# 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_orba # _entry.id orba # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "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 LYS 2 1 n ILE 3 1 n ALA 4 1 n ASN 5 1 n ASN 6 1 n TYR 7 1 n THR 8 1 n PHE 9 1 n LYS 10 1 n GLN 11 1 n ASN 12 1 n LYS 13 1 n ASP 14 1 n GLY 15 1 n SER 16 1 n VAL 17 1 n THR 18 1 n VAL 19 1 n TYR 20 1 n ASN 21 1 n HIS 22 1 n GLY 23 1 n MET 24 1 n PHE 25 1 n CYS 26 1 n ALA 27 1 n ILE 28 1 n ILE 29 1 n ASP 30 1 n GLU 31 1 n GLY 32 1 n MET 33 1 n SER 34 1 n ARG 35 1 n ALA 36 1 n LYS 37 1 n ARG 38 1 n ILE 39 1 n PHE 40 1 n LEU 41 1 n GLU 42 1 n THR 43 1 n VAL 44 # _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 (3.0.1 @ 2025-04-07 01:07:09)" _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 79.23 _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 40.10 1 1 A LYS 2 2 38.63 1 2 A ILE 3 2 41.16 1 3 A ALA 4 2 50.87 1 4 A ASN 5 2 61.44 1 5 A ASN 6 2 73.14 1 6 A TYR 7 2 81.17 1 7 A THR 8 2 85.86 1 8 A PHE 9 2 86.56 1 9 A LYS 10 2 84.84 1 10 A GLN 11 2 84.95 1 11 A ASN 12 2 91.76 1 12 A LYS 13 2 87.85 1 13 A ASP 14 2 88.98 1 14 A GLY 15 2 90.56 1 15 A SER 16 2 91.48 1 16 A VAL 17 2 89.60 1 17 A THR 18 2 91.41 1 18 A VAL 19 2 87.58 1 19 A TYR 20 2 87.41 1 20 A ASN 21 2 82.61 1 21 A HIS 22 2 77.52 1 22 A GLY 23 2 86.27 1 23 A MET 24 2 80.16 1 24 A PHE 25 2 83.91 1 25 A CYS 26 2 84.43 1 26 A ALA 27 2 89.78 1 27 A ILE 28 2 89.52 1 28 A ILE 29 2 87.70 1 29 A ASP 30 2 84.71 1 30 A GLU 31 2 79.92 1 31 A GLY 32 2 87.26 1 32 A MET 33 2 81.99 1 33 A SER 34 2 85.29 1 34 A ARG 35 2 78.70 1 35 A ALA 36 2 86.66 1 36 A LYS 37 2 81.70 1 37 A ARG 38 2 74.24 1 38 A ILE 39 2 81.79 1 39 A PHE 40 2 76.41 1 40 A LEU 41 2 78.52 1 41 A GLU 42 2 76.75 1 42 A THR 43 2 77.10 1 43 A VAL 44 2 73.74 1 44 # _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 LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n CYS . 26 A 26 A 27 1 n ALA . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n ASP . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n MET . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n PHE . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n VAL . 44 A 44 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? -3.991 -5.492 21.858 1.00 33.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.160 -6.412 20.711 1.00 42.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.326 -5.849 19.565 1.00 46.09 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.654 -4.786 19.064 1.00 46.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.662 -6.517 20.393 1.00 44.25 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.048 -7.629 19.410 1.00 39.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.852 -7.861 19.390 1.00 36.34 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.049 -8.984 17.986 1.00 32.01 1 A 1 ATOM 9 N N . LYS A 1 2 ? -2.161 -6.445 19.233 1.00 38.63 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -1.332 -6.003 18.094 1.00 43.84 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.014 -6.496 16.819 1.00 44.55 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.992 -7.695 16.552 1.00 44.51 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.113 -6.541 18.201 1.00 