data_2SPT # _entry.id 2SPT # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2SPT WWPDB D_1000178648 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2SPT _pdbx_database_status.recvd_initial_deposition_date 1994-02-01 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site BNL _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # _audit_author.name 'Tulinsky, A.' _audit_author.pdbx_ordinal 1 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Differences in the metal ion structure between Sr- and Ca-prothrombin fragment 1.' Biochemistry 33 1087 1092 1994 BICHAW US 0006-2960 0033 ? 8110739 10.1021/bi00171a006 1 'The Ca2+ Ion and Membrane Binding Structure of the Gla Domain of Ca-Prothrombin Fragment 1' Biochemistry 31 2554 ? 1992 BICHAW US 0006-2960 0033 ? ? ? 2 'Structure of Bovine Prothrombin Fragment 1 Refined at 2.25 Angstroms Resolution' J.Mol.Biol. 220 481 ? 1991 JMOBAK UK 0022-2836 0070 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Seshadri, T.P.' 1 primary 'Skrzypczak-Jankun, E.' 2 primary 'Yin, M.' 3 primary 'Tulinsky, A.' 4 1 'Soriano-Garcia, M.' 5 1 'Padmanabhan, K.' 6 1 'De Vos, A.M.' 7 1 'Tulinsky, A.' 8 2 'Seshadri, T.P.' 9 2 'Tulinsky, A.' 10 2 'Skrzypczak-Jankun, E.' 11 2 'Park, C.H.' 12 # _cell.entry_id 2SPT _cell.length_a 39.690 _cell.length_b 54.120 _cell.length_c 131.170 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2SPT _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man PROTHROMBIN 16729.180 1 3.4.21.5 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn 'STRONTIUM ION' 87.620 8 ? ? ? ? 4 water nat water 18.015 90 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;ANKGFL(CGU)(CGU)VRKGNL(CGU)R(CGU)CL(CGU)(CGU)PCSR(CGU)(CGU)AF(CGU)AL(CGU)SLSATDA FWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDG SITGPWCYTTSPTLRREECSVPVCG ; _entity_poly.pdbx_seq_one_letter_code_can ;ANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSV TRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCG ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 ASN n 1 3 LYS n 1 4 GLY n 1 5 PHE n 1 6 LEU n 1 7 CGU n 1 8 CGU n 1 9 VAL n 1 10 ARG n 1 11 LYS n 1 12 GLY n 1 13 ASN n 1 14 LEU n 1 15 CGU n 1 16 ARG n 1 17 CGU n 1 18 CYS n 1 19 LEU n 1 20 CGU n 1 21 CGU n 1 22 PRO n 1 23 CYS n 1 24 SER n 1 25 ARG n 1 26 CGU n 1 27 CGU n 1 28 ALA n 1 29 PHE n 1 30 CGU n 1 31 ALA n 1 32 LEU n 1 33 CGU n 1 34 SER n 1 35 LEU n 1 36 SER n 1 37 ALA n 1 38 THR n 1 39 ASP n 1 40 ALA n 1 41 PHE n 1 42 TRP n 1 43 ALA n 1 44 LYS n 1 45 TYR n 1 46 THR n 1 47 ALA n 1 48 CYS n 1 49 GLU n 1 50 SER n 1 51 ALA n 1 52 ARG n 1 53 ASN n 1 54 PRO n 1 55 ARG n 1 56 GLU n 1 57 LYS n 1 58 LEU n 1 59 ASN n 1 60 GLU n 1 61 CYS n 1 62 LEU n 1 63 GLU n 1 64 GLY n 1 65 ASN n 1 66 CYS n 1 67 ALA n 1 68 GLU n 1 69 GLY n 1 70 VAL n 1 71 GLY n 1 72 MET n 1 73 ASN n 1 74 TYR n 1 75 ARG n 1 76 GLY n 1 77 ASN n 1 78 VAL n 1 79 SER n 1 80 VAL n 1 81 THR n 1 82 ARG n 1 83 SER n 1 84 GLY n 1 85 ILE n 1 86 GLU n 1 87 CYS n 1 88 GLN n 1 89 LEU n 1 90 TRP n 1 91 ARG n 1 92 SER n 1 93 ARG n 1 94 TYR n 1 95 PRO n 1 96 HIS n 1 97 LYS n 1 98 PRO n 1 99 GLU n 1 100 ILE n 1 101 ASN n 1 102 SER n 1 103 THR n 1 104 THR n 1 105 HIS n 1 106 PRO n 1 107 GLY n 1 108 ALA n 1 109 ASP n 1 110 LEU n 1 111 ARG n 1 112 GLU n 1 113 ASN n 1 114 PHE n 1 115 CYS n 1 116 ARG n 1 117 ASN n 1 118 PRO n 1 119 ASP n 1 120 GLY n 1 121 SER n 1 122 ILE n 1 123 THR n 1 124 GLY n 1 125 PRO n 1 126 TRP n 1 127 CYS n 1 128 TYR n 1 129 THR n 1 130 THR n 1 131 SER n 1 132 PRO n 1 133 THR n 1 134 LEU n 1 135 ARG n 1 136 ARG n 1 137 GLU n 1 138 GLU n 1 139 CYS n 1 140 SER n 1 141 VAL n 1 142 PRO n 1 143 VAL n 1 144 CYS n 1 145 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name cattle _entity_src_gen.gene_src_genus Bos _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Bos taurus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9913 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code THRB_BOVIN _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P00735 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSA TDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRN PDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSS EQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSE DHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLIS DRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDY IHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGE GKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2SPT _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 145 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P00735 _struct_ref_seq.db_align_beg 44 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 188 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 145 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2SPT CGU A 7 ? UNP P00735 GLU 50 CONFLICT 7 1 1 2SPT CGU A 8 ? UNP P00735 GLU 51 CONFLICT 8 2 1 2SPT CGU A 15 ? UNP P00735 GLU 58 CONFLICT 15 3 1 2SPT CGU A 17 ? UNP P00735 GLU 60 CONFLICT 17 4 1 2SPT CGU A 20 ? UNP P00735 GLU 63 CONFLICT 20 5 1 2SPT CGU A 21 ? UNP P00735 GLU 64 CONFLICT 21 6 1 2SPT CGU A 26 ? UNP P00735 GLU 69 CONFLICT 26 7 1 2SPT CGU A 27 ? UNP P00735 GLU 70 CONFLICT 27 8 1 2SPT CGU A 30 ? UNP P00735 GLU 73 CONFLICT 30 9 1 2SPT CGU A 33 ? UNP P00735 GLU 76 CONFLICT 33 10 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CGU 'L-peptide linking' n 'GAMMA-CARBOXY-GLUTAMIC ACID' ? 'C6 H9 N O6' 191.139 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SR non-polymer . 'STRONTIUM ION' ? 'Sr 2' 87.620 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2SPT _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.21 _exptl_crystal.density_percent_sol 70.77 _exptl_crystal.description ? # _diffrn.id 1 _diffrn.crystal_id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? # _refine.entry_id 2SPT _refine.ls_number_reflns_obs 4812 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 7.0 _refine.ls_d_res_high 2.5 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.167 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1158 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 22 _refine_hist.number_atoms_solvent 90 _refine_hist.number_atoms_total 1270 _refine_hist.d_res_high 2.5 _refine_hist.d_res_low 7.0 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.013 0.020 ? ? 'X-RAY DIFFRACTION' ? p_angle_d 0.050 0.040 ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d 0.058 0.060 ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it 0.5 1.2 ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it 0.9 1.5 ? ? 'X-RAY DIFFRACTION' ? p_scbond_it 0.8 1.5 ? ? 'X-RAY DIFFRACTION' ? p_scangle_it 1.4 2.0 ? ? 'X-RAY DIFFRACTION' ? p_plane_restr 0.016 0.030 ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr 0.017 0.150 ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd 0.25 0.50 ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd 0.33 0.50 ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd 0.33 0.50 ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor 2. 3. ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor 24. 15. ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor 29. 20. ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 2SPT _struct.title 'DIFFERENCES IN THE METAL ION STRUCTURE BETWEEN SR-AND CA-PROTHROMBIN FRAGMENT 1' _struct.pdbx_descriptor 'PROTHROMBIN (E.C.3.4.21.5) FRAGMENT 1 COMPLEXED WITH STRONTIUM' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2SPT _struct_keywords.pdbx_keywords 'HYDROLASE(SERINE PROTEINASE)' _struct_keywords.text 'HYDROLASE(SERINE PROTEINASE)' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 4 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 H1 LEU A 14 ? CGU A 17 ? LEU A 14 CGU A 17 1 ? 4 HELX_P HELX_P2 H2 ARG A 25 ? ALA A 31 ? ARG A 25 ALA A 31 1 ? 7 HELX_P HELX_P3 H3 SER A 36 ? ALA A 47 ? SER A 36 ALA A 47 1 ? 12 HELX_P HELX_P4 H4 ARG A 55 ? LEU A 62 ? ARG A 55 LEU A 62 1 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 18 SG ? ? ? 1_555 A CYS 23 SG ? ? A CYS 18 A CYS 23 1_555 ? ? ? ? ? ? ? 2.058 ? disulf2 disulf ? ? A CYS 48 SG ? ? ? 1_555 A CYS 61 SG ? ? A CYS 48 A CYS 61 1_555 ? ? ? ? ? ? ? 2.042 ? disulf3 disulf ? ? A CYS 66 SG ? ? ? 1_555 A CYS 144 SG ? ? A CYS 66 A CYS 144 1_555 ? ? ? ? ? ? ? 2.036 ? disulf4 disulf ? ? A CYS 87 SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 87 A CYS 127 1_555 ? ? ? ? ? ? ? 2.028 ? disulf5 disulf ? ? A CYS 115 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 115 A CYS 139 1_555 ? ? ? ? ? ? ? 2.043 ? covale1 covale ? ? A ASN 101 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 101 A NAG 161 1_555 ? ? ? ? ? ? ? 1.382 ? covale2 covale ? ? A GLY 4 O ? ? ? 1_555 A CGU 7 OE21 ? ? A GLY 4 A CGU 7 1_555 ? ? ? ? ? ? ? 1.609 ? covale3 covale ? ? A LEU 6 C ? ? ? 1_555 A CGU 7 N ? ? A LEU 6 A CGU 7 1_555 ? ? ? ? ? ? ? 1.323 ? covale4 covale ? ? A CGU 7 C ? ? ? 1_555 A CGU 8 N ? ? A CGU 7 A CGU 8 1_555 ? ? ? ? ? ? ? 1.340 ? covale5 covale ? ? A CGU 8 C ? ? ? 1_555 A VAL 9 N ? ? A CGU 8 A VAL 9 1_555 ? ? ? ? ? ? ? 1.304 ? covale6 covale ? ? A LEU 14 C ? ? ? 1_555 A CGU 15 N ? ? A LEU 14 A CGU 15 1_555 ? ? ? ? ? ? ? 1.306 ? covale7 covale ? ? A CGU 15 C ? ? ? 1_555 A ARG 16 N ? ? A CGU 15 A ARG 16 1_555 ? ? ? ? ? ? ? 1.311 ? covale8 covale ? ? A ARG 16 C ? ? ? 1_555 A CGU 17 N ? ? A ARG 16 A CGU 17 1_555 ? ? ? ? ? ? ? 1.284 ? covale9 covale ? ? A CGU 17 C ? ? ? 1_555 A CYS 18 N ? ? A CGU 17 A CYS 18 1_555 ? ? ? ? ? ? ? 1.409 ? covale10 covale ? ? A LEU 19 C ? ? ? 1_555 A CGU 20 N ? ? A LEU 19 A CGU 20 1_555 ? ? ? ? ? ? ? 1.321 ? covale11 covale ? ? A CGU 20 C ? ? ? 1_555 A CGU 21 N ? ? A CGU 20 A CGU 21 1_555 ? ? ? ? ? ? ? 1.310 ? covale12 covale ? ? A CGU 21 C ? ? ? 1_555 A PRO 22 N ? ? A CGU 21 A PRO 22 1_555 ? ? ? ? ? ? ? 1.304 ? covale13 covale ? ? A ARG 25 C ? ? ? 1_555 A CGU 26 N ? ? A ARG 25 A CGU 26 1_555 ? ? ? ? ? ? ? 1.329 ? covale14 covale ? ? A CGU 26 C ? ? ? 1_555 A CGU 27 N ? ? A CGU 26 A CGU 27 1_555 ? ? ? ? ? ? ? 1.332 ? covale15 covale ? ? A CGU 27 C ? ? ? 1_555 A ALA 28 N ? ? A CGU 27 A ALA 28 1_555 ? ? ? ? ? ? ? 1.323 ? covale16 covale ? ? A PHE 29 C ? ? ? 1_555 A CGU 30 N ? ? A PHE 29 A CGU 30 1_555 ? ? ? ? ? ? ? 1.296 ? covale17 covale ? ? A CGU 30 C ? ? ? 1_555 A ALA 31 N ? ? A CGU 30 A ALA 31 1_555 ? ? ? ? ? ? ? 1.316 ? covale18 covale ? ? A LEU 32 C ? ? ? 1_555 A CGU 33 N ? ? A LEU 32 A CGU 33 1_555 ? ? ? ? ? ? ? 1.309 ? covale19 covale ? ? A CGU 33 C ? ? ? 1_555 A SER 34 N ? ? A CGU 33 A SER 34 1_555 ? ? ? ? ? ? ? 1.323 ? metalc1 metalc ? ? C SR . SR ? ? ? 1_555 A CGU 26 OE12 ? ? A SR 171 A CGU 26 1_555 ? ? ? ? ? ? ? 2.655 ? metalc2 metalc ? ? C SR . SR ? ? ? 1_555 A CGU 26 OE21 ? ? A SR 171 A CGU 26 1_555 ? ? ? ? ? ? ? 2.667 ? metalc3 metalc ? ? C SR . SR ? ? ? 1_555 A CGU 30 OE11 ? ? A SR 171 A CGU 30 1_555 ? ? ? ? ? ? ? 2.212 ? metalc4 metalc ? ? C SR . SR ? ? ? 1_555 A CGU 30 OE21 ? ? A SR 171 A CGU 30 1_555 ? ? ? ? ? ? ? 2.644 ? metalc5 metalc ? ? D SR . SR ? ? ? 1_555 A CGU 27 OE12 ? ? A SR 172 A CGU 27 1_555 ? ? ? ? ? ? ? 2.923 ? metalc6 metalc ? ? D SR . SR ? ? ? 1_555 A CGU 30 OE22 ? ? A SR 172 A CGU 30 1_555 ? ? ? ? ? ? ? 2.713 ? metalc7 metalc ? ? D SR . SR ? ? ? 1_555 A CGU 30 OE21 ? ? A SR 172 A CGU 30 1_555 ? ? ? ? ? ? ? 2.636 ? metalc8 metalc ? ? E SR . SR ? ? ? 1_555 A CGU 30 OE22 ? ? A SR 173 A CGU 30 1_555 ? ? ? ? ? ? ? 2.791 ? metalc9 metalc ? ? E SR . SR ? ? ? 1_555 A CGU 17 OE11 ? ? A SR 173 A CGU 17 1_555 ? ? ? ? ? ? ? 2.667 ? metalc10 metalc ? ? E SR . SR ? ? ? 1_555 A CGU 17 OE12 ? ? A SR 173 A CGU 17 1_555 ? ? ? ? ? ? ? 3.211 ? metalc11 metalc ? ? E SR . SR ? ? ? 1_555 A CGU 27 OE11 ? ? A SR 173 A CGU 27 1_555 ? ? ? ? ? ? ? 3.044 ? metalc12 metalc ? ? F SR . SR ? ? ? 1_555 A CGU 27 OE22 ? ? A SR 174 A CGU 27 1_555 ? ? ? ? ? ? ? 2.750 ? metalc13 metalc ? ? F SR . SR ? ? ? 1_555 A CGU 7 OE11 ? ? A SR 174 A CGU 7 1_555 ? ? ? ? ? ? ? 3.166 ? metalc14 metalc ? ? F SR . SR ? ? ? 1_555 A CGU 27 OE11 ? ? A SR 174 A CGU 27 1_555 ? ? ? ? ? ? ? 2.655 ? metalc15 metalc ? ? F SR . SR ? ? ? 1_555 A ALA 1 N ? ? A SR 174 A ALA 1 1_555 ? ? ? ? ? ? ? 3.124 ? metalc16 metalc ? ? F SR . SR ? ? ? 1_555 A CGU 17 OE21 ? ? A SR 174 A CGU 17 1_555 ? ? ? ? ? ? ? 2.234 ? metalc17 metalc ? ? F SR . SR ? ? ? 1_555 A CGU 17 OE11 ? ? A SR 174 A CGU 17 1_555 ? ? ? ? ? ? ? 3.307 ? metalc18 metalc ? ? F SR . SR ? ? ? 1_555 A ASN 2 OD1 ? ? A SR 174 A ASN 2 1_555 ? ? ? ? ? ? ? 2.967 ? metalc19 metalc ? ? G SR . SR ? ? ? 1_555 A CGU 7 OE11 ? ? A SR 175 A CGU 7 1_555 ? ? ? ? ? ? ? 2.651 ? metalc20 metalc ? ? G SR . SR ? ? ? 1_555 A ALA 1 N ? ? A SR 175 A ALA 1 1_555 ? ? ? ? ? ? ? 3.148 ? metalc21 metalc ? ? G SR . SR ? ? ? 1_555 A CGU 17 OE21 ? ? A SR 175 A CGU 17 1_555 ? ? ? ? ? ? ? 2.635 ? metalc22 metalc ? ? G SR . SR ? ? ? 1_555 A CGU 21 OE21 ? ? A SR 175 A CGU 21 1_555 ? ? ? ? ? ? ? 3.221 ? metalc23 metalc ? ? G SR . SR ? ? ? 1_555 A CGU 21 OE22 ? ? A SR 175 A CGU 21 1_555 ? ? ? ? ? ? ? 2.728 ? metalc24 metalc ? ? G SR . SR ? ? ? 1_555 A CGU 7 OE12 ? ? A SR 175 A CGU 7 1_555 ? ? ? ? ? ? ? 2.919 ? metalc25 metalc ? ? H SR . SR ? ? ? 1_555 A CGU 21 OE21 ? ? A SR 176 A CGU 21 1_555 ? ? ? ? ? ? ? 2.299 ? metalc26 metalc ? ? H SR . SR ? ? ? 1_555 A CGU 20 OE12 ? ? A SR 176 A CGU 20 1_555 ? ? ? ? ? ? ? 2.913 ? metalc27 metalc ? ? H SR . SR ? ? ? 1_555 A CGU 21 OE11 ? ? A SR 176 A CGU 21 1_555 ? ? ? ? ? ? ? 2.904 ? metalc28 metalc ? ? I SR . SR ? ? ? 1_555 A CGU 20 OE22 ? ? A SR 177 A CGU 20 1_555 ? ? ? ? ? ? ? 3.078 ? metalc29 metalc ? ? I SR . SR ? ? ? 1_555 A CGU 15 OE22 ? ? A SR 177 A CGU 15 1_555 ? ? ? ? ? ? ? 2.816 ? metalc30 metalc ? ? I SR . SR ? ? ? 1_555 A CGU 20 OE21 ? ? A SR 177 A CGU 20 1_555 ? ? ? ? ? ? ? 2.443 ? metalc31 metalc ? ? J SR . SR ? ? ? 1_555 A CGU 30 O ? ? A SR 178 A CGU 30 1_555 ? ? ? ? ? ? ? 3.059 ? metalc32 metalc ? ? J SR . SR ? ? ? 1_555 K HOH . O ? ? A SR 178 A HOH 199 1_555 ? ? ? ? ? ? ? 2.244 ? metalc33 metalc ? ? J SR . SR ? ? ? 1_555 A CGU 30 OE12 ? ? A SR 178 A CGU 30 1_555 ? ? ? ? ? ? ? 2.964 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ASN 53 A . ? ASN 53 A PRO 54 A ? PRO 54 A 1 -0.82 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 2.16 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details B1 ? 2 ? B2 ? 2 ? B3 ? 2 ? B4 ? 1 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense B1 1 2 ? anti-parallel B2 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id B1 1 SER A 79 ? THR A 81 ? SER A 79 THR A 81 B1 2 ILE A 85 ? CYS A 87 ? ILE A 85 CYS A 87 B2 1 GLN A 88 ? TRP A 90 ? GLN A 88 TRP A 90 B2 2 ARG A 111 ? ASN A 113 ? ARG A 111 ASN A 113 B2 3 CYS A 127 ? THR A 129 ? CYS A 127 THR A 129 B3 1 ARG A 136 ? GLU A 138 ? ARG A 136 GLU A 138 B4 1 VAL A 141 ? PRO A 142 ? VAL A 141 PRO A 142 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 161' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SR A 171' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SR A 172' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SR A 173' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SR A 174' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SR A 175' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SR A 176' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SR A 177' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SR A 178' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 ASN A 101 ? ASN A 101 . ? 1_555 ? 2 AC1 2 THR A 104 ? THR A 104 . ? 1_555 ? 3 AC2 2 CGU A 26 ? CGU A 26 . ? 1_555 ? 4 AC2 2 CGU A 30 ? CGU A 30 . ? 1_555 ? 5 AC3 4 CGU A 8 ? CGU A 8 . ? 1_555 ? 6 AC3 4 CGU A 15 ? CGU A 15 . ? 4_467 ? 7 AC3 4 CGU A 27 ? CGU A 27 . ? 1_555 ? 8 AC3 4 CGU A 30 ? CGU A 30 . ? 1_555 ? 9 AC4 3 CGU A 17 ? CGU A 17 . ? 1_555 ? 10 AC4 3 CGU A 27 ? CGU A 27 . ? 1_555 ? 11 AC4 3 CGU A 30 ? CGU A 30 . ? 1_555 ? 12 AC5 6 ALA A 1 ? ALA A 1 . ? 1_555 ? 13 AC5 6 ASN A 2 ? ASN A 2 . ? 1_555 ? 14 AC5 6 CGU A 7 ? CGU A 7 . ? 1_555 ? 15 AC5 6 CGU A 8 ? CGU A 8 . ? 1_555 ? 16 AC5 6 CGU A 17 ? CGU A 17 . ? 1_555 ? 17 AC5 6 CGU A 27 ? CGU A 27 . ? 1_555 ? 18 AC6 4 ALA A 1 ? ALA A 1 . ? 1_555 ? 19 AC6 4 CGU A 7 ? CGU A 7 . ? 1_555 ? 20 AC6 4 CGU A 17 ? CGU A 17 . ? 1_555 ? 21 AC6 4 CGU A 21 ? CGU A 21 . ? 1_555 ? 22 AC7 2 CGU A 20 ? CGU A 20 . ? 1_555 ? 23 AC7 2 CGU A 21 ? CGU A 21 . ? 1_555 ? 24 AC8 2 CGU A 15 ? CGU A 15 . ? 1_555 ? 25 AC8 2 CGU A 20 ? CGU A 20 . ? 1_555 ? 26 AC9 2 CGU A 30 ? CGU A 30 . ? 1_555 ? 27 AC9 2 HOH K . ? HOH A 199 . ? 1_555 ? # _database_PDB_matrix.entry_id 2SPT _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2SPT _atom_sites.fract_transf_matrix[1][1] 0.025195 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.018477 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.007624 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_sites_footnote.id _atom_sites_footnote.text 1 'CIS PROLINE - PRO 54' 2 'CIS PROLINE - PRO 95' # loop_ _atom_type.symbol C N O S SR # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? 