data_5CST # _entry.id 5CST # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5CST WWPDB D_1000212124 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2015-08-12 _pdbx_database_PDB_obs_spr.pdb_id 5CST _pdbx_database_PDB_obs_spr.replace_pdb_id 4ZW4 _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5CST _pdbx_database_status.recvd_initial_deposition_date 2015-07-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamin, S.' 1 'Pandey, S.' 2 'Kaur, P.' 3 'Sharma, S.' 4 'Singh, T.P.' 5 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country NE _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Biochem Biophys Rep' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2405-5808 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 4 _citation.language ? _citation.page_first 134 _citation.page_last 140 _citation.title ;Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with cytosine, cytidine, and cytidine diphosphate ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.bbrep.2015.09.006 _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yamini, S.' 1 primary 'Pandey, S.N.' 2 primary 'Kaur, P.' 3 primary 'Sharma, S.' 4 primary 'Singh, T.P.' 5 # _cell.entry_id 5CST _cell.length_a 130.216 _cell.length_b 130.216 _cell.length_c 40.458 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 9 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5CST _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 # 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 nat 'Ribosome inactivating protein' 27093.756 1 3.2.2.22 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 4 non-polymer syn "CYTIDINE-5'-DIPHOSPHATE" 403.176 1 ? ? ? ? 5 water nat water 18.015 246 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _entity_poly.pdbx_seq_one_letter_code_can ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _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 ASP n 1 2 VAL n 1 3 SER n 1 4 PHE n 1 5 ARG n 1 6 LEU n 1 7 SER n 1 8 GLY n 1 9 ALA n 1 10 ASP n 1 11 PRO n 1 12 SER n 1 13 SER n 1 14 TYR n 1 15 GLY n 1 16 MET n 1 17 PHE n 1 18 ILE n 1 19 LYS n 1 20 ASP n 1 21 LEU n 1 22 ARG n 1 23 ASN n 1 24 ALA n 1 25 LEU n 1 26 PRO n 1 27 HIS n 1 28 THR n 1 29 GLU n 1 30 LYS n 1 31 VAL n 1 32 TYR n 1 33 ASN n 1 34 ILE n 1 35 PRO n 1 36 LEU n 1 37 LEU n 1 38 LEU n 1 39 PRO n 1 40 SER n 1 41 VAL n 1 42 SER n 1 43 GLY n 1 44 ALA n 1 45 GLY n 1 46 ARG n 1 47 TYR n 1 48 LEU n 1 49 LEU n 1 50 MET n 1 51 HIS n 1 52 LEU n 1 53 PHE n 1 54 ASN n 1 55 TYR n 1 56 ASP n 1 57 GLY n 1 58 ASN n 1 59 THR n 1 60 ILE n 1 61 THR n 1 62 VAL n 1 63 ALA n 1 64 VAL n 1 65 ASP n 1 66 VAL n 1 67 THR n 1 68 ASN n 1 69 VAL n 1 70 TYR n 1 71 ILE n 1 72 MET n 1 73 GLY n 1 74 TYR n 1 75 LEU n 1 76 ALA n 1 77 LEU n 1 78 THR n 1 79 THR n 1 80 SER n 1 81 TYR n 1 82 PHE n 1 83 PHE n 1 84 ASN n 1 85 GLU n 1 86 PRO n 1 87 ALA n 1 88 ALA n 1 89 ASP n 1 90 LEU n 1 91 ALA n 1 92 SER n 1 93 GLN n 1 94 TYR n 1 95 VAL n 1 96 PHE n 1 97 ARG n 1 98 SER n 1 99 ALA n 1 100 ARG n 1 101 ARG n 1 102 LYS n 1 103 ILE n 1 104 THR n 1 105 LEU n 1 106 PRO n 1 107 TYR n 1 108 SER n 1 109 GLY n 1 110 ASN n 1 111 TYR n 1 112 GLU n 1 113 ARG n 1 114 LEU n 1 115 GLN n 1 116 ILE n 1 117 ALA n 1 118 ALA n 1 119 GLY n 1 120 LYS n 1 121 PRO n 1 122 ARG n 1 123 GLU n 1 124 LYS n 1 125 ILE n 1 126 PRO n 1 127 ILE n 1 128 GLY n 1 129 LEU n 1 130 PRO n 1 131 ALA n 1 132 LEU n 1 133 ASP n 1 134 THR n 1 135 ALA n 1 136 ILE n 1 137 SER n 1 138 THR n 1 139 LEU n 1 140 LEU n 1 141 HIS n 1 142 TYR n 1 143 ASP n 1 144 SER n 1 145 THR n 1 146 ALA n 1 147 ALA n 1 148 ALA n 1 149 GLY n 1 150 ALA n 1 151 LEU n 1 152 LEU n 1 153 VAL n 1 154 LEU n 1 155 ILE n 1 156 GLN n 1 157 THR n 1 158 THR n 1 159 ALA n 1 160 GLU n 1 161 ALA n 1 162 ALA n 1 163 ARG n 1 164 PHE n 1 165 LYS n 1 166 TYR n 1 167 ILE n 1 168 GLU n 1 169 GLN n 1 170 GLN n 1 171 ILE n 1 172 GLN n 1 173 GLU n 1 174 ARG n 1 175 ALA n 1 176 TYR n 1 177 ARG n 1 178 ASP n 1 179 GLU n 1 180 VAL n 1 181 PRO n 1 182 SER n 1 183 SER n 1 184 ALA n 1 185 THR n 1 186 ILE n 1 187 SER n 1 188 LEU n 1 189 GLU n 1 190 ASN n 1 191 SER n 1 192 TRP n 1 193 SER n 1 194 GLY n 1 195 LEU n 1 196 SER n 1 197 LYS n 1 198 GLN n 1 199 ILE n 1 200 GLN n 1 201 LEU n 1 202 ALA n 1 203 GLN n 1 204 GLY n 1 205 ASN n 1 206 ASN n 1 207 GLY n 1 208 VAL n 1 209 PHE n 1 210 ARG n 1 211 THR n 1 212 PRO n 1 213 THR n 1 214 VAL n 1 215 LEU n 1 216 VAL n 1 217 ASP n 1 218 SER n 1 219 LYS n 1 220 GLY n 1 221 ASN n 1 222 ARG n 1 223 VAL n 1 224 GLN n 1 225 ILE n 1 226 THR n 1 227 ASN n 1 228 VAL n 1 229 THR n 1 230 SER n 1 231 ASN n 1 232 VAL n 1 233 VAL n 1 234 THR n 1 235 SER n 1 236 ASN n 1 237 ILE n 1 238 GLN n 1 239 LEU n 1 240 LEU n 1 241 LEU n 1 242 ASN n 1 243 THR n 1 244 LYS n 1 245 ASN n 1 246 ILE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 246 _entity_src_nat.common_name 'Bitter gourd' _entity_src_nat.pdbx_organism_scientific 'Momordica balsamina' _entity_src_nat.pdbx_ncbi_taxonomy_id 3672 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code D9J2T9_MOMBA _struct_ref.pdbx_db_accession D9J2T9 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5CST _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 246 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession D9J2T9 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 246 _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 246 # 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 CDP non-polymer . "CYTIDINE-5'-DIPHOSPHATE" ? 'C9 H15 N3 O11 P2' 403.176 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5CST _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.44 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.52 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.7 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type MARRESEARCH _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2012-11-11 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5CST _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.78 _reflns.d_resolution_low 38.11 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all 22958 _reflns.number_obs 22958 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.8 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.065 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 34.0 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.78 _reflns_shell.d_res_low 1.81 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.6 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 96.9 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -1.26 _refine.aniso_B[1][2] -1.26 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][2] -1.26 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] 4.09 _refine.B_iso_max ? _refine.B_iso_mean 29.159 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.975 _refine.correlation_coeff_Fo_to_Fc_free 0.963 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5CST _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.78 _refine.ls_d_res_low 38.11 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 22958 _refine.ls_number_reflns_R_free 1238 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.03 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.15545 _refine.ls_R_factor_R_free 0.18878 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.15057 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 3S9Q _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.109 _refine.pdbx_overall_ESU_R_Free 0.106 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 2.429 _refine.overall_SU_ML 0.077 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 1911 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 60 _refine_hist.number_atoms_solvent 246 _refine_hist.number_atoms_total 2217 _refine_hist.d_res_high 1.78 _refine_hist.d_res_low 38.11 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.021 0.019 2009 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 1915 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 2.039 1.999 2742 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.958 3.000 4384 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 6.037 5.000 246 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 34.915 23.929 84 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 12.318 15.000 322 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 15.703 15.000 13 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.128 0.200 324 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.011 0.021 2247 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.003 0.020 457 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 2.512 2.566 986 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 2.503 2.563 985 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 3.216 3.836 1231 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 3.218 3.838 1232 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 3.927 3.041 1023 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 3.914 3.015 1007 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 5.687 4.359 1485 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 7.688 22.781 2420 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 7.688 22.780 2420 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.782 _refine_ls_shell.d_res_low 1.828 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 77 _refine_ls_shell.number_reflns_R_work 1508 _refine_ls_shell.percent_reflns_obs 88.35 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.236 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.198 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5CST _struct.title ;Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine diphosphate at 1.78 A resolution ; _struct.pdbx_descriptor 'Ribosome inactivating protein (E.C.3.2.2.22)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5CST _struct_keywords.text HYDROLASE _struct_keywords.pdbx_keywords HYDROLASE # 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 4 ? F N N 5 ? # 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 AA1 ASP A 10 ? ALA A 24 ? ASP A 10 ALA A 24 1 ? 15 HELX_P HELX_P2 AA2 SER A 42 ? GLY A 45 ? SER A 42 GLY A 45 5 ? 4 HELX_P HELX_P3 AA3 GLU A 85 ? SER A 92 ? GLU A 85 SER A 92 1 ? 8 HELX_P HELX_P4 AA4 ASN A 110 ? GLY A 119 ? ASN A 110 GLY A 119 1 ? 10 HELX_P HELX_P5 AA5 PRO A 121 ? ILE A 125 ? PRO A 121 ILE A 125 5 ? 5 HELX_P HELX_P6 AA6 GLY A 128 ? LEU A 140 ? GLY A 128 LEU A 140 1 ? 13 HELX_P HELX_P7 AA7 ASP A 143 ? THR A 158 ? ASP A 143 THR A 158 1 ? 16 HELX_P HELX_P8 AA8 THR A 158 ? PHE A 164 ? THR A 158 PHE A 164 1 ? 7 HELX_P HELX_P9 AA9 PHE A 164 ? ARG A 174 ? PHE A 164 ARG A 174 1 ? 11 HELX_P HELX_P10 AB1 SER A 182 ? GLN A 203 ? SER A 182 GLN A 203 1 ? 22 HELX_P HELX_P11 AB2 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P12 AB3 ASN A 242 ? ILE A 246 ? ASN A 242 ILE A 246 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 227 _struct_conn.ptnr1_label_atom_id ND2 _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 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 227 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 301 _struct_conn.ptnr2_symmetry 1_555 _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 1.433 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 2 ? AA3 ? 2 ? # 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 AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? parallel AA2 1 2 ? anti-parallel AA3 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 AA1 1 VAL A 2 ? ARG A 5 ? VAL A 2 ARG A 5 AA1 2 TYR A 47 ? PHE A 53 ? TYR A 47 PHE A 53 AA1 3 THR A 59 ? ASP A 65 ? THR A 59 ASP A 65 AA1 4 ILE A 71 ? ALA A 76 ? ILE A 71 ALA A 76 AA1 5 THR A 79 ? PHE A 82 ? THR A 79 PHE A 82 AA1 6 ARG A 101 ? THR A 104 ? ARG A 101 THR A 104 AA2 1 HIS A 27 ? VAL A 31 ? HIS A 27 VAL A 31 AA2 2 ILE A 34 ? LEU A 37 ? ILE A 34 LEU A 37 AA3 1 VAL A 208 ? VAL A 216 ? VAL A 208 VAL A 216 AA3 2 ARG A 222 ? ASN A 227 ? ARG A 222 ASN A 227 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 2 ? N VAL A 2 O HIS A 51 ? O HIS A 51 AA1 2 3 N LEU A 48 ? N LEU A 48 O VAL A 64 ? O VAL A 64 AA1 3 4 N ALA A 63 ? N ALA A 63 O MET A 72 ? O MET A 72 AA1 4 5 N ALA A 76 ? N ALA A 76 O THR A 79 ? O THR A 79 AA1 5 6 N SER A 80 ? N SER A 80 O ILE A 103 ? O ILE A 103 AA2 1 2 N GLU A 29 ? N GLU A 29 O LEU A 36 ? O LEU A 36 AA3 1 2 N LEU A 215 ? N LEU A 215 O VAL A 223 ? O VAL A 223 # 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 A GOL 302 ? 6 'binding site for residue GOL A 302' AC2 Software A GOL 303 ? 6 'binding site for residue GOL A 303' AC3 Software A CDP 304 ? 17 'binding site for residue CDP A 304' AC4 Software A NAG 301 ? 7 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 227' # 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 6 LEU A 6 ? LEU A 6 . ? 1_555 ? 2 AC1 6 ALA A 9 ? ALA A 9 . ? 1_555 ? 3 AC1 6 ARG A 101 ? ARG A 101 . ? 3_555 ? 4 AC1 6 ILE A 103 ? ILE A 103 . ? 3_555 ? 5 AC1 6 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 430 . ? 1_555 ? 7 AC2 6 VAL A 233 ? VAL A 233 . ? 1_555 ? 8 AC2 6 THR A 234 ? THR A 234 . ? 1_555 ? 9 AC2 6 SER A 235 ? SER A 235 . ? 1_555 ? 10 AC2 6 ASN A 236 ? ASN A 236 . ? 1_555 ? 11 AC2 6 ILE A 237 ? ILE A 237 . ? 1_555 ? 12 AC2 6 GLN A 238 ? GLN A 238 . ? 1_555 ? 13 AC3 17 TYR A 70 ? TYR A 70 . ? 1_555 ? 14 AC3 17 ILE A 71 ? ILE A 71 . ? 1_555 ? 15 AC3 17 PHE A 83 ? PHE A 83 . ? 1_555 ? 16 AC3 17 GLU A 85 ? GLU A 85 . ? 1_555 ? 17 AC3 17 GLY A 109 ? GLY A 109 . ? 1_555 ? 18 AC3 17 ASN A 110 ? ASN A 110 . ? 1_555 ? 19 AC3 17 TYR A 111 ? TYR A 111 . ? 1_555 ? 20 AC3 17 GLU A 112 ? GLU A 112 . ? 1_555 ? 21 AC3 17 ILE A 155 ? ILE A 155 . ? 1_555 ? 22 AC3 17 GLU A 160 ? GLU A 160 . ? 1_555 ? 23 AC3 17 ARG A 163 ? ARG A 163 . ? 1_555 ? 24 AC3 17 HOH F . ? HOH A 401 . ? 1_555 ? 25 AC3 17 HOH F . ? HOH A 409 . ? 1_555 ? 26 AC3 17 HOH F . ? HOH A 426 . ? 1_555 ? 27 AC3 17 HOH F . ? HOH A 427 . ? 1_555 ? 28 AC3 17 HOH F . ? HOH A 438 . ? 1_555 ? 29 AC3 17 HOH F . ? HOH A 592 . ? 1_555 ? 30 AC4 7 THR A 226 ? THR A 226 . ? 1_555 ? 31 AC4 7 ASN A 227 ? ASN A 227 . ? 1_555 ? 32 AC4 7 THR A 229 ? THR A 229 . ? 1_555 ? 33 AC4 7 HOH F . ? HOH A 425 . ? 1_555 ? 34 AC4 7 HOH F . ? HOH A 450 . ? 1_555 ? 35 AC4 7 HOH F . ? HOH A 464 . ? 1_555 ? 36 AC4 7 HOH F . ? HOH A 521 . ? 1_555 ? # _atom_sites.entry_id 5CST _atom_sites.fract_transf_matrix[1][1] 0.007680 _atom_sites.fract_transf_matrix[1][2] 0.004434 _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] 0.008868 _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] 0.024717 _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_type.symbol C N O P S # 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 . ASP A 1 1 ? -22.845 -18.132 -15.370 1.00 30.88 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -21.948 -17.063 -14.770 1.00 31.95 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -22.747 -15.792 -14.554 1.00 28.88 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -23.848 -15.632 -15.116 1.00 26.72 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -20.776 -16.779 -15.695 1.00 31.53 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -19.934 -18.039 -16.040 1.00 33.79 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -20.264 -19.189 -15.627 1.00 30.73 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -18.907 -17.807 -16.715 1.00 35.25 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -22.233 -14.888 -13.728 1.00 26.21 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -22.832 -13.558 -13.580 1.00 23.90 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -21.708 -12.541 -13.739 1.00 24.69 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -20.491 -12.922 -13.656 1.00 24.43 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -23.478 -13.414 -12.190 1.00 27.69 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -24.690 -14.356 -12.017 1.00 28.87 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -22.461 -13.629 -11.129 1.00 26.85 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? -22.097 -11.324 -14.068 1.00 24.93 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.175 -10.246 -14.417 1.00 24.23 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -21.590 -8.948 -13.748 1.00 25.68 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -22.791 -8.676 -13.485 1.00 24.51 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -21.124 -10.083 -15.942 1.00 24.75 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -20.473 -11.198 -16.514 1.00 25.80 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -20.594 -8.109 -13.454 1.00 22.50 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.849 -6.748 -12.997 1.00 20.77 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.732 -5.829 -13.540 1.00 22.02 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -18.576 -6.148 -13.402 1.00 21.13 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -20.896 -6.612 -11.481 1.00 21.67 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -21.217 -5.218 -10.984 1.00 23.89 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.343 -4.513 -11.434 1.00 22.35 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -20.450 -4.636 -9.990 1.00 24.32 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -22.596 -3.266 -10.958 1.00 22.58 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -20.733 -3.427 -9.473 1.00 22.29 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -21.817 -2.718 -9.962 1.00 23.71 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -20.128 -4.714 -14.169 1.00 21.66 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -19.231 -3.691 -14.667 1.00 22.66 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -19.288 -2.405 -13.831 1.00 22.40 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -20.385 -1.796 -13.577 1.00 22.48 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -19.611 -3.344 -16.117 1.00 24.84 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -19.249 -4.493 -17.029 1.00 29.17 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -19.781 -4.474 -18.446 1.00 37.32 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -19.199 -5.555 -19.282 1.00 39.16 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -19.603 -6.838 -19.374 1.00 46.20 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -20.605 -7.350 -18.636 1.00 43.09 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -18.978 -7.646 -20.247 1.00 45.75 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? -18.129 -1.911 -13.451 1.00 22.15 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? -18.086 -0.699 -12.697 1.00 21.32 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? -18.265 0.544 -13.592 1.00 22.46 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? -18.655 1.591 -13.133 1.00 25.40 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? -16.832 -0.591 -11.777 1.00 23.19 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? -16.936 -1.240 -10.418 1.00 22.72 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? -17.846 -0.493 -9.433 1.00 23.03 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? -17.298 -2.709 -10.500 1.00 24.07 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? -17.911 0.414 -14.852 1.00 22.97 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -18.003 1.503 -15.770 1.00 25.26 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -19.495 1.750 -16.039 1.00 27.55 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -20.190 0.906 -16.590 1.00 27.79 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -17.324 1.180 -17.110 1.00 27.38 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -17.348 2.400 -17.859 1.00 30.53 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -19.955 2.926 -15.641 1.00 26.06 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -21.388 3.301 -15.764 1.00 27.98 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -22.281 2.751 -14.655 1.00 26.67 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -23.569 2.877 -14.662 1.00 25.19 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -21.677 2.110 -13.673 1.00 24.91 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -22.483 1.500 -12.598 1.00 25.66 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -23.251 2.527 -11.807 1.00 26.19 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -22.760 3.649 -11.491 1.00 24.27 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -21.611 0.684 -11.627 1.00 22.26 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? -24.450 2.125 -11.388 1.00 23.98 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? -25.272 2.919 -10.490 1.00 25.26 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? -26.058 2.011 -9.526 1.00 23.57 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? -25.923 0.778 -9.600 1.00 23.83 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? -26.167 3.868 -11.325 1.00 26.24 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? -27.296 3.172 -12.051 1.00 35.43 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? -27.285 1.942 -12.168 1.00 30.05 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? -28.171 3.913 -12.586 1.00 37.96 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? -26.870 2.603 -8.639 1.00 24.36 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? -27.534 1.675 -7.701 1.00 26.15 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? -28.383 0.582 -8.348 1.00 26.67 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? -28.482 -0.565 -7.843 1.00 22.74 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? -28.284 2.609 -6.756 1.00 28.90 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? -27.415 3.892 -6.708 1.00 27.17 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? -26.848 3.986 -8.126 1.00 25.17 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? -28.971 0.909 -9.478 1.00 27.31 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? -29.814 -0.018 -10.200 1.00 31.13 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? -29.002 -1.140 -10.833 1.00 27.16 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? -29.337 -2.328 -10.696 1.00 25.88 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? -30.584 0.770 -11.282 1.00 28.52 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? -31.376 -0.125 -12.025 1.00 42.89 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? -27.922 -0.818 -11.531 1.00 23.87 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? -27.187 -1.888 -12.170 1.00 25.73 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? -26.483 -2.813 -11.112 1.00 21.73 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? -26.274 -4.051 -11.345 1.00 24.53 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? -26.191 -1.382 -13.231 1.00 27.35 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? -25.032 -0.767 -12.638 1.00 25.65 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? -26.091 -2.227 -9.996 1.00 23.47 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? -25.561 -3.017 -8.909 1.00 20.62 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? -26.670 -3.962 -8.384 1.00 23.80 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? -26.431 -5.149 -8.140 1.00 22.48 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? -25.012 -2.147 -7.778 1.00 22.50 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? -24.566 -2.929 -6.591 1.00 20.85 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? -23.424 -3.707 -6.633 1.00 21.30 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? -25.251 -2.852 -5.400 1.00 20.60 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? -22.992 -4.414 -5.523 1.00 21.10 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? -24.842 -3.548 -4.305 1.00 19.47 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? -23.702 -4.350 -4.379 1.00 19.29 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? -23.365 -5.004 -3.258 1.00 18.17 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? -27.879 -3.432 -8.138 1.00 23.03 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? -28.949 -4.290 -7.630 1.00 21.84 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? -29.266 -5.399 -8.614 1.00 23.75 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? -29.644 -6.510 -8.218 1.00 24.89 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? -29.176 -5.141 -9.903 1.00 22.94 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? -29.392 -6.193 -10.884 1.00 26.15 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? -28.329 -7.284 -10.771 1.00 26.32 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? -28.617 -8.473 -10.926 1.00 22.68 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? -29.403 -5.650 -12.323 1.00 29.13 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? -30.513 -4.627 -12.629 1.00 35.32 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? -30.561 -4.142 -14.394 1.00 49.56 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? -29.346 -2.860 -14.692 1.00 50.91 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? -27.084 -6.873 -10.524 1.00 22.15 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? -26.007 -7.817 -10.306 1.00 22.07 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? -26.292 -8.715 -9.102 1.00 19.13 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? -26.090 -9.932 -9.185 1.00 22.42 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? -24.646 -7.078 -10.268 1.00 20.43 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? -23.526 -7.872 -9.578 1.00 20.46 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? -23.082 -9.083 -10.097 1.00 22.67 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? -23.010 -7.421 -8.367 1.00 22.58 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? -22.063 -9.801 -9.451 1.00 23.60 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? -22.008 -8.118 -7.730 1.00 23.67 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? -21.562 -9.329 -8.237 1.00 22.63 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? -26.687 -8.127 -7.994 1.00 20.26 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? -26.837 -8.847 -6.792 1.00 20.99 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? -28.045 -9.785 -6.981 1.00 22.87 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? -28.030 -10.937 -6.516 1.00 21.80 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? -27.045 -7.921 -5.651 1.00 19.90 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? -25.743 -7.140 -5.288 1.00 21.42 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? -27.551 -8.614 -4.416 1.00 21.39 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? -24.539 -8.045 -4.991 1.00 21.00 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? -29.070 -9.296 -7.677 1.00 23.48 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? -30.204 -10.208 -8.043 1.00 26.81 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? -29.762 -11.402 -8.915 1.00 24.37 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? -30.144 -12.561 -8.629 1.00 24.75 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? -31.345 -9.382 -8.704 1.00 29.78 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? -32.408 -10.227 -9.405 1.00 37.70 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? -33.123 -9.412 -10.490 1.00 48.06 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? -34.202 -8.507 -9.905 1.00 59.12 