# 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_spkb19004 # _entry.id spkb19004 # 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" "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" "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 MET 2 1 n ILE 3 1 n LYS 4 1 n THR 5 1 n ARG 6 1 n PHE 7 1 n SER 8 1 n ARG 9 1 n TRP 10 1 n LEU 11 1 n THR 12 1 n PHE 13 1 n PHE 14 1 n THR 15 1 n PHE 16 1 n ALA 17 1 n ALA 18 1 n ALA 19 1 n VAL 20 1 n ALA 21 1 n LEU 22 1 n ALA 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 @ 2025-07-09 14:23:44)" _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 90.15 _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 77.52 1 1 A MET 2 2 77.14 1 2 A ILE 3 2 84.72 1 3 A LYS 4 2 80.57 1 4 A THR 5 2 88.53 1 5 A ARG 6 2 79.98 1 6 A PHE 7 2 91.58 1 7 A SER 8 2 94.05 1 8 A ARG 9 2 85.23 1 9 A TRP 10 2 89.61 1 10 A LEU 11 2 94.43 1 11 A THR 12 2 95.51 1 12 A PHE 13 2 92.92 1 13 A PHE 14 2 93.46 1 14 A THR 15 2 96.40 1 15 A PHE 16 2 94.87 1 16 A ALA 17 2 98.22 1 17 A ALA 18 2 98.11 1 18 A ALA 19 2 98.34 1 19 A VAL 20 2 97.36 1 20 A ALA 21 2 98.07 1 21 A LEU 22 2 94.06 1 22 A ALA 23 2 90.64 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 MET . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 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 ? -19.225 -3.019 -1.023 1.00 82.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.921 -3.664 -1.302 1.00 84.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.863 -3.117 -0.348 1.00 86.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.496 -1.955 -0.454 1.00 79.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.497 -3.382 -2.738 1.00 78.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.470 -3.990 -3.735 1.00 74.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.042 -3.563 -5.425 1.00 70.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.352 -4.389 -6.304 1.00 62.68 1 A 1 ATOM 9 N N . MET A 1 2 ? -16.385 -3.935 0.576 1.00 83.02 2 A 1 ATOM 10 C CA . MET A 1 2 ? -15.390 -3.505 1.573 1.00 84.85 2 A 1 ATOM 11 C C . MET A 1 2 ? -13.999 -4.072 1.253 1.00 87.36 2 A 1 ATOM 12 O O . MET A 1 2 ? -13.107 -4.049 2.089 1.00 81.10 2 A 1 ATOM 13 C CB . MET A 1 2 ? -15.841 -3.962 2.962 1.00 78.08 2 A 1 ATOM 14 C CG . MET A 1 2 ? -17.161 -3.338 3.380 1.00 73.29 2 A 1 ATOM 15 S SD . MET A 1 2 ? -17.550 -3.694 5.100 1.00 68.38 2 A 1 ATOM 16 C CE . MET A 1 2 ? -19.266 -4.144 4.949 1.00 61.02 2 A 1 ATOM 17 N N . ILE A 1 3 ? -13.820 -4.576 0.058 1.00 87.14 3 A 1 ATOM 18 C CA . ILE A 1 3 ? -12.548 -5.192 -0.331 1.00 88.88 3 A 1 ATOM 19 C C . ILE A 1 3 ? -11.541 -4.135 -0.791 1.00 91.40 3 A 1 ATOM 20 O O . ILE A 1 3 ? -10.332 -4.351 -0.743 1.00 88.86 3 A 1 ATOM 21 C CB . ILE A 1 3 ? -12.803 -6.228 -1.437 1.00 86.64 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? -13.912 -7.213 -1.031 1.00 80.94 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? -11.516 -7.013 -1.729 1.00 80.08 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? -14.516 -7.922 -2.241 1.00 73.83 3 A 1 ATOM 25 N N . LYS A 1 4 ? -12.041 -2.984 -1.212 1.00 87.02 4 A 1 ATOM 26 C CA . LYS A 1 4 ? -11.179 -1.905 -1.712 1.00 87.87 4 A 1 ATOM 27 C C . LYS A 1 4 ? -10.246 -1.366 -0.630 1.00 88.73 4 A 1 ATOM 28 O O . LYS A 1 4 ? -9.138 -0.938 -0.930 1.00 87.84 4 A 1 ATOM 29 C CB . LYS A 1 4 ? -12.053 -0.771 -2.264 1.00 86.22 4 A 1 ATOM 30 C CG . LYS A 1 4 ? -12.015 -0.716 -3.784 1.00 78.02 4 A 1 ATOM 31 C CD . LYS A 1 4 ? -12.808 0.464 -4.313 1.00 78.33 4 A 1 ATOM 32 C CE . LYS A 1 4 ? -12.638 0.589 -5.816 1.00 68.98 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? -13.374 1.763 -6.352 1.00 62.16 4 A 1 ATOM 34 N N . THR A 1 5 ? -10.683 -1.390 0.611 1.00 92.44 5 A 1 ATOM 35 C CA . THR A 1 5 ? -9.884 -0.852 1.713 1.00 92.18 5 A 1 ATOM 36 C C . THR A 1 5 ? -8.577 -1.630 1.886 1.00 93.53 5 A 1 ATOM 37 O O . THR A 1 5 ? -7.519 -1.036 2.081 1.00 91.68 5 A 1 ATOM 38 C CB . THR A 1 5 ? -10.685 -0.889 3.022 1.00 89.98 5 A 1 ATOM 39 O OG1 . THR A 1 5 ? -11.319 -2.148 3.164 1.00 81.06 5 A 1 ATOM 40 C CG2 . THR A 1 5 ? -11.743 0.195 3.042 1.00 78.82 5 A 1 ATOM 41 N N . ARG A 1 6 ? -8.648 -2.947 1.795 1.00 90.00 6 A 1 ATOM 42 C CA . ARG A 1 6 ? -7.446 -3.778 1.946 1.00 90.45 6 A 1 ATOM 43 C C . ARG A 1 6 ? -6.509 -3.601 0.758 1.00 93.19 6 A 1 ATOM 44 O O . ARG A 1 6 ? -5.302 -3.473 0.933 1.00 91.48 6 A 1 ATOM 45 C CB . ARG A 1 6 ? -7.839 -5.252 2.093 1.00 88.42 6 A 1 ATOM 46 C CG . ARG A 1 6 ? -7.986 -5.631 3.561 1.00 82.09 6 A 1 ATOM 47 C CD . ARG A 1 6 ? -7.835 -7.131 3.744 1.00 79.92 6 A 1 ATOM 48 N NE . ARG A 1 6 ? -7.615 -7.469 5.153 1.00 72.33 6 A 1 ATOM 49 C CZ . ARG A 1 6 ? -7.237 -8.663 5.581 1.00 68.63 6 A 1 ATOM 50 N NH1 . ARG A 1 6 ? -7.048 -9.661 4.747 1.00 62.51 6 A 1 ATOM 51 N NH2 . ARG A 1 6 ? -7.039 -8.863 6.875 1.00 60.81 6 A 1 ATOM 52 N N . PHE A 1 7 ? -7.060 -3.572 -0.430 1.00 93.69 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -6.255 -3.404 -1.639 1.00 94.02 7 A 1 ATOM 54 C C . PHE A 1 7 ? -5.546 -2.051 -1.629 1.00 95.43 7 A 1 ATOM 55 O O . PHE A 1 7 ? -4.368 -1.961 -1.969 1.00 94.82 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -7.155 -3.534 -2.865 1.00 94.00 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -6.354 -3.573 -4.142 1.00 92.49 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -5.678 -4.726 -4.521 1.00 89.65 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -6.271 -2.444 -4.951 1.00 89.64 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -4.933 -4.757 -5.698 1.00 87.68 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -5.523 -2.467 -6.127 1.00 88.24 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -4.853 -3.628 -6.498 1.00 87.67 7 A 1 ATOM 63 N N . SER A 1 8 ? -6.247 -1.016 -1.218 1.00 96.91 8 A 1 ATOM 64 C CA . SER A 1 8 ? -5.666 0.329 -1.153 1.00 96.87 8 A 1 ATOM 65 C C . SER A 1 8 ? -4.501 0.367 -0.167 1.00 97.18 8 A 1 ATOM 66 O O . SER A 1 8 ? -3.451 0.939 -0.452 1.00 96.50 8 A 1 ATOM 67 C CB . SER A 1 8 ? -6.738 1.336 -0.743 1.00 96.07 8 A 1 ATOM 68 O OG . SER A 1 8 ? -6.217 2.640 -0.810 1.00 80.77 8 A 1 ATOM 69 N N . ARG A 1 9 ? -4.672 -0.267 0.982 1.00 94.73 9 A 1 ATOM 70 C CA . ARG A 1 9 ? -3.614 -0.309 1.992 1.00 95.15 9 A 1 ATOM 71 C C . ARG A 1 9 ? -2.419 -1.109 1.487 1.00 96.62 9 A 1 ATOM 72 O O . ARG A 1 9 ? -1.274 -0.719 1.706 1.00 95.86 9 A 1 ATOM 73 C CB . ARG A 1 9 ? -4.149 -0.926 3.285 1.00 94.04 9 A 1 ATOM 74 C CG . ARG A 1 9 ? -4.054 0.075 4.427 1.00 86.28 9 A 1 ATOM 75 C CD . ARG A 1 9 ? -4.002 -0.621 5.767 1.00 84.53 9 A 1 ATOM 76 N NE . ARG A 1 9 ? -3.602 0.325 6.822 1.00 78.75 9 A 1 ATOM 77 C CZ . ARG A 1 9 ? -3.072 -0.031 7.978 1.00 75.14 9 A 1 ATOM 78 N NH1 . ARG A 1 9 ? -2.886 -1.295 8.281 1.00 69.31 9 A 1 ATOM 79 N NH2 . ARG A 1 9 ? -2.715 0.892 8.852 1.00 67.16 9 A 1 ATOM 80 N N . TRP A 1 10 ? -2.682 -2.208 0.804 1.00 95.04 10 A 1 ATOM 81 C CA . TRP A 1 10 ? -1.614 -3.045 0.260 1.00 95.28 10 A 1 ATOM 82 C C . TRP A 1 10 ? -0.794 -2.261 -0.763 1.00 96.74 10 A 1 ATOM 83 O O . TRP A 1 10 ? 