data_5CSO # _entry.id 5CSO # _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 5CSO WWPDB D_1000212123 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2015-08-12 _pdbx_database_PDB_obs_spr.pdb_id 5CSO _pdbx_database_PDB_obs_spr.replace_pdb_id 4ZTW _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 5CSO _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.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 5CSO _cell.details ? _cell.formula_units_Z ? _cell.length_a 130.231 _cell.length_a_esd ? _cell.length_b 130.231 _cell.length_b_esd ? _cell.length_c 39.926 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 9 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5CSO _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? # 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 '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE' 243.217 1 ? ? ? ? 5 water nat water 18.015 247 ? ? ? ? # _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 5CSO _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 CTN non-polymer . '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE' CYTIDINE 'C9 H13 N3 O5' 243.217 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 5CSO _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.40 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 48.86 _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 2012-05-22 # _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 5CSO _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.78 _reflns.d_resolution_low 37.62 _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 22979 _reflns.number_obs 22979 _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 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.05 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 51.2 _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 4.8 _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 99.5 _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] -1.05 _refine.aniso_B[1][2] -1.05 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -1.05 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 3.41 _refine.B_iso_max ? _refine.B_iso_mean 30.072 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.966 _refine.correlation_coeff_Fo_to_Fc_free 0.951 _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 5CSO _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 37.62 _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 22979 _refine.ls_number_reflns_R_free 1238 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.78 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.18470 _refine.ls_R_factor_R_free 0.21449 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.18465 _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 0.132 _refine.pdbx_overall_ESU_R_Free 0.121 _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 2.571 _refine.overall_SU_ML 0.083 _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 1910 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 43 _refine_hist.number_atoms_solvent 247 _refine_hist.number_atoms_total 2200 _refine_hist.d_res_high 1.78 _refine_hist.d_res_low 37.62 # 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' ? 0.005 0.019 1991 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 1915 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.097 1.987 2711 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.721 3.000 4384 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 4.815 5.000 246 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.625 23.929 84 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 12.415 15.000 322 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 15.216 15.000 13 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.056 0.200 324 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.004 0.021 2238 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 456 ? 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' ? 0.825 2.843 986 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 0.824 2.841 985 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.410 4.260 1231 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.410 4.262 1232 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 0.949 3.061 1005 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 0.948 3.061 1005 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 1.591 4.525 1480 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.945 24.185 2396 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.512 23.403 2298 ? 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 1.778 _refine_ls_shell.d_res_low 1.824 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 95 _refine_ls_shell.number_reflns_R_work 1666 _refine_ls_shell.percent_reflns_obs 97.67 _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 0.245 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.239 _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 5CSO _struct.title ;Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine 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 5CSO _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 801 _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 1.507 _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 LYS A 30 ? VAL A 31 ? LYS A 30 VAL A 31 AA2 2 ILE A 34 ? PRO A 35 ? ILE A 34 PRO A 35 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 VAL A 31 ? N VAL A 31 O ILE A 34 ? O ILE A 34 AA3 1 2 N THR A 213 ? N THR A 213 O ILE A 225 ? O ILE A 225 # 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 802 ? 8 'binding site for residue GOL A 802' AC2 Software A GOL 803 ? 5 'binding site for residue GOL A 803' AC3 Software A CTN 804 ? 13 'binding site for residue CTN A 804' AC4 Software A NAG 801 ? 9 'binding site for Mono-Saccharide NAG A 801 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 8 ASN A 33 ? ASN A 33 . ? 1_555 ? 2 AC1 8 ILE A 34 ? ILE A 34 . ? 1_555 ? 3 AC1 8 VAL A 233 ? VAL A 233 . ? 1_555 ? 4 AC1 8 THR A 234 ? THR A 234 . ? 1_555 ? 5 AC1 8 SER A 235 ? SER A 235 . ? 1_555 ? 6 AC1 8 ASN A 236 ? ASN A 236 . ? 1_555 ? 7 AC1 8 ILE A 237 ? ILE A 237 . ? 1_555 ? 8 AC1 8 GLN A 238 ? GLN A 238 . ? 1_555 ? 9 AC2 5 ASN A 84 ? ASN A 84 . ? 1_555 ? 10 AC2 5 PRO A 106 ? PRO A 106 . ? 1_555 ? 11 AC2 5 TYR A 107 ? TYR A 107 . ? 1_555 ? 12 AC2 5 SER A 108 ? SER A 108 . ? 1_555 ? 13 AC2 5 ARG A 113 ? ARG A 113 . ? 1_555 ? 14 AC3 13 TYR A 70 ? TYR A 70 . ? 1_555 ? 15 AC3 13 ILE A 71 ? ILE A 71 . ? 1_555 ? 16 AC3 13 MET A 72 ? MET A 72 . ? 1_555 ? 17 AC3 13 GLU A 85 ? GLU A 85 . ? 1_555 ? 18 AC3 13 GLY A 109 ? GLY A 109 . ? 1_555 ? 19 AC3 13 ASN A 110 ? ASN A 110 . ? 1_555 ? 20 AC3 13 TYR A 111 ? TYR A 111 . ? 1_555 ? 21 AC3 13 GLU A 112 ? GLU A 112 . ? 1_555 ? 22 AC3 13 ILE A 155 ? ILE A 155 . ? 1_555 ? 23 AC3 13 GLU A 160 ? GLU A 160 . ? 1_555 ? 24 AC3 13 ARG A 163 ? ARG A 163 . ? 1_555 ? 25 AC3 13 HOH F . ? HOH A 902 . ? 1_555 ? 26 AC3 13 HOH F . ? HOH A 953 . ? 1_555 ? 27 AC4 9 THR A 226 ? THR A 226 . ? 1_555 ? 28 AC4 9 ASN A 227 ? ASN A 227 . ? 1_555 ? 29 AC4 9 THR A 229 ? THR A 229 . ? 1_555 ? 30 AC4 9 HOH F . ? HOH A 903 . ? 1_555 ? 31 AC4 9 HOH F . ? HOH A 927 . ? 1_555 ? 32 AC4 9 HOH F . ? HOH A 964 . ? 1_555 ? 33 AC4 9 HOH F . ? HOH A 1028 . ? 1_555 ? 34 AC4 9 HOH F . ? HOH A 1063 . ? 1_555 ? 35 AC4 9 HOH F . ? HOH A 1091 . ? 1_555 ? # _atom_sites.entry_id 5CSO _atom_sites.fract_transf_matrix[1][1] 0.007679 _atom_sites.fract_transf_matrix[1][2] 0.004433 _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] 0.008867 _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] 0.025046 _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 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 ? 27.038 10.643 15.719 1.00 31.86 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? 25.642 10.444 15.212 1.00 32.04 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? 24.971 11.787 14.953 1.00 31.12 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? 25.382 12.807 15.505 1.00 31.59 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? 24.793 9.658 16.221 1.00 32.35 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? 25.368 8.285 16.546 1.00 33.03 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? 26.510 7.987 16.142 1.00 33.90 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? 24.668 7.501 17.221 1.00 33.88 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? 23.941 11.781 14.111 1.00 29.59 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? 23.077 12.950 13.930 1.00 28.41 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? 21.620 12.537 14.133 1.00 27.72 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? 21.277 11.358 13.989 1.00 27.02 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? 23.269 13.621 12.551 1.00 28.56 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 24.683 14.171 12.422 1.00 28.65 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 22.958 12.661 11.411 1.00 28.35 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? 20.776 13.503 14.485 1.00 27.10 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? 19.364 13.242 14.769 1.00 26.94 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? 18.423 14.263 14.129 1.00 26.34 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? 18.787 15.423 13.934 1.00 26.02 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? 19.133 13.220 16.283 1.00 27.24 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? 19.780 12.108 16.872 1.00 28.01 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? 17.210 13.818 13.808 1.00 25.19 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? 16.145 14.709 13.343 1.00 24.86 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? 14.794 14.223 13.857 1.00 25.59 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? 14.457 13.047 13.716 1.00 24.43 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? 16.120 14.790 11.815 1.00 24.32 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? 15.076 15.733 11.267 1.00 23.65 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? 15.024 17.057 11.685 1.00 23.33 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? 14.160 15.302 10.315 1.00 23.60 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? 14.069 17.923 11.182 1.00 23.44 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? 13.204 16.167 9.803 1.00 23.53 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? 13.159 17.480 10.238 1.00 23.37 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? 14.030 15.144 14.441 1.00 26.38 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? 12.704 14.849 14.971 1.00 27.14 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? 11.624 15.555 14.163 1.00 26.74 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? 11.654 16.773 14.004 1.00 25.52 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? 12.634 15.264 16.440 1.00 28.74 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? 13.445 14.350 17.342 1.00 30.52 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? 13.818 14.998 18.663 1.00 32.37 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? 14.405 14.019 19.582 1.00 33.93 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? 15.685 13.638 19.600 1.00 34.78 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? 16.574 14.149 18.750 1.00 35.36 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? 16.083 12.731 20.487 1.00 35.37 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? 10.672 14.785 13.644 1.00 26.14 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? 9.575 15.356 12.865 1.00 26.10 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? 8.563 16.091 13.750 1.00 26.65 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? 7.894 17.015 13.290 1.00 27.25 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? 8.878 14.282 12.019 1.00 26.07 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? 9.502 13.973 10.651 1.00 26.02 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? 9.337 15.150 9.699 1.00 25.67 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? 10.970 13.579 10.762 1.00 26.39 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? 8.457 15.686 15.012 1.00 27.31 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? 7.567 16.365 15.952 1.00 28.14 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? 8.104 17.761 16.256 1.00 27.85 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? 9.174 17.910 16.843 1.00 27.99 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? 7.417 15.569 17.247 1.00 28.83 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? 6.432 16.162 18.082 1.00 30.27 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? 7.356 18.778 15.841 1.00 27.67 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? 7.766 20.169 16.024 1.00 27.48 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? 8.711 20.663 14.943 1.00 27.25 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? 9.222 21.784 15.025 1.00 27.32 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? 8.938 19.842 13.921 1.00 26.43 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? 9.873 20.193 12.855 1.00 26.86 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? 9.386 21.393 12.051 1.00 27.00 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? 8.186 21.558 11.815 1.00 26.87 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? 10.100 19.007 11.929 1.00 26.78 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? 10.329 22.236 11.644 1.00 27.03 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? 10.039 23.344 10.737 1.00 27.23 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? 11.238 23.537 9.805 1.00 26.75 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? 12.234 22.822 9.937 1.00 26.09 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? 9.679 24.614 11.533 1.00 28.04 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? 10.828 25.149 12.381 1.00 29.08 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? 10.643 26.236 12.976 1.00 30.59 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? 11.898 24.508 12.469 1.00 28.64 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? 11.144 24.472 8.839 1.00 26.73 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? 12.291 24.657 7.943 1.00 26.77 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? 13.626 24.894 8.660 1.00 26.60 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? 14.671 24.444 8.181 1.00 26.01 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? 11.880 25.873 7.116 1.00 26.94 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? 10.396 25.752 7.023 1.00 26.92 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? 9.961 25.212 8.361 1.00 26.84 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? 13.583 25.578 9.802 1.00 27.66 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? 14.784 25.869 10.581 1.00 27.85 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? 15.418 24.608 11.183 1.00 27.31 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? 16.622 24.393 11.046 1.00 26.46 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? 14.462 26.878 11.688 1.00 28.90 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? 15.640 27.294 12.352 1.00 31.52 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? 14.613 23.776 11.842 1.00 26.36 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? 15.128 22.551 12.460 1.00 26.15 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? 15.609 21.539 11.414 1.00 24.94 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? 16.602 20.846 11.627 1.00 25.27 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? 14.083 21.911 13.378 1.00 26.60 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? 13.005 21.369 12.638 1.00 26.47 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? 14.908 21.458 10.290 1.00 24.41 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? 15.355 20.610 9.187 1.00 23.57 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? 16.700 21.100 8.652 1.00 23.57 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? 17.600 20.302 8.395 1.00 23.45 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? 14.317 20.577 8.069 1.00 23.30 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? 14.767 19.803 6.853 1.00 22.54 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? 14.858 18.416 6.881 1.00 22.18 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? 15.103 20.457 5.674 1.00 22.27 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? 15.270 17.702 5.770 1.00 21.81 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? 15.516 19.753 4.557 1.00 21.84 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? 15.598 18.376 4.611 1.00 21.28 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? 