3.016 34.088 129.005 1.00 45.42 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 2.379 33.083 128.156 1.00 45.59 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 0.898 32.926 128.497 1.00 45.87 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 0.122 32.350 127.663 1.00 46.83 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 3.225 31.817 128.273 1.00 45.43 ? 1 ALA A CB 1 ATOM 6 N N . ASN A 1 2 ? 0.443 33.444 129.628 1.00 45.25 ? 2 ASN A N 1 ATOM 7 C CA . ASN A 1 2 ? -0.972 33.341 130.029 1.00 44.75 ? 2 ASN A CA 1 ATOM 8 C C . ASN A 1 2 ? -1.346 31.911 130.409 1.00 44.75 ? 2 ASN A C 1 ATOM 9 O O . ASN A 1 2 ? -2.267 31.293 129.844 1.00 44.71 ? 2 ASN A O 1 ATOM 10 C CB . ASN A 1 2 ? -1.940 33.844 128.952 1.00 44.28 ? 2 ASN A CB 1 ATOM 11 C CG . ASN A 1 2 ? -1.902 35.344 128.811 1.00 43.98 ? 2 ASN A CG 1 ATOM 12 O OD1 . ASN A 1 2 ? -1.166 35.845 129.637 1.00 42.53 ? 2 ASN A OD1 1 ATOM 13 N ND2 . ASN A 1 2 ? -2.633 36.135 128.022 1.00 44.13 ? 2 ASN A ND2 1 ATOM 14 N N . LYS A 1 3 ? -0.615 31.406 131.375 1.00 44.88 ? 3 LYS A N 1 ATOM 15 C CA . LYS A 1 3 ? -0.921 30.039 131.836 1.00 45.42 ? 3 LYS A CA 1 ATOM 16 C C . LYS A 1 3 ? -2.046 30.179 132.892 1.00 45.80 ? 3 LYS A C 1 ATOM 17 O O . LYS A 1 3 ? -2.142 29.374 133.827 1.00 46.04 ? 3 LYS A O 1 ATOM 18 C CB . LYS A 1 3 ? 0.321 29.362 132.362 1.00 45.45 ? 3 LYS A CB 1 ATOM 19 C CG . LYS A 1 3 ? 0.141 27.877 132.642 0.01 45.22 ? 3 LYS A CG 1 ATOM 20 C CD . LYS A 1 3 ? 1.462 27.193 132.980 0.01 45.11 ? 3 LYS A CD 1 ATOM 21 C CE . LYS A 1 3 ? 1.327 25.690 133.182 0.01 45.01 ? 3 LYS A CE 1 ATOM 22 N NZ . LYS A 1 3 ? 2.615 25.040 133.448 0.01 44.95 ? 3 LYS A NZ 1 ATOM 23 N N . GLY A 1 4 ? -2.825 31.248 132.625 1.00 46.01 ? 4 GLY A N 1 ATOM 24 C CA . GLY A 1 4 ? -4.041 31.699 133.376 1.00 45.94 ? 4 GLY A CA 1 ATOM 25 C C . GLY A 1 4 ? -3.778 32.080 134.852 1.00 46.16 ? 4 GLY A C 1 ATOM 26 O O . GLY A 1 4 ? -2.669 32.058 135.359 1.00 46.63 ? 4 GLY A O 1 ATOM 27 N N . PHE A 1 5 ? -4.835 32.502 135.506 1.00 45.73 ? 5 PHE A N 1 ATOM 28 C CA . PHE A 1 5 ? -4.827 32.751 136.960 1.00 45.25 ? 5 PHE A CA 1 ATOM 29 C C . PHE A 1 5 ? -3.969 33.922 137.505 1.00 44.65 ? 5 PHE A C 1 ATOM 30 O O . PHE A 1 5 ? -2.784 33.751 137.827 1.00 45.10 ? 5 PHE A O 1 ATOM 31 C CB . PHE A 1 5 ? -4.272 31.497 137.618 1.00 46.13 ? 5 PHE A CB 1 ATOM 32 C CG . PHE A 1 5 ? -4.621 31.365 139.084 1.00 47.07 ? 5 PHE A CG 1 ATOM 33 C CD1 . PHE A 1 5 ? -5.831 30.778 139.458 1.00 47.21 ? 5 PHE A CD1 1 ATOM 34 C CD2 . PHE A 1 5 ? -3.728 31.828 140.052 1.00 47.20 ? 5 PHE A CD2 1 ATOM 35 C CE1 . PHE A 1 5 ? -6.150 30.650 140.813 1.00 47.17 ? 5 PHE A CE1 1 ATOM 36 C CE2 . PHE A 1 5 ? -4.045 31.701 141.406 1.00 47.43 ? 5 PHE A CE2 1 ATOM 37 C CZ . PHE A 1 5 ? -5.256 31.112 141.788 1.00 47.58 ? 5 PHE A CZ 1 ATOM 38 N N . LEU A 1 6 ? -4.613 35.069 137.619 1.00 43.82 ? 6 LEU A N 1 ATOM 39 C CA . LEU A 1 6 ? -4.011 36.292 138.201 1.00 43.01 ? 6 LEU A CA 1 ATOM 40 C C . LEU A 1 6 ? -2.529 36.504 137.862 1.00 43.04 ? 6 LEU A C 1 ATOM 41 O O . LEU A 1 6 ? -1.779 37.090 138.657 1.00 43.33 ? 6 LEU A O 1 ATOM 42 C CB . LEU A 1 6 ? -3.987 36.227 139.743 1.00 42.00 ? 6 LEU A CB 1 ATOM 43 C CG . LEU A 1 6 ? -5.311 35.875 140.417 1.00 41.24 ? 6 LEU A CG 1 ATOM 44 C CD1 . LEU A 1 6 ? -5.747 34.426 140.192 1.00 40.85 ? 6 LEU A CD1 1 ATOM 45 C CD2 . LEU A 1 6 ? -5.250 36.056 141.939 1.00 40.63 ? 6 LEU A CD2 1 HETATM 46 N N . CGU A 1 7 ? -2.081 36.041 136.707 1.00 42.77 ? 7 CGU A N 1 HETATM 47 C CA . CGU A 1 7 ? -0.659 36.214 136.343 1.00 42.52 ? 7 CGU A CA 1 HETATM 48 C C . CGU A 1 7 ? -0.540 37.592 135.669 1.00 43.15 ? 7 CGU A C 1 HETATM 49 O O . CGU A 1 7 ? 0.556 38.176 135.685 1.00 42.81 ? 7 CGU A O 1 HETATM 50 C CB . CGU A 1 7 ? -0.177 34.966 135.569 1.00 42.00 ? 7 CGU A CB 1 HETATM 51 C CG . CGU A 1 7 ? -0.457 34.947 134.062 1.00 41.76 ? 7 CGU A CG 1 HETATM 52 C CD1 . CGU A 1 7 ? 0.762 34.446 133.286 1.00 41.15 ? 7 CGU A CD1 1 HETATM 53 C CD2 . CGU A 1 7 ? -1.671 34.107 133.716 1.00 42.47 ? 7 CGU A CD2 1 HETATM 54 O OE11 . CGU A 1 7 ? 1.733 35.182 133.064 1.00 41.09 ? 7 CGU A OE11 1 HETATM 55 O OE12 . CGU A 1 7 ? 0.674 33.227 132.902 1.00 39.21 ? 7 CGU A OE12 1 HETATM 56 O OE21 . CGU A 1 7 ? -2.175 33.478 134.786 1.00 42.48 ? 7 CGU A OE21 1 HETATM 57 O OE22 . CGU A 1 7 ? -2.133 34.007 132.625 1.00 42.41 ? 7 CGU A OE22 1 HETATM 58 N N . CGU A 1 8 ? -1.673 38.054 135.122 1.00 43.77 ? 8 CGU A N 1 HETATM 59 C CA . CGU A 1 8 ? -1.739 39.374 134.447 1.00 44.50 ? 8 CGU A CA 1 HETATM 60 C C . CGU A 1 8 ? -1.931 40.520 135.454 1.00 44.24 ? 8 CGU A C 1 HETATM 61 O O . CGU A 1 8 ? -2.225 41.648 135.030 1.00 45.12 ? 8 CGU A O 1 HETATM 62 C CB . CGU A 1 8 ? -2.989 39.630 133.616 1.00 44.05 ? 8 CGU A CB 1 HETATM 63 C CG . CGU A 1 8 ? -3.448 38.791 132.430 1.00 45.74 ? 8 CGU A CG 1 HETATM 64 C CD1 . CGU A 1 8 ? -2.368 38.168 131.564 1.00 46.05 ? 8 CGU A CD1 1 HETATM 65 C CD2 . CGU A 1 8 ? -4.649 37.959 132.815 1.00 47.00 ? 8 CGU A CD2 1 HETATM 66 O OE11 . CGU A 1 8 ? -1.172 38.222 131.875 1.00 45.19 ? 8 CGU A OE11 1 HETATM 67 O OE12 . CGU A 1 8 ? -2.843 37.640 130.498 1.00 46.36 ? 8 CGU A OE12 1 HETATM 68 O OE21 . CGU A 1 8 ? -4.410 37.056 133.772 1.00 47.32 ? 8 CGU A OE21 1 HETATM 69 O OE22 . CGU A 1 8 ? -5.711 38.103 132.325 1.00 47.73 ? 8 CGU A OE22 1 ATOM 70 N N . VAL A 1 9 ? -1.811 40.237 136.721 1.00 43.41 ? 9 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -1.955 41.272 137.769 1.00 41.99 ? 9 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -0.519 41.683 138.130 1.00 41.19 ? 9 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -0.370 42.475 139.099 1.00 40.83 ? 9 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -2.798 40.653 138.887 1.00 42.15 ? 9 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -2.893 41.529 140.135 1.00 41.83 ? 9 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -4.244 40.386 138.453 1.00 42.33 ? 9 VAL A CG2 1 ATOM 77 N N . ARG A 1 10 ? 0.477 41.148 137.372 1.00 39.87 ? 10 ARG A N 1 ATOM 78 C CA . ARG A 1 10 ? 1.854 41.536 137.743 1.00 39.11 ? 10 ARG A CA 1 ATOM 79 C C . ARG A 1 10 ? 2.641 42.201 136.628 1.00 38.29 ? 10 ARG A C 1 ATOM 80 O O . ARG A 1 10 ? 2.162 42.183 135.515 1.00 38.42 ? 10 ARG A O 1 ATOM 81 C CB . ARG A 1 10 ? 2.755 40.529 138.436 1.00 39.74 ? 10 ARG A CB 1 ATOM 82 C CG . ARG A 1 10 ? 2.477 39.083 138.131 1.00 40.07 ? 10 ARG A CG 1 ATOM 83 C CD . ARG A 1 10 ? 3.649 38.227 138.230 1.00 39.85 ? 10 ARG A CD 1 ATOM 84 N NE . ARG A 1 10 ? 4.685 38.350 139.211 1.00 39.14 ? 10 ARG A NE 1 ATOM 85 C CZ . ARG A 1 10 ? 5.597 37.353 139.303 1.00 39.31 ? 10 ARG A CZ 1 ATOM 86 N NH1 . ARG A 1 10 ? 5.580 36.247 138.553 1.00 39.78 ? 10 ARG A NH1 1 ATOM 87 N NH2 . ARG A 1 10 ? 6.651 37.486 140.099 1.00 39.44 ? 10 ARG A NH2 1 ATOM 88 N N . LYS A 1 11 ? 3.764 42.812 136.996 1.00 37.70 ? 11 LYS A N 1 ATOM 89 C CA . LYS A 1 11 ? 4.585 43.607 136.049 1.00 36.68 ? 11 LYS A CA 1 ATOM 90 C C . LYS A 1 11 ? 5.084 42.736 134.885 1.00 36.24 ? 11 LYS A C 1 ATOM 91 O O . LYS A 1 11 ? 5.439 41.539 135.007 1.00 35.77 ? 11 LYS A O 1 ATOM 92 C CB . LYS A 1 11 ? 5.706 44.410 136.676 1.00 36.06 ? 11 LYS A CB 1 ATOM 93 C CG . LYS A 1 11 ? 6.559 45.284 135.753 0.01 36.22 ? 11 LYS A CG 1 ATOM 94 C CD . LYS A 1 11 ? 7.664 45.963 136.559 0.01 36.17 ? 11 LYS A CD 1 ATOM 95 C CE . LYS A 1 11 ? 8.508 46.901 135.721 0.01 36.18 ? 11 LYS A CE 1 ATOM 96 N NZ . LYS A 1 11 ? 9.559 47.543 136.557 0.01 36.17 ? 11 LYS A NZ 1 ATOM 97 N N . GLY A 1 12 ? 5.013 43.433 133.743 1.00 35.25 ? 12 GLY A N 1 ATOM 98 C CA . GLY A 1 12 ? 5.377 42.866 132.432 1.00 33.72 ? 12 GLY A CA 1 ATOM 99 C C . GLY A 1 12 ? 6.866 42.529 132.514 1.00 32.58 ? 12 GLY A C 1 ATOM 100 O O . GLY A 1 12 ? 7.591 43.305 133.154 1.00 32.15 ? 12 GLY A O 1 ATOM 101 N N . ASN A 1 13 ? 7.229 41.445 131.864 1.00 31.81 ? 13 ASN A N 1 ATOM 102 C CA . ASN A 1 13 ? 8.662 41.094 131.966 1.00 31.50 ? 13 ASN A CA 1 ATOM 103 C C . ASN A 1 13 ? 9.060 40.254 130.758 1.00 31.49 ? 13 ASN A C 1 ATOM 104 O O . ASN A 1 13 ? 8.451 39.164 130.671 1.00 31.26 ? 13 ASN A O 1 ATOM 105 C CB . ASN A 1 13 ? 8.836 40.330 133.258 1.00 31.03 ? 13 ASN A CB 1 ATOM 106 C CG . ASN A 1 13 ? 10.286 39.988 133.523 1.00 31.13 ? 13 ASN A CG 1 ATOM 107 O OD1 . ASN A 1 13 ? 10.799 38.976 133.009 1.00 31.04 ? 13 ASN A OD1 1 ATOM 108 N ND2 . ASN A 1 13 ? 10.857 40.838 134.382 1.00 30.79 ? 13 ASN A ND2 1 ATOM 109 N N . LEU A 1 14 ? 10.043 40.806 130.050 1.00 31.09 ? 14 LEU A N 1 ATOM 110 C CA . LEU A 1 14 ? 10.474 40.113 128.821 1.00 30.61 ? 14 LEU A CA 1 ATOM 111 C C . LEU A 1 14 ? 11.133 38.759 129.002 1.00 30.55 ? 14 LEU A C 1 ATOM 112 O O . LEU A 1 14 ? 10.707 37.813 128.285 1.00 30.06 ? 14 LEU A O 1 ATOM 113 C CB . LEU A 1 14 ? 11.211 41.130 127.934 1.00 30.01 ? 14 LEU A CB 1 ATOM 114 C CG . LEU A 1 14 ? 10.785 40.835 126.479 1.00 29.62 ? 14 LEU A CG 1 ATOM 115 C CD1 . LEU A 1 14 ? 9.380 41.359 126.266 1.00 29.77 ? 14 LEU A CD1 1 ATOM 116 C CD2 . LEU A 1 14 ? 11.865 41.372 125.561 1.00 29.74 ? 14 LEU A CD2 1 HETATM 117 N N . CGU A 1 15 ? 12.124 38.626 129.842 1.00 30.79 ? 15 CGU A N 1 HETATM 118 C CA . CGU A 1 15 ? 12.746 37.314 130.125 1.00 31.99 ? 15 CGU A CA 1 HETATM 119 C C . CGU A 1 15 ? 11.710 36.188 130.178 1.00 31.67 ? 15 CGU A C 1 HETATM 120 O O . CGU A 1 15 ? 11.497 35.354 129.310 1.00 31.63 ? 15 CGU A O 1 HETATM 121 C CB . CGU A 1 15 ? 13.383 37.489 131.523 1.00 34.17 ? 15 CGU A CB 1 HETATM 122 C CG . CGU A 1 15 ? 14.912 37.438 131.570 1.00 35.10 ? 15 CGU A CG 1 HETATM 123 C CD1 . CGU A 1 15 ? 15.486 38.741 131.072 1.00 36.72 ? 15 CGU A CD1 1 HETATM 124 C CD2 . CGU A 1 15 ? 15.144 36.097 130.850 1.00 33.76 ? 15 CGU A CD2 1 HETATM 125 O OE11 . CGU A 1 15 ? 14.915 39.828 131.264 1.00 37.70 ? 15 CGU A OE11 1 HETATM 126 O OE12 . CGU A 1 15 ? 16.586 38.646 130.444 1.00 38.24 ? 15 CGU A OE12 1 HETATM 127 O OE21 . CGU A 1 15 ? 15.629 35.791 129.795 1.00 32.65 ? 15 CGU A OE21 1 HETATM 128 O OE22 . CGU A 1 15 ? 14.610 35.264 131.613 1.00 33.65 ? 15 CGU A OE22 1 ATOM 129 N N . ARG A 1 16 ? 11.003 36.237 131.281 1.00 31.71 ? 16 ARG A N 1 ATOM 130 C CA . ARG A 1 16 ? 9.907 35.484 131.810 1.00 31.60 ? 16 ARG A CA 1 ATOM 131 C C . ARG A 1 16 ? 8.757 35.284 130.830 1.00 32.16 ? 16 ARG A C 1 ATOM 132 O O . ARG A 1 16 ? 8.431 34.112 130.611 1.00 32.28 ? 16 ARG A O 1 ATOM 133 C CB . ARG A 1 16 ? 9.303 36.183 133.043 1.00 30.47 ? 16 ARG A CB 1 ATOM 134 C CG . ARG A 1 16 ? 8.509 35.249 133.941 1.00 30.22 ? 16 ARG A CG 1 ATOM 135 C CD . ARG A 1 16 ? 7.271 35.793 134.546 1.00 29.41 ? 16 ARG A CD 1 ATOM 136 N NE . ARG A 1 16 ? 7.314 37.094 135.154 1.00 28.69 ? 16 ARG A NE 1 ATOM 137 C CZ . ARG A 1 16 ? 6.373 38.024 135.282 1.00 27.64 ? 16 ARG A CZ 1 ATOM 138 N NH1 . ARG A 1 16 ? 5.170 37.962 134.730 1.00 27.21 ? 16 ARG A NH1 1 ATOM 139 N NH2 . ARG A 1 16 ? 6.647 39.139 135.954 1.00 27.81 ? 16 ARG A NH2 1 HETATM 140 N N . CGU A 1 17 ? 8.156 36.150 130.096 1.00 32.70 ? 17 CGU A N 1 HETATM 141 C CA . CGU A 1 17 ? 6.947 36.144 129.280 1.00 33.60 ? 17 CGU A CA 1 HETATM 142 C C . CGU A 1 17 ? 7.100 35.787 127.816 1.00 33.84 ? 17 CGU A C 1 HETATM 143 O O . CGU A 1 17 ? 6.078 35.363 127.192 1.00 33.68 ? 17 CGU A O 1 HETATM 144 C CB . CGU A 1 17 ? 6.316 37.514 129.611 1.00 36.01 ? 17 CGU A CB 1 HETATM 145 C CG . CGU A 1 17 ? 4.826 37.658 129.894 1.00 38.62 ? 17 CGU A CG 1 HETATM 146 C CD1 . CGU A 1 17 ? 4.342 38.929 130.574 1.00 39.42 ? 17 CGU A CD1 1 HETATM 147 C CD2 . CGU A 1 17 ? 4.361 36.481 130.775 1.00 39.57 ? 17 CGU A CD2 1 HETATM 148 O OE11 . CGU A 1 17 ? 3.567 38.955 131.540 1.00 40.06 ? 17 CGU A OE11 1 HETATM 149 O OE12 . CGU A 1 17 ? 4.772 40.058 130.242 1.00 39.77 ? 17 CGU A OE12 1 HETATM 150 O OE21 . CGU A 1 17 ? 3.598 35.569 130.506 1.00 39.80 ? 17 CGU A OE21 1 HETATM 151 O OE22 . CGU A 1 17 ? 4.754 36.696 131.947 1.00 40.72 ? 17 CGU A OE22 1 ATOM 152 N N . CYS A 1 18 ? 8.374 36.158 127.342 1.00 33.49 ? 18 CYS A N 1 ATOM 153 C CA . CYS A 1 18 ? 8.678 35.979 125.926 1.00 32.94 ? 18 CYS A CA 1 ATOM 154 C C . CYS A 1 18 ? 9.926 35.210 125.573 1.00 33.26 ? 18 CYS A C 1 ATOM 155 O O . CYS A 1 18 ? 10.037 34.631 124.470 1.00 33.87 ? 18 CYS A O 1 ATOM 156 C CB . CYS A 1 18 ? 8.794 37.381 125.272 1.00 32.12 ? 18 CYS A CB 1 ATOM 157 S SG . CYS A 1 18 ? 7.270 38.388 125.327 1.00 30.58 ? 18 CYS A SG 1 ATOM 158 N N . LEU A 1 19 ? 10.969 35.296 126.346 1.00 34.04 ? 19 LEU A N 1 ATOM 159 C CA . LEU A 1 19 ? 12.261 34.628 126.145 1.00 34.31 ? 19 LEU A CA 1 ATOM 160 C C . LEU A 1 19 ? 12.151 33.251 126.817 1.00 34.54 ? 19 LEU A C 1 ATOM 161 O O . LEU A 1 19 ? 12.725 32.240 126.387 1.00 34.70 ? 19 LEU A O 1 ATOM 162 C CB . LEU A 1 19 ? 13.370 35.488 126.750 1.00 34.74 ? 19 LEU A CB 1 ATOM 163 C CG . LEU A 1 19 ? 13.856 36.712 125.996 1.00 35.31 ? 19 LEU A CG 1 ATOM 164 C CD1 . LEU A 1 19 ? 14.244 37.860 126.941 1.00 35.01 ? 19 LEU A CD1 1 ATOM 165 C CD2 . LEU A 1 19 ? 15.120 36.263 125.207 1.00 35.24 ? 19 LEU A CD2 1 HETATM 166 N N . CGU A 1 20 ? 11.384 33.264 127.892 1.00 34.46 ? 20 CGU A N 1 HETATM 167 C CA . CGU A 1 20 ? 11.182 32.069 128.712 1.00 34.74 ? 20 CGU A CA 1 HETATM 168 C C . CGU A 1 20 ? 9.948 31.281 128.304 1.00 34.84 ? 20 CGU A C 1 HETATM 169 O O . CGU A 1 20 ? 9.807 30.095 128.623 1.00 34.78 ? 20 CGU A O 1 HETATM 170 C CB . CGU A 1 20 ? 11.179 32.596 130.135 1.00 34.93 ? 20 CGU A CB 1 HETATM 171 C CG . CGU A 1 20 ? 11.438 31.595 131.253 1.00 35.18 ? 20 CGU A CG 1 HETATM 172 C CD1 . CGU A 1 20 ? 10.574 32.015 132.440 1.00 36.08 ? 20 CGU A CD1 1 HETATM 173 C CD2 . CGU A 1 20 ? 12.924 31.732 131.549 1.00 34.67 ? 20 CGU A CD2 1 HETATM 174 O OE11 . CGU A 1 20 ? 11.013 32.526 133.473 1.00 35.67 ? 20 CGU A OE11 1 HETATM 175 O OE12 . CGU A 1 20 ? 9.305 31.926 132.293 1.00 36.60 ? 20 CGU A OE12 1 HETATM 176 O OE21 . CGU A 1 20 ? 13.249 32.598 132.369 1.00 34.55 ? 20 CGU A OE21 1 HETATM 177 O OE22 . CGU A 1 20 ? 13.774 31.096 130.910 1.00 33.80 ? 20 CGU A OE22 1 HETATM 178 N N . CGU A 1 21 ? 9.048 31.936 127.613 1.00 34.92 ? 21 CGU A N 1 HETATM 179 C CA . CGU A 1 21 ? 7.801 31.337 127.130 1.00 35.08 ? 21 CGU A CA 1 HETATM 180 C C . CGU A 1 21 ? 7.552 32.013 125.790 1.00 34.86 ? 21 CGU A C 1 HETATM 181 O O . CGU A 1 21 ? 8.122 33.080 125.555 1.00 35.59 ? 21 CGU A O 1 HETATM 182 C CB . CGU A 1 21 ? 6.634 31.620 128.082 1.00 36.33 ? 21 CGU A CB 1 HETATM 183 C CG . CGU A 1 21 ? 6.856 31.197 129.521 1.00 37.35 ? 21 CGU A CG 1 HETATM 184 C CD1 . CGU A 1 21 ? 6.437 29.733 129.639 1.00 37.67 ? 21 CGU A CD1 1 HETATM 185 C CD2 . CGU A 1 21 ? 6.123 31.975 130.589 1.00 37.65 ? 21 CGU A CD2 1 HETATM 186 O OE11 . CGU A 1 21 ? 7.002 29.029 130.447 1.00 37.89 ? 21 CGU A OE11 1 HETATM 187 O OE12 . CGU A 1 21 ? 5.473 29.482 128.876 1.00 38.10 ? 21 CGU A OE12 1 HETATM 188 O OE21 . CGU A 1 21 ? 6.084 31.597 131.763 1.00 39.27 ? 21 CGU A OE21 1 HETATM 189 O OE22 . CGU A 1 21 ? 5.457 32.961 130.259 1.00 37.74 ? 21 CGU A OE22 1 ATOM 190 N N . PRO A 1 22 ? 6.697 31.389 125.028 1.00 34.65 ? 22 PRO A N 1 ATOM 191 C CA . PRO A 1 22 ? 6.349 31.963 123.714 1.00 33.86 ? 22 PRO A CA 1 ATOM 192 C C . PRO A 1 22 ? 5.466 33.140 124.133 1.00 33.61 ? 22 PRO A C 1 ATOM 193 O O . PRO A 1 22 ? 4.952 33.009 125.268 1.00 33.38 ? 22 PRO A O 1 ATOM 194 C CB . PRO A 1 22 ? 5.539 30.869 123.082 1.00 34.33 ? 22 PRO A CB 1 ATOM 195 C CG . PRO A 1 22 ? 5.317 29.768 124.089 1.00 34.42 ? 22 PRO A CG 1 ATOM 196 C CD . PRO A 1 22 ? 6.049 30.102 125.359 1.00 34.56 ? 22 PRO A CD 1 ATOM 197 N N . CYS A 1 23 ? 5.280 34.181 123.343 1.00 33.24 ? 23 CYS A N 1 ATOM 198 C CA . CYS A 1 23 ? 4.405 35.283 123.802 1.00 32.60 ? 23 CYS A CA 1 ATOM 199 C C . CYS A 1 23 ? 3.664 35.891 122.610 1.00 32.67 ? 23 CYS A C 1 ATOM 200 O O . CYS A 1 23 ? 4.033 35.694 121.450 1.00 32.26 ? 23 CYS A O 1 ATOM 201 C CB . CYS A 1 23 ? 5.172 36.296 124.629 1.00 31.95 ? 23 CYS A CB 1 ATOM 202 S SG . CYS A 1 23 ? 6.231 37.518 123.778 1.00 31.76 ? 23 CYS A SG 1 ATOM 203 N N . SER A 1 24 ? 2.572 36.551 122.951 1.00 32.81 ? 24 SER A N 1 ATOM 204 C CA . SER A 1 24 ? 1.692 37.305 122.055 1.00 32.73 ? 24 SER A CA 1 ATOM 205 C C . SER A 1 24 ? 2.390 38.678 121.985 1.00 32.37 ? 24 SER A C 1 ATOM 206 O O . SER A 1 24 ? 3.187 38.975 122.864 1.00 32.14 ? 24 SER A O 1 ATOM 207 C CB . SER A 1 24 ? 0.251 37.522 122.446 1.00 32.56 ? 24 SER A CB 1 ATOM 208 O OG . SER A 1 24 ? -0.012 38.317 123.588 1.00 33.66 ? 24 SER A OG 1 ATOM 209 N N . ARG A 1 25 ? 2.075 39.384 120.952 1.00 32.86 ? 25 ARG A N 1 ATOM 210 C CA . ARG A 1 25 ? 2.628 40.735 120.680 1.00 33.12 ? 25 ARG A CA 1 ATOM 211 C C . ARG A 1 25 ? 2.194 41.708 121.780 1.00 32.94 ? 25 ARG A C 1 ATOM 212 O O . ARG A 1 25 ? 2.839 42.730 122.069 1.00 32.10 ? 25 ARG A O 1 ATOM 213 C CB . ARG A 1 25 ? 2.191 41.061 119.251 1.00 33.56 ? 25 ARG A CB 1 ATOM 214 C CG . ARG A 1 25 ? 2.960 42.056 118.418 1.00 34.99 ? 25 ARG A CG 1 ATOM 215 C CD . ARG A 1 25 ? 2.371 43.432 118.510 1.00 35.75 ? 25 ARG A CD 1 ATOM 216 N NE . ARG A 1 25 ? 2.920 44.346 117.518 1.00 36.13 ? 25 ARG A NE 1 ATOM 217 C CZ . ARG A 1 25 ? 