# 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_tlaloc # _entry.id tlaloc # 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 VAL 1 1 n GLU 2 1 n VAL 3 1 n PHE 4 1 n LEU 5 1 n TYR 6 1 n LEU 7 1 n VAL 8 1 n HIS 9 1 n VAL 10 1 n HIS 11 1 n GLN 12 1 n LEU 13 1 n THR 14 1 n TYR 15 1 n CYS 16 1 n LEU 17 1 n LEU 18 1 n MET 19 1 n ILE 20 1 n TYR 21 1 n ILE 22 1 n ASN 23 1 n CYS 24 1 n PHE 25 1 n GLN 26 1 n MET 27 1 n TYR 28 1 n LEU 29 1 n TYR 30 1 n PHE 31 1 n LEU 32 1 n ARG 33 1 n ARG 34 1 n ARG 35 1 n GLY 36 1 n ALA 37 1 n ILE 38 1 n ILE 39 1 n LEU 40 1 n SER 41 1 n LEU 42 1 n LEU 43 1 n THR 44 1 n GLY 45 1 n ILE 46 1 n ASP 47 1 n PRO 48 1 n ARG 49 1 n LEU 50 1 n GLN 51 1 n GLN 52 1 n PHE 53 1 n CYS 54 1 n THR 55 1 n LYS 56 1 n SER 57 1 n ILE 58 1 n PHE 59 # _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 01:40:33)" _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 72.41 _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 VAL 1 2 84.07 1 1 A GLU 2 2 79.19 1 2 A VAL 3 2 85.68 1 3 A PHE 4 2 75.62 1 4 A LEU 5 2 82.78 1 5 A TYR 6 2 79.90 1 6 A LEU 7 2 80.80 1 7 A VAL 8 2 83.42 1 8 A HIS 9 2 73.81 1 9 A VAL 10 2 85.16 1 10 A HIS 11 2 79.59 1 11 A GLN 12 2 77.96 1 12 A LEU 13 2 81.12 1 13 A THR 14 2 84.70 1 14 A TYR 15 2 81.52 1 15 A CYS 16 2 80.20 1 16 A LEU 17 2 81.23 1 17 A LEU 18 2 81.71 1 18 A MET 19 2 77.22 1 19 A ILE 20 2 85.00 1 20 A TYR 21 2 75.79 1 21 A ILE 22 2 86.37 1 22 A ASN 23 2 79.82 1 23 A CYS 24 2 77.11 1 24 A PHE 25 2 80.85 1 25 A GLN 26 2 82.83 1 26 A MET 27 2 75.64 1 27 A TYR 28 2 79.60 1 28 A LEU 29 2 83.42 1 29 A TYR 30 2 84.09 1 30 A PHE 31 2 74.78 1 31 A LEU 32 2 82.01 1 32 A ARG 33 2 73.72 1 33 A ARG 34 2 71.45 1 34 A ARG 35 2 72.82 1 35 A GLY 36 2 76.67 1 36 A ALA 37 2 73.79 1 37 A ILE 38 2 70.79 1 38 A ILE 39 2 71.70 1 39 A LEU 40 2 70.66 1 40 A SER 41 2 70.07 1 41 A LEU 42 2 73.36 1 42 A LEU 43 2 71.12 1 43 A THR 44 2 68.06 1 44 A GLY 45 2 66.73 1 45 A ILE 46 2 54.27 1 46 A ASP 47 2 55.27 1 47 A PRO 48 2 62.15 1 48 A ARG 49 2 60.03 1 49 A LEU 50 2 56.73 1 50 A GLN 51 2 53.00 1 51 A GLN 52 2 55.73 1 52 A PHE 53 2 52.11 1 53 A CYS 54 2 53.11 1 54 A THR 55 2 51.53 1 55 A LYS 56 2 57.96 1 56 A SER 57 2 51.65 1 57 A ILE 58 2 49.05 1 58 A PHE 59 2 44.04 1 59 # _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 VAL . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n HIS . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n CYS . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n GLN . 26 A 26 A 27 1 n MET . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n PHE . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n THR . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n PRO . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n GLN . 51 A 51 A 52 1 n GLN . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n CYS . 54 A 54 A 55 1 n THR . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n PHE . 59 A 59 # _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 . VAL A 1 1 ? -37.035 -0.272 -24.980 1.00 83.39 1 A 1 ATOM 2 C CA . VAL A 1 1 ? -36.890 0.408 -23.667 1.00 88.67 1 A 1 ATOM 3 C C . VAL A 1 1 ? -36.205 -0.493 -22.644 1.00 87.39 1 A 1 ATOM 4 O O . VAL A 1 1 ? -35.173 -0.091 -22.121 1.00 87.53 1 A 1 ATOM 5 C CB . VAL A 1 1 ? -38.221 0.996 -23.160 1.00 87.37 1 A 1 ATOM 6 C CG1 . VAL A 1 1 ? -38.016 1.773 -21.853 1.00 78.76 1 A 1 ATOM 7 C CG2 . VAL A 1 1 ? -38.795 1.977 -24.199 1.00 75.37 1 A 1 ATOM 8 N N . GLU A 1 2 ? -36.674 -1.722 -22.442 1.00 80.88 2 A 1 ATOM 9 C CA . GLU A 1 2 ? -36.076 -2.669 -21.478 1.00 86.07 2 A 1 ATOM 10 C C . GLU A 1 2 ? -34.601 -3.004 -21.759 1.00 84.99 2 A 1 ATOM 11 O O . GLU A 1 2 ? -33.774 -2.964 -20.849 1.00 83.38 2 A 1 ATOM 12 C CB . GLU A 1 2 ? -36.893 -3.968 -21.460 1.00 86.57 2 A 1 ATOM 13 C CG . GLU A 1 2 ? -38.302 -3.732 -20.905 1.00 78.89 2 A 1 ATOM 14 C CD . GLU A 1 2 ? -39.099 -5.037 -20.788 1.00 73.30 2 A 1 ATOM 15 O OE1 . GLU A 1 2 ? -39.996 -5.075 -19.921 1.00 66.48 2 A 1 ATOM 16 O OE2 . GLU A 1 2 ? -38.817 -5.957 -21.590 1.00 72.15 2 A 1 ATOM 17 N N . VAL A 1 3 ? -34.228 -3.228 -23.020 1.00 86.09 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -32.829 -3.500 -23.419 1.00 87.42 3 A 1 ATOM 19 C C . VAL A 1 3 ? -31.911 -2.315 -23.101 1.00 86.84 3 A 1 ATOM 20 O O . VAL A 1 3 ? -30.782 -2.507 -22.659 1.00 84.81 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -32.754 -3.856 -24.919 1.00 87.34 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -31.321 -4.157 -25.378 1.00 84.38 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -33.615 -5.083 -25.252 1.00 82.88 3 A 1 ATOM 24 N N . PHE A 1 4 ? -32.394 -1.091 -23.271 1.00 80.40 4 A 