# 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_spkb38353 # _entry.id spkb38353 # 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" "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 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" "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 ASN 2 1 n MET 3 1 n MET 4 1 n THR 5 1 n VAL 6 1 n LYS 7 1 n GLN 8 1 n GLY 9 1 n VAL 10 1 n TRP 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n TRP 16 1 n PRO 17 1 n TYR 18 1 n LEU 19 1 n LEU 20 1 n ALA 21 1 n ALA 22 1 n SER 23 # _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 17:51:32)" _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 90.62 _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 75.98 1 1 A ASN 2 2 81.08 1 2 A MET 3 2 86.24 1 3 A MET 4 2 86.41 1 4 A THR 5 2 90.87 1 5 A VAL 6 2 92.45 1 6 A LYS 7 2 88.77 1 7 A GLN 8 2 89.19 1 8 A GLY 9 2 94.73 1 9 A VAL 10 2 94.99 1 10 A TRP 11 2 91.13 1 11 A ALA 12 2 95.39 1 12 A ALA 13 2 95.14 1 13 A LEU 14 2 93.25 1 14 A LEU 15 2 92.93 1 15 A TRP 16 2 92.33 1 16 A PRO 17 2 96.11 1 17 A TYR 18 2 92.94 1 18 A LEU 19 2 94.75 1 19 A LEU 20 2 94.16 1 20 A ALA 21 2 95.77 1 21 A ALA 22 2 94.44 1 22 A SER 23 2 82.17 1 23 # _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 ASN . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n SER . 23 A 23 # _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 ? -2.222 16.120 13.566 1.00 81.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.941 14.835 12.893 1.00 83.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.541 14.850 12.303 1.00 85.42 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.159 15.818 11.648 1.00 80.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.954 14.579 11.775 1.00 76.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.305 14.140 12.312 1.00 72.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.509 13.911 10.992 1.00 68.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.895 13.308 11.941 1.00 60.47 1 A 1 ATOM 9 N N . ASN A 1 2 ? 0.211 13.812 12.534 1.00 82.38 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 1.568 13.717 12.008 1.00 86.35 2 A 1 ATOM 11 C C . ASN A 1 2 ? 1.557 13.222 10.566 1.00 88.41 2 A 1 ATOM 12 O O . ASN A 1 2 ? 0.726 12.404 10.183 1.00 86.51 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 2.402 12.790 12.891 1.00 81.22 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 3.013 13.524 14.064 1.00 78.20 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 2.465 14.487 14.568 1.00 73.35 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 4.165 13.071 14.515 1.00 72.21 2 A 1 ATOM 17 N N . MET A 1 3 ? 2.500 13.705 9.776 1.00 92.69 3 A 1 ATOM 18 C CA . MET A 1 3 ? 