16.006 17.680 3.503 1.00 20.70 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? 16.832 22.414 8.485 1.00 23.92 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? 18.096 23.009 8.053 1.00 24.05 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? 19.250 22.678 8.984 1.00 24.64 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? 20.368 22.418 8.533 1.00 23.93 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? 18.979 22.690 10.287 1.00 25.60 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? 19.984 22.330 11.290 1.00 26.62 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? 20.413 20.868 11.155 1.00 25.35 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? 21.592 20.547 11.292 1.00 24.62 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? 19.457 22.595 12.708 1.00 29.17 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? 19.295 24.071 13.045 1.00 31.43 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? 18.977 24.375 14.797 1.00 36.52 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? 17.195 24.228 14.877 1.00 35.42 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? 19.453 19.988 10.877 1.00 23.72 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? 19.739 18.562 10.694 1.00 23.38 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? 20.632 18.320 9.474 1.00 23.04 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? 21.587 17.549 9.538 1.00 23.12 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? 18.427 17.771 10.595 1.00 23.22 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? 18.547 16.463 9.859 1.00 22.96 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? 19.359 15.449 10.345 1.00 23.18 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? 17.827 16.241 8.693 1.00 23.23 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? 19.463 14.242 9.676 1.00 23.30 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? 17.924 15.035 8.020 1.00 23.38 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? 18.745 14.034 8.512 1.00 23.50 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? 20.322 18.985 8.370 1.00 23.23 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? 21.090 18.822 7.139 1.00 23.17 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? 22.500 19.392 7.304 1.00 24.03 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? 23.462 18.836 6.773 1.00 24.21 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? 20.351 19.447 5.936 1.00 22.90 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? 19.039 18.692 5.664 1.00 22.80 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? 21.223 19.446 4.687 1.00 22.68 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? 19.191 17.216 5.340 1.00 22.55 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? 22.619 20.486 8.053 1.00 25.14 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? 23.931 21.034 8.412 1.00 26.62 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? 24.732 20.020 9.235 1.00 26.30 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? 25.907 19.781 8.952 1.00 26.48 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? 23.770 22.341 9.199 1.00 28.17 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? 25.081 22.969 9.663 1.00 30.08 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? 24.859 24.038 10.725 1.00 31.89 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? 24.172 25.271 10.166 1.00 33.74 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? 23.931 26.294 11.224 1.00 35.31 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? 24.086 19.431 10.244 1.00 26.06 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? 24.702 18.390 11.077 1.00 26.71 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? 25.153 17.200 10.231 1.00 25.58 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? 26.250 16.677 10.415 1.00 25.02 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? 23.721 17.882 12.143 1.00 27.67 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? 23.374 18.927 13.189 1.00 28.86 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? 22.402 18.696 13.939 1.00 29.87 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? 24.052 19.973 13.272 1.00 29.74 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? 24.292 16.772 9.309 1.00 25.33 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? 24.598 15.647 8.429 1.00 24.97 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? 25.858 15.926 7.603 1.00 24.92 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? 26.798 15.128 7.604 1.00 24.83 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? 23.397 15.346 7.526 1.00 25.06 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? 23.537 14.271 6.445 1.00 25.41 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? 24.153 12.987 6.975 1.00 25.78 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? 22.174 13.995 5.830 1.00 25.18 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? 25.878 17.067 6.921 1.00 25.11 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? 27.053 17.498 6.160 1.00 25.26 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? 28.311 17.535 7.027 1.00 26.31 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? 29.360 17.024 6.635 1.00 27.02 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? 26.830 18.892 5.575 1.00 24.82 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? 25.875 18.947 4.399 1.00 24.18 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? 25.493 20.382 4.087 1.00 23.82 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? 24.465 20.453 3.051 1.00 23.45 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? 23.555 21.420 2.937 1.00 23.63 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? 23.516 22.434 3.799 1.00 24.66 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? 22.662 21.368 1.957 1.00 23.44 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? 28.194 18.149 8.201 1.00 27.81 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? 29.337 18.313 9.109 1.00 29.36 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? 29.831 17.004 9.725 1.00 29.09 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? 30.965 16.933 10.205 1.00 29.69 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? 29.009 19.318 10.227 1.00 30.51 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? 28.957 20.768 9.746 1.00 31.97 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? 28.282 21.591 10.359 1.00 34.18 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? 29.671 21.093 8.671 1.00 33.01 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? 28.993 15.969 9.706 1.00 28.37 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? 29.385 14.651 10.199 1.00 28.36 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? 30.212 13.855 9.182 1.00 28.53 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? 30.793 12.826 9.525 1.00 29.25 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? 28.152 13.857 10.612 1.00 28.26 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? 30.261 14.319 7.935 1.00 28.38 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? 31.026 13.638 6.896 1.00 28.00 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? 32.451 14.179 6.907 1.00 29.08 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? 32.647 15.390 6.790 1.00 28.40 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? 30.384 13.850 5.526 1.00 27.91 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? 28.897 13.482 5.459 1.00 27.91 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? 28.286 13.922 4.139 1.00 27.96 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? 28.687 11.988 5.678 1.00 28.01 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? 33.447 13.288 7.062 1.00 29.77 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? 34.830 13.735 7.175 1.00 30.61 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? 35.443 14.115 5.835 1.00 31.82 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? 35.089 13.548 4.800 1.00 31.28 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? 35.541 12.509 7.751 1.00 30.50 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? 34.776 11.359 7.203 1.00 30.39 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? 33.345 11.817 7.117 1.00 30.04 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? 36.357 15.079 5.867 1.00 32.99 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? 37.142 15.446 4.694 1.00 34.44 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? 38.471 16.033 5.149 1.00 35.10 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? 38.560 16.596 6.238 1.00 34.08 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? 36.392 16.456 3.820 1.00 34.63 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? 36.056 17.738 4.517 1.00 36.10 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? 36.805 18.887 4.368 1.00 36.77 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? 35.046 18.054 5.362 1.00 36.41 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? 36.271 19.855 5.091 1.00 37.31 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? 35.202 19.375 5.704 1.00 37.74 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? 39.495 15.879 4.314 1.00 37.54 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? 40.815 16.443 4.589 1.00 38.73 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? 41.093 17.690 3.747 1.00 39.51 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? 41.957 18.491 4.101 1.00 40.30 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? 41.933 15.410 4.343 1.00 39.61 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? 41.806 14.865 3.026 1.00 41.26 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? 41.863 14.285 5.368 1.00 40.26 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? 40.370 17.853 2.639 1.00 38.53 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? 40.541 19.019 1.777 1.00 38.96 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? 39.234 19.463 1.131 1.00 38.06 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? 38.244 18.721 1.107 1.00 37.19 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? 41.574 18.726 0.685 1.00 40.02 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? 41.137 17.673 -0.323 1.00 41.27 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? 42.265 17.223 -1.233 1.00 42.78 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? 42.819 18.070 -1.966 1.00 43.92 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? 42.589 16.015 -1.225 1.00 43.53 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? 39.252 20.686 0.607 1.00 36.35 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? 38.161 21.214 -0.195 1.00 35.92 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? 38.662 21.473 -1.609 1.00 35.61 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? 39.830 21.822 -1.813 1.00 35.92 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? 37.626 22.515 0.400 1.00 35.94 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? 37.120 22.401 1.828 1.00 36.17 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? 36.497 23.712 2.279 1.00 36.84 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? 36.045 23.656 3.728 1.00 37.28 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? 35.388 24.925 4.149 1.00 37.83 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? 37.775 21.291 -2.581 1.00 34.52 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? 38.072 21.566 -3.978 1.00 33.79 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? 37.099 22.644 -4.433 1.00 34.00 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? 35.883 22.434 -4.424 1.00 33.18 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? 37.927 20.297 -4.840 1.00 33.40 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? 38.183 20.599 -6.308 1.00 33.50 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? 38.876 19.213 -4.346 1.00 33.34 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? 37.642 23.802 -4.806 1.00 33.19 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? 36.843 24.992 -5.093 1.00 33.47 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? 35.883 25.297 -3.938 1.00 32.72 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? 34.706 25.589 -4.141 1.00 33.47 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? 36.124 24.852 -6.442 1.00 33.77 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? 37.090 24.862 -7.608 1.00 34.07 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? 37.679 26.051 -8.032 1.00 34.75 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? 37.434 23.688 -8.271 1.00 34.26 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? 38.574 26.073 -9.089 1.00 34.89 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? 38.330 23.700 -9.331 1.00 35.31 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? 38.896 24.897 -9.734 1.00 35.03 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? 39.785 24.923 -10.784 1.00 36.59 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? 36.428 25.214 -2.725 1.00 31.86 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? 35.726 25.514 -1.476 1.00 32.24 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? 34.589 24.546 -1.117 1.00 31.17 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? 33.763 24.847 -0.254 1.00 30.50 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? 35.216 26.960 -1.482 1.00 33.48 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? 35.117 27.550 -0.088 1.00 35.16 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? 36.036 27.413 0.723 1.00 35.79 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? 34.003 28.215 0.200 1.00 36.27 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? 34.576 23.378 -1.757 1.00 30.05 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? 33.572 22.344 -1.498 1.00 28.95 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? 34.266 21.136 -0.874 1.00 28.46 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? 35.226 20.619 -1.447 1.00 28.57 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? 32.878 21.885 -2.796 1.00 28.75 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? 32.310 23.079 -3.564 1.00 28.31 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? 31.762 20.894 -2.482 1.00 28.78 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? 32.245 22.867 -5.058 1.00 28.18 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? 33.780 20.671 0.295 1.00 27.33 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? 34.366 19.491 0.923 1.00 27.27 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? 34.471 18.298 -0.025 1.00 27.31 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? 33.506 17.969 -0.727 1.00 26.68 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? 33.404 19.194 2.072 1.00 27.47 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? 32.844 20.521 2.435 1.00 27.07 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? 32.760 21.299 1.154 1.00 27.12 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? 35.653 17.688 -0.055 1.00 27.20 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? 35.922 16.510 -0.864 1.00 28.21 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? 35.810 15.285 0.026 1.00 28.16 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? 36.601 15.119 0.956 1.00 28.23 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? 37.333 16.585 -1.470 1.00 28.48 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? 37.822 15.348 -2.233 1.00 28.48 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? 36.970 15.089 -3.465 1.00 28.42 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? 39.289 15.493 -2.617 1.00 28.86 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? 34.833 14.425 -0.250 1.00 28.21 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? 34.664 13.206 0.537 1.00 28.46 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? 35.876 12.301 0.354 1.00 29.68 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? 36.529 12.333 -0.690 1.00 30.00 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? 33.376 12.472 0.147 1.00 28.18 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? 32.090 13.259 0.431 1.00 27.83 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? 30.880 12.578 -0.195 1.00 27.68 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? 31.881 13.448 1.926 1.00 28.13 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? 36.176 11.508 1.380 1.00 31.53 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? 37.392 10.695 1.397 1.00 33.08 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? 37.308 9.518 0.424 1.00 34.06 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? 36.219 8.986 0.183 1.00 32.66 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? 37.670 10.171 2.810 1.00 33.54 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? 