# 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_spkb42675 # _entry.id spkb42675 # 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" "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" "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 PHE 2 1 n GLN 3 1 n ASP 4 1 n LYS 5 1 n GLY 6 1 n TRP 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n THR 11 1 n LEU 12 1 n ILE 13 1 n THR 14 1 n LEU 15 1 n VAL 16 1 n SER 17 1 n PRO 18 1 n SER 19 1 n TRP 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 @ 2025-07-03 16:56:10)" _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 89.20 _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 78.82 1 1 A PHE 2 2 81.98 1 2 A GLN 3 2 80.93 1 3 A ASP 4 2 86.97 1 4 A LYS 5 2 87.14 1 5 A GLY 6 2 93.23 1 6 A TRP 7 2 88.93 1 7 A VAL 8 2 93.86 1 8 A LEU 9 2 92.75 1 9 A LEU 10 2 92.17 1 10 A THR 11 2 93.69 1 11 A LEU 12 2 93.80 1 12 A ILE 13 2 93.57 1 13 A THR 14 2 93.13 1 14 A LEU 15 2 93.90 1 15 A VAL 16 2 94.13 1 16 A SER 17 2 92.76 1 17 A PRO 18 2 93.29 1 18 A SER 19 2 90.44 1 19 A TRP 20 2 85.40 1 20 A ALA 21 2 84.00 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 PHE . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n TRP . 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 ? -14.806 4.470 8.998 1.00 83.36 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.658 5.041 8.251 1.00 86.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.475 4.348 6.904 1.00 88.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.446 3.131 6.830 1.00 84.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.380 4.878 9.069 1.00 81.05 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.370 5.835 10.250 1.00 74.58 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.759 5.917 11.023 1.00 67.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.001 7.320 12.093 1.00 63.27 1 A 1 ATOM 9 N N . PHE A 1 2 ? -13.380 5.123 5.876 1.00 86.50 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -13.215 4.586 4.523 1.00 88.31 2 A 1 ATOM 11 C C . PHE A 1 2 ? -11.750 4.629 4.087 1.00 90.76 2 A 1 ATOM 12 O O . PHE A 1 2 ? -11.253 3.710 3.442 1.00 88.98 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -14.076 5.416 3.573 1.00 85.49 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -13.649 5.244 2.144 1.00 80.79 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -13.913 4.065 1.480 1.00 78.76 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -12.977 6.257 1.487 1.00 77.12 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -13.524 3.890 0.158 1.00 74.80 