# 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_orf46 # _entry.id orf46 # 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" "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 GLU 3 1 n GLU 4 1 n THR 5 1 n VAL 6 1 n ILE 7 1 n LEU 8 1 n MET 9 1 n GLN 10 1 n LYS 11 1 n ILE 12 1 n GLN 13 1 n ARG 14 1 n LEU 15 1 n GLN 16 1 n ASP 17 1 n GLU 18 1 n LEU 19 1 n ASN 20 1 n ASP 21 1 n ALA 22 1 n ILE 23 1 n CYS 24 1 n ARG 25 1 n ALA 26 1 n ALA 27 1 n SER 28 1 n LYS 29 1 n LYS 30 1 n ILE 31 1 n HIS 32 1 n SER 33 1 n GLU 34 1 n LEU 35 1 n GLU 36 1 n ILE 37 1 n HIS 38 1 n GLN 39 1 n ARG 40 1 n GLN 41 1 n VAL 42 1 n THR 43 1 n SER 44 1 n GLU 45 1 n ALA 46 1 n VAL 47 1 n VAL 48 1 n GLU 49 1 n GLN 50 1 n VAL 51 1 n VAL 52 1 n VAL 53 1 n ASN 54 1 n LEU 55 1 n ASN 56 1 n ILE 57 1 n SER 58 1 n LEU 59 1 n LYS 60 1 n GLY 61 1 n PHE 62 # _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 01:28:42)" _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 69.09 _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 75.37 1 1 A ASN 2 2 80.84 1 2 A GLU 3 2 76.53 1 3 A GLU 4 2 77.75 1 4 A THR 5 2 81.63 1 5 A VAL 6 2 82.14 1 6 A ILE 7 2 86.88 1 7 A LEU 8 2 78.57 1 8 A MET 9 2 79.40 1 9 A GLN 10 2 84.18 1 10 A LYS 11 2 77.53 1 11 A ILE 12 2 80.59 1 12 A GLN 13 2 78.17 1 13 A ARG 14 2 73.39 1 14 A LEU 15 2 73.85 1 15 A GLN 16 2 73.06 1 16 A ASP 17 2 82.86 1 17 A GLU 18 2 78.29 1 18 A LEU 19 2 72.09 1 19 A ASN 20 2 71.69 1 20 A ASP 21 2 78.01 1 21 A ALA 22 2 75.35 1 22 A ILE 23 2 73.68 1 23 A CYS 24 2 72.75 1 24 A ARG 25 2 69.90 1 25 A ALA 26 2 75.45 1 26 A ALA 27 2 77.79 1 27 A SER 28 2 70.51 1 28 A LYS 29 2 70.46 1 29 A LYS 30 2 67.10 1 30 A ILE 31 2 66.18 1 31 A HIS 32 2 56.86 1 32 A SER 33 2 66.72 1 33 A GLU 34 2 61.62 1 34 A LEU 35 2 59.42 1 35 A GLU 36 2 65.19 1 36 A ILE 37 2 62.57 1 37 A HIS 38 2 55.34 1 38 A GLN 39 2 60.99 1 39 A ARG 40 2 57.25 1 40 A GLN 41 2 61.36 1 41 A VAL 42 2 60.77 1 42 A THR 43 2 61.01 1 43 A SER 44 2 61.20 1 44 A GLU 45 2 63.46 1 45 A ALA 46 2 67.91 1 46 A VAL 47 2 63.06 1 47 A VAL 48 2 60.52 1 48 A GLU 49 2 62.24 1 49 A GLN 50 2 61.29 1 50 A VAL 51 2 62.16 1 51 A VAL 52 2 64.01 1 52 A VAL 53 2 68.71 1 53 A ASN 54 2 64.57 1 54 A LEU 55 2 61.50 1 55 A ASN 56 2 63.27 1 56 A ILE 57 2 65.67 1 57 A SER 58 2 62.81 1 58 A LEU 59 2 62.96 1 59 A LYS 60 2 65.88 1 60 A GLY 61 2 63.70 1 61 A PHE 62 2 59.59 1 62 # _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 GLU . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n CYS . 24 A 24 A 25 1 n ARG . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n ALA . 27 A 27 A 28 1 n SER . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n HIS . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n HIS . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n ARG . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n GLN . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n VAL . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n LEU . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n PHE . 62 A 62 # _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 ? -32.205 -13.619 -26.734 1.00 78.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? -31.390 -12.453 -26.339 1.00 85.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -31.012 -11.746 -27.625 1.00 85.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -30.578 -12.442 -28.537 1.00 83.19 1 A 1 ATOM 5 C CB . MET A 1 1 ? -30.153 -12.924 -25.557 1.00 79.16 1 A 1 ATOM 6 C CG . MET A 1 1 ? -29.733 -11.926 -24.483 1.00 68.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? -28.270 -12.450 -23.540 1.00 64.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -28.927 -13.815 -22.553 1.00 57.05 1 A 1 ATOM 9 N N . ASN A 1 2 ? -31.262 -10.451 -27.791 1.00 85.99 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -30.909 -9.745 -29.027 1.00 87.64 2 A 1 ATOM 11 C C . ASN A 1 2 ? -29.390 -9.457 -29.049 1.00 86.94 2 A 1 ATOM 12 O O . ASN A 1 2 ? -28.742 -9.443 -28.000 1.00 85.45 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -31.819 -8.507 -29.230 1.00 83.07 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -31.599 -7.365 -28.255 1.00 79.10 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -30.751 -7.420 -27.394 1.00 70.23 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -32.362 -6.300 -28.362 1.00 68.33 2 A 1 ATOM 17 N N . GLU A 1 3 ? -28.797 -9.259 -30.235 1.00 80.06 3 A 1 ATOM 18 C CA . GLU A 1 3 ? -27.353 -8.999 -30.396 1.00 85.51 3 A 1 ATOM 19 C C . GLU A 1 3 ? -26.884 -7.768 -29.602 1.00 84.59 3 A 1 ATOM 20 O O . GLU A 1 3 ? -25.820 -7.791 -28.989 1.00 82.05 3 A 1 ATOM 21 C CB . GLU A 1 3 ? -27.024 -8.801 -31.884 1.00 84.81 3 A 1 ATOM 22 C CG . GLU A 1 3 ? -27.067 -10.119 -32.671 1.00 74.49 3 A 1 ATOM 23 C CD . GLU A 1 3 ? -26.683 -9.937 -34.148 1.00 68.74 3 A 1 ATOM 24 O OE1 . GLU A 1 3 ? -26.170 -10.917 -34.732 1.00 62.19 3 A 1 ATOM 25 O OE2 . GLU A 1 3 ? -26.927 -8.833 -34.679 1.00 66.31 3 A 1 ATOM 26 N N . GLU A 1 4 ? -27.711 -6.717 -29.526 1.00 83.15 4 A 1 ATOM 27 C CA . GLU A 1 4 ? -27.412 -5.493 -28.772 1.00 86.43 4 A 1 ATOM 28 C C . GLU A 1 4 ? -27.230 -5.771 -27.274 1.00 86.98 4 A 1 ATOM 29 O O . GLU A 1 4 ? -26.310 -5.245 -26.648 1.00 83.97 4 A 1 ATOM 30 C CB . GLU A 1 4 ? -28.547 -4.476 -28.953 1.00 86.18 4 A 1 ATOM 31 C CG . GLU A 1 4 ? -28.695 -3.987 -30.401 1.00 74.47 4 A 1 ATOM 32 C CD . GLU A 1 4 ? -29.838 -2.968 -30.560 1.00 68.81 4 A 1 ATOM 33 O OE1 . GLU A 1 4 ? -29.765 -2.166 -31.512 1.00 63.00 4 A 1 ATOM 34 O OE2 . GLU A 1 4 ? -30.784 -3.019 -29.734 1.00 66.73 4 A 1 ATOM 35 N N . THR A 1 5 ? -28.061 -6.641 -26.692 1.00 84.64 5 A 1 ATOM 36 C CA . THR A 1 5 ? -27.951 -7.044 -25.283 1.00 84.49 5 A 1 ATOM 37 C C . THR A 1 5 ? -26.646 -7.798 -25.026 1.00 83.51 5 A 1 ATOM 38 O O . THR A 1 5 ? -25.982 -7.545 -24.023 1.00 83.59 5 A 1 ATOM 39 C CB . THR A 1 5 ? -29.151 -7.906 -24.855 1.00 82.34 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -30.370 -7.251 -25.125 1.00 77.21 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -29.159 -8.197 -23.356 1.00 75.62 5 A 1 ATOM 42 N N . VAL A 1 6 ? -26.234 -8.688 -25.933 1.00 84.99 6 A 1 ATOM 43 C CA . VAL A 1 6 ? -24.967 -9.427 -25.821 1.00 84.48 6 A 1 ATOM 44 C C . VAL A 1 6 ? -23.774 -8.466 -25.864 1.00 85.66 6 A 1 ATOM 45 O O . VAL A 1 6 ? -22.889 -8.542 -25.011 1.00 85.39 6 A 1 ATOM 46 C CB . VAL A 1 6 ? -24.864 -10.502 -26.920 1.00 81.03 6 A 1 ATOM 47 C CG1 . VAL A 1 6 ? -23.520 -11.235 -26.874 1.00 76.83 6 A 1 ATOM 48 C CG2 . VAL A 1 6 ? -25.977 -11.550 -26.766 1.00 76.59 6 A 1 ATOM 49 N N . ILE A 1 7 ? -23.764 -7.516 -26.805 1.00 88.00 7 A 1 ATOM 50 C CA . ILE A 1 7 ? -22.709 -6.497 -26.923 1.00 87.26 7 A 1 ATOM 51 C C . ILE A 1 7 ? -22.643 -5.629 -25.660 1.00 87.87 7 A 1 ATOM 52 O O . ILE A 1 7 ? -21.552 -5.341 -25.156 1.00 88.19 7 A 1 ATOM 53 C CB . ILE A 1 7 ? -22.947 -5.642 -28.190 1.00 87.85 7 A 1 ATOM 54 C CG1 . ILE A 1 7 ? -22.747 -6.496 -29.465 1.00 87.85 7 A 1 ATOM 55 C CG2 . ILE A 1 7 ? -22.011 -4.416 -28.221 1.00 86.67 7 A 1 ATOM 56 C CD1 . ILE A 1 7 ? -23.267 -5.833 -30.744 1.00 81.37 7 A 1 ATOM 57 N N . LEU A 1 8 ? -23.789 -5.218 -25.114 1.00 85.61 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -23.851 -4.417 -23.892 1.00 82.51 8 A 1 ATOM 59 C C . LEU A 1 8 ? -23.304 -5.188 -22.681 1.00 83.19 8 A 1 ATOM 60 O O . LEU A 1 8 ? -22.493 -4.644 -21.934 1.00 87.32 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -25.300 -3.940 -23.676 1.00 81.92 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -25.480 -2.989 -22.479 1.00 71.62 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -24.703 -1.681 -22.662 1.00 64.69 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -26.960 -2.652 -22.301 1.00 71.67 8 A 1 ATOM 65 N N . MET A 1 9 ? -23.668 -6.456 -22.505 1.00 85.62 9 A 1 ATOM 66 C CA . MET A 1 9 ? -23.149 -7.304 -21.426 1.00 84.46 9 A 1 ATOM 67 C C . MET A 1 9 ? -21.628 -7.485 -21.521 1.00 85.65 9 A 1 ATOM 68 O O . MET A 1 9 ? -20.937 -7.376 -20.511 1.00 88.92 9 A 1 ATOM 69 C CB . MET A 1 9 ? -23.857 -8.669 -21.432 1.00 83.55 9 A 1 ATOM 70 C CG . MET A 1 9 ? -25.307 -8.565 -20.949 1.00 76.93 9 A 1 ATOM 71 S SD . MET A 1 9 ? -26.186 -10.154 -20.862 1.00 69.38 9 A 1 ATOM 72 C CE . MET A 1 9 ? -25.864 -10.590 -19.123 1.00 60.67 9 A 1 ATOM 73 N N . GLN A 1 10 ? -21.082 -7.674 -22.729 1.00 84.84 10 A 1 ATOM 74 C CA . GLN A 1 10 ? -19.633 -7.758 -22.935 1.00 84.85 10 A 1 ATOM 75 C C . GLN A 1 10 ? -18.914 -6.452 -22.573 1.00 85.82 10 A 1 ATOM 76 O O . GLN A 1 10 ? -17.830 -6.487 -21.990 1.00 87.62 10 A 1 ATOM 77 C CB . GLN A 1 10 ? -19.339 -8.106 -24.399 1.00 85.31 10 A 1 ATOM 78 C CG . GLN A 1 10 ? -19.673 -9.566 -24.738 1.00 84.78 10 A 1 ATOM 79 C CD . GLN A 1 10 ? -19.460 -9.868 -26.218 1.00 82.71 10 A 1 ATOM 80 O OE1 . GLN A 1 10 ? -19.137 -9.015 -27.034 1.00 82.53 10 A 1 ATOM 81 N NE2 . GLN A 1 10 ? -19.622 -11.106 -26.626 1.00 79.14 10 A 1 ATOM 82 N N . LYS A 1 11 ? -19.493 -5.283 -22.897 1.00 83.32 11 A 1 ATOM 83 C CA . LYS A 1 11 ? -18.939 -3.979 -22.502 1.00 81.78 11 A 1 ATOM 84 C C . LYS A 1 11 ? -18.948 -3.801 -20.985 1.00 83.05 11 A 1 ATOM 85 O O . LYS A 1 11 ? -17.942 -3.366 -20.431 1.00 85.95 11 A 1 ATOM 86 C CB . LYS A 1 11 ? -19.711 -2.833 -23.173 1.00 82.61 11 A 1 ATOM 87 C CG . LYS A 1 