39 5 A 1 ATOM 37 O O . ILE A 1 5 ? -4.820 0.335 4.793 1.00 98.29 5 A 1 ATOM 38 C CB . ILE A 1 5 ? -7.387 -0.608 6.771 1.00 98.14 5 A 1 ATOM 39 C CG1 . ILE A 1 5 ? -8.579 -0.019 7.557 1.00 95.96 5 A 1 ATOM 40 C CG2 . ILE A 1 5 ? -6.132 -0.634 7.656 1.00 95.13 5 A 1 ATOM 41 C CD1 . ILE A 1 5 ? -9.049 -0.915 8.698 1.00 89.97 5 A 1 ATOM 42 N N . PHE A 1 6 ? -6.031 -1.404 4.025 1.00 98.18 6 A 1 ATOM 43 C CA . PHE A 1 6 ? -4.932 -1.971 3.249 1.00 98.24 6 A 1 ATOM 44 C C . PHE A 1 6 ? -4.471 -1.003 2.156 1.00 98.46 6 A 1 ATOM 45 O O . PHE A 1 6 ? -3.270 -0.824 1.945 1.00 98.25 6 A 1 ATOM 46 C CB . PHE A 1 6 ? -5.376 -3.306 2.644 1.00 97.87 6 A 1 ATOM 47 C CG . PHE A 1 6 ? -4.225 -4.052 2.014 1.00 95.42 6 A 1 ATOM 48 C CD1 . PHE A 1 6 ? -3.979 -3.949 0.643 1.00 92.83 6 A 1 ATOM 49 C CD2 . PHE A 1 6 ? -3.385 -4.834 2.802 1.00 93.10 6 A 1 ATOM 50 C CE1 . PHE A 1 6 ? -2.903 -4.621 0.061 1.00 91.44 6 A 1 ATOM 51 C CE2 . PHE A 1 6 ? -2.305 -5.508 2.225 1.00 91.51 6 A 1 ATOM 52 C CZ . PHE A 1 6 ? -2.062 -5.403 0.855 1.00 90.87 6 A 1 ATOM 53 N N . ALA A 1 7 ? -5.426 -0.366 1.480 1.00 98.34 7 A 1 ATOM 54 C CA . ALA A 1 7 ? -5.107 0.614 0.443 1.00 98.38 7 A 1 ATOM 55 C C . ALA A 1 7 ? -4.352 1.812 1.029 1.00 98.50 7 A 1 ATOM 56 O O . ALA A 1 7 ? -3.366 2.267 0.445 1.00 98.17 7 A 1 ATOM 57 C CB . ALA A 1 7 ? -6.400 1.060 -0.240 1.00 98.05 7 A 1 ATOM 58 N N . ALA A 1 8 ? -4.792 2.299 2.178 1.00 98.56 8 A 1 ATOM 59 C CA . ALA A 1 8 ? -4.136 3.424 2.844 1.00 98.64 8 A 1 ATOM 60 C C . ALA A 1 8 ? -2.693 3.073 3.234 1.00 98.70 8 A 1 ATOM 61 O O . ALA A 1 8 ? -1.777 3.867 3.011 1.00 98.41 8 A 1 ATOM 62 C CB . ALA A 1 8 ? -4.955 3.832 4.069 1.00 98.45 8 A 1 ATOM 63 N N . ILE A 1 9 ? -2.485 1.876 3.772 1.00 98.52 9 A 1 ATOM 64 C CA . ILE A 1 9 ? -1.149 1.409 4.154 1.00 98.42 9 A 1 ATOM 65 C C . ILE A 1 9 ? -0.274 1.242 2.909 1.00 98.40 9 A 1 ATOM 66 O O . ILE A 1 9 ? 0.892 1.649 2.912 1.00 98.08 9 A 1 ATOM 67 C CB . ILE A 1 9 ? -1.247 0.091 4.949 1.00 98.23 9 A 1 ATOM 68 C CG1 . ILE A 1 9 ? -1.930 0.338 6.306 1.00 96.44 9 A 1 ATOM 69 C CG2 . ILE A 1 9 ? 0.150 -0.508 5.179 1.00 95.85 9 A 1 ATOM 70 C CD1 . ILE A 1 9 ? -2.346 -0.948 7.013 1.00 92.32 9 A 1 ATOM 71 N N . SER A 1 10 ? -0.828 0.688 1.838 1.00 98.35 10 A 1 ATOM 72 C CA . SER A 1 10 ? -0.088 0.483 0.593 1.00 98.21 10 A 1 ATOM 73 C C . SER A 1 10 ? 0.356 1.812 -0.021 1.00 98.28 10 A 1 ATOM 74 O O . SER A 1 10 ? 1.500 1.945 -0.454 1.00 97.72 10 A 1 ATOM 75 C CB . SER A 1 10 ? -0.944 -0.292 -0.407 1.00 97.60 10 A 1 ATOM 76 O OG . SER A 1 10 ? -1.249 -1.575 0.098 1.00 90.32 10 A 1 ATOM 77 N N . VAL A 1 11 ? -0.530 2.796 -0.045 1.00 98.52 11 A 1 ATOM 78 C CA . VAL A 1 11 ? -0.208 4.123 -0.579 1.00 98.45 11 A 1 ATOM 79 C C . VAL A 1 11 ? 0.850 4.805 0.287 1.00 98.49 11 A 1 ATOM 80 O O . VAL A 1 11 ? 