1 ATOM 25 C CA . PHE A 1 4 ? -31.627 0.119 -22.974 1.00 78.87 4 A 1 ATOM 26 C C . PHE A 1 4 ? -31.424 0.303 -21.459 1.00 76.67 4 A 1 ATOM 27 O O . PHE A 1 4 ? -30.316 0.596 -21.018 1.00 79.18 4 A 1 ATOM 28 C CB . PHE A 1 4 ? -32.335 1.325 -23.610 1.00 81.24 4 A 1 ATOM 29 C CG . PHE A 1 4 ? -31.456 2.557 -23.694 1.00 78.90 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? -31.488 3.533 -22.681 1.00 70.28 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? -30.595 2.721 -24.795 1.00 72.44 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? -30.663 4.672 -22.771 1.00 71.54 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? -29.770 3.856 -24.890 1.00 69.90 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? -29.806 4.834 -23.876 1.00 72.41 4 A 1 ATOM 35 N N . LEU A 1 5 ? -32.470 0.064 -20.665 1.00 85.69 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -32.388 0.068 -19.197 1.00 84.93 5 A 1 ATOM 37 C C . LEU A 1 5 ? -31.399 -0.986 -18.684 1.00 83.42 5 A 1 ATOM 38 O O . LEU A 1 5 ? -30.578 -0.680 -17.824 1.00 85.41 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -33.801 -0.164 -18.619 1.00 88.26 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -34.548 1.158 -18.366 1.00 82.68 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -36.053 0.977 -18.509 1.00 74.45 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -34.251 1.665 -16.948 1.00 77.36 5 A 1 ATOM 43 N N . TYR A 1 6 ? -31.425 -2.190 -19.252 1.00 83.79 6 A 1 ATOM 44 C CA . TYR A 1 6 ? -30.481 -3.254 -18.913 1.00 83.62 6 A 1 ATOM 45 C C . TYR A 1 6 ? -29.032 -2.849 -19.218 1.00 82.38 6 A 1 ATOM 46 O O . TYR A 1 6 ? -28.159 -2.997 -18.366 1.00 83.74 6 A 1 ATOM 47 C CB . TYR A 1 6 ? -30.883 -4.530 -19.665 1.00 86.07 6 A 1 ATOM 48 C CG . TYR A 1 6 ? -30.058 -5.736 -19.255 1.00 82.76 6 A 1 ATOM 49 C CD1 . TYR A 1 6 ? -28.965 -6.154 -20.043 1.00 75.87 6 A 1 ATOM 50 C CD2 . TYR A 1 6 ? -30.376 -6.430 -18.074 1.00 77.53 6 A 1 ATOM 51 C CE1 . TYR A 1 6 ? -28.193 -7.264 -19.648 1.00 76.61 6 A 1 ATOM 52 C CE2 . TYR A 1 6 ? -29.606 -7.542 -17.673 1.00 76.80 6 A 1 ATOM 53 C CZ . TYR A 1 6 ? -28.515 -7.958 -18.463 1.00 77.24 6 A 1 ATOM 54 O OH . TYR A 1 6 ? -27.769 -9.029 -18.078 1.00 72.40 6 A 1 ATOM 55 N N . LEU A 1 7 ? -28.778 -2.259 -20.391 1.00 84.33 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -27.441 -1.795 -20.785 1.00 83.18 7 A 1 ATOM 57 C C . LEU A 1 7 ? -26.903 -0.712 -19.839 1.00 81.60 7 A 1 ATOM 58 O O . LEU A 1 7 ? -25.749 -0.776 -19.423 1.00 84.43 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -27.486 -1.284 -22.241 1.00 86.96 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -26.429 -1.966 -23.140 1.00 80.24 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -27.100 -2.696 -24.305 1.00 71.05 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -25.449 -0.944 -23.716 1.00 74.60 7 A 1 ATOM 63 N N . VAL A 1 8 ? -27.739 0.255 -19.457 1.00 85.99 8 A 1 ATOM 64 C CA . VAL A 1 8 ? -27.374 1.304 -18.486 1.00 84.71 8 A 1 ATOM 65 C C . VAL A 1 8 ? -27.048 0.692 -17.123 1.00 83.64 8 A 1 ATOM 66 O O . VAL A 1 8 ? -26.051 1.062 -16.505 1.00 83.38 8 A 1 ATOM 67 C CB . VAL A 1 8 ? -28.497 2.358 -18.379 1.00 85.05 8 A 1 ATOM 68 C CG1 . VAL A 1 8 ? -28.261 3.361 -17.242 1.00 81.68 8 A 1 ATOM 69 C CG2 . VAL A 1 8 ? -28.593 3.173 -19.680 1.00 79.52 8 A 1 ATOM 70 N N . HIS A 1 9 ? -27.833 -0.287 -16.672 1.00 77.67 9 A 1 ATOM 71 C CA . HIS A 1 9 ? -27.615 -0.945 -15.384 1.00 78.56 9 A 1 ATOM 72 C C . HIS A 1 9 ? -26.310 -1.754 -15.360 1.00 76.35 9 A 1 ATOM 73 O O . HIS A 1 9 ? -25.541 -1.660 -14.401 1.00 81.94 9 A 1 ATOM 74 C CB . HIS A 1 9 ? -28.834 -1.818 -15.036 1.00 80.84 9 A 1 ATOM 75 C CG . HIS A 1 9 ? -29.258 -1.687 -13.597 1.00 76.58 9 A 1 ATOM 76 N ND1 . HIS A 1 9 ? -28.514 -1.157 -12.563 1.00 61.94 9 A 1 ATOM 77 C CD2 . HIS A 1 9 ? -30.485 -2.022 -13.077 1.00 65.14 9 A 1 ATOM 78 C CE1 . HIS A 1 9 ? -29.271 -1.180 -11.452 1.00 69.44 9 A 1 ATOM 79 N NE2 . HIS A 1 9 ? -30.475 -1.694 -11.722 1.00 69.64 9 A 1 ATOM 80 N N . VAL A 1 10 ? -26.010 -2.491 -16.429 1.00 87.09 10 A 1 ATOM 81 C CA . VAL A 1 10 ? -24.740 -3.225 -16.584 1.00 87.14 10 A 1 ATOM 82 C C . VAL A 1 10 ? -23.556 -2.259 -16.597 1.00 86.41 10 A 1 ATOM 83 O O . VAL A 1 10 ? -22.556 -2.499 -15.920 1.00 85.26 10 A 1 ATOM 84 C CB . VAL A 1 10 ? -24.767 -4.098 -17.857 1.00 86.58 10 A 1 ATOM 85 C CG1 . VAL A 1 10 ? -23.401 -4.724 -18.173 1.00 82.90 10 A 1 ATOM 86 C CG2 . VAL A 1 10 ? -25.761 -5.260 -17.696 1.00 80.75 10 A 1 ATOM 87 N N . HIS A 1 11 ? -23.678 -1.134 -17.298 1.00 85.09 11 A 1 ATOM 88 C CA . HIS A 1 11 ? -22.608 -0.136 -17.361 1.00 84.27 11 A 1 ATOM 89 C C . HIS A 1 11 ? -22.342 0.519 -15.994 1.00 82.62 11 A 1 ATOM 90 O O . HIS A 1 11 ? -21.184 0.687 -15.602 1.00 85.61 11 A 1 ATOM 91 C CB . HIS A 1 11 ? -22.947 0.898 -18.446 1.00 87.04 11 A 1 ATOM 92 C CG . HIS A 1 11 ? -21.720 1.572 -18.999 1.00 84.94 11 A 1 ATOM 93 N ND1 . HIS A 1 11 ? -20.876 2.428 -18.336 1.00 68.84 11 A 1 ATOM 94 C CD2 . HIS A 1 11 ? -21.209 1.405 -20.265 1.00 70.91 11 A 1 ATOM 95 C CE1 . HIS A 1 11 ? -19.877 2.767 -19.172 1.00 73.00 11 A 1 ATOM 96 N NE2 . HIS A 1 11 ? -20.045 2.167 -20.359 1.00 73.60 11 A 1 ATOM 97 N N . GLN A 1 12 ? -23.390 0.843 -15.233 1.00 84.15 12 A 1 ATOM 98 C CA . GLN A 1 12 ? -23.254 1.353 -13.861 1.00 84.05 12 A 1 ATOM 99 C C . GLN A 1 12 ? -22.603 0.324 -12.929 1.00 83.20 12 A 1 ATOM 100 O O . GLN A 1 12 ? -21.696 0.674 -12.175 1.00 83.05 12 A 1 ATOM 101 C CB . GLN A 1 12 ? -24.629 1.757 -13.306 1.00 85.63 12 A 1 ATOM 102 C CG . GLN A 1 12 ? -25.056 3.151 -13.792 1.00 78.50 12 A 1 ATOM 103 C CD . GLN A 1 12 ? -26.401 3.572 -13.215 1.00 72.31 12 A 1 ATOM 104 O OE1 . GLN A 1 12 ? -27.280 2.770 -12.946 1.00 66.94 12 A 1 ATOM 105 N NE2 . GLN A 1 12 ? -26.630 4.847 -12.995 1.00 63.77 12 A 1 ATOM 106 N N . LEU A 1 13 ? -23.013 -0.943 -13.017 1.00 82.45 13 A 1 ATOM 107 C CA . LEU A 1 13 ? -22.435 -2.015 -12.207 1.00 82.94 13 A 1 ATOM 108 C C . LEU A 1 13 ? -20.939 -2.204 -12.505 1.00 82.21 13 A 1 ATOM 109 O O . LEU A 1 13 ? -20.129 -2.299 -11.586 1.00 83.68 13 A 1 ATOM 110 C CB . LEU A 1 13 ? -23.216 -3.318 -12.470 1.00 87.09 13 A 1 ATOM 111 C CG . LEU A 1 13 ? -23.116 -4.297 -11.288 1.00 81.00 13 A 1 ATOM 112 C CD1 . LEU A 1 13 ? -24.386 -4.228 -10.436 1.00 72.07 13 A 1 ATOM 113 C CD2 . LEU A 1 13 ? -22.930 -5.730 -11.770 1.00 77.51 13 A 1 ATOM 114 N N . THR A 1 14 ? -20.563 -2.181 -13.790 1.00 83.24 14 A 1 ATOM 115 C CA . THR A 1 14 ? -19.161 -2.275 -14.226 1.00 84.39 14 A 1 ATOM 116 C C . THR A 1 14 ? -18.331 -1.107 -13.701 1.00 83.69 14 A 1 ATOM 117 O O . THR A 1 14 ? -17.220 -1.309 -13.216 1.00 84.79 14 A 1 ATOM 118 C CB . THR A 1 14 ? -19.072 -2.332 -15.757 1.00 87.33 14 A 1 ATOM 119 O OG1 . THR A 1 14 ? -19.883 -3.367 -16.262 1.00 86.91 14 A 1 ATOM 120 C CG2 . THR A 1 14 ? -17.655 -2.629 -16.246 1.00 82.53 14 A 1 ATOM 121 N N . TYR A 1 15 ? -18.882 0.113 -13.729 1.00 85.32 15 A 1 ATOM 122 C CA . TYR A 1 15 ? -18.203 1.297 -13.202 1.00 84.87 15 A 1 ATOM 123 C C . TYR A 1 15 ? -17.996 1.220 -11.680 1.00 82.07 15 A 1 ATOM 124 O O . TYR A 1 15 ? -16.901 1.506 -11.186 1.00 82.81 15 A 1 ATOM 125 C CB . TYR A 1 15 ? -18.992 2.548 -13.600 1.00 86.46 15 A 1 ATOM 126 C CG . TYR A 1 15 ? -18.189 3.820 -13.436 1.00 84.27 15 A 1 ATOM 127 C CD1 . TYR A 1 15 ? -18.289 4.581 -12.254 1.00 77.83 15 A 1 ATOM 128 C CD2 . TYR A 1 15 ? -17.329 4.233 -14.470 1.00 79.59 15 A 1 ATOM 129 C CE1 . TYR A 1 15 ? -17.526 5.756 -12.112 1.00 77.40 15 A 1 ATOM 130 C CE2 . TYR A 1 15 ? -16.565 5.409 -14.332 1.00 79.13 15 A 1 ATOM 131 C CZ . TYR A 1 15 ? -16.667 6.172 -13.149 1.00 80.64 15 A 1 ATOM 132 O OH . TYR A 1 15 ? -15.932 7.313 -13.016 1.00 77.79 15 A 1 ATOM 133 N N . CYS A 1 16 ? -19.000 0.763 -10.933 1.00 82.82 16 A 1 ATOM 134 C CA . CYS A 1 16 ? -18.879 0.538 -9.489 1.00 81.14 16 A 1 ATOM 135 C C . CYS A 1 16 ? -17.814 -0.518 -9.158 1.00 82.16 16 A 1 ATOM 136 O O . CYS A 1 16 ? -16.981 -0.290 -8.284 1.00 83.69 16 A 1 ATOM 137 C CB . CYS A 1 16 ? -20.243 0.124 -8.916 1.00 81.06 16 A 1 ATOM 138 S SG . CYS A 1 16 ? -21.342 1.567 -8.834 1.00 70.36 16 A 1 ATOM 139 N N . LEU A 1 17 ? -17.798 -1.639 -9.874 1.00 81.81 17 A 1 ATOM 140 C CA . LEU A 1 17 ? -16.788 -2.687 -9.690 1.00 83.63 17 A 1 ATOM 141 C C . LEU A 1 17 ? -15.376 -2.179 -9.997 1.00 85.34 17 A 1 ATOM 142 O O . LEU A 1 17 ? -14.449 -2.464 -9.239 1.00 88.22 17 A 1 ATOM 143 C CB . LEU A 1 17 ? -17.137 -3.892 -10.582 1.00 86.12 17 A 1 ATOM 144 C CG . LEU A 1 17 ? -18.325 -4.726 -10.071 1.00 78.99 17 A 1 ATOM 145 C CD1 . LEU A 1 17 ? -18.725 -5.745 -11.138 1.00 71.33 17 A 1 ATOM 146 C CD2 . LEU A 1 17 ? -17.973 -5.494 -8.790 1.00 74.44 17 A 1 ATOM 147 N N . LEU A 1 18 ? -15.216 -1.380 -11.057 1.00 81.78 18 A 1 ATOM 148 C CA . LEU A 1 18 ? -13.936 -0.764 -11.403 1.00 82.46 18 A 1 ATOM 149 C C . LEU A 1 18 ? -13.446 0.186 -10.303 1.00 81.60 18 A 1 ATOM 150 O O . LEU A 1 18 ? -12.280 0.128 -9.913 1.00 84.70 18 A 1 ATOM 151 C CB . LEU A 1 18 ? -14.091 -0.042 -12.755 1.00 86.71 18 A 1 ATOM 152 C CG . LEU A 1 18 ? -12.770 0.519 -13.309 1.00 83.41 18 A 1 ATOM 153 C CD1 . LEU A 1 18 ? -11.809 -0.596 -13.732 1.00 73.86 18 A 1 ATOM 154 C CD2 . LEU A 1 18 ? -13.054 1.400 -14.525 1.00 79.19 18 A 1 ATOM 155 N N . MET A 1 19 ? -14.332 1.018 -9.754 1.00 81.38 19 A 1 ATOM 156 C CA . MET A 1 19 ? -13.992 1.926 -8.652 