37.897 11.207 3.913 1.00 34.51 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? 37.949 10.527 5.273 1.00 34.53 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? 39.166 12.012 3.673 1.00 35.01 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? 38.458 9.106 -0.145 1.00 35.29 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? 38.481 7.923 -1.005 1.00 35.97 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? 38.022 6.666 -0.273 1.00 36.09 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? 37.302 5.853 -0.847 1.00 35.74 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? 39.959 7.789 -1.401 1.00 36.18 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? 40.563 9.120 -1.145 1.00 36.10 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? 39.795 9.715 -0.008 1.00 36.01 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? 38.435 6.520 0.984 1.00 37.79 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? 38.106 5.334 1.769 1.00 39.01 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? 38.200 5.595 3.272 1.00 39.36 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? 38.997 6.419 3.719 1.00 39.08 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? 39.044 4.185 1.389 1.00 39.85 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? 38.597 2.959 1.941 1.00 41.69 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? 37.363 4.892 4.034 1.00 39.50 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? 37.431 4.876 5.496 1.00 39.68 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? 37.371 3.415 5.945 1.00 40.88 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? 36.581 2.631 5.414 1.00 40.40 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? 36.272 5.662 6.146 1.00 39.39 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? 36.365 5.605 7.666 1.00 39.33 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? 36.270 7.110 5.678 1.00 39.33 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? 38.198 3.062 6.926 1.00 41.84 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? 38.320 1.674 7.374 1.00 42.60 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? 37.496 1.391 8.626 1.00 42.69 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? 37.485 2.183 9.570 1.00 43.74 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? 39.789 1.317 7.630 1.00 43.62 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? 40.411 0.877 6.435 1.00 44.33 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? 36.810 0.251 8.616 1.00 41.85 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? 36.095 -0.238 9.786 1.00 41.69 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? 34.770 0.454 10.026 1.00 40.59 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? 34.129 0.937 9.091 1.00 40.91 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? 34.368 0.502 11.294 1.00 39.65 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? 33.076 1.059 11.693 1.00 38.98 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? 32.958 2.558 11.418 1.00 38.39 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? 31.856 3.063 11.210 1.00 38.14 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? 32.816 0.777 13.166 1.00 39.50 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? 34.090 3.262 11.408 1.00 37.16 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? 34.110 4.704 11.141 1.00 35.89 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? 33.609 5.115 9.763 1.00 34.64 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? 33.312 6.290 9.534 1.00 33.81 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? 33.519 4.152 8.847 1.00 33.94 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? 32.967 4.382 7.512 1.00 33.46 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? 31.481 4.763 7.533 1.00 31.86 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? 30.981 5.346 6.571 1.00 31.39 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? 33.164 3.132 6.645 1.00 35.00 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? 32.761 3.287 5.185 1.00 36.61 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? 33.083 2.039 4.382 1.00 38.65 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? 32.879 2.256 2.951 1.00 41.05 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? 33.831 2.570 2.071 1.00 42.12 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? 33.503 2.750 0.797 1.00 43.19 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? 35.107 2.698 2.438 1.00 42.51 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? 30.783 4.445 8.622 1.00 31.25 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? 29.328 4.588 8.666 1.00 30.41 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? 28.836 5.600 9.701 1.00 30.38 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? 29.188 5.533 10.883 1.00 32.23 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? 28.690 3.217 8.893 1.00 30.41 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? 29.249 2.183 7.949 1.00 29.65 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? 28.934 2.212 6.594 1.00 29.46 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? 30.125 1.200 8.401 1.00 29.62 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? 29.458 1.275 5.719 1.00 29.30 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? 30.655 0.261 7.532 1.00 29.35 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? 30.321 0.304 6.195 1.00 29.56 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? 30.847 -0.630 5.335 1.00 30.25 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? 28.021 6.540 9.226 1.00 28.75 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? 27.344 7.517 10.068 1.00 28.12 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? 25.961 6.985 10.418 1.00 27.26 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? 25.263 6.461 9.549 1.00 26.40 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? 27.203 8.846 9.321 1.00 28.46 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? 26.283 9.913 9.924 1.00 28.92 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? 26.823 10.421 11.250 1.00 29.23 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? 26.110 11.061 8.946 1.00 29.05 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? 25.568 7.140 11.678 1.00 26.43 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? 24.228 6.768 12.126 1.00 26.35 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? 23.328 7.998 12.226 1.00 26.03 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? 23.645 8.949 12.945 1.00 25.60 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? 24.293 6.064 13.479 1.00 26.95 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? 25.182 4.823 13.562 1.00 27.28 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? 25.121 4.241 14.964 1.00 28.11 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? 24.784 3.773 12.534 1.00 27.75 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? 22.214 7.969 11.492 1.00 25.21 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? 21.186 9.002 11.574 1.00 25.11 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? 20.001 8.469 12.356 1.00 25.32 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? 19.382 7.489 11.939 1.00 24.71 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? 20.673 9.387 10.187 1.00 25.48 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? 21.719 9.868 9.210 1.00 25.74 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? 20.917 10.679 7.814 1.00 26.51 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? 20.047 9.311 7.041 1.00 25.71 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? 19.670 9.121 13.465 1.00 25.16 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? 18.487 8.765 14.248 1.00 25.62 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? 17.319 9.643 13.825 1.00 25.22 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? 17.324 10.851 14.067 1.00 25.69 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? 18.758 8.925 15.744 1.00 26.57 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? 19.978 8.196 16.208 1.00 27.66 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? 20.010 6.829 16.370 1.00 28.10 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? 21.214 8.643 16.531 1.00 28.28 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? 21.212 6.465 16.777 1.00 28.52 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? 21.962 7.547 16.881 1.00 28.82 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? 16.325 9.033 13.183 1.00 24.05 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? 15.160 9.754 12.686 1.00 24.05 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? 13.926 9.380 13.491 1.00 25.06 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? 13.656 8.198 13.699 1.00 25.74 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? 14.933 9.427 11.213 1.00 23.37 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? 16.113 9.719 10.288 1.00 22.68 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? 15.806 9.216 8.889 1.00 22.46 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? 16.448 11.205 10.258 1.00 22.69 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? 13.177 10.391 13.928 1.00 25.29 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? 11.982 10.186 14.749 1.00 26.02 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? 10.745 10.693 14.024 1.00 26.10 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? 10.702 11.847 13.583 1.00 25.60 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? 12.110 10.921 16.085 1.00 26.04 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? 13.268 10.468 16.922 1.00 26.32 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? 14.555 10.910 16.650 1.00 26.36 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? 13.071 9.611 17.995 1.00 26.57 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? 15.625 10.495 17.421 1.00 26.88 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? 14.138 9.192 18.772 1.00 26.97 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? 15.416 9.636 18.488 1.00 27.10 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? 9.735 9.835 13.900 1.00 26.20 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? 8.472 10.252 13.310 1.00 26.42 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? 7.716 11.131 14.303 1.00 27.57 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? 8.152 11.305 15.444 1.00 26.98 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? 7.643 9.050 12.813 1.00 26.22 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? 7.027 8.226 13.932 1.00 25.86 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? 7.105 8.573 15.105 1.00 25.41 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? 6.397 7.115 13.556 1.00 26.09 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? 6.599 11.692 13.863 1.00 29.08 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? 5.840 12.632 14.683 1.00 31.52 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? 5.434 12.045 16.045 1.00 31.46 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? 5.412 12.760 17.049 1.00 31.53 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? 4.614 13.110 13.911 1.00 32.62 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? 3.726 14.030 14.698 1.00 35.08 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? 2.663 13.525 15.438 1.00 36.22 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? 3.948 15.406 14.712 1.00 36.52 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? 1.843 14.358 16.166 1.00 37.28 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? 3.125 16.252 15.437 1.00 37.60 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? 2.076 15.716 16.160 1.00 38.09 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? 1.246 16.524 16.888 1.00 39.88 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? 5.140 10.747 16.072 1.00 31.55 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? 4.761 10.047 17.306 1.00 32.61 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? 5.944 9.679 18.201 1.00 31.63 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? 5.749 9.156 19.300 1.00 32.02 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? 3.967 8.778 16.970 1.00 34.16 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? 2.617 9.082 16.362 1.00 35.91 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? 2.105 8.240 15.596 1.00 37.95 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? 2.066 10.165 16.648 1.00 36.42 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? 7.165 9.942 17.738 1.00 30.11 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? 8.359 9.697 18.540 1.00 29.78 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? 8.988 8.327 18.347 1.00 29.41 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? 9.976 8.005 19.010 1.00 29.50 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? 8.420 7.515 17.456 1.00 29.36 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? 9.037 6.244 17.078 1.00 29.62 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? 10.231 6.520 16.181 1.00 29.04 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? 10.258 7.530 15.474 1.00 29.14 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? 8.051 5.332 16.344 1.00 31.15 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? 6.924 4.832 17.231 1.00 32.76 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? 5.769 4.814 16.815 1.00 35.54 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? 7.253 4.399 18.445 1.00 34.12 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? 11.204 5.617 16.191 1.00 27.95 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? 12.500 5.911 15.598 1.00 27.51 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? 13.101 4.777 14.775 1.00 26.62 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? 12.874 3.595 15.041 1.00 26.27 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? 13.516 6.318 16.688 1.00 28.01 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? 14.741 6.741 16.080 1.00 28.13 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? 13.794 5.167 17.657 1.00 28.08 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? 13.868 5.169 13.763 1.00 25.61 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? 14.768 4.264 13.069 1.00 24.25 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? 16.163 4.887 13.070 1.00 24.29 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? 16.307 6.110 13.172 1.00 24.26 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? 14.296 3.967 11.627 1.00 24.15 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? 14.296 5.235 10.761 1.00 23.40 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? 12.908 3.343 11.653 1.00 24.19 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? 14.102 4.972 9.282 1.00 23.41 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? 17.183 4.042 12.985 1.00 23.45 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? 18.554 4.500 12.831 1.00 23.28 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? 19.015 4.083 11.444 1.00 22.65 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? 18.951 2.905 11.095 1.00 21.91 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? 19.482 3.911 13.908 1.00 23.81 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? 18.963 4.221 15.206 1.00 24.28 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? 20.884 4.488 13.793 1.00 23.88 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? 19.455 5.056 10.651 1.00 21.46 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? 19.884 4.806 9.278 1.00 20.91 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? 21.406 4.877 9.199 1.00 21.13 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? 22.008 5.836 9.684 1.00 21.63 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? 19.274 5.840 8.309 1.00 20.46 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? 19.667 5.530 6.871 1.00 20.41 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? 17.756 5.866 8.448 1.00 20.36 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? 22.015 3.862 8.594 1.00 21.01 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? 23.470 3.816 8.411 1.00 21.10 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? 23.846 4.388 7.050 1.00 21.18 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? 23.338 3.941 6.023 1.00 20.27 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? 23.984 2.390 8.543 1.00 21.49 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? 24.743 5.374 7.052 1.00 21.40 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? 25.147 6.078 5.839 1.00 22.13 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? 26.658 5.946 5.643 1.00 23.04 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? 