# 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_spkb42487 # _entry.id spkb42487 # 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" "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 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" "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 LYS 3 1 n ARG 4 1 n GLY 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n SER 14 1 n ALA 15 1 n SER 16 1 n VAL 17 1 n SER 18 1 n ALA 19 1 n PHE 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 @ 2025-07-09 09:27:30)" _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 90.99 _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 75.57 1 1 A ASN 2 2 84.44 1 2 A LYS 3 2 87.25 1 3 A ARG 4 2 83.13 1 4 A GLY 5 2 93.91 1 5 A ALA 6 2 95.06 1 6 A LEU 7 2 91.80 1 7 A LEU 8 2 93.51 1 8 A SER 9 2 95.26 1 9 A LEU 10 2 93.36 1 10 A LEU 11 2 94.54 1 11 A PHE 12 2 93.34 1 12 A LEU 13 2 93.22 1 13 A SER 14 2 95.43 1 14 A ALA 15 2 96.61 1 15 A SER 16 2 95.70 1 16 A VAL 17 2 95.61 1 17 A SER 18 2 94.85 1 18 A ALA 19 2 95.55 1 19 A PHE 20 2 90.20 1 20 A ALA 21 2 85.58 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 ASN . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n PHE . 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 ? 7.193 0.270 13.834 1.00 80.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? 6.287 0.347 12.670 1.00 82.54 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.955 -0.288 13.035 1.00 84.45 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.932 -1.402 13.556 1.00 79.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.892 -0.357 11.453 1.00 76.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? 8.139 0.367 10.952 1.00 73.32 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.900 -0.450 9.532 1.00 68.33 1 A 1 ATOM 8 C CE . MET A 1 1 ? 10.223 0.702 9.179 1.00 59.92 1 A 1 ATOM 9 N N . ASN A 1 2 ? 3.863 0.411 12.805 1.00 84.40 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 2.544 -0.036 13.239 1.00 89.46 2 A 1 ATOM 11 C C . ASN A 1 2 ? 1.881 -0.903 12.166 1.00 91.96 2 A 1 ATOM 12 O O . ASN A 1 2 ? 1.914 -0.574 10.980 1.00 90.61 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 1.688 1.185 13.588 1.00 86.09 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 2.231 1.949 14.786 1.00 80.06 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 2.926 1.414 15.630 1.00 78.77 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 1.916 3.223 14.868 1.00 74.16 2 A 1 ATOM 17 N N . LYS A 1 3 ? 1.230 -1.993 12.576 1.00 93.62 3 A 1 ATOM 18 C CA . LYS A 1 3 ? 0.520 -2.906 11.668 1.00 94.36 3 A 1 ATOM 19 C C . LYS A 1 3 ? -0.582 -2.183 10.884 1.00 94.82 3 A 1 ATOM 20 O O . LYS A 1 3 ? -0.784 -2.451 9.700 1.00 93.77 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -0.069 -4.085 12.458 1.00 92.92 3 A 1 ATOM 22 C CG . LYS A 1 3 ? 1.004 -4.999 13.059 1.00 86.63 3 A 1 ATOM 23 C CD . LYS A 1 3 ? 0.370 -6.184 13.787 1.00 83.29 3 A 1 ATOM 24 C CE . LYS A 1 3 ? 1.437 -7.098 14.374 1.00 75.58 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? 