1.00 82.47 19 A 1 ATOM 157 C C . MET A 1 19 ? -13.580 1.174 -7.381 1.00 80.74 19 A 1 ATOM 158 O O . MET A 1 19 ? -12.607 1.552 -6.727 1.00 83.30 19 A 1 ATOM 159 C CB . MET A 1 19 ? -15.181 2.855 -8.356 1.00 82.53 19 A 1 ATOM 160 C CG . MET A 1 19 ? -15.298 4.004 -9.358 1.00 77.73 19 A 1 ATOM 161 S SD . MET A 1 19 ? -13.854 5.108 -9.356 1.00 68.91 19 A 1 ATOM 162 C CE . MET A 1 19 ? -14.623 6.633 -9.981 1.00 60.72 19 A 1 ATOM 163 N N . ILE A 1 20 ? -14.280 0.090 -7.044 1.00 82.35 20 A 1 ATOM 164 C CA . ILE A 1 20 ? -13.909 -0.775 -5.915 1.00 82.96 20 A 1 ATOM 165 C C . ILE A 1 20 ? -12.533 -1.395 -6.164 1.00 83.22 20 A 1 ATOM 166 O O . ILE A 1 20 ? -11.674 -1.346 -5.281 1.00 83.45 20 A 1 ATOM 167 C CB . ILE A 1 20 ? -15.000 -1.845 -5.669 1.00 86.00 20 A 1 ATOM 168 C CG1 . ILE A 1 20 ? -16.296 -1.177 -5.147 1.00 89.81 20 A 1 ATOM 169 C CG2 . ILE A 1 20 ? -14.520 -2.908 -4.655 1.00 87.91 20 A 1 ATOM 170 C CD1 . ILE A 1 20 ? -17.529 -2.085 -5.215 1.00 84.31 20 A 1 ATOM 171 N N . TYR A 1 21 ? -12.293 -1.916 -7.361 1.00 79.50 21 A 1 ATOM 172 C CA . TYR A 1 21 ? -11.011 -2.513 -7.729 1.00 79.59 21 A 1 ATOM 173 C C . TYR A 1 21 ? -9.848 -1.519 -7.601 1.00 77.76 21 A 1 ATOM 174 O O . TYR A 1 21 ? -8.830 -1.841 -6.983 1.00 83.63 21 A 1 ATOM 175 C CB . TYR A 1 21 ? -11.105 -3.073 -9.154 1.00 84.33 21 A 1 ATOM 176 C CG . TYR A 1 21 ? -9.819 -3.726 -9.612 1.00 79.42 21 A 1 ATOM 177 C CD1 . TYR A 1 21 ? -8.901 -3.008 -10.410 1.00 73.28 21 A 1 ATOM 178 C CD2 . TYR A 1 21 ? -9.520 -5.041 -9.207 1.00 71.68 21 A 1 ATOM 179 C CE1 . TYR A 1 21 ? -7.691 -3.609 -10.806 1.00 68.74 21 A 1 ATOM 180 C CE2 . TYR A 1 21 ? -8.308 -5.645 -9.599 1.00 71.35 21 A 1 ATOM 181 C CZ . TYR A 1 21 ? -7.394 -4.927 -10.400 1.00 72.04 21 A 1 ATOM 182 O OH . TYR A 1 21 ? -6.224 -5.509 -10.778 1.00 68.13 21 A 1 ATOM 183 N N . ILE A 1 22 ? -10.005 -0.293 -8.114 1.00 87.22 22 A 1 ATOM 184 C CA . ILE A 1 22 ? -8.984 0.763 -8.016 1.00 84.47 22 A 1 ATOM 185 C C . ILE A 1 22 ? -8.692 1.102 -6.549 1.00 82.47 22 A 1 ATOM 186 O O . ILE A 1 22 ? -7.525 1.169 -6.159 1.00 81.45 22 A 1 ATOM 187 C CB . ILE A 1 22 ? -9.419 2.007 -8.827 1.00 88.50 22 A 1 ATOM 188 C CG1 . ILE A 1 22 ? -9.383 1.694 -10.342 1.00 91.73 22 A 1 ATOM 189 C CG2 . ILE A 1 22 ? -8.513 3.220 -8.528 1.00 89.89 22 A 1 ATOM 190 C CD1 . ILE A 1 22 ? -10.115 2.726 -11.206 1.00 85.26 22 A 1 ATOM 191 N N . ASN A 1 23 ? -9.726 1.267 -5.717 1.00 86.99 23 A 1 ATOM 192 C CA . ASN A 1 23 ? -9.547 1.563 -4.293 1.00 83.66 23 A 1 ATOM 193 C C . ASN A 1 23 ? -8.842 0.420 -3.541 1.00 82.84 23 A 1 ATOM 194 O O . ASN A 1 23 ? -7.919 0.661 -2.762 1.00 85.27 23 A 1 ATOM 195 C CB . ASN A 1 23 ? -10.915 1.870 -3.662 1.00 84.41 23 A 1 ATOM 196 C CG . ASN A 1 23 ? -11.362 3.293 -3.937 1.00 76.99 23 A 1 ATOM 197 O OD1 . ASN A 1 23 ? -10.653 4.248 -3.687 1.00 70.19 23 A 1 ATOM 198 N ND2 . ASN A 1 23 ? -12.560 3.490 -4.431 1.00 68.21 23 A 1 ATOM 199 N N . CYS A 1 24 ? -9.230 -0.829 -3.798 1.00 77.94 24 A 1 ATOM 200 C CA . CYS A 1 24 ? -8.568 -2.001 -3.222 1.00 77.74 24 A 1 ATOM 201 C C . CYS A 1 24 ? -7.100 -2.098 -3.657 1.00 75.07 24 A 1 ATOM 202 O O . CYS A 1 24 ? -6.230 -2.375 -2.834 1.00 77.82 24 A 1 ATOM 203 C CB . CYS A 1 24 ? -9.337 -3.270 -3.627 1.00 79.83 24 A 1 ATOM 204 S SG . CYS A 1 24 ? -10.904 -3.362 -2.716 1.00 74.23 24 A 1 ATOM 205 N N . PHE A 1 25 ? -6.813 -1.815 -4.924 1.00 83.47 25 A 1 ATOM 206 C CA . PHE A 1 25 ? -5.452 -1.821 -5.456 1.00 81.66 25 A 1 ATOM 207 C C . PHE A 1 25 ? -4.588 -0.713 -4.835 1.00 80.32 25 A 1 ATOM 208 O O . PHE A 1 25 ? -3.448 -0.967 -4.441 1.00 80.19 25 A 1 ATOM 209 C CB . PHE A 1 25 ? -5.517 -1.705 -6.981 1.00 82.78 25 A 1 ATOM 210 C CG . PHE A 1 25 ? -4.163 -1.875 -7.641 1.00 86.70 25 A 1 ATOM 211 C CD1 . PHE A 1 25 ? -3.491 -0.768 -8.197 1.00 79.56 25 A 1 ATOM 212 C CD2 . PHE A 1 25 ? -3.571 -3.151 -7.690 1.00 80.20 25 A 1 ATOM 213 C CE1 . PHE A 1 25 ? -2.236 -0.942 -8.808 1.00 76.48 25 A 1 ATOM 214 C CE2 . PHE A 1 25 ? -2.313 -3.323 -8.296 1.00 78.44 25 A 1 ATOM 215 C CZ . PHE A 1 25 ? -1.646 -2.218 -8.856 1.00 79.53 25 A 1 ATOM 216 N N . GLN A 1 26 ? -5.131 0.494 -4.661 1.00 88.32 26 A 1 ATOM 217 C CA . GLN A 1 26 ? -4.430 1.584 -3.968 1.00 87.38 26 A 1 ATOM 218 C C . GLN A 1 26 ? -4.120 1.238 -2.505 1.00 85.48 26 A 1 ATOM 219 O O . GLN A 1 26 ? -2.998 1.461 -2.043 1.00 85.43 26 A 1 ATOM 220 C CB . GLN A 1 26 ? -5.270 2.866 -4.027 1.00 88.68 26 A 1 ATOM 221 C CG . GLN A 1 26 ? -5.221 3.534 -5.413 1.00 85.36 26 A 1 ATOM 222 C CD . GLN A 1 26 ? -6.037 4.825 -5.456 1.00 79.81 26 A 1 ATOM 223 O OE1 . GLN A 1 26 ? -6.762 5.183 -4.541 1.00 74.66 26 A 1 ATOM 224 N NE2 . GLN A 1 26 ? -5.940 5.595 -6.516 1.00 70.36 