43.25 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 0.997 -5.765 19.192 1.00 37.78 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 2.437 -6.320 19.201 1.00 35.51 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 3.341 -5.511 20.140 1.00 30.92 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 4.728 -6.044 20.181 1.00 28.66 2 A 1 ATOM 18 N N . ILE A 1 3 ? -2.649 -5.598 16.063 1.00 40.85 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -3.104 -5.895 14.704 1.00 43.87 3 A 1 ATOM 20 C C . ILE A 1 3 ? -1.824 -6.046 13.882 1.00 45.42 3 A 1 ATOM 21 O O . ILE A 1 3 ? -1.089 -5.080 13.689 1.00 43.47 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -4.055 -4.794 14.173 1.00 41.64 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -5.289 -4.649 15.104 1.00 38.02 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -4.497 -5.135 12.736 1.00 39.02 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -6.235 -3.495 14.727 1.00 36.97 3 A 1 ATOM 26 N N . ALA A 1 4 ? -1.491 -7.279 13.488 1.00 48.60 4 A 1 ATOM 27 C CA . ALA A 1 4 ? -0.409 -7.510 12.546 1.00 51.35 4 A 1 ATOM 28 C C . ALA A 1 4 ? -0.857 -6.918 11.206 1.00 55.65 4 A 1 ATOM 29 O O . ALA A 1 4 ? -1.710 -7.492 10.528 1.00 52.33 4 A 1 ATOM 30 C CB . ALA A 1 4 ? -0.110 -9.014 12.482 1.00 46.44 4 A 1 ATOM 31 N N . ASN A 1 5 ? -0.333 -5.743 10.873 1.00 65.44 5 A 1 ATOM 32 C CA . ASN A 1 5 ? -0.628 -5.065 9.619 1.00 67.09 5 A 1 ATOM 33 C C . ASN A 1 5 ? -0.014 -5.872 8.471 1.00 69.83 5 A 1 ATOM 34 O O . ASN A 1 5 ? 1.162 -5.730 8.145 1.00 67.19 5 A 1 ATOM 35 C CB . ASN A 1 5 ? -0.107 -3.619 9.696 1.00 62.14 5 A 1 ATOM 36 C CG . ASN A 1 5 ? -0.957 -2.706 10.567 1.00 56.05 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? -2.042 -3.048 11.008 1.00 52.54 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? -0.496 -1.502 10.832 1.00 51.25 5 A 1 ATOM 39 N N . ASN A 1 6 ? -0.800 -6.790 7.895 1.00 79.18 6 A 1 ATOM 40 C CA . ASN A 1 6 ? -0.361 -7.671 6.822 1.00 80.27 6 A 1 ATOM 41 C C . ASN A 1 6 ? -0.552 -6.963 5.474 1.00 82.75 6 A 1 ATOM 42 O O . ASN A 1 6 ? -1.471 -7.263 4.709 1.00 80.95 6 A 1 ATOM 43 C CB . ASN A 1 6 ? -1.069 -9.030 6.966 1.00 75.58 6 A 1 ATOM 44 C CG . ASN A 1 6 ? -0.262 -10.170 6.360 1.00 67.00 6 A 1 ATOM 45 O OD1 . ASN A 1 6 ? 0.844 -10.016 5.876 1.00 59.99 6 A 1 ATOM 46 N ND2 . ASN A 1 6 ? -0.771 -11.377 6.418 1.00 59.41 6 A 1 ATOM 47 N N . TYR A 1 7 ? 0.280 -5.955 5.225 1.00 85.26 7 A 1 ATOM 48 C CA . TYR A 1 7 ? 0.262 -5.190 3.987 1.00 85.48 7 A 1 ATOM 49 C C . TYR A 1 7 ? 1.000 -5.922 2.867 1.00 86.46 7 A 1 ATOM 50 O O . TYR A 1 7 ? 2.158 -6.320 3.004 1.00 85.51 7 A 1 ATOM 51 C CB . TYR A 1 7 ? 0.838 -3.788 4.201 1.00 84.74 7 A 1 ATOM 52 C CG . TYR A 1 7 ? 0.023 -2.917 5.143 1.00 82.88 7 A 1 ATOM 53 C CD1 . TYR A 1 7 ? -1.300 -2.561 4.811 1.00 78.90 7 A 1 ATOM 54 C CD2 . TYR A 1 7 ? 0.587 -2.466 6.353 1.00 78.68 7 A 1 ATOM 55 C CE1 . TYR A 1 7 ? -2.061 -1.762 5.687 1.00 75.97 7 A 1 ATOM 56 C CE2 . TYR A 1 7 ? -0.173 -1.665 7.229 1.00 76.35 7 A 1 ATOM 57 C CZ . TYR A 1 7 ? -1.497 -1.317 6.899 1.00 77.53 7 A 1 ATOM 58 O OH . TYR A 1 7 ? -2.238 -0.556 7.749 1.00 76.29 7 A 1 ATOM 59 N N . THR A 1 8 ? 0.332 -6.043 1.716 1.00 87.83 8 A 1 ATOM 60 C CA . THR A 1 8 ? 