# 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_spkb23689 # _entry.id spkb23689 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" "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 ALA 2 1 n HIS 3 1 n ILE 4 1 n THR 5 1 n SER 6 1 n TRP 7 1 n HIS 8 1 n TYR 9 1 n GLY 10 1 n ASN 11 1 n ALA 12 1 n ILE 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n VAL 17 1 n SER 18 1 n LEU 19 1 n ALA 20 1 n PRO 21 1 n GLY 22 1 n ALA 23 1 n LEU 24 1 n SER 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 @ 2025-07-07 19:32:22)" _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 87.07 _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 79.19 1 1 A ALA 2 2 86.16 1 2 A HIS 3 2 81.93 1 3 A ILE 4 2 88.69 1 4 A THR 5 2 89.39 1 5 A SER 6 2 90.16 1 6 A TRP 7 2 86.94 1 7 A HIS 8 2 87.63 1 8 A TYR 9 2 87.66 1 9 A GLY 10 2 91.84 1 10 A ASN 11 2 90.35 1 11 A ALA 12 2 92.69 1 12 A ILE 13 2 89.24 1 13 A ALA 14 2 92.98 1 14 A LEU 15 2 90.63 1 15 A LEU 16 2 90.30 1 16 A VAL 17 2 91.88 1 17 A SER 18 2 91.64 1 18 A LEU 19 2 91.37 1 19 A ALA 20 2 91.54 1 20 A PRO 21 2 89.78 1 21 A GLY 22 2 83.72 1 22 A ALA 23 2 82.25 1 23 A LEU 24 2 75.83 1 24 A SER 25 2 69.51 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 HIS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n SER . 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 ? -6.968 8.992 -11.806 1.00 83.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.345 7.657 -11.776 1.00 87.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.289 7.568 -10.684 1.00 87.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.110 6.519 -10.080 1.00 82.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.715 7.322 -13.134 1.00 80.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.767 6.985 -14.172 1.00 75.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.087 6.754 -15.821 1.00 72.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.032 5.328 -15.557 1.00 64.75 1 A 1 ATOM 9 N N . ALA A 1 2 ? -4.617 8.673 -10.445 1.00 83.33 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -3.573 8.702 -9.424 1.00 87.64 2 A 1 ATOM 11 C C . ALA A 1 2 ? -4.121 8.354 -8.044 1.00 89.08 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.479 7.642 -7.276 1.00 86.46 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -2.910 10.069 -9.399 1.00 84.29 2 A 1 ATOM 14 N N . HIS A 1 3 ? -5.326 8.845 -7.749 1.00 89.50 3 A 1 ATOM 15 C CA . HIS A 1 3 ? -5.949 8.602 -6.451 1.00 90.76 3 A 1 ATOM 16 C C . HIS A 1 3 ? -6.285 7.124 -6.249 1.00 91.91 3 A 1 ATOM 17 O O . HIS A 1 3 ? -5.975 6.547 -5.206 1.00 90.44 3 A 1 ATOM 18 C CB . HIS A 1 3 ? -7.182 9.509 -6.289 1.00 87.57 3 A 1 ATOM 19 C CG . HIS A 1 3 ? -8.477 8.767 -6.141 1.00 82.61 3 A 1 ATOM 20 N ND1 . HIS A 