0.437 -2.307 -0.745 1.00 96.15 10 A 1 ATOM 84 C CB . TRP A 1 10 ? -2.224 -4.290 -0.382 1.00 94.84 10 A 1 ATOM 85 C CG . TRP A 1 10 ? -1.259 -5.422 -0.421 1.00 91.30 10 A 1 ATOM 86 C CD1 . TRP A 1 10 ? -0.890 -6.190 0.637 1.00 87.32 10 A 1 ATOM 87 C CD2 . TRP A 1 10 ? -0.520 -5.922 -1.561 1.00 91.83 10 A 1 ATOM 88 N NE1 . TRP A 1 10 ? 0.030 -7.135 0.223 1.00 84.44 10 A 1 ATOM 89 C CE2 . TRP A 1 10 ? 0.277 -6.999 -1.119 1.00 90.58 10 A 1 ATOM 90 C CE3 . TRP A 1 10 ? -0.467 -5.556 -2.913 1.00 84.12 10 A 1 ATOM 91 C CZ2 . TRP A 1 10 ? 1.115 -7.702 -1.991 1.00 86.77 10 A 1 ATOM 92 C CZ3 . TRP A 1 10 ? 0.370 -6.261 -3.783 1.00 79.89 10 A 1 ATOM 93 C CH2 . TRP A 1 10 ? 1.153 -7.319 -3.320 1.00 80.19 10 A 1 ATOM 94 N N . LEU A 1 11 ? -1.461 -1.523 -1.623 1.00 97.13 11 A 1 ATOM 95 C CA . LEU A 1 11 ? -0.789 -0.698 -2.623 1.00 97.25 11 A 1 ATOM 96 C C . LEU A 1 11 ? 0.056 0.382 -1.952 1.00 97.78 11 A 1 ATOM 97 O O . LEU A 1 11 ? 1.189 0.635 -2.347 1.00 97.69 11 A 1 ATOM 98 C CB . LEU A 1 11 ? -1.839 -0.066 -3.549 1.00 97.22 11 A 1 ATOM 99 C CG . LEU A 1 11 ? -1.665 -0.410 -5.030 1.00 90.98 11 A 1 ATOM 100 C CD1 . LEU A 1 11 ? -0.357 0.147 -5.576 1.00 88.49 11 A 1 ATOM 101 C CD2 . LEU A 1 11 ? -1.711 -1.919 -5.239 1.00 88.90 11 A 1 ATOM 102 N N . THR A 1 12 ? -0.486 1.013 -0.933 1.00 97.25 12 A 1 ATOM 103 C CA . THR A 1 12 ? 0.236 2.060 -0.200 1.00 97.21 12 A 1 ATOM 104 C C . THR A 1 12 ? 1.496 1.482 0.444 1.00 97.63 12 A 1 ATOM 105 O O . THR A 1 12 ? 2.561 2.099 0.400 1.00 97.13 12 A 1 ATOM 106 C CB . THR A 1 12 ? -0.666 2.664 0.880 1.00 96.68 12 A 1 ATOM 107 O OG1 . THR A 1 12 ? -1.888 3.093 0.299 1.00 92.22 12 A 1 ATOM 108 C CG2 . THR A 1 12 ? 0.001 3.868 1.530 1.00 90.46 12 A 1 ATOM 109 N N . PHE A 1 13 ? 1.378 0.304 1.028 1.00 97.10 13 A 1 ATOM 110 C CA . PHE A 1 13 ? 2.520 -0.348 1.663 1.00 97.04 13 A 1 ATOM 111 C C . PHE A 1 13 ? 3.587 -0.685 0.621 1.00 97.65 13 A 1 ATOM 112 O O . PHE A 1 13 ? 4.779 -0.499 0.861 1.00 97.29 13 A 1 ATOM 113 C CB . PHE A 1 13 ? 2.050 -1.614 2.376 1.00 96.53 13 A 1 ATOM 114 C CG . PHE A 1 13 ? 2.895 -1.923 3.589 1.00 92.59 13 A 1 ATOM 115 C CD1 . PHE A 1 13 ? 4.109 -2.577 3.460 1.00 90.28 13 A 1 ATOM 116 C CD2 . PHE A 1 13 ? 2.463 -1.544 4.857 1.00 90.51 13 A 1 ATOM 117 C CE1 . PHE A 1 13 ? 4.893 -2.850 4.578 1.00 87.81 13 A 1 ATOM 118 C CE2 . PHE A 1 13 ? 3.240 -1.818 5.978 1.00 88.38 13 A 1 ATOM 119 C CZ . PHE A 1 13 ? 