0.909 -6.571 0.479 1.00 88.19 8 A 1 ATOM 61 C C . THR A 1 8 ? 1.008 -5.448 -0.548 1.00 88.81 8 A 1 ATOM 62 O O . THR A 1 8 ? 0.043 -4.724 -0.782 1.00 88.34 8 A 1 ATOM 63 C CB . THR A 1 8 ? 0.081 -7.744 -0.064 1.00 87.03 8 A 1 ATOM 64 O OG1 . THR A 1 8 ? 0.014 -8.763 0.901 1.00 81.80 8 A 1 ATOM 65 C CG2 . THR A 1 8 ? 0.714 -8.368 -1.313 1.00 79.04 8 A 1 ATOM 66 N N . PHE A 1 9 ? 2.167 -5.323 -1.184 1.00 90.05 9 A 1 ATOM 67 C CA . PHE A 1 9 ? 2.443 -4.326 -2.215 1.00 90.12 9 A 1 ATOM 68 C C . PHE A 1 9 ? 2.620 -5.029 -3.559 1.00 91.11 9 A 1 ATOM 69 O O . PHE A 1 9 ? 3.448 -5.938 -3.670 1.00 90.11 9 A 1 ATOM 70 C CB . PHE A 1 9 ? 3.694 -3.522 -1.845 1.00 88.64 9 A 1 ATOM 71 C CG . PHE A 1 9 ? 3.578 -2.726 -0.558 1.00 86.89 9 A 1 ATOM 72 C CD1 . PHE A 1 9 ? 3.247 -1.359 -0.604 1.00 83.83 9 A 1 ATOM 73 C CD2 . PHE A 1 9 ? 3.792 -3.351 0.686 1.00 83.87 9 A 1 ATOM 74 C CE1 . PHE A 1 9 ? 3.125 -0.625 0.586 1.00 82.28 9 A 1 ATOM 75 C CE2 . PHE A 1 9 ? 3.660 -2.617 1.877 1.00 82.14 9 A 1 ATOM 76 C CZ . PHE A 1 9 ? 3.328 -1.254 1.828 1.00 83.14 9 A 1 ATOM 77 N N . LYS A 1 10 ? 1.879 -4.597 -4.586 1.00 90.63 10 A 1 ATOM 78 C CA . LYS A 1 10 ? 1.970 -5.110 -5.954 1.00 90.79 10 A 1 ATOM 79 C C . LYS A 1 10 ? 2.297 -3.972 -6.911 1.00 91.64 10 A 1 ATOM 80 O O . LYS A 1 10 ? 1.539 -3.017 -7.007 1.00 91.91 10 A 1 ATOM 81 C CB . LYS A 1 10 ? 0.651 -5.807 -6.309 1.00 90.39 10 A 1 ATOM 82 C CG . LYS A 1 10 ? 0.706 -6.444 -7.703 1.00 84.19 10 A 1 ATOM 83 C CD . LYS A 1 10 ? -0.626 -7.123 -8.027 1.00 81.56 10 A 1 ATOM 84 C CE . LYS A 1 10 ? -0.576 -7.709 -9.441 1.00 74.02 10 A 1 ATOM 85 N NZ . LYS A 1 10 ? -1.886 -8.286 -9.825 1.00 68.44 10 A 1 ATOM 86 N N . GLN A 1 11 ? 3.405 -4.100 -7.642 1.00 91.58 11 A 1 ATOM 87 C CA . GLN A 1 11 ? 3.735 -3.157 -8.710 1.00 91.62 11 A 1 ATOM 88 C C . GLN A 1 11 ? 2.917 -3.482 -9.960 1.00 92.68 11 A 1 ATOM 89 O O . GLN A 1 11 ? 2.856 -4.639 -10.391 1.00 92.62 11 A 1 ATOM 90 C CB . GLN A 1 11 ? 5.246 -3.179 -8.968 1.00 89.51 11 A 1 ATOM 91 C CG . GLN A 1 11 ? 5.687 -2.012 -9.869 1.00 82.36 11 A 1 ATOM 92 C CD . GLN A 1 11 ? 7.204 -1.838 -9.920 1.00 78.95 11 A 1 ATOM 93 O OE1 . GLN A 1 11 ? 7.980 -2.571 -9.322 1.00 74.68 11 A 1 ATOM 94 N NE2 . GLN A 1 11 ? 7.684 -0.837 -10.623 1.00 70.56 11 A 1 ATOM 95 N N . ASN A 1 12 ? 2.284 -2.468 -10.534 1.00 93.39 12 A 1 ATOM 96 C CA . ASN A 1 12 ? 1.541 -2.546 -11.779 1.00 93.45 12 A 1 ATOM 97 C C . ASN A 1 12 ? 2.476 -2.297 -12.973 1.00 93.64 12 A 1 ATOM 98 O O . ASN A 1 12 ? 3.608 -1.838 -12.832 1.00 92.47 12 A 1 ATOM 99 C CB . ASN A 1 12 ? 0.376 -1.549 -11.715 1.00 92.82 12 A 1 ATOM 100 C CG . ASN A 1 12 ? -0.604 -1.839 -10.593 1.00 92.52 12 A 1 ATOM 101 O OD1 . ASN A 1 12 ? -0.929 -2.981 -10.279 1.00 88.08 12 A 1 ATOM 102 N ND2 . ASN A 1 12 ? -1.110 -0.811 -9.959 1.00 87.73 12 A 1 ATOM 103 N N . LYS A 1 13 ? 1.998 -2.617 -14.189 1.00 93.33 13 A 1 ATOM 104 C CA . LYS A 1 13 ? 2.782 -2.439 -15.426 1.00 93.45 13 A 1 ATOM 105 C C . LYS A 1 13 ? 3.040 -0.969 -15.770 1.00 93.47 13 A 1 ATOM 106 O O . LYS A 1 13 ? 4.005 -0.682 -16.465 1.00 91.83 13 A 1 ATOM 107 C CB . LYS A 1 13 ? 2.074 -3.116 -16.608 1.00 93.91 13 A 1 ATOM 108 C CG . LYS A 1 13 ? 2.060 -4.647 -16.509 1.00 89.81 13 A 1 ATOM 109 C CD . LYS A 1 13 ? 