3.090 45.664 117.667 1.00 36.17 ? 25 ARG A CZ 1 ATOM 218 N NH1 . ARG A 1 25 ? 2.867 46.338 118.795 1.00 35.54 ? 25 ARG A NH1 1 ATOM 219 N NH2 . ARG A 1 25 ? 3.570 46.336 116.615 1.00 36.39 ? 25 ARG A NH2 1 HETATM 220 N N . CGU A 1 26 ? 1.077 41.360 122.410 1.00 33.07 ? 26 CGU A N 1 HETATM 221 C CA . CGU A 1 26 ? 0.418 42.066 123.510 1.00 33.33 ? 26 CGU A CA 1 HETATM 222 C C . CGU A 1 26 ? 1.123 41.802 124.851 1.00 33.05 ? 26 CGU A C 1 HETATM 223 O O . CGU A 1 26 ? 1.114 42.569 125.834 1.00 32.06 ? 26 CGU A O 1 HETATM 224 C CB . CGU A 1 26 ? -1.051 41.671 123.492 1.00 34.88 ? 26 CGU A CB 1 HETATM 225 C CG . CGU A 1 26 ? -2.041 42.827 123.562 1.00 36.77 ? 26 CGU A CG 1 HETATM 226 C CD1 . CGU A 1 26 ? -1.411 44.075 124.108 1.00 37.16 ? 26 CGU A CD1 1 HETATM 227 C CD2 . CGU A 1 26 ? -3.184 42.394 124.496 1.00 37.57 ? 26 CGU A CD2 1 HETATM 228 O OE11 . CGU A 1 26 ? -1.003 44.986 123.442 1.00 37.77 ? 26 CGU A OE11 1 HETATM 229 O OE12 . CGU A 1 26 ? -1.313 43.879 125.347 1.00 37.49 ? 26 CGU A OE12 1 HETATM 230 O OE21 . CGU A 1 26 ? -3.670 43.085 125.382 1.00 36.93 ? 26 CGU A OE21 1 HETATM 231 O OE22 . CGU A 1 26 ? -3.484 41.204 124.189 1.00 39.16 ? 26 CGU A OE22 1 HETATM 232 N N . CGU A 1 27 ? 1.789 40.648 124.837 1.00 32.73 ? 27 CGU A N 1 HETATM 233 C CA . CGU A 1 27 ? 2.598 40.311 126.001 1.00 32.93 ? 27 CGU A CA 1 HETATM 234 C C . CGU A 1 27 ? 3.879 41.120 125.864 1.00 33.07 ? 27 CGU A C 1 HETATM 235 O O . CGU A 1 27 ? 4.204 41.781 126.866 1.00 32.93 ? 27 CGU A O 1 HETATM 236 C CB . CGU A 1 27 ? 2.655 38.821 126.125 1.00 33.70 ? 27 CGU A CB 1 HETATM 237 C CG . CGU A 1 27 ? 1.307 38.127 126.310 1.00 35.11 ? 27 CGU A CG 1 HETATM 238 C CD1 . CGU A 1 27 ? 0.535 38.559 127.526 1.00 36.30 ? 27 CGU A CD1 1 HETATM 239 C CD2 . CGU A 1 27 ? 1.657 36.632 126.387 1.00 34.54 ? 27 CGU A CD2 1 HETATM 240 O OE11 . CGU A 1 27 ? 0.950 38.655 128.696 1.00 37.78 ? 27 CGU A OE11 1 HETATM 241 O OE12 . CGU A 1 27 ? -0.684 38.798 127.291 1.00 37.59 ? 27 CGU A OE12 1 HETATM 242 O OE21 . CGU A 1 27 ? 1.560 35.787 125.535 1.00 33.76 ? 27 CGU A OE21 1 HETATM 243 O OE22 . CGU A 1 27 ? 2.135 36.473 127.537 1.00 35.89 ? 27 CGU A OE22 1 ATOM 244 N N . ALA A 1 28 ? 4.534 41.124 124.714 1.00 33.02 ? 28 ALA A N 1 ATOM 245 C CA . ALA A 1 28 ? 5.778 41.897 124.532 1.00 33.29 ? 28 ALA A CA 1 ATOM 246 C C . ALA A 1 28 ? 5.559 43.391 124.870 1.00 33.64 ? 28 ALA A C 1 ATOM 247 O O . ALA A 1 28 ? 6.280 44.089 125.617 1.00 33.59 ? 28 ALA A O 1 ATOM 248 C CB . ALA A 1 28 ? 6.338 41.829 123.113 1.00 32.55 ? 28 ALA A CB 1 ATOM 249 N N . PHE A 1 29 ? 4.464 43.811 124.269 1.00 33.63 ? 29 PHE A N 1 ATOM 250 C CA . PHE A 1 29 ? 3.933 45.153 124.300 1.00 33.86 ? 29 PHE A CA 1 ATOM 251 C C . PHE A 1 29 ? 3.708 45.722 125.694 1.00 33.33 ? 29 PHE A C 1 ATOM 252 O O . PHE A 1 29 ? 3.797 46.948 125.773 1.00 33.07 ? 29 PHE A O 1 ATOM 253 C CB . PHE A 1 29 ? 2.667 45.282 123.436 1.00 35.59 ? 29 PHE A CB 1 ATOM 254 C CG . PHE A 1 29 ? 2.319 46.756 123.410 1.00 37.07 ? 29 PHE A CG 1 ATOM 255 C CD1 . PHE A 1 29 ? 3.056 47.583 122.558 1.00 37.19 ? 29 PHE A CD1 1 ATOM 256 C CD2 . PHE A 1 29 ? 1.355 47.251 124.309 1.00 37.35 ? 29 PHE A CD2 1 ATOM 257 C CE1 . PHE A 1 29 ? 2.784 48.959 122.539 1.00 37.44 ? 29 PHE A CE1 1 ATOM 258 C CE2 . PHE A 1 29 ? 1.077 48.615 124.297 1.00 37.54 ? 29 PHE A CE2 1 ATOM 259 C CZ . PHE A 1 29 ? 1.805 49.449 123.431 1.00 37.54 ? 29 PHE A CZ 1 HETATM 260 N N . CGU A 1 30 ? 3.355 44.871 126.605 1.00 33.35 ? 30 CGU A N 1 HETATM 261 C CA . CGU A 1 30 ? 3.098 45.107 128.014 1.00 33.28 ? 30 CGU A CA 1 HETATM 262 C C . CGU A 1 30 ? 4.419 45.017 128.759 1.00 33.65 ? 30 CGU A C 1 HETATM 263 O O . CGU A 1 30 ? 4.658 45.696 129.756 1.00 34.13 ? 30 CGU A O 1 HETATM 264 C CB . CGU A 1 30 ? 2.072 44.106 128.532 1.00 33.48 ? 30 CGU A CB 1 HETATM 265 C CG . CGU A 1 30 ? 0.667 44.194 127.981 1.00 34.40 ? 30 CGU A CG 1 HETATM 266 C CD1 . CGU A 1 30 ? -0.109 45.312 128.677 1.00 34.03 ? 30 CGU A CD1 1 HETATM 267 C CD2 . CGU A 1 30 ? -0.221 42.978 128.202 1.00 34.95 ? 30 CGU A CD2 1 HETATM 268 O OE11 . CGU A 1 30 ? -1.237 45.594 128.352 1.00 34.21 ? 30 CGU A OE11 1 HETATM 269 O OE12 . CGU A 1 30 ? 0.544 45.782 129.621 1.00 33.47 ? 30 CGU A OE12 1 HETATM 270 O OE21 . CGU A 1 30 ? -1.424 43.029 127.979 1.00 36.38 ? 30 CGU A OE21 1 HETATM 271 O OE22 . CGU A 1 30 ? 0.259 42.018 128.820 1.00 36.96 ? 30 CGU A OE22 1 ATOM 272 N N . ALA A 1 31 ? 5.323 44.218 128.234 1.00 34.23 ? 31 ALA A N 1 ATOM 273 C CA . ALA A 1 31 ? 6.635 44.012 128.843 1.00 34.79 ? 31 ALA A CA 1 ATOM 274 C C . ALA A 1 31 ? 7.588 45.076 128.314 1.00 35.49 ? 31 ALA A C 1 ATOM 275 O O . ALA A 1 31 ? 8.457 45.456 129.133 1.00 35.81 ? 31 ALA A O 1 ATOM 276 C CB . ALA A 1 31 ? 7.186 42.604 128.680 1.00 34.55 ? 31 ALA A CB 1 ATOM 277 N N . LEU A 1 32 ? 7.372 45.511 127.077 1.00 36.20 ? 32 LEU A N 1 ATOM 278 C CA . LEU A 1 32 ? 8.274 46.519 126.502 1.00 36.79 ? 32 LEU A CA 1 ATOM 279 C C . LEU A 1 32 ? 7.936 47.979 126.678 1.00 37.19 ? 32 LEU A C 1 ATOM 280 O O . LEU A 1 32 ? 8.892 48.773 126.580 1.00 37.54 ? 32 LEU A O 1 ATOM 281 C CB . LEU A 1 32 ? 8.501 46.206 125.013 1.00 37.00 ? 32 LEU A CB 1 ATOM 282 C CG . LEU A 1 32 ? 9.774 45.399 124.761 1.00 36.80 ? 32 LEU A CG 1 ATOM 283 C CD1 . LEU A 1 32 ? 10.700 45.536 125.982 1.00 36.56 ? 32 LEU A CD1 1 ATOM 284 C CD2 . LEU A 1 32 ? 9.336 43.959 124.509 1.00 36.85 ? 32 LEU A CD2 1 HETATM 285 N N . CGU A 1 33 ? 6.699 48.385 126.817 1.00 37.94 ? 33 CGU A N 1 HETATM 286 C CA . CGU A 1 33 ? 6.400 49.836 126.987 1.00 38.69 ? 33 CGU A CA 1 HETATM 287 C C . CGU A 1 33 ? 6.282 50.495 125.609 1.00 39.06 ? 33 CGU A C 1 HETATM 288 O O . CGU A 1 33 ? 5.246 50.268 124.942 1.00 39.53 ? 33 CGU A O 1 ATOM 289 N N . SER A 1 34 ? 7.304 51.234 125.210 1.00 38.95 ? 34 SER A N 1 ATOM 290 C CA . SER A 1 34 ? 7.330 51.924 123.909 1.00 38.68 ? 34 SER A CA 1 ATOM 291 C C . SER A 1 34 ? 6.960 50.941 122.796 1.00 38.38 ? 34 SER A C 1 ATOM 292 O O . SER A 1 34 ? 7.370 49.770 122.920 1.00 38.14 ? 34 SER A O 1 ATOM 293 C CB . SER A 1 34 ? 8.652 52.546 123.505 1.00 39.15 ? 34 SER A CB 1 ATOM 294 O OG . SER A 1 34 ? 9.560 51.747 122.790 1.00 38.67 ? 34 SER A OG 1 ATOM 295 N N . LEU A 1 35 ? 6.297 51.504 121.801 1.00 38.03 ? 35 LEU A N 1 ATOM 296 C CA . LEU A 1 35 ? 5.866 50.649 120.682 1.00 38.28 ? 35 LEU A CA 1 ATOM 297 C C . LEU A 1 35 ? 6.931 50.480 119.601 1.00 37.77 ? 35 LEU A C 1 ATOM 298 O O . LEU A 1 35 ? 7.092 49.382 119.009 1.00 37.89 ? 35 LEU A O 1 ATOM 299 C CB . LEU A 1 35 ? 4.504 51.139 120.198 1.00 39.07 ? 35 LEU A CB 1 ATOM 300 C CG . LEU A 1 35 ? 4.294 50.938 118.698 1.00 40.22 ? 35 LEU A CG 1 ATOM 301 C CD1 . LEU A 1 35 ? 4.091 49.453 118.341 1.00 40.29 ? 35 LEU A CD1 1 ATOM 302 C CD2 . LEU A 1 35 ? 3.078 51.789 118.300 1.00 40.79 ? 35 LEU A CD2 1 ATOM 303 N N . SER A 1 36 ? 7.669 51.539 119.345 1.00 37.14 ? 36 SER A N 1 ATOM 304 C CA . SER A 1 36 ? 8.758 51.407 118.361 1.00 36.65 ? 36 SER A CA 1 ATOM 305 C C . SER A 1 36 ? 9.650 50.247 118.832 1.00 35.91 ? 36 SER A C 1 ATOM 306 O O . SER A 1 36 ? 10.257 49.501 118.062 1.00 35.95 ? 36 SER A O 1 ATOM 307 C CB . SER A 1 36 ? 9.576 52.686 118.275 1.00 37.34 ? 36 SER A CB 1 ATOM 308 O OG . SER A 1 36 ? 10.697 52.472 119.142 1.00 38.11 ? 36 SER A OG 1 ATOM 309 N N . ALA A 1 37 ? 9.765 50.099 120.128 1.00 35.24 ? 37 ALA A N 1 ATOM 310 C CA . ALA A 1 37 ? 10.558 49.084 120.800 1.00 34.82 ? 37 ALA A CA 1 ATOM 311 C C . ALA A 1 37 ? 9.957 47.690 120.598 1.00 34.88 ? 37 ALA A C 1 ATOM 312 O O . ALA A 1 37 ? 10.698 46.696 120.534 1.00 34.10 ? 37 ALA A O 1 ATOM 313 C CB . ALA A 1 37 ? 10.670 49.371 122.289 1.00 34.62 ? 37 ALA A CB 1 ATOM 314 N N . THR A 1 38 ? 8.632 47.701 120.558 1.00 35.14 ? 38 THR A N 1 ATOM 315 C CA . THR A 1 38 ? 7.761 46.523 120.359 1.00 34.72 ? 38 THR A CA 1 ATOM 316 C C . THR A 1 38 ? 7.760 46.175 118.867 1.00 34.39 ? 38 THR A C 1 ATOM 317 O O . THR A 1 38 ? 7.723 44.953 118.611 1.00 35.21 ? 38 THR A O 1 ATOM 318 C CB . THR A 1 38 ? 6.300 46.630 120.928 1.00 34.46 ? 38 THR A CB 1 ATOM 319 O OG1 . THR A 1 38 ? 6.429 46.782 122.371 1.00 35.15 ? 38 THR A OG1 1 ATOM 320 C CG2 . THR A 1 38 ? 5.334 45.464 120.735 1.00 34.02 ? 38 THR A CG2 1 ATOM 321 N N . ASP A 1 39 ? 7.895 47.108 117.964 1.00 33.71 ? 39 ASP A N 1 ATOM 322 C CA . ASP A 1 39 ? 7.988 46.728 116.541 1.00 33.80 ? 39 ASP A CA 1 ATOM 323 C C . ASP A 1 39 ? 9.335 46.034 116.234 1.00 33.26 ? 39 ASP A C 1 ATOM 324 O O . ASP A 1 39 ? 9.386 45.006 115.519 1.00 33.41 ? 39 ASP A O 1 ATOM 325 C CB . ASP A 1 39 ? 7.816 47.891 115.579 1.00 34.53 ? 39 ASP A CB 1 ATOM 326 C CG . ASP A 1 39 ? 6.429 48.501 115.588 1.00 35.24 ? 39 ASP A CG 1 ATOM 327 O OD1 . ASP A 1 39 ? 5.454 47.768 115.832 1.00 34.91 ? 39 ASP A OD1 1 ATOM 328 O OD2 . ASP A 1 39 ? 6.385 49.713 115.293 1.00 36.04 ? 39 ASP A OD2 1 ATOM 329 N N . ALA A 1 40 ? 10.399 46.655 116.704 1.00 32.38 ? 40 ALA A N 1 ATOM 330 C CA . ALA A 1 40 ? 11.736 46.092 116.495 1.00 32.10 ? 40 ALA A CA 1 ATOM 331 C C . ALA A 1 40 ? 11.774 44.651 117.043 1.00 32.03 ? 40 ALA A C 1 ATOM 332 O O . ALA A 1 40 ? 12.195 43.763 116.255 1.00 31.64 ? 40 ALA A O 1 ATOM 333 C CB . ALA A 1 40 ? 12.789 46.984 117.130 1.00 31.66 ? 40 ALA A CB 1 ATOM 334 N N . PHE A 1 41 ? 11.348 44.508 118.298 1.00 31.65 ? 41 PHE A N 1 ATOM 335 C CA . PHE A 1 41 ? 11.289 43.250 119.038 1.00 31.07 ? 41 PHE A CA 1 ATOM 336 C C . PHE A 1 41 ? 10.561 42.204 118.193 1.00 31.06 ? 41 PHE A C 1 ATOM 337 O O . PHE A 1 41 ? 11.267 41.308 117.709 1.00 31.05 ? 41 PHE A O 1 ATOM 338 C CB . PHE A 1 41 ? 10.643 43.237 120.418 1.00 31.43 ? 41 PHE A CB 1 ATOM 339 C CG . PHE A 1 41 ? 10.660 41.927 121.179 1.00 31.19 ? 41 PHE A CG 1 ATOM 340 C CD1 . PHE A 1 41 ? 11.851 41.466 121.759 1.00 31.02 ? 41 PHE A CD1 1 ATOM 341 C CD2 . PHE A 1 41 ? 9.507 41.152 121.298 1.00 30.70 ? 41 PHE A CD2 1 ATOM 342 C CE1 . PHE A 1 41 ? 11.877 40.242 122.410 1.00 31.33 ? 41 PHE A CE1 1 ATOM 343 C CE2 . PHE A 1 41 ? 9.496 39.920 121.945 1.00 30.48 ? 41 PHE A CE2 1 ATOM 344 C CZ . PHE A 1 41 ? 10.697 39.470 122.530 1.00 31.19 ? 41 PHE A CZ 1 ATOM 345 N N . TRP A 1 42 ? 9.257 42.376 118.140 1.00 30.78 ? 42 TRP A N 1 ATOM 346 C CA . TRP A 1 42 ? 8.448 41.452 117.336 1.00 30.74 ? 42 TRP A CA 1 ATOM 347 C C . TRP A 1 42 ? 9.229 40.963 116.111 1.00 30.80 ? 42 TRP A C 1 ATOM 348 O O . TRP A 1 42 ? 9.479 39.753 115.967 1.00 31.24 ? 42 TRP A O 1 ATOM 349 C CB . TRP A 1 42 ? 7.169 42.115 116.866 1.00 30.98 ? 42 TRP A CB 1 ATOM 350 C CG . TRP A 1 42 ? 6.128 41.075 116.613 1.00 31.29 ? 42 TRP A CG 1 ATOM 351 C CD1 . TRP A 1 42 ? 5.333 40.874 115.526 1.00 31.56 ? 42 TRP A CD1 1 ATOM 352 C CD2 . TRP A 1 42 ? 5.753 40.080 117.570 1.00 31.66 ? 42 TRP A CD2 1 ATOM 353 N NE1 . TRP A 1 42 ? 4.471 39.816 115.744 1.00 31.78 ? 42 TRP A NE1 1 ATOM 354 C CE2 . TRP A 1 42 ? 4.731 39.303 116.988 1.00 31.71 ? 42 TRP A CE2 1 ATOM 355 C CE3 . TRP A 1 42 ? 6.203 39.761 118.838 1.00 31.97 ? 42 TRP A CE3 1 ATOM 356 C CZ2 . TRP A 1 42 ? 4.135 38.236 117.650 1.00 31.28 ? 42 TRP A CZ2 1 ATOM 357 C CZ3 . TRP A 1 42 ? 5.626 38.699 119.484 1.00 31.29 ? 42 TRP A CZ3 1 ATOM 358 C CH2 . TRP A 1 42 ? 4.616 37.954 118.899 1.00 31.21 ? 42 TRP A CH2 1 ATOM 359 N N . ALA A 1 43 ? 9.616 41.889 115.246 1.00 30.77 ? 43 ALA A N 1 ATOM 360 C CA . ALA A 1 43 ? 10.377 41.572 114.030 1.00 29.97 ? 43 ALA A CA 1 ATOM 361 C C . ALA A 1 43 ? 11.498 40.601 114.332 1.00 29.96 ? 43 ALA A C 1 ATOM 362 O O . ALA A 1 43 ? 11.643 39.615 113.600 1.00 30.22 ? 43 ALA A O 1 ATOM 363 C CB . ALA A 1 43 ? 10.888 42.820 113.355 1.00 29.31 ? 43 ALA A CB 1 ATOM 364 N N . LYS A 1 44 ? 12.323 40.830 115.317 1.00 30.19 ? 44 LYS A N 1 ATOM 365 C CA . LYS A 1 44 ? 13.418 39.917 115.683 1.00 30.52 ? 44 LYS A CA 1 ATOM 366 C C . LYS A 1 44 ? 12.912 38.550 116.163 1.00 31.00 ? 44 LYS A C 1 ATOM 367 O O . LYS A 1 44 ? 13.498 37.524 115.850 1.00 30.42 ? 44 LYS A O 1 ATOM 368 C CB . LYS A 1 44 ? 14.208 40.547 116.836 1.00 30.41 ? 44 LYS A CB 1 ATOM 369 C CG . LYS A 1 44 ? 14.673 41.965 116.489 1.00 30.63 ? 44 LYS A CG 1 ATOM 370 C CD . LYS A 1 44 ? 15.546 42.439 117.659 1.00 30.63 ? 44 LYS A CD 1 ATOM 371 C CE . LYS A 1 44 ? 16.944 41.845 117.597 1.00 30.84 ? 44 LYS A CE 1 ATOM 372 N NZ . LYS A 1 44 ? 17.674 42.333 118.830 1.00 31.75 ? 44 LYS A NZ 1 ATOM 373 N N . TYR A 1 45 ? 11.852 38.540 116.936 1.00 31.69 ? 45 TYR A N 1 ATOM 374 C CA . TYR A 1 45 ? 11.104 37.459 117.538 1.00 32.51 ? 45 TYR A CA 1 ATOM 375 C C . TYR A 1 45 ? 10.535 36.471 116.513 1.00 33.48 ? 45 TYR A C 1 ATOM 376 O O . TYR A 1 45 ? 10.838 35.262 116.402 1.00 33.03 ? 45 TYR A O 1 ATOM 377 C CB . TYR A 1 45 ? 9.931 38.115 118.291 1.00 32.37 ? 45 TYR A CB 1 ATOM 378 C CG . TYR A 1 45 ? 9.343 37.135 119.264 1.00 32.94 ? 45 TYR A CG 1 ATOM 379 C CD1 . TYR A 1 45 ? 10.253 36.422 120.075 1.00 33.69 ? 45 TYR A CD1 1 ATOM 380 C CD2 . TYR A 1 45 ? 7.985 36.940 119.430 1.00 32.81 ? 45 TYR A CD2 1 ATOM 381 C CE1 . TYR A 1 45 ? 9.803 35.545 121.067 1.00 33.88 ? 45 TYR A CE1 1 ATOM 382 C CE2 . TYR A 1 45 ? 7.509 36.018 120.368 1.00 33.70 ? 45 TYR A CE2 1 ATOM 383 C CZ . TYR A 1 45 ? 8.423 35.351 121.189 1.00 34.24 ? 45 TYR A CZ 1 ATOM 384 O OH . TYR A 1 45 ? 7.941 34.484 122.136 1.00 35.25 ? 45 TYR A OH 1 ATOM 385 N N . THR A 1 46 ? 9.696 37.079 115.685 1.00 34.32 ? 46 THR A N 1 ATOM 386 C CA . THR A 1 46 ? 9.019 36.456 114.549 1.00 35.24 ? 46 THR A CA 1 ATOM 387 C C . THR A 1 46 ? 9.994 35.872 113.545 1.00 36.14 ? 46 THR A C 1 ATOM 388 O O . THR A 1 46 ? 9.674 34.913 112.811 1.00 36.57 ? 46 THR A O 1 ATOM 389 C CB . THR A 1 46 ? 8.070 37.619 114.049 1.00 35.16 ? 46 THR A CB 1 ATOM 390 O OG1 . THR A 1 46 ? 8.902 38.814 114.228 1.00 35.61 ? 46 THR A OG1 1 ATOM 391 C CG2 . THR A 1 46 ? 6.787 37.854 114.842 1.00 35.18 ? 46 THR A CG2 1 ATOM 392 N N . ALA A 1 47 ? 11.214 36.361 113.422 1.00 37.27 ? 47 ALA A N 1 ATOM 393 C CA . ALA A 1 47 ? 12.235 35.823 112.507 1.00 38.77 ? 47 ALA A CA 1 ATOM 394 C C . ALA A 1 47 ? 13.088 34.780 113.268 1.00 40.13 ? 47 ALA A C 1 ATOM 395 O O . ALA A 1 47 ? 13.977 34.152 112.630 1.00 40.43 ? 47 ALA A O 1 ATOM 396 C CB . ALA A 1 47 ? 13.185 36.835 111.873 1.00 38.07 ? 47 ALA A CB 1 ATOM 397 N N . CYS A 1 48 ? 12.753 34.611 114.555 1.00 41.08 ? 48 CYS A N 1 ATOM 398 C CA . CYS A 1 48 ? 13.507 33.658 115.360 1.00 42.34 ? 48 CYS A CA 1 ATOM 399 C C . CYS A 1 48 ? 12.638 32.518 115.959 1.00 43.89 ? 48 CYS A C 1 ATOM 400 O O . CYS A 1 48 ? 13.176 31.792 116.831 1.00 43.98 ? 48 CYS A O 1 ATOM 401 C CB . CYS A 1 48 ? 14.342 34.269 116.488 1.00 40.44 ? 48 CYS A CB 1 ATOM 402 S SG . CYS A 1 48 ? 15.709 35.374 115.874 1.00 38.70 ? 48 CYS A SG 1 ATOM 403 N N . GLU A 1 49 ? 11.399 32.383 115.520 1.00 45.48 ? 49 GLU A N 1 ATOM 404 C CA . GLU A 1 49 ? 10.545 31.302 116.026 1.00 47.64 ? 49 GLU A CA 1 ATOM 405 C C . GLU A 1 49 ? 11.048 29.926 115.558 1.00 48.42 ? 49 GLU A C 1 ATOM 406 O O . GLU A 1 49 ? 10.675 28.836 116.042 1.00 48.52 ? 49 GLU A O 1 ATOM 407 C CB . GLU A 1 49 ? 9.105 31.413 115.567 1.00 49.00 ? 49 GLU A CB 1 ATOM 408 C CG . GLU A 1 49 ? 8.727 30.807 114.229 1.00 51.35 ? 49 GLU A CG 1 ATOM 409 C CD . GLU A 1 49 ? 7.284 30.390 114.098 1.00 52.78 ? 49 GLU A CD 1 ATOM 410 O OE1 . GLU A 1 49 ? 6.597 30.806 115.055 1.00 52.68 ? 49 GLU A OE1 1 ATOM 411 O OE2 . GLU A 1 49 ? 6.803 29.713 113.182 1.00 54.36 ? 49 GLU A OE2 1 ATOM 412 N N . SER A 1 50 ? 11.915 29.955 114.555 1.00 49.01 ? 50 SER A N 1 ATOM 413 C CA . SER A 1 50 ? 12.466 28.698 114.036 1.00 49.42 ? 50 SER A CA 1 ATOM 414 C C . SER A 1 50 ? 13.692 28.378 114.884 1.00 49.57 ? 50 SER A C 1 ATOM 415 O O . SER A 1 50 ? 14.284 27.308 114.634 1.00 50.17 ? 50 SER A O 1 ATOM 416 C CB . SER A 1 50 ? 12.713 28.706 112.543 1.00 50.12 ? 50 SER A CB 1 ATOM 417 O OG . SER A 1 50 ? 13.784 29.496 112.040 1.00 50.31 ? 50 SER A OG 1 ATOM 418 N N . ALA A 1 51 ? 14.070 29.220 115.828 1.00 49.30 ? 51 ALA A N 1 ATOM 419 C CA . ALA A 1 51 ? 15.282 28.850 116.601 1.00 49.37 ? 51 ALA A CA 1 ATOM 420 C C . ALA A 1 51 ? 15.141 29.185 118.080 1.00 49.62 ? 51 ALA A C 1 ATOM 421 O O . ALA A 1 51 ? 16.136 29.498 118.756 1.00 49.49 ? 51 ALA A O 1 ATOM 422 C CB . ALA A 1 51 ? 16.542 29.383 115.936 1.00 48.85 ? 51 ALA A CB 1 ATOM 423 N N . ARG A 1 52 ? 13.918 28.999 118.545 1.00 50.15 ? 52 ARG A N 1 ATOM 424 C CA . ARG A 1 52 ? 13.470 29.209 119.926 1.00 50.60 ? 52 ARG A CA 1 ATOM 425 C C . ARG A 1 52 ? 14.054 28.187 120.905 1.00 50.93 ? 52 ARG A C 1 ATOM 426 O O . ARG A 1 52 ? 14.035 28.429 122.124 1.00 50.80 ? 52 ARG A O 1 ATOM 427 C CB . ARG A 1 52 ? 11.935 29.168 120.025 1.00 50.47 ? 52 ARG A CB 1 ATOM 428 C CG . ARG A 1 52 ? 11.252 30.246 119.202 1.00 50.76 ? 52 ARG A CG 1 ATOM 429 C CD . ARG A 1 52 ? 9.803 30.359 119.458 1.00 51.76 ? 52 ARG A CD 1 ATOM 430 N NE . ARG A 1 52 ? 9.357 30.457 120.821 1.00 52.54 ? 52 ARG A NE 1 ATOM 431 C CZ . ARG A 1 52 ? 9.812 30.885 121.982 1.00 53.04 ? 52 ARG A CZ 1 ATOM 432 N NH1 . ARG A 1 52 ? 11.042 31.333 122.271 1.00 53.13 ? 52 ARG A NH1 1 ATOM 433 N NH2 . ARG A 1 52 ? 9.002 30.821 123.052 1.00 53.85 ? 52 ARG A NH2 1 ATOM 434 N N . ASN A 1 53 ? 