4.455 -2.472 5.835 1.00 86.92 13 A 1 ATOM 120 N N . PHE A 1 14 ? 3.158 -1.157 -0.529 1.00 97.62 14 A 1 ATOM 121 C CA . PHE A 1 14 ? 4.081 -1.493 -1.609 1.00 97.56 14 A 1 ATOM 122 C C . PHE A 1 14 ? 4.820 -0.248 -2.095 1.00 98.04 14 A 1 ATOM 123 O O . PHE A 1 14 ? 6.035 -0.279 -2.297 1.00 97.68 14 A 1 ATOM 124 C CB . PHE A 1 14 ? 3.299 -2.138 -2.750 1.00 97.00 14 A 1 ATOM 125 C CG . PHE A 1 14 ? 4.204 -2.634 -3.845 1.00 92.89 14 A 1 ATOM 126 C CD1 . PHE A 1 14 ? 5.058 -3.703 -3.627 1.00 90.01 14 A 1 ATOM 127 C CD2 . PHE A 1 14 ? 4.197 -2.013 -5.090 1.00 90.89 14 A 1 ATOM 128 C CE1 . PHE A 1 14 ? 5.899 -4.152 -4.642 1.00 88.40 14 A 1 ATOM 129 C CE2 . PHE A 1 14 ? 5.038 -2.460 -6.104 1.00 89.29 14 A 1 ATOM 130 C CZ . PHE A 1 14 ? 5.890 -3.531 -5.876 1.00 88.63 14 A 1 ATOM 131 N N . THR A 1 15 ? 4.107 0.839 -2.266 1.00 97.84 15 A 1 ATOM 132 C CA . THR A 1 15 ? 4.718 2.096 -2.709 1.00 97.82 15 A 1 ATOM 133 C C . THR A 1 15 ? 5.726 2.593 -1.675 1.00 98.10 15 A 1 ATOM 134 O O . THR A 1 15 ? 6.823 3.031 -2.026 1.00 97.77 15 A 1 ATOM 135 C CB . THR A 1 15 ? 3.635 3.160 -2.932 1.00 97.39 15 A 1 ATOM 136 O OG1 . THR A 1 15 ? 2.651 2.658 -3.823 1.00 94.00 15 A 1 ATOM 137 C CG2 . THR A 1 15 ? 4.231 4.420 -3.553 1.00 91.86 15 A 1 ATOM 138 N N . PHE A 1 16 ? 5.363 2.518 -0.408 1.00 98.06 16 A 1 ATOM 139 C CA . PHE A 1 16 ? 6.248 2.954 0.664 1.00 97.89 16 A 1 ATOM 140 C C . PHE A 1 16 ? 7.490 2.068 0.722 1.00 98.23 16 A 1 ATOM 141 O O . PHE A 1 16 ? 8.608 2.563 0.866 1.00 97.85 16 A 1 ATOM 142 C CB . PHE A 1 16 ? 5.493 2.918 1.991 1.00 97.31 16 A 1 ATOM 143 C CG . PHE A 1 16 ? 6.158 3.774 3.042 1.00 94.98 16 A 1 ATOM 144 C CD1 . PHE A 1 16 ? 5.997 5.155 3.036 1.00 92.79 16 A 1 ATOM 145 C CD2 . PHE A 1 16 ? 6.947 3.190 4.031 1.00 93.19 16 A 1 ATOM 146 C CE1 . PHE A 1 16 ? 6.619 5.944 4.001 1.00 91.20 16 A 1 ATOM 147 C CE2 . PHE A 1 16 ? 7.571 3.976 4.995 1.00 91.32 16 A 1 ATOM 148 C CZ . PHE A 1 16 ? 7.407 5.356 4.980 1.00 90.74 16 A 1 ATOM 149 N N . ALA A 1 17 ? 7.298 0.766 0.601 1.00 98.35 17 A 1 ATOM 150 C CA . ALA A 1 17 ? 8.420 -0.171 0.622 1.00 98.27 17 A 1 ATOM 151 C C . ALA A 1 17 ? 9.374 0.102 -0.540 1.00 98.45 17 A 1 ATOM 152 O O . ALA A 1 17 ? 10.594 0.039 -0.377 1.00 98.21 17 A 1 ATOM 153 C CB . ALA A 1 17 ? 7.888 -1.600 0.550 1.00 97.83 17 A 1 ATOM 154 N N . ALA A 1 18 ? 