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -12.574 6.095 0.165 1.00 75.87 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -12.851 4.909 -0.499 1.00 74.40 2 A 1 ATOM 20 N N . GLN A 1 3 ? -11.075 5.695 4.423 1.00 87.20 3 A 1 ATOM 21 C CA . GLN A 1 3 ? -9.665 5.855 4.046 1.00 89.81 3 A 1 ATOM 22 C C . GLN A 1 3 ? -8.779 4.821 4.739 1.00 90.62 3 A 1 ATOM 23 O O . GLN A 1 3 ? -7.633 4.626 4.359 1.00 88.31 3 A 1 ATOM 24 C CB . GLN A 1 3 ? -9.197 7.259 4.418 1.00 86.69 3 A 1 ATOM 25 C CG . GLN A 1 3 ? -7.948 7.634 3.643 1.00 77.90 3 A 1 ATOM 26 C CD . GLN A 1 3 ? -7.202 8.765 4.313 1.00 74.41 3 A 1 ATOM 27 O OE1 . GLN A 1 3 ? -7.532 9.925 4.148 1.00 69.08 3 A 1 ATOM 28 N NE2 . GLN A 1 3 ? -6.190 8.441 5.084 1.00 64.38 3 A 1 ATOM 29 N N . ASP A 1 4 ? -9.315 4.171 5.744 1.00 89.56 4 A 1 ATOM 30 C CA . ASP A 1 4 ? -8.550 3.157 6.479 1.00 92.58 4 A 1 ATOM 31 C C . ASP A 1 4 ? -7.922 2.148 5.524 1.00 94.20 4 A 1 ATOM 32 O O . ASP A 1 4 ? -6.781 1.734 5.695 1.00 92.54 4 A 1 ATOM 33 C CB . ASP A 1 4 ? -9.478 2.424 7.452 1.00 90.01 4 A 1 ATOM 34 C CG . ASP A 1 4 ? -9.044 2.642 8.884 1.00 82.21 4 A 1 ATOM 35 O OD1 . ASP A 1 4 ? -7.918 2.271 9.209 1.00 77.56 4 A 1 ATOM 36 O OD2 . ASP A 1 4 ? -9.837 3.184 9.667 1.00 77.06 4 A 1 ATOM 37 N N . LYS A 1 5 ? -8.683 1.762 4.516 1.00 93.22 5 A 1 ATOM 38 C CA . LYS A 1 5 ? -8.189 0.791 3.538 1.00 93.73 5 A 1 ATOM 39 C C . LYS A 1 5 ? -7.271 1.458 2.519 1.00 93.59 5 A 1 ATOM 40 O O . LYS A 1 5 ? -6.317 0.856 2.040 1.00 92.57 5 A 1 ATOM 41 C CB . LYS A 1 5 ? -9.379 0.147 2.831 1.00 93.04 5 A 1 ATOM 42 C CG . LYS A 1 5 ? -10.272 -0.591 3.811 1.00 87.54 5 A 1 ATOM 43 C CD . LYS A 1 5 ? -9.643 -1.908 4.205 1.00 83.31 5 A 1 ATOM 44 C CE . LYS A 1 5 ? -10.631 -2.781 4.942 1.00 77.46 5 A 1 ATOM 45 N NZ . LYS A 1 5 ? -10.466 -4.192 4.550 1.00 69.79 5 A 1 ATOM 46 N N . GLY A 1 6 ? -7.580 2.680 2.201 1.00 92.62 6 A 1 ATOM 47 C CA . GLY A 1 6 ? -6.778 3.418 1.222 1.00 92.73 6 A 1 ATOM 48 C C . GLY A 1 6 ? -5.406 3.783 1.750 1.00 94.12 6 A 1 ATOM 49 O O . GLY A 1 6 ? -4.406 3.652 1.056 1.00 93.43 6 A 1 ATOM 50 N N . TRP A 1 7 ? -5.354 4.244 2.992 1.00 93.12 7 A 1 ATOM 51 C CA . TRP A 1 7 ? -4.076 4.648 3.575 1.00 93.93 7 A 1 ATOM 52 C C . TRP A 1 7 ? -3.168 3.439 3.795 1.00 95.15 7 A 1 ATOM 53 O O . TRP A 1 7 ? -1.955 3.556 3.746 1.00 94.26 7 A 1 ATOM 54 C CB . TRP A 1 7 ? -4.330 5.372 4.893 1.00 93.08 7 A 1 ATOM 55 C CG . TRP A 1 7 ? -4.411 4.450 6.057 1.00 91.15 7 A 1 ATOM 56 C CD1 . TRP A 1 7 ? -5.530 4.040 6.685 1.00 86.45 7 A 1 ATOM 57 C CD2 . TRP A 1 7 ? -3.310 3.810 6.728 