14.556 27.083 120.363 1.00 51.41 ? 53 ASN A N 1 ATOM 435 C CA . ASN A 1 53 ? 15.180 25.993 121.139 1.00 51.72 ? 53 ASN A CA 1 ATOM 436 C C . ASN A 1 53 ? 16.351 25.312 120.410 1.00 51.72 ? 53 ASN A C 1 ATOM 437 O O . ASN A 1 53 ? 16.246 24.886 119.238 1.00 52.03 ? 53 ASN A O 1 ATOM 438 C CB . ASN A 1 53 ? 14.151 24.962 121.606 1.00 51.98 ? 53 ASN A CB 1 ATOM 439 C CG . ASN A 1 53 ? 12.963 24.800 120.672 1.00 51.98 ? 53 ASN A CG 1 ATOM 440 O OD1 . ASN A 1 53 ? 13.103 24.694 119.445 1.00 52.02 ? 53 ASN A OD1 1 ATOM 441 N ND2 . ASN A 1 53 ? 11.772 24.827 121.286 1.00 52.26 ? 53 ASN A ND2 1 ATOM 442 N N . PRO A 1 54 ? 17.466 25.175 121.117 1.00 51.66 ? 54 PRO A N 1 ATOM 443 C CA . PRO A 1 54 ? 17.697 25.613 122.490 1.00 51.72 ? 54 PRO A CA 1 ATOM 444 C C . PRO A 1 54 ? 17.496 27.115 122.674 1.00 51.78 ? 54 PRO A C 1 ATOM 445 O O . PRO A 1 54 ? 17.354 27.838 121.670 1.00 51.66 ? 54 PRO A O 1 ATOM 446 C CB . PRO A 1 54 ? 19.149 25.242 122.814 1.00 51.68 ? 54 PRO A CB 1 ATOM 447 C CG . PRO A 1 54 ? 19.696 24.526 121.621 1.00 51.71 ? 54 PRO A CG 1 ATOM 448 C CD . PRO A 1 54 ? 18.639 24.507 120.533 1.00 51.60 ? 54 PRO A CD 1 ATOM 449 N N . ARG A 1 55 ? 17.495 27.510 123.946 1.00 51.62 ? 55 ARG A N 1 ATOM 450 C CA . ARG A 1 55 ? 17.379 28.894 124.409 1.00 51.08 ? 55 ARG A CA 1 ATOM 451 C C . ARG A 1 55 ? 18.756 29.583 124.399 1.00 51.28 ? 55 ARG A C 1 ATOM 452 O O . ARG A 1 55 ? 19.037 30.635 125.017 1.00 51.45 ? 55 ARG A O 1 ATOM 453 C CB . ARG A 1 55 ? 16.824 28.993 125.833 1.00 50.62 ? 55 ARG A CB 1 ATOM 454 C CG . ARG A 1 55 ? 17.134 30.320 126.539 1.00 50.17 ? 55 ARG A CG 1 ATOM 455 C CD . ARG A 1 55 ? 16.657 31.504 125.765 1.00 49.22 ? 55 ARG A CD 1 ATOM 456 N NE . ARG A 1 55 ? 16.772 32.779 126.445 1.00 48.45 ? 55 ARG A NE 1 ATOM 457 C CZ . ARG A 1 55 ? 16.019 33.249 127.423 1.00 47.72 ? 55 ARG A CZ 1 ATOM 458 N NH1 . ARG A 1 55 ? 15.009 32.555 127.921 1.00 47.70 ? 55 ARG A NH1 1 ATOM 459 N NH2 . ARG A 1 55 ? 16.237 34.436 127.977 1.00 48.06 ? 55 ARG A NH2 1 ATOM 460 N N . GLU A 1 56 ? 19.639 28.920 123.676 1.00 51.13 ? 56 GLU A N 1 ATOM 461 C CA . GLU A 1 56 ? 21.037 29.390 123.546 1.00 51.23 ? 56 GLU A CA 1 ATOM 462 C C . GLU A 1 56 ? 21.258 29.790 122.097 1.00 50.63 ? 56 GLU A C 1 ATOM 463 O O . GLU A 1 56 ? 22.063 30.668 121.740 1.00 50.65 ? 56 GLU A O 1 ATOM 464 C CB . GLU A 1 56 ? 21.911 28.289 124.115 1.00 52.60 ? 56 GLU A CB 1 ATOM 465 C CG . GLU A 1 56 ? 23.222 27.889 123.454 1.00 53.84 ? 56 GLU A CG 1 ATOM 466 C CD . GLU A 1 56 ? 24.136 29.054 123.160 1.00 54.68 ? 56 GLU A CD 1 ATOM 467 O OE1 . GLU A 1 56 ? 24.749 29.415 124.209 1.00 55.14 ? 56 GLU A OE1 1 ATOM 468 O OE2 . GLU A 1 56 ? 24.201 29.526 122.029 1.00 54.95 ? 56 GLU A OE2 1 ATOM 469 N N . LYS A 1 57 ? 20.433 29.185 121.270 1.00 49.80 ? 57 LYS A N 1 ATOM 470 C CA . LYS A 1 57 ? 20.337 29.361 119.817 1.00 49.07 ? 57 LYS A CA 1 ATOM 471 C C . LYS A 1 57 ? 19.440 30.570 119.510 1.00 48.23 ? 57 LYS A C 1 ATOM 472 O O . LYS A 1 57 ? 19.549 31.260 118.491 1.00 47.32 ? 57 LYS A O 1 ATOM 473 C CB . LYS A 1 57 ? 19.875 28.063 119.177 1.00 49.73 ? 57 LYS A CB 1 ATOM 474 C CG . LYS A 1 57 ? 18.900 28.061 118.010 1.00 51.01 ? 57 LYS A CG 1 ATOM 475 C CD . LYS A 1 57 ? 19.335 27.062 116.891 1.00 51.95 ? 57 LYS A CD 1 ATOM 476 C CE . LYS A 1 57 ? 18.247 26.778 115.881 1.00 53.16 ? 57 LYS A CE 1 ATOM 477 N NZ . LYS A 1 57 ? 18.707 26.399 114.494 1.00 53.19 ? 57 LYS A NZ 1 ATOM 478 N N . LEU A 1 58 ? 18.534 30.817 120.441 1.00 47.50 ? 58 LEU A N 1 ATOM 479 C CA . LEU A 1 58 ? 17.567 31.922 120.410 1.00 46.74 ? 58 LEU A CA 1 ATOM 480 C C . LEU A 1 58 ? 18.354 33.193 120.767 1.00 46.50 ? 58 LEU A C 1 ATOM 481 O O . LEU A 1 58 ? 18.150 34.298 120.220 1.00 45.86 ? 58 LEU A O 1 ATOM 482 C CB . LEU A 1 58 ? 16.395 31.596 121.348 1.00 46.19 ? 58 LEU A CB 1 ATOM 483 C CG . LEU A 1 58 ? 15.099 32.439 121.309 1.00 46.10 ? 58 LEU A CG 1 ATOM 484 C CD1 . LEU A 1 58 ? 14.440 32.385 119.899 1.00 45.68 ? 58 LEU A CD1 1 ATOM 485 C CD2 . LEU A 1 58 ? 14.064 31.972 122.345 1.00 45.20 ? 58 LEU A CD2 1 ATOM 486 N N . ASN A 1 59 ? 19.300 32.976 121.698 1.00 46.32 ? 59 ASN A N 1 ATOM 487 C CA . ASN A 1 59 ? 20.085 34.190 122.106 1.00 45.99 ? 59 ASN A CA 1 ATOM 488 C C . ASN A 1 59 ? 20.938 34.548 120.901 1.00 46.28 ? 59 ASN A C 1 ATOM 489 O O . ASN A 1 59 ? 21.021 35.737 120.578 1.00 46.76 ? 59 ASN A O 1 ATOM 490 C CB . ASN A 1 59 ? 20.649 33.997 123.486 1.00 45.73 ? 59 ASN A CB 1 ATOM 491 C CG . ASN A 1 59 ? 19.633 34.188 124.611 1.00 46.30 ? 59 ASN A CG 1 ATOM 492 O OD1 . ASN A 1 59 ? 19.958 34.723 125.707 1.00 46.46 ? 59 ASN A OD1 1 ATOM 493 N ND2 . ASN A 1 59 ? 18.361 33.779 124.432 1.00 45.89 ? 59 ASN A ND2 1 ATOM 494 N N . GLU A 1 60 ? 21.456 33.573 120.157 1.00 46.42 ? 60 GLU A N 1 ATOM 495 C CA . GLU A 1 60 ? 22.292 33.786 118.972 1.00 45.48 ? 60 GLU A CA 1 ATOM 496 C C . GLU A 1 60 ? 21.434 34.497 117.938 1.00 44.74 ? 60 GLU A C 1 ATOM 497 O O . GLU A 1 60 ? 21.858 35.613 117.574 1.00 45.06 ? 60 GLU A O 1 ATOM 498 C CB . GLU A 1 60 ? 22.912 32.529 118.396 1.00 46.34 ? 60 GLU A CB 1 ATOM 499 C CG . GLU A 1 60 ? 23.943 32.598 117.286 1.00 48.53 ? 60 GLU A CG 1 ATOM 500 C CD . GLU A 1 60 ? 24.475 31.378 116.587 1.00 50.06 ? 60 GLU A CD 1 ATOM 501 O OE1 . GLU A 1 60 ? 23.623 30.489 116.288 1.00 50.38 ? 60 GLU A OE1 1 ATOM 502 O OE2 . GLU A 1 60 ? 25.661 31.187 116.262 1.00 50.77 ? 60 GLU A OE2 1 ATOM 503 N N . CYS A 1 61 ? 20.284 33.985 117.579 1.00 43.79 ? 61 CYS A N 1 ATOM 504 C CA . CYS A 1 61 ? 19.350 34.524 116.577 1.00 42.99 ? 61 CYS A CA 1 ATOM 505 C C . CYS A 1 61 ? 18.761 35.896 116.877 1.00 43.23 ? 61 CYS A C 1 ATOM 506 O O . CYS A 1 61 ? 18.459 36.672 115.956 1.00 43.58 ? 61 CYS A O 1 ATOM 507 C CB . CYS A 1 61 ? 18.191 33.568 116.286 1.00 40.94 ? 61 CYS A CB 1 ATOM 508 S SG . CYS A 1 61 ? 17.025 34.119 114.944 1.00 39.96 ? 61 CYS A SG 1 ATOM 509 N N . LEU A 1 62 ? 18.585 36.224 118.123 1.00 43.17 ? 62 LEU A N 1 ATOM 510 C CA . LEU A 1 62 ? 18.015 37.531 118.450 1.00 42.93 ? 62 LEU A CA 1 ATOM 511 C C . LEU A 1 62 ? 19.151 38.591 118.407 1.00 42.98 ? 62 LEU A C 1 ATOM 512 O O . LEU A 1 62 ? 18.928 39.743 118.008 1.00 43.13 ? 62 LEU A O 1 ATOM 513 C CB . LEU A 1 62 ? 17.272 37.430 119.785 1.00 42.15 ? 62 LEU A CB 1 ATOM 514 C CG . LEU A 1 62 ? 15.966 36.611 119.675 1.00 42.08 ? 62 LEU A CG 1 ATOM 515 C CD1 . LEU A 1 62 ? 15.407 36.203 121.040 1.00 42.82 ? 62 LEU A CD1 1 ATOM 516 C CD2 . LEU A 1 62 ? 14.833 37.367 118.965 1.00 42.13 ? 62 LEU A CD2 1 ATOM 517 N N . GLU A 1 63 ? 20.354 38.157 118.795 1.00 43.60 ? 63 GLU A N 1 ATOM 518 C CA . GLU A 1 63 ? 21.590 39.001 118.793 1.00 44.76 ? 63 GLU A CA 1 ATOM 519 C C . GLU A 1 63 ? 21.721 39.762 117.455 1.00 44.66 ? 63 GLU A C 1 ATOM 520 O O . GLU A 1 63 ? 22.030 40.966 117.441 1.00 45.05 ? 63 GLU A O 1 ATOM 521 C CB . GLU A 1 63 ? 22.825 38.123 118.983 1.00 45.96 ? 63 GLU A CB 1 ATOM 522 C CG . GLU A 1 63 ? 23.171 37.881 120.454 1.00 48.15 ? 63 GLU A CG 1 ATOM 523 C CD . GLU A 1 63 ? 24.064 38.972 121.034 1.00 49.88 ? 63 GLU A CD 1 ATOM 524 O OE1 . GLU A 1 63 ? 24.275 40.040 120.350 1.00 50.26 ? 63 GLU A OE1 1 ATOM 525 O OE2 . GLU A 1 63 ? 24.600 38.818 122.198 1.00 50.82 ? 63 GLU A OE2 1 ATOM 526 N N . GLY A 1 64 ? 21.515 39.003 116.371 1.00 44.33 ? 64 GLY A N 1 ATOM 527 C CA . GLY A 1 64 ? 21.419 39.542 114.985 1.00 43.60 ? 64 GLY A CA 1 ATOM 528 C C . GLY A 1 64 ? 22.677 39.443 114.077 1.00 43.55 ? 64 GLY A C 1 ATOM 529 O O . GLY A 1 64 ? 22.611 39.761 112.881 1.00 43.59 ? 64 GLY A O 1 ATOM 530 N N . ASN A 1 65 ? 23.809 39.000 114.590 1.00 43.48 ? 65 ASN A N 1 ATOM 531 C CA . ASN A 1 65 ? 25.069 38.990 113.787 1.00 43.38 ? 65 ASN A CA 1 ATOM 532 C C . ASN A 1 65 ? 25.123 37.895 112.690 1.00 43.30 ? 65 ASN A C 1 ATOM 533 O O . ASN A 1 65 ? 25.669 38.122 111.595 1.00 43.67 ? 65 ASN A O 1 ATOM 534 C CB . ASN A 1 65 ? 26.274 38.822 114.695 1.00 44.10 ? 65 ASN A CB 1 ATOM 535 C CG . ASN A 1 65 ? 26.669 40.136 115.367 1.00 44.82 ? 65 ASN A CG 1 ATOM 536 O OD1 . ASN A 1 65 ? 27.687 40.190 116.052 1.00 45.79 ? 65 ASN A OD1 1 ATOM 537 N ND2 . ASN A 1 65 ? 25.909 41.209 115.207 1.00 44.90 ? 65 ASN A ND2 1 ATOM 538 N N . CYS A 1 66 ? 24.583 36.717 112.983 1.00 42.50 ? 66 CYS A N 1 ATOM 539 C CA . CYS A 1 66 ? 24.559 35.603 111.996 1.00 41.30 ? 66 CYS A CA 1 ATOM 540 C C . CYS A 1 66 ? 23.180 35.570 111.348 1.00 40.38 ? 66 CYS A C 1 ATOM 541 O O . CYS A 1 66 ? 22.298 36.243 111.913 1.00 41.07 ? 66 CYS A O 1 ATOM 542 C CB . CYS A 1 66 ? 24.934 34.274 112.667 1.00 41.94 ? 66 CYS A CB 1 ATOM 543 S SG . CYS A 1 66 ? 23.883 33.829 114.127 1.00 41.91 ? 66 CYS A SG 1 ATOM 544 N N . ALA A 1 67 ? 22.948 34.905 110.253 1.00 39.04 ? 67 ALA A N 1 ATOM 545 C CA . ALA A 1 67 ? 21.642 34.803 109.608 1.00 37.85 ? 67 ALA A CA 1 ATOM 546 C C . ALA A 1 67 ? 21.146 33.343 109.777 1.00 37.45 ? 67 ALA A C 1 ATOM 547 O O . ALA A 1 67 ? 21.869 32.375 109.492 1.00 37.10 ? 67 ALA A O 1 ATOM 548 C CB . ALA A 1 67 ? 21.602 35.136 108.136 1.00 37.16 ? 67 ALA A CB 1 ATOM 549 N N . GLU A 1 68 ? 19.902 33.309 110.222 1.00 36.46 ? 68 GLU A N 1 ATOM 550 C CA . GLU A 1 68 ? 19.128 32.097 110.490 1.00 35.31 ? 68 GLU A CA 1 ATOM 551 C C . GLU A 1 68 ? 17.923 31.994 109.554 1.00 34.43 ? 68 GLU A C 1 ATOM 552 O O . GLU A 1 68 ? 17.160 32.951 109.417 1.00 34.18 ? 68 GLU A O 1 ATOM 553 C CB . GLU A 1 68 ? 18.672 32.055 111.948 1.00 34.39 ? 68 GLU A CB 1 ATOM 554 C CG . GLU A 1 68 ? 17.621 31.068 112.358 1.00 34.39 ? 68 GLU A CG 1 ATOM 555 C CD . GLU A 1 68 ? 17.721 29.586 112.303 1.00 34.49 ? 68 GLU A CD 1 ATOM 556 O OE1 . GLU A 1 68 ? 18.886 29.128 112.410 1.00 35.21 ? 68 GLU A OE1 1 ATOM 557 O OE2 . GLU A 1 68 ? 16.748 28.829 112.253 1.00 34.07 ? 68 GLU A OE2 1 ATOM 558 N N . GLY A 1 69 ? 17.741 30.857 108.919 1.00 33.81 ? 69 GLY A N 1 ATOM 559 C CA . GLY A 1 69 ? 16.597 30.762 107.969 1.00 33.81 ? 69 GLY A CA 1 ATOM 560 C C . GLY A 1 69 ? 17.102 31.656 106.811 1.00 33.66 ? 69 GLY A C 1 ATOM 561 O O . GLY A 1 69 ? 18.352 31.622 106.659 1.00 33.29 ? 69 GLY A O 1 ATOM 562 N N . VAL A 1 70 ? 16.204 32.427 106.177 1.00 32.99 ? 70 VAL A N 1 ATOM 563 C CA . VAL A 1 70 ? 16.693 33.315 105.086 1.00 31.73 ? 70 VAL A CA 1 ATOM 564 C C . VAL A 1 70 ? 17.262 34.662 105.569 1.00 30.83 ? 70 VAL A C 1 ATOM 565 O O . VAL A 1 70 ? 17.708 35.538 104.827 1.00 30.22 ? 70 VAL A O 1 ATOM 566 C CB . VAL A 1 70 ? 15.718 33.405 103.901 1.00 31.87 ? 70 VAL A CB 1 ATOM 567 C CG1 . VAL A 1 70 ? 15.935 32.250 102.895 1.00 31.79 ? 70 VAL A CG1 1 ATOM 568 C CG2 . VAL A 1 70 ? 14.261 33.545 104.299 1.00 32.10 ? 70 VAL A CG2 1 ATOM 569 N N . GLY A 1 71 ? 17.456 34.793 106.843 1.00 29.87 ? 71 GLY A N 1 ATOM 570 C CA . GLY A 1 71 ? 18.012 35.787 107.686 1.00 29.26 ? 71 GLY A CA 1 ATOM 571 C C . GLY A 1 71 ? 17.194 37.041 107.882 1.00 29.19 ? 71 GLY A C 1 ATOM 572 O O . GLY A 1 71 ? 17.792 38.134 107.919 1.00 29.78 ? 71 GLY A O 1 ATOM 573 N N . MET A 1 72 ? 15.891 36.964 108.037 1.00 28.50 ? 72 MET A N 1 ATOM 574 C CA . MET A 1 72 ? 15.074 38.163 108.257 1.00 27.52 ? 72 MET A CA 1 ATOM 575 C C . MET A 1 72 ? 15.442 38.787 109.617 1.00 26.94 ? 72 MET A C 1 ATOM 576 O O . MET A 1 72 ? 14.907 39.865 109.903 1.00 26.10 ? 72 MET A O 1 ATOM 577 C CB . MET A 1 72 ? 13.626 37.820 108.199 1.00 28.42 ? 72 MET A CB 1 ATOM 578 C CG . MET A 1 72 ? 12.964 37.606 106.879 1.00 30.07 ? 72 MET A CG 1 ATOM 579 S SD . MET A 1 72 ? 11.169 37.470 107.323 1.00 31.85 ? 72 MET A SD 1 ATOM 580 C CE . MET A 1 72 ? 11.154 38.681 108.698 1.00 32.04 ? 72 MET A CE 1 ATOM 581 N N . ASN A 1 73 ? 16.273 38.107 110.365 1.00 26.53 ? 73 ASN A N 1 ATOM 582 C CA . ASN A 1 73 ? 16.739 38.467 111.680 1.00 27.14 ? 73 ASN A CA 1 ATOM 583 C C . ASN A 1 73 ? 18.156 39.059 111.649 1.00 27.81 ? 73 ASN A C 1 ATOM 584 O O . ASN A 1 73 ? 18.753 39.389 112.701 1.00 27.28 ? 73 ASN A O 1 ATOM 585 C CB . ASN A 1 73 ? 16.801 37.228 112.611 1.00 26.06 ? 73 ASN A CB 1 ATOM 586 C CG . ASN A 1 73 ? 18.039 36.453 112.122 1.00 25.68 ? 73 ASN A CG 1 ATOM 587 O OD1 . ASN A 1 73 ? 18.031 36.033 110.948 1.00 24.87 ? 73 ASN A OD1 1 ATOM 588 N ND2 . ASN A 1 73 ? 19.049 36.354 112.977 1.00 25.13 ? 73 ASN A ND2 1 ATOM 589 N N . TYR A 1 74 ? 18.699 39.053 110.441 1.00 28.71 ? 74 TYR A N 1 ATOM 590 C CA . TYR A 1 74 ? 20.060 39.630 110.333 1.00 30.00 ? 74 TYR A CA 1 ATOM 591 C C . TYR A 1 74 ? 19.898 41.136 110.626 1.00 30.80 ? 74 TYR A C 1 ATOM 592 O O . TYR A 1 74 ? 19.100 41.798 109.949 1.00 30.92 ? 74 TYR A O 1 ATOM 593 C CB . TYR A 1 74 ? 20.691 39.383 108.957 1.00 29.87 ? 74 TYR A CB 1 ATOM 594 C CG . TYR A 1 74 ? 22.072 39.997 108.841 1.00 30.38 ? 74 TYR A CG 1 ATOM 595 C CD1 . TYR A 1 74 ? 23.068 39.730 109.796 1.00 30.47 ? 74 TYR A CD1 1 ATOM 596 C CD2 . TYR A 1 74 ? 22.386 40.848 107.795 1.00 30.38 ? 74 TYR A CD2 1 ATOM 597 C CE1 . TYR A 1 74 ? 24.337 40.283 109.674 1.00 30.54 ? 74 TYR A CE1 1 ATOM 598 C CE2 . TYR A 1 74 ? 23.663 41.382 107.637 1.00 30.32 ? 74 TYR A CE2 1 ATOM 599 C CZ . TYR A 1 74 ? 24.638 41.100 108.581 1.00 30.48 ? 74 TYR A CZ 1 ATOM 600 O OH . TYR A 1 74 ? 25.882 41.668 108.404 1.00 30.10 ? 74 TYR A OH 1 ATOM 601 N N . ARG A 1 75 ? 20.587 41.605 111.629 1.00 31.61 ? 75 ARG A N 1 ATOM 602 C CA . ARG A 1 75 ? 20.708 42.950 112.153 1.00 32.18 ? 75 ARG A CA 1 ATOM 603 C C . ARG A 1 75 ? 22.191 43.336 112.356 1.00 32.93 ? 75 ARG A C 1 ATOM 604 O O . ARG A 1 75 ? 22.504 44.071 113.320 1.00 32.85 ? 75 ARG A O 1 ATOM 605 C CB . ARG A 1 75 ? 19.996 43.127 113.496 1.00 31.89 ? 75 ARG A CB 1 ATOM 606 C CG . ARG A 1 75 ? 18.600 43.740 113.525 1.00 31.19 ? 75 ARG A CG 1 ATOM 607 C CD . ARG A 1 75 ? 17.703 43.091 112.521 1.00 30.54 ? 75 ARG A CD 1 ATOM 608 N NE . ARG A 1 75 ? 16.276 43.447 112.719 1.00 29.64 ? 75 ARG A NE 1 ATOM 609 C CZ . ARG A 1 75 ? 15.427 42.821 111.892 1.00 29.20 ? 75 ARG A CZ 1 ATOM 610 N NH1 . ARG A 1 75 ? 16.064 42.117 110.937 1.00 29.12 ? 75 ARG A NH1 1 ATOM 611 N NH2 . ARG A 1 75 ? 14.109 42.887 111.862 1.00 28.83 ? 75 ARG A NH2 1 ATOM 612 N N . GLY A 1 76 ? 23.057 42.872 111.465 1.00 33.70 ? 76 GLY A N 1 ATOM 613 C CA . GLY A 1 76 ? 24.491 43.153 111.453 1.00 34.73 ? 76 GLY A CA 1 ATOM 614 C C . GLY A 1 76 ? 24.897 44.288 110.515 1.00 35.82 ? 76 GLY A C 1 ATOM 615 O O . GLY A 1 76 ? 24.049 44.983 109.880 1.00 35.83 ? 76 GLY A O 1 ATOM 616 N N . ASN A 1 77 ? 26.223 44.448 110.403 1.00 36.43 ? 77 ASN A N 1 ATOM 617 C CA . ASN A 1 77 ? 26.816 45.499 109.565 1.00 37.34 ? 77 ASN A CA 1 ATOM 618 C C . ASN A 1 77 ? 27.313 45.201 108.158 1.00 37.77 ? 77 ASN A C 1 ATOM 619 O O . ASN A 1 77 ? 27.970 46.177 107.697 1.00 38.26 ? 77 ASN A O 1 ATOM 620 C CB . ASN A 1 77 ? 28.005 46.160 110.278 1.00 38.11 ? 77 ASN A CB 1 ATOM 621 C CG . ASN A 1 77 ? 27.634 46.861 111.563 1.00 39.22 ? 77 ASN A CG 1 ATOM 622 O OD1 . ASN A 1 77 ? 26.436 47.061 111.841 1.00 39.12 ? 77 ASN A OD1 1 ATOM 623 N ND2 . ASN A 1 77 ? 28.712 47.211 112.303 1.00 39.84 ? 77 ASN A ND2 1 ATOM 624 N N . VAL A 1 78 ? 27.182 44.067 107.515 1.00 38.03 ? 78 VAL A N 1 ATOM 625 C CA . VAL A 1 78 ? 27.651 43.870 106.125 1.00 38.18 ? 78 VAL A CA 1 ATOM 626 C C . VAL A 1 78 ? 26.801 44.808 105.233 1.00 38.07 ? 78 VAL A C 1 ATOM 627 O O . VAL A 1 78 ? 25.550 44.814 105.238 1.00 37.31 ? 78 VAL A O 1 ATOM 628 C CB . VAL A 1 78 ? 27.539 42.421 105.613 1.00 38.54 ? 78 VAL A CB 1 ATOM 629 C CG1 . VAL A 1 78 ? 28.023 42.224 104.195 1.00 37.94 ? 78 VAL A CG1 1 ATOM 630 C CG2 . VAL A 1 78 ? 28.218 41.403 106.521 1.00 38.99 ? 78 VAL A CG2 1 ATOM 631 N N . SER A 1 79 ? 27.610 45.527 104.463 1.00 38.40 ? 79 SER A N 1 ATOM 632 C CA . SER A 1 79 ? 27.112 46.558 103.545 1.00 38.60 ? 79 SER A CA 1 ATOM 633 C C . SER A 1 79 ? 27.455 46.425 102.067 1.00 38.98 ? 79 SER A C 1 ATOM 634 O O . SER A 1 79 ? 26.829 47.259 101.353 1.00 38.95 ? 79 SER A O 1 ATOM 635 C CB . SER A 1 79 ? 27.537 47.922 104.050 1.00 37.79 ? 79 SER A CB 1 ATOM 636 O OG . SER A 1 79 ? 28.555 47.776 105.007 1.00 37.71 ? 79 SER A OG 1 ATOM 637 N N . VAL A 1 80 ? 28.302 45.470 101.691 1.00 39.01 ? 80 VAL A N 1 ATOM 638 C CA . VAL A 1 80 ? 28.527 45.318 100.240 1.00 39.53 ? 80 VAL A CA 1 ATOM 639 C C . VAL A 1 80 ? 27.952 43.938 99.853 1.00 39.61 ? 80 VAL A C 1 ATOM 640 O O . VAL A 1 80 ? 28.030 43.029 100.705 1.00 39.53 ? 80 VAL A O 1 ATOM 641 C CB . VAL A 1 80 ? 29.963 45.464 99.770 1.00 40.03 ? 80 VAL A CB 1 ATOM 642 C CG1 . VAL A 1 80 ? 30.913 45.903 100.919 1.00 40.30 ? 80 VAL A CG1 1 ATOM 643 C CG2 . VAL A 1 80 ? 30.397 44.175 98.983 1.00 40.64 ? 80 VAL A CG2 1 ATOM 644 N N . THR A 1 81 ? 27.442 43.899 98.647 1.00 39.77 ? 81 THR A N 1 ATOM 645 C CA . THR A 1 81 ? 26.825 42.751 98.016 1.00 40.15 ? 81 THR A CA 1 ATOM 646 C C . THR A 1 81 ? 27.712 41.535 97.713 1.00 41.07 ? 81 THR A C 1 ATOM 647 O O . THR A 1 81 ? 28.894 41.385 98.107 1.00 40.85 ? 81 THR A O 1 ATOM 648 C CB . THR A 1 81 ? 25.984 43.148 96.704 1.00 39.51 ? 81 THR A CB 1 ATOM 649 O OG1 . THR A 1 81 ? 26.778 43.375 95.488 1.00 37.99 ? 81 THR A OG1 1 ATOM 650 C CG2 . THR A 1 81 ? 25.028 44.279 97.136 1.00 39.36 ? 81 THR A CG2 1 ATOM 651 N N . ARG A 1 82 ? 