27.426 6.219 6.561 1.00 23.76 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? 24.779 7.578 5.923 1.00 22.04 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? 25.202 8.316 4.665 1.00 22.24 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? 23.283 7.758 6.152 1.00 21.97 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? 27.068 5.518 4.452 1.00 23.67 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? 28.483 5.420 4.091 1.00 24.93 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? 29.018 6.842 3.902 1.00 25.11 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? 28.529 7.578 3.049 1.00 24.93 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? 28.631 4.580 2.814 1.00 25.41 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? 30.081 4.439 2.344 1.00 26.43 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? 30.422 3.361 1.817 1.00 27.55 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? 30.870 5.396 2.476 1.00 27.23 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? 30.011 7.228 4.703 1.00 25.91 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? 30.460 8.631 4.733 1.00 26.62 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? 31.331 9.034 3.535 1.00 27.34 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? 31.608 10.223 3.351 1.00 28.29 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? 31.169 9.010 6.058 1.00 26.61 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? 30.277 8.712 7.257 1.00 26.38 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? 32.524 8.323 6.196 1.00 26.56 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? 31.747 8.061 2.725 1.00 28.07 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? 32.527 8.337 1.517 1.00 28.46 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? 31.646 8.759 0.335 1.00 27.29 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? 32.113 9.459 -0.555 1.00 26.83 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? 33.402 7.129 1.084 1.00 29.37 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? 32.581 6.074 0.566 1.00 30.20 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? 34.245 6.608 2.249 1.00 29.82 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? 30.380 8.334 0.317 1.00 25.90 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? 29.491 8.632 -0.817 1.00 25.00 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? 28.054 9.049 -0.453 1.00 23.58 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? 27.249 9.321 -1.343 1.00 23.46 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? 29.455 7.433 -1.772 1.00 25.60 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? 29.096 6.136 -1.070 1.00 26.15 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? 28.495 6.141 0.006 1.00 25.07 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? 29.470 5.015 -1.677 1.00 26.98 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? 27.761 9.114 0.846 1.00 23.58 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? 26.427 9.435 1.382 1.00 23.31 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? 25.343 8.434 0.944 1.00 24.12 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? 24.155 8.776 0.895 1.00 22.88 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? 25.975 10.885 1.050 1.00 23.31 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? 25.100 11.432 2.171 1.00 23.17 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? 27.167 11.815 0.848 1.00 23.52 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? 25.755 7.202 0.643 1.00 24.63 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? 24.822 6.136 0.274 1.00 25.88 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? 24.241 5.530 1.544 1.00 24.77 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? 24.972 5.228 2.488 1.00 24.38 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? 25.526 5.027 -0.522 1.00 27.67 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? 25.862 5.334 -1.971 1.00 30.06 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? 25.820 6.633 -2.482 1.00 31.16 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? 26.265 4.311 -2.827 1.00 32.31 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? 26.141 6.894 -3.807 1.00 32.71 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? 26.592 4.564 -4.149 1.00 33.64 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? 26.529 5.855 -4.635 1.00 34.20 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? 26.853 6.100 -5.952 1.00 35.90 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? 22.923 5.360 1.575 1.00 23.95 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? 22.284 4.647 2.675 1.00 23.69 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? 22.537 3.149 2.494 1.00 23.22 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? 22.266 2.594 1.429 1.00 22.91 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? 20.772 4.951 2.750 1.00 23.89 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? 20.567 6.393 3.244 1.00 24.48 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? 20.068 3.961 3.672 1.00 24.04 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? 19.135 6.887 3.201 1.00 25.10 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? 23.054 2.508 3.538 1.00 23.16 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? 23.379 1.077 3.502 1.00 23.87 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? 22.230 0.220 4.024 1.00 22.86 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? 21.964 -0.869 3.506 1.00 21.90 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? 24.621 0.801 4.354 1.00 25.47 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? 25.895 1.465 3.855 1.00 26.67 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? 26.480 0.775 2.299 1.00 29.05 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? 25.749 1.877 1.095 1.00 28.65 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? 21.573 0.716 5.065 1.00 22.37 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? 20.536 -0.027 5.761 1.00 21.62 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? 20.035 0.768 6.945 1.00 21.79 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? 20.396 1.931 7.116 1.00 22.07 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? 19.195 0.147 7.762 1.00 21.38 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? 18.615 0.833 8.907 1.00 21.58 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? 18.151 -0.168 9.948 1.00 21.91 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? 17.959 -1.351 9.650 1.00 22.00 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? 17.446 1.731 8.470 1.00 21.57 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? 16.383 0.983 7.706 1.00 21.07 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? 16.507 0.768 6.338 1.00 21.00 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? 15.264 0.469 8.352 1.00 21.33 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? 15.550 0.066 5.635 1.00 20.85 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? 14.301 -0.240 7.657 1.00 20.99 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? 14.446 -0.435 6.300 1.00 21.07 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? 13.493 -1.136 5.603 1.00 21.46 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? 17.978 0.331 11.165 1.00 22.71 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? 17.531 -0.454 12.302 1.00 23.83 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? 16.152 0.033 12.724 1.00 24.05 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? 15.944 1.234 12.925 1.00 24.11 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? 18.512 -0.290 13.463 1.00 24.24 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? 18.204 -1.038 14.764 1.00 24.87 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? 18.335 -2.536 14.555 1.00 25.14 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? 19.128 -0.578 15.880 1.00 25.31 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? 15.214 -0.899 12.848 1.00 24.47 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? 13.873 -0.591 13.339 1.00 25.40 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? 13.540 -1.550 14.479 1.00 26.28 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? 13.310 -2.735 14.246 1.00 25.71 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? 12.857 -0.707 12.216 1.00 25.80 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? 13.530 -1.017 15.703 1.00 27.95 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? 13.394 -1.801 16.936 0.50 28.23 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? 14.530 -2.833 17.069 1.00 28.95 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? 15.666 -2.458 17.370 1.00 30.24 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? 11.990 -2.419 17.054 0.50 28.28 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? 11.662 -3.154 18.360 0.50 28.17 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? 12.257 -2.447 19.569 0.50 28.03 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? 10.158 -3.307 18.518 0.50 28.29 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? 14.248 -4.114 16.839 1.00 28.95 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? 15.259 -5.159 17.014 1.00 28.62 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? 15.606 -5.849 15.693 1.00 27.40 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? 16.303 -6.865 15.682 1.00 28.90 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? 14.801 -6.200 18.057 1.00 28.64 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? 13.560 -6.786 17.647 1.00 28.56 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? 14.620 -5.546 19.415 1.00 29.08 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? 15.144 -5.280 14.582 1.00 26.23 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? 15.405 -5.839 13.259 1.00 24.86 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? 16.215 -4.860 12.420 1.00 23.81 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? 15.850 -3.687 12.301 1.00 23.08 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? 14.091 -6.157 12.521 1.00 25.32 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? 13.315 -7.085 13.289 1.00 25.40 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? 14.361 -6.760 11.151 1.00 25.32 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? 17.307 -5.347 11.833 1.00 22.98 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? 18.081 -4.563 10.877 1.00 22.39 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? 17.680 -4.926 9.453 1.00 22.11 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? 17.254 -6.051 9.179 1.00 21.40 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? 19.587 -4.764 11.081 1.00 22.55 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? 19.989 -6.083 10.766 1.00 22.28 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? 17.809 -3.954 8.556 1.00 21.68 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? 17.470 -4.113 7.151 1.00 21.52 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? 18.607 -3.530 6.319 1.00 21.75 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? 19.033 -2.405 6.573 1.00 21.38 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? 16.183 -3.348 6.831 1.00 21.99 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? 14.989 -3.785 7.652 1.00 22.12 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? 14.762 -3.263 8.921 1.00 22.34 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? 14.091 -4.720 7.157 1.00 22.71 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? 13.670 -3.659 9.673 1.00 22.46 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? 12.996 -5.124 7.902 1.00 23.13 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? 12.791 -4.592 9.159 1.00 22.56 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? 11.703 -4.997 9.900 1.00 23.65 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? 19.090 -4.288 5.338 1.00 21.98 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? 20.168 -3.837 4.453 1.00 22.36 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? 19.812 -4.056 2.990 1.00 22.61 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? 19.106 -5.007 2.648 1.00 23.43 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? 21.464 -4.588 4.771 1.00 22.77 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? 22.050 -4.241 6.103 1.00 22.69 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? 22.917 -3.169 6.231 1.00 22.94 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? 21.736 -4.984 7.228 1.00 22.72 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? 23.456 -2.841 7.463 1.00 23.16 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? 22.274 -4.664 8.462 1.00 23.23 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? 23.134 -3.588 8.580 1.00 23.14 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? 20.309 -3.175 2.125 1.00 22.72 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? 20.139 -3.340 0.685 1.00 22.53 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? 20.856 -4.597 0.201 1.00 23.64 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? 21.859 -5.008 0.788 1.00 23.24 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? 20.660 -2.114 -0.076 1.00 22.22 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? 19.746 -0.921 -0.006 1.00 21.94 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? 18.443 -1.008 -0.472 1.00 21.54 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? 20.189 0.291 0.513 1.00 21.92 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? 17.594 0.083 -0.413 1.00 21.91 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? 19.346 1.390 0.569 1.00 22.02 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? 18.048 1.287 0.103 1.00 21.68 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? 20.333 -5.202 -0.862 1.00 24.40 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? 20.958 -6.380 -1.463 1.00 26.08 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? 22.069 -5.938 -2.414 1.00 26.34 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? 21.890 -5.894 -3.629 1.00 26.46 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? 19.915 -7.240 -2.190 1.00 26.29 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? 20.419 -8.638 -2.507 1.00 26.78 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? 21.326 -9.149 -1.856 1.00 27.61 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? 19.812 -9.273 -3.499 1.00 27.13 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? 23.208 -5.581 -1.829 1.00 27.91 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? 24.379 -5.135 -2.585 1.00 28.28 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? 25.627 -5.333 -1.718 1.00 27.98 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? 25.532 -5.311 -0.487 1.00 27.30 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? 24.226 -3.668 -2.995 1.00 29.62 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? 24.194 -2.705 -1.815 1.00 30.61 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? 23.773 -1.295 -2.182 1.00 32.19 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? 22.927 -1.110 -3.079 1.00 31.75 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? 24.288 -0.351 -1.543 1.00 35.79 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? 26.800 -5.541 -2.349 1.00 28.10 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? 28.005 -5.860 -1.564 1.00 28.17 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? 28.413 -4.814 -0.524 1.00 28.12 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? 28.855 -5.178 0.562 1.00 28.68 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? 29.090 -6.009 -2.633 1.00 28.36 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? 28.357 -6.393 -3.864 1.00 28.29 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? 27.041 -5.674 -3.798 1.00 27.92 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? 28.267 -3.533 -0.848 1.00 28.65 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? 28.620 -2.465 0.088 1.00 28.16 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? 27.771 -2.516 1.357 1.00 27.78 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? 28.269 -2.254 2.448 1.00 27.15 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? 28.490 -1.107 -0.578 1.00 28.26 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? 26.492 -2.853 1.208 1.00 27.62 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? 25.583 -2.939 2.348 1.00 28.48 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? 25.846 -4.191 3.181 1.00 28.97 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? 25.751 -4.150 4.406 1.00 29.00 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? 24.135 -2.906 1.876 1.00 28.35 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? 