1 3 ? -8.923 8.286 -4.935 1.00 73.01 3 A 1 ATOM 21 C CD2 . HIS A 1 3 ? -9.407 8.423 -7.051 1.00 70.49 3 A 1 ATOM 22 C CE1 . HIS A 1 3 ? -10.088 7.675 -5.126 1.00 70.66 3 A 1 ATOM 23 N NE2 . HIS A 1 3 ? -10.414 7.745 -6.400 1.00 72.36 3 A 1 ATOM 24 N N . ILE A 1 4 ? -6.916 6.517 -7.242 1.00 91.38 4 A 1 ATOM 25 C CA . ILE A 1 4 ? -7.291 5.107 -7.153 1.00 92.31 4 A 1 ATOM 26 C C . ILE A 1 4 ? -6.058 4.215 -7.144 1.00 92.91 4 A 1 ATOM 27 O O . ILE A 1 4 ? -5.988 3.243 -6.391 1.00 91.88 4 A 1 ATOM 28 C CB . ILE A 1 4 ? -8.236 4.691 -8.298 1.00 91.03 4 A 1 ATOM 29 C CG1 . ILE A 1 4 ? -7.654 5.073 -9.659 1.00 87.33 4 A 1 ATOM 30 C CG2 . ILE A 1 4 ? -9.606 5.308 -8.095 1.00 85.18 4 A 1 ATOM 31 C CD1 . ILE A 1 4 ? -8.441 4.521 -10.831 1.00 77.51 4 A 1 ATOM 32 N N . THR A 1 5 ? -5.098 4.562 -7.982 1.00 92.15 5 A 1 ATOM 33 C CA . THR A 1 5 ? -3.857 3.798 -8.066 1.00 92.19 5 A 1 ATOM 34 C C . THR A 1 5 ? -3.097 3.879 -6.750 1.00 92.56 5 A 1 ATOM 35 O O . THR A 1 5 ? -2.622 2.867 -6.236 1.00 91.58 5 A 1 ATOM 36 C CB . THR A 1 5 ? -2.967 4.310 -9.203 1.00 90.80 5 A 1 ATOM 37 O OG1 . THR A 1 5 ? -3.694 4.294 -10.426 1.00 84.39 5 A 1 ATOM 38 C CG2 . THR A 1 5 ? -1.734 3.441 -9.360 1.00 82.09 5 A 1 ATOM 39 N N . SER A 1 6 ? -3.006 5.081 -6.206 1.00 92.50 6 A 1 ATOM 40 C CA . SER A 1 6 ? -2.325 5.305 -4.934 1.00 92.44 6 A 1 ATOM 41 C C . SER A 1 6 ? -3.029 4.565 -3.801 1.00 93.10 6 A 1 ATOM 42 O O . SER A 1 6 ? -2.384 3.999 -2.919 1.00 91.83 6 A 1 ATOM 43 C CB . SER A 1 6 ? -2.266 6.794 -4.622 1.00 90.75 6 A 1 ATOM 44 O OG . SER A 1 6 ? -1.539 7.024 -3.434 1.00 80.34 6 A 1 ATOM 45 N N . TRP A 1 7 ? -4.362 4.552 -3.853 1.00 92.99 7 A 1 ATOM 46 C CA . TRP A 1 7 ? -5.154 3.872 -2.837 1.00 93.18 7 A 1 ATOM 47 C C . TRP A 1 7 ? -4.892 2.370 -2.853 1.00 94.37 7 A 1 ATOM 48 O O . TRP A 1 7 ? -4.618 1.764 -1.811 1.00 93.45 7 A 1 ATOM 49 C CB . TRP A 1 7 ? -6.642 4.146 -3.058 1.00 92.10 7 A 1 ATOM 50 C CG . TRP A 1 7 ? -7.503 3.648 -1.944 1.00 88.31 7 A 1 ATOM 51 C CD1 . TRP A 1 7 ? -7.788 4.302 -0.790 1.00 84.82 7 A 1 ATOM 52 C CD2 . TRP A 1 7 ? -8.185 2.380 -1.861 1.00 86.44 7 A 1 ATOM 53 N NE1 . TRP A 1 7 ? -8.603 3.528 0.005 1.00 82.06 7 A 1 ATOM 54 C CE2 . TRP A 1 7 ? -8.866 2.343 -0.620 1.00 85.20 7 A 1 ATOM 55 C CE3 . TRP A 1 7 ? -8.287 1.279 -2.717 1.00 81.36 7 A 1 ATOM 56 C CZ2 . TRP A 1 7 ? -9.637 1.238 -0.227 1.00 84.19 7 A 1 ATOM 57 C CZ3 . TRP A 1 7 ? -9.050 0.175 -2.322 1.00 79.26 7 A 1 ATOM 58 C CH2 . TRP A 1 7 ? -9.718 0.164 -1.091 1.00 79.42 7 A 1 ATOM 59 N N . HIS A 1 8 ? -4.968 1.781 -4.036 1.00 93.24 8 A 1 ATOM 60 C CA . HIS A 1 8 ? -4.699 0.354 -4.184 1.00 93.47 8 A 1 ATOM 61 C C . HIS A 1 8 ? -3.254 0.035 -3.823 1.00 94.58 8 A 1 ATOM 62 O O . HIS A 1 8 ? -2.962 -1.005 -3.226 1.00 