11 ? -19.368 -2.685 -24.660 1.00 75.69 11 A 1 ATOM 88 C CD . LYS A 1 11 ? -20.199 -1.546 -25.269 1.00 74.18 11 A 1 ATOM 89 C CE . LYS A 1 11 ? -19.855 -1.366 -26.749 1.00 67.31 11 A 1 ATOM 90 N NZ . LYS A 1 11 ? -20.623 -0.240 -27.350 1.00 63.88 11 A 1 ATOM 91 N N . ILE A 1 12 ? -20.042 -4.161 -20.313 1.00 84.31 12 A 1 ATOM 92 C CA . ILE A 1 12 ? -20.150 -4.102 -18.849 1.00 81.87 12 A 1 ATOM 93 C C . ILE A 1 12 ? -19.087 -4.997 -18.206 1.00 81.47 12 A 1 ATOM 94 O O . ILE A 1 12 ? -18.383 -4.531 -17.311 1.00 80.52 12 A 1 ATOM 95 C CB . ILE A 1 12 ? -21.584 -4.470 -18.394 1.00 81.14 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? -22.566 -3.346 -18.800 1.00 80.28 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? -21.644 -4.701 -16.869 1.00 76.99 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? -24.044 -3.738 -18.671 1.00 78.10 12 A 1 ATOM 99 N N . GLN A 1 13 ? -18.914 -6.229 -18.685 1.00 82.14 13 A 1 ATOM 100 C CA . GLN A 1 13 ? -17.908 -7.148 -18.152 1.00 82.11 13 A 1 ATOM 101 C C . GLN A 1 13 ? -16.492 -6.569 -18.271 1.00 81.79 13 A 1 ATOM 102 O O . GLN A 1 13 ? -15.760 -6.535 -17.286 1.00 85.40 13 A 1 ATOM 103 C CB . GLN A 1 13 ? -18.023 -8.508 -18.868 1.00 85.85 13 A 1 ATOM 104 C CG . GLN A 1 13 ? -17.130 -9.577 -18.217 1.00 77.06 13 A 1 ATOM 105 C CD . GLN A 1 13 ? -17.530 -9.843 -16.768 1.00 72.62 13 A 1 ATOM 106 O OE1 . GLN A 1 13 ? -18.683 -10.109 -16.475 1.00 70.63 13 A 1 ATOM 107 N NE2 . GLN A 1 13 ? -16.616 -9.765 -15.831 1.00 65.95 13 A 1 ATOM 108 N N . ARG A 1 14 ? -16.113 -6.017 -19.443 1.00 83.26 14 A 1 ATOM 109 C CA . ARG A 1 14 ? -14.798 -5.377 -19.626 1.00 84.33 14 A 1 ATOM 110 C C . ARG A 1 14 ? -14.576 -4.208 -18.669 1.00 84.60 14 A 1 ATOM 111 O O . ARG A 1 14 ? -13.510 -4.107 -18.076 1.00 85.60 14 A 1 ATOM 112 C CB . ARG A 1 14 ? -14.631 -4.891 -21.073 1.00 87.65 14 A 1 ATOM 113 C CG . ARG A 1 14 ? -14.414 -6.055 -22.041 1.00 77.80 14 A 1 ATOM 114 C CD . ARG A 1 14 ? -14.242 -5.493 -23.450 1.00 75.89 14 A 1 ATOM 115 N NE . ARG A 1 14 ? -14.141 -6.576 -24.446 1.00 63.89 14 A 1 ATOM 116 C CZ . ARG A 1 14 ? -13.934 -6.416 -25.739 1.00 58.95 14 A 1 ATOM 117 N NH1 . ARG A 1 14 ? -13.767 -5.231 -26.267 1.00 55.68 14 A 1 ATOM 118 N NH2 . ARG A 1 14 ? -13.893 -7.451 -26.532 1.00 49.65 14 A 1 ATOM 119 N N . LEU A 1 15 ? -15.584 -3.348 -18.485 1.00 78.95 15 A 1 ATOM 120 C CA . LEU A 1 15 ? -15.488 -2.222 -17.549 1.00 75.42 15 A 1 ATOM 121 C C . LEU A 1 15 ? -15.338 -2.691 -16.093 1.00 75.68 15 A 1 ATOM 122 O O . LEU A 1 15 ? -14.607 -2.071 -15.321 1.00 74.49 15 A 1 ATOM 123 C CB . LEU A 1 15 ? -16.735 -1.330 -17.691 1.00 77.98 15 A 1 ATOM 124 C CG . LEU A 1 15 ? -16.782 -0.498 -18.986 1.00 73.71 15 A 1 ATOM 125 C CD1 . LEU A 1 15 ? -18.158 0.166 -19.111 1.00 64.83 15 A 1 ATOM 126 C CD2 . LEU A 1 15 ? -15.719 0.603 -19.005 1.00 69.72 15 A 1 ATOM 127 N N . GLN A 1 16 ? -16.004 -3.781 -15.703 1.00 78.23 16 A 1 ATOM 128 C CA . GLN A 1 16 ? -15.843 -4.382 -14.377 1.00 77.68 16 A 1 ATOM 129 C C . GLN A 1 16 ? -14.429 -4.943 -14.177 1.00 76.26 16 A 1 ATOM 130 O O . GLN A 1 16 ? -13.833 -4.721 -13.122 1.00 77.49 16 A 1 ATOM 131 C CB . GLN A 1 16 ? -16.886 -5.492 -14.172 1.00 79.04 16 A 1 ATOM 132 C CG . GLN A 1 16 ? -18.291 -4.920 -13.916 1.00 74.74 16 A 1 ATOM 133 C CD . GLN A 1 16 ? -19.348 -6.015 -13.765 1.00 66.82 16 A 1 ATOM 134 O OE1 . GLN A 1 16 ? -19.241 -7.128 -14.245 1.00 66.21 16 A 1 ATOM 135 N NE2 . GLN A 1 16 ? -20.432 -5.739 -13.075 1.00 61.03 16 A 1 ATOM 136 N N . ASP A 1 17 ? -13.873 -5.615 -15.183 1.00 84.56 17 A 1 ATOM 137 C CA . ASP A 1 17 ? -12.519 -6.168 -15.124 1.00 85.03 17 A 1 ATOM 138 C C . ASP A 1 17 ? -11.465 -5.047 -15.025 1.00 83.24 17 A 1 ATOM 139 O O . ASP A 1 17 ? -10.570 -5.106 -14.174 1.00 80.18 17 A 1 ATOM 140 C CB . ASP A 1 17 ? -12.271 -7.075 -16.348 1.00 85.62 17 A 1 ATOM 141 C CG . ASP A 1 17 ? -13.179 -8.318 -16.414 1.00 85.24 17 A 1 ATOM 142 O OD1 . ASP A 1 17 ? -13.722 -8.746 -15.369 1.00 78.93 17 A 1 ATOM 143 O OD2 . ASP A 1 17 ? -13.337 -8.857 -17.537 1.00 80.10 17 A 1 ATOM 144 N N . GLU A 1 18 ? -11.603 -3.974 -15.817 1.00 79.25 18 A 1 ATOM 145 C CA . GLU A 1 18 ? -10.739 -2.784 -15.751 1.00 78.28 18 A 1 ATOM 146 C C . GLU A 1 18 ? -10.827 -2.077 -14.388 1.00 79.84 18 A 1 ATOM 147 O O . GLU A 1 18 ? -9.802 -1.679 -13.820 1.00 76.20 18 A 1 ATOM 148 C CB . GLU A 1 18 ? -11.132 -1.794 -16.864 1.00 82.24 18 A 1 ATOM 149 C CG . GLU A 1 18 ? -10.680 -2.248 -18.266 1.00 81.86 18 A 1 ATOM 150 C CD . GLU A 1 18 ? -11.182 -1.323 -19.396 1.00 78.40 18 A 1 ATOM 151 O OE1 . GLU A 1 18 ? -11.087 -1.741 -20.573 1.00 73.00 18 A 1 ATOM 152 O OE2 . GLU A 1 18 ? -11.646 -0.195 -19.101 1.00 75.57 18 A 1 ATOM 153 N N . LEU A 1 19 ? -12.032 -1.947 -13.829 1.00 73.52 19 A 1 ATOM 154 C CA . LEU A 1 19 ? -12.239 -1.363 -12.501 1.00 72.95 19 A 1 ATOM 155 C C . LEU A 1 19 ? -11.573 -2.208 -11.407 1.00 71.11 19 A 1 ATOM 156 O O . LEU A 1 19 ? -10.899 -1.655 -10.532 1.00 67.64 19 A 1 ATOM 157 C CB . LEU A 1 19 ? -13.753 -1.199 -12.258 1.00 74.90 19 A 1 ATOM 158 C CG . LEU A 1 19 ? -14.112 -0.618 -10.876 1.00 74.55 19 A 1 ATOM 159 C CD1 . LEU A 1 19 ? -13.548 0.794 -10.676 1.00 68.10 19 A 1 ATOM 160 C CD2 . LEU A 1 19 ? -15.631 -0.560 -10.711 1.00 73.97 19 A 1 ATOM 161 N N . ASN A 1 20 ? -11.720 -3.525 -11.457 1.00 75.08 20 A 1 ATOM 162 C CA . ASN A 1 20 ? -11.097 -4.438 -10.499 1.00 75.06 20 A 1 ATOM 163 C C . ASN A 1 20 ? -9.565 -4.367 -10.566 1.00 71.52 20 A 1 ATOM 164 O O . ASN A 1 20 ? -8.915 -4.272 -9.521 1.00 69.37 20 A 1 ATOM 165 C CB . ASN A 1 20 ? -11.612 -5.867 -10.754 1.00 75.82 20 A 1 ATOM 166 C CG . ASN A 1 20 ? -13.024 -6.099 -10.240 1.00 72.89 20 A 1 ATOM 167 O OD1 . ASN A 1 20 ? -13.503 -5.457 -9.315 1.00 68.26 20 A 1 ATOM 168 N ND2 . ASN A 1 20 ? -13.722 -7.067 -10.791 1.00 65.53 20 A 1 ATOM 169 N N . ASP A 1 21 ? -8.974 -4.336 -11.766 1.00 80.54 21 A 1 ATOM 170 C CA . ASP A 1 21 ? -7.521 -4.173 -11.935 1.00 81.38 21 A 1 ATOM 171 C C . ASP A 1 21 ? -7.038 -2.826 -11.367 1.00 78.29 21 A 1 ATOM 172 O O . ASP A 1 21 ? -6.050 -2.769 -10.625 1.00 76.02 21 A 1 ATOM 173 C CB . ASP A 1 21 ? -7.138 -4.335 -13.420 1.00 83.22 21 A 1 ATOM 174 C CG . ASP A 1 21 ? -5.613 -4.344 -13.629 1.00 77.68 21 A 1 ATOM 175 O OD1 . ASP A 1 21 ? -4.899 -5.094 -12.927 1.00 73.39 21 A 1 ATOM 176 O OD2 . ASP A 1 21 ? -5.098 -3.583 -14.480 1.00 73.56 21 A 1 ATOM 177 N N . ALA A 1 22 ? -7.771 -1.735 -11.622 1.00 75.79 22 A 1 ATOM 178 C CA . ALA A 1 22 ? -7.451 -0.417 -11.070 1.00 75.57 22 A 1 ATOM 179 C C . ALA A 1 22 ? -7.504 -0.396 -9.529 1.00 75.56 22 A 1 ATOM 180 O O . ALA A 1 22 ? -6.594 0.146 -8.890 1.00 71.81 22 A 1 ATOM 181 C CB . ALA A 1 22 ? -8.403 0.616 -11.689 1.00 78.04 22 A 1 ATOM 182 N N . ILE A 1 23 ? -8.514 -1.015 -8.919 1.00 72.96 23 A 1 ATOM 183 C CA . ILE A 1 23 ? -8.640 -1.148 -7.458 1.00 73.83 23 A 1 ATOM 184 C C . ILE A 1 23 ? -7.470 -1.957 -6.890 1.00 72.63 23 A 1 ATOM 185 O O . ILE A 1 23 ? -6.834 -1.516 -5.928 1.00 67.49 23 A 1 ATOM 186 C CB . ILE A 1 23 ? -10.009 -1.771 -7.081 1.00 75.54 23 A 1 ATOM 187 C CG1 . ILE A 1 23 ? -11.147 -0.762 -7.358 1.00 77.24 23 A 1 ATOM 188 C CG2 . ILE A 1 23 ? -10.047 -2.204 -5.597 1.00 75.31 23 A 1 ATOM 189 C CD1 . ILE A 1 23 ? -12.551 -1.383 -7.328 1.00 74.44 23 A 1 ATOM 190 N N . CYS A 1 24 ? -7.136 -3.102 -7.490 1.00 74.56 24 A 1 ATOM 191 C CA . CYS A 1 24 ? -6.017 -3.939 -7.048 1.00 75.29 24 A 1 ATOM 192 C C . CYS A 1 24 ? -4.678 -3.189 -7.110 1.00 72.61 24 A 1 ATOM 193 O O . CYS A 1 24 ? -3.904 -3.223 -6.153 1.00 71.77 24 A 1 ATOM 194 C CB . CYS A 1 24 ? -5.967 -5.214 -7.906 1.00 74.76 24 A 1 ATOM 195 S SG . CYS A 1 24 ? -7.314 -6.334 -7.417 1.00 67.51 24 A 1 ATOM 196 N N . ARG A 1 25 ? -4.408 -2.447 -8.192 1.00 76.39 25 A 1 ATOM 197 C CA . ARG A 1 25 ? -3.192 -1.621 -8.323 1.00 76.76 25 A 1 ATOM 198 C C . ARG A 1 25 ? -3.131 -0.516 -7.272 1.00 76.40 25 A 1 ATOM 199 O O . ARG A 1 25 ? -2.074 -0.303 -6.672 1.00 76.24 25 A 1 ATOM 200 C CB . ARG A 1 25 ? -3.125 -1.004 -9.729 1.00 78.29 25 A 1 ATOM 201 C CG . ARG A 1 25 ? -2.817 -2.040 -10.814 1.00 75.16 25 A 1 ATOM 202 C CD . ARG A 1 25 ? -2.864 -1.346 -12.180 1.00 75.56 25 A 1 ATOM 203 N NE . ARG A 1 25 ? -2.862 -2.327 -13.273 1.00 65.75 25 A 1 ATOM 204 C CZ . ARG A 1 25 ? -1.957 -2.572 -14.187 1.00 60.15 25 A 1 ATOM 205 N NH1 . ARG A 1 25 ? -0.819 -1.935 -14.253 1.00 56.69 25 A 1 ATOM 206 N NH2 . ARG A 1 25 ? -2.225 -3.487 -15.072 1.00 51.55 25 A 1 ATOM 207 N N . ALA A 1 26 ? -4.246 0.173 -7.022 1.00 76.17 26 A 1 ATOM 208 C CA . ALA A 1 26 ? -4.314 1.218 -5.999 1.00 75.97 26 A 1 ATOM 209 C C . ALA A 1 26 ? -4.073 0.653 -4.585 1.00 76.03 26 A 1 ATOM 210 O O . ALA A 1 26 ? -3.279 1.219 -3.829 1.00 72.56 26 A 1 ATOM 211 C CB . ALA A 1 26 ? -5.674 1.923 -6.109 1.00 76.51 26 A 1 ATOM 212 N N . ALA A 1 27 ? -4.684 -0.481 -4.252 1.00 78.71 27 A 1 ATOM 213 C CA . ALA A 1 27 ? -4.476 -1.175 -2.982 1.00 78.43 27 A 1 ATOM 214 C C . ALA A 1 27 ? -3.015 -1.623 -2.808 1.00 78.48 27 A 1 ATOM 215 O O . ALA A 1 27 ? -2.401 -1.325 -1.784 1.00 74.45 27 A 1 ATOM 216 C CB . ALA A 1 27 ? -5.451 -2.362 -2.905 1.00 78.87 27 A 1 ATOM 217 N N . SER A 1 28 ? -2.413 -2.235 -3.833 1.00 70.92 28 A 1 ATOM 218 C CA . SER A 1 28 ? -1.004 -2.660 -3.804 1.00 73.05 28 A 1 ATOM 219 C C . SER A 1 28 ? -0.049 -1.484 -3.589 1.00 70.52 28 A 1 ATOM 220 O O . SER A 1 28 ? 