0.844 -8.273 15.078 1.00 70.22 3 A 1 ATOM 26 N N . ARG A 1 4 ? -1.266 -1.241 11.517 1.00 92.72 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -2.318 -0.440 10.876 1.00 93.87 4 A 1 ATOM 28 C C . ARG A 1 4 ? -1.765 0.392 9.719 1.00 95.07 4 A 1 ATOM 29 O O . ARG A 1 4 ? -2.379 0.450 8.654 1.00 93.10 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -2.996 0.469 11.911 1.00 91.82 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -3.770 -0.323 12.971 1.00 86.40 4 A 1 ATOM 32 C CD . ARG A 1 4 ? -4.452 0.630 13.950 1.00 82.22 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -5.182 -0.100 14.999 1.00 75.62 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -5.787 0.461 16.038 1.00 72.75 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? -5.780 1.763 16.218 1.00 67.07 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -6.408 -0.283 16.916 1.00 63.76 4 A 1 ATOM 37 N N . GLY A 1 5 ? -0.602 1.000 9.908 1.00 93.24 5 A 1 ATOM 38 C CA . GLY A 1 5 ? 0.062 1.770 8.856 1.00 93.13 5 A 1 ATOM 39 C C . GLY A 1 5 ? 0.476 0.903 7.674 1.00 94.87 5 A 1 ATOM 40 O O . GLY A 1 5 ? 0.303 1.295 6.522 1.00 94.40 5 A 1 ATOM 41 N N . ALA A 1 6 ? 0.977 -0.305 7.943 1.00 94.29 6 A 1 ATOM 42 C CA . ALA A 1 6 ? 1.357 -1.256 6.901 1.00 95.12 6 A 1 ATOM 43 C C . ALA A 1 6 ? 0.146 -1.698 6.064 1.00 96.37 6 A 1 ATOM 44 O O . ALA A 1 6 ? 0.231 -1.741 4.836 1.00 95.63 6 A 1 ATOM 45 C CB . ALA A 1 6 ? 2.054 -2.459 7.543 1.00 93.87 6 A 1 ATOM 46 N N . LEU A 1 7 ? -0.979 -1.978 6.715 1.00 93.75 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -2.217 -2.358 6.026 1.00 94.55 7 A 1 ATOM 48 C C . LEU A 1 7 ? -2.743 -1.222 5.146 1.00 95.92 7 A 1 ATOM 49 O O . LEU A 1 7 ? -3.133 -1.454 4.001 1.00 95.98 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -3.280 -2.763 7.056 1.00 95.09 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -3.015 -4.104 7.747 1.00 88.68 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -3.983 -4.290 8.908 1.00 85.24 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -3.164 -5.269 6.776 1.00 85.21 7 A 1 ATOM 54 N N . LEU A 1 8 ? -2.724 0.001 5.653 1.00 95.97 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -3.160 1.174 4.900 1.00 96.04 8 A 1 ATOM 56 C C . LEU A 1 8 ? -2.275 1.403 3.673 1.00 96.84 8 A 1 ATOM 57 O O . LEU A 1 8 ? -2.778 1.653 2.576 1.00 96.75 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -3.143 2.403 5.818 1.00 95.86 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -3.872 3.605 5.217 1.00 91.43 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -5.382 3.452 5.358 1.00 87.63 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -3.430 4.888 5.913 1.00 87.53 8 A 1 ATOM 62 N N . SER A 1 9 ? -0.958 1.285 3.842 1.00 96.50 9 A 1 ATOM 63 C CA . SER A 1 9 ? 0.009 1.434 2.751 1.00 96.71 9 A 1 ATOM 64 C C . SER A 1 9 ? -0.188 0.364 1.679 1.00 97.24 9 A 1 ATOM 65 O O . SER A 1 9 ? -0.173 0.673 0.489 1.00 96.66 9 A 1 ATOM 66 C CB . SER A 1 9 ? 1.436 1.367 3.291 1.00 95.95 9 A 1 ATOM 67 O OG . SER A 1 9 ? 