1.00 88.78 7 A 1 ATOM 58 N NE1 . TRP A 1 7 ? -5.201 3.181 7.701 1.00 85.49 7 A 1 ATOM 59 C CE2 . TRP A 1 7 ? -3.841 3.020 7.754 1.00 87.88 7 A 1 ATOM 60 C CE3 . TRP A 1 7 ? -1.923 3.842 6.553 1.00 83.67 7 A 1 ATOM 61 C CZ2 . TRP A 1 7 ? -3.026 2.265 8.597 1.00 86.16 7 A 1 ATOM 62 C CZ3 . TRP A 1 7 ? -1.108 3.086 7.399 1.00 82.73 7 A 1 ATOM 63 C CH2 . TRP A 1 7 ? -1.664 2.307 8.411 1.00 83.13 7 A 1 ATOM 64 N N . VAL A 1 8 ? -3.757 2.301 4.022 1.00 94.49 8 A 1 ATOM 65 C CA . VAL A 1 8 ? -2.973 1.082 4.244 1.00 94.95 8 A 1 ATOM 66 C C . VAL A 1 8 ? -2.160 0.739 3.005 1.00 95.51 8 A 1 ATOM 67 O O . VAL A 1 8 ? -0.961 0.489 3.084 1.00 95.04 8 A 1 ATOM 68 C CB . VAL A 1 8 ? -3.895 -0.091 4.595 1.00 94.56 8 A 1 ATOM 69 C CG1 . VAL A 1 8 ? -3.093 -1.378 4.673 1.00 91.47 8 A 1 ATOM 70 C CG2 . VAL A 1 8 ? -4.584 0.168 5.922 1.00 90.99 8 A 1 ATOM 71 N N . LEU A 1 9 ? -2.816 0.709 1.874 1.00 95.18 9 A 1 ATOM 72 C CA . LEU A 1 9 ? -2.130 0.388 0.622 1.00 95.12 9 A 1 ATOM 73 C C . LEU A 1 9 ? -1.083 1.451 0.312 1.00 95.58 9 A 1 ATOM 74 O O . LEU A 1 9 ? -0.034 1.162 -0.257 1.00 95.65 9 A 1 ATOM 75 C CB . LEU A 1 9 ? -3.162 0.302 -0.502 1.00 94.84 9 A 1 ATOM 76 C CG . LEU A 1 9 ? -3.740 1.660 -0.883 1.00 89.50 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? -2.934 2.271 -2.024 1.00 87.80 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? -5.191 1.496 -1.312 1.00 88.29 9 A 1 ATOM 79 N N . LEU A 1 10 ? -1.385 2.671 0.685 1.00 94.63 10 A 1 ATOM 80 C CA . LEU A 1 10 ? -0.448 3.776 0.469 1.00 94.35 10 A 1 ATOM 81 C C . LEU A 1 10 ? 0.820 3.541 1.277 1.00 94.91 10 A 1 ATOM 82 O O . LEU A 1 10 ? 1.933 3.720 0.783 1.00 94.80 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -1.105 5.086 0.911 1.00 94.08 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -0.124 6.250 0.944 1.00 89.68 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -0.343 7.158 -0.255 1.00 87.44 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -0.310 7.043 2.232 1.00 87.46 10 A 1 ATOM 87 N N . THR A 1 11 ? 0.647 3.150 2.515 1.00 95.01 11 A 1 ATOM 88 C CA . THR A 1 11 ? 1.786 2.875 3.393 1.00 94.99 11 A 1 ATOM 89 C C . THR A 1 11 ? 2.591 1.703 2.858 1.00 95.68 11 A 1 ATOM 90 O O . THR A 1 11 ? 3.819 1.685 2.947 1.00 95.01 11 A 1 ATOM 91 C CB . THR A 1 11 ? 1.275 2.565 4.803 1.00 94.58 11 A 1 ATOM 92 O OG1 . THR A 1 11 ? 1.064 3.792 5.491 1.00 91.23 11 A 1 ATOM 93 C CG2 . THR A 1 11 ? 2.283 1.750 5.597 1.00 89.31 11 A 1 ATOM 94 N N . LEU A 1 12 ? 1.902 0.740 2.310 1.00 95.51 12 A 1 ATOM 95 C CA . LEU A 1 12 ? 