# 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_spkb07732 # _entry.id spkb07732 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 ARG 2 1 n LEU 3 1 n TYR 4 1 n LEU 5 1 n PHE 6 1 n PHE 7 1 n ILE 8 1 n SER 9 1 n SER 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n ALA 14 1 n GLU 15 1 n SER 16 1 n ARG 17 1 n ARG 18 1 n SER 19 1 n ILE 20 1 n SER 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 @ 2025-07-08 20:23:16)" _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 87.99 _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 80.94 1 1 A ARG 2 2 75.46 1 2 A LEU 3 2 87.16 1 3 A TYR 4 2 89.34 1 4 A LEU 5 2 90.50 1 5 A PHE 6 2 90.67 1 6 A PHE 7 2 92.14 1 7 A ILE 8 2 90.79 1 8 A SER 9 2 93.36 1 9 A SER 10 2 94.27 1 10 A LEU 11 2 92.23 1 11 A LEU 12 2 93.10 1 12 A LEU 13 2 92.76 1 13 A ALA 14 2 97.27 1 14 A GLU 15 2 87.86 1 15 A SER 16 2 92.47 1 16 A ARG 17 2 82.81 1 17 A ARG 18 2 82.02 1 18 A SER 19 2 89.76 1 19 A ILE 20 2 85.41 1 20 A SER 21 2 80.11 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 ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n SER . 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 ? -13.457 4.115 9.503 1.00 87.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.135 4.714 9.726 1.00 91.04 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.023 3.686 9.493 1.00 92.42 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.921 3.816 10.026 1.00 88.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.055 5.280 11.146 1.00 82.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.920 6.274 11.337 1.00 73.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.960 7.036 12.959 1.00 70.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.486 8.048 12.884 1.00 62.51 1 A 1 ATOM 9 N N . ARG A 1 2 ? -11.334 2.672 8.706 1.00 86.31 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.374 1.608 8.423 1.00 89.88 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.740 1.790 7.048 1.00 90.70 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.558 1.507 6.857 1.00 88.31 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.062 0.243 8.504 1.00 86.28 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -11.499 -0.107 9.915 1.00 74.93 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -10.320 -0.568 10.751 1.00 74.77 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -10.622 -0.547 12.174 1.00 65.70 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -9.857 -1.110 13.100 1.00 61.37 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -8.755 -1.756 12.756 1.00 55.45 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -10.198 -1.028 14.369 1.00 56.31 2 A 1 ATOM 20 N N . LEU A 1 3 ? -10.533 2.257 6.101 1.00 91.44 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -10.052 2.476 4.741 1.00 91.90 3 A 1 ATOM 22 C C . LEU A 1 3 ? -8.910 3.486 4.718 1.00 93.84 3 A 1 ATOM 23 O O . LEU A 1 3 ? -8.003 3.395 3.889 1.00 92.10 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -11.196 2.960 3.851 1.00 89.58 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -10.898 2.907 2.356 1.00 82.86 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -10.838 1.453 1.890 1.00 77.66 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -11.950 3.666 1.580 1.00 77.89 3 A 1 ATOM 28 N N . TYR A 1 4 ? -8.958 4.435 5.639 1.00 93.70 4 A 1 ATOM 29 C CA . TYR A 1 4 ? -7.923 5.463 5.741 1.00 93.88 4 A 1 ATOM 30 C C . TYR A 1 4 ? -6.565 4.839 6.051 1.00 94.71 4 A 1 ATOM 31 O O . TYR A 1 4 ? -5.553 5.200 5.452 1.00 94.14 4 A 1 ATOM 32 C CB . TYR A 1 4 ? -8.295 6.482 6.824 1.00 93.91 4 A 1 ATOM 33 C CG . TYR A 1 4 ? -7.239 7.550 7.026 1.00 89.60 4 A 1 ATOM 34 C CD1 . TYR A 1 4 ? -6.971 8.481 6.031 1.00 85.69 4 A 1 ATOM 35 C CD2 . TYR A 1 4 ? -6.517 7.622 8.207 1.00 86.35 4 A 1 ATOM 36 C CE1 . TYR A 1 4 ? -6.003 9.462 6.213 1.00 83.93 4 A 1 ATOM 37 C CE2 . TYR A 1 4 ? -5.546 8.597 8.397 1.00 85.68 4 A 1 ATOM 38 C CZ . TYR A 1 4 ? -5.297 9.515 7.397 1.00 86.59 4 A 1 ATOM 39 O OH . TYR A 1 4 ? -4.331 10.483 7.581 1.00 83.95 4 A 1 ATOM 40 N N . LEU A 1 5 ? -6.555 3.901 6.985 1.00 94.84 5 A 1 ATOM 41 C CA . LEU A 1 5 ? -5.323 3.216 7.367 1.00 94.74 5 A 1 ATOM 42 C C . LEU A 1 5 ? -4.780 2.397 6.203 1.00 95.59 5 A 1 ATOM 43 O O . LEU A 1 5 ? -3.570 2.363 5.966 1.00 94.97 5 A 1 ATOM 44 C CB . LEU A 1 5 ? -5.581 2.299 8.566 1.00 94.57 5 A 1 ATOM 45 C CG . LEU A 1 5 ? -5.790 3.023 9.888 1.00 85.91 5 A 1 ATOM 46 C CD1 . LEU A 1 5 ? -6.384 2.077 10.920 1.00 80.76 5 A 1 ATOM 47 C CD2 . LEU A 1 5 ? -4.468 3.580 10.401 1.00 82.63 5 A 1 ATOM 48 N N . PHE A 1 6 ? -5.680 1.732 5.496 1.00 94.96 6 A 1 ATOM 49 C CA . PHE A 1 6 ? -5.306 0.925 4.340 1.00 95.09 6 A 1 ATOM 50 C C . PHE A 1 6 ? -4.781 1.809 3.213 1.00 95.98 6 A 1 ATOM 51 O O . PHE A 1 6 ? -3.869 1.421 2.481 1.00 95.54 6 A 1 ATOM 52 C CB . PHE A 1 6 ? -6.512 0.117 3.864 1.00 95.01 6 A 1 ATOM 53 C CG . PHE A 1 6 ? -6.178 -0.837 2.750 1.00 92.29 6 A 1 ATOM 54 C CD1 . PHE A 1 6 ? -5.466 -1.999 3.005 1.00 87.48 6 A 1 ATOM 55 C CD2 . PHE A 1 6 ? -6.576 -0.562 1.451 1.00 87.94 6 A 1 ATOM 56 C CE1 . PHE A 1 6 ? -5.153 -2.874 1.978 1.00 83.79 6 A 1 ATOM 57 C CE2 . PHE A 1 6 ? -6.261 -1.437 0.418 1.00 85.00 6 A 1 ATOM 58 C CZ . PHE A 