1.449 -5.225 -17.793 1.00 84.49 13 A 1 ATOM 110 C CE . LYS A 1 13 ? 1.448 -6.753 -17.765 1.00 79.01 13 A 1 ATOM 111 N NZ . LYS A 1 13 ? 0.886 -7.313 -19.022 1.00 71.39 13 A 1 ATOM 112 N N . ASP A 1 14 ? 2.179 -0.070 -15.310 1.00 92.93 14 A 1 ATOM 113 C CA . ASP A 1 14 ? 2.294 1.383 -15.483 1.00 92.09 14 A 1 ATOM 114 C C . ASP A 1 14 ? 3.283 2.039 -14.497 1.00 92.13 14 A 1 ATOM 115 O O . ASP A 1 14 ? 3.513 3.239 -14.562 1.00 89.48 14 A 1 ATOM 116 C CB . ASP A 1 14 ? 0.889 2.005 -15.367 1.00 90.64 14 A 1 ATOM 117 C CG . ASP A 1 14 ? 0.180 1.710 -14.038 1.00 86.97 14 A 1 ATOM 118 O OD1 . ASP A 1 14 ? 0.832 1.190 -13.100 1.00 83.83 14 A 1 ATOM 119 O OD2 . ASP A 1 14 ? -1.054 1.895 -13.980 1.00 83.75 14 A 1 ATOM 120 N N . GLY A 1 15 ? 3.892 1.250 -13.602 1.00 91.63 15 A 1 ATOM 121 C CA . GLY A 1 15 ? 4.826 1.727 -12.580 1.00 90.11 15 A 1 ATOM 122 C C . GLY A 1 15 ? 4.180 2.066 -11.237 1.00 91.35 15 A 1 ATOM 123 O O . GLY A 1 15 ? 4.903 2.145 -10.235 1.00 89.14 15 A 1 ATOM 124 N N . SER A 1 16 ? 2.842 2.177 -11.174 1.00 91.21 16 A 1 ATOM 125 C CA . SER A 1 16 ? 2.123 2.404 -9.920 1.00 92.07 16 A 1 ATOM 126 C C . SER A 1 16 ? 2.211 1.193 -8.982 1.00 92.30 16 A 1 ATOM 127 O O . SER A 1 16 ? 2.463 0.054 -9.392 1.00 91.30 16 A 1 ATOM 128 C CB . SER A 1 16 ? 0.664 2.805 -10.183 1.00 91.29 16 A 1 ATOM 129 O OG . SER A 1 16 ? -0.103 1.710 -10.649 1.00 90.70 16 A 1 ATOM 130 N N . VAL A 1 17 ? 1.997 1.412 -7.689 1.00 91.21 17 A 1 ATOM 131 C CA . VAL A 1 17 ? 2.001 0.362 -6.664 1.00 91.41 17 A 1 ATOM 132 C C . VAL A 1 17 ? 0.633 0.271 -6.003 1.00 91.36 17 A 1 ATOM 133 O O . VAL A 1 17 ? 0.174 1.212 -5.366 1.00 90.45 17 A 1 ATOM 134 C CB . VAL A 1 17 ? 3.115 0.592 -5.628 1.00 91.09 17 A 1 ATOM 135 C CG1 . VAL A 1 17 ? 3.115 -0.509 -4.554 1.00 86.16 17 A 1 ATOM 136 C CG2 . VAL A 1 17 ? 4.491 0.586 -6.311 1.00 85.55 17 A 1 ATOM 137 N N . THR A 1 18 ? -0.013 -0.894 -6.112 1.00 92.83 18 A 1 ATOM 138 C CA . THR A 1 18 ? -1.261 -1.190 -5.399 1.00 92.57 18 A 1 ATOM 139 C C . THR A 1 18 ? -0.949 -1.756 -4.020 1.00 91.66 18 A 1 ATOM 140 O O . THR A 1 18 ? -0.171 -2.702 -3.892 1.00 90.38 18 A 1 ATOM 141 C CB . THR A 1 18 ? -2.141 -2.170 -6.182 1.00 92.66 18 A 1 ATOM 142 O OG1 . THR A 1 18 ? -2.317 -1.757 -7.515 1.00 90.33 18 A 1 ATOM 143 C CG2 . THR A 1 18 ? -3.541 -2.285 -5.585 1.00 89.41 18 A 1 ATOM 144 N N . VAL A 1 19 ? -1.583 -1.206 -2.996 1.00 90.01 19 A 1 ATOM 145 C CA . VAL A 1 19 ? -1.455 -1.635 -1.601 1.00 89.43 19 A 1 ATOM 146 C C . VAL A 1 19 ? -2.715 -2.381 -1.172 1.00 89.13 19 A 1 ATOM 147 O O . VAL A 1 19 ? -3.833 -1.903 -1.364 1.00 88.32 19 A 1 ATOM 148 C CB . VAL A 1 19 ? -1.175 -0.452 -0.657 1.00 88.41 19 A 1 ATOM 149 C CG1 . VAL A 1 19 ? -0.818 -0.968 0.744 1.00 83.83 19 A 1 ATOM 150 C CG2 . VAL A 1 19 ? -0.012 0.414 -1.159 1.00 83.95 19 A 1 ATOM 151 N N . TYR A 1 20 ? -2.524 -3.547 -0.570 1.00 89.56 20 A 1 ATOM 152 C CA . TYR A 1 20 ? -3.576 -4.376 0.015 1.00 89.11 20 A 1 ATOM 153 C C . TYR A 1 20 ? -3.313 -4.585 1.509 1.00 88.01 20 A 1 ATOM 154 O O . TYR A 1 20 ? -2.170 -4.786 1.911 1.00 86.61 20 A 1 ATOM 155 C CB . TYR A 1 20 ? -3.627 -5.735 -0.690 1.00 89.39 20 A 1 ATOM 156 C CG . TYR A 1 20 ? -3.908 -5.672 -2.182 1.00 89.31 20 A 1 ATOM 157 C CD1 . TYR A 1 20 ? -5.234 -5.746 -2.655 1.00 85.71 