2.570 -0.433 1.740 1.00 95.47 12 A 1 ATOM 96 C C . LEU A 1 12 ? 3.546 0.003 0.653 1.00 95.87 12 A 1 ATOM 97 O O . LEU A 1 12 ? 4.694 -0.432 0.618 1.00 95.57 12 A 1 ATOM 98 C CB . LEU A 1 12 ? 1.522 -1.368 1.142 1.00 95.31 12 A 1 ATOM 99 C CG . LEU A 1 12 ? 2.136 -2.599 0.488 1.00 92.21 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? 2.549 -3.607 1.550 1.00 90.15 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? 1.132 -3.230 -0.466 1.00 90.33 12 A 1 ATOM 102 N N . ILE A 1 13 ? 3.081 0.854 -0.218 1.00 95.32 13 A 1 ATOM 103 C CA . ILE A 1 13 ? 3.920 1.367 -1.302 1.00 94.53 13 A 1 ATOM 104 C C . ILE A 1 13 ? 5.084 2.166 -0.729 1.00 94.83 13 A 1 ATOM 105 O O . ILE A 1 13 ? 6.210 2.100 -1.226 1.00 94.11 13 A 1 ATOM 106 C CB . ILE A 1 13 ? 3.083 2.257 -2.225 1.00 94.44 13 A 1 ATOM 107 C CG1 . ILE A 1 13 ? 1.971 1.435 -2.876 1.00 93.05 13 A 1 ATOM 108 C CG2 . ILE A 1 13 ? 3.975 2.871 -3.304 1.00 92.62 13 A 1 ATOM 109 C CD1 . ILE A 1 13 ? 0.874 2.319 -3.432 1.00 89.70 13 A 1 ATOM 110 N N . THR A 1 14 ? 4.801 2.911 0.313 1.00 95.26 14 A 1 ATOM 111 C CA . THR A 1 14 ? 5.838 3.716 0.966 1.00 94.72 14 A 1 ATOM 112 C C . THR A 1 14 ? 6.903 2.807 1.565 1.00 95.27 14 A 1 ATOM 113 O O . THR A 1 14 ? 8.088 3.146 1.573 1.00 94.03 14 A 1 ATOM 114 C CB . THR A 1 14 ? 5.210 4.562 2.075 1.00 93.78 14 A 1 ATOM 115 O OG1 . THR A 1 14 ? 4.214 5.405 1.504 1.00 89.97 14 A 1 ATOM 116 C CG2 . THR A 1 14 ? 6.255 5.434 2.746 1.00 88.89 14 A 1 ATOM 117 N N . LEU A 1 15 ? 6.481 1.658 2.057 1.00 95.90 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 7.409 0.698 2.649 1.00 95.53 15 A 1 ATOM 119 C C . LEU A 1 15 ? 8.268 0.076 1.558 1.00 95.73 15 A 1 ATOM 120 O O . LEU A 1 15 ? 9.464 -0.146 1.731 1.00 94.54 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 6.617 -0.388 3.390 1.00 95.29 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 7.186 -0.684 4.780 1.00 93.03 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 8.645 -1.089 4.675 1.00 90.76 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 7.043 0.547 5.661 1.00 90.40 15 A 1 ATOM 125 N N . VAL A 1 16 ? 7.648 -0.198 0.442 1.00 96.39 16 A 1 ATOM 126 C CA . VAL A 1 16 ? 8.358 -0.787 -0.692 1.00 95.55 16 A 1 ATOM 127 C C . VAL A 1 16 ? 9.234 0.257 -1.373 1.00 95.51 16 A 1 ATOM 128 O O . VAL A 1 16 ? 10.192 -0.079 -2.069 1.00 94.54 16 A 1 ATOM 129 C CB . VAL A 1 16 ? 7.352 -1.357 -1.698 1.00 94.50 16 A 1 ATOM 130 C CG1 . VAL A 1 16 ? 8.075 -1.973 -2.881 1.00 91.00 16 A 1 ATOM 131 C CG2 . VAL A 1 16 ? 6.476 -2.400 -1.017 1.00 91.39 16 A 1 ATOM 132 N N . SER A 1 17 ? 