# 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_spkb40804 # _entry.id spkb40804 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ALA 2 1 n SER 3 1 n LEU 4 1 n PHE 5 1 n TRP 6 1 n SER 7 1 n TYR 8 1 n LEU 9 1 n PRO 10 1 n ALA 11 1 n ILE 12 1 n TRP 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n SER 17 1 n GLN 18 1 n LEU 19 1 n LEU 20 1 n ARG 21 1 n GLU 22 1 n SER 23 1 n LEU 24 1 n ALA 25 # _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 11:53:33)" _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 93.39 _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 79.44 1 1 A ALA 2 2 89.34 1 2 A SER 3 2 90.53 1 3 A LEU 4 2 90.58 1 4 A PHE 5 2 92.18 1 5 A TRP 6 2 93.53 1 6 A SER 7 2 95.89 1 7 A TYR 8 2 94.28 1 8 A LEU 9 2 95.70 1 9 A PRO 10 2 97.81 1 10 A ALA 11 2 98.30 1 11 A ILE 12 2 96.26 1 12 A TRP 13 2 94.73 1 13 A LEU 14 2 96.48 1 14 A LEU 15 2 96.22 1 15 A LEU 16 2 95.54 1 16 A SER 17 2 96.99 1 17 A GLN 18 2 92.85 1 18 A LEU 19 2 95.80 1 19 A LEU 20 2 95.69 1 20 A ARG 21 2 87.46 1 21 A GLU 22 2 92.97 1 22 A SER 23 2 94.91 1 23 A LEU 24 2 94.05 1 24 A ALA 25 2 89.54 1 25 # _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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -0.167 19.161 11.597 1.00 85.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.517 19.045 10.297 1.00 87.52 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.492 17.613 9.758 1.00 87.94 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.155 17.312 8.768 1.00 86.10 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.967 19.506 10.428 1.00 80.62 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.071 20.982 10.755 1.00 74.76 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.776 21.515 10.910 1.00 70.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.524 23.263 11.190 1.00 62.20 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.269 16.740 10.404 1.00 87.33 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -0.358 15.343 9.987 1.00 90.42 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.337 15.142 8.835 1.00 91.94 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.509 14.022 8.356 1.00 89.86 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.765 14.477 11.175 1.00 87.13 2 A 1 ATOM 14 N N . SER A 1 3 ? -1.977 16.214 8.393 1.00 92.44 3 A 1 ATOM 15 C CA . SER A 1 3 ? -2.961 16.129 7.311 1.00 94.00 3 A 1 ATOM 16 C C . SER A 1 3 ? -2.339 15.576 6.032 1.00 95.06 3 A 1 ATOM 17 O O . SER A 1 3 ? -2.933 14.738 5.354 1.00 92.28 3 A 1 ATOM 18 C CB . SER A 1 3 ? -3.566 17.501 7.046 1.00 90.59 3 A 1 ATOM 19 O OG . SER A 1 3 ? -4.538 17.416 6.034 1.00 78.80 3 A 1 ATOM 20 N N . LEU A 1 4 ? -1.126 16.019 5.705 1.00 94.19 4 A 1 ATOM 21 C CA . LEU A 1 4 ? -0.437 15.544 4.507 1.00 94.92 4 A 1 ATOM 22 C C . LEU A 1 4 ? -0.107 14.061 4.627 1.00 95.85 4 A 1 ATOM 23 O O . LEU A 1 4 ? -0.258 13.304 3.669 1.00 95.10 4 A 1 ATOM 24 C CB . LEU A 1 4 ? 0.842 16.346 4.275 1.00 94.00 4 A 1 ATOM 25 C CG . LEU A 1 4 ? 0.605 17.819 3.943 1.00 87.83 4 A 1 ATOM 26 C CD1 . LEU A 1 4 ? 1.932 18.554 3.879 1.00 82.01 4 A 1 ATOM 27 C CD2 . LEU A 1 4 ? -0.135 17.956 2.619 1.00 80.77 4 A 1 ATOM 28 N N . PHE A 1 5 ? 0.339 13.632 5.804 1.00 95.84 5 A 1 ATOM 29 C CA . PHE A 1 5 ? 0.669 12.228 6.043 1.00 95.98 5 A 1 ATOM 30 C C . PHE A 1 5 ? -0.563 11.351 5.860 1.00 96.80 5 A 1 ATOM 31 O O . PHE A 1 5 ? -0.486 10.283 5.248 1.00 96.82 5 A 1 ATOM 32 C CB . PHE A 1 5 ? 1.236 12.051 7.445 1.00 95.20 5 A 1 ATOM 33 C CG . PHE A 1 5 ? 1.687 10.639 7.708 1.00 92.61 5 A 1 ATOM 34 C CD1 . PHE A 1 5 ? 2.892 10.185 7.208 1.00 89.29 5 A 1 ATOM 35 C CD2 . PHE A 1 5 ? 0.891 9.775 8.438 1.00 89.53 5 A 1 ATOM 36 C CE1 . PHE A 1 5 ? 3.310 8.884 7.438 1.00 86.96 5 A 1 ATOM 37 C CE2 . PHE A 1 5 ? 1.301 8.465 8.668 1.00 87.71 5 A 1 ATOM 38 C CZ . PHE A 1 5 ? 2.511 8.022 8.167 1.00 87.23 5 A 1 ATOM 39 N N . TRP A 1 6 ? -1.710 11.789 6.388 1.00 97.29 6 A 1 ATOM 40 C CA . TRP A 1 6 ? -2.959 11.046 6.236 1.00 97.35 6 A 1 ATOM 41 C C . TRP A 1 6 ? -3.356 10.941 4.771 1.00 97.60 6 A 1 ATOM 42 O O . TRP A 1 6 ? -3.912 9.928 4.350 1.00 97.23 6 A 1 ATOM 43 C CB . TRP A 1 6 ? -4.075 11.708 7.045 1.00 96.75 6 A 1 ATOM 44 C CG . TRP A 1 6 ? -4.156 11.181 8.437 1.00 94.61 6 A 1 ATOM 45 C CD1 . TRP A 1 6 ? -3.628 11.751 9.547 1.00 91.79 6 A 1 ATOM 46 C CD2 . TRP A 1 6 ? -4.800 9.975 8.864 1.00 93.60 6 A 1 ATOM 47 N NE1 . TRP A 1 6 ? -3.906 10.970 10.647 1.00 91.31 6 A 1 ATOM 48 C CE2 . TRP A 1 6 ? -4.630 9.870 10.256 1.00 92.84 6 A 1 ATOM 49 C CE3 . TRP A 1 6 ? -5.514 8.974 8.205 1.00 91.27 6 A 1 ATOM 50 C CZ2 . TRP A 1 6 ? -5.142 8.805 10.993 1.00 90.87 6 A 1 ATOM 51 C CZ3 . TRP A 1 6 ? -6.024 7.913 8.935 1.00 88.45 6 A 1 ATOM 52 C CH2 . TRP A 1 6 ? -5.835 7.831 10.316 1.00 88.42 6 A 1 ATOM 53 N N . SER A 1 7 ? -3.057 11.959 3.983 1.00 97.80 7 A 1 ATOM 54 C CA . SER A 1 7 ? -3.343 11.939 2.552 1.00 97.71 7 A 1 ATOM 55 C C . SER A 1 7 ? -2.439 10.946 1.826 1.00 97.96 7 A 1 ATOM 56 O O . SER A 1 7 ? -2.831 10.373 0.810 1.00 97.12 7 A 1 ATOM 57 C CB . SER A 1 7 ? -3.168 13.330 1.959 1.00 96.78 7 A 1 ATOM 58 O OG . SER A 1 7 ? -4.096 14.231 2.539 1.00 87.96 7 A 1 ATOM 59 N N . TYR A 1 8 ? -1.233 10.731 2.347 1.00 97.62 8 A 1 ATOM 60 C CA . TYR A 1 8 ? -0.278 9.812 1.733 1.00 97.75 8 A 1 ATOM 61 C C . TYR A 1 8 ? -0.516 8.361 2.156 1.00 97.94 8 A 1 ATOM 62 O O . TYR A 1 8 ? -0.053 7.440 1.477 1.00 97.50 8 A 1 ATOM 63 C CB . TYR A 1 8 ? 