27.032 40.620 96.992 1.00 41.53 ? 82 ARG A N 1 ATOM 652 C CA . ARG A 1 82 ? 27.646 39.363 96.523 1.00 42.45 ? 82 ARG A CA 1 ATOM 653 C C . ARG A 1 82 ? 28.590 39.701 95.357 1.00 42.43 ? 82 ARG A C 1 ATOM 654 O O . ARG A 1 82 ? 29.762 39.254 95.326 1.00 42.41 ? 82 ARG A O 1 ATOM 655 C CB . ARG A 1 82 ? 26.639 38.279 96.196 1.00 43.74 ? 82 ARG A CB 1 ATOM 656 C CG . ARG A 1 82 ? 27.175 36.923 95.760 1.00 45.71 ? 82 ARG A CG 1 ATOM 657 C CD . ARG A 1 82 ? 26.548 35.758 96.485 1.00 47.77 ? 82 ARG A CD 1 ATOM 658 N NE . ARG A 1 82 ? 27.209 35.396 97.730 1.00 48.58 ? 82 ARG A NE 1 ATOM 659 C CZ . ARG A 1 82 ? 26.639 35.208 98.922 1.00 48.95 ? 82 ARG A CZ 1 ATOM 660 N NH1 . ARG A 1 82 ? 25.294 35.336 99.056 1.00 48.65 ? 82 ARG A NH1 1 ATOM 661 N NH2 . ARG A 1 82 ? 27.457 34.901 99.946 1.00 49.28 ? 82 ARG A NH2 1 ATOM 662 N N . SER A 1 83 ? 28.095 40.570 94.479 1.00 42.06 ? 83 SER A N 1 ATOM 663 C CA . SER A 1 83 ? 28.925 41.013 93.347 1.00 41.71 ? 83 SER A CA 1 ATOM 664 C C . SER A 1 83 ? 30.071 41.892 93.847 1.00 41.56 ? 83 SER A C 1 ATOM 665 O O . SER A 1 83 ? 31.054 42.061 93.088 1.00 41.74 ? 83 SER A O 1 ATOM 666 C CB . SER A 1 83 ? 28.121 41.740 92.294 1.00 42.42 ? 83 SER A CB 1 ATOM 667 O OG . SER A 1 83 ? 27.348 40.881 91.472 1.00 43.56 ? 83 SER A OG 1 ATOM 668 N N . GLY A 1 84 ? 29.972 42.471 95.035 1.00 40.85 ? 84 GLY A N 1 ATOM 669 C CA . GLY A 1 84 ? 31.049 43.325 95.575 1.00 40.14 ? 84 GLY A CA 1 ATOM 670 C C . GLY A 1 84 ? 30.667 44.816 95.535 1.00 39.69 ? 84 GLY A C 1 ATOM 671 O O . GLY A 1 84 ? 31.310 45.722 96.116 1.00 39.44 ? 84 GLY A O 1 ATOM 672 N N . ILE A 1 85 ? 29.575 45.041 94.831 1.00 38.82 ? 85 ILE A N 1 ATOM 673 C CA . ILE A 1 85 ? 29.007 46.383 94.742 1.00 38.54 ? 85 ILE A CA 1 ATOM 674 C C . ILE A 1 85 ? 28.680 46.847 96.165 1.00 38.77 ? 85 ILE A C 1 ATOM 675 O O . ILE A 1 85 ? 28.631 46.049 97.114 1.00 39.42 ? 85 ILE A O 1 ATOM 676 C CB . ILE A 1 85 ? 27.744 46.248 93.830 1.00 38.12 ? 85 ILE A CB 1 ATOM 677 C CG1 . ILE A 1 85 ? 28.239 46.082 92.374 1.00 37.50 ? 85 ILE A CG1 1 ATOM 678 C CG2 . ILE A 1 85 ? 26.776 47.439 93.950 1.00 38.12 ? 85 ILE A CG2 1 ATOM 679 C CD1 . ILE A 1 85 ? 27.158 45.710 91.363 1.00 38.05 ? 85 ILE A CD1 1 ATOM 680 N N . GLU A 1 86 ? 28.470 48.136 96.341 1.00 38.48 ? 86 GLU A N 1 ATOM 681 C CA . GLU A 1 86 ? 28.113 48.655 97.670 1.00 37.86 ? 86 GLU A CA 1 ATOM 682 C C . GLU A 1 86 ? 26.649 49.065 97.637 1.00 36.71 ? 86 GLU A C 1 ATOM 683 O O . GLU A 1 86 ? 26.147 49.558 96.613 1.00 36.56 ? 86 GLU A O 1 ATOM 684 C CB . GLU A 1 86 ? 29.002 49.826 98.073 1.00 40.44 ? 86 GLU A CB 1 ATOM 685 C CG . GLU A 1 86 ? 30.484 49.542 97.840 1.00 43.50 ? 86 GLU A CG 1 ATOM 686 C CD . GLU A 1 86 ? 31.260 49.436 99.143 1.00 45.50 ? 86 GLU A CD 1 ATOM 687 O OE1 . GLU A 1 86 ? 30.950 50.206 100.124 1.00 46.69 ? 86 GLU A OE1 1 ATOM 688 O OE2 . GLU A 1 86 ? 32.217 48.578 99.257 1.00 46.61 ? 86 GLU A OE2 1 ATOM 689 N N . CYS A 1 87 ? 26.035 48.829 98.766 1.00 34.81 ? 87 CYS A N 1 ATOM 690 C CA . CYS A 1 87 ? 24.612 49.095 98.982 1.00 32.77 ? 87 CYS A CA 1 ATOM 691 C C . CYS A 1 87 ? 24.282 50.562 99.077 1.00 32.15 ? 87 CYS A C 1 ATOM 692 O O . CYS A 1 87 ? 25.111 51.394 99.464 1.00 31.46 ? 87 CYS A O 1 ATOM 693 C CB . CYS A 1 87 ? 24.213 48.438 100.303 1.00 31.02 ? 87 CYS A CB 1 ATOM 694 S SG . CYS A 1 87 ? 24.369 46.591 100.260 1.00 28.71 ? 87 CYS A SG 1 ATOM 695 N N . GLN A 1 88 ? 23.053 50.826 98.719 1.00 31.80 ? 88 GLN A N 1 ATOM 696 C CA . GLN A 1 88 ? 22.470 52.162 98.755 1.00 31.22 ? 88 GLN A CA 1 ATOM 697 C C . GLN A 1 88 ? 21.893 52.422 100.161 1.00 32.25 ? 88 GLN A C 1 ATOM 698 O O . GLN A 1 88 ? 21.677 51.496 100.967 1.00 33.09 ? 88 GLN A O 1 ATOM 699 C CB . GLN A 1 88 ? 21.342 52.225 97.704 1.00 28.73 ? 88 GLN A CB 1 ATOM 700 C CG . GLN A 1 88 ? 20.781 53.621 97.430 1.00 26.20 ? 88 GLN A CG 1 ATOM 701 C CD . GLN A 1 88 ? 19.371 53.569 96.828 1.00 24.51 ? 88 GLN A CD 1 ATOM 702 O OE1 . GLN A 1 88 ? 19.199 53.190 95.659 1.00 22.87 ? 88 GLN A OE1 1 ATOM 703 N NE2 . GLN A 1 88 ? 18.345 53.926 97.569 1.00 24.16 ? 88 GLN A NE2 1 ATOM 704 N N . LEU A 1 89 ? 21.692 53.687 100.413 1.00 32.82 ? 89 LEU A N 1 ATOM 705 C CA . LEU A 1 89 ? 21.044 54.185 101.620 1.00 32.49 ? 89 LEU A CA 1 ATOM 706 C C . LEU A 1 89 ? 19.587 53.755 101.465 1.00 32.96 ? 89 LEU A C 1 ATOM 707 O O . LEU A 1 89 ? 18.958 54.036 100.427 1.00 32.60 ? 89 LEU A O 1 ATOM 708 C CB . LEU A 1 89 ? 21.060 55.724 101.554 1.00 32.81 ? 89 LEU A CB 1 ATOM 709 C CG . LEU A 1 89 ? 22.006 56.544 102.447 1.00 32.76 ? 89 LEU A CG 1 ATOM 710 C CD1 . LEU A 1 89 ? 23.320 55.864 102.837 1.00 33.69 ? 89 LEU A CD1 1 ATOM 711 C CD2 . LEU A 1 89 ? 22.400 57.846 101.738 1.00 32.24 ? 89 LEU A CD2 1 ATOM 712 N N . TRP A 1 90 ? 19.015 53.062 102.427 1.00 33.03 ? 90 TRP A N 1 ATOM 713 C CA . TRP A 1 90 ? 17.602 52.706 102.264 1.00 33.10 ? 90 TRP A CA 1 ATOM 714 C C . TRP A 1 90 ? 16.846 54.024 102.293 1.00 33.59 ? 90 TRP A C 1 ATOM 715 O O . TRP A 1 90 ? 15.768 54.153 101.694 1.00 33.57 ? 90 TRP A O 1 ATOM 716 C CB . TRP A 1 90 ? 17.084 51.776 103.380 1.00 32.47 ? 90 TRP A CB 1 ATOM 717 C CG . TRP A 1 90 ? 17.843 50.445 103.547 1.00 31.28 ? 90 TRP A CG 1 ATOM 718 C CD1 . TRP A 1 90 ? 18.942 50.245 104.283 1.00 31.48 ? 90 TRP A CD1 1 ATOM 719 C CD2 . TRP A 1 90 ? 17.489 49.190 102.950 1.00 30.81 ? 90 TRP A CD2 1 ATOM 720 N NE1 . TRP A 1 90 ? 19.291 48.865 104.170 1.00 31.57 ? 90 TRP A NE1 1 ATOM 721 C CE2 . TRP A 1 90 ? 18.426 48.260 103.388 1.00 31.20 ? 90 TRP A CE2 1 ATOM 722 C CE3 . TRP A 1 90 ? 16.463 48.765 102.089 1.00 31.09 ? 90 TRP A CE3 1 ATOM 723 C CZ2 . TRP A 1 90 ? 18.395 46.906 103.021 1.00 30.43 ? 90 TRP A CZ2 1 ATOM 724 C CZ3 . TRP A 1 90 ? 16.443 47.401 101.722 1.00 30.16 ? 90 TRP A CZ3 1 ATOM 725 C CH2 . TRP A 1 90 ? 17.364 46.516 102.168 1.00 30.13 ? 90 TRP A CH2 1 ATOM 726 N N . ARG A 1 91 ? 17.500 54.949 102.995 1.00 34.37 ? 91 ARG A N 1 ATOM 727 C CA . ARG A 1 91 ? 16.994 56.304 103.220 1.00 35.12 ? 91 ARG A CA 1 ATOM 728 C C . ARG A 1 91 ? 16.934 57.076 101.906 1.00 34.84 ? 91 ARG A C 1 ATOM 729 O O . ARG A 1 91 ? 15.963 57.756 101.620 1.00 34.69 ? 91 ARG A O 1 ATOM 730 C CB . ARG A 1 91 ? 17.821 56.988 104.304 1.00 35.59 ? 91 ARG A CB 1 ATOM 731 C CG . ARG A 1 91 ? 18.737 58.086 103.818 1.00 36.31 ? 91 ARG A CG 1 ATOM 732 C CD . ARG A 1 91 ? 19.177 58.986 104.964 1.00 37.57 ? 91 ARG A CD 1 ATOM 733 N NE . ARG A 1 91 ? 20.618 59.184 105.000 1.00 38.72 ? 91 ARG A NE 1 ATOM 734 C CZ . ARG A 1 91 ? 21.244 60.213 104.429 1.00 40.04 ? 91 ARG A CZ 1 ATOM 735 N NH1 . ARG A 1 91 ? 20.561 61.163 103.761 1.00 40.10 ? 91 ARG A NH1 1 ATOM 736 N NH2 . ARG A 1 91 ? 22.566 60.375 104.481 1.00 40.25 ? 91 ARG A NH2 1 ATOM 737 N N . SER A 1 92 ? 17.942 56.969 101.096 1.00 35.14 ? 92 SER A N 1 ATOM 738 C CA . SER A 1 92 ? 18.210 57.519 99.771 1.00 35.05 ? 92 SER A CA 1 ATOM 739 C C . SER A 1 92 ? 17.149 57.113 98.744 1.00 35.66 ? 92 SER A C 1 ATOM 740 O O . SER A 1 92 ? 16.363 56.132 98.842 1.00 35.99 ? 92 SER A O 1 ATOM 741 C CB . SER A 1 92 ? 19.593 57.049 99.317 1.00 33.91 ? 92 SER A CB 1 ATOM 742 O OG . SER A 1 92 ? 20.054 57.733 98.192 1.00 33.52 ? 92 SER A OG 1 ATOM 743 N N . ARG A 1 93 ? 17.114 57.910 97.695 1.00 35.64 ? 93 ARG A N 1 ATOM 744 C CA . ARG A 1 93 ? 16.142 57.638 96.607 1.00 35.98 ? 93 ARG A CA 1 ATOM 745 C C . ARG A 1 93 ? 16.832 57.523 95.258 1.00 35.62 ? 93 ARG A C 1 ATOM 746 O O . ARG A 1 93 ? 16.128 57.425 94.240 1.00 35.95 ? 93 ARG A O 1 ATOM 747 C CB . ARG A 1 93 ? 15.051 58.705 96.717 1.00 36.60 ? 93 ARG A CB 1 ATOM 748 C CG . ARG A 1 93 ? 14.109 58.863 95.512 1.00 37.54 ? 93 ARG A CG 1 ATOM 749 C CD . ARG A 1 93 ? 14.286 60.112 94.718 1.00 37.54 ? 93 ARG A CD 1 ATOM 750 N NE . ARG A 1 93 ? 13.194 60.358 93.768 1.00 38.03 ? 93 ARG A NE 1 ATOM 751 C CZ . ARG A 1 93 ? 11.861 60.382 93.940 1.00 37.94 ? 93 ARG A CZ 1 ATOM 752 N NH1 . ARG A 1 93 ? 11.295 60.056 95.111 1.00 37.36 ? 93 ARG A NH1 1 ATOM 753 N NH2 . ARG A 1 93 ? 11.023 60.650 92.915 1.00 37.43 ? 93 ARG A NH2 1 ATOM 754 N N . TYR A 1 94 ? 18.141 57.471 95.228 1.00 35.26 ? 94 TYR A N 1 ATOM 755 C CA . TYR A 1 94 ? 19.002 57.435 94.045 1.00 35.54 ? 94 TYR A CA 1 ATOM 756 C C . TYR A 1 94 ? 20.152 56.451 94.299 1.00 35.23 ? 94 TYR A C 1 ATOM 757 O O . TYR A 1 94 ? 20.698 56.530 95.425 1.00 34.82 ? 94 TYR A O 1 ATOM 758 C CB . TYR A 1 94 ? 19.597 58.863 93.752 1.00 36.13 ? 94 TYR A CB 1 ATOM 759 C CG . TYR A 1 94 ? 18.567 59.978 93.665 1.00 36.91 ? 94 TYR A CG 1 ATOM 760 C CD1 . TYR A 1 94 ? 17.601 60.062 92.639 1.00 37.01 ? 94 TYR A CD1 1 ATOM 761 C CD2 . TYR A 1 94 ? 18.549 61.001 94.616 1.00 37.25 ? 94 TYR A CD2 1 ATOM 762 C CE1 . TYR A 1 94 ? 16.629 61.064 92.624 1.00 37.48 ? 94 TYR A CE1 1 ATOM 763 C CE2 . TYR A 1 94 ? 17.589 62.023 94.641 1.00 37.33 ? 94 TYR A CE2 1 ATOM 764 C CZ . TYR A 1 94 ? 16.620 62.041 93.643 1.00 37.75 ? 94 TYR A CZ 1 ATOM 765 O OH . TYR A 1 94 ? 15.708 63.065 93.655 1.00 37.31 ? 94 TYR A OH 1 ATOM 766 N N . PRO A 1 95 ? 20.609 55.647 93.343 1.00 34.59 ? 95 PRO A N 1 ATOM 767 C CA . PRO A 1 95 ? 20.183 55.573 91.970 1.00 34.11 ? 95 PRO A CA 1 ATOM 768 C C . PRO A 1 95 ? 18.927 54.749 91.796 1.00 34.13 ? 95 PRO A C 1 ATOM 769 O O . PRO A 1 95 ? 18.644 54.472 90.618 1.00 34.13 ? 95 PRO A O 1 ATOM 770 C CB . PRO A 1 95 ? 21.275 54.812 91.207 1.00 34.01 ? 95 PRO A CB 1 ATOM 771 C CG . PRO A 1 95 ? 22.243 54.323 92.221 1.00 34.19 ? 95 PRO A CG 1 ATOM 772 C CD . PRO A 1 95 ? 21.799 54.815 93.584 1.00 34.48 ? 95 PRO A CD 1 ATOM 773 N N . HIS A 1 96 ? 18.322 54.272 92.855 1.00 34.01 ? 96 HIS A N 1 ATOM 774 C CA . HIS A 1 96 ? 17.085 53.471 92.701 1.00 34.46 ? 96 HIS A CA 1 ATOM 775 C C . HIS A 1 96 ? 16.194 53.857 93.899 1.00 35.59 ? 96 HIS A C 1 ATOM 776 O O . HIS A 1 96 ? 16.742 53.924 95.013 1.00 36.01 ? 96 HIS A O 1 ATOM 777 C CB . HIS A 1 96 ? 17.129 51.924 92.744 1.00 31.15 ? 96 HIS A CB 1 ATOM 778 C CG . HIS A 1 96 ? 18.177 51.256 91.940 1.00 28.16 ? 96 HIS A CG 1 ATOM 779 N ND1 . HIS A 1 96 ? 17.977 50.799 90.666 1.00 26.98 ? 96 HIS A ND1 1 ATOM 780 C CD2 . HIS A 1 96 ? 19.475 50.989 92.249 1.00 27.20 ? 96 HIS A CD2 1 ATOM 781 C CE1 . HIS A 1 96 ? 19.118 50.349 90.188 1.00 26.25 ? 96 HIS A CE1 1 ATOM 782 N NE2 . HIS A 1 96 ? 20.034 50.443 91.129 1.00 26.03 ? 96 HIS A NE2 1 ATOM 783 N N . LYS A 1 97 ? 14.930 54.015 93.628 1.00 36.99 ? 97 LYS A N 1 ATOM 784 C CA . LYS A 1 97 ? 14.038 54.342 94.761 1.00 39.13 ? 97 LYS A CA 1 ATOM 785 C C . LYS A 1 97 ? 13.483 53.068 95.400 1.00 40.55 ? 97 LYS A C 1 ATOM 786 O O . LYS A 1 97 ? 12.740 52.259 94.815 1.00 40.37 ? 97 LYS A O 1 ATOM 787 C CB . LYS A 1 97 ? 12.945 55.264 94.285 1.00 39.53 ? 97 LYS A CB 1 ATOM 788 C CG . LYS A 1 97 ? 12.600 55.193 92.792 1.00 39.34 ? 97 LYS A CG 1 ATOM 789 C CD . LYS A 1 97 ? 11.209 55.792 92.592 1.00 40.15 ? 97 LYS A CD 1 ATOM 790 C CE . LYS A 1 97 ? 10.933 56.957 93.537 1.00 40.25 ? 97 LYS A CE 1 ATOM 791 N NZ . LYS A 1 97 ? 10.528 56.480 94.896 1.00 40.50 ? 97 LYS A NZ 1 ATOM 792 N N . PRO A 1 98 ? 13.790 52.945 96.691 1.00 41.92 ? 98 PRO A N 1 ATOM 793 C CA . PRO A 1 98 ? 13.366 51.749 97.463 1.00 43.30 ? 98 PRO A CA 1 ATOM 794 C C . PRO A 1 98 ? 11.852 51.688 97.562 1.00 44.51 ? 98 PRO A C 1 ATOM 795 O O . PRO A 1 98 ? 11.241 52.780 97.450 1.00 44.32 ? 98 PRO A O 1 ATOM 796 C CB . PRO A 1 98 ? 14.132 51.858 98.765 1.00 43.03 ? 98 PRO A CB 1 ATOM 797 C CG . PRO A 1 98 ? 14.999 53.075 98.738 1.00 42.37 ? 98 PRO A CG 1 ATOM 798 C CD . PRO A 1 98 ? 14.707 53.809 97.451 1.00 42.20 ? 98 PRO A CD 1 ATOM 799 N N . GLU A 1 99 ? 11.259 50.500 97.776 1.00 45.65 ? 99 GLU A N 1 ATOM 800 C CA . GLU A 1 99 ? 9.757 50.537 97.821 1.00 46.98 ? 99 GLU A CA 1 ATOM 801 C C . GLU A 1 99 ? 9.271 50.065 99.172 1.00 47.65 ? 99 GLU A C 1 ATOM 802 O O . GLU A 1 99 ? 8.144 50.121 99.691 1.00 47.58 ? 99 GLU A O 1 ATOM 803 C CB . GLU A 1 99 ? 9.146 49.832 96.640 1.00 47.58 ? 99 GLU A CB 1 ATOM 804 C CG . GLU A 1 99 ? 9.484 48.419 96.220 1.00 49.05 ? 99 GLU A CG 1 ATOM 805 C CD . GLU A 1 99 ? 10.934 48.062 96.083 1.00 50.19 ? 99 GLU A CD 1 ATOM 806 O OE1 . GLU A 1 99 ? 11.810 48.915 96.251 1.00 51.17 ? 99 GLU A OE1 1 ATOM 807 O OE2 . GLU A 1 99 ? 11.118 46.845 95.827 1.00 50.24 ? 99 GLU A OE2 1 ATOM 808 N N . ILE A 1 100 ? 10.289 49.617 99.864 1.00 48.78 ? 100 ILE A N 1 ATOM 809 C CA . ILE A 1 100 ? 10.345 49.089 101.241 1.00 49.77 ? 100 ILE A CA 1 ATOM 810 C C . ILE A 1 100 ? 11.219 50.120 101.945 1.00 50.48 ? 100 ILE A C 1 ATOM 811 O O . ILE A 1 100 ? 12.317 50.350 101.372 1.00 50.93 ? 100 ILE A O 1 ATOM 812 C CB . ILE A 1 100 ? 11.021 47.665 101.141 1.00 49.35 ? 100 ILE A CB 1 ATOM 813 C CG1 . ILE A 1 100 ? 9.916 46.613 100.684 1.00 49.47 ? 100 ILE A CG1 1 ATOM 814 C CG2 . ILE A 1 100 ? 11.837 47.213 102.383 1.00 48.68 ? 100 ILE A CG2 1 ATOM 815 C CD1 . ILE A 1 100 ? 10.655 45.240 100.386 1.00 50.57 ? 100 ILE A CD1 1 ATOM 816 N N . ASN A 1 101 ? 10.790 50.718 103.028 1.00 51.35 ? 101 ASN A N 1 ATOM 817 C CA . ASN A 1 101 ? 11.662 51.742 103.697 1.00 52.15 ? 101 ASN A CA 1 ATOM 818 C C . ASN A 1 101 ? 11.601 51.523 105.207 1.00 52.25 ? 101 ASN A C 1 ATOM 819 O O . ASN A 1 101 ? 12.089 50.482 105.663 1.00 52.66 ? 101 ASN A O 1 ATOM 820 C CB . ASN A 1 101 ? 11.287 53.147 103.247 1.00 52.69 ? 101 ASN A CB 1 ATOM 821 C CG . ASN A 1 101 ? 9.806 53.285 102.909 1.00 53.16 ? 101 ASN A CG 1 ATOM 822 O OD1 . ASN A 1 101 ? 8.872 52.831 103.582 1.00 53.24 ? 101 ASN A OD1 1 ATOM 823 N ND2 . ASN A 1 101 ? 9.603 54.047 101.809 1.00 53.79 ? 101 ASN A ND2 1 ATOM 824 N N . SER A 1 102 ? 11.030 52.439 105.948 1.00 52.51 ? 102 SER A N 1 ATOM 825 C CA . SER A 1 102 ? 10.902 52.281 107.414 1.00 52.81 ? 102 SER A CA 1 ATOM 826 C C . SER A 1 102 ? 9.390 52.300 107.669 1.00 52.91 ? 102 SER A C 1 ATOM 827 O O . SER A 1 102 ? 8.752 51.577 108.440 1.00 52.96 ? 102 SER A O 1 ATOM 828 C CB . SER A 1 102 ? 11.646 53.338 108.168 1.00 53.14 ? 102 SER A CB 1 ATOM 829 O OG . SER A 1 102 ? 12.859 53.762 107.563 1.00 53.73 ? 102 SER A OG 1 ATOM 830 N N . THR A 1 103 ? 8.836 53.223 106.903 1.00 52.88 ? 103 THR A N 1 ATOM 831 C CA . THR A 1 103 ? 7.372 53.395 106.902 1.00 52.94 ? 103 THR A CA 1 ATOM 832 C C . THR A 1 103 ? 6.749 52.051 106.532 1.00 52.14 ? 103 THR A C 1 ATOM 833 O O . THR A 1 103 ? 5.759 51.656 107.184 1.00 52.09 ? 103 THR A O 1 ATOM 834 C CB . THR A 1 103 ? 6.978 54.642 106.000 1.00 53.95 ? 103 THR A CB 1 ATOM 835 O OG1 . THR A 1 103 ? 6.486 55.653 106.961 1.00 54.34 ? 103 THR A OG1 1 ATOM 836 C CG2 . THR A 1 103 ? 6.006 54.410 104.838 1.00 53.57 ? 103 THR A CG2 1 ATOM 837 N N . THR A 1 104 ? 7.353 51.324 105.591 1.00 51.35 ? 104 THR A N 1 ATOM 838 C CA . THR A 1 104 ? 6.705 50.059 105.181 1.00 50.78 ? 104 THR A CA 1 ATOM 839 C C . THR A 1 104 ? 7.030 48.823 106.028 1.00 49.73 ? 104 THR A C 1 ATOM 840 O O . THR A 1 104 ? 6.074 48.038 106.304 1.00 49.80 ? 104 THR A O 1 ATOM 841 C CB . THR A 1 104 ? 6.803 49.733 103.627 1.00 51.24 ? 104 THR A CB 1 ATOM 842 O OG1 . THR A 1 104 ? 6.065 50.749 102.852 1.00 51.21 ? 104 THR A OG1 1 ATOM 843 C CG2 . THR A 1 104 ? 6.228 48.342 103.289 1.00 50.89 ? 104 THR A CG2 1 ATOM 844 N N . HIS A 1 105 ? 8.295 48.660 106.366 1.00 48.09 ? 105 HIS A N 1 ATOM 845 C CA . HIS A 1 105 ? 8.774 47.504 107.167 1.00 46.23 ? 105 HIS A CA 1 ATOM 846 C C . HIS A 1 105 ? 9.642 48.101 108.268 1.00 45.12 ? 105 HIS A C 1 ATOM 847 O O . HIS A 1 105 ? 10.856 48.215 108.082 1.00 45.08 ? 105 HIS A O 1 ATOM 848 C CB . HIS A 1 105 ? 9.576 46.534 106.286 1.00 45.59 ? 105 HIS A CB 1 ATOM 849 C CG . HIS A 1 105 ? 8.829 46.002 105.102 1.00 45.18 ? 105 HIS A CG 1 ATOM 850 N ND1 . HIS A 1 105 ? 8.556 44.675 104.854 1.00 45.08 ? 105 HIS A ND1 1 ATOM 851 C CD2 . HIS A 1 105 ? 8.323 46.670 104.040 1.00 44.92 ? 105 HIS A CD2 1 ATOM 852 C CE1 . HIS A 1 105 ? 7.921 44.552 103.708 1.00 44.77 ? 105 HIS A CE1 1 ATOM 853 N NE2 . HIS A 1 105 ? 7.756 45.756 103.198 1.00 44.46 ? 105 HIS A NE2 1 ATOM 854 N N . PRO A 1 106 ? 9.019 48.475 109.376 1.00 44.27 ? 106 PRO A N 1 ATOM 855 C CA . PRO A 1 106 ? 9.662 49.200 110.459 1.00 43.43 ? 106 PRO A CA 1 ATOM 856 C C . PRO A 1 106 ? 10.265 48.336 111.575 1.00 42.39 ? 106 PRO A C 1 ATOM 857 O O . PRO A 1 106 ? 10.931 48.936 112.457 1.00 42.36 ? 106 PRO A O 1 ATOM 858 C CB . PRO A 1 106 ? 8.550 49.955 111.182 1.00 43.87 ? 106 PRO A CB 1 ATOM 859 C CG . PRO A 1 106 ? 7.273 49.323 110.714 1.00 44.35 ? 106 PRO A CG 1 ATOM 860 C CD . PRO A 1 106 ? 7.566 48.386 109.562 1.00 44.28 ? 106 PRO A CD 1 ATOM 861 N N . GLY A 1 107 ? 9.900 47.069 111.611 1.00 40.65 ? 107 GLY A N 1 ATOM 862 C CA . GLY A 1 107 ? 10.493 46.243 112.681 1.00 38.94 ? 107 GLY A CA 1 ATOM 863 C C . GLY A 1 107 ? 11.962 46.077 112.260 1.00 38.02 ? 107 GLY A C 1 ATOM 864 O O . GLY A 1 107 ? 12.864 45.985 113.118 1.00 38.58 ? 107 GLY A O 1 ATOM 865 N N . ALA A 1 108 ? 12.145 46.064 110.964 1.00 36.90 ? 108 ALA A N 1 ATOM 866 C CA . ALA A 1 108 ? 13.355 45.876 110.175 1.00 35.71 ? 108 ALA A CA 1 ATOM 867 C C . ALA A 1 108 ? 14.321 47.041 110.200 1.00 34.97 ? 108 ALA A C 1 ATOM 868 O O . ALA A 1 108 ? 