20 A 1 ATOM 158 C CD2 . TYR A 1 20 ? -2.843 -5.551 -3.097 1.00 85.95 20 A 1 ATOM 159 C CE1 . TYR A 1 20 ? -5.496 -5.701 -4.036 1.00 84.99 20 A 1 ATOM 160 C CE2 . TYR A 1 20 ? -3.103 -5.499 -4.480 1.00 85.74 20 A 1 ATOM 161 C CZ . TYR A 1 20 ? -4.431 -5.577 -4.949 1.00 88.02 20 A 1 ATOM 162 O OH . TYR A 1 20 ? -4.684 -5.526 -6.287 1.00 86.55 20 A 1 ATOM 163 N N . ASN A 1 21 ? -4.367 -4.638 2.319 1.00 88.61 21 A 1 ATOM 164 C CA . ASN A 1 21 ? -4.323 -5.072 3.716 1.00 87.33 21 A 1 ATOM 165 C C . ASN A 1 21 ? -5.220 -6.305 3.874 1.00 87.38 21 A 1 ATOM 166 O O . ASN A 1 21 ? -6.405 -6.246 3.547 1.00 85.76 21 A 1 ATOM 167 C CB . ASN A 1 21 ? -4.748 -3.913 4.625 1.00 84.25 21 A 1 ATOM 168 C CG . ASN A 1 21 ? -4.578 -4.223 6.106 1.00 79.83 21 A 1 ATOM 169 O OD1 . ASN A 1 21 ? -4.204 -5.308 6.513 1.00 73.82 21 A 1 ATOM 170 N ND2 . ASN A 1 21 ? -4.853 -3.271 6.962 1.00 73.89 21 A 1 ATOM 171 N N . HIS A 1 22 ? -4.671 -7.432 4.325 1.00 85.25 22 A 1 ATOM 172 C CA . HIS A 1 22 ? -5.408 -8.703 4.429 1.00 84.86 22 A 1 ATOM 173 C C . HIS A 1 22 ? -6.155 -9.098 3.133 1.00 85.06 22 A 1 ATOM 174 O O . HIS A 1 22 ? -7.249 -9.659 3.173 1.00 81.84 22 A 1 ATOM 175 C CB . HIS A 1 22 ? -6.316 -8.673 5.670 1.00 82.86 22 A 1 ATOM 176 C CG . HIS A 1 22 ? -5.555 -8.570 6.966 1.00 78.41 22 A 1 ATOM 177 N ND1 . HIS A 1 22 ? -5.120 -7.421 7.584 1.00 70.36 22 A 1 ATOM 178 C CD2 . HIS A 1 22 ? -5.166 -9.625 7.750 1.00 68.57 22 A 1 ATOM 179 C CE1 . HIS A 1 22 ? -4.482 -7.781 8.714 1.00 68.97 22 A 1 ATOM 180 N NE2 . HIS A 1 22 ? -4.487 -9.110 8.860 1.00 68.98 22 A 1 ATOM 181 N N . GLY A 1 23 ? -5.581 -8.790 1.960 1.00 85.69 23 A 1 ATOM 182 C CA . GLY A 1 23 ? -6.175 -9.057 0.644 1.00 86.25 23 A 1 ATOM 183 C C . GLY A 1 23 ? -7.209 -8.029 0.172 1.00 87.53 23 A 1 ATOM 184 O O . GLY A 1 23 ? -7.621 -8.091 -0.987 1.00 85.60 23 A 1 ATOM 185 N N . MET A 1 24 ? -7.600 -7.064 1.005 1.00 86.45 24 A 1 ATOM 186 C CA . MET A 1 24 ? -8.485 -5.962 0.612 1.00 87.48 24 A 1 ATOM 187 C C . MET A 1 24 ? -7.678 -4.812 0.012 1.00 87.64 24 A 1 ATOM 188 O O . MET A 1 24 ? -6.614 -4.460 0.522 1.00 86.38 24 A 1 ATOM 189 C CB . MET A 1 24 ? -9.308 -5.470 1.809 1.00 85.62 24 A 1 ATOM 190 C CG . MET A 1 24 ? -10.264 -6.552 2.328 1.00 75.65 24 A 1 ATOM 191 S SD . MET A 1 24 ? -11.328 -6.032 3.701 1.00 70.27 24 A 1 ATOM 192 C CE . MET A 1 24 ? -12.347 -4.767 2.895 1.00 61.81 24 A 1 ATOM 193 N N . PHE A 1 25 ? -8.207 -4.206 -1.057 1.00 88.11 25 A 1 ATOM 194 C CA . PHE A 1 25 ? -7.614 -3.017 -1.666 1.00 88.46 25 A 1 ATOM 195 C C . PHE A 1 25 ? -7.589 -1.851 -0.670 1.00 88.20 25 A 1 ATOM 196 O O . PHE A 1 25 ? -8.605 -1.550 -0.048 1.00 85.75 25 A 1 ATOM 197 C CB . PHE A 1 25 ? -8.401 -2.644 -2.924 1.00 88.30 25 A 1 ATOM 198 C CG . PHE A 1 25 ? -7.983 -1.316 -3.522 1.00 86.16 25 A 1 ATOM 199 C CD1 . PHE A 1 25 ? -8.686 -0.135 -3.199 1.00 81.75 25 A 1 ATOM 200 C CD2 . PHE A 1 25 ? -6.858 -1.247 -4.358 1.00 82.16 25 A 1 ATOM 201 C CE1 . PHE A 1 25 ? -8.270 1.099 -3.723 1.00 78.38 25 A 1 ATOM 202 C CE2 . PHE A 1 25 ? -6.444 -0.009 -4.881 1.00 77.86 25 A 1 ATOM 203 C CZ . PHE A 1 25 ? -7.152 1.160 -4.566 1.00 77.88 25 A 1 ATOM 204 N N . CYS A 1 26 ? -6.449 -1.179 -0.564 1.00 88.78 26 A 1 ATOM 205 C CA . CYS A 1 26 ? -6.272 -0.010 0.294 1.00 