8.827 0.413 -1.703 1.00 98.44 18 A 1 ATOM 155 C CA . ALA A 1 18 ? 9.643 0.726 -2.870 1.00 98.24 18 A 1 ATOM 156 C C . ALA A 1 18 ? 10.462 1.994 -2.637 1.00 98.34 18 A 1 ATOM 157 O O . ALA A 1 18 ? 11.638 2.054 -3.002 1.00 97.80 18 A 1 ATOM 158 C CB . ALA A 1 18 ? 8.740 0.884 -4.091 1.00 97.73 18 A 1 ATOM 159 N N . ALA A 1 19 ? 9.861 2.992 -2.018 1.00 98.56 19 A 1 ATOM 160 C CA . ALA A 1 19 ? 10.559 4.243 -1.718 1.00 98.47 19 A 1 ATOM 161 C C . ALA A 1 19 ? 11.699 4.009 -0.724 1.00 98.55 19 A 1 ATOM 162 O O . ALA A 1 19 ? 12.783 4.571 -0.870 1.00 98.04 19 A 1 ATOM 163 C CB . ALA A 1 19 ? 9.562 5.263 -1.169 1.00 98.10 19 A 1 ATOM 164 N N . VAL A 1 20 ? 11.463 3.178 0.277 1.00 98.58 20 A 1 ATOM 165 C CA . VAL A 1 20 ? 12.487 2.860 1.279 1.00 98.41 20 A 1 ATOM 166 C C . VAL A 1 20 ? 13.616 2.055 0.640 1.00 98.51 20 A 1 ATOM 167 O O . VAL A 1 20 ? 14.794 2.288 0.925 1.00 98.19 20 A 1 ATOM 168 C CB . VAL A 1 20 ? 11.861 2.085 2.453 1.00 97.75 20 A 1 ATOM 169 C CG1 . VAL A 1 20 ? 12.935 1.609 3.423 1.00 94.83 20 A 1 ATOM 170 C CG2 . VAL A 1 20 ? 10.867 2.963 3.194 1.00 95.27 20 A 1 ATOM 171 N N . ALA A 1 21 ? 13.271 1.118 -0.215 1.00 98.33 21 A 1 ATOM 172 C CA . ALA A 1 21 ? 14.270 0.295 -0.898 1.00 98.21 21 A 1 ATOM 173 C C . ALA A 1 21 ? 15.113 1.129 -1.863 1.00 98.34 21 A 1 ATOM 174 O O . ALA A 1 21 ? 16.274 0.804 -2.114 1.00 97.75 21 A 1 ATOM 175 C CB . ALA A 1 21 ? 13.562 -0.834 -1.647 1.00 97.73 21 A 1 ATOM 176 N N . LEU A 1 22 ? 14.541 2.188 -2.398 1.00 98.07 22 A 1 ATOM 177 C CA . LEU A 1 22 ? 15.249 3.071 -3.328 1.00 97.70 22 A 1 ATOM 178 C C . LEU A 1 22 ? 16.302 3.905 -2.603 1.00 97.74 22 A 1 ATOM 179 O O . LEU A 1 22 ? 17.326 4.267 -3.190 1.00 96.45 22 A 1 ATOM 180 C CB . LEU A 1 22 ? 14.226 3.971 -4.034 1.00 96.78 22 A 1 ATOM 181 C CG . LEU A 1 22 ? 14.611 4.298 -5.476 1.00 92.25 22 A 1 ATOM 182 C CD1 . LEU A 1 22 ? 13.384 4.327 -6.369 1.00 87.72 22 A 1 ATOM 183 C CD2 . LEU A 1 22 ? 15.326 5.642 -5.543 1.00 85.76 22 A 1 ATOM 184 N N . ALA A 1 23 ? 16.066 4.203 -1.341 1.00 95.78 23 A 1 ATOM 185 C CA . ALA A 1 23 ? 16.985 4.996 -0.538 1.00 94.34 23 A 1 ATOM 186 C C . ALA A 1 23 ? 18.144 4.156 0.010 1.00 92.43 23 A 1 ATOM 187 O O . ALA A 1 23 ? 18.062 2.916 -0.002 1.00 87.53 23 A 1 ATOM 188 C CB . ALA A 1 23 ? 16.218 5.669 0.596 1.00 91.37 23 A 1 ATOM 189 O OXT . ALA A 1 23 ? 19.131 4.745 0.480 1.00 82.38 23 A 1 #