13.996 48.014 109.502 1.00 35.93 ? 108 ALA A O 1 ATOM 869 C CB . ALA A 1 108 ? 13.030 45.667 108.677 1.00 34.77 ? 108 ALA A CB 1 ATOM 870 N N . ASP A 1 109 ? 15.458 46.891 110.806 1.00 34.07 ? 109 ASP A N 1 ATOM 871 C CA . ASP A 1 109 ? 16.495 47.906 110.992 1.00 32.93 ? 109 ASP A CA 1 ATOM 872 C C . ASP A 1 109 ? 17.167 48.329 109.702 1.00 32.75 ? 109 ASP A C 1 ATOM 873 O O . ASP A 1 109 ? 18.321 47.969 109.437 1.00 32.06 ? 109 ASP A O 1 ATOM 874 C CB . ASP A 1 109 ? 17.525 47.297 111.914 1.00 32.69 ? 109 ASP A CB 1 ATOM 875 C CG . ASP A 1 109 ? 18.449 48.252 112.657 1.00 32.84 ? 109 ASP A CG 1 ATOM 876 O OD1 . ASP A 1 109 ? 18.306 49.521 112.537 1.00 33.56 ? 109 ASP A OD1 1 ATOM 877 O OD2 . ASP A 1 109 ? 19.379 47.764 113.413 1.00 33.01 ? 109 ASP A OD2 1 ATOM 878 N N . LEU A 1 110 ? 16.433 49.104 108.949 1.00 32.75 ? 110 LEU A N 1 ATOM 879 C CA . LEU A 1 110 ? 16.929 49.644 107.694 1.00 33.11 ? 110 LEU A CA 1 ATOM 880 C C . LEU A 1 110 ? 17.802 50.877 107.990 1.00 33.67 ? 110 LEU A C 1 ATOM 881 O O . LEU A 1 110 ? 17.496 51.993 107.542 1.00 33.98 ? 110 LEU A O 1 ATOM 882 C CB . LEU A 1 110 ? 15.748 50.024 106.789 1.00 32.82 ? 110 LEU A CB 1 ATOM 883 C CG . LEU A 1 110 ? 15.249 48.858 105.922 1.00 33.55 ? 110 LEU A CG 1 ATOM 884 C CD1 . LEU A 1 110 ? 15.908 47.523 106.274 1.00 33.84 ? 110 LEU A CD1 1 ATOM 885 C CD2 . LEU A 1 110 ? 13.741 48.618 106.045 1.00 33.02 ? 110 LEU A CD2 1 ATOM 886 N N . ARG A 1 111 ? 18.880 50.657 108.770 1.00 34.52 ? 111 ARG A N 1 ATOM 887 C CA . ARG A 1 111 ? 19.851 51.742 109.070 1.00 35.52 ? 111 ARG A CA 1 ATOM 888 C C . ARG A 1 111 ? 21.062 51.628 108.140 1.00 35.54 ? 111 ARG A C 1 ATOM 889 O O . ARG A 1 111 ? 21.573 50.523 107.885 1.00 35.56 ? 111 ARG A O 1 ATOM 890 C CB . ARG A 1 111 ? 20.385 51.798 110.540 1.00 37.49 ? 111 ARG A CB 1 ATOM 891 C CG . ARG A 1 111 ? 20.197 50.553 111.408 1.00 39.79 ? 111 ARG A CG 1 ATOM 892 C CD . ARG A 1 111 ? 21.412 50.212 112.309 1.00 41.30 ? 111 ARG A CD 1 ATOM 893 N NE . ARG A 1 111 ? 21.962 48.958 111.835 1.00 43.69 ? 111 ARG A NE 1 ATOM 894 C CZ . ARG A 1 111 ? 22.784 48.074 112.395 1.00 44.38 ? 111 ARG A CZ 1 ATOM 895 N NH1 . ARG A 1 111 ? 23.327 48.212 113.604 1.00 44.48 ? 111 ARG A NH1 1 ATOM 896 N NH2 . ARG A 1 111 ? 23.109 46.951 111.762 1.00 44.13 ? 111 ARG A NH2 1 ATOM 897 N N . GLU A 1 112 ? 21.451 52.804 107.685 1.00 35.80 ? 112 GLU A N 1 ATOM 898 C CA . GLU A 1 112 ? 22.556 53.006 106.741 1.00 35.88 ? 112 GLU A CA 1 ATOM 899 C C . GLU A 1 112 ? 22.191 52.411 105.384 1.00 34.78 ? 112 GLU A C 1 ATOM 900 O O . GLU A 1 112 ? 21.079 52.611 104.877 1.00 35.00 ? 112 GLU A O 1 ATOM 901 C CB . GLU A 1 112 ? 23.845 52.319 107.221 1.00 38.27 ? 112 GLU A CB 1 ATOM 902 C CG . GLU A 1 112 ? 24.081 52.426 108.728 1.00 40.05 ? 112 GLU A CG 1 ATOM 903 C CD . GLU A 1 112 ? 24.893 53.658 109.136 1.00 42.22 ? 112 GLU A CD 1 ATOM 904 O OE1 . GLU A 1 112 ? 24.714 54.782 108.528 1.00 43.07 ? 112 GLU A OE1 1 ATOM 905 O OE2 . GLU A 1 112 ? 25.751 53.571 110.095 1.00 43.18 ? 112 GLU A OE2 1 ATOM 906 N N . ASN A 1 113 ? 23.163 51.706 104.879 1.00 33.87 ? 113 ASN A N 1 ATOM 907 C CA . ASN A 1 113 ? 23.116 51.003 103.597 1.00 33.13 ? 113 ASN A CA 1 ATOM 908 C C . ASN A 1 113 ? 23.433 49.532 103.877 1.00 32.76 ? 113 ASN A C 1 ATOM 909 O O . ASN A 1 113 ? 24.179 48.953 103.058 1.00 33.31 ? 113 ASN A O 1 ATOM 910 C CB . ASN A 1 113 ? 24.237 51.546 102.743 1.00 32.15 ? 113 ASN A CB 1 ATOM 911 C CG . ASN A 1 113 ? 25.548 51.459 103.516 1.00 31.18 ? 113 ASN A CG 1 ATOM 912 O OD1 . ASN A 1 113 ? 26.585 51.165 102.935 1.00 31.76 ? 113 ASN A OD1 1 ATOM 913 N ND2 . ASN A 1 113 ? 25.547 51.682 104.821 1.00 29.72 ? 113 ASN A ND2 1 ATOM 914 N N . PHE A 1 114 ? 22.992 49.013 105.004 1.00 31.77 ? 114 PHE A N 1 ATOM 915 C CA . PHE A 1 114 ? 23.150 47.677 105.559 1.00 30.41 ? 114 PHE A CA 1 ATOM 916 C C . PHE A 1 114 ? 22.221 46.635 104.857 1.00 30.19 ? 114 PHE A C 1 ATOM 917 O O . PHE A 1 114 ? 21.098 46.954 104.444 1.00 30.16 ? 114 PHE A O 1 ATOM 918 C CB . PHE A 1 114 ? 22.751 47.763 107.030 1.00 30.14 ? 114 PHE A CB 1 ATOM 919 C CG . PHE A 1 114 ? 23.734 48.540 107.896 1.00 30.23 ? 114 PHE A CG 1 ATOM 920 C CD1 . PHE A 1 114 ? 25.058 48.705 107.480 1.00 29.95 ? 114 PHE A CD1 1 ATOM 921 C CD2 . PHE A 1 114 ? 23.301 49.085 109.109 1.00 29.71 ? 114 PHE A CD2 1 ATOM 922 C CE1 . PHE A 1 114 ? 25.956 49.419 108.282 1.00 29.41 ? 114 PHE A CE1 1 ATOM 923 C CE2 . PHE A 1 114 ? 24.198 49.798 109.912 1.00 29.48 ? 114 PHE A CE2 1 ATOM 924 C CZ . PHE A 1 114 ? 25.526 49.966 109.498 1.00 29.17 ? 114 PHE A CZ 1 ATOM 925 N N . CYS A 1 115 ? 22.732 45.394 104.751 1.00 29.72 ? 115 CYS A N 1 ATOM 926 C CA . CYS A 1 115 ? 22.004 44.215 104.149 1.00 29.14 ? 115 CYS A CA 1 ATOM 927 C C . CYS A 1 115 ? 20.876 43.803 105.144 1.00 28.01 ? 115 CYS A C 1 ATOM 928 O O . CYS A 1 115 ? 21.110 43.681 106.352 1.00 27.50 ? 115 CYS A O 1 ATOM 929 C CB . CYS A 1 115 ? 22.991 43.074 103.891 1.00 30.73 ? 115 CYS A CB 1 ATOM 930 S SG . CYS A 1 115 ? 24.415 43.576 102.804 1.00 30.85 ? 115 CYS A SG 1 ATOM 931 N N . ARG A 1 116 ? 19.626 43.550 104.660 1.00 27.38 ? 116 ARG A N 1 ATOM 932 C CA . ARG A 1 116 ? 18.500 43.290 105.635 1.00 28.31 ? 116 ARG A CA 1 ATOM 933 C C . ARG A 1 116 ? 17.419 42.205 105.330 1.00 29.13 ? 116 ARG A C 1 ATOM 934 O O . ARG A 1 116 ? 17.089 41.364 106.166 1.00 29.55 ? 116 ARG A O 1 ATOM 935 C CB . ARG A 1 116 ? 17.630 44.529 105.799 1.00 27.69 ? 116 ARG A CB 1 ATOM 936 C CG . ARG A 1 116 ? 18.276 45.621 106.644 1.00 27.23 ? 116 ARG A CG 1 ATOM 937 C CD . ARG A 1 116 ? 18.360 45.268 108.131 1.00 27.11 ? 116 ARG A CD 1 ATOM 938 N NE . ARG A 1 116 ? 19.710 44.850 108.526 1.00 26.14 ? 116 ARG A NE 1 ATOM 939 C CZ . ARG A 1 116 ? 20.489 45.501 109.406 1.00 26.24 ? 116 ARG A CZ 1 ATOM 940 N NH1 . ARG A 1 116 ? 20.070 46.617 110.022 1.00 26.03 ? 116 ARG A NH1 1 ATOM 941 N NH2 . ARG A 1 116 ? 21.726 45.110 109.733 1.00 25.74 ? 116 ARG A NH2 1 ATOM 942 N N . ASN A 1 117 ? 16.794 42.230 104.177 1.00 29.99 ? 117 ASN A N 1 ATOM 943 C CA . ASN A 1 117 ? 15.716 41.245 103.870 1.00 30.75 ? 117 ASN A CA 1 ATOM 944 C C . ASN A 1 117 ? 14.433 41.567 104.683 1.00 31.15 ? 117 ASN A C 1 ATOM 945 O O . ASN A 1 117 ? 14.022 40.797 105.571 1.00 31.12 ? 117 ASN A O 1 ATOM 946 C CB . ASN A 1 117 ? 16.162 39.823 104.244 1.00 30.76 ? 117 ASN A CB 1 ATOM 947 C CG . ASN A 1 117 ? 15.339 38.724 103.551 1.00 30.97 ? 117 ASN A CG 1 ATOM 948 O OD1 . ASN A 1 117 ? 14.137 38.888 103.343 1.00 30.49 ? 117 ASN A OD1 1 ATOM 949 N ND2 . ASN A 1 117 ? 15.921 37.599 103.176 1.00 31.12 ? 117 ASN A ND2 1 ATOM 950 N N . PRO A 1 118 ? 13.760 42.702 104.422 1.00 31.45 ? 118 PRO A N 1 ATOM 951 C CA . PRO A 1 118 ? 12.523 43.057 105.136 1.00 31.29 ? 118 PRO A CA 1 ATOM 952 C C . PRO A 1 118 ? 11.467 41.992 104.803 1.00 30.92 ? 118 PRO A C 1 ATOM 953 O O . PRO A 1 118 ? 10.572 41.639 105.518 1.00 30.67 ? 118 PRO A O 1 ATOM 954 C CB . PRO A 1 118 ? 12.150 44.396 104.536 1.00 31.41 ? 118 PRO A CB 1 ATOM 955 C CG . PRO A 1 118 ? 13.190 44.745 103.471 1.00 31.42 ? 118 PRO A CG 1 ATOM 956 C CD . PRO A 1 118 ? 14.206 43.652 103.404 1.00 31.37 ? 118 PRO A CD 1 ATOM 957 N N . ASP A 1 119 ? 11.666 41.611 103.560 1.00 31.42 ? 119 ASP A N 1 ATOM 958 C CA . ASP A 1 119 ? 10.882 40.711 102.724 1.00 31.86 ? 119 ASP A CA 1 ATOM 959 C C . ASP A 1 119 ? 11.074 39.202 102.805 1.00 31.68 ? 119 ASP A C 1 ATOM 960 O O . ASP A 1 119 ? 10.160 38.552 102.253 1.00 31.73 ? 119 ASP A O 1 ATOM 961 C CB . ASP A 1 119 ? 10.924 41.259 101.299 1.00 31.60 ? 119 ASP A CB 1 ATOM 962 C CG . ASP A 1 119 ? 12.145 41.150 100.441 1.00 31.69 ? 119 ASP A CG 1 ATOM 963 O OD1 . ASP A 1 119 ? 13.240 40.840 100.963 1.00 31.11 ? 119 ASP A OD1 1 ATOM 964 O OD2 . ASP A 1 119 ? 11.982 41.407 99.198 1.00 32.25 ? 119 ASP A OD2 1 ATOM 965 N N . GLY A 1 120 ? 12.063 38.650 103.463 1.00 31.67 ? 120 GLY A N 1 ATOM 966 C CA . GLY A 1 120 ? 12.219 37.190 103.555 1.00 31.86 ? 120 GLY A CA 1 ATOM 967 C C . GLY A 1 120 ? 12.403 36.601 102.146 1.00 31.81 ? 120 GLY A C 1 ATOM 968 O O . GLY A 1 120 ? 11.817 35.542 101.811 1.00 32.25 ? 120 GLY A O 1 ATOM 969 N N . SER A 1 121 ? 13.191 37.300 101.348 1.00 31.12 ? 121 SER A N 1 ATOM 970 C CA . SER A 1 121 ? 13.430 36.787 99.970 1.00 30.46 ? 121 SER A CA 1 ATOM 971 C C . SER A 1 121 ? 14.274 35.512 100.236 1.00 30.19 ? 121 SER A C 1 ATOM 972 O O . SER A 1 121 ? 14.997 35.524 101.266 1.00 29.20 ? 121 SER A O 1 ATOM 973 C CB . SER A 1 121 ? 13.934 37.791 98.918 1.00 29.78 ? 121 SER A CB 1 ATOM 974 O OG . SER A 1 121 ? 15.318 37.937 98.730 1.00 28.42 ? 121 SER A OG 1 ATOM 975 N N . ILE A 1 122 ? 14.035 34.552 99.304 1.00 30.06 ? 122 ILE A N 1 ATOM 976 C CA . ILE A 1 122 ? 14.663 33.239 99.352 1.00 29.83 ? 122 ILE A CA 1 ATOM 977 C C . ILE A 1 122 ? 16.171 33.245 99.301 1.00 29.87 ? 122 ILE A C 1 ATOM 978 O O . ILE A 1 122 ? 16.811 32.384 99.924 1.00 30.45 ? 122 ILE A O 1 ATOM 979 C CB . ILE A 1 122 ? 14.125 32.170 98.346 1.00 29.49 ? 122 ILE A CB 1 ATOM 980 C CG1 . ILE A 1 122 ? 14.031 32.698 96.889 1.00 31.30 ? 122 ILE A CG1 1 ATOM 981 C CG2 . ILE A 1 122 ? 12.704 31.727 98.723 1.00 30.41 ? 122 ILE A CG2 1 ATOM 982 C CD1 . ILE A 1 122 ? 15.281 32.491 96.004 1.00 31.31 ? 122 ILE A CD1 1 ATOM 983 N N . THR A 1 123 ? 16.771 34.182 98.639 1.00 29.27 ? 123 THR A N 1 ATOM 984 C CA . THR A 1 123 ? 18.227 34.134 98.535 1.00 29.39 ? 123 THR A CA 1 ATOM 985 C C . THR A 1 123 ? 18.973 34.917 99.684 1.00 29.48 ? 123 THR A C 1 ATOM 986 O O . THR A 1 123 ? 20.189 35.103 99.604 1.00 29.76 ? 123 THR A O 1 ATOM 987 C CB . THR A 1 123 ? 18.598 34.618 97.152 1.00 29.39 ? 123 THR A CB 1 ATOM 988 O OG1 . THR A 1 123 ? 17.870 35.797 96.894 1.00 30.69 ? 123 THR A OG1 1 ATOM 989 C CG2 . THR A 1 123 ? 18.244 33.588 96.048 1.00 29.22 ? 123 THR A CG2 1 ATOM 990 N N . GLY A 1 124 ? 18.231 35.358 100.738 1.00 29.57 ? 124 GLY A N 1 ATOM 991 C CA . GLY A 1 124 ? 18.825 35.984 101.993 1.00 29.66 ? 124 GLY A CA 1 ATOM 992 C C . GLY A 1 124 ? 18.930 37.519 102.076 1.00 28.99 ? 124 GLY A C 1 ATOM 993 O O . GLY A 1 124 ? 18.424 38.256 101.218 1.00 28.23 ? 124 GLY A O 1 ATOM 994 N N . PRO A 1 125 ? 19.634 38.016 103.148 1.00 28.81 ? 125 PRO A N 1 ATOM 995 C CA . PRO A 1 125 ? 19.806 39.448 103.386 1.00 28.96 ? 125 PRO A CA 1 ATOM 996 C C . PRO A 1 125 ? 20.418 40.090 102.176 1.00 28.76 ? 125 PRO A C 1 ATOM 997 O O . PRO A 1 125 ? 21.470 39.593 101.690 1.00 28.89 ? 125 PRO A O 1 ATOM 998 C CB . PRO A 1 125 ? 20.696 39.510 104.618 1.00 28.73 ? 125 PRO A CB 1 ATOM 999 C CG . PRO A 1 125 ? 20.975 38.079 105.070 1.00 28.58 ? 125 PRO A CG 1 ATOM 1000 C CD . PRO A 1 125 ? 20.268 37.137 104.146 1.00 28.54 ? 125 PRO A CD 1 ATOM 1001 N N . TRP A 1 126 ? 19.758 41.153 101.736 1.00 28.18 ? 126 TRP A N 1 ATOM 1002 C CA . TRP A 1 126 ? 20.144 41.924 100.529 1.00 28.23 ? 126 TRP A CA 1 ATOM 1003 C C . TRP A 1 126 ? 19.958 43.422 100.724 1.00 28.61 ? 126 TRP A C 1 ATOM 1004 O O . TRP A 1 126 ? 19.551 43.922 101.748 1.00 28.68 ? 126 TRP A O 1 ATOM 1005 C CB . TRP A 1 126 ? 19.207 41.584 99.403 1.00 27.70 ? 126 TRP A CB 1 ATOM 1006 C CG . TRP A 1 126 ? 17.776 41.877 99.839 1.00 27.43 ? 126 TRP A CG 1 ATOM 1007 C CD1 . TRP A 1 126 ? 17.017 41.120 100.638 1.00 27.50 ? 126 TRP A CD1 1 ATOM 1008 C CD2 . TRP A 1 126 ? 17.025 43.018 99.470 1.00 27.89 ? 126 TRP A CD2 1 ATOM 1009 N NE1 . TRP A 1 126 ? 15.762 41.788 100.781 1.00 27.72 ? 126 TRP A NE1 1 ATOM 1010 C CE2 . TRP A 1 126 ? 15.787 42.901 100.087 1.00 28.58 ? 126 TRP A CE2 1 ATOM 1011 C CE3 . TRP A 1 126 ? 17.287 44.134 98.668 1.00 27.82 ? 126 TRP A CE3 1 ATOM 1012 C CZ2 . TRP A 1 126 ? 14.772 43.852 99.947 1.00 28.59 ? 126 TRP A CZ2 1 ATOM 1013 C CZ3 . TRP A 1 126 ? 16.259 45.087 98.531 1.00 27.73 ? 126 TRP A CZ3 1 ATOM 1014 C CH2 . TRP A 1 126 ? 15.060 44.952 99.141 1.00 28.52 ? 126 TRP A CH2 1 ATOM 1015 N N . CYS A 1 127 ? 20.181 44.152 99.699 1.00 28.81 ? 127 CYS A N 1 ATOM 1016 C CA . CYS A 1 127 ? 20.073 45.599 99.759 1.00 28.95 ? 127 CYS A CA 1 ATOM 1017 C C . CYS A 1 127 ? 19.955 46.152 98.381 1.00 28.83 ? 127 CYS A C 1 ATOM 1018 O O . CYS A 1 127 ? 20.008 45.402 97.406 1.00 28.86 ? 127 CYS A O 1 ATOM 1019 C CB . CYS A 1 127 ? 21.344 46.151 100.357 1.00 28.68 ? 127 CYS A CB 1 ATOM 1020 S SG . CYS A 1 127 ? 22.764 46.010 99.165 1.00 27.44 ? 127 CYS A SG 1 ATOM 1021 N N . TYR A 1 128 ? 19.805 47.452 98.335 1.00 29.03 ? 128 TYR A N 1 ATOM 1022 C CA . TYR A 1 128 ? 19.729 48.151 97.062 1.00 29.86 ? 128 TYR A CA 1 ATOM 1023 C C . TYR A 1 128 ? 21.165 48.476 96.666 1.00 29.99 ? 128 TYR A C 1 ATOM 1024 O O . TYR A 1 128 ? 22.016 48.790 97.533 1.00 30.08 ? 128 TYR A O 1 ATOM 1025 C CB . TYR A 1 128 ? 18.881 49.418 97.199 1.00 30.02 ? 128 TYR A CB 1 ATOM 1026 C CG . TYR A 1 128 ? 17.371 49.145 97.374 1.00 31.22 ? 128 TYR A CG 1 ATOM 1027 C CD1 . TYR A 1 128 ? 16.558 48.797 96.265 1.00 31.36 ? 128 TYR A CD1 1 ATOM 1028 C CD2 . TYR A 1 128 ? 16.797 49.242 98.643 1.00 31.57 ? 128 TYR A CD2 1 ATOM 1029 C CE1 . TYR A 1 128 ? 15.174 48.577 96.449 1.00 31.66 ? 128 TYR A CE1 1 ATOM 1030 C CE2 . TYR A 1 128 ? 15.426 49.029 98.820 1.00 32.46 ? 128 TYR A CE2 1 ATOM 1031 C CZ . TYR A 1 128 ? 14.616 48.705 97.733 1.00 32.56 ? 128 TYR A CZ 1 ATOM 1032 O OH . TYR A 1 128 ? 13.281 48.531 97.944 1.00 33.42 ? 128 TYR A OH 1 ATOM 1033 N N . THR A 1 129 ? 21.449 48.390 95.364 1.00 30.26 ? 129 THR A N 1 ATOM 1034 C CA . THR A 1 129 ? 22.809 48.664 94.924 1.00 30.73 ? 129 THR A CA 1 ATOM 1035 C C . THR A 1 129 ? 22.947 50.037 94.258 1.00 30.76 ? 129 THR A C 1 ATOM 1036 O O . THR A 1 129 ? 22.040 50.710 93.785 1.00 29.92 ? 129 THR A O 1 ATOM 1037 C CB . THR A 1 129 ? 23.408 47.589 93.993 1.00 31.03 ? 129 THR A CB 1 ATOM 1038 O OG1 . THR A 1 129 ? 22.631 47.429 92.825 1.00 31.02 ? 129 THR A OG1 1 ATOM 1039 C CG2 . THR A 1 129 ? 23.525 46.214 94.683 1.00 29.65 ? 129 THR A CG2 1 ATOM 1040 N N . THR A 1 130 ? 24.218 50.384 94.336 1.00 31.63 ? 130 THR A N 1 ATOM 1041 C CA . THR A 1 130 ? 24.738 51.596 93.702 1.00 32.95 ? 130 THR A CA 1 ATOM 1042 C C . THR A 1 130 ? 24.517 51.574 92.180 1.00 33.70 ? 130 THR A C 1 ATOM 1043 O O . THR A 1 130 ? 24.020 52.550 91.583 1.00 33.76 ? 130 THR A O 1 ATOM 1044 C CB . THR A 1 130 ? 26.273 51.728 94.094 1.00 32.64 ? 130 THR A CB 1 ATOM 1045 O OG1 . THR A 1 130 ? 26.214 52.141 95.481 1.00 33.06 ? 130 THR A OG1 1 ATOM 1046 C CG2 . THR A 1 130 ? 27.039 52.669 93.155 1.00 33.03 ? 130 THR A CG2 1 ATOM 1047 N N . SER A 1 131 ? 24.961 50.500 91.541 1.00 34.51 ? 131 SER A N 1 ATOM 1048 C CA . SER A 1 131 ? 24.890 50.321 90.108 1.00 35.61 ? 131 SER A CA 1 ATOM 1049 C C . SER A 1 131 ? 23.476 50.705 89.655 1.00 36.42 ? 131 SER A C 1 ATOM 1050 O O . SER A 1 131 ? 22.549 50.049 90.118 1.00 36.16 ? 131 SER A O 1 ATOM 1051 C CB . SER A 1 131 ? 25.112 48.930 89.554 1.00 36.34 ? 131 SER A CB 1 ATOM 1052 O OG . SER A 1 131 ? 26.365 48.918 88.875 1.00 37.62 ? 131 SER A OG 1 ATOM 1053 N N . PRO A 1 132 ? 23.492 51.726 88.803 1.00 37.18 ? 132 PRO A N 1 ATOM 1054 C CA . PRO A 1 132 ? 22.228 52.216 88.226 1.00 37.22 ? 132 PRO A CA 1 ATOM 1055 C C . PRO A 1 132 ? 21.673 51.015 87.456 1.00 38.04 ? 132 PRO A C 1 ATOM 1056 O O . PRO A 1 132 ? 20.489 50.832 87.195 1.00 38.06 ? 132 PRO A O 1 ATOM 1057 C CB . PRO A 1 132 ? 22.636 53.397 87.377 1.00 36.91 ? 132 PRO A CB 1 ATOM 1058 C CG . PRO A 1 132 ? 24.127 53.551 87.466 1.00 36.60 ? 132 PRO A CG 1 ATOM 1059 C CD . PRO A 1 132 ? 24.682 52.468 88.335 1.00 36.78 ? 132 PRO A CD 1 ATOM 1060 N N . THR A 1 133 ? 22.626 50.176 87.107 1.00 38.97 ? 133 THR A N 1 ATOM 1061 C CA . THR A 1 133 ? 22.666 48.924 86.401 1.00 39.97 ? 133 THR A CA 1 ATOM 1062 C C . THR A 1 133 ? 21.809 47.820 87.056 1.00 40.25 ? 133 THR A C 1 ATOM 1063 O O . THR A 1 133 ? 20.905 47.241 86.405 1.00 40.70 ? 133 THR A O 1 ATOM 1064 C CB . THR A 1 133 ? 24.170 48.370 86.373 1.00 40.76 ? 133 THR A CB 1 ATOM 1065 O OG1 . THR A 1 133 ? 25.067 49.476 86.743 1.00 41.07 ? 133 THR A OG1 1 ATOM 1066 C CG2 . THR A 1 133 ? 24.581 47.696 85.056 1.00 40.66 ? 133 THR A CG2 1 ATOM 1067 N N . LEU A 1 134 ? 22.172 47.565 88.314 1.00 39.52 ? 134 LEU A N 1 ATOM 1068 C CA . LEU A 1 134 ? 21.536 46.539 89.141 1.00 39.06 ? 134 LEU A CA 1 ATOM 1069 C C . LEU A 1 134 ? 20.936 47.137 90.414 1.00 39.03 ? 134 LEU A C 1 ATOM 1070 O O . LEU A 1 134 ? 21.654 47.653 91.283 1.00 38.40 ? 134 LEU A O 1 ATOM 1071 C CB . LEU A 1 134 ? 22.632 45.499 89.415 1.00 38.98 ? 134 LEU A CB 1 ATOM 1072 C CG . LEU A 1 134 ? 22.140 44.118 89.850 1.00 39.39 ? 134 LEU A CG 1 ATOM 1073 C CD1 . LEU A 1 134 ? 22.589 43.753 91.269 1.00 39.60 ? 134 LEU A CD1 1 ATOM 1074 C CD2 . LEU A 1 134 ? 20.621 43.979 89.834 1.00 39.05 ? 134 LEU A CD2 1 ATOM 1075 N N . ARG A 1 135 ? 19.634 47.004 90.421 1.00 39.12 ? 135 ARG A N 1 ATOM 1076 C CA . ARG A 1 135 ? 18.724 47.471 91.466 1.00 39.51 ? 135 ARG A CA 1 ATOM 1077 C C . ARG A 1 135 ? 19.090 46.915 92.849 1.00 40.34 ? 135 ARG A C 1 ATOM 1078 O O . ARG A 1 135 ? 19.669 47.617 93.693 1.00 40.94 ? 135 ARG A O 1 ATOM 1079 C CB . ARG A 1 135 ? 17.338 46.965 91.116 1.00 39.60 ? 