94.22 8 A 1 ATOM 63 C CB . HIS A 1 8 ? -4.991 -0.097 -5.618 1.00 92.07 8 A 1 ATOM 64 C CG . HIS A 1 8 ? -6.444 -0.370 -5.865 1.00 88.72 8 A 1 ATOM 65 N ND1 . HIS A 1 8 ? -7.091 -1.497 -5.421 1.00 79.80 8 A 1 ATOM 66 C CD2 . HIS A 1 8 ? -7.365 0.358 -6.533 1.00 79.02 8 A 1 ATOM 67 C CE1 . HIS A 1 8 ? -8.359 -1.440 -5.805 1.00 80.29 8 A 1 ATOM 68 N NE2 . HIS A 1 8 ? -8.561 -0.327 -6.483 1.00 80.86 8 A 1 ATOM 69 N N . TYR A 1 9 ? -2.364 0.939 -4.178 1.00 92.18 9 A 1 ATOM 70 C CA . TYR A 1 9 ? -0.949 0.777 -3.873 1.00 92.03 9 A 1 ATOM 71 C C . TYR A 1 9 ? -0.734 0.766 -2.363 1.00 92.60 9 A 1 ATOM 72 O O . TYR A 1 9 ? -0.016 -0.087 -1.836 1.00 92.11 9 A 1 ATOM 73 C CB . TYR A 1 9 ? -0.151 1.908 -4.522 1.00 91.03 9 A 1 ATOM 74 C CG . TYR A 1 9 ? 1.339 1.665 -4.513 1.00 88.00 9 A 1 ATOM 75 C CD1 . TYR A 1 9 ? 1.898 0.628 -5.248 1.00 85.29 9 A 1 ATOM 76 C CD2 . TYR A 1 9 ? 2.183 2.485 -3.776 1.00 84.62 9 A 1 ATOM 77 C CE1 . TYR A 1 9 ? 3.264 0.407 -5.249 1.00 83.62 9 A 1 ATOM 78 C CE2 . TYR A 1 9 ? 3.555 2.268 -3.770 1.00 83.84 9 A 1 ATOM 79 C CZ . TYR A 1 9 ? 4.088 1.228 -4.507 1.00 84.40 9 A 1 ATOM 80 O OH . TYR A 1 9 ? 5.446 1.013 -4.498 1.00 82.19 9 A 1 ATOM 81 N N . GLY A 1 10 ? -1.380 1.692 -1.682 1.00 91.75 10 A 1 ATOM 82 C CA . GLY A 1 10 ? -1.286 1.755 -0.230 1.00 91.16 10 A 1 ATOM 83 C C . GLY A 1 10 ? -1.852 0.514 0.426 1.00 92.44 10 A 1 ATOM 84 O O . GLY A 1 10 ? -1.294 0.005 1.402 1.00 92.01 10 A 1 ATOM 85 N N . ASN A 1 11 ? -2.947 0.014 -0.123 1.00 92.25 11 A 1 ATOM 86 C CA . ASN A 1 11 ? -3.564 -1.206 0.380 1.00 92.81 11 A 1 ATOM 87 C C . ASN A 1 11 ? -2.632 -2.394 0.200 1.00 93.65 11 A 1 ATOM 88 O O . ASN A 1 11 ? -2.496 -3.233 1.094 1.00 93.22 11 A 1 ATOM 89 C CB . ASN A 1 11 ? -4.887 -1.473 -0.344 1.00 91.64 11 A 1 ATOM 90 C CG . ASN A 1 11 ? -5.627 -2.645 0.257 1.00 89.23 11 A 1 ATOM 91 O OD1 . ASN A 1 11 ? -5.968 -2.644 1.431 1.00 85.49 11 A 1 ATOM 92 N ND2 . ASN A 1 11 ? -5.876 -3.669 -0.538 1.00 84.55 11 A 1 ATOM 93 N N . ALA A 1 12 ? -1.986 -2.456 -0.960 1.00 92.70 12 A 1 ATOM 94 C CA . ALA A 1 12 ? -1.032 -3.519 -1.245 1.00 92.82 12 A 1 ATOM 95 C C . ALA A 1 12 ? 0.135 -3.471 -0.268 1.00 93.55 12 A 1 ATOM 96 O O . ALA A 1 12 ? 0.588 -4.507 0.222 1.00 92.41 12 A 1 ATOM 97 C CB . ALA A 1 12 ? -0.526 -3.397 -2.679 1.00 91.98 12 A 1 ATOM 98 N N . ILE A 1 13 ? 0.597 -2.279 0.020 1.00 91.35 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 1.684 -2.085 0.975 1.00 90.67 13 A 1 ATOM 100 C C . ILE A 1 13 ? 1.255 -2.559 2.357 1.00 91.07 13 A 1 ATOM 101 O O . ILE A 1 13 ? 2.009 -3.245 3.051 1.00 90.74 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 2.122 -0.613 1.025 1.00 90.04 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 2.764 -0.203 -0.305 1.00 88.67 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 3.109 -0.388 2.172 1.00 88.09 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 3.015 1.284 -0.423 1.00 83.27 13 A 1 ATOM 106 N N . ALA A 1 14 ? 