0.867 -1.569 -2.774 1.00 69.44 28 A 1 ATOM 221 C CB . SER A 1 28 ? -0.633 -3.380 -5.105 1.00 73.36 28 A 1 ATOM 222 O OG . SER A 1 28 ? -1.402 -4.554 -5.255 1.00 65.79 28 A 1 ATOM 223 N N . LYS A 1 29 ? -0.285 -0.349 -4.266 1.00 74.74 29 A 1 ATOM 224 C CA . LYS A 1 29 ? 0.520 0.869 -4.090 1.00 74.70 29 A 1 ATOM 225 C C . LYS A 1 29 ? 0.419 1.423 -2.668 1.00 73.83 29 A 1 ATOM 226 O O . LYS A 1 29 ? 1.428 1.841 -2.099 1.00 70.99 29 A 1 ATOM 227 C CB . LYS A 1 29 ? 0.094 1.906 -5.138 1.00 75.97 29 A 1 ATOM 228 C CG . LYS A 1 29 ? 1.011 3.137 -5.109 1.00 71.76 29 A 1 ATOM 229 C CD . LYS A 1 29 ? 0.618 4.137 -6.197 1.00 70.29 29 A 1 ATOM 230 C CE . LYS A 1 29 ? 1.562 5.345 -6.133 1.00 64.27 29 A 1 ATOM 231 N NZ . LYS A 1 29 ? 1.223 6.357 -7.158 1.00 57.63 29 A 1 ATOM 232 N N . LYS A 1 30 ? -0.782 1.422 -2.076 1.00 70.87 30 A 1 ATOM 233 C CA . LYS A 1 30 ? -1.000 1.860 -0.692 1.00 72.01 30 A 1 ATOM 234 C C . LYS A 1 30 ? -0.248 0.968 0.302 1.00 71.01 30 A 1 ATOM 235 O O . LYS A 1 30 ? 0.509 1.492 1.115 1.00 68.84 30 A 1 ATOM 236 C CB . LYS A 1 30 ? -2.508 1.924 -0.404 1.00 72.85 30 A 1 ATOM 237 C CG . LYS A 1 30 ? -2.765 2.477 0.999 1.00 68.04 30 A 1 ATOM 238 C CD . LYS A 1 30 ? -4.262 2.577 1.313 1.00 65.82 30 A 1 ATOM 239 C CE . LYS A 1 30 ? -4.380 2.989 2.781 1.00 60.35 30 A 1 ATOM 240 N NZ . LYS A 1 30 ? -5.776 3.027 3.266 1.00 54.12 30 A 1 ATOM 241 N N . ILE A 1 31 ? -0.386 -0.352 0.185 1.00 67.35 31 A 1 ATOM 242 C CA . ILE A 1 31 ? 0.315 -1.328 1.039 1.00 67.77 31 A 1 ATOM 243 C C . ILE A 1 31 ? 1.831 -1.148 0.937 1.00 67.54 31 A 1 ATOM 244 O O . ILE A 1 31 ? 2.521 -1.131 1.952 1.00 63.68 31 A 1 ATOM 245 C CB . ILE A 1 31 ? -0.106 -2.769 0.658 1.00 68.66 31 A 1 ATOM 246 C CG1 . ILE A 1 31 ? -1.588 -3.009 1.029 1.00 69.09 31 A 1 ATOM 247 C CG2 . ILE A 1 31 ? 0.791 -3.818 1.346 1.00 63.52 31 A 1 ATOM 248 C CD1 . ILE A 1 31 ? -2.180 -4.266 0.393 1.00 61.86 31 A 1 ATOM 249 N N . HIS A 1 32 ? 2.369 -0.967 -0.279 1.00 60.04 32 A 1 ATOM 250 C CA . HIS A 1 32 ? 3.801 -0.743 -0.479 1.00 62.19 32 A 1 ATOM 251 C C . HIS A 1 32 ? 4.292 0.529 0.231 1.00 61.36 32 A 1 ATOM 252 O O . HIS A 1 32 ? 5.297 0.493 0.936 1.00 62.56 32 A 1 ATOM 253 C CB . HIS A 1 32 ? 4.100 -0.700 -1.979 1.00 63.77 32 A 1 ATOM 254 C CG . HIS A 1 32 ? 5.578 -0.660 -2.264 1.00 58.61 32 A 1 ATOM 255 N ND1 . HIS A 1 32 ? 6.473 -1.674 -2.005 1.00 52.44 32 A 1 ATOM 256 C CD2 . HIS A 1 32 ? 6.281 0.373 -2.816 1.00 48.78 32 A 1 ATOM 257 C CE1 . HIS A 1 32 ? 7.690 -1.259 -2.390 1.00 48.43 32 A 1 ATOM 258 N NE2 . HIS A 1 32 ? 7.619 -0.018 -2.898 1.00 50.42 32 A 1 ATOM 259 N N . SER A 1 33 ? 3.547 1.633 0.111 1.00 67.83 33 A 1 ATOM 260 C CA . SER A 1 33 ? 3.879 2.887 0.796 1.00 68.31 33 A 1 ATOM 261 C C . SER A 1 33 ? 3.833 2.753 2.323 1.00 68.67 33 A 1 ATOM 262 O O . SER A 1 33 ? 4.710 3.274 3.010 1.00 65.49 33 A 1 ATOM 263 C CB . SER A 1 33 ? 2.915 3.983 0.340 1.00 67.73 33 A 1 ATOM 264 O OG . SER A 1 33 ? 3.287 5.234 0.886 1.00 62.27 33 A 1 ATOM 265 N N . GLU A 1 34 ? 2.837 2.068 2.876 1.00 64.05 34 A 1 ATOM 266 C CA . GLU A 1 34 ? 2.730 1.819 4.321 1.00 65.92 34 A 1 ATOM 267 C C . GLU A 1 34 ? 3.881 0.940 4.830 1.00 66.92 34 A 1 ATOM 268 O O . GLU A 1 34 ? 4.461 1.226 5.878 1.00 64.57 34 A 1 ATOM 269 C CB . GLU A 1 34 ? 1.362 1.183 4.642 1.00 66.94 34 A 1 ATOM 270 C CG . GLU A 1 34 ? 0.214 2.204 4.535 1.00 61.65 34 A 1 ATOM 271 C CD . GLU A 1 34 ? -1.193 1.606 4.735 1.00 57.09 34 A 1 ATOM 272 O OE1 . GLU A 1 34 ? -2.167 2.398 4.717 1.00 52.60 34 A 1 ATOM 273 O OE2 . GLU A 1 34 ? -1.325 0.370 4.850 1.00 54.86 34 A 1 ATOM 274 N N . LEU A 1 35 ? 4.277 -0.072 4.058 1.00 62.44 35 A 1 ATOM 275 C CA . LEU A 1 35 ? 5.417 -0.933 4.378 1.00 62.20 35 A 1 ATOM 276 C C . LEU A 1 35 ? 6.742 -0.155 4.390 1.00 62.95 35 A 1 ATOM 277 O O . LEU A 1 35 ? 7.529 -0.320 5.319 1.00 61.76 35 A 1 ATOM 278 C CB . LEU A 1 35 ? 5.456 -2.102 3.374 1.00 62.65 35 A 1 ATOM 279 C CG . LEU A 1 35 ? 6.546 -3.148 3.679 1.00 56.67 35 A 1 ATOM 280 C CD1 . LEU A 1 35 ? 6.278 -3.887 4.990 1.00 51.06 35 A 1 ATOM 281 C CD2 . LEU A 1 35 ? 6.599 -4.175 2.548 1.00 55.65 35 A 1 ATOM 282 N N . GLU A 1 36 ? 6.986 0.729 3.409 1.00 67.78 36 A 1 ATOM 283 C CA . GLU A 1 36 ? 8.183 1.584 3.391 1.00 69.22 36 A 1 ATOM 284 C C . GLU A 1 36 ? 8.251 2.512 4.612 1.00 68.74 36 A 1 ATOM 285 O O . GLU A 1 36 ? 9.317 2.683 5.207 1.00 68.33 36 A 1 ATOM 286 C CB . GLU A 1 36 ? 8.213 2.466 2.137 1.00 70.81 36 A 1 ATOM 287 C CG . GLU A 1 36 ? 8.625 1.729 0.858 1.00 65.11 36 A 1 ATOM 288 C CD . GLU A 1 36 ? 8.887 2.715 -0.295 1.00 61.43 36 A 1 ATOM 289 O OE1 . GLU A 1 36 ? 