135 ARG A CB 1 ATOM 1080 C CG . ARG A 1 135 ? 16.253 47.979 91.347 1.00 39.94 ? 135 ARG A CG 1 ATOM 1081 C CD . ARG A 1 135 ? 15.310 47.568 92.461 1.00 40.83 ? 135 ARG A CD 1 ATOM 1082 N NE . ARG A 1 135 ? 14.674 48.730 92.985 1.00 42.16 ? 135 ARG A NE 1 ATOM 1083 C CZ . ARG A 1 135 ? 13.427 49.121 92.781 1.00 42.78 ? 135 ARG A CZ 1 ATOM 1084 N NH1 . ARG A 1 135 ? 12.528 48.384 92.117 1.00 42.71 ? 135 ARG A NH1 1 ATOM 1085 N NH2 . ARG A 1 135 ? 13.009 50.310 93.166 1.00 42.61 ? 135 ARG A NH2 1 ATOM 1086 N N . ARG A 1 136 ? 18.718 45.659 93.051 1.00 40.61 ? 136 ARG A N 1 ATOM 1087 C CA . ARG A 1 136 ? 18.958 44.955 94.324 1.00 40.43 ? 136 ARG A CA 1 ATOM 1088 C C . ARG A 1 136 ? 19.646 43.615 94.086 1.00 40.66 ? 136 ARG A C 1 ATOM 1089 O O . ARG A 1 136 ? 19.562 43.024 93.000 1.00 40.96 ? 136 ARG A O 1 ATOM 1090 C CB . ARG A 1 136 ? 17.643 44.694 95.059 1.00 40.49 ? 136 ARG A CB 1 ATOM 1091 C CG . ARG A 1 136 ? 16.491 44.274 94.146 1.00 41.25 ? 136 ARG A CG 1 ATOM 1092 C CD . ARG A 1 136 ? 15.215 43.964 94.932 1.00 42.19 ? 136 ARG A CD 1 ATOM 1093 N NE . ARG A 1 136 ? 15.441 42.974 95.995 1.00 43.25 ? 136 ARG A NE 1 ATOM 1094 C CZ . ARG A 1 136 ? 14.474 42.417 96.737 1.00 42.95 ? 136 ARG A CZ 1 ATOM 1095 N NH1 . ARG A 1 136 ? 13.187 42.744 96.561 1.00 42.77 ? 136 ARG A NH1 1 ATOM 1096 N NH2 . ARG A 1 136 ? 14.702 41.504 97.691 1.00 42.86 ? 136 ARG A NH2 1 ATOM 1097 N N . GLU A 1 137 ? 20.299 43.148 95.130 1.00 40.64 ? 137 GLU A N 1 ATOM 1098 C CA . GLU A 1 137 ? 21.063 41.909 95.056 1.00 40.69 ? 137 GLU A CA 1 ATOM 1099 C C . GLU A 1 137 ? 21.525 41.446 96.443 1.00 40.73 ? 137 GLU A C 1 ATOM 1100 O O . GLU A 1 137 ? 21.817 42.268 97.326 1.00 41.03 ? 137 GLU A O 1 ATOM 1101 C CB . GLU A 1 137 ? 22.285 42.149 94.181 1.00 41.10 ? 137 GLU A CB 1 ATOM 1102 C CG . GLU A 1 137 ? 23.062 40.878 93.877 1.00 41.88 ? 137 GLU A CG 1 ATOM 1103 C CD . GLU A 1 137 ? 24.550 41.137 93.677 1.00 42.82 ? 137 GLU A CD 1 ATOM 1104 O OE1 . GLU A 1 137 ? 25.214 41.784 94.571 1.00 42.99 ? 137 GLU A OE1 1 ATOM 1105 O OE2 . GLU A 1 137 ? 25.137 40.708 92.615 1.00 44.55 ? 137 GLU A OE2 1 ATOM 1106 N N . GLU A 1 138 ? 21.571 40.130 96.532 1.00 40.32 ? 138 GLU A N 1 ATOM 1107 C CA . GLU A 1 138 ? 21.964 39.372 97.727 1.00 39.98 ? 138 GLU A CA 1 ATOM 1108 C C . GLU A 1 138 ? 23.330 39.796 98.266 1.00 38.50 ? 138 GLU A C 1 ATOM 1109 O O . GLU A 1 138 ? 24.206 40.233 97.509 1.00 38.07 ? 138 GLU A O 1 ATOM 1110 C CB . GLU A 1 138 ? 22.123 37.889 97.374 1.00 42.50 ? 138 GLU A CB 1 ATOM 1111 C CG . GLU A 1 138 ? 20.959 37.310 96.563 1.00 45.59 ? 138 GLU A CG 1 ATOM 1112 C CD . GLU A 1 138 ? 20.773 37.937 95.174 1.00 47.30 ? 138 GLU A CD 1 ATOM 1113 O OE1 . GLU A 1 138 ? 21.343 39.054 94.875 1.00 49.18 ? 138 GLU A OE1 1 ATOM 1114 O OE2 . GLU A 1 138 ? 20.031 37.344 94.301 1.00 48.06 ? 138 GLU A OE2 1 ATOM 1115 N N . CYS A 1 139 ? 23.448 39.632 99.568 1.00 37.42 ? 139 CYS A N 1 ATOM 1116 C CA . CYS A 1 139 ? 24.691 39.872 100.312 1.00 36.95 ? 139 CYS A CA 1 ATOM 1117 C C . CYS A 1 139 ? 25.176 38.490 100.901 1.00 37.36 ? 139 CYS A C 1 ATOM 1118 O O . CYS A 1 139 ? 24.391 37.515 100.996 1.00 37.10 ? 139 CYS A O 1 ATOM 1119 C CB . CYS A 1 139 ? 24.446 40.793 101.513 1.00 34.79 ? 139 CYS A CB 1 ATOM 1120 S SG . CYS A 1 139 ? 24.100 42.559 101.060 1.00 32.91 ? 139 CYS A SG 1 ATOM 1121 N N . SER A 1 140 ? 26.449 38.425 101.282 1.00 37.83 ? 140 SER A N 1 ATOM 1122 C CA . SER A 1 140 ? 27.029 37.205 101.862 1.00 38.29 ? 140 SER A CA 1 ATOM 1123 C C . SER A 1 140 ? 27.228 37.461 103.372 1.00 38.69 ? 140 SER A C 1 ATOM 1124 O O . SER A 1 140 ? 28.242 38.008 103.841 1.00 38.37 ? 140 SER A O 1 ATOM 1125 C CB . SER A 1 140 ? 28.383 36.729 101.334 1.00 37.76 ? 140 SER A CB 1 ATOM 1126 O OG . SER A 1 140 ? 29.260 37.820 101.556 1.00 39.02 ? 140 SER A OG 1 ATOM 1127 N N . VAL A 1 141 ? 26.165 37.050 104.064 1.00 39.11 ? 141 VAL A N 1 ATOM 1128 C CA . VAL A 1 141 ? 26.126 37.177 105.527 1.00 39.25 ? 141 VAL A CA 1 ATOM 1129 C C . VAL A 1 141 ? 26.333 35.776 106.118 1.00 39.45 ? 141 VAL A C 1 ATOM 1130 O O . VAL A 1 141 ? 25.883 34.794 105.511 1.00 39.48 ? 141 VAL A O 1 ATOM 1131 C CB . VAL A 1 141 ? 24.823 37.839 105.989 1.00 38.56 ? 141 VAL A CB 1 ATOM 1132 C CG1 . VAL A 1 141 ? 24.821 38.091 107.484 1.00 37.88 ? 141 VAL A CG1 1 ATOM 1133 C CG2 . VAL A 1 141 ? 24.542 39.112 105.216 1.00 38.55 ? 141 VAL A CG2 1 ATOM 1134 N N . PRO A 1 142 ? 27.041 35.788 107.229 1.00 39.85 ? 142 PRO A N 1 ATOM 1135 C CA . PRO A 1 142 ? 27.354 34.557 107.957 1.00 40.17 ? 142 PRO A CA 1 ATOM 1136 C C . PRO A 1 142 ? 26.023 33.963 108.428 1.00 40.67 ? 142 PRO A C 1 ATOM 1137 O O . PRO A 1 142 ? 25.015 34.648 108.619 1.00 40.14 ? 142 PRO A O 1 ATOM 1138 C CB . PRO A 1 142 ? 28.274 34.949 109.085 1.00 40.14 ? 142 PRO A CB 1 ATOM 1139 C CG . PRO A 1 142 ? 28.443 36.432 109.058 1.00 39.67 ? 142 PRO A CG 1 ATOM 1140 C CD . PRO A 1 142 ? 27.635 36.965 107.892 1.00 39.94 ? 142 PRO A CD 1 ATOM 1141 N N . VAL A 1 143 ? 26.096 32.648 108.508 1.00 41.34 ? 143 VAL A N 1 ATOM 1142 C CA . VAL A 1 143 ? 24.977 31.763 108.891 1.00 41.81 ? 143 VAL A CA 1 ATOM 1143 C C . VAL A 1 143 ? 25.149 31.413 110.368 1.00 42.69 ? 143 VAL A C 1 ATOM 1144 O O . VAL A 1 143 ? 26.305 31.242 110.836 1.00 42.56 ? 143 VAL A O 1 ATOM 1145 C CB . VAL A 1 143 ? 25.058 30.633 107.836 1.00 41.29 ? 143 VAL A CB 1 ATOM 1146 C CG1 . VAL A 1 143 ? 23.816 29.786 107.711 1.00 40.75 ? 143 VAL A CG1 1 ATOM 1147 C CG2 . VAL A 1 143 ? 25.406 31.206 106.455 1.00 41.10 ? 143 VAL A CG2 1 ATOM 1148 N N . CYS A 1 144 ? 24.027 31.380 111.092 1.00 43.19 ? 144 CYS A N 1 ATOM 1149 C CA . CYS A 1 144 ? 24.007 31.018 112.531 1.00 43.49 ? 144 CYS A CA 1 ATOM 1150 C C . CYS A 1 144 ? 24.451 29.622 112.822 1.00 44.00 ? 144 CYS A C 1 ATOM 1151 O O . CYS A 1 144 ? 23.805 28.682 112.300 1.00 44.24 ? 144 CYS A O 1 ATOM 1152 C CB . CYS A 1 144 ? 22.598 31.253 113.077 1.00 42.86 ? 144 CYS A CB 1 ATOM 1153 S SG . CYS A 1 144 ? 22.200 33.053 113.283 1.00 42.41 ? 144 CYS A SG 1 ATOM 1154 N N . GLY A 1 145 ? 25.485 29.524 113.659 1.00 44.29 ? 145 GLY A N 1 ATOM 1155 C CA . GLY A 1 145 ? 26.094 28.208 113.982 1.00 44.42 ? 145 GLY A CA 1 ATOM 1156 C C . GLY A 1 145 ? 26.668 27.645 112.652 1.00 44.52 ? 145 GLY A C 1 ATOM 1157 O O . GLY A 1 145 ? 27.918 27.535 112.578 1.00 44.74 ? 145 GLY A O 1 ATOM 1158 O OXT . GLY A 1 145 ? 25.950 27.367 111.672 1.00 44.12 ? 145 GLY A OXT 1 HETATM 1159 C C1 . NAG B 2 . ? 9.831 55.410 101.833 0.60 57.05 ? 161 NAG A C1 1 HETATM 1160 C C2 . NAG B 2 . ? 8.567 56.162 101.389 0.60 57.26 ? 161 NAG A C2 1 HETATM 1161 C C3 . NAG B 2 . ? 8.884 57.632 101.174 0.60 57.23 ? 161 NAG A C3 1 HETATM 1162 C C4 . NAG B 2 . ? 9.502 58.228 102.427 0.60 57.23 ? 161 NAG A C4 1 HETATM 1163 C C5 . NAG B 2 . ? 10.781 57.458 102.760 0.60 57.11 ? 161 NAG A C5 1 HETATM 1164 C C6 . NAG B 2 . ? 11.492 57.958 103.997 0.60 57.01 ? 161 NAG A C6 1 HETATM 1165 C C7 . NAG B 2 . ? 6.829 54.971 100.161 0.60 57.71 ? 161 NAG A C7 1 HETATM 1166 C C8 . NAG B 2 . ? 6.826 53.706 101.011 0.60 57.64 ? 161 NAG A C8 1 HETATM 1167 N N2 . NAG B 2 . ? 8.057 55.556 100.173 0.60 57.53 ? 161 NAG A N2 1 HETATM 1168 O O3 . NAG B 2 . ? 7.661 58.315 100.904 0.60 57.40 ? 161 NAG A O3 1 HETATM 1169 O O4 . NAG B 2 . ? 9.863 59.604 102.197 0.60 57.57 ? 161 NAG A O4 1 HETATM 1170 O O5 . NAG B 2 . ? 10.427 56.069 102.980 0.60 57.29 ? 161 NAG A O5 1 HETATM 1171 O O6 . NAG B 2 . ? 12.886 57.802 103.893 0.60 56.62 ? 161 NAG A O6 1 HETATM 1172 O O7 . NAG B 2 . ? 5.792 55.683 100.101 0.60 58.05 ? 161 NAG A O7 1 HETATM 1173 SR SR . SR C 3 . ? -2.962 44.994 127.104 1.00 35.19 ? 171 SR A SR 1 HETATM 1174 SR SR . SR D 3 . ? -2.103 40.696 129.002 1.00 42.48 ? 172 SR A SR 1 HETATM 1175 SR SR . SR E 3 . ? 1.681 40.701 130.828 1.00 41.41 ? 173 SR A SR 1 HETATM 1176 SR SR . SR F 3 . ? 1.638 36.606 130.238 1.00 43.58 ? 174 SR A SR 1 HETATM 1177 SR SR . SR G 3 . ? 3.459 33.441 132.054 1.00 39.08 ? 175 SR A SR 1 HETATM 1178 SR SR . SR H 3 . ? 7.184 30.115 133.134 0.66 37.37 ? 176 SR A SR 1 HETATM 1179 SR SR . SR I 3 . ? 15.669 32.845 132.590 0.63 34.16 ? 177 SR A SR 1 HETATM 1180 SR SR . SR J 3 . ? 2.502 47.079 131.429 0.43 33.80 ? 178 SR A SR 1 HETATM 1181 O O . HOH K 4 . ? 2.629 37.205 134.318 0.69 20.94 ? 181 HOH A O 1 HETATM 1182 O O . HOH K 4 . ? 21.225 28.850 109.730 1.00 19.66 ? 182 HOH A O 1 HETATM 1183 O O . HOH K 4 . ? 23.328 32.416 125.078 0.87 27.05 ? 184 HOH A O 1 HETATM 1184 O O . HOH K 4 . ? 19.782 49.563 100.039 0.81 24.33 ? 185 HOH A O 1 HETATM 1185 O O . HOH K 4 . ? 11.025 58.370 88.600 0.99 22.67 ? 186 HOH A O 1 HETATM 1186 O O . HOH K 4 . ? 24.249 36.754 116.845 0.65 25.59 ? 187 HOH A O 1 HETATM 1187 O O . HOH K 4 . ? 30.742 53.675 94.019 0.75 26.86 ? 188 HOH A O 1 HETATM 1188 O O . HOH K 4 . ? 7.953 27.443 122.017 0.88 25.57 ? 189 HOH A O 1 HETATM 1189 O O . HOH K 4 . ? 10.122 32.053 111.146 0.72 44.25 ? 190 HOH A O 1 HETATM 1190 O O . HOH K 4 . ? -3.365 39.267 125.725 1.00 43.53 ? 191 HOH A O 1 HETATM 1191 O O . HOH K 4 . ? 3.181 35.251 137.312 0.71 29.91 ? 192 HOH A O 1 HETATM 1192 O O . HOH K 4 . ? 27.685 49.469 114.392 0.62 35.70 ? 193 HOH A O 1 HETATM 1193 O O . HOH K 4 . ? 15.696 35.427 94.335 1.00 30.99 ? 195 HOH A O 1 HETATM 1194 O O . HOH K 4 . ? 19.724 58.863 91.091 0.88 44.60 ? 196 HOH A O 1 HETATM 1195 O O . HOH K 4 . ? 20.633 44.327 121.426 1.00 57.32 ? 198 HOH A O 1 HETATM 1196 O O . HOH K 4 . ? 3.985 45.816 132.544 0.94 25.15 ? 199 HOH A O 1 HETATM 1197 O O . HOH K 4 . ? 14.565 27.662 124.368 0.65 43.25 ? 200 HOH A O 1 HETATM 1198 O O . HOH K 4 . ? -1.164 43.929 136.395 0.53 11.85 ? 201 HOH A O 1 HETATM 1199 O O . HOH K 4 . ? 9.066 55.275 97.193 0.55 31.20 ? 203 HOH A O 1 HETATM 1200 O O . HOH K 4 . ? 31.587 48.267 95.878 0.86 53.63 ? 204 HOH A O 1 HETATM 1201 O O . HOH K 4 . ? 14.972 29.973 128.434 0.55 17.26 ? 205 HOH A O 1 HETATM 1202 O O . HOH K 4 . ? 8.212 42.570 98.298 0.78 33.69 ? 206 HOH A O 1 HETATM 1203 O O . HOH K 4 . ? 6.583 55.798 117.249 0.50 36.79 ? 207 HOH A O 1 HETATM 1204 O O . HOH K 4 . ? 18.301 40.881 97.055 0.77 39.14 ? 208 HOH A O 1 HETATM 1205 O O . HOH K 4 . ? 16.475 54.166 106.441 0.65 33.28 ? 209 HOH A O 1 HETATM 1206 O O . HOH K 4 . ? 27.799 26.304 109.733 0.94 45.27 ? 210 HOH A O 1 HETATM 1207 O O . HOH K 4 . ? 11.920 33.044 119.191 0.86 20.38 ? 211 HOH A O 1 HETATM 1208 O O . HOH K 4 . ? 10.545 50.369 130.997 1.00 59.81 ? 212 HOH A O 1 HETATM 1209 O O . HOH K 4 . ? 11.133 51.507 94.084 0.71 23.19 ? 213 HOH A O 1 HETATM 1210 O O . HOH K 4 . ? 27.014 40.849 118.981 1.00 62.18 ? 214 HOH A O 1 HETATM 1211 O O . HOH K 4 . ? 19.349 56.023 108.988 0.78 25.14 ? 217 HOH A O 1 HETATM 1212 O O . HOH K 4 . ? 22.904 47.515 117.367 0.52 36.76 ? 219 HOH A O 1 HETATM 1213 O O . HOH K 4 . ? 22.208 36.417 122.905 0.94 27.65 ? 221 HOH A O 1 HETATM 1214 O O . HOH K 4 . ? 25.964 32.263 119.724 0.72 38.46 ? 223 HOH A O 1 HETATM 1215 O O . HOH K 4 . ? -4.066 28.044 140.758 0.72 39.51 ? 226 HOH A O 1 HETATM 1216 O O . HOH K 4 . ? 15.627 34.604 110.447 0.83 9.83 ? 227 HOH A O 1 HETATM 1217 O O . HOH K 4 . ? 0.987 44.932 115.094 0.75 11.85 ? 230 HOH A O 1 HETATM 1218 O O . HOH K 4 . ? 6.545 56.937 104.181 0.68 22.92 ? 232 HOH A O 1 HETATM 1219 O O . HOH K 4 . ? 10.915 55.427 89.688 0.52 41.44 ? 243 HOH A O 1 HETATM 1220 O O . HOH K 4 . ? 22.757 24.986 122.954 1.00 39.94 ? 244 HOH A O 1 HETATM 1221 O O . HOH K 4 . ? 16.801 30.039 101.345 0.74 35.55 ? 247 HOH A O 1 HETATM 1222 O O . HOH K 4 . ? 21.795 56.370 106.742 0.97 46.83 ? 251 HOH A O 1 HETATM 1223 O O . HOH K 4 . ? 28.716 53.506 98.659 0.93 38.08 ? 252 HOH A O 1 HETATM 1224 O O . HOH K 4 . ? 11.515 50.615 115.496 0.61 28.23 ? 258 HOH A O 1 HETATM 1225 O O . HOH K 4 . ? 22.813 28.258 114.927 0.72 48.16 ? 259 HOH A O 1 HETATM 1226 O O . HOH K 4 . ? 9.250 25.392 120.935 0.63 34.46 ? 266 HOH A O 1 HETATM 1227 O O . HOH K 4 . ? 13.100 53.280 89.735 0.81 22.84 ? 267 HOH A O 1 HETATM 1228 O O . HOH K 4 . ? -6.583 28.588 137.841 0.68 43.33 ? 268 HOH A O 1 HETATM 1229 O O . HOH K 4 . ? 30.407 46.707 110.538 1.00 34.77 ? 271 HOH A O 1 HETATM 1230 O O . HOH K 4 . ? 8.937 45.663 109.601 0.63 12.67 ? 272 HOH A O 1 HETATM 1231 O O . HOH K 4 . ? 0.979 28.195 129.486 0.84 20.95 ? 275 HOH A O 1 HETATM 1232 O O . HOH K 4 . ? 17.820 43.740 90.423 0.51 22.94 ? 276 HOH A O 1 HETATM 1233 O O . HOH K 4 . ? 6.806 45.635 114.208 0.64 35.14 ? 279 HOH A O 1 HETATM 1234 O O . HOH K 4 . ? 11.614 34.354 106.263 0.55 38.42 ? 280 HOH A O 1 HETATM 1235 O O . HOH K 4 . ? -5.633 36.838 126.126 0.62 21.35 ? 282 HOH A O 1 HETATM 1236 O O . HOH K 4 . ? 30.745 41.809 117.116 0.82 26.83 ? 286 HOH A O 1 HETATM 1237 O O . HOH K 4 . ? 9.263 37.418 136.759 0.98 33.76 ? 287 HOH A O 1 HETATM 1238 O O . HOH K 4 . ? 7.334 62.107 92.784 0.60 39.45 ? 289 HOH A O 1 HETATM 1239 O O . HOH K 4 . ? 3.202 25.716 123.513 0.66 28.29 ? 292 HOH A O 1 HETATM 1240 O O . HOH K 4 . ? 25.148 45.873 87.484 0.59 29.88 ? 294 HOH A O 1 HETATM 1241 O O . HOH K 4 . ? 4.162 46.291 101.309 0.69 22.91 ? 299 HOH A O 1 HETATM 1242 O O . HOH K 4 . ? 30.704 43.253 119.275 0.76 11.00 ? 306 HOH A O 1 HETATM 1243 O O . HOH K 4 . ? 31.066 40.075 103.526 0.60 26.12 ? 309 HOH A O 1 HETATM 1244 O O . HOH K 4 . ? 9.701 56.189 119.592 0.57 13.53 ? 320 HOH A O 1 HETATM 1245 O O . HOH K 4 . ? 6.169 42.220 101.650 0.55 43.88 ? 321 HOH A O 1 HETATM 1246 O O . HOH K 4 . ? 20.557 39.676 92.089 0.74 21.39 ? 322 HOH A O 1 HETATM 1247 O O . HOH K 4 . ? 28.950 61.835 104.969 0.82 35.44 ? 324 HOH A O 1 HETATM 1248 O O . HOH K 4 . ? 13.049 46.245 128.460 0.66 26.25 ? 326 HOH A O 1 HETATM 1249 O O . HOH K 4 . ? 11.495 27.654 131.077 0.63 32.59 ? 333 HOH A O 1 HETATM 1250 O O . HOH K 4 . ? 28.364 31.943 111.409 0.92 38.94 ? 336 HOH A O 1 HETATM 1251 O O . HOH K 4 . ? 25.291 55.900 91.742 0.96 23.53 ? 339 HOH A O 1 HETATM 1252 O O . HOH K 4 . ? 5.191 64.176 91.200 0.66 31.04 ? 344 HOH A O 1 HETATM 1253 O O . HOH K 4 . ? 9.930 55.701 110.903 0.65 24.62 ? 349 HOH A O 1 HETATM 1254 O O . HOH K 4 . ? 5.240 33.882 119.943 0.54 41.93 ? 350 HOH A O 1 HETATM 1255 O O . HOH K 4 . ? 9.854 29.813 98.255 0.65 33.57 ? 354 HOH A O 1 HETATM 1256 O O . HOH K 4 . ? 14.486 48.733 114.531 0.57 27.95 ? 360 HOH A O 1 HETATM 1257 O O . HOH K 4 . ? 7.638 45.930 132.163 0.71 23.45 ? 364 HOH A O 1 HETATM 1258 O O . HOH K 4 . ? 23.712 53.676 111.864 0.54 29.64 ? 365 HOH A O 1 HETATM 1259 O O . HOH K 4 . ? 8.909 31.366 98.472 0.62 36.64 ? 376 HOH A O 1 HETATM 1260 O O . HOH K 4 . ? 1.552 50.561 106.421 0.60 21.82 ? 385 HOH A O 1 HETATM 1261 O O . HOH K 4 . ? 12.760 37.272 135.739 0.54 10.84 ? 391 HOH A O 1 HETATM 1262 O O . HOH K 4 . ? -1.253 40.545 120.194 0.52 17.44 ? 399 HOH A O 1 HETATM 1263 O O . HOH K 4 . ? -2.721 35.260 146.584 0.56 34.07 ? 406 HOH A O 1 HETATM 1264 O O . HOH K 4 . ? 17.001 38.812 98.052 0.64 24.81 ? 408 HOH A O 1 HETATM 1265 O O . HOH K 4 . ? 31.157 37.648 91.913 0.57 34.21 ? 413 HOH A O 1 HETATM 1266 O O . HOH K 4 . ? 6.052 54.849 122.078 0.51 32.63 ? 420 HOH A O 1 HETATM 1267 O O . HOH K 4 . ? 26.423 53.871 116.851 0.68 19.02 ? 439 HOH A O 1 HETATM 1268 O O . HOH K 4 . ? -0.358 68.155 92.245 0.60 39.21 ? 440 HOH A O 1 HETATM 1269 O O . HOH K 4 . ? 8.724 32.883 101.855 0.64 36.50 ? 441 HOH A O 1 HETATM 1270 O O . HOH K 4 . ? 2.591 66.935 91.258 0.59 31.93 ? 