1 6 ? -5.551 -2.593 0.687 1.00 84.32 6 A 1 ATOM 59 N N . PHE A 1 7 ? -5.365 2.988 3.094 1.00 95.44 7 A 1 ATOM 60 C CA . PHE A 1 7 ? -4.977 3.937 2.056 1.00 95.88 7 A 1 ATOM 61 C C . PHE A 1 7 ? -3.532 4.386 2.245 1.00 96.34 7 A 1 ATOM 62 O O . PHE A 1 7 ? -2.728 4.326 1.315 1.00 95.66 7 A 1 ATOM 63 C CB . PHE A 1 7 ? -5.913 5.147 2.083 1.00 96.03 7 A 1 ATOM 64 C CG . PHE A 1 7 ? -6.023 5.839 0.747 1.00 93.16 7 A 1 ATOM 65 C CD1 . PHE A 1 7 ? -5.072 6.763 0.345 1.00 88.99 7 A 1 ATOM 66 C CD2 . PHE A 1 7 ? -7.084 5.552 -0.104 1.00 89.75 7 A 1 ATOM 67 C CE1 . PHE A 1 7 ? -5.171 7.393 -0.890 1.00 86.89 7 A 1 ATOM 68 C CE2 . PHE A 1 7 ? -7.189 6.183 -1.337 1.00 87.63 7 A 1 ATOM 69 C CZ . PHE A 1 7 ? -6.230 7.102 -1.730 1.00 87.78 7 A 1 ATOM 70 N N . ILE A 1 8 ? -3.207 4.825 3.447 1.00 95.24 8 A 1 ATOM 71 C CA . ILE A 1 8 ? -1.854 5.281 3.750 1.00 94.68 8 A 1 ATOM 72 C C . ILE A 1 8 ? -0.866 4.120 3.735 1.00 95.09 8 A 1 ATOM 73 O O . ILE A 1 8 ? 0.299 4.292 3.376 1.00 93.40 8 A 1 ATOM 74 C CB . ILE A 1 8 ? -1.790 6.000 5.117 1.00 94.16 8 A 1 ATOM 75 C CG1 . ILE A 1 8 ? -2.394 5.148 6.225 1.00 88.12 8 A 1 ATOM 76 C CG2 . ILE A 1 8 ? -2.481 7.355 5.016 1.00 87.18 8 A 1 ATOM 77 C CD1 . ILE A 1 8 ? -2.166 5.705 7.615 1.00 78.47 8 A 1 ATOM 78 N N . SER A 1 9 ? -1.338 2.949 4.126 1.00 96.75 9 A 1 ATOM 79 C CA . SER A 1 9 ? -0.503 1.756 4.155 1.00 96.29 9 A 1 ATOM 80 C C . SER A 1 9 ? -0.121 1.329 2.743 1.00 96.46 9 A 1 ATOM 81 O O . SER A 1 9 ? 1.026 0.966 2.486 1.00 94.97 9 A 1 ATOM 82 C CB . SER A 1 9 ? -1.229 0.613 4.859 1.00 95.52 9 A 1 ATOM 83 O OG . SER A 1 9 ? -0.367 -0.488 5.020 1.00 80.17 9 A 1 ATOM 84 N N . SER A 1 10 ? -1.081 1.377 1.834 1.00 97.01 10 A 1 ATOM 85 C CA . SER A 1 10 ? -0.845 1.006 0.446 1.00 96.78 10 A 1 ATOM 86 C C . SER A 1 10 ? 0.110 1.987 -0.224 1.00 97.00 10 A 1 ATOM 87 O O . SER A 1 10 ? 0.946 1.594 -1.038 1.00 95.58 10 A 1 ATOM 88 C CB . SER A 1 10 ? -2.167 0.953 -0.324 1.00 96.00 10 A 1 ATOM 89 O OG . SER A 1 10 ? -2.823 2.194 -0.295 1.00 83.25 10 A 1 ATOM 90 N N . LEU A 1 11 ? -0.009 3.250 0.133 1.00 96.43 11 A 1 ATOM 91 C CA . LEU A 1 11 ? 0.851 4.293 -0.414 1.00 96.30 11 A 1 ATOM 92 C C . LEU A 1 11 ? 2.291 4.090 0.040 1.00 96.68 11 A 1 ATOM 93 O O . LEU A 1 11 ? 3.226 4.220 -0.752 1.00 95.59 11 A 1 ATOM 94 C CB . LEU A 1 11 ? 0.352 5.670 0.029 1.00 95.97 11 A 1 ATOM 95 C CG . LEU A 1 11 ? 1.015 6.847 -0.683 1.00 88.44 11 A 1 ATOM 96 C CD1 . LEU A 1 11 ? 0.504 6.959 -2.114 1.00 83.55 11 A 1 ATOM 97 C CD2 . LEU A 1 11 ? 0.755 8.143 0.067 1.00 84.91 11 A 1 ATOM 98 N N . LEU A 1 12 ? 2.462 3.772 1.312 1.00 97.28 12 A 1 ATOM 99 C CA . LEU A 1 12 ? 