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? -34.975 -7.735 -10.952 1.00 65.02 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? -28.926 -11.166 -9.928 1.00 23.96 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? -28.351 -12.241 -10.748 1.00 25.48 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? -27.513 -13.224 -9.894 1.00 23.76 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? -27.555 -14.479 -10.095 1.00 22.73 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? -27.424 -11.707 -11.846 1.00 28.75 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? -28.128 -10.901 -12.915 1.00 31.54 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? -29.370 -10.939 -12.998 1.00 30.34 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? -27.400 -10.146 -13.609 1.00 31.87 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? -26.715 -12.661 -8.976 1.00 23.60 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? -25.863 -13.501 -8.089 1.00 24.65 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? -26.779 -14.423 -7.227 1.00 24.22 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -26.607 -15.652 -7.173 1.00 23.22 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? -24.956 -12.626 -7.204 1.00 23.91 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? -24.151 -13.272 -6.072 1.00 26.61 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -23.410 -14.489 -6.507 1.00 30.42 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? -23.206 -12.208 -5.470 1.00 24.20 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? -27.784 -13.839 -6.613 1.00 22.47 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? -28.724 -14.672 -5.847 1.00 21.58 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? -29.361 -15.764 -6.728 1.00 24.12 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -29.497 -16.915 -6.296 1.00 28.57 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? -29.814 -13.799 -5.280 1.00 23.29 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? -29.435 -12.946 -4.077 1.00 23.03 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? -30.443 -11.871 -3.849 1.00 22.39 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? -30.036 -10.992 -2.724 1.00 21.61 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? -30.351 -9.706 -2.647 1.00 22.55 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? -31.227 -9.181 -3.524 1.00 26.37 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? -29.890 -8.974 -1.629 1.00 23.43 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? -29.772 -15.397 -7.939 1.00 29.13 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? -30.567 -16.297 -8.815 1.00 30.15 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -29.728 -17.381 -9.397 1.00 30.01 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -30.233 -18.412 -9.836 1.00 29.53 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? -31.261 -15.493 -9.923 1.00 29.87 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? -32.496 -14.719 -9.429 1.00 34.51 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? -32.918 -13.784 -10.080 1.00 41.65 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? -33.062 -15.094 -8.299 1.00 39.42 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -28.399 -17.203 -9.357 1.00 26.69 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -27.480 -18.178 -9.872 1.00 24.16 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -27.187 -19.291 -8.857 1.00 26.89 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -26.505 -20.255 -9.166 1.00 27.84 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -26.167 -17.498 -10.252 1.00 26.81 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -27.596 -19.121 -7.625 1.00 25.06 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -27.330 -20.091 -6.583 1.00 24.92 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -28.496 -21.087 -6.488 1.00 29.47 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -29.637 -20.664 -6.358 1.00 29.07 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -27.204 -19.402 -5.249 1.00 26.30 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -26.098 -18.321 -5.144 1.00 26.01 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -26.151 -17.600 -3.806 1.00 27.71 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -24.711 -18.937 -5.340 1.00 28.38 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -28.205 -22.379 -6.609 1.00 27.45 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -29.290 -23.387 -6.691 1.00 30.26 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -29.877 -23.696 -5.335 1.00 32.00 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -29.197 -23.609 -4.318 1.00 28.54 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -28.601 -24.596 -7.290 1.00 30.86 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -27.172 -24.469 -6.883 1.00 31.27 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -26.884 -22.981 -6.850 1.00 29.42 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -31.164 -24.072 -5.336 1.00 32.04 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -31.864 -24.429 -4.142 1.00 34.32 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -33.073 -25.284 -4.608 1.00 33.12 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -33.554 -25.099 -5.742 1.00 30.86 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -32.303 -23.212 -3.337 1.00 33.54 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -33.460 -22.444 -3.914 1.00 37.26 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -33.310 -21.421 -4.834 1.00 43.54 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -34.795 -22.527 -3.649 1.00 38.26 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -34.510 -20.932 -5.131 1.00 49.14 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -35.428 -21.590 -4.422 1.00 39.80 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -33.519 -26.180 -3.750 1.00 37.13 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -34.720 -26.997 -4.070 1.00 36.35 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -35.855 -26.722 -3.075 1.00 41.62 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -36.977 -27.152 -3.315 1.00 37.00 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -34.410 -28.520 -4.079 1.00 45.78 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -33.745 -28.860 -2.881 1.00 48.89 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -33.509 -28.977 -5.275 1.00 46.29 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -35.587 -26.013 -1.977 1.00 32.31 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -36.561 -25.732 -0.938 1.00 36.96 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -36.390 -24.245 -0.507 1.00 37.22 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -35.239 -23.705 -0.517 1.00 31.08 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -36.179 -26.622 0.238 1.00 42.32 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -37.193 -27.087 1.245 1.00 54.11 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -36.510 -27.942 2.323 1.00 59.64 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -35.633 -28.779 1.948 1.00 58.64 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -36.807 -27.761 3.540 1.00 56.76 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -37.491 -23.615 -0.091 1.00 30.90 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -37.450 -22.402 0.745 1.00 31.58 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -37.907 -22.699 2.150 1.00 36.32 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -38.784 -23.563 2.413 1.00 36.53 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? -38.249 -21.249 0.183 1.00 28.71 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? -37.976 -21.025 -1.292 1.00 30.42 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? -38.592 -19.719 -1.719 1.00 35.09 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? -38.549 -19.590 -3.212 1.00 40.16 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? -39.212 -18.317 -3.600 1.00 44.87 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -37.290 -22.007 3.076 1.00 29.49 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -37.653 -22.104 4.462 1.00 28.51 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? -38.099 -20.731 4.870 1.00 32.91 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? -37.352 -19.775 4.774 1.00 27.94 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -36.463 -22.637 5.257 1.00 28.33 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -36.710 -22.650 6.742 1.00 28.86 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -36.058 -24.009 4.729 1.00 28.18 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? -39.358 -20.629 5.302 1.00 29.72 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? -39.986 -19.351 5.585 1.00 29.89 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? -39.815 -18.372 4.424 1.00 29.06 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? -39.606 -17.164 4.610 1.00 33.93 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? -39.523 -18.811 6.909 1.00 29.16 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? -39.941 -19.650 8.083 1.00 27.89 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? -41.284 -19.635 8.499 1.00 32.61 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? -39.065 -20.479 8.773 1.00 27.50 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? -41.739 -20.403 9.554 1.00 29.56 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? -39.538 -21.242 9.855 1.00 34.47 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? -40.890 -21.198 10.206 1.00 27.70 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? -41.405 -21.897 11.272 1.00 34.77 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? -39.916 -18.925 3.232 1.00 25.71 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? -39.902 -18.191 2.036 1.00 28.26 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? -38.501 -17.625 1.572 1.00 28.11 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? -38.399 -16.862 0.564 1.00 29.38 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? -40.917 -17.078 2.078 1.00 32.61 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? -41.333 -16.650 0.698 1.00 37.22 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? -41.420 -17.460 -0.254 1.00 42.45 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? -41.604 -15.385 0.560 1.00 41.89 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? -37.473 -18.119 2.241 1.00 28.79 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? -36.050 -17.796 1.950 1.00 25.80 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? -35.376 -19.032 1.358 1.00 26.86 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? -35.340 -20.070 2.005 1.00 28.49 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? -35.307 -17.449 3.292 1.00 26.30 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? -36.008 -16.386 4.058 1.00 25.88 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? -33.871 -16.999 3.010 1.00 25.31 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? -35.876 -16.440 5.553 1.00 26.61 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? -34.779 -18.939 0.141 1.00 23.58 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -34.024 -19.998 -0.455 1.00 26.06 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -33.009 -20.663 0.457 1.00 27.23 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -32.250 -19.992 1.153 1.00 25.49 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -33.378 -19.342 -1.643 1.00 28.76 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? -34.301 -18.247 -2.000 1.00 24.32 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? -34.714 -17.738 -0.675 1.00 23.87 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -33.078 -21.999 0.517 1.00 24.49 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -32.190 -22.812 1.339 1.00 26.29 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -31.093 -23.336 0.466 1.00 25.83 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -31.324 -24.161 -0.475 1.00 25.92 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -32.945 -24.037 1.991 1.00 28.58 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -32.057 -25.007 2.791 1.00 26.29 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -31.404 -24.336 3.962 1.00 26.22 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -32.872 -26.221 3.279 1.00 29.01 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -29.861 -22.877 0.705 1.00 23.33 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -28.795 -23.405 -0.115 1.00 22.07 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -28.606 -24.900 0.112 1.00 26.30 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -28.877 -25.446 1.167 1.00 25.15 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -27.419 -22.706 0.182 1.00 22.41 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -27.498 -21.209 -0.029 1.00 23.59 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -26.290 -20.456 0.543 1.00 25.00 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -27.601 -20.962 -1.535 1.00 24.25 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -28.059 -25.519 -0.910 1.00 28.74 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -27.916 -26.982 -0.881 1.00 31.21 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -26.886 -27.503 0.109 1.00 34.53 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -25.869 -26.842 0.389 1.00 31.56 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -27.545 -27.475 -2.266 1.00 28.77 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -28.590 -27.174 -3.298 1.00 33.63 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -28.103 -27.645 -4.641 1.00 34.47 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -29.944 -27.799 -2.936 1.00 39.75 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -27.121 -28.706 0.648 1.00 31.01 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -26.097 -29.368 1.421 1.00 31.86 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -24.774 -29.540 0.683 1.00 27.70 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -23.747 -29.339 1.274 1.00 32.00 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -26.706 -30.767 1.672 1.00 34.65 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -28.135 -30.532 1.632 1.00 35.35 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -28.321 -29.558 0.497 1.00 33.21 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -24.792 -29.949 -0.575 1.00 35.67 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -23.562 -30.147 -1.301 1.00 33.39 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -23.867 -30.238 -2.751 1.00 37.54 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -25.022 -30.388 -3.138 1.00 36.84 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -22.801 -31.373 -0.810 1.00 42.44 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -23.606 -32.501 -0.913 1.00 46.97 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -22.836 -30.007 -3.560 1.00 32.56 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -22.929 -30.067 -4.988 1.00 33.66 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -21.590 -30.689 -5.361 1.00 40.99 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -20.540 -30.314 -4.800 1.00 39.04 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -23.042 -28.686 -5.708 1.00 32.54 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -23.036 -28.866 -7.221 1.00 32.96 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -24.308 -27.903 -5.291 1.00 32.15 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -21.618 -31.647 -6.294 1.00 47.10 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -20.399 -32.384 -6.668 1.00 48.73 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -19.788 -31.826 -7.931 1.00 45.89 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -20.493 -31.401 -8.848 1.00 44.64 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -20.674 -33.890 -6.814 1.00 50.86 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -20.740 -34.458 -5.512 1.00 61.77 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.458 -31.837 -7.948 1.00 42.72 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -17.710 -31.376 -9.097 1.00 44.02 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -17.792 -29.893 -9.418 1.00 39.52 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -17.911 -29.040 -8.543 1.00 37.53 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -17.753 -29.608 -10.700 1.00 37.40 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -17.561 -28.264 -11.172 1.00 35.87 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -18.753 -27.415 -10.860 1.00 36.91 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -18.619 -26.186 -10.766 1.00 32.75 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -17.350 -28.261 -12.663 1.00 36.37 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -19.926 -28.056 -10.746 1.00 33.57 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -21.139 -27.301 -10.607 1.00 32.56 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -21.223 -26.644 -9.257 1.00 29.00 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -22.124 -25.823 -9.011 1.00 31.04 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -20.313 -26.999 -8.367 1.00 27.83 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -20.259 -26.395 -7.064 1.00 26.90 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -19.862 -24.891 -7.172 1.00 25.81 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -20.092 -24.143 -6.253 1.00 28.67 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -19.239 -27.119 -6.239 1.00 31.07 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -19.131 -26.651 -4.816 1.00 29.09 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -18.336 -27.648 -4.013 1.00 36.16 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -18.540 -27.361 -2.626 1.00 45.01 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -19.273 -28.052 -1.746 1.00 47.36 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -19.837 -29.284 -1.963 1.00 42.02 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -19.376 -27.493 -0.544 1.00 48.65 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -19.276 -24.450 -8.271 1.00 27.04 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -18.623 -23.094 -8.279 1.00 24.86 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -19.281 -22.194 -9.304 1.00 27.51 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -19.432 -22.588 -10.435 1.00 33.00 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -17.095 -23.252 -8.550 1.00 25.90 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -16.462 -24.209 -7.566 1.00 23.60 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -16.375 -23.894 -6.230 1.00 23.36 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -16.055 -25.500 -7.968 1.00 26.40 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -15.839 -24.806 -5.347 1.00 26.18 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.521 -26.402 -7.095 1.00 26.05 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.451 -26.104 -5.783 1.00 25.31 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -14.867 -26.968 -4.847 1.00 30.08 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -19.711 -21.006 -8.858 1.00 24.74 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -20.197 -19.965 -9.717 1.00 25.97 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -19.009 -19.051 -10.019 1.00 25.99 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -18.237 -18.746 -9.095 1.00 25.64 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -21.270 -19.194 -8.975 1.00 25.00 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -21.738 -17.886 -9.601 1.00 27.29 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -22.498 -18.050 -10.888 1.00 29.21 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -22.591 -17.228 -8.545 1.00 27.39 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -18.910 -18.677 -11.292 1.00 25.05 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -17.945 -17.655 -11.785 1.00 23.17 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -18.595 -16.283 -11.889 1.00 24.85 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -19.636 -16.128 -12.589 1.00 22.91 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -17.432 -18.054 -13.136 1.00 24.74 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -16.838 -19.469 -13.129 1.00 29.22 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -16.318 -19.672 -14.515 1.00 28.80 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -15.777 -19.699 -12.044 1.00 28.76 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -18.027 -15.298 -11.162 1.00 21.77 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -18.435 -13.924 -11.250 1.00 20.56 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -17.408 -13.152 -12.007 1.00 24.81 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -16.255 -13.064 -11.563 1.00 24.39 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -18.539 -13.234 -9.895 1.00 23.88 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -19.365 -13.938 -8.867 1.00 24.43 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -19.637 -12.726 -7.522 1.00 27.88 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -18.036 -12.684 -6.680 1.00 22.71 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -17.811 -12.546 -13.110 1.00 22.78 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -16.917 -11.742 -13.913 1.00 22.94 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -17.072 -10.299 -13.506 1.00 26.89 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? -18.155 -9.703 -13.716 1.00 27.60 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -17.248 -11.896 -15.416 1.00 24.21 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -17.231 -13.308 -15.870 1.00 28.41 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -16.063 -13.968 -16.192 1.00 26.54 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -18.236 -14.207 -16.022 1.00 27.99 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -16.350 -15.225 -16.488 1.00 29.18 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -17.656 -15.389 -16.386 1.00 29.21 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -16.005 -9.708 -12.949 1.00 21.31 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? -16.048 -8.345 -12.426 1.00 19.74 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? -15.119 -7.475 -13.253 1.00 24.45 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? -13.938 -7.829 -13.449 1.00 24.66 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? -15.680 -8.315 -10.938 1.00 20.43 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? -16.487 -9.195 -10.018 1.00 20.59 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? -15.948 -9.174 -8.579 1.00 19.90 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? -17.966 -8.798 -10.056 1.00 22.09 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? -15.613 -6.314 -13.689 1.00 20.47 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? -14.826 -5.392 -14.486 1.00 23.30 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? -14.698 -4.068 -13.799 1.00 24.31 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? -15.685 -3.444 -13.372 1.00 21.29 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? -15.443 -5.126 -15.854 1.00 22.88 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? -15.697 -6.349 -16.639 1.00 24.48 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? -16.705 -7.226 -16.267 1.00 24.88 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? -14.980 -6.608 -17.785 1.00 27.45 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? -16.954 -8.335 -16.988 1.00 27.45 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? -15.199 -7.767 -18.498 1.00 27.80 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? -16.231 -8.604 -18.118 1.00 28.27 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? -13.435 -3.621 -13.711 1.00 22.58 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? -13.180 -2.316 -13.156 1.00 25.88 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? -13.579 -1.217 -14.114 1.00 24.27 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? -13.930 -1.475 -15.279 1.00 22.30 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? -11.754 -2.147 -12.646 1.00 21.52 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? -10.729 -1.964 -13.729 1.00 24.01 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? -11.028 -1.816 -14.915 1.00 21.79 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? -9.446 -1.898 -13.296 1.00 25.42 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? -13.504 0.002 -13.608 1.00 22.02 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? -13.887 1.143 -14.442 1.00 29.21 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? -13.215 1.238 -15.812 1.00 29.61 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? -13.889 1.631 -16.791 1.00 26.24 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? -13.697 2.397 -13.662 1.00 28.30 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? -14.091 3.583 -14.403 1.00 32.02 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? -15.453 4.025 -14.451 1.00 32.05 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? -13.105 4.315 -15.081 1.00 35.62 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? -15.802 5.204 -15.149 1.00 35.43 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? -13.449 5.450 -15.783 1.00 36.11 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? -14.780 5.892 -15.813 1.00 36.21 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? -14.973 7.045 -16.508 1.00 40.58 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? -11.938 0.869 -15.901 1.00 24.52 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? -11.218 0.779 -17.189 1.00 29.39 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? -11.486 -0.458 -18.002 1.00 29.06 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? -10.956 -0.638 -19.130 1.00 27.47 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? -9.698 0.888 -16.947 1.00 32.67 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? -9.315 2.166 -16.225 1.00 33.15 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? -9.963 3.195 -16.438 1.00 33.83 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? -8.362 2.159 -15.430 1.00 35.99 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? -12.319 -1.363 -17.497 1.00 26.00 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? -12.669 -2.510 -18.364 1.00 29.44 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? -11.806 -3.762 -18.185 1.00 26.09 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? -11.982 -4.745 -18.900 1.00 29.90 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? -10.823 -3.672 -17.311 1.00 24.93 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? -10.026 -4.845 -16.867 1.00 25.15 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? -10.856 -5.748 -15.978 1.00 24.79 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? -11.704 -5.285 -15.232 1.00 27.14 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? -8.773 -4.364 -16.128 1.00 28.77 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? -7.772 -3.695 -17.057 1.00 34.57 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? -7.788 -3.894 -18.267 1.00 44.69 