442 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 1 ALA ALA A . n A 1 2 ASN 2 2 2 ASN ASN A . n A 1 3 LYS 3 3 3 LYS LYS A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 PHE 5 5 5 PHE PHE A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 CGU 7 7 7 CGU CGU A . n A 1 8 CGU 8 8 8 CGU CGU A . n A 1 9 VAL 9 9 9 VAL VAL A . n A 1 10 ARG 10 10 10 ARG ARG A . n A 1 11 LYS 11 11 11 LYS LYS A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 CGU 15 15 15 CGU CGU A . n A 1 16 ARG 16 16 16 ARG ARG A . n A 1 17 CGU 17 17 17 CGU CGU A . n A 1 18 CYS 18 18 18 CYS CYS A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 CGU 20 20 20 CGU CGU A . n A 1 21 CGU 21 21 21 CGU CGU A . n A 1 22 PRO 22 22 22 PRO PRO A . n A 1 23 CYS 23 23 23 CYS CYS A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 CGU 26 26 26 CGU CGU A . n A 1 27 CGU 27 27 27 CGU CGU A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 CGU 30 30 30 CGU CGU A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 CGU 33 33 33 CGU CGU A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 THR 38 38 38 THR THR A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 PHE 41 41 41 PHE PHE A . n A 1 42 TRP 42 42 42 TRP TRP A . n A 1 43 ALA 43 43 43 ALA ALA A . n A 1 44 LYS 44 44 44 LYS LYS A . n A 1 45 TYR 45 45 45 TYR TYR A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 ALA 47 47 47 ALA ALA A . n A 1 48 CYS 48 48 48 CYS CYS A . n A 1 49 GLU 49 49 49 GLU GLU A . n A 1 50 SER 50 50 50 SER SER A . n A 1 51 ALA 51 51 51 ALA ALA A . n A 1 52 ARG 52 52 52 ARG ARG A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 PRO 54 54 54 PRO PRO A . n A 1 55 ARG 55 55 55 ARG ARG A . n A 1 56 GLU 56 56 56 GLU GLU A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 GLU 60 60 60 GLU GLU A . n A 1 61 CYS 61 61 61 CYS CYS A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 GLU 63 63 63 GLU GLU A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 ASN 65 65 65 ASN ASN A . n A 1 66 CYS 66 66 66 CYS CYS A . n A 1 67 ALA 67 67 67 ALA ALA A . n A 1 68 GLU 68 68 68 GLU GLU A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 VAL 70 70 70 VAL VAL A . n A 1 71 GLY 71 71 71 GLY GLY A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 ASN 73 73 73 ASN ASN A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 ASN 77 77 77 ASN ASN A . n A 1 78 VAL 78 78 78 VAL VAL A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 VAL 80 80 80 VAL VAL A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 ARG 82 82 82 ARG ARG A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 GLY 84 84 84 GLY GLY A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 GLU 86 86 86 GLU GLU A . n A 1 87 CYS 87 87 87 CYS CYS A . n A 1 88 GLN 88 88 88 GLN GLN A . n A 1 89 LEU 89 89 89 LEU LEU A . n A 1 90 TRP 90 90 90 TRP TRP A . n A 1 91 ARG 91 91 91 ARG ARG A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 ARG 93 93 93 ARG ARG A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 HIS 96 96 96 HIS HIS A . n A 1 97 LYS 97 97 97 LYS LYS A . n A 1 98 PRO 98 98 98 PRO PRO A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 ILE 100 100 100 ILE ILE A . n A 1 101 ASN 101 101 101 ASN ASN A . n A 1 102 SER 102 102 102 SER SER A . n A 1 103 THR 103 103 103 THR THR A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 HIS 105 105 105 HIS HIS A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 ALA 108 108 108 ALA ALA A . n A 1 109 ASP 109 109 109 ASP ASP A . n A 1 110 LEU 110 110 110 LEU LEU A . n A 1 111 ARG 111 111 111 ARG ARG A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ASN 113 113 113 ASN ASN A . n A 1 114 PHE 114 114 114 PHE PHE A . n A 1 115 CYS 115 115 115 CYS CYS A . n A 1 116 ARG 116 116 116 ARG ARG A . n A 1 117 ASN 117 117 117 ASN ASN A . n A 1 118 PRO 118 118 118 PRO PRO A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 SER 121 121 121 SER SER A . n A 1 122 ILE 122 122 122 ILE ILE A . n A 1 123 THR 123 123 123 THR THR A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 PRO 125 125 125 PRO PRO A . n A 1 126 TRP 126 126 126 TRP TRP A . n A 1 127 CYS 127 127 127 CYS CYS A . n A 1 128 TYR 128 128 128 TYR TYR A . n A 1 129 THR 129 129 129 THR THR A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 SER 131 131 131 SER SER A . n A 1 132 PRO 132 132 132 PRO PRO A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 LEU 134 134 134 LEU LEU A . n A 1 135 ARG 135 135 135 ARG ARG A . n A 1 136 ARG 136 136 136 ARG ARG A . n A 1 137 GLU 137 137 137 GLU GLU A . n A 1 138 GLU 138 138 138 GLU GLU A . n A 1 139 CYS 139 139 139 CYS CYS A . n A 1 140 SER 140 140 140 SER SER A . n A 1 141 VAL 141 141 141 VAL VAL A . n A 1 142 PRO 142 142 142 PRO PRO A . n A 1 143 VAL 143 143 143 VAL VAL A . n A 1 144 CYS 144 144 144 CYS CYS A . n A 1 145 GLY 145 145 145 GLY GLY A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 161 161 NAG NAG A . C 3 SR 1 171 171 SR SR A . D 3 SR 1 172 172 SR SR A . E 3 SR 1 173 173 SR SR A . F 3 SR 1 174 174 SR SR A . G 3 SR 1 175 175 SR SR A . H 3 SR 1 176 176 SR SR A . I 3 SR 1 177 177 SR SR A . J 3 SR 1 178 178 SR SR A . K 4 HOH 1 181 181 HOH HOH A . K 4 HOH 2 182 182 HOH HOH A . K 4 HOH 3 184 184 HOH HOH A . K 4 HOH 4 185 185 HOH HOH A . K 4 HOH 5 186 186 HOH HOH A . K 4 HOH 6 187 187 HOH HOH A . K 4 HOH 7 188 188 HOH HOH A . K 4 HOH 8 189 189 HOH HOH A . K 4 HOH 9 190 190 HOH HOH A . K 4 HOH 10 191 191 HOH HOH A . K 4 HOH 11 192 192 HOH HOH A . K 4 HOH 12 193 193 HOH HOH A . K 4 HOH 13 195 195 HOH HOH A . K 4 HOH 14 196 196 HOH HOH A . K 4 HOH 15 198 198 HOH HOH A . K 4 HOH 16 199 199 HOH HOH A . K 4 HOH 17 200 200 HOH HOH A . K 4 HOH 18 201 201 HOH HOH A . K 4 HOH 19 203 203 HOH HOH A . K 4 HOH 20 204 204 HOH HOH A . K 4 HOH 21 205 205 HOH HOH A . K 4 HOH 22 206 206 HOH HOH A . K 4 HOH 23 207 207 HOH HOH A . K 4 HOH 24 208 208 HOH HOH A . K 4 HOH 25 209 209 HOH HOH A . K 4 HOH 26 210 210 HOH HOH A . K 4 HOH 27 211 211 HOH HOH A . K 4 HOH 28 212 212 HOH HOH A . K 4 HOH 29 213 213 HOH HOH A . K 4 HOH 30 214 214 HOH HOH A . K 4 HOH 31 217 217 HOH HOH A . K 4 HOH 32 219 219 HOH HOH A . K 4 HOH 33 221 221 HOH HOH A . K 4 HOH 34 223 223 HOH HOH A . K 4 HOH 35 226 226 HOH HOH A . K 4 HOH 36 227 227 HOH HOH A . K 4 HOH 37 230 230 HOH HOH A . K 4 HOH 38 232 232 HOH HOH A . K 4 HOH 39 243 243 HOH HOH A . K 4 HOH 40 244 244 HOH HOH A . K 4 HOH 41 247 247 HOH HOH A . K 4 HOH 42 251 251 HOH HOH A . K 4 HOH 43 252 252 HOH HOH A . K 4 HOH 44 258 258 HOH HOH A . K 4 HOH 45 259 259 HOH HOH A . K 4 HOH 46 266 266 HOH HOH A . K 4 HOH 47 267 267 HOH HOH A . K 4 HOH 48 268 268 HOH HOH A . K 4 HOH 49 271 271 HOH HOH A . K 4 HOH 50 272 272 HOH HOH A . K 4 HOH 51 275 275 HOH HOH A . K 4 HOH 52 276 276 HOH HOH A . K 4 HOH 53 279 279 HOH HOH A . K 4 HOH 54 280 280 HOH HOH A . K 4 HOH 55 282 282 HOH HOH A . K 4 HOH 56 286 286 HOH HOH A . K 4 HOH 57 287 287 HOH HOH A . K 4 HOH 58 289 289 HOH HOH A . K 4 HOH 59 292 292 HOH HOH A . K 4 HOH 60 294 294 HOH HOH A . K 4 HOH 61 299 299 HOH HOH A . K 4 HOH 62 306 306 HOH HOH A . K 4 HOH 63 309 309 HOH HOH A . K 4 HOH 64 320 320 HOH HOH A . K 4 HOH 65 321 321 HOH HOH A . K 4 HOH 66 322 322 HOH HOH A . K 4 HOH 67 324 324 HOH HOH A . K 4 HOH 68 326 326 HOH HOH A . K 4 HOH 69 333 333 HOH HOH A . K 4 HOH 70 336 336 HOH HOH A . K 4 HOH 71 339 339 HOH HOH A . K 4 HOH 72 344 344 HOH HOH A . K 4 HOH 73 349 349 HOH HOH A . K 4 HOH 74 350 350 HOH HOH A . K 4 HOH 75 354 354 HOH HOH A . K 4 HOH 76 360 360 HOH HOH A . K 4 HOH 77 364 364 HOH HOH A . K 4 HOH 78 365 365 HOH HOH A . K 4 HOH 79 376 376 HOH HOH A . K 4 HOH 80 385 385 HOH HOH A . K 4 HOH 81 391 391 HOH HOH A . K 4 HOH 82 399 399 HOH HOH A . K 4 HOH 83 406 406 HOH HOH A . K 4 HOH 84 408 408 HOH HOH A . K 4 HOH 85 413 413 HOH HOH A . K 4 HOH 86 420 420 HOH HOH A . K 4 HOH 87 439 439 HOH HOH A . K 4 HOH 88 440 440 HOH HOH A . K 4 HOH 89 441 441 HOH HOH A . K 4 HOH 90 442 442 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 101 A ASN 101 ? ASN 'GLYCOSYLATION SITE' 2 A CGU 7 A CGU 7 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 3 A CGU 8 A CGU 8 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 4 A CGU 15 A CGU 15 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 5 A CGU 17 A CGU 17 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 6 A CGU 20 A CGU 20 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 7 A CGU 21 A CGU 21 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 8 A CGU 26 A CGU 26 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 9 A CGU 27 A CGU 27 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 10 A CGU 30 A CGU 30 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' 11 A CGU 33 A CGU 33 ? GLU 'GAMMA-CARBOXY-GLUTAMIC ACID' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE12 ? A CGU 26 ? A CGU 26 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE21 ? A CGU 26 ? A CGU 26 ? 1_555 55.7 ? 2 OE12 ? A CGU 26 ? A CGU 26 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE11 ? A CGU 30 ? A CGU 30 ? 1_555 90.2 ? 3 OE21 ? A CGU 26 ? A CGU 26 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE11 ? A CGU 30 ? A CGU 30 ? 1_555 140.0 ? 4 OE12 ? A CGU 26 ? A CGU 26 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE21 ? A CGU 30 ? A CGU 30 ? 1_555 63.0 ? 5 OE21 ? A CGU 26 ? A CGU 26 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE21 ? A CGU 30 ? A CGU 30 ? 1_555 80.6 ? 6 OE11 ? A CGU 30 ? A CGU 30 ? 1_555 SR ? C SR . ? A SR 171 ? 1_555 OE21 ? A CGU 30 ? A CGU 30 ? 1_555 64.0 ? 7 OE12 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? D SR . ? A SR 172 ? 1_555 OE22 ? A CGU 30 ? A CGU 30 ? 1_555 81.6 ? 8 OE12 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? D SR . ? A SR 172 ? 1_555 OE21 ? A CGU 30 ? A CGU 30 ? 1_555 102.9 ? 9 OE22 ? A CGU 30 ? A CGU 30 ? 1_555 SR ? D SR . ? A SR 172 ? 1_555 OE21 ? A CGU 30 ? A CGU 30 ? 1_555 47.0 ? 10 OE22 ? A CGU 30 ? A CGU 30 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 149.5 ? 11 OE22 ? A CGU 30 ? A CGU 30 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE12 ? A CGU 17 ? A CGU 17 ? 1_555 117.0 ? 12 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE12 ? A CGU 17 ? A CGU 17 ? 1_555 40.3 ? 13 OE22 ? A CGU 30 ? A CGU 30 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 72.0 ? 14 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 85.2 ? 15 OE12 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? E SR . ? A SR 173 ? 1_555 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 88.2 ? 16 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 148.2 ? 17 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 60.9 ? 18 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 150.8 ? 19 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 N ? A ALA 1 ? A ALA 1 ? 1_555 59.6 ? 20 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 N ? A ALA 1 ? A ALA 1 ? 1_555 88.7 ? 21 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 N ? A ALA 1 ? A ALA 1 ? 1_555 120.5 ? 22 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 86.4 ? 23 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 70.0 ? 24 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 130.9 ? 25 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 44.4 ? 26 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 108.4 ? 27 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 87.2 ? 28 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 80.3 ? 29 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 118.1 ? 30 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 76.7 ? 31 OE22 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 87.7 ? 32 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 95.4 ? 33 OE11 ? A CGU 27 ? A CGU 27 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 80.5 ? 34 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 97.5 ? 35 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 137.3 ? 36 OE11 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? F SR . ? A SR 174 ? 1_555 OD1 ? A ASN 2 ? A ASN 2 ? 1_555 144.4 ? 37 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 N ? A ALA 1 ? A ALA 1 ? 1_555 98.2 ? 38 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 74.2 ? 39 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 43.3 ? 40 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 160.2 ? 41 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 98.3 ? 42 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 111.5 ? 43 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE22 ? A CGU 21 ? A CGU 21 ? 1_555 147.4 ? 44 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE22 ? A CGU 21 ? A CGU 21 ? 1_555 60.1 ? 45 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE22 ? A CGU 21 ? A CGU 21 ? 1_555 73.6 ? 46 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE22 ? A CGU 21 ? A CGU 21 ? 1_555 40.8 ? 47 OE11 ? A CGU 7 ? A CGU 7 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE12 ? A CGU 7 ? A CGU 7 ? 1_555 46.9 ? 48 N ? A ALA 1 ? A ALA 1 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE12 ? A CGU 7 ? A CGU 7 ? 1_555 99.3 ? 49 OE21 ? A CGU 17 ? A CGU 17 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE12 ? A CGU 7 ? A CGU 7 ? 1_555 106.3 ? 50 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE12 ? A CGU 7 ? A CGU 7 ? 1_555 139.6 ? 51 OE22 ? A CGU 21 ? A CGU 21 ? 1_555 SR ? G SR . ? A SR 175 ? 1_555 OE12 ? A CGU 7 ? A CGU 7 ? 1_555 151.3 ? 52 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 SR ? H SR . ? A SR 176 ? 1_555 OE12 ? A CGU 20 ? A CGU 20 ? 1_555 77.0 ? 53 OE21 ? A CGU 21 ? A CGU 21 ? 1_555 SR ? H SR . ? A SR 176 ? 1_555 OE11 ? A CGU 21 ? A CGU 21 ? 1_555 70.1 ? 54 OE12 ? A CGU 20 ? A CGU 20 ? 1_555 SR ? H SR . ? A SR 176 ? 1_555 OE11 ? A CGU 21 ? A CGU 21 ? 1_555 90.6 ? 55 OE22 ? A CGU 20 ? A CGU 20 ? 1_555 SR ? I SR . ? A SR 177 ? 1_555 OE22 ? A CGU 15 ? A CGU 15 ? 1_555 93.9 ? 56 OE22 ? A CGU 20 ? A CGU 20 ? 1_555 SR ? I SR . ? A SR 177 ? 1_555 OE21 ? A CGU 20 ? A CGU 20 ? 1_555 44.2 ? 57 OE22 ? A CGU 15 ? A CGU 15 ? 1_555 SR ? I SR . ? A SR 177 ? 1_555 OE21 ? A CGU 20 ? A CGU 20 ? 1_555 71.5 ? 58 O ? A CGU 30 ? A CGU 30 ? 1_555 SR ? J SR . ? A SR 178 ? 1_555 O ? K HOH . ? A HOH 199 ? 1_555 63.4 ? 59 O ? A CGU 30 ? A CGU 30 ? 1_555 SR ? J SR . ? A SR 178 ? 1_555 OE12 ? A CGU 30 ? A CGU 30 ? 1_555 86.2 ? 60 O ? K HOH . ? A HOH 199 ? 1_555 SR ? J SR . ? A SR 178 ? 1_555 OE12 ? A CGU 30 ? A CGU 30 ? 1_555 119.6 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 1994-05-31 2 'Structure model' 1 1 2008-03-25 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-11-29 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Derived calculations' 5 4 'Structure model' Other # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' pdbx_database_status 2 4 'Structure model' struct_conf 3 4 'Structure model' struct_conf_type # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 4 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_pdbx_database_status.process_site' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PROFFT refinement . ? 1 PROLSQ refinement . ? 2 # _pdbx_entry_details.entry_id 2SPT _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;SEQUENCE ADVISORY NOTICE DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. SWISS-PROT ENTRY NAME: THRB_BOVIN SWISS-PROT PDB SEQRES COMMENT GLU 50 CGU 7 GAMMA-CARBOXY-GLUTAMIC ACID GLU 51 CGU 8 GAMMA-CARBOXY-GLUTAMIC ACID GLU 58 CGU 15 GAMMA-CARBOXY-GLUTAMIC ACID GLU 60 CGU 17 GAMMA-CARBOXY-GLUTAMIC ACID GLU 63 CGU 20 GAMMA-CARBOXY-GLUTAMIC ACID GLU 64 CGU 21 GAMMA-CARBOXY-GLUTAMIC ACID GLU 69 CGU 26 GAMMA-CARBOXY-GLUTAMIC ACID GLU 70 CGU 27 GAMMA-CARBOXY-GLUTAMIC ACID GLU 73 CGU 30 GAMMA-CARBOXY-GLUTAMIC ACID GLU 76 CGU 33 GAMMA-CARBOXY-GLUTAMIC ACID ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OG1 A THR 129 ? ? O A LEU 134 ? ? 1.84 2 1 O A TRP 42 ? ? OG1 A THR 46 ? ? 2.06 3 1 OD1 A ASN 117 ? ? N A GLY 120 ? ? 2.09 4 1 C A GLY 4 ? ? OE21 A CGU 7 ? ? 2.13 5 1 N A ALA 1 ? ? OE21 A CGU 17 ? ? 2.19 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CG A ARG 10 ? ? CD A ARG 10 ? ? NE A ARG 10 ? ? 125.38 111.80 13.58 2.10 N 2 1 NE A ARG 10 ? ? CZ A ARG 10 ? ? NH1 A ARG 10 ? ? 124.23 120.30 3.93 0.50 N 3 1 O A ASN 13 ? ? C A ASN 13 ? ? N A LEU 14 ? ? 133.11 122.70 10.41 1.60 Y 4 1 NE A ARG 16 ? ? CZ A ARG 16 ? ? NH1 A ARG 16 ? ? 124.74 120.30 4.44 0.50 N 5 1 NE A ARG 25 ? ? CZ A ARG 25 ? ? NH1 A ARG 25 ? ? 124.85 120.30 4.55 0.50 N 6 1 NE A ARG 25 ? ? CZ A ARG 25 ? ? NH2 A ARG 25 ? ? 116.95 120.30 -3.35 0.50 N 7 1 CB A TYR 45 ? ? CG A TYR 45 ? ? CD1 A TYR 45 ? ? 116.71 121.00 -4.29 0.60 N 8 1 CD A ARG 52 ? ? NE A ARG 52 ? ? CZ A ARG 52 ? ? 138.60 123.60 15.00 1.40 N 9 1 NE A ARG 52 ? ? CZ A ARG 52 ? ? NH1 A ARG 52 ? ? 127.95 120.30 7.65 0.50 N 10 1 CB A ASN 59 ? ? CA A ASN 59 ? ? C A ASN 59 ? ? 123.21 110.40 12.81 2.00 N 11 1 C A VAL 70 ? ? N A GLY 71 ? ? CA A GLY 71 ? ? 135.63 122.30 13.33 2.10 Y 12 1 CD A ARG 75 ? ? NE A ARG 75 ? ? CZ A ARG 75 ? ? 114.50 123.60 -9.10 1.40 N 13 1 NE A ARG 75 ? ? CZ A ARG 75 ? ? NH1 A ARG 75 ? ? 112.46 120.30 -7.84 0.50 N 14 1 NE A ARG 75 ? ? CZ A ARG 75 ? ? NH2 A ARG 75 ? ? 128.54 120.30 8.24 0.50 N 15 1 NE A ARG 82 ? ? CZ A ARG 82 ? ? NH2 A ARG 82 ? ? 116.87 120.30 -3.43 0.50 N 16 1 CD A ARG 111 ? ? NE A ARG 111 ? ? CZ A ARG 111 ? ? 132.20 123.60 8.60 1.40 N 17 1 NE A ARG 111 ? ? CZ A ARG 111 ? ? NH1 A ARG 111 ? ? 124.39 120.30 4.09 0.50 N 18 1 NE A ARG 116 ? ? CZ A ARG 116 ? ? NH2 A ARG 116 ? ? 123.68 120.30 3.38 0.50 N 19 1 NE A ARG 136 ? ? CZ A ARG 136 ? ? NH2 A ARG 136 ? ? 123.68 120.30 3.38 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 2 ? ? 70.17 57.39 2 1 LYS A 3 ? ? -85.30 30.12 3 1 PHE A 5 ? ? 67.27 92.18 4 1 LEU A 6 ? ? 37.31 30.19 5 1 CGU A 15 ? ? -38.33 -74.11 6 1 CGU A 33 ? ? 86.05 -104.06 7 1 PHE A 41 ? ? -50.74 -74.85 8 1 ALA A 51 ? ? -140.57 36.27 9 1 PRO A 54 ? ? -58.72 170.10 10 1 THR A 81 ? ? -65.48 -172.90 11 1 ASN A 101 ? ? -137.49 -112.85 12 1 ASP A 109 ? ? -67.42 74.56 13 1 GLU A 112 ? ? 67.00 -134.35 14 1 ARG A 116 ? ? -141.06 -51.87 15 1 ASN A 117 ? ? 72.39 66.41 16 1 ARG A 135 ? ? -55.78 -77.92 17 1 GLU A 137 ? ? -170.00 147.20 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A CGU 33 ? CB ? A CGU 33 CB 2 1 Y 1 A CGU 33 ? CG ? A CGU 33 CG 3 1 Y 1 A CGU 33 ? CD1 ? A CGU 33 CD1 4 1 Y 1 A CGU 33 ? CD2 ? A CGU 33 CD2 5 1 Y 1 A CGU 33 ? OE11 ? A CGU 33 OE11 6 1 Y 1 A CGU 33 ? OE12 ? A CGU 33 OE12 7 1 Y 1 A CGU 33 ? OE21 ? A CGU 33 OE21 8 1 Y 1 A CGU 33 ? OE22 ? A CGU 33 OE22 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'STRONTIUM ION' SR 4 water HOH #