26.167 -5.304 2.522 1.00 30.51 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? 26.539 -6.526 3.236 1.00 32.13 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? 27.784 -6.280 4.086 1.00 31.17 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? 27.842 -6.707 5.237 1.00 30.84 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? 26.780 -7.690 2.270 1.00 34.56 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? 27.132 -8.990 2.994 1.00 36.82 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? 26.494 -9.307 4.023 1.00 39.33 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? 28.053 -9.696 2.531 1.00 40.09 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? 28.770 -5.590 3.513 1.00 31.51 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? 29.963 -5.179 4.256 1.00 31.46 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? 29.568 -4.336 5.466 1.00 30.27 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? 30.002 -4.605 6.582 1.00 29.82 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? 30.925 -4.399 3.347 1.00 32.49 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? 32.153 -3.741 3.993 1.00 33.55 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? 32.984 -4.754 4.764 1.00 34.13 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? 33.000 -3.047 2.938 1.00 34.10 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? 28.723 -3.332 5.244 1.00 29.53 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? 28.228 -2.491 6.336 1.00 29.11 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? 27.598 -3.310 7.466 1.00 28.78 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? 27.760 -2.977 8.640 1.00 28.51 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? 27.237 -1.459 5.809 1.00 29.08 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? 26.901 -4.392 7.117 1.00 29.39 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? 26.248 -5.240 8.125 1.00 29.62 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? 27.243 -5.960 9.047 1.00 31.47 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? 26.857 -6.474 10.096 1.00 30.27 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? 25.296 -6.247 7.466 1.00 29.55 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? 25.990 -7.306 6.826 1.00 28.82 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? 28.519 -5.983 8.664 1.00 33.36 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? 29.572 -6.497 9.543 1.00 35.10 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? 29.916 -5.534 10.681 1.00 35.17 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? 30.541 -5.943 11.660 1.00 35.41 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? 30.848 -6.802 8.753 1.00 36.95 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? 30.664 -7.781 7.605 1.00 38.86 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? 31.947 -8.516 7.250 1.00 41.08 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? 32.573 -9.136 8.110 1.00 43.78 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? 32.339 -8.459 5.980 1.00 42.15 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? 29.513 -4.267 10.553 1.00 34.42 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? 29.930 -3.213 11.482 1.00 34.40 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? 28.801 -2.525 12.262 1.00 33.55 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? 29.011 -2.119 13.405 1.00 33.34 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? 30.748 -2.163 10.720 1.00 35.32 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? 32.028 -2.726 10.146 1.00 35.98 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? 33.173 -2.836 10.930 1.00 36.99 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? 32.091 -3.165 8.829 1.00 36.82 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? 34.345 -3.362 10.415 1.00 37.38 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? 33.259 -3.693 8.305 1.00 37.73 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? 34.383 -3.787 9.102 1.00 37.88 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? 35.544 -4.312 8.582 1.00 39.56 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? 27.620 -2.380 11.660 1.00 31.75 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? 26.518 -1.658 12.314 1.00 31.37 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? 25.311 -2.546 12.597 1.00 31.03 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? 25.058 -3.513 11.878 1.00 30.84 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? 26.054 -0.428 11.499 1.00 31.22 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? 27.196 0.564 11.333 1.00 31.45 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? 25.487 -0.831 10.142 1.00 31.05 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? 24.575 -2.190 13.647 1.00 31.33 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? 23.349 -2.886 14.058 1.00 31.74 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? 23.564 -4.369 14.360 1.00 34.08 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? 22.650 -5.177 14.195 1.00 33.95 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? 22.248 -2.738 12.999 1.00 30.96 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? 22.080 -1.338 12.478 1.00 29.88 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? 22.118 -0.242 13.338 1.00 29.90 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? 21.851 -1.117 11.126 1.00 29.57 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? 21.955 1.044 12.848 1.00 29.03 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? 21.685 0.168 10.635 1.00 29.30 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? 21.738 1.248 11.498 1.00 29.11 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? 24.765 -4.714 14.819 1.00 36.55 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? 25.118 -6.104 15.104 1.00 38.92 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? 24.292 -6.693 16.253 1.00 38.65 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? 24.070 -7.902 16.300 1.00 39.07 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? 26.612 -6.213 15.420 1.00 40.41 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? 27.521 -5.910 14.233 1.00 41.93 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? 27.659 -7.106 13.304 1.00 43.56 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? 28.124 -8.288 14.026 1.00 44.81 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? 29.378 -8.505 14.425 1.00 45.92 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? 30.345 -7.626 14.173 1.00 46.57 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? 29.667 -9.620 15.087 1.00 45.68 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? 23.829 -5.835 17.161 1.00 38.71 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? 23.008 -6.265 18.295 1.00 38.09 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? 21.533 -6.514 17.942 1.00 36.58 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? 20.761 -6.924 18.804 1.00 36.37 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? 23.108 -5.246 19.436 1.00 39.39 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? 22.768 -3.944 18.997 1.00 40.98 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? 21.141 -6.271 16.690 1.00 34.73 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? 19.785 -6.586 16.231 1.00 33.54 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? 19.491 -8.077 16.391 1.00 33.40 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? 20.366 -8.913 16.169 1.00 32.81 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? 19.603 -6.172 14.777 1.00 32.92 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? 18.261 -8.405 16.777 1.00 33.42 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? 17.867 -9.805 16.954 1.00 34.18 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 17.843 -10.565 15.621 1.00 32.18 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 18.194 -11.741 15.576 1.00 31.54 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 16.511 -9.910 17.658 1.00 36.08 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? 16.534 -9.492 19.121 1.00 38.10 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 15.240 -9.841 19.848 1.00 40.28 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 15.233 -11.228 20.326 1.00 42.04 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 14.426 -12.204 19.900 1.00 43.95 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 13.499 -11.990 18.965 1.00 45.21 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 14.541 -13.419 20.429 1.00 44.78 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? 17.434 -9.900 14.543 1.00 30.89 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 17.481 -10.502 13.205 1.00 30.11 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? 17.882 -9.477 12.151 1.00 28.59 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? 17.703 -8.273 12.350 1.00 28.94 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 16.130 -11.133 12.836 1.00 31.61 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 14.957 -10.170 12.907 1.00 32.33 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 13.705 -10.695 12.214 1.00 33.35 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 12.658 -9.671 12.213 1.00 34.05 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 11.472 -9.763 11.603 1.00 35.39 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 10.620 -8.747 11.690 1.00 36.03 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 11.122 -10.847 10.914 1.00 35.04 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? 18.429 -9.969 11.042 1.00 27.02 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? 18.823 -9.134 9.911 1.00 26.49 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? 18.089 -9.555 8.651 1.00 25.53 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 18.226 -10.690 8.192 1.00 25.77 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? 20.328 -9.222 9.653 1.00 27.07 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? 20.775 -8.426 8.434 1.00 27.59 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? 22.280 -8.440 8.253 1.00 28.45 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? 22.764 -9.750 7.655 1.00 28.58 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? 24.243 -9.748 7.503 1.00 29.34 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? 17.332 -8.626 8.079 1.00 23.77 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? 16.654 -8.854 6.813 1.00 22.80 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? 17.422 -8.149 5.697 1.00 22.73 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? 17.749 -6.965 5.804 1.00 22.66 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? 15.190 -8.347 6.867 1.00 22.82 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 14.398 -9.189 7.879 1.00 22.93 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? 14.563 -8.383 5.475 1.00 22.74 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 12.966 -8.750 8.130 1.00 23.14 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? 17.726 -8.883 4.635 1.00 22.52 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? 18.268 -8.273 3.431 1.00 23.31 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? 17.083 -7.930 2.543 1.00 23.01 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? 16.290 -8.804 2.196 1.00 22.43 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? 19.244 -9.209 2.694 1.00 23.88 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? 20.301 -9.586 3.584 1.00 24.51 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? 19.837 -8.525 1.470 1.00 24.11 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? 16.959 -6.655 2.185 1.00 22.42 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? 15.874 -6.209 1.309 1.00 23.20 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? 16.016 -6.857 -0.066 1.00 23.71 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? 17.131 -7.163 -0.483 1.00 24.17 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? 15.893 -4.686 1.168 1.00 22.72 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? 15.668 -3.894 2.456 1.00 23.30 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? 16.063 -2.437 2.265 1.00 23.13 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? 14.221 -4.010 2.921 1.00 23.44 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? 14.891 -7.079 -0.774 1.00 23.63 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? 14.943 -7.725 -2.091 1.00 24.35 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? 15.219 -6.751 -3.247 1.00 24.88 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? 14.612 -6.854 -4.314 1.00 25.42 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 13.548 -8.348 -2.210 1.00 24.11 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 12.673 -7.391 -1.479 1.00 23.66 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? 13.499 -6.883 -0.322 1.00 23.71 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? 16.130 -5.808 -3.018 1.00 24.36 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? 16.606 -4.893 -4.045 1.00 24.15 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? 17.865 -4.198 -3.549 1.00 24.32 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? 18.128 -4.150 -2.345 1.00 23.35 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? 15.544 -3.846 -4.418 1.00 23.69 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? 14.661 -3.414 -3.267 1.00 23.11 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? 15.123 -2.534 -2.295 1.00 22.28 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? 13.357 -3.888 -3.155 1.00 22.95 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? 14.314 -2.142 -1.242 1.00 22.06 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? 12.539 -3.501 -2.107 1.00 22.25 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? 13.018 -2.628 -1.154 1.00 21.84 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? 12.206 -2.248 -0.112 1.00 21.39 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? 18.642 -3.677 -4.490 1.00 25.20 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? 19.774 -2.818 -4.166 1.00 25.78 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? 19.259 -1.403 -3.925 1.00 25.53 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? 18.064 -1.132 -4.084 1.00 25.02 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? 20.794 -2.821 -5.302 1.00 26.44 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? 20.232 -2.284 -6.481 1.00 27.98 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? 20.165 -0.507 -3.548 1.00 25.92 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? 19.801 0.856 -3.175 1.00 26.21 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? 19.783 1.885 -4.291 1.00 27.36 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? 19.472 3.048 -4.045 1.00 27.65 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? 20.111 1.494 -5.519 1.00 28.39 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? 20.126 2.481 -6.600 1.00 29.72 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? 18.714 2.840 -7.055 1.00 29.01 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? 17.784 2.030 -6.958 1.00 28.54 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? 21.000 2.038 -7.771 1.00 31.26 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? 20.415 0.873 -8.532 1.00 32.12 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? 19.587 1.053 -9.426 1.00 33.35 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? 20.863 -0.330 -8.200 1.00 33.90 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? 18.566 4.065 -7.545 1.00 27.92 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? 17.255 4.614 -7.876 1.00 27.49 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? 16.464 3.748 -8.849 1.00 28.74 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? 15.252 3.582 -8.702 1.00 27.16 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? 17.401 6.020 -8.460 1.00 27.08 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? 17.603 7.122 -7.437 1.00 26.04 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? 16.867 7.153 -6.257 1.00 25.90 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? 18.495 8.163 -7.677 1.00 25.89 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? 17.031 8.170 -5.335 1.00 25.66 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? 18.668 9.187 -6.757 1.00 25.11 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? 17.931 9.185 -5.589 1.00 24.97 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? 18.084 10.190 -4.670 1.00 23.92 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? 17.155 3.191 -9.834 1.00 30.50 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? 16.488 2.433 -10.883 1.00 32.52 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? 