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? -6.854 -2.982 -16.489 1.00 44.34 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -10.558 -7.010 -15.989 1.00 27.12 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -11.445 -8.009 -15.399 1.00 26.70 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -10.752 -9.085 -14.609 1.00 24.54 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -9.633 -9.541 -14.906 1.00 24.90 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -12.368 -8.677 -16.451 1.00 32.40 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -13.278 -9.562 -15.799 1.00 29.99 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -11.565 -9.381 -17.573 1.00 34.14 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -11.398 -9.455 -13.519 1.00 22.69 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -11.075 -10.713 -12.848 1.00 20.58 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -12.340 -11.627 -12.830 1.00 23.35 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -13.463 -11.144 -12.949 1.00 22.75 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -10.620 -10.494 -11.420 1.00 20.70 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -11.706 -9.828 -10.539 1.00 20.52 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -9.415 -9.586 -11.377 1.00 22.89 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -11.378 -9.763 -9.081 1.00 20.04 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -12.109 -12.927 -12.752 1.00 21.85 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -13.205 -13.878 -12.514 1.00 21.30 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -13.053 -14.463 -11.151 1.00 20.69 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -11.965 -14.974 -10.798 1.00 19.93 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -13.159 -14.963 -13.584 1.00 23.55 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -13.189 -14.348 -14.874 1.00 25.08 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -14.333 -15.891 -13.420 1.00 22.78 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -14.113 -14.399 -10.360 1.00 19.44 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -14.103 -14.840 -8.980 1.00 19.50 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -14.913 -16.142 -8.880 1.00 22.69 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -16.045 -16.197 -9.337 1.00 24.40 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -14.709 -13.821 -8.053 1.00 19.45 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -14.709 -14.305 -6.641 1.00 19.88 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -13.947 -12.481 -8.162 1.00 18.90 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -14.312 -17.142 -8.269 1.00 21.95 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -15.031 -18.439 -7.981 1.00 23.06 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -15.660 -18.472 -6.635 1.00 20.80 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -15.036 -18.244 -5.605 1.00 19.77 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -14.106 -19.647 -8.173 1.00 22.53 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -16.982 -18.745 -6.644 1.00 21.36 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -17.825 -18.774 -5.487 1.00 20.17 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -18.495 -20.174 -5.334 1.00 21.51 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -19.028 -20.708 -6.309 1.00 24.36 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -18.960 -17.721 -5.604 1.00 18.08 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -19.916 -17.743 -4.446 1.00 19.53 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -18.405 -16.314 -5.854 1.00 20.02 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -18.337 -20.703 -4.146 1.00 21.46 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -18.933 -21.959 -3.706 1.00 25.14 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -20.462 -21.695 -3.497 1.00 22.75 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -20.864 -20.902 -2.655 1.00 22.60 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -18.254 -22.493 -2.437 1.00 21.55 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -18.841 -23.888 -2.002 1.00 26.26 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -20.057 -24.050 -2.153 1.00 26.19 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -18.123 -24.734 -1.488 1.00 29.05 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -21.281 -22.397 -4.311 1.00 25.56 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -22.718 -22.088 -4.343 1.00 25.88 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -23.490 -22.659 -3.135 1.00 26.30 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -24.661 -22.314 -2.957 1.00 28.57 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -23.406 -22.461 -5.616 1.00 25.55 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -22.765 -21.841 -6.848 1.00 26.77 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -23.531 -23.984 -5.744 1.00 27.93 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -22.850 -23.434 -2.298 1.00 25.05 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -23.464 -23.985 -1.098 1.00 26.52 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -23.343 -23.047 0.067 1.00 25.59 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -24.120 -23.102 0.987 1.00 26.01 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -22.829 -25.372 -0.666 1.00 27.74 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -21.474 -25.193 -0.196 1.00 29.00 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -22.896 -26.328 -1.808 1.00 28.65 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -22.358 -22.119 0.030 1.00 22.53 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -22.161 -21.262 1.175 1.00 20.67 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -21.811 -19.751 0.850 1.00 17.67 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -21.659 -19.012 1.777 1.00 20.29 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -21.104 -21.798 2.102 1.00 25.22 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -19.776 -22.071 1.372 1.00 25.14 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -19.504 -21.547 0.262 1.00 23.34 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -18.990 -22.967 1.961 1.00 29.44 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -21.719 -19.442 -0.407 1.00 19.44 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -21.396 -18.113 -1.018 1.00 21.02 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -19.960 -17.719 -0.614 1.00 20.92 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -19.671 -16.508 -0.513 1.00 20.76 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -22.405 -16.949 -0.685 1.00 21.23 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -22.509 -16.075 -1.911 1.00 21.73 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -23.817 -17.490 -0.299 1.00 24.76 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -19.120 -18.706 -0.281 1.00 21.85 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -17.714 -18.418 0.008 1.00 22.76 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -16.910 -18.196 -1.238 1.00 22.52 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -16.976 -18.915 -2.169 1.00 21.14 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -17.076 -19.546 0.759 1.00 23.86 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -17.428 -19.642 2.235 1.00 24.91 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -16.555 -20.270 3.108 1.00 34.30 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -18.639 -19.203 2.751 1.00 26.90 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -16.869 -20.422 4.466 1.00 38.40 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -18.984 -19.333 4.106 1.00 31.61 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -18.097 -19.947 4.965 1.00 38.83 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -18.383 -20.089 6.310 1.00 42.01 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -16.091 -17.156 -1.252 1.00 21.57 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -15.203 -16.960 -2.391 1.00 21.43 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -14.002 -17.891 -2.173 1.00 20.05 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -13.459 -17.915 -1.065 1.00 20.78 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -14.729 -15.481 -2.408 1.00 23.29 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -15.891 -14.642 -2.972 1.00 24.14 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -13.514 -15.311 -3.293 1.00 23.25 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -15.645 -13.148 -2.885 1.00 28.28 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -13.692 -18.663 -3.183 1.00 19.40 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -12.605 -19.683 -3.132 1.00 21.13 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.258 -19.104 -3.701 1.00 19.18 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -10.172 -19.537 -3.278 1.00 19.22 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -12.988 -20.898 -3.966 1.00 22.98 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -14.110 -21.814 -3.356 1.00 25.01 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -13.688 -22.463 -1.753 1.00 31.49 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -14.413 -21.294 -0.656 1.00 29.47 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -11.388 -18.251 -4.683 1.00 20.94 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.233 -17.733 -5.453 1.00 19.53 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -10.672 -16.968 -6.640 1.00 22.87 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -11.883 -16.707 -6.807 1.00 22.06 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.707 -16.579 -7.474 1.00 20.56 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -10.019 -15.727 -8.623 1.00 20.90 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -8.926 -15.892 -9.656 1.00 20.74 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -7.812 -16.288 -9.373 1.00 20.34 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -10.242 -14.230 -8.190 1.00 21.73 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -9.059 -13.662 -7.464 1.00 18.87 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -8.903 -13.857 -6.105 1.00 20.49 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -8.091 -12.931 -8.119 1.00 18.76 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.809 -13.430 -5.438 1.00 18.73 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -6.965 -12.545 -7.456 1.00 20.80 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -6.820 -12.748 -6.130 1.00 22.21 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -5.704 -12.301 -5.412 1.00 22.95 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -9.253 -15.518 -10.853 1.00 19.42 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -8.381 -15.491 -11.988 1.00 21.33 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.138 -14.047 -12.421 1.00 22.67 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -9.099 -13.272 -12.678 1.00 21.72 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -9.008 -16.221 -13.152 1.00 25.49 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -8.355 -16.222 -14.528 1.00 23.33 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -6.966 -16.874 -14.320 1.00 27.46 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -9.061 -17.074 -15.610 1.00 27.59 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -6.885 -13.675 -12.545 1.00 20.36 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -6.521 -12.344 -13.039 1.00 24.03 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -5.482 -12.486 -14.177 1.00 27.65 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -4.364 -12.924 -13.953 1.00 23.47 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -6.059 -11.425 -11.911 1.00 23.04 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -5.924 -12.188 -15.396 1.00 32.72 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -5.217 -12.515 -16.629 1.00 33.12 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -4.860 -14.006 -16.753 1.00 30.93 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -5.729 -14.859 -17.078 1.00 33.68 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -4.016 -11.576 -16.785 1.00 40.75 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -3.192 -11.675 -18.089 1.00 40.85 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -3.977 -11.978 -19.370 1.00 41.52 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -2.342 -10.456 -18.253 1.00 45.74 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -3.611 -14.368 -16.525 1.00 28.13 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -3.217 -15.769 -16.736 1.00 27.99 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -2.759 -16.391 -15.424 1.00 25.84 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -2.219 -17.481 -15.417 1.00 27.85 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -2.095 -15.897 -17.812 1.00 28.37 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -0.916 -15.186 -17.386 1.00 25.99 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -2.577 -15.386 -19.173 1.00 32.86 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -3.044 -15.738 -14.295 1.00 23.18 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -2.699 -16.258 -13.008 1.00 22.10 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -3.927 -16.479 -12.181 1.00 22.03 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -4.775 -15.573 -12.037 1.00 21.99 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -1.775 -15.308 -12.271 1.00 19.78 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -0.582 -15.020 -13.031 1.00 22.02 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -1.331 -15.812 -10.974 1.00 21.08 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -4.019 -17.660 -11.589 1.00 20.14 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -5.067 -17.942 -10.647 1.00 20.81 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -4.580 -17.795 -9.266 1.00 19.91 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -3.372 -17.997 -8.978 1.00 19.84 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -5.641 -19.340 -10.902 1.00 22.89 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -4.699 -20.333 -10.575 1.00 23.00 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -5.449 -17.390 -8.354 1.00 20.64 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -5.123 -17.254 -6.946 1.00 18.45 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -6.206 -17.955 -6.077 1.00 21.23 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -7.423 -17.692 -6.318 1.00 20.99 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -5.193 -15.720 -6.602 1.00 19.88 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -4.233 -14.858 -7.425 1.00 18.42 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -4.542 -14.432 -8.706 1.00 19.51 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -2.994 -14.557 -6.929 1.00 22.29 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -3.680 -13.681 -9.471 1.00 19.88 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -2.102 -13.825 -7.690 1.00 22.90 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -2.473 -13.371 -8.938 1.00 18.61 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -1.612 -12.620 -9.696 1.00 23.71 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -5.820 -18.704 -5.054 1.00 20.35 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -6.724 -19.432 -4.188 1.00 18.15 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -6.326 -19.207 -2.779 1.00 19.02 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -5.113 -19.139 -2.399 1.00 21.67 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -6.752 -20.969 -4.540 1.00 19.66 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -7.286 -21.272 -5.888 1.00 20.08 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -8.631 -21.524 -6.012 1.00 21.85 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -6.495 -21.343 -6.998 1.00 20.17 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -9.178 -21.793 -7.270 1.00 21.05 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -7.020 -21.608 -8.228 1.00 21.03 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -8.387 -21.802 -8.376 1.00 22.80 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -7.326 -19.185 -1.904 1.00 20.21 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -7.077 -19.147 -0.471 1.00 18.43 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -6.322 -20.421 -0.023 1.00 21.48 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -6.491 -21.492 -0.659 1.00 20.72 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -8.416 -19.018 0.300 1.00 20.13 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -9.023 -17.620 0.236 1.00 19.83 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -8.252 -16.524 0.686 1.00 19.50 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.278 -17.390 -0.314 1.00 20.77 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.717 -15.218 0.564 1.00 20.83 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -10.799 -16.099 -0.306 1.00 21.97 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -10.021 -15.033 0.069 1.00 22.48 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -5.606 -20.280 1.075 1.00 23.20 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -4.755 -21.351 1.656 1.00 24.85 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -5.646 -22.128 2.628 1.00 22.82 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -5.645 -21.909 3.853 1.00 25.14 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -3.581 -20.758 2.417 1.00 24.03 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -2.588 -21.844 2.889 1.00 25.30 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -1.834 -21.664 3.849 1.00 34.15 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -2.565 -22.903 2.191 1.00 24.81 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -6.517 -22.935 2.020 1.00 25.49 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -7.537 -23.728 2.787 1.00 28.45 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -8.024 -24.878 1.927 1.00 22.84 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -8.007 -24.840 0.666 1.00 24.06 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -8.703 -22.866 3.288 1.00 24.98 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -9.555 -22.381 2.114 1.00 25.69 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -10.460 -21.175 2.399 1.00 29.30 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -10.252 -20.432 3.377 1.00 27.63 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -11.421 -21.000 1.615 1.00 35.23 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -8.441 -25.955 2.606 1.00 27.83 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -8.755 -27.160 1.784 1.00 28.43 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -9.879 -27.038 0.792 1.00 25.42 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -9.803 -27.595 -0.342 1.00 30.98 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -9.042 -28.242 2.833 1.00 28.78 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -8.392 -27.786 4.072 1.00 31.01 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -8.276 -26.265 4.043 1.00 26.07 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -10.884 -26.248 1.136 1.00 27.18 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -11.998 -26.015 0.218 1.00 26.49 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -11.553 -25.330 -1.015 1.00 24.82 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -12.064 -25.620 -2.063 1.00 23.68 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -13.106 -25.225 0.879 1.00 29.40 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -10.604 -24.392 -0.904 1.00 23.27 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -10.088 -23.724 -2.112 1.00 25.10 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -9.160 -24.563 -2.920 1.00 24.80 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -9.130 -24.483 -4.175 1.00 25.49 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -9.422 -22.414 -1.696 1.00 26.05 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -8.338 -25.353 -2.232 1.00 26.10 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -7.486 -26.311 -2.920 1.00 29.57 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -8.378 -27.262 -3.717 1.00 25.86 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -8.123 -27.490 -4.867 1.00 25.64 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -6.559 -27.095 -1.972 1.00 33.17 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -5.564 -28.049 -2.734 1.00 40.80 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -5.222 -27.859 -3.964 1.00 41.98 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -5.083 -29.004 -2.055 1.00 55.67 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -9.468 -27.750 -3.124 1.00 27.94 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -10.417 -28.584 -3.906 1.00 26.85 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -10.968 -27.825 -5.116 1.00 26.86 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -11.016 -28.346 -6.191 1.00 27.01 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -11.595 -28.998 -3.027 1.00 32.28 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -12.786 -29.718 -3.691 1.00 38.72 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -12.333 -31.005 -4.344 1.00 42.07 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -13.917 -29.944 -2.687 1.00 37.24 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -11.438 -26.587 -4.916 1.00 25.24 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -11.936 -25.763 -6.037 1.00 25.00 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -10.937 -25.639 -7.170 1.00 23.05 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -11.290 -25.603 -8.352 1.00 22.75 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -12.404 -24.363 -5.541 1.00 26.65 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -9.649 -25.570 -6.813 1.00 22.73 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -8.597 -25.395 -7.839 1.00 24.45 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -8.466 -26.615 -8.744 1.00 28.65 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -7.858 -26.537 -9.803 1.00 22.86 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -7.255 -25.051 -7.173 1.00 26.51 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -6.525 -26.175 -6.642 1.00 24.86 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -9.141 -27.707 -8.355 1.00 28.44 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -9.211 -28.882 -9.217 1.00 28.77 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -10.191 -28.662 -10.306 1.00 31.76 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -10.066 -29.283 -11.379 1.00 34.68 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -9.553 -30.124 -8.381 1.00 32.03 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -8.487 -30.462 -7.355 1.00 37.08 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -8.812 -31.672 -6.492 1.00 46.88 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -9.313 -32.663 -6.987 1.00 51.97 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -8.520 -31.591 -5.195 1.00 56.70 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -11.137 -27.743 -10.102 1.00 28.78 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -12.210 -27.548 -11.072 1.00 30.65 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -12.188 -26.244 -11.847 1.00 33.47 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -12.646 -26.201 -12.994 1.00 32.03 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -13.556 -27.695 -10.351 1.00 33.54 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -13.695 -29.071 -9.774 1.00 34.15 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -14.148 -30.125 -10.568 1.00 37.53 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -13.369 -29.328 -8.484 1.00 34.63 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -14.236 -31.408 -10.053 1.00 39.73 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -13.464 -30.602 -7.951 1.00 41.59 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -13.907 -31.633 -8.744 1.00 41.55 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -14.027 -32.888 -8.180 1.00 42.23 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -11.743 -25.144 -11.233 1.00 26.75 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -11.884 -23.836 -11.916 1.00 25.50 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -10.520 -23.203 -12.224 1.00 23.94 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -9.576 -23.474 -11.489 1.00 24.53 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -12.652 -22.793 -11.051 1.00 27.84 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -14.092 -23.269 -10.798 1.00 29.65 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -11.974 -22.482 -9.719 1.00 27.79 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -10.447 -22.502 -13.331 1.00 23.55 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -9.221 -21.745 -13.774 1.00 23.45 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -8.050 -22.632 -14.057 1.00 28.39 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -6.913 -22.171 -14.000 1.00 29.13 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -8.798 -20.741 -12.669 1.00 23.24 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -9.908 -19.880 -12.146 1.00 24.61 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -10.937 -19.415 -12.963 1.00 24.24 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -9.945 -19.531 -10.799 1.00 24.63 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -11.940 -18.584 -12.434 1.00 21.80 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -10.952 -18.725 -10.275 1.00 25.58 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -11.979 -18.293 -11.093 1.00 25.96 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -8.308 -23.904 -14.397 1.00 30.89 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -7.204 -24.825 -14.711 1.00 33.35 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -6.325 -24.398 -15.881 1.00 33.07 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -5.186 -24.806 -15.966 1.00 34.81 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -7.774 -26.215 -14.930 1.00 35.03 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -8.437 -26.739 -13.657 1.00 35.34 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -7.574 -27.623 -12.822 1.00 46.21 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -6.804 -28.507 -13.685 1.00 45.64 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -7.204 -29.679 -14.169 1.00 52.10 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -6.368 -30.354 -14.958 1.00 48.61 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -8.414 -30.175 -13.904 1.00 54.65 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -6.854 -23.532 -16.733 1.00 31.41 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -6.170 -23.023 -17.898 1.00 31.75 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -5.196 -21.836 -17.558 1.00 27.82 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -4.474 -21.430 -18.438 1.00 31.45 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -7.178 -22.548 -18.929 1.00 32.20 