87.62 26 A 1 ATOM 206 C C . CYS A 1 26 ? -5.992 1.264 -0.504 1.00 87.65 26 A 1 ATOM 207 O O . CYS A 1 26 ? -6.651 2.274 -0.298 1.00 85.32 26 A 1 ATOM 208 C CB . CYS A 1 26 ? -5.126 -0.271 1.277 1.00 83.60 26 A 1 ATOM 209 S SG . CYS A 1 26 ? -5.587 -1.582 2.430 1.00 73.62 26 A 1 ATOM 210 N N . ALA A 1 27 ? -4.998 1.231 -1.391 1.00 89.78 27 A 1 ATOM 211 C CA . ALA A 1 27 ? -4.559 2.416 -2.120 1.00 89.98 27 A 1 ATOM 212 C C . ALA A 1 27 ? -3.785 2.051 -3.393 1.00 91.21 27 A 1 ATOM 213 O O . ALA A 1 27 ? -3.239 0.953 -3.509 1.00 90.10 27 A 1 ATOM 214 C CB . ALA A 1 27 ? -3.681 3.271 -1.190 1.00 87.83 27 A 1 ATOM 215 N N . ILE A 1 28 ? -3.701 3.012 -4.316 1.00 90.60 28 A 1 ATOM 216 C CA . ILE A 1 28 ? -2.733 3.014 -5.418 1.00 91.28 28 A 1 ATOM 217 C C . ILE A 1 28 ? -1.796 4.198 -5.193 1.00 90.73 28 A 1 ATOM 218 O O . ILE A 1 28 ? -2.252 5.311 -4.944 1.00 89.47 28 A 1 ATOM 219 C CB . ILE A 1 28 ? -3.422 3.066 -6.799 1.00 91.52 28 A 1 ATOM 220 C CG1 . ILE A 1 28 ? -4.305 1.814 -7.005 1.00 89.25 28 A 1 ATOM 221 C CG2 . ILE A 1 28 ? -2.368 3.164 -7.923 1.00 88.43 28 A 1 ATOM 222 C CD1 . ILE A 1 28 ? -5.166 1.846 -8.268 1.00 84.85 28 A 1 ATOM 223 N N . ILE A 1 29 ? -0.492 3.943 -5.267 1.00 91.52 29 A 1 ATOM 224 C CA . ILE A 1 29 ? 0.556 4.953 -5.122 1.00 90.77 29 A 1 ATOM 225 C C . ILE A 1 29 ? 1.320 5.011 -6.444 1.00 90.82 29 A 1 ATOM 226 O O . ILE A 1 29 ? 1.917 4.017 -6.853 1.00 90.62 29 A 1 ATOM 227 C CB . ILE A 1 29 ? 1.474 4.624 -3.921 1.00 89.41 29 A 1 ATOM 228 C CG1 . ILE A 1 29 ? 0.660 4.436 -2.616 1.00 85.49 29 A 1 ATOM 229 C CG2 . ILE A 1 29 ? 2.511 5.753 -3.756 1.00 83.52 29 A 1 ATOM 230 C CD1 . ILE A 1 29 ? 1.497 3.981 -1.413 1.00 79.47 29 A 1 ATOM 231 N N . ASP A 1 30 ? 1.294 6.175 -7.105 1.00 91.26 30 A 1 ATOM 232 C CA . ASP A 1 30 ? 1.999 6.413 -8.374 1.00 90.55 30 A 1 ATOM 233 C C . ASP A 1 30 ? 3.483 6.748 -8.129 1.00 90.09 30 A 1 ATOM 234 O O . ASP A 1 30 ? 3.957 7.859 -8.339 1.00 87.81 30 A 1 ATOM 235 C CB . ASP A 1 30 ? 1.250 7.474 -9.188 1.00 88.88 30 A 1 ATOM 236 C CG . ASP A 1 30 ? 1.761 7.567 -10.635 1.00 80.53 30 A 1 ATOM 237 O OD1 . ASP A 1 30 ? 2.364 6.572 -11.112 1.00 74.02 30 A 1 ATOM 238 O OD2 . ASP A 1 30 ? 1.499 8.616 -11.263 1.00 74.54 30 A 1 ATOM 239 N N . GLU A 1 31 ? 4.193 5.781 -7.548 1.00 87.64 31 A 1 ATOM 240 C CA . GLU A 1 31 ? 5.595 5.911 -7.139 1.00 87.04 31 A 1 ATOM 241 C C . GLU A 1 31 ? 6.294 4.551 -7.264 1.00 87.69 31 A 1 ATOM 242 O O . GLU A 1 31 ? 5.679 3.486 -7.181 1.00 84.10 31 A 1 ATOM 243 C CB . GLU A 1 31 ? 5.664 6.419 -5.687 1.00 84.55 31 A 1 ATOM 244 C CG . GLU A 1 31 ? 5.413 7.937 -5.531 1.00 77.56 31 A 1 ATOM 245 C CD . GLU A 1 31 ? 6.624 8.804 -5.919 1.00 74.09 31 A 1 ATOM 246 O OE1 . GLU A 1 31 ? 6.585 10.030 -5.666 1.00 68.03 31 A 1 ATOM 247 O OE2 . GLU A 1 31 ? 7.681 8.254 -6.318 1.00 68.60 31 A 1 ATOM 248 N N . GLY A 1 32 ? 7.606 4.553 -7.406 1.00 87.63 32 A 1 ATOM 249 C CA . GLY A 1 32 ? 8.389 3.312 -7.402 1.00 86.83 32 A 1 ATOM 250 C C . GLY A 1 32 ? 8.214 2.510 -6.104 1.00 88.40 32 A 1 ATOM 251 O O . GLY A 1 32 ? 8.079 3.077 -5.017 1.00 86.19 32 A 1 ATOM 252 N N . MET A 1 33 ? 8.299 1.175 -6.179 1.00 87.17 33 A 1 ATOM 253 C CA . MET A 1 33 ? 7.998 0.247 -5.070 1.00 88.00 33 A 1 ATOM 254 C C . MET A 1 33 ? 