1.152 10.206 2.105 1.00 97.35 8 A 1 ATOM 64 C CG . TYR A 1 8 ? 1.561 11.585 1.634 1.00 95.51 8 A 1 ATOM 65 C CD1 . TYR A 1 8 ? 1.018 12.145 0.480 1.00 92.37 8 A 1 ATOM 66 C CD2 . TYR A 1 8 ? 2.510 12.314 2.340 1.00 92.53 8 A 1 ATOM 67 C CE1 . TYR A 1 8 ? 1.403 13.403 0.048 1.00 90.59 8 A 1 ATOM 68 C CE2 . TYR A 1 8 ? 2.905 13.569 1.914 1.00 90.98 8 A 1 ATOM 69 C CZ . TYR A 1 8 ? 2.346 14.109 0.770 1.00 91.41 8 A 1 ATOM 70 O OH . TYR A 1 8 ? 2.733 15.360 0.345 1.00 89.85 8 A 1 ATOM 71 N N . LEU A 1 9 ? -1.231 8.136 3.260 1.00 97.90 9 A 1 ATOM 72 C CA . LEU A 1 9 ? -1.482 6.788 3.765 1.00 97.82 9 A 1 ATOM 73 C C . LEU A 1 9 ? -2.054 5.840 2.710 1.00 97.93 9 A 1 ATOM 74 O O . LEU A 1 9 ? -1.572 4.711 2.598 1.00 97.77 9 A 1 ATOM 75 C CB . LEU A 1 9 ? -2.405 6.840 4.984 1.00 97.38 9 A 1 ATOM 76 C CG . LEU A 1 9 ? -1.687 7.131 6.295 1.00 93.83 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? -2.699 7.300 7.418 1.00 91.52 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? -0.716 6.013 6.629 1.00 91.44 9 A 1 ATOM 79 N N . PRO A 1 10 ? -3.073 6.242 1.934 1.00 98.27 10 A 1 ATOM 80 C CA . PRO A 1 10 ? -3.630 5.336 0.915 1.00 98.18 10 A 1 ATOM 81 C C . PRO A 1 10 ? -2.581 4.866 -0.081 1.00 98.33 10 A 1 ATOM 82 O O . PRO A 1 10 ? -2.514 3.676 -0.402 1.00 98.00 10 A 1 ATOM 83 C CB . PRO A 1 10 ? -4.712 6.182 0.224 1.00 97.48 10 A 1 ATOM 84 C CG . PRO A 1 10 ? -5.061 7.236 1.222 1.00 96.60 10 A 1 ATOM 85 C CD . PRO A 1 10 ? -3.793 7.509 1.987 1.00 97.79 10 A 1 ATOM 86 N N . ALA A 1 11 ? -1.753 5.779 -0.579 1.00 98.41 11 A 1 ATOM 87 C CA . ALA A 1 11 ? -0.721 5.425 -1.549 1.00 98.42 11 A 1 ATOM 88 C C . ALA A 1 11 ? 0.359 4.553 -0.914 1.00 98.48 11 A 1 ATOM 89 O O . ALA A 1 11 ? 0.786 3.555 -1.495 1.00 98.08 11 A 1 ATOM 90 C CB . ALA A 1 11 ? -0.107 6.693 -2.134 1.00 98.12 11 A 1 ATOM 91 N N . ILE A 1 12 ? 0.791 4.916 0.286 1.00 98.25 12 A 1 ATOM 92 C CA . ILE A 1 12 ? 1.818 4.153 0.992 1.00 98.07 12 A 1 ATOM 93 C C . ILE A 1 12 ? 1.300 2.755 1.320 1.00 98.20 12 A 1 ATOM 94 O O . ILE A 1 12 ? 2.015 1.763 1.163 1.00 97.95 12 A 1 ATOM 95 C CB . ILE A 1 12 ? 2.255 4.886 2.271 1.00 97.67 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? 