9.592 2.316 -1.244 1.00 56.90 36 A 1 ATOM 290 O OE2 . GLU A 1 36 ? 8.451 3.895 -0.200 1.00 58.41 36 A 1 ATOM 291 N N . ILE A 1 37 ? 7.121 3.122 5.010 1.00 63.29 37 A 1 ATOM 292 C CA . ILE A 1 37 ? 7.047 3.984 6.199 1.00 63.63 37 A 1 ATOM 293 C C . ILE A 1 37 ? 7.369 3.172 7.453 1.00 63.36 37 A 1 ATOM 294 O O . ILE A 1 37 ? 8.220 3.584 8.243 1.00 60.57 37 A 1 ATOM 295 C CB . ILE A 1 37 ? 5.667 4.674 6.293 1.00 64.14 37 A 1 ATOM 296 C CG1 . ILE A 1 37 ? 5.517 5.713 5.157 1.00 64.24 37 A 1 ATOM 297 C CG2 . ILE A 1 37 ? 5.484 5.357 7.664 1.00 61.27 37 A 1 ATOM 298 C CD1 . ILE A 1 37 ? 4.075 6.183 4.951 1.00 60.08 37 A 1 ATOM 299 N N . HIS A 1 38 ? 6.750 2.009 7.618 1.00 60.61 38 A 1 ATOM 300 C CA . HIS A 1 38 ? 6.987 1.135 8.766 1.00 60.41 38 A 1 ATOM 301 C C . HIS A 1 38 ? 8.447 0.672 8.842 1.00 59.10 38 A 1 ATOM 302 O O . HIS A 1 38 ? 9.069 0.727 9.901 1.00 60.25 38 A 1 ATOM 303 C CB . HIS A 1 38 ? 6.019 -0.053 8.683 1.00 62.35 38 A 1 ATOM 304 C CG . HIS A 1 38 ? 6.097 -0.938 9.898 1.00 57.16 38 A 1 ATOM 305 N ND1 . HIS A 1 38 ? 6.949 -1.996 10.084 1.00 50.32 38 A 1 ATOM 306 C CD2 . HIS A 1 38 ? 5.346 -0.825 11.038 1.00 47.86 38 A 1 ATOM 307 C CE1 . HIS A 1 38 ? 6.726 -2.505 11.310 1.00 46.62 38 A 1 ATOM 308 N NE2 . HIS A 1 38 ? 5.749 -1.823 11.926 1.00 48.70 38 A 1 ATOM 309 N N . GLN A 1 39 ? 9.056 0.297 7.713 1.00 65.05 39 A 1 ATOM 310 C CA . GLN A 1 39 ? 10.460 -0.118 7.670 1.00 65.47 39 A 1 ATOM 311 C C . GLN A 1 39 ? 11.415 1.023 8.061 1.00 64.73 39 A 1 ATOM 312 O O . GLN A 1 39 ? 12.388 0.802 8.786 1.00 62.23 39 A 1 ATOM 313 C CB . GLN A 1 39 ? 10.764 -0.665 6.270 1.00 65.87 39 A 1 ATOM 314 C CG . GLN A 1 39 ? 12.130 -1.368 6.222 1.00 60.85 39 A 1 ATOM 315 C CD . GLN A 1 39 ? 12.384 -2.057 4.889 1.00 56.31 39 A 1 ATOM 316 O OE1 . GLN A 1 39 ? 11.722 -1.851 3.889 1.00 56.43 39 A 1 ATOM 317 N NE2 . GLN A 1 39 ? 13.381 -2.915 4.815 1.00 51.99 39 A 1 ATOM 318 N N . ARG A 1 40 ? 11.128 2.271 7.640 1.00 63.43 40 A 1 ATOM 319 C CA . ARG A 1 40 ? 11.898 3.453 8.069 1.00 64.00 40 A 1 ATOM 320 C C . ARG A 1 40 ? 11.750 3.726 9.567 1.00 63.11 40 A 1 ATOM 321 O O . ARG A 1 40 ? 12.749 4.050 10.206 1.00 60.19 40 A 1 ATOM 322 C CB . ARG A 1 40 ? 11.480 4.693 7.270 1.00 65.88 40 A 1 ATOM 323 C CG . ARG A 1 40 ? 12.000 4.653 5.831 1.00 60.83 40 A 1 ATOM 324 C CD . ARG A 1 40 ? 11.505 5.890 5.085 1.00 60.85 40 A 1 ATOM 325 N NE . ARG A 1 40 ? 11.830 5.821 3.654 1.00 52.70 40 A 1 ATOM 326 C CZ . ARG A 1 40 ? 11.647 6.781 2.765 1.00 49.04 40 A 1 ATOM 327 N NH1 . ARG A 1 40 ? 11.215 7.969 3.107 1.00 46.28 40 A 1 ATOM 328 N NH2 . ARG A 1 40 ? 11.882 6.554 1.501 1.00 43.40 40 A 1 ATOM 329 N N . GLN A 1 41 ? 10.553 3.579 10.134 1.00 64.02 41 A 1 ATOM 330 C CA . GLN A 1 41 ? 10.311 3.743 11.571 1.00 65.87 41 A 1 ATOM 331 C C . GLN A 1 41 ? 11.103 2.722 12.391 1.00 63.81 41 A 1 ATOM 332 O O . GLN A 1 41 ? 11.888 3.132 13.243 1.00 60.65 41 A 1 ATOM 333 C CB . GLN A 1 41 ? 8.810 3.640 11.874 1.00 67.44 41 A 1 ATOM 334 C CG . GLN A 1 41 ? 8.064 4.911 11.460 1.00 61.91 41 A 1 ATOM 335 C CD . GLN A 1 41 ? 6.554 4.785 11.623 1.00 57.47 41 A 1 ATOM 336 O OE1 . GLN A 1 41 ? 5.959 3.728 11.546 1.00 57.57 41 A 1 ATOM 337 N NE2 . GLN A 1 41 ? 5.859 5.880 11.835 1.00 53.47 41 A 1 ATOM 338 N N . VAL A 1 42 ? 11.012 1.433 12.058 1.00 63.73 42 A 1 ATOM 339 C CA . VAL A 1 42 ? 11.767 0.364 12.738 1.00 64.54 42 A 1 ATOM 340 C C . VAL A 1 42 ? 13.276 0.612 12.663 1.00 64.62 42 A 1 ATOM 341 O O . VAL A 1 42 ? 13.989 0.470 13.652 1.00 58.86 42 A 1 ATOM 342 C CB . VAL A 1 42 ? 11.412 -1.008 12.133 1.00 61.72 42 A 1 ATOM 343 C CG1 . VAL A 1 42 ? 12.295 -2.139 12.669 1.00 57.05 42 A 1 ATOM 344 C CG2 . VAL A 1 42 ? 9.956 -1.379 12.436 1.00 54.87 42 A 1 ATOM 345 N N . THR A 1 43 ? 13.790 1.041 11.498 1.00 62.20 43 A 1 ATOM 346 C CA . THR A 1 43 ? 15.216 1.368 11.340 1.00 63.36 43 A 1 ATOM 347 C C . THR A 1 43 ? 15.616 2.560 12.215 1.00 62.61 43 A 1 ATOM 348 O O . THR A 1 43 ? 16.664 2.534 12.853 1.00 60.16 43 A 1 ATOM 349 C CB . THR A 1 43 ? 15.564 1.665 9.875 1.00 63.20 43 A 1 ATOM 350 O OG1 . THR A 1 43 ? 15.155 0.607 9.035 1.00 58.88 43 A 1 ATOM 351 C CG2 . THR A 1 43 ? 17.067 1.833 9.661 1.00 56.68 43 A 1 ATOM 352 N N . SER A 1 44 ? 14.785 3.605 12.275 1.00 61.90 44 A 1 ATOM 353 C CA . SER A 1 44 ? 15.028 4.781 13.116 1.00 63.19 44 A 1 ATOM 354 C C . SER A 1 44 ? 15.023 4.433 14.604 1.00 62.93 44 A 1 ATOM 355 O O . SER A 1 44 ? 15.909 4.885 15.328 1.00 60.81 44 A 1 ATOM 356 C CB . SER A 1 44 ? 13.980 5.858 12.824 1.00 62.14 44 A 1 ATOM 357 O OG . SER A 1 44 ? 14.293 7.050 13.521 1.00 56.25 44 A 1 ATOM 358 N N . GLU A 1 45 ? 