3.784 3.541 1.882 1.00 97.04 12 A 1 ATOM 100 C C . LEU A 1 12 ? 4.396 2.269 1.319 1.00 97.31 12 A 1 ATOM 101 O O . LEU A 1 12 ? 5.605 2.205 1.078 1.00 96.52 12 A 1 ATOM 102 C CB . LEU A 1 12 ? 3.682 3.457 3.408 1.00 96.73 12 A 1 ATOM 103 C CG . LEU A 1 12 ? 4.958 3.831 4.157 1.00 90.62 12 A 1 ATOM 104 C CD1 . LEU A 1 12 ? 4.622 4.350 5.547 1.00 83.86 12 A 1 ATOM 105 C CD2 . LEU A 1 12 ? 5.897 2.641 4.268 1.00 85.45 12 A 1 ATOM 106 N N . LEU A 1 13 ? 3.568 1.260 1.108 1.00 97.73 13 A 1 ATOM 107 C CA . LEU A 1 13 ? 4.017 -0.016 0.565 1.00 97.24 13 A 1 ATOM 108 C C . LEU A 1 13 ? 4.528 0.160 -0.856 1.00 97.46 13 A 1 ATOM 109 O O . LEU A 1 13 ? 5.539 -0.431 -1.242 1.00 96.74 13 A 1 ATOM 110 C CB . LEU A 1 13 ? 2.872 -1.032 0.603 1.00 96.47 13 A 1 ATOM 111 C CG . LEU A 1 13 ? 3.304 -2.481 0.407 1.00 88.53 13 A 1 ATOM 112 C CD1 . LEU A 1 13 ? 2.496 -3.393 1.317 1.00 83.30 13 A 1 ATOM 113 C CD2 . LEU A 1 13 ? 3.146 -2.907 -1.036 1.00 84.59 13 A 1 ATOM 114 N N . ALA A 1 14 ? 3.831 0.968 -1.637 1.00 97.65 14 A 1 ATOM 115 C CA . ALA A 1 14 ? 4.225 1.231 -3.017 1.00 97.56 14 A 1 ATOM 116 C C . ALA A 1 14 ? 5.561 1.961 -3.069 1.00 97.76 14 A 1 ATOM 117 O O . ALA A 1 14 ? 6.403 1.672 -3.919 1.00 96.74 14 A 1 ATOM 118 C CB . ALA A 1 14 ? 3.149 2.053 -3.720 1.00 96.65 14 A 1 ATOM 119 N N . GLU A 1 15 ? 5.749 2.893 -2.149 1.00 97.35 15 A 1 ATOM 120 C CA . GLU A 1 15 ? 6.985 3.661 -2.073 1.00 96.90 15 A 1 ATOM 121 C C . GLU A 1 15 ? 8.141 2.784 -1.613 1.00 96.86 15 A 1 ATOM 122 O O . GLU A 1 15 ? 9.265 2.925 -2.095 1.00 95.20 15 A 1 ATOM 123 C CB . GLU A 1 15 ? 6.809 4.838 -1.113 1.00 95.87 15 A 1 ATOM 124 C CG . GLU A 1 15 ? 7.968 5.816 -1.117 1.00 84.69 15 A 1 ATOM 125 C CD . GLU A 1 15 ? 8.080 6.570 -2.426 1.00 78.04 15 A 1 ATOM 126 O OE1 . GLU A 1 15 ? 8.767 6.078 -3.336 1.00 72.89 15 A 1 ATOM 127 O OE2 . GLU A 1 15 ? 7.477 7.644 -2.541 1.00 72.91 15 A 1 ATOM 128 N N . SER A 1 16 ? 7.858 1.880 -0.696 1.00 96.64 16 A 1 ATOM 129 C CA . SER A 1 16 ? 8.862 0.964 -0.167 1.00 96.03 16 A 1 ATOM 130 C C . SER A 1 16 ? 9.306 -0.025 -1.233 1.00 96.06 16 A 1 ATOM 131 O O . SER A 1 16 ? 10.493 -0.313 -1.370 1.00 93.75 16 A 1 ATOM 132 C CB . SER A 1 16 ? 8.315 0.213 1.045 1.00 94.12 16 A 1 ATOM 133 O OG . SER A 1 16 ? 8.037 1.109 2.105 1.00 78.24 16 A 1 ATOM 134 N N . ARG A 1 17 ? 8.359 -0.537 -1.995 1.00 96.54 17 A 1 ATOM 135 C CA . ARG A 1 17 ? 8.635 -1.501 -3.054 1.00 96.44 17 A 1 ATOM 136 C C . ARG A 1 17 ? 9.538 -0.892 -4.119 1.00 96.30 17 A 1 ATOM 137 O O . ARG A 1 17 ? 10.330 -1.587 -4.750 1.00 93.95 17 A 1 ATOM 138 C CB . ARG A 1 17 ? 