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -8.188 -21.714 -18.338 1.00 47.52 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -5.150 -21.379 -16.294 1.00 28.78 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -4.200 -20.376 -15.863 1.00 23.41 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -2.809 -20.932 -16.135 1.00 27.61 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -2.557 -22.115 -15.961 1.00 28.53 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -4.337 -20.038 -14.370 1.00 23.03 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -1.911 -20.058 -16.547 1.00 29.02 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -0.501 -20.440 -16.736 1.00 31.34 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 0.188 -20.709 -15.413 1.00 26.15 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 1.118 -21.533 -15.323 1.00 26.97 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 0.239 -19.348 -17.524 1.00 35.38 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? -0.267 -19.192 -18.953 1.00 39.29 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 0.646 -18.240 -19.757 1.00 51.22 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 2.048 -18.713 -19.698 1.00 62.56 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 3.101 -18.041 -19.209 1.00 73.85 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 2.990 -16.785 -18.758 1.00 75.09 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 4.299 -18.636 -19.198 1.00 74.39 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -0.220 -20.069 -14.344 1.00 24.05 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 0.311 -20.406 -13.025 1.00 24.26 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -0.738 -20.164 -11.973 1.00 23.70 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -1.679 -19.395 -12.201 1.00 26.64 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 1.578 -19.611 -12.659 1.00 28.97 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 1.346 -18.114 -12.727 1.00 27.79 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 2.412 -17.322 -11.934 1.00 30.34 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 1.982 -15.911 -11.927 1.00 30.33 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 2.622 -14.875 -11.366 1.00 30.67 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 3.816 -14.998 -10.754 1.00 30.01 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 2.027 -13.678 -11.440 1.00 28.87 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -0.563 -20.858 -10.881 1.00 21.55 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -1.462 -20.823 -9.781 1.00 23.35 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -0.716 -20.426 -8.512 1.00 23.84 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 0.264 -21.083 -8.141 1.00 24.45 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -2.151 -22.171 -9.569 1.00 23.01 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -2.882 -22.238 -8.252 1.00 22.90 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -3.707 -23.497 -8.096 1.00 25.17 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -2.919 -24.598 -7.416 1.00 29.00 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -3.758 -25.847 -7.401 1.00 34.90 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -1.154 -19.329 -7.889 1.00 21.34 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -0.673 -18.887 -6.617 1.00 18.47 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -1.628 -19.176 -5.491 1.00 19.11 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -2.848 -18.832 -5.563 1.00 21.48 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -0.303 -17.332 -6.657 1.00 19.11 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 0.771 -17.084 -7.692 1.00 22.83 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -0.042 -16.838 -5.246 1.00 20.17 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 1.219 -15.611 -7.862 1.00 24.37 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -1.108 -19.759 -4.421 1.00 18.98 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -1.885 -19.923 -3.245 1.00 20.07 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -1.578 -18.705 -2.403 1.00 22.48 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -0.452 -18.472 -2.011 1.00 19.81 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -1.625 -21.248 -2.487 1.00 23.03 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -1.827 -22.362 -3.433 1.00 21.75 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -2.457 -21.361 -1.268 1.00 22.83 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -2.624 -17.988 -2.065 1.00 19.08 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -2.484 -16.834 -1.183 1.00 19.54 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -1.984 -17.294 0.194 1.00 20.14 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -2.258 -18.433 0.633 1.00 23.15 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -3.834 -16.103 -1.030 1.00 18.57 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -4.391 -15.579 -2.343 1.00 21.16 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -5.856 -15.187 -2.175 1.00 22.59 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -3.557 -14.390 -2.819 1.00 22.42 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -1.296 -16.426 0.923 1.00 19.21 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -0.702 -16.808 2.244 1.00 22.80 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -1.660 -16.602 3.413 1.00 26.19 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -1.268 -16.174 4.537 1.00 26.78 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 0.545 -15.912 2.333 1.00 22.14 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 0.136 -14.681 1.540 1.00 19.65 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -0.765 -15.142 0.432 1.00 20.65 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -2.936 -16.870 3.164 1.00 22.59 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -3.910 -16.851 4.195 1.00 23.51 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -5.165 -17.598 3.695 1.00 20.95 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -5.401 -17.732 2.455 1.00 20.63 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -4.343 -15.371 4.624 1.00 21.63 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -4.327 -14.393 3.478 1.00 20.99 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -5.329 -14.348 2.526 1.00 21.10 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -3.247 -13.468 3.343 1.00 22.79 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -5.251 -13.473 1.431 1.00 20.04 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -3.201 -12.571 2.299 1.00 20.76 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -4.169 -12.529 1.362 1.00 19.37 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -4.110 -11.684 0.329 1.00 19.22 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -5.944 -18.049 4.652 1.00 21.84 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -7.308 -18.515 4.378 1.00 23.67 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -8.263 -17.326 4.161 1.00 23.44 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -7.861 -16.133 4.302 1.00 23.05 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -7.863 -19.306 5.538 1.00 24.78 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -7.894 -18.569 6.746 1.00 30.74 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -9.509 -17.654 3.825 1.00 24.73 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -10.485 -16.624 3.457 1.00 23.79 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -11.380 -16.142 4.567 1.00 24.72 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -12.257 -15.358 4.338 1.00 26.74 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -11.207 -16.556 5.772 1.00 25.67 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -12.116 -16.021 6.769 1.00 31.90 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -11.724 -14.647 7.274 1.00 29.85 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -10.549 -14.213 7.189 1.00 24.33 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -12.232 -16.934 7.894 1.00 37.17 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -10.955 -17.151 8.522 1.00 38.86 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.181 -17.918 7.997 1.00 50.11 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -10.691 -16.474 9.631 1.00 38.57 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -12.738 -13.902 7.665 1.00 25.36 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -12.513 -12.516 8.056 1.00 25.30 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -11.390 -12.299 9.040 1.00 26.40 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -10.632 -11.313 8.897 1.00 25.13 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -13.786 -11.994 8.675 1.00 25.43 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -14.873 -11.646 7.668 1.00 23.81 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -14.596 -10.992 6.528 1.00 23.89 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -16.224 -11.924 7.953 1.00 26.62 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -15.619 -10.600 5.642 1.00 28.29 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -17.260 -11.542 7.112 1.00 24.90 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -16.985 -10.890 5.935 1.00 23.59 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -17.999 -10.473 5.041 1.00 22.30 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -11.302 -13.113 10.087 1.00 27.25 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -10.197 -12.953 11.066 1.00 32.97 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -8.787 -12.987 10.394 1.00 25.23 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -7.975 -12.072 10.552 1.00 28.12 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -10.294 -13.996 12.182 1.00 40.82 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -8.972 -14.258 12.927 1.00 53.44 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -8.852 -15.632 13.660 1.00 62.80 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -8.390 -15.621 14.824 1.00 66.41 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -9.140 -16.723 13.084 1.00 65.40 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -8.533 -13.988 9.598 1.00 24.68 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -7.245 -14.098 8.924 1.00 25.23 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -6.982 -13.009 7.921 1.00 24.99 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -5.867 -12.549 7.790 1.00 22.70 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -7.122 -15.438 8.192 1.00 29.74 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -7.091 -16.624 9.141 1.00 33.94 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -5.847 -16.560 10.029 1.00 39.46 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -6.074 -17.397 11.203 1.00 54.80 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -5.251 -17.475 12.251 1.00 61.63 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -5.573 -18.295 13.245 1.00 62.05 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -4.127 -16.738 12.316 1.00 55.35 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -8.004 -12.652 7.128 1.00 23.27 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -7.857 -11.540 6.168 1.00 22.13 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -7.551 -10.206 6.839 1.00 20.65 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -6.738 -9.452 6.318 1.00 22.73 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -9.119 -11.445 5.334 1.00 22.22 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -9.287 -12.492 4.287 1.00 20.22 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -10.706 -12.379 3.670 1.00 19.64 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -8.331 -12.290 3.116 1.00 22.60 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -8.159 -9.932 7.987 1.00 23.73 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -7.964 -8.688 8.720 1.00 21.71 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -6.560 -8.648 9.264 1.00 25.67 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -5.941 -7.601 9.272 1.00 25.33 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -8.976 -8.589 9.886 1.00 22.51 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -10.415 -8.254 9.359 1.00 22.38 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -11.542 -8.189 10.398 1.00 24.98 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -12.671 -7.744 10.073 1.00 28.14 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -11.248 -8.499 11.653 1.00 27.18 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -6.086 -9.799 9.731 1.00 24.16 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -4.672 -9.934 10.190 1.00 25.96 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -3.716 -9.590 9.053 1.00 23.15 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -2.810 -8.776 9.196 1.00 22.37 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -4.379 -11.323 10.820 1.00 28.67 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -5.094 -11.467 12.172 1.00 32.15 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -2.866 -11.536 11.024 1.00 30.27 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -5.092 -12.861 12.818 1.00 33.63 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -3.942 -10.176 7.880 1.00 24.38 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -3.113 -9.923 6.727 1.00 23.91 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -3.168 -8.513 6.235 1.00 27.36 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -2.135 -7.938 5.864 1.00 25.08 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -3.435 -10.898 5.616 1.00 20.90 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.367 -7.928 6.253 1.00 24.84 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -4.581 -6.570 5.825 1.00 24.06 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -4.051 -5.551 6.812 1.00 27.41 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -3.744 -4.426 6.402 1.00 27.74 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -6.059 -6.317 5.610 1.00 24.72 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -4.003 -5.904 8.084 1.00 28.19 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -3.486 -5.037 9.104 1.00 30.59 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -4.543 -4.134 9.726 1.00 33.58 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -4.235 -3.160 10.419 1.00 32.05 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -5.804 -4.432 9.473 1.00 27.90 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? -6.859 -3.606 10.008 1.00 30.00 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? -8.196 -4.394 10.044 1.00 27.09 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -8.412 -5.272 9.233 1.00 25.54 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? -6.982 -2.316 9.246 1.00 32.97 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? -7.109 -2.503 7.773 1.00 36.01 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? -7.119 -1.201 6.992 1.00 42.04 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? -6.481 -0.006 7.678 1.00 54.82 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? -6.749 1.257 6.892 1.00 60.05 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? -9.042 -4.100 11.022 1.00 27.30 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? -10.365 -4.775 10.992 1.00 27.13 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? -11.256 -4.208 9.861 1.00 27.88 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? -11.130 -3.015 9.425 1.00 28.87 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? -10.958 -4.444 12.367 1.00 28.33 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? -10.354 -3.129 12.700 1.00 29.87 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? -8.936 -3.160 12.154 1.00 30.68 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? -12.288 -4.930 9.510 1.00 29.81 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? -13.056 -4.357 8.462 1.00 28.69 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? -13.977 -3.184 8.836 1.00 26.70 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? -14.407 -2.442 7.962 1.00 25.23 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? -13.626 -5.428 7.615 1.00 36.64 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? -14.802 -5.987 8.270 1.00 28.54 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? -14.954 -7.332 7.665 1.00 28.72 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? -16.170 -7.918 8.195 1.00 28.95 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? -16.266 -8.608 9.342 1.00 31.36 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -15.237 -8.797 10.093 1.00 36.83 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? -17.436 -9.115 9.732 1.00 26.32 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? -14.141 -2.922 10.126 1.00 25.06 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? -14.757 -1.689 10.615 1.00 31.02 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? -14.070 -0.443 10.139 1.00 25.25 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? -14.629 0.644 10.154 1.00 26.91 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? -14.676 -1.655 12.152 1.00 36.02 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? -15.656 -2.605 12.812 1.00 41.84 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? -15.180 -4.041 13.026 1.00 39.45 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? -14.281 -4.593 12.333 1.00 34.35 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? -15.794 -4.652 13.920 1.00 41.96 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? -12.813 -0.570 9.769 1.00 26.34 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? -12.013 0.575 9.390 1.00 28.23 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? -11.792 0.632 7.908 1.00 27.35 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? -11.081 1.546 7.457 1.00 26.54 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? -10.680 0.527 10.109 1.00 30.38 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? -10.827 0.538 11.618 1.00 35.51 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? -10.840 1.939 12.179 1.00 48.91 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? -9.425 2.418 12.493 1.00 60.62 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? -8.831 1.822 13.732 1.00 65.85 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? -12.357 -0.303 7.116 1.00 21.17 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -12.090 -0.345 5.666 1.00 20.79 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -13.363 0.115 4.953 1.00 22.82 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -14.429 -0.547 5.098 1.00 19.42 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -11.761 -1.768 5.140 1.00 20.78 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -10.546 -2.314 5.873 1.00 23.13 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -11.546 -1.793 3.609 1.00 20.29 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -10.208 -3.770 5.554 1.00 23.93 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? -13.294 1.239 4.232 1.00 20.83 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? -14.452 1.751 3.500 1.00 21.17 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? -14.882 0.773 2.439 1.00 20.54 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? -13.998 0.079 1.793 1.00 20.46 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? -13.967 3.072 2.893 1.00 20.35 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? -12.766 3.456 3.648 1.00 23.58 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? -12.129 2.187 4.143 1.00 21.78 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? -16.209 0.611 2.324 1.00 20.16 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? -16.778 -0.188 1.215 1.00 17.53 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? -17.750 0.641 0.422 1.00 19.26 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? -18.147 1.760 0.868 1.00 20.87 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? -17.432 -1.514 1.716 1.00 21.24 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? -18.559 -1.209 2.689 1.00 22.09 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? -16.396 -2.338 2.428 1.00 21.63 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? -19.317 -2.435 3.239 1.00 25.60 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? -18.075 0.151 -0.754 1.00 19.68 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -18.817 0.890 -1.739 1.00 19.30 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -18.431 0.468 -3.111 1.00 20.70 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -17.599 -0.418 -3.271 1.00 20.22 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? -19.060 1.078 -4.093 1.00 18.11 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? -18.756 0.818 -5.514 1.00 18.30 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? -17.334 1.345 -5.891 1.00 18.69 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? -16.641 0.638 -6.597 1.00 20.00 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? -19.827 1.286 -6.492 1.00 21.33 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? -21.168 0.512 -6.287 1.00 21.36 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? -22.132 0.966 -7.353 1.00 19.42 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? -20.961 -1.002 -6.299 1.00 21.89 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? -16.987 2.557 -5.444 1.00 19.96 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? -15.557 2.958 -5.691 1.00 18.24 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? -14.532 1.975 -5.068 1.00 17.75 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? -13.590 1.618 -5.761 1.00 19.16 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? -15.491 4.395 -5.059 1.00 17.80 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? -16.925 4.918 -5.190 1.00 18.93 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? -17.779 3.675 -4.853 1.00 17.81 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? -14.794 1.502 -3.866 1.00 16.71 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? -13.934 0.537 -3.147 1.00 17.98 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? -13.862 -0.761 -3.939 1.00 18.50 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? -12.761 -1.341 -4.044 1.00 16.51 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? -14.369 0.315 -1.708 1.00 20.19 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? -14.971 -1.201 -4.512 1.00 19.08 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? -14.986 -2.388 -5.394 1.00 18.56 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? -14.165 -2.244 -6.619 1.00 21.46 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? -13.380 -3.128 -6.970 1.00 19.26 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? -16.389 -2.806 -5.761 1.00 19.00 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? -16.552 -4.137 -6.515 1.00 21.35 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? -15.783 -5.323 -5.952 1.00 20.49 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? -18.023 -4.476 -6.575 1.00 23.64 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? -14.263 -1.100 -7.258 1.00 19.14 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? -13.380 -0.824 -8.401 1.00 22.01 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? -11.888 -0.851 -8.010 1.00 16.74 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? -11.044 -1.465 -8.719 1.00 20.74 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? -13.754 0.568 -8.918 1.00 22.83 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? -13.046 0.925 -10.214 1.00 28.92 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? -12.790 0.059 -11.080 1.00 26.95 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? -12.835 2.106 -10.357 1.00 28.68 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? -11.539 -0.271 -6.842 1.00 19.38 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? -10.157 -0.353 -6.380 1.00 22.01 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? -9.762 -1.818 -6.127 1.00 21.08 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? -8.602 -2.206 -6.329 1.00 19.76 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? -10.006 0.418 -5.055 1.00 25.60 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? -10.465 1.745 -5.249 1.00 41.32 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? -8.721 0.485 -4.610 1.00 25.26 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? -10.699 -2.600 -5.571 1.00 20.28 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? -10.383 -3.973 -5.135 1.00 19.94 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? -10.011 -4.792 -6.349 1.00 19.74 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -9.017 -5.553 -6.340 1.00 19.73 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? -11.611 -4.596 -4.377 1.00 19.37 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? -10.794 -4.676 -7.399 1.00 19.84 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? -10.622 -5.415 -8.620 1.00 19.60 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? -9.257 -5.037 -9.160 1.00 22.23 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -8.477 -5.912 -9.619 1.00 23.21 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? -11.687 -5.047 -9.700 1.00 19.78 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? -13.032 -5.530 -9.215 1.00 20.50 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? -11.362 -5.604 -11.071 1.00 21.93 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? -14.266 -4.952 -9.861 1.00 19.87 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? -8.978 -3.728 -9.183 1.00 21.67 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? -7.711 -3.232 -9.688 1.00 22.55 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -6.514 -3.791 -8.943 1.00 23.10 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -5.521 -4.214 -9.575 1.00 21.96 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? -7.672 -1.692 -9.709 1.00 24.40 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? -8.713 -1.240 -10.549 1.00 29.30 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -6.616 -3.839 -7.615 1.00 17.85 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -5.596 -4.374 -6.809 1.00 20.79 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -5.327 -5.843 -7.114 1.00 21.28 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -4.158 -6.335 -7.123 1.00 19.24 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -5.965 -4.244 -5.358 1.00 18.96 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? -5.813 -2.847 -4.977 1.00 21.43 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -5.030 -5.049 -4.384 1.00 21.41 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -6.417 -6.558 -7.303 1.00 18.68 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -6.304 -8.015 -7.475 1.00 19.79 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -5.714 -8.388 -8.801 1.00 19.77 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.169 -9.521 -8.992 1.00 22.46 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -7.659 -8.640 -7.214 1.00 18.65 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -8.150 -8.571 -5.777 1.00 18.28 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -9.506 -9.273 -5.778 1.00 21.68 