1.801 5.388 -0.237 1.00 98.07 11 A 1 ATOM 81 C CB . VAL A 1 11 ? -1.478 4.989 -0.675 1.00 98.15 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? -1.143 6.432 -1.045 1.00 95.95 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -2.421 4.419 -1.728 1.00 96.14 11 A 1 ATOM 84 N N . ALA A 1 12 ? 0.701 4.714 1.601 1.00 98.54 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 1.674 5.297 2.520 1.00 98.50 12 A 1 ATOM 86 C C . ALA A 1 12 ? 3.049 4.641 2.349 1.00 98.48 12 A 1 ATOM 87 O O . ALA A 1 12 ? 4.064 5.335 2.304 1.00 98.01 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 1.168 5.147 3.954 1.00 98.32 12 A 1 ATOM 89 N N . PHE A 1 13 ? 3.080 3.312 2.209 1.00 98.21 13 A 1 ATOM 90 C CA . PHE A 1 13 ? 4.319 2.573 2.013 1.00 98.04 13 A 1 ATOM 91 C C . PHE A 1 13 ? 4.984 2.950 0.688 1.00 98.12 13 A 1 ATOM 92 O O . PHE A 1 13 ? 6.179 3.241 0.661 1.00 97.62 13 A 1 ATOM 93 C CB . PHE A 1 13 ? 4.031 1.073 2.073 1.00 97.54 13 A 1 ATOM 94 C CG . PHE A 1 13 ? 5.288 0.248 1.942 1.00 96.22 13 A 1 ATOM 95 C CD1 . PHE A 1 13 ? 6.178 0.152 3.014 1.00 91.87 13 A 1 ATOM 96 C CD2 . PHE A 1 13 ? 5.584 -0.407 0.748 1.00 92.72 13 A 1 ATOM 97 C CE1 . PHE A 1 13 ? 7.351 -0.585 2.894 1.00 91.95 13 A 1 ATOM 98 C CE2 . PHE A 1 13 ? 6.763 -1.145 0.619 1.00 92.30 13 A 1 ATOM 99 C CZ . PHE A 1 13 ? 7.649 -1.235 1.691 1.00 92.61 13 A 1 ATOM 100 N N . MET A 1 14 ? 4.219 2.982 -0.403 1.00 98.27 14 A 1 ATOM 101 C CA . MET A 1 14 ? 4.755 3.361 -1.715 1.00 98.14 14 A 1 ATOM 102 C C . MET A 1 14 ? 5.281 4.796 -1.713 1.00 98.33 14 A 1 ATOM 103 O O . MET A 1 14 ? 6.340 5.072 -2.271 1.00 97.92 14 A 1 ATOM 104 C CB . MET A 1 14 ? 3.673 3.209 -2.789 1.00 97.73 14 A 1 ATOM 105 C CG . MET A 1 14 ? 3.433 1.748 -3.157 1.00 92.49 14 A 1 ATOM 106 S SD . MET A 1 14 ? 2.204 1.560 -4.463 1.00 85.85 14 A 1 ATOM 107 C CE . MET A 1 14 ? 2.291 -0.210 -4.712 1.00 76.99 14 A 1 ATOM 108 N N . SER A 1 15 ? 4.551 5.700 -1.079 1.00 98.40 15 A 1 ATOM 109 C CA . SER A 1 15 ? 4.962 7.099 -0.988 1.00 98.41 15 A 1 ATOM 110 C C . SER A 1 15 ? 6.257 7.234 -0.188 1.00 98.48 15 A 1 ATOM 111 O O . SER A 1 15 ? 7.164 7.963 -0.584 1.00 97.92 15 A 1 ATOM 112 C CB . SER A 1 15 ? 3.850 7.925 -0.344 1.00 98.05 15 A 1 ATOM 113 O OG . SER A 1 15 ? 4.197 9.293 -0.340 1.00 91.36 15 A 1 ATOM 114 N N . PHE A 1 16 ? 6.357 6.518 0.926 1.00 98.16 16 A 1 ATOM 115 C CA . PHE A 1 16 ? 7.550 6.560 1.760 1.00 98.04 16 A 1 ATOM 116 C C . PHE A 1 16 ? 8.732 5.891 1.061 1.00 98.13 16 A 1 ATOM 117 O O . PHE A 1 16 ? 9.847 6.408 1.115 1.00 97.78 16 A 1 ATOM 118 C CB . PHE A 1 16 ? 7.254 5.898 3.106 1.00 97.70 16 A 1 ATOM 119 C CG . PHE A 1 16 ? 8.206 6.339 4.182 1.00 96.54 16 A 1 ATOM 120 C CD1 . PHE A 1 16 ? 8.057 7.586 4.782 1.00 92.05 16 A 1 ATOM 121 C CD2 . PHE A 1 16 ? 