0.038 -2.211 2.740 1.00 93.29 14 A 1 ATOM 107 C CA . ALA A 1 14 ? -0.497 -2.622 4.032 1.00 92.98 14 A 1 ATOM 108 C C . ALA A 1 14 ? -0.535 -4.144 4.148 1.00 93.75 14 A 1 ATOM 109 O O . ALA A 1 14 ? -0.214 -4.705 5.199 1.00 92.74 14 A 1 ATOM 110 C CB . ALA A 1 14 ? -1.894 -2.043 4.227 1.00 92.16 14 A 1 ATOM 111 N N . LEU A 1 15 ? -0.915 -4.801 3.063 1.00 93.17 15 A 1 ATOM 112 C CA . LEU A 1 15 ? -0.947 -6.258 3.023 1.00 92.85 15 A 1 ATOM 113 C C . LEU A 1 15 ? 0.459 -6.828 3.171 1.00 93.84 15 A 1 ATOM 114 O O . LEU A 1 15 ? 0.673 -7.793 3.910 1.00 93.46 15 A 1 ATOM 115 C CB . LEU A 1 15 ? -1.572 -6.738 1.711 1.00 92.22 15 A 1 ATOM 116 C CG . LEU A 1 15 ? -3.072 -6.462 1.585 1.00 87.26 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? -3.549 -6.781 0.174 1.00 86.11 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? -3.858 -7.284 2.599 1.00 86.13 15 A 1 ATOM 119 N N . LEU A 1 16 ? 1.403 -6.215 2.486 1.00 93.11 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 2.796 -6.637 2.564 1.00 92.56 16 A 1 ATOM 121 C C . LEU A 1 16 ? 3.331 -6.472 3.981 1.00 93.15 16 A 1 ATOM 122 O O . LEU A 1 16 ? 4.039 -7.342 4.492 1.00 92.79 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 3.651 -5.828 1.587 1.00 91.44 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 3.394 -6.131 0.110 1.00 87.02 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 4.136 -5.132 -0.770 1.00 86.36 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 3.826 -7.554 -0.228 1.00 85.97 16 A 1 ATOM 127 N N . VAL A 1 17 ? 2.974 -5.373 4.606 1.00 93.11 17 A 1 ATOM 128 C CA . VAL A 1 17 ? 3.377 -5.106 5.984 1.00 92.49 17 A 1 ATOM 129 C C . VAL A 1 17 ? 2.792 -6.160 6.914 1.00 93.12 17 A 1 ATOM 130 O O . VAL A 1 17 ? 3.453 -6.608 7.853 1.00 92.80 17 A 1 ATOM 131 C CB . VAL A 1 17 ? 2.930 -3.703 6.428 1.00 91.59 17 A 1 ATOM 132 C CG1 . VAL A 1 17 ? 3.174 -3.489 7.917 1.00 89.88 17 A 1 ATOM 133 C CG2 . VAL A 1 17 ? 3.670 -2.638 5.637 1.00 90.15 17 A 1 ATOM 134 N N . SER A 1 18 ? 1.560 -6.565 6.643 1.00 93.38 18 A 1 ATOM 135 C CA . SER A 1 18 ? 0.904 -7.593 7.443 1.00 93.19 18 A 1 ATOM 136 C C . SER A 1 18 ? 1.631 -8.930 7.319 1.00 93.75 18 A 1 ATOM 137 O O . SER A 1 18 ? 1.720 -9.690 8.281 1.00 92.44 18 A 1 ATOM 138 C CB . SER A 1 18 ? -0.552 -7.756 7.012 1.00 92.08 18 A 1 ATOM 139 O OG . SER A 1 18 ? -1.266 -6.547 7.215 1.00 85.00 18 A 1 ATOM 140 N N . LEU A 1 19 ? 2.150 -9.193 6.133 1.00 94.63 19 A 1 ATOM 141 C CA . LEU A 1 19 ? 2.893 -10.422 5.873 1.00 94.12 19 A 1 ATOM 142 C C . LEU A 1 19 ? 