2.950 6.206 1.909 1.00 95.43 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? 3.202 4.004 3.089 1.00 94.71 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? 3.176 7.105 3.108 1.00 89.80 12 A 1 ATOM 99 N N . TRP A 1 13 ? 0.058 2.658 1.778 1.00 98.02 13 A 1 ATOM 100 C CA . TRP A 1 13 ? -0.550 1.372 2.113 1.00 98.03 13 A 1 ATOM 101 C C . TRP A 1 13 ? -0.613 0.466 0.890 1.00 98.22 13 A 1 ATOM 102 O O . TRP A 1 13 ? -0.296 -0.725 0.976 1.00 98.03 13 A 1 ATOM 103 C CB . TRP A 1 13 ? -1.951 1.584 2.683 1.00 97.82 13 A 1 ATOM 104 C CG . TRP A 1 13 ? -2.659 0.298 2.956 1.00 96.55 13 A 1 ATOM 105 C CD1 . TRP A 1 13 ? -3.741 -0.185 2.285 1.00 93.36 13 A 1 ATOM 106 C CD2 . TRP A 1 13 ? -2.330 -0.683 3.944 1.00 94.65 13 A 1 ATOM 107 N NE1 . TRP A 1 13 ? -4.106 -1.404 2.801 1.00 91.49 13 A 1 ATOM 108 C CE2 . TRP A 1 13 ? -3.262 -1.743 3.825 1.00 93.58 13 A 1 ATOM 109 C CE3 . TRP A 1 13 ? -1.337 -0.778 4.925 1.00 92.52 13 A 1 ATOM 110 C CZ2 . TRP A 1 13 ? -3.218 -2.868 4.651 1.00 93.07 13 A 1 ATOM 111 C CZ3 . TRP A 1 13 ? -1.297 -1.898 5.747 1.00 90.56 13 A 1 ATOM 112 C CH2 . TRP A 1 13 ? -2.231 -2.931 5.605 1.00 90.32 13 A 1 ATOM 113 N N . LEU A 1 14 ? -1.013 1.008 -0.251 1.00 98.44 14 A 1 ATOM 114 C CA . LEU A 1 14 ? -1.092 0.226 -1.479 1.00 98.37 14 A 1 ATOM 115 C C . LEU A 1 14 ? 0.287 -0.281 -1.889 1.00 98.45 14 A 1 ATOM 116 O O . LEU A 1 14 ? 0.431 -1.434 -2.293 1.00 98.31 14 A 1 ATOM 117 C CB . LEU A 1 14 ? -1.699 1.068 -2.601 1.00 98.25 14 A 1 ATOM 118 C CG . LEU A 1 14 ? -3.197 1.329 -2.435 1.00 94.06 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? -3.673 2.336 -3.470 1.00 92.57 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? -3.982 0.028 -2.574 1.00 93.41 14 A 1 ATOM 121 N N . LEU A 1 15 ? 1.300 0.563 -1.780 1.00 98.32 15 A 1 ATOM 122 C CA . LEU A 1 15 ? 2.661 0.164 -2.125 1.00 98.19 15 A 1 ATOM 123 C C . LEU A 1 15 ? 3.145 -0.958 -1.212 1.00 98.29 15 A 1 ATOM 124 O O . LEU A 1 15 ? 3.738 -1.931 -1.681 1.00 98.08 15 A 1 ATOM 125 C CB . LEU A 1 15 ? 3.602 1.366 -2.025 1.00 98.07 15 A 1 ATOM 126 C CG . LEU A 1 15 ? 3.392 2.411 -3.120 1.00 94.38 15 A 1 ATOM 127 C CD1 . LEU A 1 15 ? 4.211 3.659 -2.821 1.00 91.62 15 A 1 ATOM 128 C CD2 . LEU A 1 15 ? 3.791 1.844 -4.481 1.00 92.82 15 A 1 ATOM 129 N N . LEU A 1 16 ? 2.885 -0.835 0.078 1.00 98.18 16 A 1 ATOM 130 C CA . LEU A 1 16 ? 3.288 -1.864 1.031 1.00 98.07 16 A 1 ATOM 131 C C . LEU A 1 16 ? 2.558 -3.174 0.751 1.00 98.17 16 A 1 ATOM 132 O O . LEU A 1 16 ? 3.161 -4.249 0.797 1.00 98.00 16 A 1 ATOM 133 C CB . LEU A 1 16 ? 