14.073 3.628 15.071 1.00 64.97 45 A 1 ATOM 359 C CA . GLU A 1 45 ? 13.992 3.171 16.464 1.00 68.09 45 A 1 ATOM 360 C C . GLU A 1 45 ? 15.230 2.358 16.859 1.00 67.56 45 A 1 ATOM 361 O O . GLU A 1 45 ? 15.868 2.668 17.864 1.00 64.65 45 A 1 ATOM 362 C CB . GLU A 1 45 ? 12.708 2.351 16.669 1.00 68.92 45 A 1 ATOM 363 C CG . GLU A 1 45 ? 11.462 3.253 16.685 1.00 64.73 45 A 1 ATOM 364 C CD . GLU A 1 45 ? 10.133 2.479 16.746 1.00 58.96 45 A 1 ATOM 365 O OE1 . GLU A 1 45 ? 9.085 3.164 16.782 1.00 55.84 45 A 1 ATOM 366 O OE2 . GLU A 1 45 ? 10.158 1.227 16.719 1.00 57.43 45 A 1 ATOM 367 N N . ALA A 1 46 ? 15.665 1.419 16.016 1.00 66.37 46 A 1 ATOM 368 C CA . ALA A 1 46 ? 16.877 0.634 16.257 1.00 68.89 46 A 1 ATOM 369 C C . ALA A 1 46 ? 18.145 1.508 16.348 1.00 70.10 46 A 1 ATOM 370 O O . ALA A 1 46 ? 19.017 1.272 17.187 1.00 65.71 46 A 1 ATOM 371 C CB . ALA A 1 46 ? 17.000 -0.407 15.135 1.00 68.50 46 A 1 ATOM 372 N N . VAL A 1 47 ? 18.257 2.556 15.514 1.00 64.28 47 A 1 ATOM 373 C CA . VAL A 1 47 ? 19.368 3.520 15.588 1.00 66.53 47 A 1 ATOM 374 C C . VAL A 1 47 ? 19.318 4.319 16.890 1.00 67.33 47 A 1 ATOM 375 O O . VAL A 1 47 ? 20.353 4.492 17.534 1.00 63.54 47 A 1 ATOM 376 C CB . VAL A 1 47 ? 19.385 4.446 14.355 1.00 64.34 47 A 1 ATOM 377 C CG1 . VAL A 1 47 ? 20.373 5.610 14.499 1.00 58.56 47 A 1 ATOM 378 C CG2 . VAL A 1 47 ? 19.800 3.662 13.100 1.00 56.82 47 A 1 ATOM 379 N N . VAL A 1 48 ? 18.141 4.794 17.315 1.00 59.90 48 A 1 ATOM 380 C CA . VAL A 1 48 ? 17.969 5.535 18.574 1.00 63.97 48 A 1 ATOM 381 C C . VAL A 1 48 ? 18.336 4.658 19.772 1.00 64.84 48 A 1 ATOM 382 O O . VAL A 1 48 ? 19.103 5.105 20.626 1.00 63.02 48 A 1 ATOM 383 C CB . VAL A 1 48 ? 16.540 6.094 18.700 1.00 61.83 48 A 1 ATOM 384 C CG1 . VAL A 1 48 ? 16.252 6.664 20.094 1.00 56.08 48 A 1 ATOM 385 C CG2 . VAL A 1 48 ? 16.329 7.237 17.695 1.00 53.98 48 A 1 ATOM 386 N N . GLU A 1 49 ? 17.873 3.416 19.833 1.00 62.72 49 A 1 ATOM 387 C CA . GLU A 1 49 ? 18.239 2.471 20.893 1.00 66.00 49 A 1 ATOM 388 C C . GLU A 1 49 ? 19.755 2.254 20.959 1.00 65.16 49 A 1 ATOM 389 O O . GLU A 1 49 ? 20.351 2.355 22.033 1.00 63.10 49 A 1 ATOM 390 C CB . GLU A 1 49 ? 17.540 1.122 20.680 1.00 68.06 49 A 1 ATOM 391 C CG . GLU A 1 49 ? 16.048 1.174 21.033 1.00 62.88 49 A 1 ATOM 392 C CD . GLU A 1 49 ? 15.377 -0.208 20.970 1.00 59.83 49 A 1 ATOM 393 O OE1 . GLU A 1 49 ? 14.227 -0.300 21.456 1.00 54.86 49 A 1 ATOM 394 O OE2 . GLU A 1 49 ? 16.026 -1.171 20.492 1.00 57.55 49 A 1 ATOM 395 N N . GLN A 1 50 ? 20.413 2.052 19.812 1.00 63.76 50 A 1 ATOM 396 C CA . GLN A 1 50 ? 21.865 1.876 19.758 1.00 65.32 50 A 1 ATOM 397 C C . GLN A 1 50 ? 22.624 3.116 20.258 1.00 65.42 50 A 1 ATOM 398 O O . GLN A 1 50 ? 23.614 2.993 20.983 1.00 62.95 50 A 1 ATOM 399 C CB . GLN A 1 50 ? 22.273 1.514 18.317 1.00 66.29 50 A 1 ATOM 400 C CG . GLN A 1 50 ? 23.746 1.105 18.210 1.00 61.38 50 A 1 ATOM 401 C CD . GLN A 1 50 ? 24.055 -0.162 19.013 1.00 58.21 50 A 1 ATOM 402 O OE1 . GLN A 1 50 ? 23.466 -1.205 18.805 1.00 56.63 50 A 1 ATOM 403 N NE2 . GLN A 1 50 ? 24.971 -0.128 19.955 1.00 51.64 50 A 1 ATOM 404 N N . VAL A 1 51 ? 22.164 4.333 19.913 1.00 63.47 51 A 1 ATOM 405 C CA . VAL A 1 51 ? 22.752 5.594 20.396 1.00 64.41 51 A 1 ATOM 406 C C . VAL A 1 51 ? 22.591 5.725 21.911 1.00 66.39 51 A 1 ATOM 407 O O . VAL A 1 51 ? 23.560 6.055 22.594 1.00 62.88 51 A 1 ATOM 408 C CB . VAL A 1 51 ? 22.149 6.804 19.653 1.00 63.47 51 A 1 ATOM 409 C CG1 . VAL A 1 51 ? 22.532 8.147 20.292 1.00 58.47 51 A 1 ATOM 410 C CG2 . VAL A 1 51 ? 22.657 6.844 18.200 1.00 56.00 51 A 1 ATOM 411 N N . VAL A 1 52 ? 21.413 5.417 22.470 1.00 63.80 52 A 1 ATOM 412 C CA . VAL A 1 52 ? 21.153 5.451 23.920 1.00 67.28 52 A 1 ATOM 413 C C . VAL A 1 52 ? 22.040 4.452 24.670 1.00 66.98 52 A 1 ATOM 414 O O . VAL A 1 52 ? 22.613 4.795 25.706 1.00 64.67 52 A 1 ATOM 415 C CB . VAL A 1 52 ? 19.659 5.193 24.204 1.00 65.95 52 A 1 ATOM 416 C CG1 . VAL A 1 52 ? 19.365 4.973 25.698 1.00 59.94 52 A 1 ATOM 417 C CG2 . VAL A 1 52 ? 18.814 6.392 23.748 1.00 59.45 52 A 1 ATOM 418 N N . VAL A 1 53 ? 22.206 3.238 24.154 1.00 71.45 53 A 1 ATOM 419 C CA . VAL A 1 53 ? 23.108 2.230 24.736 1.00 71.35 53 A 1 ATOM 420 C C . VAL A 1 53 ? 24.554 2.739 24.744 1.00 71.03 53 A 1 ATOM 421 O O . VAL A 1 53 ? 25.206 2.703 25.788 1.00 66.83 53 A 1 ATOM 422 C CB . VAL A 1 53 ? 22.982 0.884 23.995 1.00 70.17 53 A 1 ATOM 423 C CG1 . VAL A 1 53 ? 24.072 -0.115 24.402 1.00 65.03 53 A 1 ATOM 424 C CG2 . VAL A 1 53 ? 21.630 0.224 24.303 1.00 65.14 53 A 1 ATOM 425 N N . ASN A 1 54 ? 25.045 3.288 23.633 1.00 66.58 54 A 1 ATOM 426 C CA . ASN A 1 54 ? 26.413 3.811 23.534 1.00 67.33 54 A 1 ATOM 427 C C . ASN A 1 54 ? 