2.616 13.350 8.359 1.00 93.37 3 A 1 ATOM 19 C C . MET A 1 3 ? 2.920 11.858 8.177 1.00 93.94 3 A 1 ATOM 20 O O . MET A 1 3 ? 2.566 11.269 7.160 1.00 91.86 3 A 1 ATOM 21 C CB . MET A 1 3 ? 3.718 14.202 7.725 1.00 90.55 3 A 1 ATOM 22 C CG . MET A 1 3 ? 3.442 14.514 6.267 1.00 83.84 3 A 1 ATOM 23 S SD . MET A 1 3 ? 4.735 15.544 5.560 1.00 76.66 3 A 1 ATOM 24 C CE . MET A 1 3 ? 4.074 15.806 3.922 1.00 67.00 3 A 1 ATOM 25 N N . MET A 1 4 ? 3.561 11.248 9.159 1.00 93.41 4 A 1 ATOM 26 C CA . MET A 1 4 ? 3.938 9.833 9.097 1.00 93.30 4 A 1 ATOM 27 C C . MET A 1 4 ? 2.721 8.916 9.066 1.00 94.16 4 A 1 ATOM 28 O O . MET A 1 4 ? 2.682 7.964 8.289 1.00 92.80 4 A 1 ATOM 29 C CB . MET A 1 4 ? 4.825 9.480 10.289 1.00 91.62 4 A 1 ATOM 30 C CG . MET A 1 4 ? 6.187 10.147 10.199 1.00 84.52 4 A 1 ATOM 31 S SD . MET A 1 4 ? 7.276 9.643 11.533 1.00 75.65 4 A 1 ATOM 32 C CE . MET A 1 4 ? 8.657 10.729 11.231 1.00 65.80 4 A 1 ATOM 33 N N . THR A 1 5 ? 1.734 9.208 9.891 1.00 93.30 5 A 1 ATOM 34 C CA . THR A 1 5 ? 0.524 8.385 9.963 1.00 93.61 5 A 1 ATOM 35 C C . THR A 1 5 ? -0.291 8.494 8.677 1.00 94.28 5 A 1 ATOM 36 O O . THR A 1 5 ? -0.781 7.493 8.158 1.00 93.44 5 A 1 ATOM 37 C CB . THR A 1 5 ? -0.340 8.803 11.161 1.00 92.32 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? 0.467 8.896 12.322 1.00 85.46 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? -1.442 7.793 11.428 1.00 83.70 5 A 1 ATOM 40 N N . VAL A 1 6 ? -0.423 9.697 8.153 1.00 93.92 6 A 1 ATOM 41 C CA . VAL A 1 6 ? -1.179 9.929 6.920 1.00 94.21 6 A 1 ATOM 42 C C . VAL A 1 6 ? -0.459 9.309 5.721 1.00 94.67 6 A 1 ATOM 43 O O . VAL A 1 6 ? -1.085 8.652 4.887 1.00 93.80 6 A 1 ATOM 44 C CB . VAL A 1 6 ? -1.409 11.434 6.699 1.00 93.18 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? -2.202 11.680 5.426 1.00 88.29 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? -2.148 12.041 7.884 1.00 89.08 6 A 1 ATOM 47 N N . LYS A 1 7 ? 0.850 9.493 5.648 1.00 95.23 7 A 1 ATOM 48 C CA . LYS A 1 7 ? 1.654 8.938 4.557 1.00 95.12 7 A 1 ATOM 49 C C . LYS A 1 7 ? 1.617 7.416 4.564 1.00 94.59 7 A 1 ATOM 50 O O . LYS A 1 7 ? 1.470 6.799 3.507 1.00 94.74 7 A 1 ATOM 51 C CB . LYS A 1 7 ? 3.100 9.428 4.651 1.00 95.09 7 A 1 ATOM 52 C CG . LYS A 1 7 ? 3.316 10.737 3.924 1.00 88.40 7 A 1 ATOM 53 C CD . LYS A 1 7 ? 4.781 11.164 3.953 1.00 84.94 7 A 1 ATOM 54 C CE . LYS A 1 7 ? 5.600 10.403 2.926 1.00 78.89 7 A 1 ATOM 55 N NZ . LYS A 1 7 ? 6.974 10.970 2.784 1.00 71.89 7 A 1 ATOM 56 N N . GLN A 1 8 ? 1.721 6.805 5.735 1.00 95.48 8 A 1 ATOM 57 C CA . GLN A 1 8 ? 1.681 5.352 5.853 1.00 94.72 8 A 1 ATOM 58 C C . GLN A 1 8 ? 0.335 4.801 5.401 1.00 94.89 8 A 1 ATOM 59 O O . GLN A 1 8 ? 0.289 3.794 4.701 1.00 93.17 8 A 1 ATOM 60 C CB . GLN A 1 8 ? 