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -7.220 -9.154 -4.724 1.00 19.33 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -5.641 -7.429 -9.717 1.00 20.28 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -5.052 -7.690 -11.028 1.00 23.63 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -3.544 -8.023 -10.971 1.00 28.37 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -3.039 -8.706 -11.873 1.00 31.06 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -5.210 -6.504 -11.959 1.00 26.29 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -6.665 -6.165 -12.367 1.00 30.93 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -6.713 -4.778 -12.974 1.00 36.64 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -7.261 -7.141 -13.335 1.00 32.11 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -2.868 -7.479 -9.985 1.00 24.71 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -1.446 -7.800 -9.796 1.00 31.24 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -1.164 -8.140 -8.366 1.00 25.60 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -1.430 -7.355 -7.448 1.00 29.50 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -0.516 -6.685 -10.248 1.00 33.15 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -0.750 -6.257 -11.670 1.00 36.04 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -1.494 -5.141 -11.988 1.00 39.73 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -0.438 -6.852 -12.845 1.00 38.20 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -1.605 -5.041 -13.307 1.00 37.48 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -0.957 -6.057 -13.850 1.00 43.13 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -0.443 -9.250 -8.214 1.00 26.14 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -0.253 -9.843 -6.949 1.00 23.13 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 0.443 -8.923 -5.963 1.00 23.03 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 1.569 -8.446 -6.196 1.00 21.03 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 0.528 -11.199 -7.109 1.00 21.76 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 0.771 -11.871 -5.788 1.00 19.57 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -0.305 -12.333 -4.960 1.00 19.05 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 2.062 -12.152 -5.341 1.00 19.60 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -0.077 -12.947 -3.725 1.00 19.71 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 2.257 -12.765 -4.161 1.00 21.28 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 1.193 -13.232 -3.377 1.00 19.58 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 1.444 -13.821 -2.192 1.00 20.18 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -0.138 -8.761 -4.818 1.00 19.50 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 0.474 -8.139 -3.702 1.00 20.57 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -0.366 -8.648 -2.545 1.00 18.87 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -1.516 -8.259 -2.369 1.00 20.06 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 0.366 -6.630 -3.900 1.00 23.52 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 0.742 -5.807 -2.692 1.00 27.09 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 0.688 -6.161 -1.501 1.00 26.19 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 0.967 -4.598 -2.978 1.00 41.28 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 0.199 -9.535 -1.730 1.00 18.63 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -0.678 -10.247 -0.822 1.00 22.06 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -1.232 -9.404 0.283 1.00 24.03 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -2.425 -9.624 0.711 1.00 20.00 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? -0.048 -11.512 -0.265 1.00 22.65 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 0.998 -11.205 0.624 1.00 23.60 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -0.441 -8.449 0.805 1.00 21.72 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -1.002 -7.515 1.802 1.00 21.40 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -2.127 -6.644 1.226 1.00 17.89 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -3.158 -6.535 1.894 1.00 21.71 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? 0.048 -6.604 2.438 1.00 23.21 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 1.061 -7.466 2.968 1.00 22.38 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -0.547 -5.668 3.512 1.00 25.55 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -1.941 -6.079 0.069 1.00 20.07 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -2.959 -5.220 -0.577 1.00 19.64 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -4.211 -6.095 -0.911 1.00 21.24 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -5.354 -5.669 -0.767 1.00 19.54 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.438 -4.582 -1.815 1.00 18.59 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -3.962 -7.342 -1.310 1.00 18.91 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -5.042 -8.241 -1.715 1.00 18.28 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -5.939 -8.570 -0.528 1.00 17.79 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -7.154 -8.720 -0.732 1.00 18.28 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -4.531 -9.483 -2.370 1.00 17.28 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.409 -8.694 0.676 1.00 21.60 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -6.239 -9.027 1.809 1.00 19.04 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -7.342 -7.970 1.967 1.00 20.29 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -8.553 -8.292 2.179 1.00 18.87 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.429 -9.170 3.063 1.00 21.78 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -6.960 -6.706 1.939 1.00 18.87 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -7.920 -5.624 2.022 1.00 19.59 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -8.915 -5.615 0.866 1.00 17.92 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -10.116 -5.482 1.102 1.00 20.28 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -8.429 -5.803 -0.334 1.00 17.78 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -9.248 -5.915 -1.494 1.00 17.48 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -10.301 -7.046 -1.349 1.00 16.11 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -11.479 -6.852 -1.608 1.00 16.59 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -8.466 -6.088 -2.746 1.00 16.43 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -9.887 -8.209 -0.867 1.00 17.64 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -10.769 -9.298 -0.745 1.00 18.19 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -11.839 -9.071 0.343 1.00 18.62 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -12.985 -9.511 0.188 1.00 17.91 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -9.915 -10.583 -0.491 1.00 19.07 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -9.155 -11.024 -1.740 1.00 18.20 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -8.021 -11.995 -1.289 1.00 19.77 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -10.063 -11.747 -2.623 1.00 19.79 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -11.505 -8.360 1.425 1.00 19.21 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -12.480 -7.983 2.450 1.00 19.90 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? -13.532 -7.083 1.844 1.00 21.82 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? -14.735 -7.259 2.078 1.00 18.05 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -11.820 -7.248 3.599 1.00 19.39 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -11.016 -8.096 4.565 1.00 19.77 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -10.133 -7.317 5.452 1.00 21.59 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -11.920 -8.982 5.381 1.00 20.66 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? -13.100 -6.191 0.961 1.00 17.62 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? -14.095 -5.384 0.187 1.00 18.59 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? -14.941 -6.229 -0.768 1.00 20.33 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? -16.172 -6.107 -0.796 1.00 19.72 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? -13.411 -4.247 -0.593 1.00 19.26 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? -14.344 -3.557 -1.580 1.00 19.41 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? -12.716 -3.251 0.359 1.00 19.21 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? -14.281 -7.086 -1.543 1.00 18.14 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? -14.943 -7.888 -2.539 1.00 21.15 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? -16.009 -8.823 -1.884 1.00 20.29 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? -17.130 -8.921 -2.416 1.00 20.05 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -13.928 -8.729 -3.239 1.00 22.49 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -14.436 -9.768 -4.197 1.00 22.27 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -14.899 -9.064 -5.453 1.00 26.45 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -13.292 -10.784 -4.439 1.00 26.15 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -15.651 -9.435 -0.742 1.00 18.77 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -16.551 -10.403 -0.035 1.00 19.15 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? -17.850 -9.687 0.407 1.00 21.52 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? -18.940 -10.166 0.143 1.00 19.28 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -15.863 -11.093 1.125 1.00 21.21 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -14.855 -12.099 0.530 1.00 20.44 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -16.862 -11.742 2.095 1.00 21.98 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -13.836 -12.506 1.572 1.00 21.26 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? -17.660 -8.492 0.988 1.00 19.48 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? -18.751 -7.714 1.509 1.00 20.18 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? -19.633 -7.176 0.444 1.00 19.48 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? -20.860 -7.083 0.668 1.00 19.72 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? -18.250 -6.643 2.437 1.00 20.96 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? -17.570 -7.212 3.674 1.00 17.91 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? -17.122 -6.113 4.521 1.00 20.99 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? -15.989 -5.547 4.326 1.00 21.23 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? -17.914 -5.750 5.434 1.00 17.57 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? -19.079 -6.778 -0.689 1.00 17.79 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? -19.868 -6.136 -1.716 1.00 18.68 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? -20.501 -7.112 -2.689 1.00 19.14 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? -21.240 -6.674 -3.584 1.00 20.47 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? -19.045 -5.080 -2.553 1.00 18.97 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? -17.915 -5.681 -3.216 1.00 20.16 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? -18.588 -3.943 -1.688 1.00 18.45 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? -20.192 -8.418 -2.580 1.00 19.23 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? -20.743 -9.425 -3.490 1.00 22.01 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? -21.574 -10.394 -2.579 1.00 23.17 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? -22.818 -10.219 -2.370 1.00 20.99 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? -19.682 -10.069 -4.356 1.00 22.35 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? -18.726 -10.812 -3.544 1.00 20.95 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? -18.986 -8.965 -5.166 1.00 20.72 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? -20.871 -11.308 -1.936 1.00 20.89 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -21.513 -12.339 -1.116 1.00 22.16 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? -22.390 -11.802 -0.042 1.00 19.85 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? -23.584 -12.236 0.101 1.00 19.43 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -20.468 -13.309 -0.505 1.00 22.09 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? -21.934 -10.824 0.727 1.00 19.86 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? -22.669 -10.417 1.935 1.00 19.85 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? -23.917 -9.610 1.494 1.00 21.22 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? -24.983 -9.747 2.086 1.00 20.79 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? -21.819 -9.565 2.906 1.00 20.40 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? -20.640 -10.317 3.537 1.00 19.74 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? -20.968 -11.430 4.521 1.00 23.02 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? -22.169 -11.830 4.569 1.00 22.89 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -20.051 -11.846 5.288 1.00 21.12 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? -23.772 -8.847 0.399 1.00 18.76 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? -24.931 -8.184 -0.204 1.00 21.06 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? -25.959 -9.173 -0.784 1.00 21.11 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? -27.183 -8.906 -0.700 1.00 21.67 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? -24.525 -7.204 -1.289 1.00 20.01 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? -25.489 -10.261 -1.385 1.00 20.91 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? -26.408 -11.350 -1.839 1.00 22.06 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? -27.149 -11.937 -0.635 1.00 21.97 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? -28.378 -12.189 -0.733 1.00 22.53 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? -25.719 -12.428 -2.639 1.00 21.88 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? -26.497 -12.093 0.498 1.00 19.24 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? -27.155 -12.700 1.652 1.00 20.51 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? -28.206 -11.824 2.335 1.00 21.57 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? -29.142 -12.376 3.025 1.00 20.96 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? -26.124 -13.130 2.692 1.00 21.30 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? -25.162 -14.185 2.162 1.00 20.28 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -24.000 -14.321 3.124 1.00 23.52 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -23.110 -15.425 2.779 1.00 24.80 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -21.821 -15.481 3.157 1.00 31.08 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -21.309 -14.495 3.880 1.00 29.46 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -21.033 -16.493 2.813 1.00 26.08 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? -27.956 -10.485 2.361 1.00 19.50 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? -28.746 -9.560 3.135 1.00 21.96 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? -29.127 -8.343 2.328 1.00 24.38 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? -28.282 -7.596 1.837 1.00 20.79 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? -28.007 -9.105 4.369 1.00 22.65 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? -27.692 -10.150 5.333 1.00 23.13 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? -28.655 -10.575 6.254 1.00 22.36 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? -26.415 -10.699 5.386 1.00 22.45 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? -28.313 -11.521 7.199 1.00 24.28 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? -26.065 -11.619 6.340 1.00 24.58 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? -27.030 -12.047 7.237 1.00 25.11 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? -30.424 -8.099 2.174 1.00 21.25 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? -30.885 -6.952 1.430 1.00 22.83 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? -30.385 -5.669 2.095 1.00 20.94 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? -30.099 -4.690 1.404 1.00 19.92 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? -32.435 -7.000 1.386 1.00 28.68 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? -33.049 -6.056 0.374 1.00 38.26 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? -34.454 -6.531 -0.020 1.00 51.91 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? -34.416 -7.485 -1.227 1.00 57.20 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? -35.762 -7.956 -1.721 1.00 59.87 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? -30.291 -5.657 3.409 1.00 20.45 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? -29.833 -4.487 4.101 1.00 21.23 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? -28.380 -4.102 3.599 1.00 21.07 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? -28.049 -2.917 3.391 1.00 20.46 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? -29.835 -4.691 5.606 1.00 24.97 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? -29.137 -3.615 6.406 1.00 28.80 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? -29.812 -2.422 6.800 1.00 28.65 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? -27.789 -3.734 6.747 1.00 27.05 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? -29.178 -1.408 7.483 1.00 28.52 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? -27.145 -2.719 7.441 1.00 26.44 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? -27.831 -1.520 7.794 1.00 29.12 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? -27.194 -0.540 8.581 1.00 27.28 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? -27.513 -5.117 3.521 1.00 19.29 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? -26.151 -4.900 3.030 1.00 18.33 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? -26.100 -4.434 1.571 1.00 20.30 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? -25.404 -3.448 1.257 1.00 22.29 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? -25.226 -6.098 3.339 1.00 18.02 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? -25.153 -6.304 4.831 1.00 19.06 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? -23.825 -5.841 2.738 1.00 17.64 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? -24.306 -7.491 5.237 1.00 19.24 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? -26.888 -5.043 0.712 1.00 19.58 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? -27.071 -4.604 -0.650 1.00 18.65 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? -27.448 -3.091 -0.686 1.00 21.22 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? -26.857 -2.325 -1.477 1.00 21.43 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? -28.144 -5.404 -1.376 1.00 19.46 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? -28.557 -4.868 -2.739 1.00 19.89 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? -29.679 -5.611 -3.442 1.00 24.62 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? -30.406 -6.371 -2.761 1.00 22.02 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? -29.832 -5.405 -4.701 1.00 27.34 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? -28.433 -2.689 0.125 1.00 21.87 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? -28.821 -1.270 0.267 1.00 22.73 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? -27.693 -0.345 0.767 1.00 20.83 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? -27.531 0.757 0.258 1.00 24.05 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? -30.016 -1.190 1.215 1.00 27.62 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? -31.225 -1.861 0.547 1.00 29.52 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? -32.442 -1.959 1.490 1.00 36.69 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? -32.323 -2.074 2.727 1.00 44.86 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? -33.597 -1.916 0.905 1.00 44.62 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? -26.918 -0.818 1.726 1.00 22.75 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? -25.800 -0.075 2.221 1.00 24.61 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? -24.795 0.199 1.061 1.00 22.72 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? -24.279 1.303 0.950 1.00 22.95 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? -25.195 -0.808 3.418 1.00 23.75 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? -26.075 -0.778 4.659 1.00 27.82 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? -26.239 0.615 5.280 1.00 33.81 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? -27.377 1.283 5.269 1.00 35.48 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? -25.134 1.058 5.907 1.00 27.56 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? -24.480 -0.788 0.257 1.00 20.26 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? -23.559 -0.584 -0.902 1.00 21.59 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? -24.200 0.373 -1.903 1.00 22.95 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? -23.542 1.245 -2.491 1.00 23.44 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? -23.128 -1.899 -1.548 1.00 19.75 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? -22.561 -2.855 -0.463 1.00 20.81 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? -22.171 -1.710 -2.715 1.00 22.30 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? -21.550 -2.239 0.440 1.00 23.91 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? -25.499 0.227 -2.120 1.00 21.93 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? -26.167 1.145 -3.053 1.00 21.38 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? -26.048 2.577 -2.580 1.00 21.43 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? -25.941 3.507 -3.404 1.00 24.75 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? -27.677 0.718 -3.237 1.00 21.69 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? -27.803 -0.459 -4.161 1.00 21.71 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? -29.225 -1.006 -4.136 1.00 24.75 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? -29.848 -1.156 -3.057 1.00 25.10 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? -29.720 -1.303 -5.294 1.00 28.10 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? -26.111 2.806 -1.297 1.00 20.75 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? -26.012 4.122 -0.743 1.00 21.29 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? -24.543 4.626 -0.875 1.00 24.36 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? -24.271 5.822 -0.699 1.00 22.41 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? -26.353 4.068 0.744 1.00 27.26 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? -27.843 3.751 0.953 1.00 31.62 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? -28.276 3.715 2.431 1.00 40.43 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? -29.505 3.534 2.683 1.00 43.07 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? -27.416 3.865 3.338 1.00 46.13 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? -23.605 3.701 -1.088 1.00 21.37 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? -22.178 4.034 -1.323 1.00 19.14 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? -21.809 3.830 -2.756 1.00 20.35 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? -20.652 3.480 -3.094 1.00 22.42 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? -21.387 3.096 -0.401 1.00 18.35 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? -21.581 3.264 1.099 1.00 20.97 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? -21.174 1.984 1.849 1.00 21.06 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? -21.056 2.110 3.269 1.00 20.83 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? -22.067 2.387 4.097 1.00 24.26 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? -23.302 2.477 3.629 1.00 23.06 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? -21.851 2.575 5.360 1.00 27.14 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? -22.694 4.155 -3.678 1.00 20.93 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? -22.402 3.978 -5.081 1.00 19.01 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? -21.303 4.907 -5.558 1.00 18.75 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? -20.688 4.593 -6.516 1.00 21.46 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? -23.595 4.217 -5.994 1.00 22.82 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? -21.202 6.089 -4.961 1.00 19.16 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? -20.278 7.109 -5.461 1.00 21.51 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? -19.401 7.695 -4.387 1.00 21.02 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? -18.617 8.619 -4.691 1.00 20.69 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? -21.086 8.276 -6.169 1.00 24.00 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? -22.144 7.802 -7.159 1.00 23.33 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? -21.811 7.098 -8.309 1.00 25.82 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? -23.516 8.099 -6.954 1.00 27.87 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? -22.807 6.670 -9.194 1.00 25.99 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? -24.485 7.672 -7.833 1.00 27.17 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? -24.152 6.974 -8.931 1.00 28.15 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? -25.114 6.540 -9.804 1.00 26.46 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? -19.534 7.237 -3.150 1.00 20.30 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? -18.739 7.600 -2.004 1.00 22.41 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? -18.631 6.395 -1.078 1.00 21.62 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? -19.683 5.870 -0.619 1.00 21.93 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? -19.386 8.750 -1.227 1.00 22.61 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? -18.625 9.148 0.013 1.00 25.14 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? -19.271 10.297 0.719 1.00 31.04 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? -20.557 9.850 1.256 1.00 36.66 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? -21.443 10.634 1.860 1.00 44.63 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? -21.209 11.924 1.987 1.00 42.37 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? -22.583 10.124 2.309 1.00 46.90 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? -17.394 5.898 -0.811 1.00 19.20 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? -17.196 4.818 0.116 1.00 21.42 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? -17.450 5.243 1.519 1.00 20.15 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? -17.236 6.441 1.873 1.00 20.14 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? -15.744 4.208 0.027 1.00 20.88 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? -15.426 3.579 -1.289 1.00 22.53 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? -16.327 3.017 -1.935 1.00 19.66 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? -14.202 3.635 -1.709 1.00 21.43 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? -17.882 4.308 2.372 1.00 19.61 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? -17.920 