8.670 0.612 -3.734 1.00 88.03 33 A 1 ATOM 255 O O . MET A 1 33 ? 8.026 0.574 -2.684 1.00 86.40 33 A 1 ATOM 256 C CB . MET A 1 33 ? 8.416 -1.171 -5.506 1.00 85.62 33 A 1 ATOM 257 C CG . MET A 1 33 ? 8.137 -2.239 -4.448 1.00 78.69 33 A 1 ATOM 258 S SD . MET A 1 33 ? 6.401 -2.542 -4.033 1.00 74.36 33 A 1 ATOM 259 C CE . MET A 1 33 ? 5.874 -3.445 -5.514 1.00 67.65 33 A 1 ATOM 260 N N . SER A 1 34 ? 9.964 0.967 -3.740 1.00 87.73 34 A 1 ATOM 261 C CA . SER A 1 34 ? 10.698 1.318 -2.516 1.00 87.76 34 A 1 ATOM 262 C C . SER A 1 34 ? 10.169 2.599 -1.870 1.00 87.44 34 A 1 ATOM 263 O O . SER A 1 34 ? 10.037 2.667 -0.649 1.00 86.16 34 A 1 ATOM 264 C CB . SER A 1 34 ? 12.189 1.495 -2.826 1.00 86.48 34 A 1 ATOM 265 O OG . SER A 1 34 ? 12.702 0.310 -3.400 1.00 76.15 34 A 1 ATOM 266 N N . ARG A 1 35 ? 9.819 3.597 -2.695 1.00 90.71 35 A 1 ATOM 267 C CA . ARG A 1 35 ? 9.287 4.882 -2.236 1.00 90.59 35 A 1 ATOM 268 C C . ARG A 1 35 ? 7.836 4.748 -1.779 1.00 90.64 35 A 1 ATOM 269 O O . ARG A 1 35 ? 7.505 5.228 -0.699 1.00 89.50 35 A 1 ATOM 270 C CB . ARG A 1 35 ? 9.477 5.910 -3.357 1.00 89.57 35 A 1 ATOM 271 C CG . ARG A 1 35 ? 9.207 7.331 -2.862 1.00 81.49 35 A 1 ATOM 272 C CD . ARG A 1 35 ? 9.686 8.338 -3.912 1.00 77.62 35 A 1 ATOM 273 N NE . ARG A 1 35 ? 9.344 9.715 -3.511 1.00 72.20 35 A 1 ATOM 274 C CZ . ARG A 1 35 ? 9.948 10.819 -3.903 1.00 65.61 35 A 1 ATOM 275 N NH1 . ARG A 1 35 ? 10.968 10.815 -4.711 1.00 61.53 35 A 1 ATOM 276 N NH2 . ARG A 1 35 ? 9.518 11.975 -3.483 1.00 56.24 35 A 1 ATOM 277 N N . ALA A 1 36 ? 7.012 3.999 -2.518 1.00 88.14 36 A 1 ATOM 278 C CA . ALA A 1 36 ? 5.633 3.697 -2.148 1.00 87.37 36 A 1 ATOM 279 C C . ALA A 1 36 ? 5.532 2.998 -0.784 1.00 86.74 36 A 1 ATOM 280 O O . ALA A 1 36 ? 4.753 3.412 0.073 1.00 85.03 36 A 1 ATOM 281 C CB . ALA A 1 36 ? 5.022 2.830 -3.253 1.00 86.01 36 A 1 ATOM 282 N N . LYS A 1 37 ? 6.370 1.981 -0.538 1.00 89.09 37 A 1 ATOM 283 C CA . LYS A 1 37 ? 6.438 1.304 0.767 1.00 87.28 37 A 1 ATOM 284 C C . LYS A 1 37 ? 6.779 2.268 1.891 1.00 86.84 37 A 1 ATOM 285 O O . LYS A 1 37 ? 6.134 2.234 2.931 1.00 85.44 37 A 1 ATOM 286 C CB . LYS A 1 37 ? 7.475 0.176 0.742 1.00 85.97 37 A 1 ATOM 287 C CG . LYS A 1 37 ? 6.945 -1.067 0.031 1.00 81.33 37 A 1 ATOM 288 C CD . LYS A 1 37 ? 8.009 -2.165 0.031 1.00 78.79 37 A 1 ATOM 289 C CE . LYS A 1 37 ? 7.446 -3.414 -0.636 1.00 73.88 37 A 1 ATOM 290 N NZ . LYS A 1 37 ? 8.422 -4.529 -0.611 1.00 66.72 37 A 1 ATOM 291 N N . ARG A 1 38 ? 7.777 3.123 1.683 1.00 85.78 38 A 1 ATOM 292 C CA . ARG A 1 38 ? 8.205 4.093 2.690 1.00 85.12 38 A 1 ATOM 293 C C . ARG A 1 38 ? 7.091 5.085 3.020 1.00 84.63 38 A 1 ATOM 294 O O . ARG A 1 38 ? 6.733 5.199 4.187 1.00 82.88 38 A 1 ATOM 295 C CB . ARG A 1 38 ? 9.489 4.778 2.218 1.00 84.08 38 A 1 ATOM 296 C CG . ARG A 1 38 ? 9.989 5.744 3.291 1.00 75.65 38 A 1 ATOM 297 C CD . ARG A 1 38 ? 11.319 6.361 2.881 1.00 76.06 38 A 1 ATOM 298 N NE . ARG A 1 38 ? 11.727 7.307 3.920 1.00 68.37 38 A 1 ATOM 299 C CZ . ARG A 1 38 ? 12.847 7.977 4.016 1.00 62.57 38 A 1 ATOM 300 N NH1 . ARG A 1 38 ? 13.803 7.891 3.119 1.00 57.99 38 A 1 ATOM 301 N NH2 . ARG A 1 38 ? 13.000 8.757 5.041 1.00 53.53 38 A 1 ATOM 302 N N . ILE A 1 39 ? 6.512 5.733 1.999 1.00 86.17 39 A 1 ATOM 303 C CA . ILE A 1 39 ? 