1.658 2.403 4.232 1.00 88.48 9 A 1 ATOM 68 N N . LEU A 1 10 ? -0.411 -0.882 2.091 1.00 95.79 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -0.657 -1.986 1.160 1.00 95.92 10 A 1 ATOM 70 C C . LEU A 1 10 ? -1.929 -1.752 0.345 1.00 96.77 10 A 1 ATOM 71 O O . LEU A 1 10 ? -1.931 -1.942 -0.873 1.00 96.64 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -0.747 -3.302 1.944 1.00 95.90 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -0.887 -4.546 1.057 1.00 91.10 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? 0.361 -4.780 0.211 1.00 87.03 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -1.147 -5.773 1.921 1.00 87.73 10 A 1 ATOM 76 N N . LEU A 1 11 ? -3.001 -1.316 0.997 1.00 96.66 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -4.268 -1.010 0.334 1.00 96.62 11 A 1 ATOM 78 C C . LEU A 1 11 ? -4.103 0.129 -0.673 1.00 97.14 11 A 1 ATOM 79 O O . LEU A 1 11 ? -4.586 0.038 -1.804 1.00 97.10 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -5.320 -0.659 1.396 1.00 96.68 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -6.724 -0.434 0.829 1.00 93.04 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -7.312 -1.730 0.264 1.00 89.30 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -7.644 0.098 1.921 1.00 89.79 11 A 1 ATOM 84 N N . PHE A 1 12 ? -3.396 1.188 -0.281 1.00 96.68 12 A 1 ATOM 85 C CA . PHE A 1 12 ? -3.140 2.339 -1.143 1.00 96.46 12 A 1 ATOM 86 C C . PHE A 1 12 ? -2.318 1.953 -2.372 1.00 96.91 12 A 1 ATOM 87 O O . PHE A 1 12 ? -2.652 2.349 -3.492 1.00 96.35 12 A 1 ATOM 88 C CB . PHE A 1 12 ? -2.434 3.425 -0.334 1.00 95.99 12 A 1 ATOM 89 C CG . PHE A 1 12 ? -2.267 4.703 -1.106 1.00 92.88 12 A 1 ATOM 90 C CD1 . PHE A 1 12 ? -1.085 4.970 -1.795 1.00 90.16 12 A 1 ATOM 91 C CD2 . PHE A 1 12 ? -3.319 5.622 -1.160 1.00 91.14 12 A 1 ATOM 92 C CE1 . PHE A 1 12 ? -0.944 6.146 -2.533 1.00 90.02 12 A 1 ATOM 93 C CE2 . PHE A 1 12 ? -3.182 6.800 -1.899 1.00 89.73 12 A 1 ATOM 94 C CZ . PHE A 1 12 ? -1.994 7.060 -2.585 1.00 90.42 12 A 1 ATOM 95 N N . LEU A 1 13 ? -1.269 1.152 -2.182 1.00 96.34 13 A 1 ATOM 96 C CA . LEU A 1 13 ? -0.437 0.673 -3.285 1.00 95.73 13 A 1 ATOM 97 C C . LEU A 1 13 ? -1.242 -0.215 -4.238 1.00 96.44 13 A 1 ATOM 98 O O . LEU A 1 13 ? -1.162 -0.037 -5.456 1.00 96.18 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 0.775 -0.082 -2.728 1.00 95.40 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 1.820 0.823 -2.061 1.00 90.94 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 2.843 -0.032 -1.317 1.00 87.14 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 2.539 1.693 -3.083 1.00 87.61 13 A 1 ATOM 103 N N . SER A 1 14 ? -2.054 -1.121 -3.709 1.00 97.29 14 A 1 ATOM 104 C CA . SER A 1 14 ? -2.906 -1.995 -4.520 1.00 97.03 14 A 1 ATOM 105 C C . SER A 1 14 ? -3.903 -1.192 -5.359 1.00 97.15 14 A 1 ATOM 106 O O . SER A 1 14 ? -4.082 -1.468 -6.547 1.00 96.34 14 A 1 ATOM 107 C CB . SER A 1 14 ? -3.658 -2.980 -3.624 1.00 96.28 14 A 1 ATOM 108 O OG . SER A 1 14 ? -2.752 -3.800 -2.915 1.00 88.47 14 A 1 ATOM 109 N N . ALA A 1 15 ? -4.520 -0.174 -4.772 1.00 97.03 15 A 1 ATOM 110 