1.967 4.923 7.288 1.00 93.64 8 A 1 ATOM 61 C CG . GLN A 1 8 ? 3.441 4.608 7.493 1.00 88.66 8 A 1 ATOM 62 C CD . GLN A 1 8 ? 3.691 3.857 8.788 1.00 84.57 8 A 1 ATOM 63 O OE1 . GLN A 1 8 ? 2.789 3.294 9.394 1.00 79.49 8 A 1 ATOM 64 N NE2 . GLN A 1 8 ? 4.925 3.824 9.241 1.00 78.07 8 A 1 ATOM 65 N N . GLY A 1 9 ? -0.741 5.453 5.789 1.00 94.50 9 A 1 ATOM 66 C CA . GLY A 1 9 ? -2.075 5.002 5.405 1.00 94.27 9 A 1 ATOM 67 C C . GLY A 1 9 ? -2.299 5.060 3.905 1.00 95.40 9 A 1 ATOM 68 O O . GLY A 1 9 ? -2.773 4.097 3.306 1.00 94.77 9 A 1 ATOM 69 N N . VAL A 1 10 ? -1.947 6.177 3.281 1.00 95.65 10 A 1 ATOM 70 C CA . VAL A 1 10 ? -2.137 6.365 1.837 1.00 95.90 10 A 1 ATOM 71 C C . VAL A 1 10 ? -1.194 5.469 1.036 1.00 96.36 10 A 1 ATOM 72 O O . VAL A 1 10 ? -1.614 4.814 0.079 1.00 95.87 10 A 1 ATOM 73 C CB . VAL A 1 10 ? -1.937 7.843 1.453 1.00 95.42 10 A 1 ATOM 74 C CG1 . VAL A 1 10 ? -2.065 8.045 -0.051 1.00 93.05 10 A 1 ATOM 75 C CG2 . VAL A 1 10 ? -2.960 8.720 2.164 1.00 92.66 10 A 1 ATOM 76 N N . TRP A 1 11 ? 0.079 5.424 1.431 1.00 95.41 11 A 1 ATOM 77 C CA . TRP A 1 11 ? 1.069 4.614 0.725 1.00 94.95 11 A 1 ATOM 78 C C . TRP A 1 11 ? 0.773 3.130 0.878 1.00 95.54 11 A 1 ATOM 79 O O . TRP A 1 11 ? 0.808 2.390 -0.101 1.00 95.21 11 A 1 ATOM 80 C CB . TRP A 1 11 ? 2.472 4.942 1.228 1.00 94.37 11 A 1 ATOM 81 C CG . TRP A 1 11 ? 3.329 5.544 0.166 1.00 92.99 11 A 1 ATOM 82 C CD1 . TRP A 1 11 ? 3.202 6.786 -0.368 1.00 89.15 11 A 1 ATOM 83 C CD2 . TRP A 1 11 ? 4.443 4.925 -0.523 1.00 91.13 11 A 1 ATOM 84 N NE1 . TRP A 1 11 ? 4.160 6.981 -1.342 1.00 88.40 11 A 1 ATOM 85 C CE2 . TRP A 1 11 ? 4.944 5.854 -1.461 1.00 90.48 11 A 1 ATOM 86 C CE3 . TRP A 1 11 ? 5.062 3.675 -0.430 1.00 88.01 11 A 1 ATOM 87 C CZ2 . TRP A 1 11 ? 6.028 5.565 -2.292 1.00 88.73 11 A 1 ATOM 88 C CZ3 . TRP A 1 11 ? 6.145 3.383 -1.256 1.00 85.59 11 A 1 ATOM 89 C CH2 . TRP A 1 11 ? 6.622 4.322 -2.182 1.00 85.85 11 A 1 ATOM 90 N N . ALA A 1 12 ? 0.450 2.689 2.083 1.00 95.63 12 A 1 ATOM 91 C CA . ALA A 1 12 ? 0.128 1.288 2.334 1.00 95.44 12 A 1 ATOM 92 C C . ALA A 1 12 ? -1.143 0.873 1.597 1.00 96.16 12 A 1 ATOM 93 O O . ALA A 1 12 ? -1.224 -0.243 1.088 1.00 95.41 12 A 1 ATOM 94 C CB . ALA A 1 12 ? -0.025 1.055 3.832 1.00 94.31 12 A 1 ATOM 95 N N . ALA A 1 13 ? -2.122 1.756 1.513 1.00 95.11 13 A 1 ATOM 96 C CA . ALA A 1 13 ? -3.373 1.462 0.819 1.00 95.28 13 A 1 ATOM 97 C C . ALA A 1 13 ? -3.141 1.204 -0.671 1.00 96.12 13 A 1 ATOM 98 O O . ALA A 1 13 ? -3.841 0.393 -1.272 1.00 94.75 13 A 1 ATOM 99 C CB . ALA A 1 13 ? -4.350 2.617 1.012 1.00 94.43 13 A 1 ATOM 100 N N . LEU A 1 14 ? -2.165 1.880 -1.270 1.00 95.33 14 A 1 ATOM 101 C CA . LEU A 1 14 ? -1.834 1.697 -2.684 1.00 95.08 14 A 1 ATOM 102 C C . LEU A 1 14 ? -0.837 0.560 -2.886 1.00 95.73 14 A 1 ATOM 103 O O . LEU A 1 14 ? -0.941 -0.193 -3.858 1.00 95.22 14 A 1 ATOM 104 C CB . LEU A 1 14 ? -1.271 3.005 -3.245 1.00 94.72 14 A 1 ATOM 105 C CG . LEU A 1 14 ? -2.347 4.027 -3.609 1.00 92.05 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? -1.783 5.438 -3.598 1.00 88.89 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? -2.925 3.715 -4.986 1.00 88.99 14 A 1 ATOM 108 N N . LEU A 1 15 ? 