26 A 1 ATOM 225 N N . MET A 1 27 ? -5.082 0.651 -1.788 1.00 82.42 27 A 1 ATOM 226 C CA . MET A 1 27 ? -4.867 0.165 -0.418 1.00 81.80 27 A 1 ATOM 227 C C . MET A 1 27 ? -3.792 -0.922 -0.358 1.00 79.23 27 A 1 ATOM 228 O O . MET A 1 27 ? -2.928 -0.888 0.522 1.00 77.60 27 A 1 ATOM 229 C CB . MET A 1 27 ? -6.190 -0.368 0.162 1.00 82.07 27 A 1 ATOM 230 C CG . MET A 1 27 ? -7.085 0.751 0.698 1.00 75.14 27 A 1 ATOM 231 S SD . MET A 1 27 ? -6.430 1.549 2.188 1.00 67.24 27 A 1 ATOM 232 C CE . MET A 1 27 ? -7.922 2.422 2.742 1.00 59.65 27 A 1 ATOM 233 N N . TYR A 1 28 ? -3.801 -1.858 -1.304 1.00 84.33 28 A 1 ATOM 234 C CA . TYR A 1 28 ? -2.780 -2.896 -1.416 1.00 82.34 28 A 1 ATOM 235 C C . TYR A 1 28 ? -1.381 -2.303 -1.646 1.00 81.43 28 A 1 ATOM 236 O O . TYR A 1 28 ? -0.444 -2.641 -0.919 1.00 82.48 28 A 1 ATOM 237 C CB . TYR A 1 28 ? -3.166 -3.871 -2.532 1.00 83.72 28 A 1 ATOM 238 C CG . TYR A 1 28 ? -2.127 -4.953 -2.752 1.00 83.56 28 A 1 ATOM 239 C CD1 . TYR A 1 28 ? -1.204 -4.848 -3.815 1.00 78.08 28 A 1 ATOM 240 C CD2 . TYR A 1 28 ? -2.058 -6.049 -1.868 1.00 78.03 28 A 1 ATOM 241 C CE1 . TYR A 1 28 ? -0.222 -5.839 -3.997 1.00 74.07 28 A 1 ATOM 242 C CE2 . TYR A 1 28 ? -1.074 -7.042 -2.044 1.00 76.74 28 A 1 ATOM 243 C CZ . TYR A 1 28 ? -0.157 -6.935 -3.110 1.00 76.01 28 A 1 ATOM 244 O OH . TYR A 1 28 ? 0.797 -7.895 -3.282 1.00 74.39 28 A 1 ATOM 245 N N . LEU A 1 29 ? -1.234 -1.361 -2.586 1.00 87.19 29 A 1 ATOM 246 C CA . LEU A 1 29 ? 0.039 -0.675 -2.841 1.00 85.41 29 A 1 ATOM 247 C C . LEU A 1 29 ? 0.524 0.121 -1.625 1.00 83.59 29 A 1 ATOM 248 O O . LEU A 1 29 ? 1.714 0.092 -1.305 1.00 84.92 29 A 1 ATOM 249 C CB . LEU A 1 29 ? -0.114 0.270 -4.044 1.00 87.74 29 A 1 ATOM 250 C CG . LEU A 1 29 ? -0.190 -0.415 -5.418 1.00 82.39 29 A 1 ATOM 251 C CD1 . LEU A 1 29 ? -0.385 0.672 -6.476 1.00 77.07 29 A 1 ATOM 252 C CD2 . LEU A 1 29 ? 1.088 -1.191 -5.761 1.00 79.07 29 A 1 ATOM 253 N N . TYR A 1 30 ? -0.393 0.803 -0.928 1.00 89.93 30 A 1 ATOM 254 C CA . TYR A 1 30 ? -0.067 1.507 0.316 1.00 87.56 30 A 1 ATOM 255 C C . TYR A 1 30 ? 0.464 0.545 1.384 1.00 86.53 30 A 1 ATOM 256 O O . TYR A 1 30 ? 1.498 0.805 2.007 1.00 86.54 30 A 1 ATOM 257 C CB . TYR A 1 30 ? -1.302 2.253 0.815 1.00 88.77 30 A 1 ATOM 258 C CG . TYR A 1 30 ? -1.066 2.946 2.141 1.00 86.75 30 A 1 ATOM 259 C CD1 . TYR A 1 30 ? -1.470 2.335 3.349 1.00 80.89 30 A 1 ATOM 260 C CD2 . TYR A 1 30 ? -0.409 4.193 2.173 1.00 81.80 30 A 1 ATOM 261 C CE1 . TYR A 1 30 ? -1.223 2.969 4.581 1.00 79.17 30 A 1 ATOM 262 C CE2 . TYR A 1 30 ? -0.158 4.832 3.407 1.00 80.76 30 A 1 ATOM 263 C CZ . TYR A 1 30 ? -0.566 4.218 4.612 1.00 81.17 30 A 1 ATOM 264 O OH . TYR A 1 30 ? -0.329 4.835 5.806 1.00 79.17 30 A 1 ATOM 265 N N . PHE A 1 31 ? -0.196 -0.594 1.571 1.00 87.05 31 A 1 ATOM 266 C CA . PHE A 1 31 ? 0.233 -1.621 2.519 1.00 83.00 31 A 1 ATOM 267 C C . PHE A 1 31 ? 1.591 -2.224 2.136 1.00 82.97 31 A 1 ATOM 268 O O . PHE A 1 31 ? 2.469 -2.351 2.994 1.00 83.06 31 A 1 ATOM 269 C CB . PHE A 1 31 ? -0.847 -2.698 2.615 1.00 82.86 31 A 1 ATOM 270 C CG . PHE A 1 31 ? -0.602 -3.673 3.749 1.00 74.15 31 A 1 ATOM 271 C CD1 . PHE A 1 31 ? 0.028 -4.910 3.512 1.00 68.41 31 A 1 ATOM 272 C CD2 . PHE A 1 31 ? -1.017 -3.338 5.055 1.00 68.55 31 A 1 ATOM 273 C CE1 . PHE A 1 31 ? 0.220 -5.816 4.573 1.00 63.78 31 A 1 ATOM 274 C CE2 . PHE A 1 31 ? -0.823 -4.244 6.113 1.00 64.98 31 A 1 ATOM 275 C CZ . PHE A 1 31 ? -0.212 -5.485 5.869 1.00 63.80 31 A 1 ATOM 276 N N . LEU A 1 32 ? 1.799 -2.529 0.859 1.00 87.05 32 A 1 ATOM 277 C CA . LEU A 1 32 ? 3.063 -3.051 0.339 1.00 85.08 32 A 1 ATOM 278 C C . LEU A 1 32 ? 4.212 -2.056 0.549 1.00 84.21 32 A 1 ATOM 279 O O . LEU A 1 32 ? 5.276 -2.432 1.030 1.00 83.34 32 A 1 ATOM 280 C CB . LEU A 1 32 ? 2.878 -3.383 -1.154 1.00 86.14 32 A 1 ATOM 281 C CG . LEU A 1 32 ? 3.982 -4.309 -1.701 1.00 80.75 32 A 1 ATOM 282 C CD1 . LEU A 1 32 ? 3.747 -5.758 -1.275 1.00 74.60 32 A 1 ATOM 283 C CD2 . LEU A 1 32 ? 4.012 -4.250 -3.227 1.00 74.93 32 A 1 ATOM 284 N N . ARG A 1 33 ? 3.975 -0.776 0.272 1.00 86.73 33 A 1 ATOM 285 C CA . ARG A 1 33 ? 4.957 0.298 0.492 1.00 84.77 33 A 1 ATOM 286 C C . ARG A 1 33 ? 5.306 0.454 1.970 1.00 82.99 33 A 1 ATOM 287 O O . ARG A 1 33 ? 6.478 0.598 2.305 1.00 79.99 33 A 1 ATOM 288 C CB . ARG A 1 33 ? 4.420 1.605 -0.109 1.00 85.25 33 A 1 ATOM 289 C CG . ARG A 1 33 ? 5.483 2.718 -0.111 1.00 76.96 33 A 1 ATOM 290 C CD . ARG A 1 33 ? 4.933 3.974 -0.794 1.00 74.74 33 A 1 ATOM 291 N NE . ARG A 1 33 ? 5.945 5.053 -0.843 1.00 66.11 33 A 1 ATOM 292 C CZ . ARG A 1 33 ? 5.815 6.226 -1.439 1.00 61.06 33 A 1 ATOM 293 N NH1 . ARG A 1 33 ? 4.717 6.564 -2.055 1.00 57.23 33 A 1 ATOM 294 N NH2 . ARG A 1 33 ? 