C CA . ALA A 1 15 ? -5.443 0.710 -5.484 1.00 96.72 15 A 1 ATOM 111 C C . ALA A 1 15 ? -4.729 1.499 -6.590 1.00 97.22 15 A 1 ATOM 112 O O . ALA A 1 15 ? -5.255 1.628 -7.698 1.00 96.17 15 A 1 ATOM 113 C CB . ALA A 1 15 ? -6.111 1.649 -4.477 1.00 95.92 15 A 1 ATOM 114 N N . SER A 1 16 ? -3.520 1.992 -6.322 1.00 97.34 16 A 1 ATOM 115 C CA . SER A 1 16 ? -2.716 2.731 -7.300 1.00 97.25 16 A 1 ATOM 116 C C . SER A 1 16 ? -2.323 1.855 -8.494 1.00 97.37 16 A 1 ATOM 117 O O . SER A 1 16 ? -2.432 2.288 -9.641 1.00 96.42 16 A 1 ATOM 118 C CB . SER A 1 16 ? -1.463 3.298 -6.635 1.00 96.43 16 A 1 ATOM 119 O OG . SER A 1 16 ? -1.811 4.184 -5.591 1.00 89.38 16 A 1 ATOM 120 N N . VAL A 1 17 ? -1.901 0.619 -8.237 1.00 97.41 17 A 1 ATOM 121 C CA . VAL A 1 17 ? -1.560 -0.337 -9.300 1.00 96.98 17 A 1 ATOM 122 C C . VAL A 1 17 ? -2.791 -0.653 -10.152 1.00 97.25 17 A 1 ATOM 123 O O . VAL A 1 17 ? -2.710 -0.639 -11.379 1.00 96.40 17 A 1 ATOM 124 C CB . VAL A 1 17 ? -0.940 -1.616 -8.709 1.00 95.94 17 A 1 ATOM 125 C CG1 . VAL A 1 17 ? -0.751 -2.696 -9.772 1.00 92.45 17 A 1 ATOM 126 C CG2 . VAL A 1 17 ? 0.417 -1.311 -8.094 1.00 92.85 17 A 1 ATOM 127 N N . SER A 1 18 ? -3.938 -0.881 -9.526 1.00 97.27 18 A 1 ATOM 128 C CA . SER A 1 18 ? -5.191 -1.163 -10.234 1.00 97.05 18 A 1 ATOM 129 C C . SER A 1 18 ? -5.653 0.017 -11.094 1.00 97.19 18 A 1 ATOM 130 O O . SER A 1 18 ? -6.245 -0.190 -12.151 1.00 96.05 18 A 1 ATOM 131 C CB . SER A 1 18 ? -6.294 -1.527 -9.242 1.00 95.78 18 A 1 ATOM 132 O OG . SER A 1 18 ? -5.936 -2.682 -8.506 1.00 85.77 18 A 1 ATOM 133 N N . ALA A 1 19 ? -5.386 1.247 -10.667 1.00 95.71 19 A 1 ATOM 134 C CA . ALA A 1 19 ? -5.731 2.445 -11.432 1.00 95.79 19 A 1 ATOM 135 C C . ALA A 1 19 ? -4.823 2.639 -12.654 1.00 96.50 19 A 1 ATOM 136 O O . ALA A 1 19 ? -5.262 3.181 -13.669 1.00 95.35 19 A 1 ATOM 137 C CB . ALA A 1 19 ? -5.669 3.665 -10.511 1.00 94.42 19 A 1 ATOM 138 N N . PHE A 1 20 ? -3.563 2.201 -12.558 1.00 93.81 20 A 1 ATOM 139 C CA . PHE A 1 20 ? -2.594 2.310 -13.654 1.00 93.71 20 A 1 ATOM 140 C C . PHE A 1 20 ? -2.695 1.147 -14.650 1.00 95.12 20 A 1 ATOM 141 O O . PHE A 1 20 ? -2.543 1.352 -15.857 1.00 94.23 20 A 1 ATOM 142 C CB . PHE A 1 20 ? -1.180 2.394 -13.067 1.00 92.22 20 A 1 ATOM 143 C CG . PHE A 1 20 ? -0.103 2.439 -14.115 1.00 88.76 20 A 1 ATOM 144 C CD1 . PHE A 1 20 ? 0.088 3.589 -14.885 1.00 86.98 20 A 1 ATOM 145 C CD2 . PHE A 1 20 ? 0.693 1.320 -14.356 1.00 87.45 20 A 1 ATOM 146 C CE1 . PHE A 1 20 ? 1.058 3.626 -15.887 1.00 86.76 20 A 1 ATOM 147 C CE2 . PHE A 1 20 ? 1.672 1.347 -15.363 1.00 86.20 20 A 1 ATOM 148 C CZ . PHE A 1 20 ? 1.850 2.503 -16.126 1.00 86.96 20 A 1 ATOM 149 N N . ALA A 1 21 ? -2.923 -0.054 -14.145 1.00 91.82 21 A 1 ATOM 150 C CA . ALA A 1 21 ? -2.962 -1.265 -14.955 1.00 90.27 21 A 1 ATOM 151 C C . ALA A 1 21 ? -4.350 -1.511 -15.555 1.00 87.24 21 A 1 ATOM 152 O O . ALA A 1 21 ? -5.360 -1.233 -14.891 1.00 82.98 21 A 1 ATOM 153 C CB . ALA A 1 21 ? -2.484 -2.455 -14.125 1.00 85.02 21 A 1 ATOM 154 O OXT . ALA A 1 21 ? -4.425 -2.025 -16.685 1.00 76.14 21 A 1 #