7.324 -1.982 -3.681 1.00 95.18 17 A 1 ATOM 139 C CG . ARG A 1 17 ? 7.364 -3.440 -4.081 1.00 85.87 17 A 1 ATOM 140 C CD . ARG A 1 17 ? 6.016 -3.912 -4.611 1.00 81.06 17 A 1 ATOM 141 N NE . ARG A 1 17 ? 5.833 -3.545 -6.015 1.00 73.93 17 A 1 ATOM 142 C CZ . ARG A 1 17 ? 4.781 -3.913 -6.737 1.00 67.75 17 A 1 ATOM 143 N NH1 . ARG A 1 17 ? 3.810 -4.638 -6.207 1.00 62.91 17 A 1 ATOM 144 N NH2 . ARG A 1 17 ? 4.696 -3.558 -8.011 1.00 61.00 17 A 1 ATOM 145 N N . ARG A 1 18 ? 9.416 0.388 -4.303 1.00 96.12 18 A 1 ATOM 146 C CA . ARG A 1 18 ? 10.208 1.108 -5.291 1.00 95.19 18 A 1 ATOM 147 C C . ARG A 1 18 ? 11.604 1.420 -4.764 1.00 94.51 18 A 1 ATOM 148 O O . ARG A 1 18 ? 12.562 1.476 -5.533 1.00 90.23 18 A 1 ATOM 149 C CB . ARG A 1 18 ? 9.487 2.403 -5.667 1.00 92.94 18 A 1 ATOM 150 C CG . ARG A 1 18 ? 10.090 3.116 -6.854 1.00 83.49 18 A 1 ATOM 151 C CD . ARG A 1 18 ? 9.312 4.382 -7.154 1.00 79.19 18 A 1 ATOM 152 N NE . ARG A 1 18 ? 10.210 5.483 -7.505 1.00 73.28 18 A 1 ATOM 153 C CZ . ARG A 1 18 ? 9.940 6.759 -7.278 1.00 68.96 18 A 1 ATOM 154 N NH1 . ARG A 1 18 ? 8.801 7.120 -6.710 1.00 64.92 18 A 1 ATOM 155 N NH2 . ARG A 1 18 ? 10.819 7.691 -7.607 1.00 63.41 18 A 1 ATOM 156 N N . SER A 1 19 ? 11.708 1.613 -3.463 1.00 94.31 19 A 1 ATOM 157 C CA . SER A 1 19 ? 12.980 1.941 -2.823 1.00 93.62 19 A 1 ATOM 158 C C . SER A 1 19 ? 13.809 0.697 -2.513 1.00 93.46 19 A 1 ATOM 159 O O . SER A 1 19 ? 14.942 0.569 -2.966 1.00 88.96 19 A 1 ATOM 160 C CB . SER A 1 19 ? 12.739 2.737 -1.539 1.00 91.05 19 A 1 ATOM 161 O OG . SER A 1 19 ? 12.120 3.978 -1.816 1.00 77.19 19 A 1 ATOM 162 N N . ILE A 1 20 ? 13.229 -0.219 -1.738 1.00 93.30 20 A 1 ATOM 163 C CA . ILE A 1 20 ? 13.921 -1.444 -1.329 1.00 91.31 20 A 1 ATOM 164 C C . ILE A 1 20 ? 13.708 -2.589 -2.313 1.00 88.86 20 A 1 ATOM 165 O O . ILE A 1 20 ? 14.071 -3.730 -2.039 1.00 83.87 20 A 1 ATOM 166 C CB . ILE A 1 20 ? 13.481 -1.890 0.082 1.00 89.57 20 A 1 ATOM 167 C CG1 . ILE A 1 20 ? 11.988 -2.197 0.114 1.00 83.24 20 A 1 ATOM 168 C CG2 . ILE A 1 20 ? 13.834 -0.833 1.107 1.00 80.12 20 A 1 ATOM 169 C CD1 . ILE A 1 20 ? 11.546 -2.925 1.370 1.00 73.02 20 A 1 ATOM 170 N N . SER A 1 21 ? 13.133 -2.266 -3.482 1.00 89.70 21 A 1 ATOM 171 C CA . SER A 1 21 ? 12.828 -3.265 -4.516 1.00 86.38 21 A 1 ATOM 172 C C . SER A 1 21 ? 11.909 -4.360 -3.976 1.00 81.95 21 A 1 ATOM 173 O O . SER A 1 21 ? 10.692 -4.128 -3.915 1.00 75.88 21 A 1 ATOM 174 C CB . SER A 1 21 ? 14.119 -3.886 -5.065 1.00 79.77 21 A 1 ATOM 175 O OG . SER A 1 21 ? 14.940 -2.906 -5.644 1.00 72.03 21 A 1 ATOM 176 O OXT . SER A 1 21 ? 12.372 -5.449 -3.639 1.00 75.04 21 A 1 #