15.807 1.191 -10.293 1.00 31.66 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? 14.655 0.901 -10.618 1.00 32.69 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? 17.475 2.067 -12.000 1.00 34.96 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? 17.947 3.255 -12.840 1.00 37.49 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? 18.878 4.213 -12.102 1.00 39.86 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? 19.682 3.758 -11.257 1.00 42.32 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? 18.810 5.434 -12.370 1.00 42.38 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? 16.502 0.489 -9.400 1.00 31.22 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? 15.946 -0.708 -8.754 1.00 31.28 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? 14.846 -0.400 -7.742 1.00 29.54 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? 13.868 -1.138 -7.646 1.00 28.27 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? 17.054 -1.522 -8.077 1.00 33.12 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? 18.035 -2.150 -9.049 1.00 35.37 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? 17.341 -3.103 -10.007 1.00 38.01 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? 18.284 -3.797 -10.876 1.00 41.11 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? 17.937 -4.673 -11.818 1.00 43.19 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? 16.656 -4.971 -12.030 1.00 44.23 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? 18.877 -5.252 -12.556 1.00 44.13 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? 15.010 0.676 -6.979 1.00 28.04 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? 13.991 1.073 -6.005 1.00 26.64 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? 12.681 1.472 -6.678 1.00 26.58 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? 11.603 1.158 -6.172 1.00 26.76 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? 14.490 2.228 -5.137 1.00 26.14 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? 15.518 1.852 -4.075 1.00 25.74 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? 16.184 3.103 -3.531 1.00 25.54 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? 14.868 1.060 -2.950 1.00 25.77 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? 12.784 2.172 -7.805 1.00 26.82 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? 11.611 2.592 -8.574 1.00 27.14 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? 10.845 1.389 -9.134 1.00 27.41 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? 9.616 1.376 -9.130 1.00 26.60 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? 12.028 3.546 -9.699 1.00 27.55 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? 12.441 4.927 -9.190 1.00 27.41 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? 12.991 5.880 -10.250 1.00 28.16 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? 13.141 7.074 -9.980 1.00 28.20 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? 13.286 5.377 -11.447 1.00 28.31 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? 11.579 0.382 -9.600 1.00 28.13 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? 10.976 -0.877 -10.056 1.00 29.10 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? 10.219 -1.555 -8.907 1.00 28.48 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? 9.074 -1.959 -9.074 1.00 28.32 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? 12.039 -1.830 -10.656 1.00 29.91 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? 12.557 -1.268 -11.987 1.00 31.02 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? 11.470 -3.229 -10.877 1.00 30.29 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? 13.808 -1.945 -12.511 1.00 31.64 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? 10.857 -1.658 -7.742 1.00 28.70 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? 10.231 -2.268 -6.564 1.00 28.27 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? 9.015 -1.481 -6.074 1.00 28.73 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? 8.002 -2.071 -5.700 1.00 28.40 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? 11.246 -2.425 -5.440 1.00 28.16 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? 9.116 -0.154 -6.088 1.00 28.72 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? 8.026 0.712 -5.633 1.00 29.14 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? 6.868 0.783 -6.637 1.00 30.51 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? 5.737 1.112 -6.265 1.00 31.11 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? 8.556 2.107 -5.338 1.00 28.99 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? 7.153 0.481 -7.902 1.00 31.66 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? 6.138 0.494 -8.953 1.00 32.62 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? 5.881 1.873 -9.538 1.00 33.91 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? 4.857 2.096 -10.187 1.00 34.19 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? 6.805 2.802 -9.310 1.00 34.76 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? 6.681 4.150 -9.856 1.00 34.75 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? 8.021 4.887 -9.835 1.00 34.17 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? 8.846 4.660 -8.944 1.00 32.77 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? 5.616 4.950 -9.094 1.00 36.44 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? 5.641 4.756 -7.586 1.00 37.62 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? 4.650 5.662 -6.868 1.00 39.04 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? 3.205 5.277 -7.147 1.00 39.99 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? 2.286 5.789 -6.090 1.00 41.26 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? 8.243 5.770 -10.823 1.00 33.37 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? 9.437 6.598 -10.806 1.00 33.38 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? 9.272 7.690 -9.762 1.00 32.88 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? 8.142 8.059 -9.426 1.00 33.47 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? 9.469 7.190 -12.213 1.00 33.57 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? 8.037 7.290 -12.597 1.00 33.69 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? 7.344 6.129 -11.937 1.00 33.92 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? 10.376 8.216 -9.252 1.00 32.62 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? 10.277 9.192 -8.173 1.00 32.36 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? 9.782 10.565 -8.655 1.00 31.92 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? 9.429 11.410 -7.839 1.00 30.35 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? 11.581 9.270 -7.383 1.00 33.38 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? 12.762 9.828 -8.142 1.00 32.80 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? 14.060 9.327 -7.540 1.00 32.61 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? 15.196 10.090 -8.041 1.00 32.82 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? 15.830 9.865 -9.192 1.00 32.31 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? 15.458 8.881 -10.004 1.00 33.29 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? 16.854 10.640 -9.533 1.00 30.76 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? 9.706 10.769 -9.972 1.00 32.23 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? 8.974 11.917 -10.526 1.00 33.33 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? 7.525 11.983 -10.026 1.00 32.28 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? 6.937 13.062 -9.969 1.00 32.48 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? 8.959 11.883 -12.063 1.00 34.61 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? 10.236 12.377 -12.728 1.00 35.94 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? 11.275 11.290 -12.932 1.00 36.37 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? 12.205 11.511 -13.737 1.00 39.07 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? 11.170 10.221 -12.297 1.00 36.46 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? 6.952 10.829 -9.686 1.00 31.66 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? 5.557 10.744 -9.247 1.00 31.47 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? 5.378 10.542 -7.740 1.00 29.87 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? 4.244 10.433 -7.265 1.00 29.10 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? 4.848 9.614 -9.998 1.00 32.90 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? 4.788 9.829 -11.501 1.00 34.88 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? 3.421 9.477 -12.066 1.00 36.68 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? 3.276 9.926 -13.511 1.00 38.36 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? 3.135 11.406 -13.648 1.00 39.10 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? 6.479 10.497 -6.989 1.00 27.53 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? 6.415 10.275 -5.542 1.00 26.33 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? 6.601 11.607 -4.807 1.00 25.43 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? 7.687 12.192 -4.853 1.00 24.81 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? 7.481 9.260 -5.065 1.00 26.04 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? 7.296 7.918 -5.783 1.00 26.17 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? 7.393 9.061 -3.556 1.00 26.18 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? 8.403 6.908 -5.544 1.00 25.95 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? 5.549 12.093 -4.120 1.00 24.39 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? 5.708 13.337 -3.366 1.00 23.74 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? 6.776 13.227 -2.286 1.00 22.86 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? 6.920 12.173 -1.664 1.00 22.43 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? 4.330 13.550 -2.724 1.00 23.82 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? 3.388 12.738 -3.540 1.00 24.21 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? 4.175 11.564 -4.026 1.00 24.38 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? 7.523 14.308 -2.088 1.00 22.37 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? 8.506 14.385 -1.016 1.00 21.92 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? 8.259 15.642 -0.189 1.00 22.04 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? 7.507 16.534 -0.597 1.00 21.83 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? 9.961 14.316 -1.547 1.00 22.38 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? 10.256 15.441 -2.549 1.00 22.57 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? 10.203 12.964 -2.195 1.00 22.39 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? 11.670 15.415 -3.101 1.00 23.01 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? 8.888 15.690 0.977 1.00 21.68 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? 8.640 16.726 1.964 1.00 21.59 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? 8.799 16.150 3.350 1.00 21.52 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? 9.112 14.963 3.505 1.00 21.22 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? 8.586 16.981 4.365 1.00 21.06 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? 8.697 16.516 5.740 1.00 20.80 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? 7.537 15.588 6.125 1.00 20.36 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? 7.771 14.582 6.791 1.00 20.22 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? 8.846 17.683 6.725 1.00 21.19 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? 10.125 18.517 6.576 1.00 21.22 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? 10.198 19.590 7.648 1.00 21.44 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? 11.374 17.649 6.622 1.00 21.33 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? 6.298 15.895 5.688 1.00 20.35 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? 5.234 14.911 5.927 1.00 20.10 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? 5.527 13.540 5.303 1.00 20.06 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? 5.297 12.511 5.946 1.00 20.47 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? 4.006 15.565 5.282 1.00 20.19 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? 4.274 17.025 5.409 1.00 20.22 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? 5.753 17.154 5.148 1.00 19.94 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? 6.052 13.530 4.080 1.00 19.69 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? 6.423 12.282 3.406 1.00 19.86 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? 7.516 11.544 4.173 1.00 19.83 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? 7.522 10.314 4.218 1.00 19.36 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? 6.876 12.550 1.978 1.00 19.91 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? 8.440 12.294 4.773 1.00 20.01 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? 9.505 11.689 5.569 1.00 20.44 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? 8.942 11.047 6.832 1.00 21.25 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? 9.360 9.957 7.212 1.00 20.07 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? 10.589 12.712 5.921 1.00 20.74 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? 11.759 12.206 6.777 1.00 21.53 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? 12.426 10.978 6.179 1.00 21.32 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? 12.781 13.312 6.978 1.00 21.46 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? 7.991 11.719 7.478 1.00 21.94 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? 7.278 11.119 8.609 1.00 23.71 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? 6.628 9.788 8.211 1.00 22.99 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? 6.740 8.793 8.930 1.00 22.42 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? 6.208 12.071 9.149 1.00 25.45 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? 5.381 11.442 10.253 1.00 27.54 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? 5.929 11.224 11.348 1.00 30.10 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? 4.194 11.146 10.017 1.00 30.57 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? 5.952 9.780 7.064 1.00 23.09 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? 5.347 8.558 6.523 1.00 23.76 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? 6.396 7.483 6.267 1.00 22.98 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? 6.176 6.302 6.563 1.00 22.24 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? 4.617 8.838 5.196 1.00 24.80 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? 3.621 9.840 5.404 1.00 27.80 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? 3.958 7.592 4.641 1.00 25.38 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? 7.530 7.894 5.703 1.00 22.09 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? 8.585 6.954 5.335 1.00 21.78 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? 9.130 6.245 6.569 1.00 21.51 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? 9.300 5.027 6.569 1.00 21.56 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? 9.705 7.673 4.596 1.00 21.60 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? 9.385 7.013 7.625 1.00 21.43 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? 9.883 6.458 8.878 1.00 21.95 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? 8.878 5.440 9.413 1.00 22.74 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? 9.245 4.328 9.795 1.00 22.89 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? 10.124 7.566 9.927 1.00 21.80 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? 11.281 8.466 9.488 1.00 21.78 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? 10.428 6.969 11.294 1.00 21.84 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? 11.338 9.794 10.212 1.00 21.75 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? 7.607 5.830 9.427 1.00 23.21 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? 6.543 4.957 9.914 1.00 24.02 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? 6.442 3.662 9.114 1.00 23.78 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? 6.262 2.593 9.694 1.00 24.81 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? 5.207 5.693 9.903 1.00 24.89 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? 5.241 6.757 10.829 1.00 25.70 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? 6.563 3.762 7.792 1.00 23.11 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? 6.526 2.590 6.916 1.00 23.46 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? 7.686 1.641 7.226 1.00 23.32 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? 7.507 0.422 7.294 1.00 23.31 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? 