4.550 3.772 1.00 19.67 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? -17.756 3.252 4.482 1.00 21.27 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? -18.140 2.183 3.968 1.00 19.76 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? -19.252 5.231 4.138 1.00 24.59 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? -19.437 5.564 5.619 1.00 27.70 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? -20.832 6.153 5.926 1.00 33.60 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? -21.484 6.697 5.013 1.00 36.91 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? -21.223 6.085 7.101 1.00 39.94 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? -17.136 3.296 5.648 1.00 19.96 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? -16.979 2.046 6.393 1.00 22.84 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? -18.370 1.429 6.646 1.00 22.17 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? -19.381 2.161 6.776 1.00 21.32 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? -16.222 2.226 7.691 1.00 22.75 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? -14.753 2.676 7.419 1.00 24.59 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? -16.949 3.234 8.616 1.00 27.63 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? -18.419 0.097 6.775 1.00 23.22 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? -19.714 -0.552 6.992 1.00 23.50 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? -20.335 -0.105 8.312 1.00 24.61 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? -19.610 0.148 9.287 1.00 23.11 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? -19.349 -2.058 7.045 1.00 22.87 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? -17.888 -2.148 7.130 1.00 23.46 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? -17.324 -0.859 6.592 1.00 23.15 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? -21.669 -0.056 8.381 1.00 23.06 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? -22.313 0.149 9.661 1.00 23.54 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? -22.057 -1.053 10.595 1.00 26.11 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? -21.785 -2.185 10.173 1.00 25.09 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? -23.809 0.387 9.471 1.00 24.92 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? -24.502 -0.787 9.029 1.00 26.41 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? -22.172 -0.796 11.889 1.00 25.45 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? -22.064 -1.893 12.807 1.00 28.40 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? -23.151 -2.962 12.553 1.00 26.59 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? -22.924 -4.128 12.780 1.00 25.78 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? -22.092 -1.400 14.221 1.00 33.58 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? -20.730 -0.943 14.571 1.00 44.67 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? -24.325 -2.535 12.105 1.00 27.04 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? -25.399 -3.484 11.767 1.00 27.53 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? -24.923 -4.427 10.663 1.00 26.25 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? -25.140 -5.681 10.664 1.00 23.95 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? -26.649 -2.745 11.324 1.00 27.10 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? -24.249 -3.827 9.710 1.00 24.36 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? -23.693 -4.631 8.593 1.00 21.23 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? -22.704 -5.692 9.113 1.00 21.93 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? -22.752 -6.893 8.709 1.00 22.87 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? -22.966 -3.719 7.583 1.00 21.69 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? -23.937 -2.948 6.834 1.00 25.32 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? -22.191 -4.596 6.613 1.00 20.89 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? -21.788 -5.246 9.971 1.00 23.28 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? -20.843 -6.162 10.596 1.00 24.06 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? -21.563 -7.322 11.355 1.00 23.92 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? -21.218 -8.486 11.227 1.00 23.81 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? -19.912 -5.425 11.576 1.00 26.34 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? -19.023 -4.379 10.828 1.00 29.25 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? -19.041 -6.427 12.334 1.00 29.33 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? -18.133 -4.895 9.771 1.00 29.43 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? -22.579 -6.935 12.100 1.00 24.85 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? -23.342 -7.855 12.932 1.00 26.47 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? -23.991 -8.922 12.050 1.00 21.53 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? -23.947 -10.134 12.340 1.00 24.70 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? -24.387 -7.046 13.713 1.00 29.24 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? -25.145 -7.886 14.580 1.00 35.51 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? -24.616 -8.504 10.991 1.00 22.09 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? -25.292 -9.425 10.069 1.00 21.77 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? -24.333 -10.370 9.408 1.00 25.02 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? -24.592 -11.558 9.316 1.00 22.11 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? -26.056 -8.691 8.963 1.00 23.09 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? -27.205 -7.845 9.453 1.00 24.01 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? -27.618 -6.884 8.377 1.00 25.94 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? -28.337 -8.787 9.929 1.00 25.50 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? -23.184 -9.840 8.947 1.00 22.78 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? -22.128 -10.715 8.432 1.00 21.31 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? -21.746 -11.795 9.414 1.00 19.98 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -21.611 -12.991 9.024 1.00 22.58 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? -20.855 -9.884 8.031 1.00 21.06 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? -21.122 -8.906 6.891 1.00 22.86 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? -19.988 -7.902 6.694 1.00 22.70 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? -19.063 -7.962 7.531 1.00 22.86 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? -20.036 -7.160 5.681 1.00 21.08 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? -21.514 -11.420 10.635 1.00 21.05 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -21.039 -12.304 11.640 1.00 21.74 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -22.117 -13.332 12.091 1.00 24.21 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -21.776 -14.375 12.653 1.00 27.49 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? -20.621 -11.509 12.855 1.00 22.91 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -19.275 -10.797 12.651 1.00 25.02 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -18.559 -11.085 11.713 1.00 23.97 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? -18.979 -9.865 13.509 1.00 25.07 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? -23.357 -13.009 11.798 1.00 23.45 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? -24.535 -13.796 12.293 1.00 25.01 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -25.207 -14.680 11.252 1.00 25.52 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -26.249 -15.347 11.561 1.00 24.95 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? -25.556 -12.796 12.867 1.00 26.65 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? -25.022 -12.130 14.026 1.00 29.12 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -24.675 -14.693 10.038 1.00 21.43 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -25.328 -15.326 8.923 1.00 21.26 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -25.541 -16.839 9.154 1.00 24.26 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -26.675 -17.365 8.951 1.00 22.38 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -24.622 -15.111 7.635 1.00 20.41 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -25.292 -15.759 6.444 1.00 19.37 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -26.530 -15.457 6.001 1.00 20.80 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -24.807 -16.782 5.529 1.00 22.54 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -26.844 -16.180 4.886 1.00 20.42 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -25.813 -17.003 4.576 1.00 19.83 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -23.606 -17.509 5.407 1.00 24.00 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -25.675 -17.926 3.497 1.00 21.32 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -23.464 -18.377 4.385 1.00 22.18 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -24.479 -18.594 3.430 1.00 21.38 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -24.461 -17.489 9.585 1.00 22.65 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -24.546 -18.894 9.981 1.00 26.88 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -25.570 -19.196 11.093 1.00 26.00 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -26.451 -20.077 10.939 1.00 25.06 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -23.138 -19.389 10.376 1.00 29.39 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -23.246 -20.768 10.597 1.00 34.83 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -25.449 -18.463 12.172 1.00 23.06 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -26.351 -18.557 13.308 1.00 27.18 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -27.793 -18.298 12.921 1.00 27.75 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -28.694 -19.006 13.381 1.00 24.90 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -28.010 -17.300 12.065 1.00 26.97 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -29.387 -16.968 11.645 1.00 25.72 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -29.939 -18.027 10.792 1.00 25.54 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -31.148 -18.418 10.951 1.00 23.16 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? -29.461 -15.633 10.935 1.00 25.67 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? -29.395 -14.362 11.746 1.00 28.35 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? -29.228 -13.175 10.754 1.00 33.64 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? -30.663 -14.194 12.586 1.00 31.58 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -29.132 -18.482 9.859 1.00 21.66 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -29.486 -19.524 8.934 1.00 24.26 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -29.914 -20.784 9.746 1.00 27.03 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -30.990 -21.358 9.496 1.00 25.99 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -28.280 -19.805 8.053 1.00 25.31 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -28.098 -18.772 7.085 1.00 21.76 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -29.133 -21.117 10.764 1.00 25.71 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -29.411 -22.294 11.619 1.00 27.31 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -30.734 -22.152 12.391 1.00 24.85 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -31.564 -23.085 12.420 1.00 23.69 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -28.293 -22.461 12.623 1.00 30.94 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -28.355 -23.803 13.320 1.00 33.50 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -27.487 -23.800 14.555 1.00 41.82 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -27.199 -25.206 15.028 1.00 49.53 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -26.321 -25.134 16.233 1.00 56.88 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -30.930 -20.998 13.007 1.00 25.91 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -32.091 -20.746 13.848 1.00 26.70 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -33.393 -20.669 13.036 1.00 26.86 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -34.452 -21.146 13.535 1.00 24.59 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -31.931 -19.517 14.795 1.00 27.07 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -30.871 -19.623 15.876 1.00 26.64 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -31.092 -20.882 16.692 1.00 30.59 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -32.242 -21.193 17.049 1.00 31.66 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -30.012 -21.653 16.939 1.00 30.19 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -33.345 -20.123 11.822 1.00 25.56 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -34.473 -20.085 10.937 1.00 24.61 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -34.853 -21.535 10.551 1.00 27.72 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -36.005 -21.893 10.576 1.00 22.89 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? -34.205 -19.173 9.721 1.00 25.68 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? -34.023 -17.702 10.175 1.00 23.94 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? -35.257 -19.340 8.624 1.00 27.77 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? -33.487 -16.858 9.009 1.00 21.93 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -33.884 -22.367 10.206 1.00 24.88 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -34.167 -23.755 10.007 1.00 24.37 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -34.678 -24.491 11.284 1.00 25.05 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -35.612 -25.297 11.193 1.00 26.87 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -32.947 -24.443 9.413 1.00 24.55 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -32.773 -24.085 7.974 1.00 23.54 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -31.382 -24.426 7.489 1.00 26.78 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -31.118 -25.534 7.063 1.00 26.82 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -30.495 -23.451 7.565 1.00 24.05 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -34.138 -24.229 12.443 1.00 24.80 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -34.623 -24.943 13.641 1.00 26.89 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -36.032 -24.477 14.027 1.00 29.61 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -36.802 -25.188 14.661 1.00 29.75 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -33.730 -24.681 14.806 1.00 27.59 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -32.278 -25.135 14.696 1.00 33.24 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -31.566 -24.812 15.993 1.00 34.49 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -32.253 -26.610 14.392 1.00 37.42 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -36.351 -23.258 13.663 1.00 25.74 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -37.705 -22.744 13.871 1.00 28.26 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -38.817 -23.598 13.180 1.00 30.03 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -39.960 -23.634 13.705 1.00 30.56 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? -37.769 -21.260 13.478 1.00 27.94 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -38.508 -24.305 12.079 1.00 30.80 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -39.545 -24.989 11.279 1.00 34.65 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -40.352 -26.020 12.084 1.00 39.87 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -41.553 -26.160 11.885 1.00 53.39 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -39.027 -25.724 10.055 1.00 39.92 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -38.237 -24.989 9.003 1.00 50.05 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -37.700 -25.990 7.958 1.00 53.99 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -38.469 -26.441 7.089 1.00 55.40 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -36.400 -26.386 8.078 1.00 47.84 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -39.701 -26.737 12.959 1.00 36.38 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -40.424 -27.680 13.834 1.00 32.28 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -40.645 -27.142 15.233 1.00 29.88 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -40.940 -27.866 16.185 1.00 33.87 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -40.571 -25.832 15.371 1.00 24.83 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -40.620 -25.213 16.664 1.00 23.81 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -41.569 -23.978 16.609 1.00 22.23 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? -41.411 -23.034 17.410 1.00 25.47 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -39.219 -24.811 17.143 1.00 30.90 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -39.130 -24.491 18.625 1.00 29.67 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -38.435 -23.519 19.053 1.00 36.46 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -39.790 -25.277 19.455 1.00 30.35 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? -42.554 -24.020 15.719 1.00 25.52 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? -43.625 -23.002 15.680 1.00 26.35 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? -43.035 -21.618 15.396 1.00 26.50 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? -43.534 -20.593 15.863 1.00 27.54 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? -44.386 -22.962 16.992 1.00 25.81 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? -45.243 -24.245 17.208 1.00 21.66 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? -45.881 -24.698 16.287 1.00 25.42 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? -45.151 -24.810 18.345 1.00 22.57 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? -42.002 -21.611 14.583 1.00 26.40 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? -41.410 -20.316 14.173 1.00 26.63 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? -40.511 -19.651 15.214 1.00 29.20 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? -39.956 -18.587 14.930 1.00 27.65 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? -40.263 -20.291 16.352 1.00 27.08 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? -39.449 -19.779 17.444 1.00 29.64 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? -38.010 -20.318 17.363 1.00 29.93 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? -37.781 -21.523 17.162 1.00 27.41 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? -40.067 -20.229 18.768 1.00 28.16 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? -39.250 -19.849 19.980 1.00 32.70 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? -41.480 -19.665 18.872 1.00 32.39 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? -37.032 -19.421 17.482 1.00 30.36 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? -35.642 -19.881 17.524 1.00 29.85 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -35.378 -20.715 18.783 1.00 31.11 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? -35.795 -20.322 19.864 1.00 31.73 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? -34.704 -18.660 17.577 1.00 31.01 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? -34.636 -17.838 16.299 1.00 28.43 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? -35.422 -18.081 15.181 1.00 27.18 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? -33.716 -16.803 16.221 1.00 31.39 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? -35.298 -17.343 14.013 1.00 29.87 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? -33.620 -16.031 15.071 1.00 29.18 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? -34.362 -16.299 13.966 1.00 30.73 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -34.641 -21.813 18.644 1.00 31.45 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -34.109 -22.544 19.809 1.00 33.56 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -33.136 -21.698 20.600 1.00 35.88 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -33.119 -21.785 21.818 1.00 32.61 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -33.408 -23.845 19.379 1.00 39.52 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -34.322 -24.842 18.630 1.00 42.40 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -35.171 -25.680 19.580 1.00 40.83 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -36.125 -26.507 18.851 1.00 38.57 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -37.038 -27.288 19.429 1.00 32.82 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -37.084 -27.379 20.735 1.00 32.77 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -37.840 -28.009 18.655 1.00 35.70 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -32.372 -20.824 19.914 1.00 31.47 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -31.407 -19.939 20.595 1.00 34.19 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -31.471 -18.539 19.966 1.00 31.82 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -31.400 -18.446 18.767 1.00 29.93 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -29.973 -20.464 20.504 1.00 37.34 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -29.912 -21.823 20.999 1.00 36.54 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -29.059 -19.616 21.339 1.00 38.59 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? -31.725 -17.499 20.775 1.00 33.21 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? -31.880 -16.135 20.253 1.00 32.92 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? -30.576 -15.684 19.624 1.00 32.62 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? -29.490 -16.155 20.039 1.00 34.84 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? -32.155 -15.333 21.511 1.00 37.15 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? -32.909 -16.305 22.393 1.00 40.75 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? -32.048 -17.529 22.221 1.00 38.10 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? -30.682 -14.880 18.572 1.00 30.52 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? -29.532 -14.317 17.886 1.00 29.62 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? -29.482 -12.826 18.246 1.00 31.51 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? -30.477 -12.131 18.114 1.00 31.83 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? -29.682 -14.442 16.361 1.00 31.45 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? -29.605 -15.822 15.929 1.00 38.03 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? -28.571 -13.573 15.628 1.00 30.06 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? -28.317 -12.339 18.707 1.00 34.54 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? -28.095 -10.943 19.075 1.00 33.91 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? -27.513 -10.187 17.857 1.00 30.40 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? -26.491 -10.582 17.348 1.00 30.42 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? -27.106 -10.829 20.268 1.00 39.75 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? -26.757 -9.370 20.577 1.00 43.99 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? -27.740 -11.457 21.490 1.00 40.06 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? -28.241 -9.169 17.393 1.00 32.32 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? -27.781 -8.268 16.354 1.00 30.38 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? -27.618 -6.840 16.844 1.00 34.57 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? -28.229 -6.417 17.842 1.00 37.39 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? -28.731 -8.275 15.175 1.00 29.02 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? -29.062 -9.603 14.550 1.00 26.80 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? -29.980 -9.300 13.367 1.00 28.67 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? -27.816 -10.254 14.052 1.00 29.87 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? -26.865 -6.059 16.065 1.00 30.24 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? -26.862 -4.619 16.257 1.00 31.70 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? -27.821 -4.047 15.233 1.00 33.41 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? -27.729 -4.379 14.075 1.00 30.21 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? -25.434 -4.046 16.083 1.00 34.85 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? -25.434 -2.549 16.370 1.00 37.77 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? -24.432 -4.770 16.976 1.00 36.18 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? -28.731 -3.164 15.629 1.00 37.38 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? -29.620 -2.558 14.631 1.00 41.31 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? -29.055 -1.286 13.940 1.00 40.20 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? -27.949 -0.814 14.283 1.00 36.96 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? -31.037 -2.296 15.216 1.00 46.80 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? -31.046 -1.242 16.332 1.00 50.96 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? -30.108 -0.406 16.450 1.00 51.72 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? -32.017 -1.274 17.122 1.00 53.83 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? -29.827 -0.762 12.978 1.00 45.53 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? -29.582 0.549 12.291 1.00 54.31 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? -29.140 1.726 13.166 1.00 59.22 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? -28.477 2.653 12.692 1.00 61.01 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? -30.869 1.001 11.609 1.00 64.07 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? -31.118 0.196 10.480 1.00 62.45 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? -29.541 1.705 14.431 1.00 58.87 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? -29.284 2.805 15.366 1.00 60.36 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? -28.110 2.467 16.277 1.00 52.34 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? -27.818 3.228 17.193 1.00 53.83 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? -30.534 3.096 16.265 1.00 69.17 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? -31.916 2.842 15.651 1.00 74.91 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? -32.453 4.021 14.851 1.00 80.55 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? -33.311 3.543 13.686 1.00 88.27 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? -34.224 4.615 13.192 1.00 91.55 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? -27.461 1.312 16.086 1.00 42.18 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? -26.369 0.904 16.972 1.00 40.22 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? -26.749 0.271 18.292 1.00 41.94 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? -25.869 0.018 19.153 1.00 45.86 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? -28.047 0.002 18.438 1.00 46.59 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? -28.588 -0.722 19.592 1.00 50.39 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? -28.593 -2.237 19.352 1.00 44.00 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? -28.989 -2.704 18.263 1.00 43.25 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? -30.020 -0.276 19.862 1.00 54.19 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? -30.133 1.214 20.124 1.00 50.54 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? -29.385 1.759 20.924 1.00 55.64 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? -31.080 1.868 19.458 1.00 49.99 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? -28.165 -2.974 20.375 1.00 50.84 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? -28.042 -4.419 20.295 1.00 54.78 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? -29.396 -5.034 20.644 1.00 51.96 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? -30.013 -4.656 21.621 1.00 47.63 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? -26.891 -4.922 21.175 1.00 62.73 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? -27.062 -6.306 21.772 1.00 70.22 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? -27.493 -6.195 23.227 1.00 71.52 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? -27.687 -7.477 23.900 1.00 72.36 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? -28.868 -8.041 24.152 1.00 67.38 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? -28.892 -9.199 24.779 1.00 56.07 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? -30.017 -7.464 23.788 1.00 69.58 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? -29.856 -5.962 19.806 1.00 46.08 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? -31.234 -6.491 19.884 1.00 44.42 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? -31.259 -8.007 19.745 1.00 42.70 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? -30.412 -8.560 19.063 1.00 39.75 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? -32.138 -5.839 18.837 1.00 40.09 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? -32.200 -4.341 19.119 1.00 49.48 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? -31.685 -6.139 17.404 1.00 39.77 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? -32.196 -8.678 20.415 1.00 36.93 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? -32.300 -10.139 20.306 1.00 38.13 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? -33.339 -10.544 19.280 1.00 33.81 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? -34.450 -10.038 19.295 1.00 36.22 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? -32.753 -10.774 21.613 1.00 44.19 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? -31.817 -10.599 22.770 1.00 48.75 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? -31.824 -11.830 23.660 1.00 57.47 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? -32.870 -12.486 23.813 1.00 55.21 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? -30.644 -12.180 24.224 1.00 62.65 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? -33.004 -11.466 18.404 1.00 30.22 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? -33.982 -11.981 17.389 1.00 27.53 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? -34.406 -13.358 17.932 1.00 29.15 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? -33.556 -14.169 18.318 1.00 30.19 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? -33.324 -12.089 16.036 1.00 28.34 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? -32.658 -10.721 15.716 1.00 30.89 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? -34.305 -12.539 14.990 1.00 26.56 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? -33.621 -9.558 15.559 1.00 32.41 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? -35.712 -13.540 18.140 1.00 31.65 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? -36.175 -14.749 18.798 1.00 29.99 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? -37.113 -15.592 17.936 1.00 28.94 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? -37.389 -16.743 18.284 1.00 31.40 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? -36.910 -14.454 20.113 1.00 33.00 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? -38.034 -13.632 19.813 1.00 32.72 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? -35.952 -13.789 21.168 1.00 34.96 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? -37.566 -15.075 16.813 1.00 28.23 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? -38.517 -15.792 16.009 1.00 28.22 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? -38.618 -15.211 14.653 1.00 23.81 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? -38.054 -14.109 14.378 1.00 26.97 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? -39.927 -15.845 16.749 1.00 29.65 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? -40.648 -14.493 16.817 1.00 27.82 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? -41.200 -14.024 15.813 1.00 31.72 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? -40.666 -13.921 17.975 1.00 35.13 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? -39.283 -15.960 13.781 1.00 22.85 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? -39.319 -15.733 12.335 1.00 24.61 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? -40.166 -14.489 11.946 1.00 23.18 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? -40.215 -14.124 10.758 1.00 25.33 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? -39.780 -16.936 11.532 1.00 29.03 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? -38.772 -18.096 11.649 1.00 30.44 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? -41.269 -17.321 11.942 1.00 27.28 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? -40.857 -13.896 12.911 1.00 24.30 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? -41.629 -12.644 12.643 1.00 29.06 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? -40.723 -11.430 12.604 1.00 31.09 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? -41.183 -10.410 12.227 1.00 30.16 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? -42.832 -12.342 13.616 1.00 29.33 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? -42.383 -11.931 14.957 1.00 32.77 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? -43.693 -13.569 13.633 1.00 35.02 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? -39.439 -11.567 12.942 1.00 27.94 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? -38.558 -10.385 12.991 1.00 29.67 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? -38.258 -9.944 11.544 1.00 26.51 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? -38.256 -10.737 10.601 1.00 24.74 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? -37.285 -10.661 13.755 1.00 34.83 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? -36.210 -10.073 13.030 1.00 42.15 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? -38.128 -8.618 11.344 1.00 26.89 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? -37.869 -8.118 10.009 1.00 32.77 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? -36.552 -8.662 9.432 1.00 23.78 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? -36.390 -8.735 8.229 1.00 24.26 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? -37.784 -6.580 10.045 1.00 41.47 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? -39.161 -5.920 9.990 1.00 51.19 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? -40.073 -6.383 9.292 1.00 68.46 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? -39.306 -4.810 10.702 1.00 64.41 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? -35.621 -9.019 10.281 1.00 25.42 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? -34.380 -9.678 9.725 1.00 25.84 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? -34.701 -10.925 8.919 1.00 25.97 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? -34.173 -11.186 7.818 1.00 21.89 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? -33.384 -10.074 10.797 1.00 34.11 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? -32.059 -10.419 10.104 1.00 33.10 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? -33.168 -8.941 11.762 1.00 40.48 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? -35.719 -11.682 9.404 1.00 24.82 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? -36.223 -12.871 8.698 1.00 22.71 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? -37.202 -12.628 7.563 1.00 21.56 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? -37.102 -13.243 6.475 1.00 23.05 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? -36.838 -13.861 9.710 1.00 24.09 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? -37.141 -15.153 9.013 1.00 25.41 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? -35.888 -14.091 10.872 1.00 24.83 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? -38.151 -11.692 7.776 1.00 23.36 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? -39.205 -11.431 6.731 1.00 25.17 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? -38.746 -10.575 5.600 1.00 24.14 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? -39.253 -10.761 4.493 1.00 27.88 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? -40.464 -10.789 7.354 1.00 26.85 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? -40.108 -9.557 7.964 1.00 25.63 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? -40.988 -11.644 8.451 1.00 28.25 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? -37.728 -9.729 5.829 0.50 20.32 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? -37.406 -8.675 4.900 0.50 20.61 ? 235 SER A CA 1 ATOM 1818 C C A SER A 1 235 ? -35.921 -8.732 4.391 0.50 22.27 ? 235 SER A C 1 ATOM 1819 C C B SER A 1 235 ? -35.946 -8.213 4.935 0.50 23.14 ? 235 SER A C 1 ATOM 1820 O O A SER A 1 235 ? -35.655 -8.602 3.220 0.50 21.86 ? 235 SER A O 1 ATOM 1821 O O B SER A 1 235 ? -35.713 -6.969 4.845 0.50 20.16 ? 235 SER A O 1 ATOM 1822 C CB . SER A 1 235 ? -37.971 -7.351 5.429 0.50 22.11 ? 235 SER A CB 1 ATOM 1823 O OG . SER A 1 235 ? -39.236 -7.528 6.047 0.50 27.82 ? 235 SER A OG 1 ATOM 1824 N N . ASN A 1 236 ? -35.020 -9.109 5.242 1.00 22.41 ? 236 ASN A N 1 ATOM 1825 C CA . ASN A 1 236 ? -33.578 -8.813 5.105 1.00 21.17 ? 236 ASN A CA 1 ATOM 1826 C C . ASN A 1 236 ? -32.815 -10.029 4.474 1.00 20.87 ? 236 ASN A C 1 ATOM 1827 O O . ASN A 1 236 ? -32.410 -10.024 3.284 1.00 22.46 ? 236 ASN A O 1 ATOM 1828 C CB . ASN A 1 236 ? -33.079 -8.407 6.455 1.00 22.03 ? 236 ASN A CB 1 ATOM 1829 C CG . ASN A 1 236 ? -31.682 -7.807 6.405 1.00 23.58 ? 236 ASN A CG 1 ATOM 1830 O OD1 . ASN A 1 236 ? -30.991 -7.935 5.410 1.00 23.93 ? 236 ASN A OD1 1 ATOM 1831 N ND2 . ASN A 1 236 ? -31.268 -7.239 7.491 1.00 24.77 ? 236 ASN A ND2 1 ATOM 1832 N N . ILE A 1 237 ? -32.706 -11.110 5.228 1.00 24.24 ? 237 ILE A N 1 ATOM 1833 C CA . ILE A 1 237 ? -31.957 -12.306 4.804 1.00 23.09 ? 237 ILE A CA 1 ATOM 1834 C C . ILE A 1 237 ? -32.517 -12.876 3.550 1.00 23.98 ? 237 ILE A C 1 ATOM 1835 O O . ILE A 1 237 ? -33.746 -13.008 3.438 1.00 23.78 ? 237 ILE A O 1 ATOM 1836 C CB . ILE A 1 237 ? -31.869 -13.345 5.915 1.00 21.43 ? 237 ILE A CB 1 ATOM 1837 C CG1 . ILE A 1 237 ? -30.691 -14.361 5.640 1.00 20.35 ? 237 ILE A CG1 1 ATOM 1838 C CG2 . ILE A 1 237 ? -33.208 -14.093 6.182 1.00 20.73 ? 237 ILE A CG2 1 ATOM 1839 C CD1 . ILE A 1 237 ? -30.263 -15.166 6.869 1.00 22.82 ? 237 ILE A CD1 1 ATOM 1840 N N . GLN A 1 238 ? -31.662 -13.177 2.569 1.00 21.30 ? 238 GLN A N 1 ATOM 1841 C CA . GLN A 1 238 ? -32.080 -13.693 1.277 1.00 21.37 ? 238 GLN A CA 1 ATOM 1842 C C . GLN A 1 238 ? -31.679 -15.093 0.935 1.00 20.28 ? 238 GLN A C 1 ATOM 1843 O O . GLN A 1 238 ? -32.085 -15.661 -0.099 1.00 22.70 ? 238 GLN A O 1 ATOM 1844 C CB . GLN A 1 238 ? -31.587 -12.762 0.184 1.00 25.36 ? 238 GLN A CB 1 ATOM 1845 C CG . GLN A 1 238 ? -32.050 -11.324 0.389 1.00 26.72 ? 238 GLN A CG 1 ATOM 1846 C CD . GLN A 1 238 ? -33.580 -11.191 0.205 1.00 27.94 ? 238 GLN A CD 1 ATOM 1847 O OE1 . GLN A 1 238 ? -34.120 -11.652 -0.780 1.00 31.05 ? 238 GLN A OE1 1 ATOM 1848 N NE2 . GLN A 1 238 ? -34.260 -10.592 1.178 1.00 25.79 ? 238 GLN A NE2 1 ATOM 1849 N N . LEU A 1 239 ? -30.769 -15.645 1.735 1.00 18.97 ? 239 LEU A N 1 ATOM 1850 C CA . LEU A 1 239 ? -30.142 -16.973 1.503 1.00 21.18 ? 239 LEU A CA 1 ATOM 1851 C C . LEU A 1 239 ? -29.839 -17.595 2.835 1.00 21.12 ? 239 LEU A C 1 ATOM 1852 O O . LEU A 1 239 ? -29.365 -16.908 3.819 1.00 21.70 ? 239 LEU A O 1 ATOM 1853 C CB . LEU A 1 239 ? -28.824 -16.856 0.703 1.00 22.03 ? 239 LEU A CB 1 ATOM 1854 C CG . LEU A 1 239 ? -28.891 -16.124 -0.657 1.00 20.95 ? 239 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 239 ? -27.462 -15.831 -1.099 1.00 23.29 ? 239 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 239 ? -29.526 -16.971 -1.748 1.00 22.18 ? 239 LEU A CD2 1 ATOM 1857 N N . LEU A 1 240 ? -30.154 -18.905 2.951 1.00 21.82 ? 240 LEU A N 1 ATOM 1858 C CA . LEU A 1 240 ? -29.831 -19.673 4.147 1.00 22.63 ? 240 LEU A CA 1 ATOM 1859 C C . LEU A 1 240 ? -28.747 -20.741 3.900 1.00 21.24 ? 240 LEU A C 1 ATOM 1860 O O . LEU A 1 240 ? -28.834 -21.526 2.935 1.00 23.97 ? 240 LEU A O 1 ATOM 1861 C CB . LEU A 1 240 ? -31.080 -20.376 4.785 1.00 23.16 ? 240 LEU A CB 1 ATOM 1862 C CG . LEU A 1 240 ? -32.304 -19.498 5.046 1.00 24.56 ? 240 LEU A CG 1 ATOM 1863 C CD1 . LEU A 1 240 ? -33.506 -20.405 5.519 1.00 26.14 ? 240 LEU A CD1 1 ATOM 1864 C CD2 . LEU A 1 240 ? -32.023 -18.430 6.083 1.00 24.31 ? 240 LEU A CD2 1 ATOM 1865 N N . LEU A 1 241 ? -27.722 -20.670 4.723 1.00 23.90 ? 241 LEU A N 1 ATOM 1866 C CA . LEU A 1 241 ? -26.705 -21.680 4.797 1.00 24.16 ? 241 LEU A CA 1 ATOM 1867 C C . LEU A 1 241 ? -27.418 -22.916 5.368 1.00 22.80 ? 241 LEU A C 1 ATOM 1868 O O . LEU A 1 241 ? -27.970 -22.865 6.490 1.00 24.95 ? 241 LEU A O 1 ATOM 1869 C CB . LEU A 1 241 ? -25.603 -21.251 5.762 1.00 23.72 ? 241 LEU A CB 1 ATOM 1870 C CG . LEU A 1 241 ? -24.371 -22.166 5.901 1.00 23.76 ? 241 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 241 ? -23.751 -22.383 4.536 1.00 25.35 ? 241 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 241 ? -23.372 -21.650 6.936 1.00 26.57 ? 241 LEU A CD2 1 ATOM 1873 N N . ASN A 1 242 ? -27.299 -24.015 4.649 1.00 26.98 ? 242 ASN A N 1 ATOM 1874 C CA . ASN A 1 242 ? -27.899 -25.302 5.112 1.00 26.74 ? 242 ASN A CA 1 ATOM 1875 C C . ASN A 1 242 ? -27.321 -25.766 6.418 1.00 29.98 ? 242 ASN A C 1 ATOM 1876 O O . ASN A 1 242 ? -26.068 -25.766 6.576 1.00 27.35 ? 242 ASN A O 1 ATOM 1877 C CB . ASN A 1 242 ? -27.682 -26.330 4.026 1.00 31.74 ? 242 ASN A CB 1 ATOM 1878 C CG . ASN A 1 242 ? -28.677 -27.477 4.111 1.00 29.55 ? 242 ASN A CG 1 ATOM 1879 O OD1 . ASN A 1 242 ? -28.651 -28.208 5.073 1.00 29.20 ? 242 ASN A OD1 1 ATOM 1880 N ND2 . ASN A 1 242 ? -29.501 -27.629 3.107 1.00 27.94 ? 242 ASN A ND2 1 ATOM 1881 N N . THR A 1 243 ? -28.186 -26.170 7.388 1.00 27.54 ? 243 THR A N 1 ATOM 1882 C CA . THR A 1 243 ? -27.661 -26.708 8.649 1.00 28.45 ? 243 THR A CA 1 ATOM 1883 C C . THR A 1 243 ? -26.677 -27.883 8.506 1.00 31.20 ? 243 THR A C 1 ATOM 1884 O O . THR A 1 243 ? -25.864 -28.130 9.382 1.00 31.89 ? 243 THR A O 1 ATOM 1885 C CB . THR A 1 243 ? -28.747 -27.275 9.598 1.00 35.53 ? 243 THR A CB 1 ATOM 1886 O OG1 . THR A 1 243 ? -29.711 -28.012 8.817 1.00 36.92 ? 243 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 243 ? -29.353 -26.144 10.329 1.00 39.87 ? 243 THR A CG2 1 ATOM 1888 N N . LYS A 1 244 ? -26.783 -28.628 7.439 1.00 31.60 ? 244 LYS A N 1 ATOM 1889 C CA . LYS A 1 244 ? -25.817 -29.706 7.217 1.00 36.15 ? 244 LYS A CA 1 ATOM 1890 C C . LYS A 1 244 ? -24.356 -29.178 7.101 1.00 41.59 ? 244 LYS A C 1 ATOM 1891 O O . LYS A 1 244 ? -23.404 -29.911 7.336 1.00 39.19 ? 244 LYS A O 1 ATOM 1892 C CB . LYS A 1 244 ? -26.242 -30.524 5.993 1.00 38.96 ? 244 LYS A CB 1 ATOM 1893 C CG . LYS A 1 244 ? -27.378 -31.481 6.341 1.00 48.58 ? 244 LYS A CG 1 ATOM 1894 C CD . LYS A 1 244 ? -28.195 -31.946 5.138 1.00 59.42 ? 244 LYS A CD 1 ATOM 1895 C CE . LYS A 1 244 ? -28.657 -33.402 5.256 1.00 66.27 ? 244 LYS A CE 1 ATOM 1896 N NZ . LYS A 1 244 ? -28.818 -34.031 3.909 1.00 69.55 ? 244 LYS A NZ 1 ATOM 1897 N N . ASN A 1 245 ? -24.210 -27.894 6.761 1.00 34.27 ? 245 ASN A N 1 ATOM 1898 C CA . ASN A 1 245 ? -22.911 -27.195 6.661 1.00 36.98 ? 245 ASN A CA 1 ATOM 1899 C C . ASN A 1 245 ? -22.567 -26.306 7.880 1.00 40.84 ? 245 ASN A C 1 ATOM 1900 O O . ASN A 1 245 ? -21.647 -25.484 7.840 1.00 43.85 ? 245 ASN A O 1 ATOM 1901 C CB . ASN A 1 245 ? -22.942 -26.387 5.374 1.00 38.40 ? 245 ASN A CB 1 ATOM 1902 C CG . ASN A 1 245 ? -22.964 -27.268 4.150 1.00 38.49 ? 245 ASN A CG 1 ATOM 1903 O OD1 . ASN A 1 245 ? -22.271 -28.280 4.106 1.00 45.02 ? 245 ASN A OD1 1 ATOM 1904 N ND2 . ASN A 1 245 ? -23.721 -26.901 3.163 1.00 38.42 ? 245 ASN A ND2 1 ATOM 1905 N N . ILE A 1 246 ? -23.290 -26.485 8.971 1.00 39.90 ? 246 ILE A N 1 ATOM 1906 C CA . ILE A 1 246 ? -23.087 -25.684 10.160 1.00 39.35 ? 246 ILE A CA 1 ATOM 1907 C C . ILE A 1 246 ? -22.705 -26.582 11.359 1.00 45.09 ? 246 ILE A C 1 ATOM 1908 O O . ILE A 1 246 ? -21.700 -26.401 12.085 1.00 49.63 ? 246 ILE A O 1 ATOM 1909 C CB . ILE A 1 246 ? -24.358 -24.859 10.463 1.00 36.09 ? 246 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 246 ? -24.754 -23.982 9.253 1.00 33.25 ? 246 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 246 ? -24.133 -23.951 11.641 1.00 34.72 ? 246 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 246 ? -26.076 -23.253 9.396 1.00 31.07 ? 246 ILE A CD1 1 ATOM 1913 O OXT . ILE A 1 246 ? -23.427 -27.540 11.626 1.00 47.63 ? 246 ILE A OXT 1 HETATM 1914 C C1 . NAG B 2 . ? -41.284 -12.671 18.306 1.00 48.57 ? 301 NAG A C1 1 HETATM 1915 C C2 . NAG B 2 . ? -41.434 -12.344 19.789 1.00 56.49 ? 301 NAG A C2 1 HETATM 1916 C C3 . NAG B 2 . ? -42.131 -10.972 19.905 1.00 58.58 ? 301 NAG A C3 1 HETATM 1917 C C4 . NAG B 2 . ? -41.469 -9.916 19.039 1.00 59.34 ? 301 NAG A C4 1 HETATM 1918 C C5 . NAG B 2 . ? -41.443 -10.437 17.596 1.00 58.59 ? 301 NAG A C5 1 HETATM 1919 C C6 . NAG B 2 . ? -40.796 -9.513 16.555 1.00 57.77 ? 301 NAG A C6 1 HETATM 1920 C C7 . NAG B 2 . ? -41.812 -14.625 20.773 1.00 65.06 ? 301 NAG A C7 1 HETATM 1921 C C8 . NAG B 2 . ? -42.880 -15.569 21.279 1.00 63.23 ? 301 NAG A C8 1 HETATM 1922 N N2 . NAG B 2 . ? -42.256 -13.419 20.339 1.00 56.92 ? 301 NAG A N2 1 HETATM 1923 O O3 . NAG B 2 . ? -42.171 -10.430 21.204 1.00 55.41 ? 301 NAG A O3 1 HETATM 1924 O O4 . NAG B 2 . ? -42.211 -8.720 19.211 1.00 66.54 ? 301 NAG A O4 1 HETATM 1925 O O5 . NAG B 2 . ? -40.673 -11.616 17.644 1.00 55.71 ? 301 NAG A O5 1 HETATM 1926 O O6 . NAG B 2 . ? -39.503 -9.108 16.976 1.00 55.30 ? 301 NAG A O6 1 HETATM 1927 O O7 . NAG B 2 . ? -40.619 -15.007 20.767 1.00 63.17 ? 301 NAG A O7 1 HETATM 1928 C C1 . GOL C 3 . ? -18.051 3.997 -8.704 1.00 39.61 ? 302 GOL A C1 1 HETATM 1929 O O1 . GOL C 3 . ? -17.273 5.164 -9.032 1.00 38.85 ? 302 GOL A O1 1 HETATM 1930 C C2 . GOL C 3 . ? -18.631 3.383 -9.985 1.00 35.19 ? 302 GOL A C2 1 HETATM 1931 O O2 . GOL C 3 . ? -17.669 3.156 -11.078 1.00 30.91 ? 302 GOL A O2 1 HETATM 1932 C C3 . GOL C 3 . ? -19.791 4.294 -10.411 1.00 35.99 ? 302 GOL A C3 1 HETATM 1933 O O3 . GOL C 3 . ? -20.170 4.220 -11.799 1.00 29.66 ? 302 GOL A O3 1 HETATM 1934 C C1 . GOL D 3 . ? -36.691 -11.553 2.969 1.00 42.45 ? 303 GOL A C1 1 HETATM 1935 O O1 . GOL D 3 . ? -36.130 -12.000 4.287 1.00 27.06 ? 303 GOL A O1 1 HETATM 1936 C C2 . GOL D 3 . ? -37.153 -12.566 1.904 1.00 45.49 ? 303 GOL A C2 1 HETATM 1937 O O2 . GOL D 3 . ? -38.463 -13.136 2.138 1.00 56.37 ? 303 GOL A O2 1 HETATM 1938 C C3 . GOL D 3 . ? -37.222 -11.853 0.571 1.00 51.20 ? 303 GOL A C3 1 HETATM 1939 O O3 . GOL D 3 . ? -38.109 -12.529 -0.333 1.00 57.85 ? 303 GOL A O3 1 HETATM 1940 O O3B A CDP E 4 . ? -14.474 -16.575 11.830 0.40 48.19 ? 304 CDP A O3B 1 HETATM 1941 O O3B B CDP E 4 . ? -13.734 -20.171 7.363 0.40 46.24 ? 304 CDP A O3B 1 HETATM 1942 P PB A CDP E 4 . ? -14.212 -15.361 10.947 0.40 45.06 ? 304 CDP A PB 1 HETATM 1943 P PB B CDP E 4 . ? -14.947 -19.896 8.221 0.40 48.85 ? 304 CDP A PB 1 HETATM 1944 O O1B A CDP E 4 . ? -12.764 -15.162 10.705 0.40 40.77 ? 304 CDP A O1B 1 HETATM 1945 O O1B B CDP E 4 . ? -16.143 -20.784 7.928 0.40 41.66 ? 304 CDP A O1B 1 HETATM 1946 O O2B A CDP E 4 . ? -14.871 -14.096 11.461 0.40 45.20 ? 304 CDP A O2B 1 HETATM 1947 O O2B B CDP E 4 . ? -14.553 -19.743 9.675 0.40 47.02 ? 304 CDP A O2B 1 HETATM 1948 O O3A A CDP E 4 . ? -14.915 -15.773 9.528 0.40 44.15 ? 304 CDP A O3A 1 HETATM 1949 O O3A B CDP E 4 . ? -15.430 -18.451 7.681 0.40 46.12 ? 304 CDP A O3A 1 HETATM 1950 P PA A CDP E 4 . ? -15.852 -17.103 9.220 0.40 46.82 ? 304 CDP A PA 1 HETATM 1951 P PA B CDP E 4 . ? -15.915 -17.293 8.689 0.40 51.84 ? 304 CDP A PA 1 HETATM 1952 O O1A A CDP E 4 . ? -15.128 -18.433 9.178 0.40 45.14 ? 304 CDP A O1A 1 HETATM 1953 O O1A B CDP E 4 . ? -15.180 -17.478 10.005 0.40 52.91 ? 304 CDP A O1A 1 HETATM 1954 O O2A A CDP E 4 . ? -17.109 -17.029 10.066 0.40 44.00 ? 304 CDP A O2A 1 HETATM 1955 O O2A B CDP E 4 . ? -17.434 -17.308 8.684 0.40 54.45 ? 304 CDP A O2A 1 HETATM 1956 O "O5'" A CDP E 4 . ? -16.247 -16.811 7.676 0.40 39.21 ? 304 CDP A "O5'" 1 HETATM 1957 O "O5'" B CDP E 4 . ? -15.362 -15.911 8.010 0.40 39.98 ? 304 CDP A "O5'" 1 HETATM 1958 C "C5'" . CDP E 4 . ? -16.796 -15.528 7.497 0.40 40.04 ? 304 CDP A "C5'" 1 HETATM 1959 C "C4'" . CDP E 4 . ? -17.118 -15.166 6.065 0.80 38.09 ? 304 CDP A "C4'" 1 HETATM 1960 O "O4'" . CDP E 4 . ? -15.920 -15.006 5.303 0.80 36.75 ? 304 CDP A "O4'" 1 HETATM 1961 C "C3'" . CDP E 4 . ? -17.927 -16.236 5.351 0.80 36.66 ? 304 CDP A "C3'" 1 HETATM 1962 O "O3'" . CDP E 4 . ? -19.289 -16.262 5.792 0.80 33.74 ? 304 CDP A "O3'" 1 HETATM 1963 C "C2'" . CDP E 4 . ? -17.706 -15.774 3.938 0.80 37.39 ? 304 CDP A "C2'" 1 HETATM 1964 O "O2'" . CDP E 4 . ? -18.547 -14.639 3.648 0.80 33.96 ? 304 CDP A "O2'" 1 HETATM 1965 C "C1'" . CDP E 4 . ? -16.229 -15.336 3.954 0.80 36.00 ? 304 CDP A "C1'" 1 HETATM 1966 N N1 . CDP E 4 . ? -15.269 -16.363 3.429 0.80 34.65 ? 304 CDP A N1 1 HETATM 1967 C C2 . CDP E 4 . ? -15.031 -16.437 2.032 0.80 32.83 ? 304 CDP A C2 1 HETATM 1968 O O2 . CDP E 4 . ? -15.622 -15.697 1.198 0.80 26.15 ? 304 CDP A O2 1 HETATM 1969 N N3 . CDP E 4 . ? -14.154 -17.369 1.572 0.80 33.90 ? 304 CDP A N3 1 HETATM 1970 C C4 . CDP E 4 . ? -13.546 -18.215 2.408 0.80 30.52 ? 304 CDP A C4 1 HETATM 1971 N N4 . CDP E 4 . ? -12.709 -19.071 1.881 0.80 25.96 ? 304 CDP A N4 1 HETATM 1972 C C5 . CDP E 4 . ? -13.766 -18.188 3.784 0.80 33.04 ? 304 CDP A C5 1 HETATM 1973 C C6 . CDP E 4 . ? -14.650 -17.233 4.261 0.80 35.91 ? 304 CDP A C6 1 HETATM 1974 O O . HOH F 5 . ? -11.539 -20.729 6.760 1.00 61.74 ? 401 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? -22.818 6.150 3.162 1.00 47.55 ? 402 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? -2.945 -15.220 10.927 1.00 40.12 ? 403 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? -36.987 -8.234 1.268 1.00 50.60 ? 404 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? -35.554 -27.525 5.570 1.00 52.95 ? 405 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? -20.627 -20.011 -13.355 1.00 27.75 ? 406 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? -31.441 -6.761 -5.990 1.00 32.26 ? 407 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? -14.665 -26.365 -2.439 1.00 32.29 ? 408 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? -20.292 -13.828 6.794 1.00 29.71 ? 409 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? 5.252 -20.703 -18.157 1.00 54.99 ? 410 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? -15.056 -3.133 5.642 1.00 22.59 ? 411 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? -26.453 2.043 11.330 1.00 45.31 ? 412 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? -22.189 -25.929 14.512 1.00 55.42 ? 413 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? 2.648 -7.675 -8.345 1.00 44.77 ? 414 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? -38.883 -16.134 -1.809 1.00 46.94 ? 415 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? -11.188 -13.125 -15.833 1.00 44.25 ? 416 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? -32.693 -26.243 -0.940 1.00 31.14 ? 417 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? -28.550 1.594 8.836 1.00 45.82 ? 418 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? -22.008 -30.772 4.578 1.00 61.63 ? 419 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? 0.081 -9.037 5.235 1.00 30.54 ? 420 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? -42.415 -27.710 10.032 1.00 39.61 ? 421 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? -15.061 -25.970 -13.854 1.00 58.77 ? 422 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? -25.590 -24.844 2.191 1.00 27.54 ? 423 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? -5.107 3.234 7.105 1.00 42.26 ? 424 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? -42.895 -6.387 18.319 1.00 53.15 ? 425 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? -18.066 -14.856 0.958 1.00 27.72 ? 426 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? -17.368 -13.450 11.167 1.00 42.31 ? 427 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? -30.409 3.297 -13.760 1.00 44.31 ? 428 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? -25.625 -5.160 -13.609 1.00 26.38 ? 429 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? -18.932 4.950 -13.970 1.00 28.17 ? 430 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? -26.878 -24.021 -3.205 1.00 24.04 ? 431 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? -19.045 -11.256 -18.697 1.00 55.44 ? 432 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? -30.001 -22.272 23.569 1.00 56.97 ? 433 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? -1.839 -4.797 -7.125 1.00 34.85 ? 434 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? -28.580 1.352 -14.360 1.00 49.56 ? 435 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? -7.864 -31.295 -2.682 1.00 57.26 ? 436 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? -9.408 5.465 -15.266 1.00 28.49 ? 437 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? -20.350 -18.126 7.298 1.00 48.43 ? 438 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? -11.618 0.577 0.806 1.00 22.86 ? 439 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? -34.371 -6.847 -13.351 1.00 61.55 ? 440 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? -5.438 -23.667 -1.710 1.00 24.57 ? 441 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? -39.269 -14.867 5.871 1.00 35.19 ? 442 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? -0.191 -22.784 -5.466 1.00 23.62 ? 443 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? -20.162 -26.680 1.846 1.00 44.78 ? 444 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? -24.543 -13.254 16.374 1.00 43.27 ? 445 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? -11.969 2.914 -0.481 1.00 21.54 ? 446 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? -14.094 -4.803 -20.500 1.00 40.04 ? 447 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? -23.791 -9.250 16.411 1.00 60.50 ? 448 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? -16.914 -18.660 -18.250 1.00 49.33 ? 449 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? -42.921 -11.267 23.612 1.00 60.18 ? 450 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? -31.564 -20.306 -8.154 1.00 40.02 ? 451 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? 1.425 -16.590 -1.935 1.00 25.04 ? 452 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? -23.294 -17.445 -17.902 1.00 49.92 ? 