5.423 6.711 2.169 1.00 84.10 39 A 1 ATOM 304 C C . ILE A 1 39 ? 4.249 6.074 2.913 1.00 83.17 39 A 1 ATOM 305 O O . ILE A 1 39 ? 3.737 6.640 3.876 1.00 81.75 39 A 1 ATOM 306 C CB . ILE A 1 39 ? 4.977 7.260 0.794 1.00 84.12 39 A 1 ATOM 307 C CG1 . ILE A 1 39 ? 6.099 8.134 0.183 1.00 80.53 39 A 1 ATOM 308 C CG2 . ILE A 1 39 ? 3.671 8.078 0.905 1.00 79.15 39 A 1 ATOM 309 C CD1 . ILE A 1 39 ? 5.880 8.465 -1.300 1.00 75.31 39 A 1 ATOM 310 N N . PHE A 1 40 ? 3.823 4.869 2.501 1.00 84.32 40 A 1 ATOM 311 C CA . PHE A 1 40 ? 2.687 4.198 3.117 1.00 82.40 40 A 1 ATOM 312 C C . PHE A 1 40 ? 2.949 3.838 4.585 1.00 82.16 40 A 1 ATOM 313 O O . PHE A 1 40 ? 2.121 4.125 5.440 1.00 80.97 40 A 1 ATOM 314 C CB . PHE A 1 40 ? 2.322 2.971 2.276 1.00 80.92 40 A 1 ATOM 315 C CG . PHE A 1 40 ? 1.023 2.343 2.722 1.00 77.99 40 A 1 ATOM 316 C CD1 . PHE A 1 40 ? 1.028 1.256 3.612 1.00 71.51 40 A 1 ATOM 317 C CD2 . PHE A 1 40 ? -0.199 2.891 2.291 1.00 72.83 40 A 1 ATOM 318 C CE1 . PHE A 1 40 ? -0.187 0.723 4.072 1.00 68.62 40 A 1 ATOM 319 C CE2 . PHE A 1 40 ? -1.413 2.357 2.753 1.00 68.79 40 A 1 ATOM 320 C CZ . PHE A 1 40 ? -1.407 1.274 3.645 1.00 70.03 40 A 1 ATOM 321 N N . LEU A 1 41 ? 4.111 3.254 4.898 1.00 82.89 41 A 1 ATOM 322 C CA . LEU A 1 41 ? 4.468 2.860 6.268 1.00 82.20 41 A 1 ATOM 323 C C . LEU A 1 41 ? 4.737 4.052 7.198 1.00 82.67 41 A 1 ATOM 324 O O . LEU A 1 41 ? 4.626 3.897 8.408 1.00 80.72 41 A 1 ATOM 325 C CB . LEU A 1 41 ? 5.701 1.939 6.232 1.00 80.31 41 A 1 ATOM 326 C CG . LEU A 1 41 ? 5.457 0.556 5.600 1.00 75.57 41 A 1 ATOM 327 C CD1 . LEU A 1 41 ? 6.794 -0.179 5.458 1.00 71.83 41 A 1 ATOM 328 C CD2 . LEU A 1 41 ? 4.529 -0.318 6.448 1.00 71.96 41 A 1 ATOM 329 N N . GLU A 1 42 ? 5.100 5.220 6.666 1.00 80.50 42 A 1 ATOM 330 C CA . GLU A 1 42 ? 5.257 6.456 7.449 1.00 81.34 42 A 1 ATOM 331 C C . GLU A 1 42 ? 3.906 7.156 7.713 1.00 81.00 42 A 1 ATOM 332 O O . GLU A 1 42 ? 3.829 8.023 8.581 1.00 78.87 42 A 1 ATOM 333 C CB . GLU A 1 42 ? 6.245 7.408 6.727 1.00 81.14 42 A 1 ATOM 334 C CG . GLU A 1 42 ? 7.725 6.961 6.834 1.00 76.13 42 A 1 ATOM 335 C CD . GLU A 1 42 ? 8.727 7.833 6.022 1.00 73.42 42 A 1 ATOM 336 O OE1 . GLU A 1 42 ? 9.965 7.591 6.114 1.00 67.80 42 A 1 ATOM 337 O OE2 . GLU A 1 42 ? 8.305 8.724 5.254 1.00 70.53 42 A 1 ATOM 338 N N . THR A 1 43 ? 2.847 6.803 6.961 1.00 81.88 43 A 1 ATOM 339 C CA . THR A 1 43 ? 1.525 7.462 7.028 1.00 79.74 43 A 1 ATOM 340 C C . THR A 1 43 ? 0.496 6.675 7.859 1.00 78.55 43 A 1 ATOM 341 O O . THR A 1 43 ? -0.500 7.254 8.302 1.00 76.08 43 A 1 ATOM 342 C CB . THR A 1 43 ? 0.992 7.713 5.602 1.00 78.67 43 A 1 ATOM 343 O OG1 . THR A 1 43 ? 1.949 8.389 4.805 1.00 73.82 43 A 1 ATOM 344 C CG2 . THR A 1 43 ? -0.248 8.605 5.554 1.00 70.99 43 A 1 ATOM 345 N N . VAL A 1 44 ? 0.705 5.373 8.080 1.00 83.56 44 A 1 ATOM 346 C CA . VAL A 1 44 ? -0.234 4.442 8.748 1.00 80.04 44 A 1 ATOM 347 C C . VAL A 1 44 ? 0.339 3.908 10.054 1.00 74.70 44 A 1 ATOM 348 O O . VAL A 1 44 ? -0.424 3.893 11.057 1.00 70.13 44 A 1 ATOM 349 C CB . VAL A 1 44 ? -0.611 3.277 7.813 1.00 74.64 44 A 1 ATOM 350 C CG1 . VAL A 1 44 ? -1.690 2.388 8.450 1.00 67.85 44 A 1 ATOM 351 C CG2 . VAL A 1 44 ? -1.154 3.771 6.473 1.00 68.75 44 A 1 ATOM 352 O OXT . VAL A 1 44 ? 1.506 3.482 10.032 1.00 70.25 44 A 1 #