0.108 0.436 -1.979 1.00 95.52 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 1.153 -0.583 -2.070 1.00 95.37 15 A 1 ATOM 110 C C . LEU A 1 15 ? 0.620 -1.978 -1.760 1.00 96.21 15 A 1 ATOM 111 O O . LEU A 1 15 ? 1.067 -2.955 -2.354 1.00 96.03 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 2.291 -0.236 -1.109 1.00 94.79 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 3.668 -0.625 -1.641 1.00 90.35 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 4.288 0.528 -2.424 1.00 87.53 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 4.584 -1.027 -0.500 1.00 87.67 15 A 1 ATOM 116 N N . TRP A 1 16 ? -0.331 -2.072 -0.846 1.00 96.19 16 A 1 ATOM 117 C CA . TRP A 1 16 ? -0.886 -3.357 -0.413 1.00 96.18 16 A 1 ATOM 118 C C . TRP A 1 16 ? -1.514 -4.134 -1.573 1.00 96.98 16 A 1 ATOM 119 O O . TRP A 1 16 ? -1.105 -5.272 -1.826 1.00 96.87 16 A 1 ATOM 120 C CB . TRP A 1 16 ? -1.890 -3.133 0.730 1.00 95.56 16 A 1 ATOM 121 C CG . TRP A 1 16 ? -1.730 -4.099 1.867 1.00 93.35 16 A 1 ATOM 122 C CD1 . TRP A 1 16 ? -2.654 -4.337 2.844 1.00 90.08 16 A 1 ATOM 123 C CD2 . TRP A 1 16 ? -0.611 -4.949 2.172 1.00 92.70 16 A 1 ATOM 124 N NE1 . TRP A 1 16 ? -2.171 -5.269 3.723 1.00 89.79 16 A 1 ATOM 125 C CE2 . TRP A 1 16 ? -0.923 -5.674 3.341 1.00 91.53 16 A 1 ATOM 126 C CE3 . TRP A 1 16 ? 0.637 -5.187 1.570 1.00 89.98 16 A 1 ATOM 127 C CZ2 . TRP A 1 16 ? -0.038 -6.603 3.904 1.00 89.83 16 A 1 ATOM 128 C CZ3 . TRP A 1 16 ? 1.518 -6.110 2.125 1.00 86.92 16 A 1 ATOM 129 C CH2 . TRP A 1 16 ? 1.172 -6.810 3.280 1.00 86.66 16 A 1 ATOM 130 N N . PRO A 1 17 ? -2.478 -3.560 -2.299 1.00 96.80 17 A 1 ATOM 131 C CA . PRO A 1 17 ? -3.070 -4.278 -3.433 1.00 96.60 17 A 1 ATOM 132 C C . PRO A 1 17 ? -2.057 -4.527 -4.543 1.00 97.05 17 A 1 ATOM 133 O O . PRO A 1 17 ? -2.126 -5.550 -5.226 1.00 96.11 17 A 1 ATOM 134 C CB . PRO A 1 17 ? -4.197 -3.353 -3.908 1.00 95.43 17 A 1 ATOM 135 C CG . PRO A 1 17 ? -3.835 -2.001 -3.386 1.00 94.39 17 A 1 ATOM 136 C CD . PRO A 1 17 ? -3.107 -2.261 -2.091 1.00 96.36 17 A 1 ATOM 137 N N . TYR A 1 18 ? -1.102 -3.623 -4.728 1.00 97.06 18 A 1 ATOM 138 C CA . TYR A 1 18 ? -0.050 -3.782 -5.729 1.00 96.73 18 A 1 ATOM 139 C C . TYR A 1 18 ? 0.844 -4.978 -5.397 1.00 97.04 18 A 1 ATOM 140 O O . TYR A 1 18 ? 1.139 -5.795 -6.270 1.00 96.33 18 A 1 ATOM 141 C CB . TYR A 1 18 ? 