6.555 3.003 5.426 1.00 23.62 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? 5.285 3.565 5.061 1.00 23.32 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? 6.851 1.807 4.508 1.00 23.68 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? 8.873 2.200 7.435 1.00 22.54 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? 10.058 1.374 7.659 1.00 22.78 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? 10.078 0.669 9.019 1.00 23.70 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? 10.851 -0.271 9.207 1.00 24.04 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? 11.333 2.199 7.458 1.00 22.13 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? 11.526 2.768 6.047 1.00 21.44 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? 12.767 3.643 6.013 1.00 21.58 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? 11.618 1.689 4.976 1.00 21.26 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? 9.223 1.095 9.951 1.00 24.74 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? 9.166 0.479 11.282 1.00 26.56 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? 8.726 -0.983 11.255 1.00 27.99 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? 9.112 -1.759 12.134 1.00 28.62 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? 8.235 1.265 12.216 1.00 26.99 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? 8.764 2.591 12.771 1.00 27.60 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? 7.630 3.375 13.412 1.00 28.28 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? 9.883 2.364 13.772 1.00 28.26 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? 7.912 -1.349 10.266 1.00 28.16 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? 7.458 -2.735 10.106 1.00 29.60 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? 7.620 -3.186 8.663 1.00 28.61 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? 7.202 -2.499 7.735 1.00 30.30 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? 6.003 -2.878 10.545 1.00 30.46 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? 5.747 -2.362 11.925 1.00 31.78 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? 6.169 -3.026 13.057 1.00 32.59 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? 5.139 -1.232 12.355 1.00 32.65 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? 5.820 -2.332 14.126 1.00 32.53 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? 5.194 -1.239 13.727 1.00 32.79 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? 8.207 -4.363 8.487 1.00 27.56 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? 8.655 -4.806 7.176 1.00 25.96 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 7.528 -4.939 6.145 1.00 25.85 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 6.513 -5.589 6.387 1.00 25.01 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 9.412 -6.126 7.307 1.00 25.47 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 9.933 -6.647 5.997 1.00 24.61 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? 10.818 -5.901 5.226 1.00 24.19 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 9.538 -7.887 5.522 1.00 24.21 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? 11.290 -6.379 4.019 1.00 23.71 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 10.000 -8.371 4.322 1.00 24.25 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 10.881 -7.621 3.575 1.00 23.77 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 11.339 -8.119 2.384 1.00 23.07 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? 7.743 -4.316 4.993 1.00 25.66 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 6.858 -4.402 3.841 1.00 25.85 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? 7.712 -3.921 2.668 1.00 24.86 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? 7.903 -2.721 2.495 1.00 24.58 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 5.627 -3.510 4.061 1.00 27.28 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 4.637 -3.545 2.903 1.00 28.77 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 3.421 -3.409 3.174 1.00 32.73 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 5.043 -3.676 1.730 1.00 28.53 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 8.251 -4.856 1.884 1.00 24.12 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? 9.319 -4.517 0.926 1.00 23.90 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? 8.863 -3.566 -0.182 1.00 23.73 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? 9.608 -2.663 -0.567 1.00 22.53 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? 9.966 -5.774 0.331 1.00 24.20 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 9.087 -6.464 -0.534 1.00 24.93 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? 7.647 -3.761 -0.691 1.00 23.36 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? 7.095 -2.849 -1.694 1.00 23.66 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? 6.899 -1.447 -1.120 1.00 22.54 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? 7.311 -0.470 -1.741 1.00 23.32 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? 5.766 -3.365 -2.274 1.00 24.35 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 5.978 -4.655 -2.858 1.00 25.60 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? 5.229 -2.411 -3.339 1.00 24.70 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? 6.287 -1.348 0.059 1.00 21.90 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? 6.100 -0.048 0.717 1.00 21.25 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? 7.446 0.589 1.060 1.00 20.70 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? 7.632 1.792 0.886 1.00 19.98 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? 5.255 -0.191 1.973 1.00 21.08 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? 8.379 -0.230 1.538 1.00 20.29 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? 9.701 0.256 1.946 1.00 19.89 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? 10.491 0.879 0.791 1.00 19.75 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? 11.218 1.840 0.999 1.00 19.06 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? 10.499 -0.859 2.590 1.00 19.67 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? 10.359 0.334 -0.416 1.00 20.11 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? 11.039 0.906 -1.586 1.00 20.02 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? 10.662 2.374 -1.802 1.00 19.75 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? 11.530 3.227 -2.017 1.00 18.92 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? 10.731 0.098 -2.831 1.00 20.54 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? 9.366 2.661 -1.739 1.00 19.23 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? 8.874 4.031 -1.837 1.00 19.12 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? 9.346 4.891 -0.680 1.00 19.09 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? 9.780 6.025 -0.883 1.00 19.63 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? 9.270 4.346 0.532 1.00 19.04 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? 9.748 5.040 1.726 1.00 19.03 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? 11.226 5.394 1.588 1.00 18.67 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? 11.642 6.496 1.941 1.00 18.72 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? 9.522 4.193 2.966 1.00 18.90 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? 12.011 4.452 1.073 1.00 18.61 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? 13.447 4.658 0.914 1.00 18.78 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? 13.767 5.712 -0.147 1.00 19.02 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? 14.696 6.498 0.035 1.00 19.17 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? 14.161 3.333 0.628 1.00 18.91 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? 14.195 2.403 1.846 1.00 18.70 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? 14.480 0.966 1.438 1.00 18.77 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? 15.210 2.875 2.875 1.00 18.73 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? 12.989 5.753 -1.227 1.00 19.61 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? 13.128 6.823 -2.218 1.00 19.55 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? 12.906 8.188 -1.571 1.00 19.52 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? 13.660 9.129 -1.825 1.00 19.25 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? 12.175 6.614 -3.401 1.00 19.74 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? 12.568 5.472 -4.343 1.00 19.85 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? 11.431 5.146 -5.299 1.00 20.40 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? 13.838 5.807 -5.115 1.00 20.11 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? 11.895 8.293 -0.713 1.00 19.07 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? 11.663 9.531 0.034 1.00 19.08 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? 12.820 9.826 0.992 1.00 18.98 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? 13.320 10.952 1.047 1.00 18.88 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? 10.342 9.477 0.828 1.00 19.00 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? 10.221 10.664 1.772 1.00 18.71 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? 9.158 9.430 -0.126 1.00 19.30 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? 13.230 8.811 1.747 1.00 18.57 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? 14.287 8.952 2.743 1.00 19.28 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? 15.608 9.430 2.136 1.00 19.10 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? 16.242 10.353 2.657 1.00 18.93 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? 14.503 7.617 3.459 1.00 19.72 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? 15.663 7.527 4.452 1.00 20.70 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? 15.369 8.363 5.681 1.00 21.61 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? 15.911 6.069 4.821 1.00 21.68 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? 16.009 8.804 1.033 1.00 19.20 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? 17.282 9.123 0.378 1.00 19.48 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 17.292 10.577 -0.083 1.00 19.50 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 18.272 11.296 0.123 1.00 19.05 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? 17.547 8.184 -0.821 1.00 19.74 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? 17.861 6.770 -0.319 1.00 20.28 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? 18.695 8.700 -1.686 1.00 20.12 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? 17.655 5.696 -1.365 1.00 20.44 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? 16.188 11.008 -0.686 1.00 19.42 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? 16.095 12.357 -1.229 1.00 19.72 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? 16.029 13.438 -0.157 1.00 19.73 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? 16.587 14.520 -0.339 1.00 20.60 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? 14.893 12.470 -2.156 1.00 20.05 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? 15.013 11.595 -3.392 1.00 20.01 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? 13.831 11.759 -4.310 1.00 20.78 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? 12.829 11.039 -4.192 1.00 21.72 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? 13.914 12.728 -5.205 1.00 20.38 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? 15.342 13.159 0.948 1.00 19.06 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? 15.170 14.155 2.011 1.00 19.25 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? 16.339 14.205 3.000 1.00 19.29 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? 16.362 15.064 3.881 1.00 19.70 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? 13.851 13.944 2.795 1.00 19.05 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? 13.799 12.615 3.328 1.00 19.54 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? 12.649 14.172 1.895 1.00 18.95 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? 17.296 13.289 2.866 1.00 19.33 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? 18.482 13.285 3.718 1.00 19.64 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? 19.729 13.471 2.846 1.00 19.91 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? 20.241 14.588 2.730 1.00 20.02 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? 18.567 12.005 4.579 1.00 19.46 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? 18.618 10.842 3.741 1.00 18.96 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? 17.360 11.912 5.510 1.00 19.55 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? 20.173 12.398 2.195 1.00 19.85 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? 21.411 12.410 1.406 1.00 20.13 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? 21.438 13.467 0.302 1.00 20.28 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? 22.406 14.224 0.194 1.00 19.99 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? 21.674 11.033 0.812 1.00 20.41 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? 20.382 13.533 -0.506 1.00 20.19 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? 20.373 14.446 -1.654 1.00 20.42 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? 20.309 15.903 -1.197 1.00 20.34 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? 20.929 16.771 -1.815 1.00 20.78 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? 19.231 14.126 -2.632 1.00 20.44 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? 19.244 12.711 -3.198 1.00 20.88 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? 20.362 12.446 -4.199 1.00 21.30 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? 21.335 13.228 -4.264 1.00 21.37 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? 20.269 11.437 -4.932 1.00 21.16 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? 19.578 16.160 -0.111 1.00 19.93 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? 19.534 17.494 0.504 1.00 20.01 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? 20.889 17.903 1.085 1.00 20.11 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? 21.264 19.077 1.026 1.00 20.40 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? 18.468 17.548 1.587 1.00 20.07 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? 21.613 16.943 1.651 1.00 19.73 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? 22.978 17.200 2.120 1.00 20.27 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? 23.894 17.563 0.949 1.00 20.79 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? 24.735 18.455 1.066 1.00 21.61 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? 23.528 16.003 2.875 1.00 20.00 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? 23.714 16.895 -0.186 1.00 20.97 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? 24.570 17.127 -1.355 1.00 21.54 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? 24.330 18.458 -2.063 1.00 21.76 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? 25.264 19.029 -2.631 1.00 22.23 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? 24.383 16.009 -2.380 1.00 21.38 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? 24.940 14.668 -1.951 1.00 21.40 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? 24.391 13.573 -2.843 1.00 21.87 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? 24.869 12.247 -2.461 1.00 22.29 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? 24.265 11.105 -2.790 1.00 23.09 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? 23.146 11.116 -3.500 1.00 23.55 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? 24.769 9.944 -2.397 1.00 22.57 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? 23.084 18.930 -2.061 1.00 21.74 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? 22.690 20.108 -2.833 1.00 22.39 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? 21.843 21.067 -2.007 1.00 23.35 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? 20.775 20.694 -1.515 1.00 22.36 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? 21.881 19.692 -4.061 1.00 22.55 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? 22.650 18.880 -5.058 1.00 22.68 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? 23.512 19.496 -5.954 1.00 23.11 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? 22.495 17.499 -5.120 1.00 22.92 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? 24.212 18.751 -6.890 1.00 22.80 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? 23.197 16.748 -6.051 1.00 22.92 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? 24.057 17.376 -6.938 1.00 22.89 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? 22.309 22.306 -1.868 1.00 23.94 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? 