26.661 5.001 24.479 1.00 64.68 54 A 1 ATOM 428 O O . ASN A 1 54 ? 27.710 5.072 25.120 1.00 64.59 54 A 1 ATOM 429 C CB . ASN A 1 54 ? 26.695 4.198 22.072 1.00 68.45 54 A 1 ATOM 430 C CG . ASN A 1 54 ? 26.836 3.003 21.142 1.00 64.94 54 A 1 ATOM 431 O OD1 . ASN A 1 54 ? 26.958 1.856 21.537 1.00 61.05 54 A 1 ATOM 432 N ND2 . ASN A 1 54 ? 26.862 3.245 19.848 1.00 58.93 54 A 1 ATOM 433 N N . LEU A 1 55 ? 25.689 5.917 24.619 1.00 66.09 55 A 1 ATOM 434 C CA . LEU A 1 55 ? 25.740 7.023 25.584 1.00 64.41 55 A 1 ATOM 435 C C . LEU A 1 55 ? 25.801 6.520 27.028 1.00 64.84 55 A 1 ATOM 436 O O . LEU A 1 55 ? 26.647 6.971 27.797 1.00 63.49 55 A 1 ATOM 437 C CB . LEU A 1 55 ? 24.513 7.940 25.370 1.00 65.79 55 A 1 ATOM 438 C CG . LEU A 1 55 ? 24.879 9.233 24.621 1.00 59.11 55 A 1 ATOM 439 C CD1 . LEU A 1 55 ? 23.792 9.633 23.631 1.00 52.97 55 A 1 ATOM 440 C CD2 . LEU A 1 55 ? 25.067 10.383 25.612 1.00 55.28 55 A 1 ATOM 441 N N . ASN A 1 56 ? 24.971 5.544 27.400 1.00 64.49 56 A 1 ATOM 442 C CA . ASN A 1 56 ? 24.976 4.958 28.740 1.00 66.61 56 A 1 ATOM 443 C C . ASN A 1 56 ? 26.296 4.247 29.075 1.00 63.63 56 A 1 ATOM 444 O O . ASN A 1 56 ? 26.750 4.316 30.215 1.00 63.22 56 A 1 ATOM 445 C CB . ASN A 1 56 ? 23.794 3.984 28.866 1.00 68.06 56 A 1 ATOM 446 C CG . ASN A 1 56 ? 22.495 4.682 29.217 1.00 63.83 56 A 1 ATOM 447 O OD1 . ASN A 1 56 ? 22.459 5.672 29.925 1.00 59.74 56 A 1 ATOM 448 N ND2 . ASN A 1 56 ? 21.373 4.143 28.799 1.00 56.62 56 A 1 ATOM 449 N N . ILE A 1 57 ? 26.920 3.581 28.113 1.00 68.09 57 A 1 ATOM 450 C CA . ILE A 1 57 ? 28.247 2.971 28.289 1.00 67.98 57 A 1 ATOM 451 C C . ILE A 1 57 ? 29.303 4.061 28.499 1.00 65.97 57 A 1 ATOM 452 O O . ILE A 1 57 ? 30.098 3.968 29.432 1.00 62.85 57 A 1 ATOM 453 C CB . ILE A 1 57 ? 28.587 2.050 27.095 1.00 68.02 57 A 1 ATOM 454 C CG1 . ILE A 1 57 ? 27.653 0.815 27.101 1.00 67.00 57 A 1 ATOM 455 C CG2 . ILE A 1 57 ? 30.058 1.592 27.143 1.00 64.31 57 A 1 ATOM 456 C CD1 . ILE A 1 57 ? 27.680 0.015 25.793 1.00 61.14 57 A 1 ATOM 457 N N . SER A 1 58 ? 29.274 5.127 27.683 1.00 61.96 58 A 1 ATOM 458 C CA . SER A 1 58 ? 30.228 6.241 27.785 1.00 65.14 58 A 1 ATOM 459 C C . SER A 1 58 ? 30.119 6.984 29.120 1.00 62.97 58 A 1 ATOM 460 O O . SER A 1 58 ? 31.136 7.328 29.709 1.00 62.24 58 A 1 ATOM 461 C CB . SER A 1 58 ? 30.026 7.229 26.634 1.00 65.67 58 A 1 ATOM 462 O OG . SER A 1 58 ? 30.177 6.578 25.383 1.00 58.85 58 A 1 ATOM 463 N N . LEU A 1 59 ? 28.900 7.195 29.640 1.00 64.96 59 A 1 ATOM 464 C CA . LEU A 1 59 ? 28.656 7.848 30.935 1.00 65.38 59 A 1 ATOM 465 C C . LEU A 1 59 ? 29.065 6.989 32.143 1.00 64.04 59 A 1 ATOM 466 O O . LEU A 1 59 ? 29.408 7.538 33.181 1.00 63.09 59 A 1 ATOM 467 C CB . LEU A 1 59 ? 27.165 8.221 31.036 1.00 67.51 59 A 1 ATOM 468 C CG . LEU A 1 59 ? 26.742 9.393 30.132 1.00 62.62 59 A 1 ATOM 469 C CD1 . LEU A 1 59 ? 25.216 9.498 30.124 1.00 57.52 59 A 1 ATOM 470 C CD2 . LEU A 1 59 ? 27.308 10.729 30.623 1.00 58.53 59 A 1 ATOM 471 N N . LYS A 1 60 ? 29.050 5.663 32.031 1.00 69.11 60 A 1 ATOM 472 C CA . LYS A 1 60 ? 29.519 4.751 33.093 1.00 71.51 60 A 1 ATOM 473 C C . LYS A 1 60 ? 31.045 4.597 33.135 1.00 67.61 60 A 1 ATOM 474 O O . LYS A 1 60 ? 31.554 4.019 34.091 1.00 64.95 60 A 1 ATOM 475 C CB . LYS A 1 60 ? 28.856 3.376 32.930 1.00 72.62 60 A 1 ATOM 476 C CG . LYS A 1 60 ? 27.393 3.383 33.388 1.00 69.36 60 A 1 ATOM 477 C CD . LYS A 1 60 ? 26.798 1.981 33.211 1.00 64.28 60 A 1 ATOM 478 C CE . LYS A 1 60 ? 25.346 1.972 33.687 1.00 59.65 60 A 1 ATOM 479 N NZ . LYS A 1 60 ? 24.750 0.617 33.571 1.00 53.81 60 A 1 ATOM 480 N N . GLY A 1 61 ? 31.750 5.063 32.105 1.00 62.85 61 A 1 ATOM 481 C CA . GLY A 1 61 ? 33.210 5.034 32.001 1.00 66.32 61 A 1 ATOM 482 C C . GLY A 1 61 ? 33.919 6.276 32.569 1.00 64.71 61 A 1 ATOM 483 O O . GLY A 1 61 ? 35.144 6.320 32.509 1.00 60.92 61 A 1 ATOM 484 N N . PHE A 1 62 ? 33.164 7.253 33.093 1.00 69.34 62 A 1 ATOM 485 C CA . PHE A 1 62 ? 33.659 8.417 33.845 1.00 68.55 62 A 1 ATOM 486 C C . PHE A 1 62 ? 33.419 8.234 35.356 1.00 62.05 62 A 1 ATOM 487 O O . PHE A 1 62 ? 34.270 8.714 36.126 1.00 57.68 62 A 1 ATOM 488 C CB . PHE A 1 62 ? 32.959 9.694 33.352 1.00 64.48 62 A 1 ATOM 489 C CG . PHE A 1 62 ? 33.552 10.291 32.089 1.00 59.67 62 A 1 ATOM 490 C CD1 . PHE A 1 62 ? 34.663 11.142 32.183 1.00 56.72 62 A 1 ATOM 491 C CD2 . PHE A 1 62 ? 32.991 10.010 30.834 1.00 55.52 62 A 1 ATOM 492 C CE1 . PHE A 1 62 ? 35.215 11.721 31.032 1.00 53.80 62 A 1 ATOM 493 C CE2 . PHE A 1 62 ? 33.547 10.585 29.675 1.00 59.31 62 A 1 ATOM 494 C CZ . PHE A 1 62 ? 34.654 11.440 29.777 1.00 53.30 62 A 1 ATOM 495 O OXT . PHE A 1 62 ? 32.399 7.636 35.699 1.00 54.66 62 A 1 #