6.792 7.089 -1.430 1.00 55.04 33 A 1 ATOM 295 N N . ARG A 1 34 ? 4.313 0.382 2.856 1.00 83.00 34 A 1 ATOM 296 C CA . ARG A 1 34 ? 4.531 0.455 4.309 1.00 81.69 34 A 1 ATOM 297 C C . ARG A 1 34 ? 5.324 -0.747 4.831 1.00 80.93 34 A 1 ATOM 298 O O . ARG A 1 34 ? 6.255 -0.564 5.610 1.00 76.92 34 A 1 ATOM 299 C CB . ARG A 1 34 ? 3.174 0.610 5.016 1.00 81.74 34 A 1 ATOM 300 C CG . ARG A 1 34 ? 3.345 0.958 6.500 1.00 74.70 34 A 1 ATOM 301 C CD . ARG A 1 34 ? 1.981 1.175 7.158 1.00 72.07 34 A 1 ATOM 302 N NE . ARG A 1 34 ? 2.117 1.555 8.575 1.00 64.62 34 A 1 ATOM 303 C CZ . ARG A 1 34 ? 1.134 1.726 9.444 1.00 60.36 34 A 1 ATOM 304 N NH1 . ARG A 1 34 ? -0.114 1.549 9.114 1.00 56.17 34 A 1 ATOM 305 N NH2 . ARG A 1 34 ? 1.388 2.083 10.673 1.00 53.72 34 A 1 ATOM 306 N N . ARG A 1 35 ? 4.992 -1.964 4.387 1.00 82.98 35 A 1 ATOM 307 C CA . ARG A 1 35 ? 5.750 -3.183 4.728 1.00 82.52 35 A 1 ATOM 308 C C . ARG A 1 35 ? 7.172 -3.141 4.168 1.00 82.57 35 A 1 ATOM 309 O O . ARG A 1 35 ? 8.109 -3.435 4.908 1.00 77.81 35 A 1 ATOM 310 C CB . ARG A 1 35 ? 5.005 -4.428 4.212 1.00 82.77 35 A 1 ATOM 311 C CG . ARG A 1 35 ? 3.730 -4.774 5.001 1.00 77.93 35 A 1 ATOM 312 C CD . ARG A 1 35 ? 4.054 -5.426 6.358 1.00 73.28 35 A 1 ATOM 313 N NE . ARG A 1 35 ? 2.831 -5.926 7.016 1.00 67.48 35 A 1 ATOM 314 C CZ . ARG A 1 35 ? 2.763 -6.676 8.102 1.00 61.36 35 A 1 ATOM 315 N NH1 . ARG A 1 35 ? 3.831 -7.052 8.753 1.00 57.57 35 A 1 ATOM 316 N NH2 . ARG A 1 35 ? 1.610 -7.077 8.556 1.00 54.78 35 A 1 ATOM 317 N N . GLY A 1 36 ? 7.341 -2.721 2.911 1.00 78.06 36 A 1 ATOM 318 C CA . GLY A 1 36 ? 8.650 -2.543 2.280 1.00 77.24 36 A 1 ATOM 319 C C . GLY A 1 36 ? 9.515 -1.521 3.015 1.00 77.55 36 A 1 ATOM 320 O O . GLY A 1 36 ? 10.689 -1.785 3.254 1.00 73.82 36 A 1 ATOM 321 N N . ALA A 1 37 ? 8.944 -0.405 3.465 1.00 73.99 37 A 1 ATOM 322 C CA . ALA A 1 37 ? 9.656 0.590 4.269 1.00 74.68 37 A 1 ATOM 323 C C . ALA A 1 37 ? 10.105 0.028 5.629 1.00 75.23 37 A 1 ATOM 324 O O . ALA A 1 37 ? 11.220 0.306 6.053 1.00 71.60 37 A 1 ATOM 325 C CB . ALA A 1 37 ? 8.767 1.828 4.442 1.00 73.44 37 A 1 ATOM 326 N N . ILE A 1 38 ? 9.276 -0.796 6.284 1.00 71.57 38 A 1 ATOM 327 C CA . ILE A 1 38 ? 9.642 -1.462 7.547 1.00 72.74 38 A 1 ATOM 328 C C . ILE A 1 38 ? 10.780 -2.464 7.317 1.00 73.81 38 A 1 ATOM 329 O O . ILE A 1 38 ? 11.757 -2.457 8.062 1.00 71.40 38 A 1 ATOM 330 C CB . ILE A 1 38 ? 8.407 -2.134 8.194 1.00 73.28 38 A 1 ATOM 331 C CG1 . ILE A 1 38 ? 7.387 -1.066 8.659 1.00 70.36 38 A 1 ATOM 332 C CG2 . ILE A 1 38 ? 8.814 -3.012 9.396 1.00 68.52 38 A 1 ATOM 333 C CD1 . ILE A 1 38 ? 5.990 -1.632 8.936 1.00 64.68 38 A 1 ATOM 334 N N . ILE A 1 39 ? 10.682 -3.294 6.276 1.00 71.47 39 A 1 ATOM 335 C CA . ILE A 1 39 ? 11.734 -4.264 5.933 1.00 73.20 39 A 1 ATOM 336 C C . ILE A 1 39 ? 13.034 -3.539 5.567 1.00 73.37 39 A 1 ATOM 337 O O . ILE A 1 39 ? 14.100 -3.920 6.045 1.00 70.68 39 A 1 ATOM 338 C CB . ILE A 1 39 ? 11.250 -5.200 4.802 1.00 74.18 39 A 1 ATOM 339 C CG1 . ILE A 1 39 ? 10.098 -6.098 5.309 1.00 73.38 39 A 1 ATOM 340 C CG2 . ILE A 1 39 ? 12.399 -6.074 4.266 1.00 70.63 39 A 1 ATOM 341 C CD1 . ILE A 1 39 ? 9.322 -6.799 4.189 1.00 66.68 39 A 1 ATOM 342 N N . LEU A 1 40 ? 12.957 -2.476 4.777 1.00 74.27 40 A 1 ATOM 343 C CA . LEU A 1 40 ? 14.116 -1.661 4.428 1.00 72.83 40 A 1 ATOM 344 C C . LEU A 1 40 ? 14.718 -0.992 5.666 1.00 72.12 40 A 1 ATOM 345 O O . LEU A 1 40 ? 15.931 -1.025 5.825 1.00 71.59 40 A 1 ATOM 346 C CB . LEU A 1 40 ? 13.714 -0.640 3.351 1.00 74.86 40 A 1 ATOM 347 C CG . LEU A 1 40 ? 14.907 0.109 2.725 1.00 69.05 40 A 1 ATOM 348 C CD1 . LEU A 1 40 ? 15.766 -0.817 1.863 1.00 64.34 40 A 1 ATOM 349 C CD2 . LEU A 1 40 ? 14.387 1.239 1.835 1.00 66.20 40 A 1 ATOM 350 N N . SER A 1 41 ? 13.905 -0.469 6.583 1.00 73.50 41 A 1 ATOM 351 C CA . SER A 1 41 ? 14.412 0.092 7.841 1.00 71.90 41 A 1 ATOM 352 C C . SER A 1 41 ? 15.040 -0.956 8.761 1.00 71.43 41 A 1 ATOM 353 O O . SER A 1 41 ? 15.965 -0.625 9.488 1.00 70.44 41 A 1 ATOM 354 C CB . SER A 1 41 ? 13.327 0.870 8.595 1.00 71.17 41 A 1 ATOM 355 O OG . SER A 1 41 ? 12.276 0.054 9.071 1.00 62.00 41 A 1 ATOM 356 N N . LEU A 1 42 ? 14.583 -2.206 8.712 1.00 76.26 42 A 1 ATOM 357 C CA . LEU A 1 42 ? 15.211 -3.324 9.426 1.00 75.69 42 A 1 ATOM 358 C C . LEU A 1 42 ? 16.528 -3.761 8.770 1.00 75.52 42 A 1 ATOM 359 O O . LEU A 1 42 ? 17.469 -4.101 9.479 1.00 74.05 42 A 1 ATOM 360 C CB . LEU A 1 42 ? 14.219 -4.502 9.485 1.00 77.86 42 A 1 ATOM 361 C CG . LEU A 1 42 ? 13.198 -4.379 10.629 1.00 71.53 42 A 1 ATOM 362 C CD1 . LEU A 1 42 ? 11.958 -5.227 10.342 1.00 67.68 42 A 1 ATOM 363 C CD2 . LEU A 1 42 ? 13.794 -4.857 11.954 1.00 68.32 42 A 1 ATOM 364 N N . LEU A 1 43 ? 