4.277 -10.377 6.511 1.00 94.32 19 A 1 ATOM 143 O O . LEU A 1 19 ? 4.717 -11.350 7.133 1.00 92.94 19 A 1 ATOM 144 C CB . LEU A 1 19 ? 3.023 -10.646 4.366 1.00 93.24 19 A 1 ATOM 145 C CG . LEU A 1 19 ? 1.701 -10.886 3.635 1.00 88.89 19 A 1 ATOM 146 C CD1 . LEU A 1 19 ? 1.921 -10.876 2.128 1.00 86.70 19 A 1 ATOM 147 C CD2 . LEU A 1 19 ? 1.074 -12.202 4.068 1.00 86.09 19 A 1 ATOM 148 N N . ALA A 1 20 ? 4.946 -9.247 6.352 1.00 92.63 20 A 1 ATOM 149 C CA . ALA A 1 20 ? 6.287 -9.067 6.895 1.00 91.95 20 A 1 ATOM 150 C C . ALA A 1 20 ? 6.480 -7.645 7.412 1.00 92.61 20 A 1 ATOM 151 O O . ALA A 1 20 ? 7.045 -6.794 6.720 1.00 91.26 20 A 1 ATOM 152 C CB . ALA A 1 20 ? 7.323 -9.402 5.831 1.00 89.26 20 A 1 ATOM 153 N N . PRO A 1 21 ? 6.012 -7.372 8.630 1.00 92.07 21 A 1 ATOM 154 C CA . PRO A 1 21 ? 6.144 -6.051 9.240 1.00 91.28 21 A 1 ATOM 155 C C . PRO A 1 21 ? 7.601 -5.640 9.384 1.00 90.87 21 A 1 ATOM 156 O O . PRO A 1 21 ? 8.427 -6.407 9.885 1.00 86.24 21 A 1 ATOM 157 C CB . PRO A 1 21 ? 5.488 -6.214 10.618 1.00 88.18 21 A 1 ATOM 158 C CG . PRO A 1 21 ? 4.598 -7.410 10.483 1.00 88.35 21 A 1 ATOM 159 C CD . PRO A 1 21 ? 5.296 -8.312 9.497 1.00 91.48 21 A 1 ATOM 160 N N . GLY A 1 22 ? 7.898 -4.430 8.935 1.00 86.02 22 A 1 ATOM 161 C CA . GLY A 1 22 ? 9.260 -3.915 9.032 1.00 83.61 22 A 1 ATOM 162 C C . GLY A 1 22 ? 10.153 -4.334 7.889 1.00 84.11 22 A 1 ATOM 163 O O . GLY A 1 22 ? 11.237 -3.778 7.713 1.00 81.15 22 A 1 ATOM 164 N N . ALA A 1 23 ? 9.711 -5.300 7.102 1.00 83.88 23 A 1 ATOM 165 C CA . ALA A 1 23 ? 10.497 -5.775 5.967 1.00 83.18 23 A 1 ATOM 166 C C . ALA A 1 23 ? 10.634 -4.705 4.892 1.00 83.30 23 A 1 ATOM 167 O O . ALA A 1 23 ? 11.645 -4.646 4.196 1.00 80.28 23 A 1 ATOM 168 C CB . ALA A 1 23 ? 9.865 -7.031 5.379 1.00 80.61 23 A 1 ATOM 169 N N . LEU A 1 24 ? 9.615 -3.866 4.765 1.00 82.84 24 A 1 ATOM 170 C CA . LEU A 1 24 ? 9.608 -2.793 3.778 1.00 80.64 24 A 1 ATOM 171 C C . LEU A 1 24 ? 9.557 -1.419 4.444 1.00 81.01 24 A 1 ATOM 172 O O . LEU A 1 24 ? 9.256 -0.416 3.796 1.00 76.05 24 A 1 ATOM 173 C CB . LEU A 1 24 ? 8.429 -2.986 2.815 1.00 76.42 24 A 1 ATOM 174 C CG . LEU A 1 24 ? 7.046 -2.967 3.468 1.00 73.46 24 A 1 ATOM 175 C CD1 . LEU A 1 24 ? 6.475 -1.556 3.501 1.00 69.96 24 A 1 ATOM 176 C CD2 . LEU A 1 24 ? 6.101 -3.889 2.707 1.00 66.29 24 A 1 ATOM 177 N N . SER A 1 25 ? 9.839 -1.390 5.735 1.00 76.78 25 A 1 ATOM 178 C CA . SER A 1 25 ? 9.784 -0.151 6.504 1.00 75.00 25 A 1 ATOM 179 C C . SER A 1 25 ? 10.737 0.901 5.947 1.00 70.81 25 A 1 ATOM 180 O O . SER A 1 25 ? 11.934 0.605 5.787 1.00 65.39 25 A 1 ATOM 181 C CB . SER A 1 25 ? 10.098 -0.414 7.976 1.00 68.59 25 A 1 ATOM 182 O OG . SER A 1 25 ? 11.405 -0.901 8.129 1.00 64.41 25 A 1 ATOM 183 O OXT . SER A 1 25 ? 10.281 2.034 5.687 1.00 65.61 25 A 1 #