8.915 1.508 -1.161 1.00 95.57 17 A 1 ATOM 133 C CA . SER A 1 17 ? 9.668 2.611 -1.760 1.00 94.96 17 A 1 ATOM 134 C C . SER A 1 17 ? 11.150 2.538 -1.388 1.00 94.79 17 A 1 ATOM 135 O O . SER A 1 17 ? 12.013 2.484 -2.267 1.00 93.55 17 A 1 ATOM 136 C CB . SER A 1 17 ? 9.070 3.940 -1.309 1.00 93.09 17 A 1 ATOM 137 O OG . SER A 1 17 ? 9.456 4.979 -2.157 1.00 84.59 17 A 1 ATOM 138 N N . PRO A 1 18 ? 11.469 2.542 -0.090 1.00 95.48 18 A 1 ATOM 139 C CA . PRO A 1 18 ? 12.866 2.460 0.359 1.00 94.74 18 A 1 ATOM 140 C C . PRO A 1 18 ? 13.513 1.143 -0.027 1.00 94.63 18 A 1 ATOM 141 O O . PRO A 1 18 ? 14.660 1.115 -0.468 1.00 91.58 18 A 1 ATOM 142 C CB . PRO A 1 18 ? 12.761 2.592 1.880 1.00 92.61 18 A 1 ATOM 143 C CG . PRO A 1 18 ? 11.374 2.153 2.209 1.00 90.53 18 A 1 ATOM 144 C CD . PRO A 1 18 ? 10.523 2.561 1.033 1.00 93.48 18 A 1 ATOM 145 N N . SER A 1 19 ? 12.786 0.064 0.146 1.00 93.01 19 A 1 ATOM 146 C CA . SER A 1 19 ? 13.299 -1.260 -0.215 1.00 92.74 19 A 1 ATOM 147 C C . SER A 1 19 ? 13.532 -1.345 -1.715 1.00 93.21 19 A 1 ATOM 148 O O . SER A 1 19 ? 14.433 -2.037 -2.181 1.00 90.73 19 A 1 ATOM 149 C CB . SER A 1 19 ? 12.303 -2.334 0.205 1.00 90.73 19 A 1 ATOM 150 O OG . SER A 1 19 ? 12.296 -2.458 1.609 1.00 82.21 19 A 1 ATOM 151 N N . TRP A 1 20 ? 12.698 -0.634 -2.449 1.00 91.45 20 A 1 ATOM 152 C CA . TRP A 1 20 ? 12.825 -0.604 -3.902 1.00 91.22 20 A 1 ATOM 153 C C . TRP A 1 20 ? 14.136 0.072 -4.293 1.00 91.87 20 A 1 ATOM 154 O O . TRP A 1 20 ? 14.858 -0.404 -5.160 1.00 90.08 20 A 1 ATOM 155 C CB . TRP A 1 20 ? 11.643 0.170 -4.489 1.00 89.34 20 A 1 ATOM 156 C CG . TRP A 1 20 ? 11.549 0.020 -5.960 1.00 85.87 20 A 1 ATOM 157 C CD1 . TRP A 1 20 ? 11.193 -1.102 -6.633 1.00 84.77 20 A 1 ATOM 158 C CD2 . TRP A 1 20 ? 11.813 1.020 -6.965 1.00 86.56 20 A 1 ATOM 159 N NE1 . TRP A 1 20 ? 11.224 -0.869 -7.988 1.00 82.06 20 A 1 ATOM 160 C CE2 . TRP A 1 20 ? 11.598 0.424 -8.225 1.00 84.21 20 A 1 ATOM 161 C CE3 . TRP A 1 20 ? 12.215 2.359 -6.912 1.00 80.72 20 A 1 ATOM 162 C CZ2 . TRP A 1 20 ? 11.778 1.133 -9.415 1.00 81.53 20 A 1 ATOM 163 C CZ3 . TRP A 1 20 ? 12.393 3.065 -8.093 1.00 78.29 20 A 1 ATOM 164 C CH2 . TRP A 1 20 ? 12.178 2.457 -9.329 1.00 77.69 20 A 1 ATOM 165 N N . ALA A 1 21 ? 14.453 1.179 -3.614 1.00 89.73 21 A 1 ATOM 166 C CA . ALA A 1 21 ? 15.704 1.915 -3.869 1.00 88.49 21 A 1 ATOM 167 C C . ALA A 1 21 ? 15.905 2.105 -5.373 1.00 85.25 21 A 1 ATOM 168 O O . ALA A 1 21 ? 15.430 3.127 -5.897 1.00 80.58 21 A 1 ATOM 169 C CB . ALA A 1 21 ? 16.878 1.160 -3.260 1.00 83.93 21 A 1 ATOM 170 O OXT . ALA A 1 21 ? 16.538 1.262 -5.998 1.00 76.04 21 A 1 #