2.995 -1.398 2.458 1.00 97.75 16 A 1 ATOM 134 C CG . LEU A 1 16 ? 3.890 -0.262 2.943 1.00 92.76 16 A 1 ATOM 135 C CD1 . LEU A 1 16 ? 3.398 0.260 4.286 1.00 90.25 16 A 1 ATOM 136 C CD2 . LEU A 1 16 ? 5.336 -0.736 3.068 1.00 91.17 16 A 1 ATOM 137 N N . SER A 1 17 ? 1.269 -3.098 0.453 1.00 98.33 17 A 1 ATOM 138 C CA . SER A 1 17 ? 0.481 -4.286 0.151 1.00 98.23 17 A 1 ATOM 139 C C . SER A 1 17 ? 0.985 -4.965 -1.119 1.00 98.24 17 A 1 ATOM 140 O O . SER A 1 17 ? 1.063 -6.190 -1.186 1.00 97.72 17 A 1 ATOM 141 C CB . SER A 1 17 ? -0.992 -3.920 -0.005 1.00 97.85 17 A 1 ATOM 142 O OG . SER A 1 17 ? -1.503 -3.414 1.216 1.00 91.59 17 A 1 ATOM 143 N N . GLN A 1 18 ? 1.332 -4.177 -2.120 1.00 98.27 18 A 1 ATOM 144 C CA . GLN A 1 18 ? 1.860 -4.717 -3.371 1.00 98.25 18 A 1 ATOM 145 C C . GLN A 1 18 ? 3.178 -5.441 -3.128 1.00 98.43 18 A 1 ATOM 146 O O . GLN A 1 18 ? 3.374 -6.562 -3.598 1.00 98.04 18 A 1 ATOM 147 C CB . GLN A 1 18 ? 2.055 -3.593 -4.392 1.00 98.10 18 A 1 ATOM 148 C CG . GLN A 1 18 ? 0.745 -3.078 -4.963 1.00 93.07 18 A 1 ATOM 149 C CD . GLN A 1 18 ? 0.100 -4.103 -5.888 1.00 87.39 18 A 1 ATOM 150 O OE1 . GLN A 1 18 ? -0.851 -4.777 -5.524 1.00 82.94 18 A 1 ATOM 151 N NE2 . GLN A 1 18 ? 0.625 -4.236 -7.086 1.00 81.14 18 A 1 ATOM 152 N N . LEU A 1 19 ? 4.081 -4.812 -2.384 1.00 98.30 19 A 1 ATOM 153 C CA . LEU A 1 19 ? 5.374 -5.422 -2.081 1.00 98.22 19 A 1 ATOM 154 C C . LEU A 1 19 ? 5.193 -6.713 -1.289 1.00 98.31 19 A 1 ATOM 155 O O . LEU A 1 19 ? 5.854 -7.715 -1.563 1.00 98.06 19 A 1 ATOM 156 C CB . LEU A 1 19 ? 6.242 -4.438 -1.291 1.00 98.09 19 A 1 ATOM 157 C CG . LEU A 1 19 ? 6.713 -3.231 -2.101 1.00 93.96 19 A 1 ATOM 158 C CD1 . LEU A 1 19 ? 7.356 -2.199 -1.186 1.00 89.83 19 A 1 ATOM 159 C CD2 . LEU A 1 19 ? 7.704 -3.669 -3.175 1.00 91.59 19 A 1 ATOM 160 N N . LEU A 1 20 ? 4.290 -6.699 -0.318 1.00 98.34 20 A 1 ATOM 161 C CA . LEU A 1 20 ? 4.031 -7.882 0.500 1.00 98.19 20 A 1 ATOM 162 C C . LEU A 1 20 ? 3.465 -9.016 -0.347 1.00 98.22 20 A 1 ATOM 163 O O . LEU A 1 20 ? 3.909 -10.160 -0.241 1.00 97.91 20 A 1 ATOM 164 C CB . LEU A 1 20 ? 3.058 -7.532 1.627 1.00 97.96 20 A 1 ATOM 165 C CG . LEU A 1 20 ? 2.822 -8.674 2.615 1.00 94.52 20 A 1 ATOM 166 C CD1 . LEU A 1 20 ? 4.081 -8.962 3.423 1.00 89.79 20 A 1 ATOM 167 C CD2 . LEU A 1 20 ? 1.674 -8.328 3.551 1.00 90.63 20 A 1 ATOM 168 N N . ARG A 1 21 ? 2.494 -8.717 -1.193 1.00 98.13 21 A 1 ATOM 169 C CA . ARG A 1 21 ? 1.879 -9.732 -2.045 1.00 98.12 21 A 1 ATOM 170 C C . ARG A 1 21 ? 