16.609 -3.738 7.436 1.00 75.45 43 A 1 ATOM 365 C CA . LEU A 1 43 ? 17.817 -4.091 6.678 1.00 73.75 43 A 1 ATOM 366 C C . LEU A 1 43 ? 18.885 -2.990 6.711 1.00 71.91 43 A 1 ATOM 367 O O . LEU A 1 43 ? 20.073 -3.293 6.780 1.00 70.51 43 A 1 ATOM 368 C CB . LEU A 1 43 ? 17.414 -4.402 5.223 1.00 76.35 43 A 1 ATOM 369 C CG . LEU A 1 43 ? 16.876 -5.831 5.033 1.00 70.21 43 A 1 ATOM 370 C CD1 . LEU A 1 43 ? 16.030 -5.917 3.759 1.00 65.34 43 A 1 ATOM 371 C CD2 . LEU A 1 43 ? 18.015 -6.842 4.901 1.00 65.44 43 A 1 ATOM 372 N N . THR A 1 44 ? 18.482 -1.731 6.659 1.00 72.42 44 A 1 ATOM 373 C CA . THR A 1 44 ? 19.390 -0.572 6.758 1.00 70.00 44 A 1 ATOM 374 C C . THR A 1 44 ? 19.601 -0.103 8.198 1.00 66.26 44 A 1 ATOM 375 O O . THR A 1 44 ? 20.523 0.658 8.470 1.00 61.78 44 A 1 ATOM 376 C CB . THR A 1 44 ? 18.900 0.609 5.907 1.00 71.49 44 A 1 ATOM 377 O OG1 . THR A 1 44 ? 17.625 1.046 6.308 1.00 67.00 44 A 1 ATOM 378 C CG2 . THR A 1 44 ? 18.833 0.267 4.420 1.00 67.49 44 A 1 ATOM 379 N N . GLY A 1 45 ? 18.761 -0.572 9.117 1.00 70.78 45 A 1 ATOM 380 C CA . GLY A 1 45 ? 18.868 -0.407 10.553 1.00 67.60 45 A 1 ATOM 381 C C . GLY A 1 45 ? 19.916 -1.348 11.124 1.00 65.62 45 A 1 ATOM 382 O O . GLY A 1 45 ? 19.600 -2.214 11.924 1.00 62.92 45 A 1 ATOM 383 N N . ILE A 1 46 ? 21.167 -1.156 10.753 1.00 61.30 46 A 1 ATOM 384 C CA . ILE A 1 46 ? 22.259 -1.413 11.685 1.00 58.98 46 A 1 ATOM 385 C C . ILE A 1 46 ? 21.944 -0.517 12.878 1.00 58.86 46 A 1 ATOM 386 O O . ILE A 1 46 ? 22.115 0.701 12.811 1.00 53.15 46 A 1 ATOM 387 C CB . ILE A 1 46 ? 23.634 -1.116 11.061 1.00 54.36 46 A 1 ATOM 388 C CG1 . ILE A 1 46 ? 23.881 -2.042 9.851 1.00 50.32 46 A 1 ATOM 389 C CG2 . ILE A 1 46 ? 24.742 -1.298 12.121 1.00 50.01 46 A 1 ATOM 390 C CD1 . ILE A 1 46 ? 25.144 -1.697 9.048 1.00 47.15 46 A 1 ATOM 391 N N . ASP A 1 47 ? 21.370 -1.108 13.918 1.00 57.54 47 A 1 ATOM 392 C CA . ASP A 1 47 ? 20.959 -0.427 15.137 1.00 59.71 47 A 1 ATOM 393 C C . ASP A 1 47 ? 22.159 0.405 15.619 1.00 60.58 47 A 1 ATOM 394 O O . ASP A 1 47 ? 23.222 -0.171 15.880 1.00 58.56 47 A 1 ATOM 395 C CB . ASP A 1 47 ? 20.510 -1.491 16.161 1.00 57.39 47 A 1 ATOM 396 C CG . ASP A 1 47 ? 19.803 -0.925 17.394 1.00 51.41 47 A 1 ATOM 397 O OD1 . ASP A 1 47 ? 20.059 0.251 17.742 1.00 48.62 47 A 1 ATOM 398 O OD2 . ASP A 1 47 ? 19.029 -1.682 18.017 1.00 48.31 47 A 1 ATOM 399 N N . PRO A 1 48 ? 22.053 1.736 15.715 1.00 62.77 48 A 1 ATOM 400 C CA . PRO A 1 48 ? 23.172 2.569 16.161 1.00 63.44 48 A 1 ATOM 401 C C . PRO A 1 48 ? 23.677 2.167 17.554 1.00 65.41 48 A 1 ATOM 402 O O . PRO A 1 48 ? 24.819 2.452 17.902 1.00 61.77 48 A 1 ATOM 403 C CB . PRO A 1 48 ? 22.650 4.013 16.108 1.00 61.26 48 A 1 ATOM 404 C CG . PRO A 1 48 ? 21.134 3.875 16.132 1.00 58.79 48 A 1 ATOM 405 C CD . PRO A 1 48 ? 20.885 2.549 15.419 1.00 61.60 48 A 1 ATOM 406 N N . ARG A 1 49 ? 22.872 1.418 18.330 1.00 65.21 49 A 1 ATOM 407 C CA . ARG A 1 49 ? 23.279 0.803 19.600 1.00 66.33 49 A 1 ATOM 408 C C . ARG A 1 49 ? 24.218 -0.394 19.416 1.00 65.67 49 A 1 ATOM 409 O O . ARG A 1 49 ? 25.124 -0.570 20.233 1.00 63.83 49 A 1 ATOM 410 C CB . ARG A 1 49 ? 22.037 0.375 20.395 1.00 66.92 49 A 1 ATOM 411 C CG . ARG A 1 49 ? 21.147 1.570 20.752 1.00 63.19 49 A 1 ATOM 412 C CD . ARG A 1 49 ? 19.963 1.094 21.591 1.00 61.68 49 A 1 ATOM 413 N NE . ARG A 1 49 ? 19.126 2.228 22.017 1.00 57.32 49 A 1 ATOM 414 C CZ . ARG A 1 49 ? 18.174 2.189 22.934 1.00 52.36 49 A 1 ATOM 415 N NH1 . ARG A 1 49 ? 17.864 1.086 23.560 1.00 50.07 49 A 1 ATOM 416 N NH2 . ARG A 1 49 ? 17.508 3.268 23.241 1.00 47.77 49 A 1 ATOM 417 N N . LEU A 1 50 ? 24.057 -1.195 18.346 1.00 60.07 50 A 1 ATOM 418 C CA . LEU A 1 50 ? 24.974 -2.292 17.999 1.00 59.97 50 A 1 ATOM 419 C C . LEU A 1 50 ? 26.327 -1.759 17.520 1.00 59.33 50 A 1 ATOM 420 O O . LEU A 1 50 ? 27.371 -2.293 17.892 1.00 57.30 50 A 1 ATOM 421 C CB . LEU A 1 50 ? 24.310 -3.197 16.939 1.00 59.86 50 A 1 ATOM 422 C CG . LEU A 1 50 ? 23.725 -4.484 17.552 1.00 54.28 50 A 1 ATOM 423 C CD1 . LEU A 1 50 ? 22.493 -4.950 16.790 1.00 51.06 50 A 1 ATOM 424 C CD2 . LEU A 1 50 ? 24.762 -5.605 17.533 1.00 51.96 50 A 1 ATOM 425 N N . GLN A 1 51 ? 26.324 -0.646 16.775 1.00 56.39 51 A 1 ATOM 426 C CA . GLN A 1 51 ? 27.553 0.028 16.360 1.00 56.62 51 A 1 ATOM 427 C C . GLN A 1 51 ? 28.330 0.585 17.569 1.00 55.38 51 A 1 ATOM 428 O O . GLN A 1 51 ? 29.548 0.431 17.645 1.00 54.00 51 A 1 ATOM 429 C CB . GLN A 1 51 ? 27.185 1.098 15.325 1.00 56.58 51 A 1 ATOM 430 C CG . GLN A 1 51 ? 28.376 1.464 14.428 1.00 52.83 51 A 1 ATOM 431 C CD . GLN A 1 51 ? 27.986 2.393 13.279 1.00 50.32 51 A 1 ATOM 432 O OE1 . GLN A 1 51 ? 26.867 2.866 13.155 1.00 48.97 51 A 1 ATOM 433 N NE2 . GLN A 1 51 ? 