9.252 5.510 4.581 1.00 93.39 16 A 1 ATOM 122 C CE1 . PHE A 1 16 ? 8.940 8.005 5.770 1.00 92.76 16 A 1 ATOM 123 C CE2 . PHE A 1 16 ? 10.145 5.922 5.568 1.00 93.29 16 A 1 ATOM 124 C CZ . PHE A 1 16 ? 9.987 7.172 6.163 1.00 93.19 16 A 1 ATOM 125 N N . ASP A 1 17 ? 8.485 4.780 0.369 1.00 98.12 17 A 1 ATOM 126 C CA . ASP A 1 17 ? 9.527 4.069 -0.376 1.00 98.21 17 A 1 ATOM 127 C C . ASP A 1 17 ? 10.121 4.949 -1.478 1.00 98.27 17 A 1 ATOM 128 O O . ASP A 1 17 ? 11.332 4.948 -1.699 1.00 97.68 17 A 1 ATOM 129 C CB . ASP A 1 17 ? 8.936 2.790 -0.968 1.00 97.78 17 A 1 ATOM 130 C CG . ASP A 1 17 ? 10.020 1.836 -1.421 1.00 94.90 17 A 1 ATOM 131 O OD1 . ASP A 1 17 ? 10.299 1.801 -2.628 1.00 88.60 17 A 1 ATOM 132 O OD2 . ASP A 1 17 ? 10.572 1.124 -0.563 1.00 88.87 17 A 1 ATOM 133 N N . GLN A 1 18 ? 9.288 5.747 -2.148 1.00 98.52 18 A 1 ATOM 134 C CA . GLN A 1 18 ? 9.757 6.678 -3.179 1.00 98.47 18 A 1 ATOM 135 C C . GLN A 1 18 ? 10.595 7.811 -2.593 1.00 98.47 18 A 1 ATOM 136 O O . GLN A 1 18 ? 11.459 8.355 -3.281 1.00 97.47 18 A 1 ATOM 137 C CB . GLN A 1 18 ? 8.564 7.261 -3.934 1.00 98.12 18 A 1 ATOM 138 C CG . GLN A 1 18 ? 7.975 6.265 -4.924 1.00 94.62 18 A 1 ATOM 139 C CD . GLN A 1 18 ? 6.914 6.906 -5.795 1.00 90.50 18 A 1 ATOM 140 O OE1 . GLN A 1 18 ? 5.980 7.530 -5.317 1.00 86.19 18 A 1 ATOM 141 N NE2 . GLN A 1 18 ? 7.041 6.784 -7.101 1.00 83.45 18 A 1 ATOM 142 N N . VAL A 1 19 ? 10.329 8.189 -1.352 1.00 98.05 19 A 1 ATOM 143 C CA . VAL A 1 19 ? 11.071 9.272 -0.697 1.00 97.96 19 A 1 ATOM 144 C C . VAL A 1 19 ? 12.413 8.769 -0.161 1.00 98.01 19 A 1 ATOM 145 O O . VAL A 1 19 ? 13.424 9.463 -0.285 1.00 97.18 19 A 1 ATOM 146 C CB . VAL A 1 19 ? 10.229 9.902 0.434 1.00 97.31 19 A 1 ATOM 147 C CG1 . VAL A 1 19 ? 11.039 10.926 1.227 1.00 93.75 19 A 1 ATOM 148 C CG2 . VAL A 1 19 ? 8.997 10.595 -0.136 1.00 93.12 19 A 1 ATOM 149 N N . LEU A 1 20 ? 12.425 7.585 0.445 1.00 97.26 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 13.645 7.037 1.045 1.00 96.84 20 A 1 ATOM 151 C C . LEU A 1 20 ? 14.479 6.213 0.060 1.00 96.50 20 A 1 ATOM 152 O O . LEU A 1 20 ? 15.687 6.059 0.267 1.00 95.35 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 13.271 6.214 2.291 1.00 96.05 20 A 1 ATOM 154 C CG . LEU A 1 20 ? 12.643 4.841 2.002 1.00 92.60 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? 13.698 3.734 1.991 1.00 86.28 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? 11.604 4.501 3.065 1.00 84.05 20 A 1 ATOM 157 N N . GLY A 1 21 ? 13.843 5.688 -0.998 1.00 91.58 21 A 1 ATOM 158 C CA . GLY A 1 21 ? 14.490 4.811 -1.959 1.00 87.71 21 A 1 ATOM 159 C C . GLY A 1 21 ? 14.569 5.387 -3.364 1.00 82.75 21 A 1 ATOM 160 O O . GLY A 1 21 ? 13.667 6.153 -3.753 1.00 77.63 21 A 1 ATOM 161 O OXT . GLY A 1 21 ? 15.510 5.013 -4.106 1.00 81.40 21 A 1 #