453 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? -2.379 -22.835 -13.400 1.00 32.12 ? 454 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? -35.500 -7.503 13.120 1.00 49.42 ? 455 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? -32.691 -27.692 7.092 1.00 33.92 ? 456 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? -25.289 -20.800 -11.481 1.00 47.98 ? 457 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? -14.073 -7.256 12.520 1.00 54.28 ? 458 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? -27.262 8.139 -9.716 1.00 48.22 ? 459 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? 2.301 -7.769 -0.087 1.00 24.41 ? 460 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? -16.953 -4.548 -20.354 1.00 47.62 ? 461 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? -22.989 -1.641 -14.227 1.00 23.43 ? 462 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? -43.440 -25.727 13.752 1.00 30.62 ? 463 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? -44.683 -9.909 22.016 1.00 55.47 ? 464 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? -41.061 -24.640 21.745 1.00 45.33 ? 465 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? -3.860 -10.948 -7.115 1.00 25.53 ? 466 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? -13.987 -11.994 -16.748 1.00 33.15 ? 467 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? -21.649 -13.620 -16.830 1.00 35.43 ? 468 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? 1.118 -4.061 0.162 1.00 39.98 ? 469 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? -33.285 -14.585 -2.284 1.00 52.80 ? 470 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? -29.804 -23.647 18.980 1.00 33.89 ? 471 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? -8.770 -11.834 -16.095 1.00 31.25 ? 472 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? -40.917 -15.296 8.400 1.00 35.34 ? 473 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? -17.489 0.160 11.001 1.00 42.63 ? 474 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? -6.022 -3.027 -0.624 1.00 35.50 ? 475 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? -1.230 -13.192 -14.951 1.00 38.31 ? 476 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? -33.196 -3.218 5.047 1.00 50.78 ? 477 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? -22.905 -0.525 5.880 1.00 30.52 ? 478 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? -17.370 8.345 3.831 1.00 35.92 ? 479 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? -5.029 -22.672 -11.965 1.00 24.28 ? 480 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? -4.528 -21.496 6.329 1.00 63.06 ? 481 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? -8.205 -31.267 -10.973 1.00 47.91 ? 482 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? -3.563 -13.972 8.281 1.00 30.97 ? 483 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? -25.471 -8.041 -13.557 1.00 29.97 ? 484 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? -37.964 -23.130 21.740 1.00 50.10 ? 485 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? -6.803 -24.347 -11.106 1.00 32.05 ? 486 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? -31.348 0.947 -2.082 1.00 53.59 ? 487 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? -26.037 -13.889 18.557 1.00 40.91 ? 488 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? -24.750 -18.665 -13.438 1.00 39.55 ? 489 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? -14.376 3.513 -18.758 1.00 55.87 ? 490 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? -36.277 -27.499 16.091 1.00 35.76 ? 491 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? -1.757 -7.801 11.564 1.00 47.57 ? 492 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? -25.845 -13.793 -15.697 1.00 46.65 ? 493 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? -21.454 7.226 1.116 1.00 29.50 ? 494 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? -10.793 -1.274 -2.086 1.00 38.86 ? 495 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? -28.361 -15.535 -12.536 1.00 29.67 ? 496 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? -31.185 -18.450 -4.704 1.00 42.00 ? 497 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? -4.759 -4.413 2.727 1.00 30.77 ? 498 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? -28.114 5.072 19.261 1.00 59.60 ? 499 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? -20.783 3.498 8.779 1.00 37.76 ? 500 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? -32.930 -10.306 -5.430 1.00 34.51 ? 501 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? -23.099 -16.808 13.019 1.00 26.05 ? 502 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? -22.291 -6.674 -16.512 1.00 39.39 ? 503 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? -14.604 2.851 11.869 1.00 45.60 ? 504 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? -26.882 -16.949 19.376 1.00 54.81 ? 505 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? -20.474 -23.994 11.311 1.00 52.26 ? 506 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? 0.016 -11.369 3.256 1.00 30.13 ? 507 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? -36.197 -17.734 20.894 1.00 41.69 ? 508 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? -31.625 -12.475 -12.298 1.00 43.61 ? 509 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? -2.462 -11.557 -12.167 1.00 29.62 ? 510 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? -17.309 -24.113 -12.167 1.00 39.26 ? 511 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? -2.727 -3.843 -9.381 1.00 44.86 ? 512 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? -24.042 3.322 7.213 1.00 33.01 ? 513 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? -16.597 -1.838 -16.173 1.00 24.55 ? 514 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? -47.736 -23.082 14.872 1.00 52.18 ? 515 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? -22.726 -0.350 -16.359 1.00 32.60 ? 516 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? 3.916 -21.256 -14.846 1.00 37.99 ? 517 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? -12.856 -22.025 -14.792 1.00 34.37 ? 518 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? -4.107 -18.627 -18.866 1.00 39.52 ? 519 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? -4.292 -23.617 -4.159 1.00 33.49 ? 520 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? -37.677 -11.810 16.984 1.00 33.78 ? 521 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? -41.216 -21.440 2.807 1.00 33.10 ? 522 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? -31.480 -29.674 2.788 1.00 33.76 ? 523 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? -2.763 -22.781 -20.295 1.00 60.80 ? 524 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? -20.822 -29.192 1.254 1.00 42.16 ? 525 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? -24.931 -11.201 -14.621 1.00 24.81 ? 526 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? -15.974 5.848 6.270 1.00 27.00 ? 527 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? -8.679 -30.241 -0.291 1.00 44.85 ? 528 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? 0.594 -24.323 -15.782 1.00 56.01 ? 529 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? 3.043 -9.751 -2.129 1.00 22.36 ? 530 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? -31.937 -3.131 -2.832 1.00 48.25 ? 531 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? -39.664 -9.188 2.096 1.00 58.90 ? 532 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? 0.189 -11.825 -12.707 1.00 42.12 ? 533 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? -10.896 -24.958 -15.179 1.00 30.70 ? 534 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? -41.156 -22.817 5.935 1.00 38.06 ? 535 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? -17.203 -31.844 -12.466 1.00 50.78 ? 536 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? -36.294 -24.664 -6.602 1.00 48.35 ? 537 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? -22.794 7.452 -2.942 1.00 27.38 ? 538 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? -34.043 -20.343 24.172 1.00 60.81 ? 539 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? -3.014 -2.201 -4.499 1.00 32.41 ? 540 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? -27.208 6.106 -3.767 1.00 61.29 ? 541 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? -7.713 -32.869 -15.602 1.00 36.49 ? 542 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? -11.562 -25.265 3.807 1.00 33.64 ? 543 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? 0.058 -23.485 5.141 1.00 43.28 ? 544 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? -22.621 2.022 12.564 1.00 33.29 ? 545 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? 1.042 -10.103 -10.596 1.00 33.72 ? 546 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? -34.070 -0.885 -12.911 1.00 57.86 ? 547 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? -33.361 -6.433 9.389 1.00 33.59 ? 548 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? -25.579 0.064 12.683 1.00 32.78 ? 549 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? -40.111 -24.828 -0.671 1.00 37.63 ? 550 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? -8.427 -7.640 -17.924 1.00 36.89 ? 551 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? -23.155 -21.029 -15.831 1.00 48.93 ? 552 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? -16.209 -23.764 1.368 1.00 40.31 ? 553 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? -33.726 -12.641 -6.773 1.00 64.70 ? 554 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? -5.184 -1.372 12.589 1.00 60.69 ? 555 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? 2.855 -2.875 -1.458 1.00 49.57 ? 556 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? 3.618 -7.607 4.482 1.00 35.30 ? 557 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? -7.192 -0.458 -14.622 1.00 34.42 ? 558 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? -30.051 0.357 4.315 1.00 44.68 ? 559 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? -23.014 -4.434 -14.894 1.00 27.07 ? 560 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? -31.919 -3.151 -9.403 1.00 39.27 ? 561 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? -24.491 7.692 1.644 1.00 60.13 ? 562 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? -27.240 -20.710 16.256 1.00 36.29 ? 563 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? -32.558 -0.329 7.888 1.00 64.60 ? 564 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? -4.037 -24.695 0.259 1.00 29.79 ? 565 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? -20.568 -21.907 9.770 1.00 43.39 ? 566 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? -2.409 -19.544 5.930 1.00 49.01 ? 567 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? -3.136 -8.731 -5.340 1.00 22.71 ? 568 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? -14.579 0.619 -19.589 1.00 58.85 ? 569 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? -43.705 -24.056 20.936 1.00 35.33 ? 570 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? -16.304 -8.440 13.949 1.00 44.73 ? 571 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? -16.489 -29.453 -5.862 1.00 38.91 ? 572 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? -29.409 -5.678 11.865 1.00 44.24 ? 573 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? -27.918 6.968 -12.479 1.00 51.52 ? 574 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? -8.925 -10.324 12.898 1.00 39.46 ? 575 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? -9.035 -2.410 -20.766 1.00 62.39 ? 576 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? -38.555 -6.811 13.810 1.00 37.00 ? 577 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? -32.316 -2.415 -6.580 1.00 46.12 ? 578 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? -32.402 -23.273 -8.071 1.00 49.45 ? 579 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? -0.122 -24.316 -1.706 1.00 42.15 ? 580 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? -27.347 4.082 6.642 1.00 60.60 ? 581 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? -29.841 4.212 -9.966 1.00 38.62 ? 582 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? -6.168 -17.563 -18.596 1.00 47.39 ? 583 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? -43.455 -17.482 15.416 1.00 45.17 ? 584 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? -4.506 -18.399 7.430 1.00 40.89 ? 585 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? -19.548 -24.278 4.768 1.00 50.65 ? 586 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? -21.649 -16.078 9.711 1.00 32.52 ? 587 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? -1.476 -3.912 -4.846 1.00 41.97 ? 588 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? -25.586 2.961 13.932 1.00 64.14 ? 589 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? -21.171 -8.994 15.616 1.00 47.98 ? 590 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? -9.666 -33.955 -3.375 1.00 56.51 ? 591 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? -18.261 -14.225 8.903 1.00 51.86 ? 592 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? -24.117 -32.718 8.696 1.00 54.97 ? 593 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? -21.564 -5.557 -21.444 1.00 55.21 ? 594 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? -11.503 4.641 8.185 1.00 56.91 ? 595 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? -12.925 -8.596 14.388 1.00 54.82 ? 596 HOH A O 1 HETATM 2170 O O . HOH F 5 . ? -0.092 -13.240 5.185 1.00 33.97 ? 597 HOH A O 1 HETATM 2171 O O . HOH F 5 . ? -5.331 -26.490 1.932 1.00 34.21 ? 598 HOH A O 1 HETATM 2172 O O . HOH F 5 . ? -6.279 0.055 -6.488 1.00 46.38 ? 599 HOH A O 1 HETATM 2173 O O . HOH F 5 . ? -10.472 1.282 -13.031 1.00 40.06 ? 600 HOH A O 1 HETATM 2174 O O . HOH F 5 . ? -26.570 -27.435 12.533 1.00 54.22 ? 601 HOH A O 1 HETATM 2175 O O . HOH F 5 . ? -40.843 -5.884 20.119 1.00 62.68 ? 602 HOH A O 1 HETATM 2176 O O . HOH F 5 . ? -3.793 -9.038 -15.052 1.00 50.82 ? 603 HOH A O 1 HETATM 2177 O O . HOH F 5 . ? -35.849 -15.501 -10.031 1.00 58.86 ? 604 HOH A O 1 HETATM 2178 O O . HOH F 5 . ? -23.871 -35.389 -6.069 1.00 56.89 ? 605 HOH A O 1 HETATM 2179 O O . HOH F 5 . ? -37.705 -29.438 8.446 1.00 51.81 ? 606 HOH A O 1 HETATM 2180 O O . HOH F 5 . ? -25.544 -31.841 -6.132 1.00 59.75 ? 607 HOH A O 1 HETATM 2181 O O . HOH F 5 . ? -23.467 -6.208 -20.011 1.00 66.65 ? 608 HOH A O 1 HETATM 2182 O O . HOH F 5 . ? -24.664 -8.912 23.458 1.00 42.19 ? 609 HOH A O 1 HETATM 2183 O O . HOH F 5 . ? -27.108 -4.275 24.901 1.00 43.91 ? 610 HOH A O 1 HETATM 2184 O O . HOH F 5 . ? -8.327 -2.431 -2.686 1.00 42.47 ? 611 HOH A O 1 HETATM 2185 O O . HOH F 5 . ? -10.420 -33.499 -10.126 1.00 54.11 ? 612 HOH A O 1 HETATM 2186 O O . HOH F 5 . ? -43.618 -8.506 23.700 1.00 60.07 ? 613 HOH A O 1 HETATM 2187 O O . HOH F 5 . ? -30.578 2.645 -0.504 1.00 56.33 ? 614 HOH A O 1 HETATM 2188 O O . HOH F 5 . ? -29.482 -21.773 -10.547 1.00 54.87 ? 615 HOH A O 1 HETATM 2189 O O . HOH F 5 . ? -6.192 -6.243 12.508 1.00 46.91 ? 616 HOH A O 1 HETATM 2190 O O . HOH F 5 . ? -30.646 -4.733 9.896 1.00 59.67 ? 617 HOH A O 1 HETATM 2191 O O . HOH F 5 . ? -8.062 -7.791 13.070 1.00 43.45 ? 618 HOH A O 1 HETATM 2192 O O . HOH F 5 . ? -36.495 -14.859 -2.610 1.00 44.01 ? 619 HOH A O 1 HETATM 2193 O O . HOH F 5 . ? -32.154 -28.878 0.644 1.00 45.49 ? 620 HOH A O 1 HETATM 2194 O O . HOH F 5 . ? -26.989 -17.113 -13.727 1.00 54.56 ? 621 HOH A O 1 HETATM 2195 O O . HOH F 5 . ? -22.786 -7.693 -21.715 1.00 68.52 ? 622 HOH A O 1 HETATM 2196 O O . HOH F 5 . ? -32.672 -3.024 9.204 1.00 59.34 ? 623 HOH A O 1 HETATM 2197 O O . HOH F 5 . ? -1.146 -2.479 1.066 1.00 38.12 ? 624 HOH A O 1 HETATM 2198 O O . HOH F 5 . ? -34.680 -17.864 -10.386 1.00 68.54 ? 625 HOH A O 1 HETATM 2199 O O . HOH F 5 . ? -11.567 -13.258 -18.197 1.00 56.44 ? 626 HOH A O 1 HETATM 2200 O O . HOH F 5 . ? -41.662 -13.796 4.690 1.00 46.18 ? 627 HOH A O 1 HETATM 2201 O O . HOH F 5 . ? -20.195 -14.722 -19.246 1.00 47.57 ? 628 HOH A O 1 HETATM 2202 O O . HOH F 5 . ? -22.694 -3.883 -19.642 1.00 53.56 ? 629 HOH A O 1 HETATM 2203 O O . HOH F 5 . ? -45.796 -11.838 20.785 1.00 54.48 ? 630 HOH A O 1 HETATM 2204 O O . HOH F 5 . ? -0.798 -12.497 7.526 1.00 44.36 ? 631 HOH A O 1 HETATM 2205 O O . HOH F 5 . ? -8.174 -2.055 1.016 1.00 38.44 ? 632 HOH A O 1 HETATM 2206 O O . HOH F 5 . ? -17.469 1.756 12.741 1.00 60.77 ? 633 HOH A O 1 HETATM 2207 O O . HOH F 5 . ? -14.167 -22.854 3.885 1.00 47.72 ? 634 HOH A O 1 HETATM 2208 O O . HOH F 5 . ? -21.654 14.777 -0.830 1.00 47.58 ? 635 HOH A O 1 HETATM 2209 O O . HOH F 5 . ? -24.686 -16.307 15.498 1.00 41.07 ? 636 HOH A O 1 HETATM 2210 O O . HOH F 5 . ? -22.920 3.884 10.101 1.00 42.73 ? 637 HOH A O 1 HETATM 2211 O O . HOH F 5 . ? -24.543 -21.320 15.512 1.00 55.86 ? 638 HOH A O 1 HETATM 2212 O O . HOH F 5 . ? -16.661 -2.109 -18.832 1.00 37.56 ? 639 HOH A O 1 HETATM 2213 O O . HOH F 5 . ? -27.175 -18.204 -16.170 1.00 58.21 ? 640 HOH A O 1 HETATM 2214 O O . HOH F 5 . ? -22.865 10.170 -2.450 1.00 47.63 ? 641 HOH A O 1 HETATM 2215 O O . HOH F 5 . ? -34.175 -7.152 -6.081 1.00 53.58 ? 642 HOH A O 1 HETATM 2216 O O . HOH F 5 . ? -8.725 -11.455 -18.764 1.00 49.50 ? 643 HOH A O 1 HETATM 2217 O O . HOH F 5 . ? -5.615 -7.389 -16.685 1.00 56.21 ? 644 HOH A O 1 HETATM 2218 O O . HOH F 5 . ? -25.978 -21.069 -16.640 1.00 56.84 ? 645 HOH A O 1 HETATM 2219 O O . HOH F 5 . ? -10.638 -9.868 16.245 1.00 64.19 ? 646 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 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE 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 1 301 301 NAG NAG A . C 3 GOL 1 302 302 GOL GOL A . D 3 GOL 1 303 303 GOL GOL A . E 4 CDP 1 304 304 CDP CDP A . F 5 HOH 1 401 401 HOH HOH A . F 5 HOH 2 402 402 HOH HOH A . F 5 HOH 3 403 403 HOH HOH A . F 5 HOH 4 404 404 HOH HOH A . F 5 HOH 5 405 405 HOH HOH A . F 5 HOH 6 406 406 HOH HOH A . F 5 HOH 7 407 407 HOH HOH A . F 5 HOH 8 408 408 HOH HOH A . F 5 HOH 9 409 409 HOH HOH A . F 5 HOH 10 410 410 HOH HOH A . F 5 HOH 11 411 411 HOH HOH A . F 5 HOH 12 412 412 HOH HOH A . F 5 HOH 13 413 413 HOH HOH A . F 5 HOH 14 414 414 HOH HOH A . F 5 HOH 15 415 415 HOH HOH A . F 5 HOH 16 416 416 HOH HOH A . F 5 HOH 17 417 417 HOH HOH A . F 5 HOH 18 418 418 HOH HOH A . F 5 HOH 19 419 419 HOH HOH A . F 5 HOH 20 420 420 HOH HOH A . F 5 HOH 21 421 421 HOH HOH A . F 5 HOH 22 422 422 HOH HOH A . F 5 HOH 23 423 423 HOH HOH A . F 5 HOH 24 424 424 HOH HOH A . F 5 HOH 25 425 425 HOH HOH A . F 5 HOH 26 426 426 HOH HOH A . F 5 HOH 27 427 427 HOH HOH A . F 5 HOH 28 428 428 HOH HOH A . F 5 HOH 29 429 429 HOH HOH A . F 5 HOH 30 430 430 HOH HOH A . F 5 HOH 31 431 431 HOH HOH A . F 5 HOH 32 432 432 HOH HOH A . F 5 HOH 33 433 433 HOH HOH A . F 5 HOH 34 434 434 HOH HOH A . F 5 HOH 35 435 435 HOH HOH A . F 5 HOH 36 436 436 HOH HOH A . F 5 HOH 37 437 437 HOH HOH A . F 5 HOH 38 438 438 HOH HOH A . F 5 HOH 39 439 439 HOH HOH A . F 5 HOH 40 440 440 HOH HOH A . F 5 HOH 41 441 441 HOH HOH A . F 5 HOH 42 442 442 HOH HOH A . F 5 HOH 43 443 443 HOH HOH A . F 5 HOH 44 444 444 HOH HOH A . F 5 HOH 45 445 445 HOH HOH A . F 5 HOH 46 446 446 HOH HOH A . F 5 HOH 47 447 447 HOH HOH A . F 5 HOH 48 448 448 HOH HOH A . F 5 HOH 49 449 449 HOH HOH A . F 5 HOH 50 450 450 HOH HOH A . F 5 HOH 51 451 451 HOH HOH A . F 5 HOH 52 452 452 HOH HOH A . F 5 HOH 53 453 453 HOH HOH A . F 5 HOH 54 454 454 HOH HOH A . F 5 HOH 55 455 455 HOH HOH A . F 5 HOH 56 456 456 HOH HOH A . F 5 HOH 57 457 457 HOH HOH A . F 5 HOH 58 458 458 HOH HOH A . F 5 HOH 59 459 459 HOH HOH A . F 5 HOH 60 460 460 HOH HOH A . F 5 HOH 61 461 461 HOH HOH A . F 5 HOH 62 462 462 HOH HOH A . F 5 HOH 63 463 463 HOH HOH A . F 5 HOH 64 464 464 HOH HOH A . F 5 HOH 65 465 465 HOH HOH A . F 5 HOH 66 466 466 HOH HOH A . F 5 HOH 67 467 467 HOH HOH A . F 5 HOH 68 468 468 HOH HOH A . F 5 HOH 69 469 469 HOH HOH A . F 5 HOH 70 470 470 HOH HOH A . F 5 HOH 71 471 471 HOH HOH A . F 5 HOH 72 472 472 HOH HOH A . F 5 HOH 73 473 473 HOH HOH A . F 5 HOH 74 474 474 HOH HOH A . F 5 HOH 75 475 475 HOH HOH A . F 5 HOH 76 476 476 HOH HOH A . F 5 HOH 77 477 477 HOH HOH A . F 5 HOH 78 478 478 HOH HOH A . F 5 HOH 79 479 479 HOH HOH A . F 5 HOH 80 480 480 HOH HOH A . F 5 HOH 81 481 481 HOH HOH A . F 5 HOH 82 482 482 HOH HOH A . F 5 HOH 83 483 483 HOH HOH A . F 5 HOH 84 484 484 HOH HOH A . F 5 HOH 85 485 485 HOH HOH A . F 5 HOH 86 486 486 HOH HOH A . F 5 HOH 87 487 487 HOH HOH A . F 5 HOH 88 488 488 HOH HOH A . F 5 HOH 89 489 489 HOH HOH A . F 5 HOH 90 490 490 HOH HOH A . F 5 HOH 91 491 491 HOH HOH A . F 5 HOH 92 492 492 HOH HOH A . F 5 HOH 93 493 493 HOH HOH A . F 5 HOH 94 494 494 HOH HOH A . F 5 HOH 95 495 495 HOH HOH A . F 5 HOH 96 496 496 HOH HOH A . F 5 HOH 97 497 497 HOH HOH A . F 5 HOH 98 498 498 HOH HOH A . F 5 HOH 99 499 499 HOH HOH A . F 5 HOH 100 500 500 HOH HOH A . F 5 HOH 101 501 501 HOH HOH A . F 5 HOH 102 502 502 HOH HOH A . F 5 HOH 103 503 503 HOH HOH A . F 5 HOH 104 504 504 HOH HOH A . F 5 HOH 105 505 505 HOH HOH A . F 5 HOH 106 506 506 HOH HOH A . F 5 HOH 107 507 507 HOH HOH A . F 5 HOH 108 508 508 HOH HOH A . F 5 HOH 109 509 509 HOH HOH A . F 5 HOH 110 510 510 HOH HOH A . F 5 HOH 111 511 511 HOH HOH A . F 5 HOH 112 512 512 HOH HOH A . F 5 HOH 113 513 513 HOH HOH A . F 5 HOH 114 514 514 HOH HOH A . F 5 HOH 115 515 515 HOH HOH A . F 5 HOH 116 516 516 HOH HOH A . F 5 HOH 117 517 517 HOH HOH A . F 5 HOH 118 518 518 HOH HOH A . F 5 HOH 119 519 519 HOH HOH A . F 5 HOH 120 520 520 HOH HOH A . F 5 HOH 121 521 521 HOH HOH A . F 5 HOH 122 522 522 HOH HOH A . F 5 HOH 123 523 523 HOH HOH A . F 5 HOH 124 524 524 HOH HOH A . F 5 HOH 125 525 525 HOH HOH A . F 5 HOH 126 526 526 HOH HOH A . F 5 HOH 127 527 527 HOH HOH A . F 5 HOH 128 528 528 HOH HOH A . F 5 HOH 129 529 529 HOH HOH A . F 5 HOH 130 530 530 HOH HOH A . F 5 HOH 131 531 531 HOH HOH A . F 5 HOH 132 532 532 HOH HOH A . F 5 HOH 133 533 533 HOH HOH A . F 5 HOH 134 534 534 HOH HOH A . F 5 HOH 135 535 535 HOH HOH A . F 5 HOH 136 536 536 HOH HOH A . F 5 HOH 137 537 537 HOH HOH A . F 5 HOH 138 538 538 HOH HOH A . F 5 HOH 139 539 539 HOH HOH A . F 5 HOH 140 540 540 HOH HOH A . F 5 HOH 141 541 541 HOH HOH A . F 5 HOH 142 542 542 HOH HOH A . F 5 HOH 143 543 543 HOH HOH A . F 5 HOH 144 544 544 HOH HOH A . F 5 HOH 145 545 545 HOH HOH A . F 5 HOH 146 546 546 HOH HOH A . F 5 HOH 147 547 547 HOH HOH A . F 5 HOH 148 548 548 HOH HOH A . F 5 HOH 149 549 549 HOH HOH A . F 5 HOH 150 550 550 HOH HOH A . F 5 HOH 151 551 551 HOH HOH A . F 5 HOH 152 552 552 HOH HOH A . F 5 HOH 153 553 553 HOH HOH A . F 5 HOH 154 554 554 HOH HOH A . F 5 HOH 155 555 555 HOH HOH A . F 5 HOH 156 556 556 HOH HOH A . F 5 HOH 157 557 557 HOH HOH A . F 5 HOH 158 558 558 HOH HOH A . F 5 HOH 159 559 559 HOH HOH A . F 5 HOH 160 560 560 HOH HOH A . F 5 HOH 161 561 561 HOH HOH A . F 5 HOH 162 562 562 HOH HOH A . F 5 HOH 163 563 563 HOH HOH A . F 5 HOH 164 564 564 HOH HOH A . F 5 HOH 165 565 565 HOH HOH A . F 5 HOH 166 566 566 HOH HOH A . F 5 HOH 167 567 567 HOH HOH A . F 5 HOH 168 568 568 HOH HOH A . F 5 HOH 169 569 569 HOH HOH A . F 5 HOH 170 570 570 HOH HOH A . F 5 HOH 171 571 571 HOH HOH A . F 5 HOH 172 572 572 HOH HOH A . F 5 HOH 173 573 573 HOH HOH A . F 5 HOH 174 574 574 HOH HOH A . F 5 HOH 175 575 575 HOH HOH A . F 5 HOH 176 576 576 HOH HOH A . F 5 HOH 177 577 577 HOH HOH A . F 5 HOH 178 578 578 HOH HOH A . F 5 HOH 179 579 579 HOH HOH A . F 5 HOH 180 580 580 HOH HOH A . F 5 HOH 181 581 581 HOH HOH A . F 5 HOH 182 582 582 HOH HOH A . F 5 HOH 183 583 583 HOH HOH A . F 5 HOH 184 584 584 HOH HOH A . F 5 HOH 185 585 585 HOH HOH A . F 5 HOH 186 586 586 HOH HOH A . F 5 HOH 187 587 587 HOH HOH A . F 5 HOH 188 588 588 HOH HOH A . F 5 HOH 189 589 589 HOH HOH A . F 5 HOH 190 590 590 HOH HOH A . F 5 HOH 191 591 591 HOH HOH A . F 5 HOH 192 592 592 HOH HOH A . F 5 HOH 193 593 593 HOH HOH A . F 5 HOH 194 594 594 HOH HOH A . F 5 HOH 195 595 595 HOH HOH A . F 5 HOH 196 596 596 HOH HOH A . F 5 HOH 197 597 597 HOH HOH A . F 5 HOH 198 598 598 HOH HOH A . F 5 HOH 199 599 599 HOH HOH A . F 5 HOH 200 600 600 HOH HOH A . F 5 HOH 201 601 601 HOH HOH A . F 5 HOH 202 602 602 HOH HOH A . F 5 HOH 203 603 603 HOH HOH A . F 5 HOH 204 604 604 HOH HOH A . F 5 HOH 205 605 605 HOH HOH A . F 5 HOH 206 606 606 HOH HOH A . F 5 HOH 207 607 607 HOH HOH A . F 5 HOH 208 608 608 HOH HOH A . F 5 HOH 209 609 609 HOH HOH A . F 5 HOH 210 610 610 HOH HOH A . F 5 HOH 211 611 611 HOH HOH A . F 5 HOH 212 612 612 HOH HOH A . F 5 HOH 213 613 613 HOH HOH A . F 5 HOH 214 614 614 HOH HOH A . F 5 HOH 215 615 615 HOH HOH A . F 5 HOH 216 616 616 HOH HOH A . F 5 HOH 217 617 617 HOH HOH A . F 5 HOH 218 618 618 HOH HOH A . F 5 HOH 219 619 619 HOH HOH A . F 5 HOH 220 620 620 HOH HOH A . F 5 HOH 221 621 621 HOH HOH A . F 5 HOH 222 622 622 HOH HOH A . F 5 HOH 223 623 623 HOH HOH A . F 5 HOH 224 624 624 HOH HOH A . F 5 HOH 225 625 625 HOH HOH A . F 5 HOH 226 626 626 HOH HOH A . F 5 HOH 227 627 627 HOH HOH A . F 5 HOH 228 628 628 HOH HOH A . F 5 HOH 229 629 629 HOH HOH A . F 5 HOH 230 630 630 HOH HOH A . F 5 HOH 231 631 631 HOH HOH A . F 5 HOH 232 632 632 HOH HOH A . F 5 HOH 233 633 633 HOH HOH A . F 5 HOH 234 634 634 HOH HOH A . F 5 HOH 235 635 635 HOH HOH A . F 5 HOH 236 636 636 HOH HOH A . F 5 HOH 237 637 637 HOH HOH A . F 5 HOH 238 638 638 HOH HOH A . F 5 HOH 239 639 639 HOH HOH A . F 5 HOH 240 640 640 HOH HOH A . F 5 HOH 241 641 641 HOH HOH A . F 5 HOH 242 642 642 HOH HOH A . F 5 HOH 243 643 643 HOH HOH A . F 5 HOH 244 644 644 HOH HOH A . F 5 HOH 245 645 645 HOH HOH A . F 5 HOH 246 646 646 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id B _pdbx_struct_mod_residue.label_comp_id NAG _pdbx_struct_mod_residue.label_seq_id ? _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id NAG _pdbx_struct_mod_residue.auth_seq_id 301 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id NAG _pdbx_struct_mod_residue.details -D # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1370 ? 1 MORE -0 ? 1 'SSA (A^2)' 11080 ? # _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_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 2015-08-12 2 'Structure model' 1 1 2016-07-27 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.7.0032 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 4 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O A HOH 574 ? ? 1_555 O A HOH 584 ? ? 5_454 1.99 2 1 O A HOH 459 ? ? 1_555 O A HOH 584 ? ? 5_454 2.16 # 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 NE A ARG 46 ? ? CZ A ARG 46 ? ? NH1 A ARG 46 ? ? 125.80 120.30 5.50 0.50 N 2 1 NE A ARG 46 ? ? CZ A ARG 46 ? ? NH2 A ARG 46 ? ? 114.84 120.30 -5.46 0.50 N 3 1 NE A ARG 101 ? ? CZ A ARG 101 ? ? NH2 A ARG 101 ? ? 117.10 120.30 -3.20 0.50 N 4 1 CB A ASP 143 ? ? CG A ASP 143 ? ? OD1 A ASP 143 ? ? 126.90 118.30 8.60 0.90 N 5 1 CB A ASP 143 ? ? CG A ASP 143 ? ? OD2 A ASP 143 ? ? 112.66 118.30 -5.64 0.90 N 6 1 CB A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? B 94.75 110.10 -15.35 1.90 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 68 ? ? -140.68 -0.91 2 1 LEU A 77 ? ? 54.09 -103.32 3 1 PRO A 106 ? ? -88.42 36.70 4 1 THR A 158 ? ? -118.09 -80.78 5 1 SER A 235 ? ? -154.21 31.60 6 1 ASN A 236 ? ? -97.44 -69.39 7 1 ASN A 236 ? ? -137.28 -69.39 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 "CYTIDINE-5'-DIPHOSPHATE" CDP 5 water HOH #