28.896 2.701 12.386 1.00 45.95 51 A 1 ATOM 434 N N . GLN A 1 52 ? 27.634 1.131 18.573 1.00 54.87 52 A 1 ATOM 435 C CA . GLN A 1 52 ? 28.259 1.557 19.834 1.00 57.51 52 A 1 ATOM 436 C C . GLN A 1 52 ? 28.810 0.387 20.666 1.00 56.04 52 A 1 ATOM 437 O O . GLN A 1 52 ? 29.832 0.555 21.332 1.00 55.10 52 A 1 ATOM 438 C CB . GLN A 1 52 ? 27.261 2.359 20.681 1.00 59.40 52 A 1 ATOM 439 C CG . GLN A 1 52 ? 27.126 3.805 20.182 1.00 56.81 52 A 1 ATOM 440 C CD . GLN A 1 52 ? 26.202 4.645 21.050 1.00 55.84 52 A 1 ATOM 441 O OE1 . GLN A 1 52 ? 25.435 4.168 21.878 1.00 54.46 52 A 1 ATOM 442 N NE2 . GLN A 1 52 ? 26.230 5.950 20.908 1.00 51.53 52 A 1 ATOM 443 N N . PHE A 1 53 ? 28.171 -0.799 20.627 1.00 56.98 53 A 1 ATOM 444 C CA . PHE A 1 53 ? 28.663 -1.988 21.330 1.00 55.77 53 A 1 ATOM 445 C C . PHE A 1 53 ? 29.962 -2.529 20.715 1.00 52.89 53 A 1 ATOM 446 O O . PHE A 1 53 ? 30.904 -2.827 21.449 1.00 52.09 53 A 1 ATOM 447 C CB . PHE A 1 53 ? 27.565 -3.064 21.381 1.00 57.40 53 A 1 ATOM 448 C CG . PHE A 1 53 ? 27.248 -3.510 22.796 1.00 53.90 53 A 1 ATOM 449 C CD1 . PHE A 1 53 ? 27.970 -4.565 23.385 1.00 51.20 53 A 1 ATOM 450 C CD2 . PHE A 1 53 ? 26.244 -2.854 23.534 1.00 50.90 53 A 1 ATOM 451 C CE1 . PHE A 1 53 ? 27.688 -4.967 24.702 1.00 48.19 53 A 1 ATOM 452 C CE2 . PHE A 1 53 ? 25.959 -3.252 24.853 1.00 47.96 53 A 1 ATOM 453 C CZ . PHE A 1 53 ? 26.680 -4.311 25.438 1.00 45.92 53 A 1 ATOM 454 N N . CYS A 1 54 ? 30.058 -2.570 19.379 1.00 54.99 54 A 1 ATOM 455 C CA . CYS A 1 54 ? 31.289 -2.980 18.689 1.00 55.59 54 A 1 ATOM 456 C C . CYS A 1 54 ? 32.444 -1.976 18.855 1.00 54.82 54 A 1 ATOM 457 O O . CYS A 1 54 ? 33.602 -2.371 18.836 1.00 52.45 54 A 1 ATOM 458 C CB . CYS A 1 54 ? 30.984 -3.210 17.202 1.00 54.52 54 A 1 ATOM 459 S SG . CYS A 1 54 ? 29.988 -4.713 16.992 1.00 46.29 54 A 1 ATOM 460 N N . THR A 1 55 ? 32.144 -0.686 19.030 1.00 51.63 55 A 1 ATOM 461 C CA . THR A 1 55 ? 33.199 0.330 19.220 1.00 54.27 55 A 1 ATOM 462 C C . THR A 1 55 ? 33.714 0.375 20.667 1.00 52.94 55 A 1 ATOM 463 O O . THR A 1 55 ? 34.863 0.733 20.892 1.00 50.16 55 A 1 ATOM 464 C CB . THR A 1 55 ? 32.726 1.720 18.763 1.00 53.52 55 A 1 ATOM 465 O OG1 . THR A 1 55 ? 32.002 1.649 17.556 1.00 48.99 55 A 1 ATOM 466 C CG2 . THR A 1 55 ? 33.892 2.666 18.477 1.00 49.19 55 A 1 ATOM 467 N N . LYS A 1 56 ? 32.885 -0.034 21.652 1.00 58.62 56 A 1 ATOM 468 C CA . LYS A 1 56 ? 33.287 -0.099 23.072 1.00 60.26 56 A 1 ATOM 469 C C . LYS A 1 56 ? 34.057 -1.365 23.464 1.00 57.65 56 A 1 ATOM 470 O O . LYS A 1 56 ? 34.662 -1.365 24.528 1.00 55.06 56 A 1 ATOM 471 C CB . LYS A 1 56 ? 32.066 0.085 23.987 1.00 61.54 56 A 1 ATOM 472 C CG . LYS A 1 56 ? 31.940 1.541 24.451 1.00 60.54 56 A 1 ATOM 473 C CD . LYS A 1 56 ? 30.787 1.677 25.448 1.00 59.61 56 A 1 ATOM 474 C CE . LYS A 1 56 ? 30.767 3.098 26.017 1.00 57.33 56 A 1 ATOM 475 N NZ . LYS A 1 56 ? 29.695 3.264 27.022 1.00 51.06 56 A 1 ATOM 476 N N . SER A 1 57 ? 34.034 -2.427 22.644 1.00 52.01 57 A 1 ATOM 477 C CA . SER A 1 57 ? 34.764 -3.670 22.928 1.00 53.63 57 A 1 ATOM 478 C C . SER A 1 57 ? 36.180 -3.716 22.341 1.00 51.40 57 A 1 ATOM 479 O O . SER A 1 57 ? 36.834 -4.749 22.446 1.00 50.34 57 A 1 ATOM 480 C CB . SER A 1 57 ? 33.942 -4.882 22.476 1.00 53.75 57 A 1 ATOM 481 O OG . SER A 1 57 ? 33.749 -4.848 21.078 1.00 48.74 57 A 1 ATOM 482 N N . ILE A 1 58 ? 36.649 -2.641 21.701 1.00 50.24 58 A 1 ATOM 483 C CA . ILE A 1 58 ? 37.984 -2.551 21.068 1.00 52.62 58 A 1 ATOM 484 C C . ILE A 1 58 ? 38.884 -1.529 21.796 1.00 51.92 58 A 1 ATOM 485 O O . ILE A 1 58 ? 39.991 -1.256 21.360 1.00 48.19 58 A 1 ATOM 486 C CB . ILE A 1 58 ? 37.847 -2.355 19.528 1.00 50.73 58 A 1 ATOM 487 C CG1 . ILE A 1 58 ? 37.010 -3.504 18.907 1.00 47.16 58 A 1 ATOM 488 C CG2 . ILE A 1 58 ? 39.205 -2.292 18.786 1.00 47.78 58 A 1 ATOM 489 C CD1 . ILE A 1 58 ? 36.673 -3.339 17.415 1.00 43.79 58 A 1 ATOM 490 N N . PHE A 1 59 ? 38.428 -1.011 22.943 1.00 46.45 59 A 1 ATOM 491 C CA . PHE A 1 59 ? 39.262 -0.201 23.840 1.00 49.45 59 A 1 ATOM 492 C C . PHE A 1 59 ? 39.195 -0.741 25.269 1.00 43.72 59 A 1 ATOM 493 O O . PHE A 1 59 ? 38.078 -1.048 25.723 1.00 40.36 59 A 1 ATOM 494 C CB . PHE A 1 59 ? 38.857 1.277 23.772 1.00 47.41 59 A 1 ATOM 495 C CG . PHE A 1 59 ? 39.576 2.059 22.690 1.00 43.91 59 A 1 ATOM 496 C CD1 . PHE A 1 59 ? 40.871 2.550 22.935 1.00 41.24 59 A 1 ATOM 497 C CD2 . PHE A 1 59 ? 38.965 2.288 21.442 1.00 41.23 59 A 1 ATOM 498 C CE1 . PHE A 1 59 ? 41.553 3.270 21.942 1.00 40.58 59 A 1 ATOM 499 C CE2 . PHE A 1 59 ? 39.649 3.004 20.445 1.00 45.59 59 A 1 ATOM 500 C CZ . PHE A 1 59 ? 40.945 3.495 20.697 1.00 41.50 59 A 1 ATOM 501 O OXT . PHE A 1 59 ? 40.299 -0.821 25.867 1.00 47.05 59 A 1 #