0.776 -2.499 -5.805 1.00 96.08 18 A 1 ATOM 142 C CG . TYR A 1 18 ? 1.934 -2.615 -6.763 1.00 93.59 18 A 1 ATOM 143 C CD1 . TYR A 1 18 ? 1.720 -2.623 -8.143 1.00 91.02 18 A 1 ATOM 144 C CD2 . TYR A 1 18 ? 3.236 -2.731 -6.283 1.00 91.10 18 A 1 ATOM 145 C CE1 . TYR A 1 18 ? 2.788 -2.741 -9.025 1.00 89.54 18 A 1 ATOM 146 C CE2 . TYR A 1 18 ? 4.308 -2.852 -7.161 1.00 89.47 18 A 1 ATOM 147 C CZ . TYR A 1 18 ? 4.076 -2.856 -8.529 1.00 89.47 18 A 1 ATOM 148 O OH . TYR A 1 18 ? 5.137 -2.981 -9.397 1.00 87.82 18 A 1 ATOM 149 N N . LEU A 1 19 ? 1.256 -5.085 -4.135 1.00 96.91 19 A 1 ATOM 150 C CA . LEU A 1 19 ? 2.090 -6.200 -3.692 1.00 96.63 19 A 1 ATOM 151 C C . LEU A 1 19 ? 1.330 -7.519 -3.767 1.00 97.00 19 A 1 ATOM 152 O O . LEU A 1 19 ? 1.890 -8.540 -4.157 1.00 96.90 19 A 1 ATOM 153 C CB . LEU A 1 19 ? 2.563 -5.947 -2.259 1.00 96.28 19 A 1 ATOM 154 C CG . LEU A 1 19 ? 3.721 -4.956 -2.147 1.00 93.53 19 A 1 ATOM 155 C CD1 . LEU A 1 19 ? 3.822 -4.429 -0.724 1.00 90.42 19 A 1 ATOM 156 C CD2 . LEU A 1 19 ? 5.034 -5.621 -2.541 1.00 90.36 19 A 1 ATOM 157 N N . LEU A 1 20 ? 0.058 -7.494 -3.410 1.00 96.83 20 A 1 ATOM 158 C CA . LEU A 1 20 ? -0.780 -8.692 -3.449 1.00 96.38 20 A 1 ATOM 159 C C . LEU A 1 20 ? -0.993 -9.163 -4.886 1.00 96.57 20 A 1 ATOM 160 O O . LEU A 1 20 ? -0.988 -10.363 -5.158 1.00 96.50 20 A 1 ATOM 161 C CB . LEU A 1 20 ? -2.126 -8.405 -2.779 1.00 95.80 20 A 1 ATOM 162 C CG . LEU A 1 20 ? -2.602 -9.539 -1.875 1.00 92.01 20 A 1 ATOM 163 C CD1 . LEU A 1 20 ? -2.567 -9.109 -0.413 1.00 89.78 20 A 1 ATOM 164 C CD2 . LEU A 1 20 ? -4.005 -9.982 -2.251 1.00 89.42 20 A 1 ATOM 165 N N . ALA A 1 21 ? -1.178 -8.231 -5.806 1.00 96.38 21 A 1 ATOM 166 C CA . ALA A 1 21 ? -1.378 -8.560 -7.214 1.00 96.03 21 A 1 ATOM 167 C C . ALA A 1 21 ? -0.084 -9.038 -7.876 1.00 96.05 21 A 1 ATOM 168 O O . ALA A 1 21 ? -0.123 -9.867 -8.786 1.00 95.19 21 A 1 ATOM 169 C CB . ALA A 1 21 ? -1.929 -7.343 -7.951 1.00 95.18 21 A 1 ATOM 170 N N . ALA A 1 22 ? 1.049 -8.519 -7.427 1.00 95.92 22 A 1 ATOM 171 C CA . ALA A 1 22 ? 2.356 -8.897 -7.965 1.00 94.90 22 A 1 ATOM 172 C C . ALA A 1 22 ? 2.803 -10.275 -7.485 1.00 94.83 22 A 1 ATOM 173 O O . ALA A 1 22 ? 3.626 -10.923 -8.133 1.00 92.97 22 A 1 ATOM 174 C CB . ALA A 1 22 ? 3.392 -7.843 -7.586 1.00 93.59 22 A 1 ATOM 175 N N . SER A 1 23 ? 2.265 -10.721 -6.351 1.00 90.88 23 A 1 ATOM 176 C CA . SER A 1 23 ? 2.623 -12.011 -5.768 1.00 87.83 23 A 1 ATOM 177 C C . SER A 1 23 ? 1.636 -13.109 -6.145 1.00 82.38 23 A 1 ATOM 178 O O . SER A 1 23 ? 0.571 -12.812 -6.725 1.00 76.23 23 A 1 ATOM 179 C CB . SER A 1 23 ? 2.729 -11.905 -4.246 1.00 82.82 23 A 1 ATOM 180 O OG . SER A 1 23 ? 3.363 -13.060 -3.721 1.00 76.78 23 A 1 ATOM 181 O OXT . SER A 1 23 ? 1.914 -14.275 -5.850 1.00 78.27 23 A 1 #