2.868 -10.276 -3.060 1.00 98.05 21 A 1 ATOM 171 O O . ARG A 1 21 ? 2.911 -11.479 -3.304 1.00 96.77 21 A 1 ATOM 172 C CB . ARG A 1 21 ? 0.649 -9.159 -2.753 1.00 97.35 21 A 1 ATOM 173 C CG . ARG A 1 21 ? -0.539 -9.071 -1.812 1.00 90.55 21 A 1 ATOM 174 C CD . ARG A 1 21 ? -1.778 -8.590 -2.539 1.00 86.97 21 A 1 ATOM 175 N NE . ARG A 1 21 ? -1.695 -7.167 -2.854 1.00 80.97 21 A 1 ATOM 176 C CZ . ARG A 1 21 ? -2.649 -6.493 -3.486 1.00 76.05 21 A 1 ATOM 177 N NH1 . ARG A 1 21 ? -3.749 -7.099 -3.901 1.00 70.08 21 A 1 ATOM 178 N NH2 . ARG A 1 21 ? -2.503 -5.203 -3.714 1.00 69.06 21 A 1 ATOM 179 N N . GLU A 1 22 ? 3.675 -9.400 -3.646 1.00 98.19 22 A 1 ATOM 180 C CA . GLU A 1 22 ? 4.675 -9.834 -4.620 1.00 98.03 22 A 1 ATOM 181 C C . GLU A 1 22 ? 5.703 -10.751 -3.971 1.00 98.22 22 A 1 ATOM 182 O O . GLU A 1 22 ? 6.188 -11.695 -4.595 1.00 97.32 22 A 1 ATOM 183 C CB . GLU A 1 22 ? 5.376 -8.615 -5.237 1.00 97.32 22 A 1 ATOM 184 C CG . GLU A 1 22 ? 4.461 -7.817 -6.167 1.00 93.27 22 A 1 ATOM 185 C CD . GLU A 1 22 ? 4.102 -8.631 -7.404 1.00 88.56 22 A 1 ATOM 186 O OE1 . GLU A 1 22 ? 5.016 -9.227 -7.996 1.00 82.75 22 A 1 ATOM 187 O OE2 . GLU A 1 22 ? 2.920 -8.676 -7.773 1.00 83.04 22 A 1 ATOM 188 N N . SER A 1 23 ? 6.034 -10.483 -2.724 1.00 97.54 23 A 1 ATOM 189 C CA . SER A 1 23 ? 7.004 -11.300 -1.998 1.00 97.42 23 A 1 ATOM 190 C C . SER A 1 23 ? 6.424 -12.670 -1.648 1.00 97.47 23 A 1 ATOM 191 O O . SER A 1 23 ? 7.124 -13.681 -1.722 1.00 95.63 23 A 1 ATOM 192 C CB . SER A 1 23 ? 7.447 -10.582 -0.725 1.00 96.60 23 A 1 ATOM 193 O OG . SER A 1 23 ? 8.430 -11.343 -0.050 1.00 84.78 23 A 1 ATOM 194 N N . LEU A 1 24 ? 5.148 -12.718 -1.272 1.00 97.55 24 A 1 ATOM 195 C CA . LEU A 1 24 ? 4.490 -13.968 -0.885 1.00 97.33 24 A 1 ATOM 196 C C . LEU A 1 24 ? 4.006 -14.765 -2.090 1.00 97.19 24 A 1 ATOM 197 O O . LEU A 1 24 ? 3.952 -15.994 -2.039 1.00 95.63 24 A 1 ATOM 198 C CB . LEU A 1 24 ? 3.310 -13.665 0.043 1.00 96.55 24 A 1 ATOM 199 C CG . LEU A 1 24 ? 3.709 -13.070 1.395 1.00 93.33 24 A 1 ATOM 200 C CD1 . LEU A 1 24 ? 2.470 -12.669 2.181 1.00 88.31 24 A 1 ATOM 201 C CD2 . LEU A 1 24 ? 4.532 -14.071 2.197 1.00 86.50 24 A 1 ATOM 202 N N . ALA A 1 25 ? 3.635 -14.074 -3.162 1.00 95.49 25 A 1 ATOM 203 C CA . ALA A 1 25 ? 3.118 -14.718 -4.360 1.00 94.24 25 A 1 ATOM 204 C C . ALA A 1 25 ? 4.218 -15.440 -5.140 1.00 90.99 25 A 1 ATOM 205 O O . ALA A 1 25 ? 5.409 -15.184 -4.910 1.00 85.45 25 A 1 ATOM 206 C CB . ALA A 1 25 ? 2.417 -13.694 -5.244 1.00 90.48 25 A 1 ATOM 207 O OXT . ALA A 1 25 ? 3.891 -16.275 -5.991 1.00 80.57 25 A 1 #