21.541 23.341 -1.171 1.00 25.18 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? 20.160 23.539 -1.803 1.00 23.98 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? 19.178 23.741 -1.092 1.00 23.31 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? 22.311 24.666 -1.159 1.00 27.22 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? 21.646 25.780 -0.353 1.00 29.82 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? 22.269 27.141 -0.642 1.00 32.16 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? 21.808 27.702 -1.983 1.00 33.95 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? 22.463 28.996 -2.335 1.00 35.75 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? 20.085 23.478 -3.131 1.00 23.84 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? 18.806 23.606 -3.827 1.00 24.23 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? 17.793 22.558 -3.342 1.00 23.11 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? 16.623 22.874 -3.123 1.00 22.68 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? 18.992 23.495 -5.344 1.00 25.33 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? 17.688 23.468 -6.116 1.00 26.44 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? 17.029 24.649 -6.458 1.00 27.25 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? 17.107 22.262 -6.491 1.00 26.83 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? 15.831 24.625 -7.154 1.00 27.65 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? 15.914 22.228 -7.192 1.00 27.57 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? 15.276 23.411 -7.518 1.00 27.63 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? 14.090 23.371 -8.216 1.00 28.63 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? 18.245 21.319 -3.165 1.00 22.33 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? 17.349 20.243 -2.728 1.00 21.90 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? 16.919 20.445 -1.267 1.00 21.94 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? 15.746 20.251 -0.937 1.00 22.05 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? 17.960 18.840 -2.975 1.00 21.62 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? 18.161 18.632 -4.485 1.00 21.63 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? 17.061 17.757 -2.389 1.00 21.52 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? 18.709 17.284 -4.908 1.00 21.35 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? 17.848 20.862 -0.406 1.00 22.21 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? 17.516 21.223 0.977 1.00 22.86 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? 16.384 22.256 1.012 1.00 23.21 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? 15.406 22.104 1.753 1.00 23.07 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? 18.750 21.775 1.705 1.00 23.46 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? 18.488 22.246 3.130 1.00 23.88 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? 19.658 22.994 3.750 1.00 24.68 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? 20.711 23.162 3.092 1.00 24.19 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? 19.515 23.425 4.911 1.00 25.22 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? 16.526 23.298 0.199 1.00 23.77 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? 15.527 24.362 0.107 1.00 24.91 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? 14.190 23.849 -0.423 1.00 24.52 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? 13.135 24.278 0.042 1.00 24.43 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? 16.044 25.493 -0.784 1.00 26.91 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? 17.230 26.237 -0.178 1.00 28.64 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? 17.973 27.152 -1.148 1.00 30.79 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? 18.723 28.022 -0.712 1.00 34.54 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? 17.787 26.960 -2.455 1.00 32.16 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? 14.235 22.936 -1.390 1.00 23.97 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? 13.014 22.332 -1.928 1.00 24.71 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? 12.235 21.578 -0.850 1.00 23.77 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? 11.007 21.653 -0.804 1.00 23.10 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? 13.333 21.401 -3.102 1.00 25.70 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? 13.737 22.130 -4.374 1.00 27.17 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? 12.587 22.900 -5.003 1.00 28.71 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? 11.630 22.305 -5.500 1.00 29.67 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? 12.676 24.231 -4.988 1.00 29.47 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? 12.948 20.867 0.019 1.00 22.86 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? 12.309 20.148 1.125 1.00 22.88 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? 11.797 21.131 2.182 1.00 23.74 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? 10.723 20.929 2.749 1.00 23.26 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? 13.252 19.097 1.756 1.00 22.36 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? 13.790 18.131 0.686 1.00 22.38 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? 12.545 18.319 2.861 1.00 22.58 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? 12.742 17.476 -0.187 1.00 22.57 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? 12.548 22.200 2.436 1.00 24.22 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? 12.096 23.246 3.361 1.00 25.14 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? 10.777 23.877 2.915 1.00 25.93 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? 9.939 24.224 3.748 1.00 26.94 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? 13.171 24.324 3.528 1.00 25.52 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? 14.343 23.868 4.375 1.00 25.65 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? 15.476 24.879 4.417 1.00 26.30 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? 15.881 25.422 3.388 1.00 26.83 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? 16.001 25.129 5.610 1.00 26.75 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? 10.599 24.012 1.604 1.00 26.63 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? 9.350 24.519 1.034 1.00 27.73 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? 8.206 23.513 1.197 1.00 26.55 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? 7.034 23.888 1.145 1.00 25.60 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? 9.544 24.863 -0.444 1.00 30.43 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? 10.485 26.038 -0.662 1.00 32.74 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? 10.715 26.372 -2.124 1.00 35.30 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? 11.467 27.336 -2.390 1.00 37.52 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? 10.149 25.685 -3.005 1.00 37.53 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? 8.564 22.244 1.396 1.00 24.58 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? 7.604 21.163 1.593 1.00 24.01 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? 7.554 20.726 3.060 1.00 23.38 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? 7.376 19.542 3.357 1.00 23.42 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? 7.991 19.972 0.705 1.00 24.04 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? 7.989 20.262 -0.790 1.00 24.79 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? 8.918 19.317 -1.546 1.00 24.98 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? 8.656 19.293 -2.983 1.00 25.31 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? 8.970 20.271 -3.835 1.00 26.18 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? 9.565 21.384 -3.415 1.00 26.17 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? 8.675 20.139 -5.123 1.00 27.05 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? 7.699 21.681 3.976 1.00 22.77 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? 7.724 21.376 5.405 1.00 22.73 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? 6.362 20.906 5.917 1.00 23.20 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? 6.300 20.118 6.855 1.00 23.15 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? 8.185 22.587 6.202 1.00 23.21 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? 5.282 21.411 5.318 1.00 23.91 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? 3.918 21.083 5.764 1.00 24.59 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? 2.994 20.609 4.631 1.00 24.89 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? 1.795 20.409 4.849 1.00 25.06 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? 3.296 22.294 6.481 1.00 25.27 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? 4.246 23.018 7.417 1.00 25.57 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? 4.719 22.408 8.577 1.00 26.21 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? 4.672 24.313 7.141 1.00 26.85 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? 5.590 23.069 9.432 1.00 26.48 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? 5.539 24.980 7.986 1.00 27.00 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? 5.996 24.358 9.130 1.00 27.11 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? 6.857 25.026 9.967 1.00 28.56 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? 3.555 20.426 3.437 1.00 25.35 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? 2.817 19.958 2.267 1.00 26.61 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? 3.787 19.286 1.308 1.00 26.34 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? 4.708 19.933 0.801 1.00 26.22 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? 2.128 21.128 1.551 1.00 28.19 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? 1.397 20.733 0.274 1.00 30.24 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? 0.698 21.915 -0.376 1.00 32.15 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? 1.642 22.844 -0.998 1.00 34.11 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? 1.313 24.027 -1.517 1.00 36.01 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? 0.055 24.457 -1.488 1.00 36.86 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? 2.251 24.794 -2.061 1.00 36.78 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? 3.581 17.995 1.055 1.00 25.43 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? 4.404 17.266 0.100 1.00 25.07 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? 4.138 17.731 -1.323 1.00 25.64 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? 3.050 18.215 -1.650 1.00 25.07 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? 4.151 15.754 0.173 1.00 24.62 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? 4.565 15.143 1.499 1.00 24.13 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? 3.922 14.155 1.909 1.00 24.17 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? 5.528 15.626 2.132 1.00 23.23 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? 5.147 17.571 -2.168 1.00 25.84 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? 5.004 17.802 -3.595 1.00 26.95 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? 6.074 16.995 -4.304 1.00 26.52 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? 7.180 16.844 -3.781 1.00 25.45 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? 5.148 19.293 -3.915 1.00 28.38 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? 4.925 19.639 -5.381 1.00 29.64 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? 5.080 21.120 -5.682 1.00 31.29 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? 5.382 21.452 -6.848 1.00 31.82 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? 4.900 21.952 -4.765 1.00 32.33 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? 5.748 16.463 -5.480 1.00 26.38 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? 6.737 15.720 -6.265 1.00 26.74 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? 7.961 16.605 -6.516 1.00 26.52 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? 7.834 17.827 -6.604 1.00 26.00 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? 6.177 15.185 -7.606 1.00 27.15 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? 5.151 14.086 -7.357 1.00 27.44 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? 5.587 16.301 -8.464 1.00 27.73 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? 9.153 15.996 -6.604 1.00 26.35 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? 10.359 16.804 -6.801 1.00 26.87 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? 10.340 17.563 -8.125 1.00 27.31 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? 9.809 17.059 -9.113 1.00 27.63 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? 11.493 15.768 -6.801 1.00 26.51 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? 10.840 14.454 -7.045 1.00 26.49 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? 9.456 14.560 -6.488 1.00 26.21 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? 10.916 18.764 -8.136 1.00 28.07 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? 11.067 19.527 -9.375 1.00 28.70 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? 11.964 18.769 -10.354 1.00 29.33 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? 12.766 17.926 -9.951 1.00 28.70 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? 11.638 20.923 -9.098 1.00 28.51 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? 12.979 20.869 -8.630 1.00 28.86 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? 11.815 19.064 -11.642 1.00 30.10 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? 12.657 18.453 -12.672 1.00 30.60 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? 14.139 18.732 -12.397 1.00 29.30 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? 14.998 17.890 -12.666 1.00 29.13 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? 12.269 18.977 -14.058 1.00 32.40 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? 10.893 18.741 -14.324 1.00 36.00 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? 14.422 19.912 -11.851 1.00 28.78 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? 15.783 20.301 -11.482 1.00 28.37 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? 16.337 19.423 -10.362 1.00 27.40 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? 17.513 19.052 -10.381 1.00 26.81 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? 15.817 21.762 -11.062 1.00 28.67 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? 15.489 19.106 -9.386 1.00 26.29 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? 15.874 18.223 -8.285 1.00 25.26 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? 16.344 16.877 -8.831 1.00 25.08 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? 17.419 16.400 -8.480 1.00 24.50 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? 14.702 18.008 -7.299 1.00 24.88 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? 14.375 19.252 -6.663 1.00 25.16 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? 15.059 16.981 -6.230 1.00 24.72 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? 15.534 16.276 -9.697 1.00 25.44 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? 15.862 14.984 -10.299 1.00 25.79 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? 17.184 15.079 -11.068 1.00 25.77 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? 18.037 14.188 -10.979 1.00 24.35 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? 14.743 14.506 -11.257 1.00 26.67 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? 13.417 14.295 -10.503 1.00 27.14 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? 15.149 13.228 -11.976 1.00 26.97 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? 13.416 13.157 -9.501 1.00 27.66 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? 17.338 16.174 -11.809 1.00 26.04 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? 18.535 16.431 -12.607 1.00 26.51 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? 19.805 16.450 -11.751 1.00 25.25 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? 20.806 15.813 -12.100 1.00 24.99 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? 18.384 17.763 -13.349 1.00 27.63 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? 19.497 18.022 -14.182 1.00 30.25 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? 19.758 17.175 -10.636 1.00 24.66 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? 20.905 17.282 -9.727 1.00 24.02 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? 21.259 15.931 -9.117 1.00 23.48 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? 22.430 15.561 -9.065 1.00 22.47 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? 20.628 18.294 -8.609 1.00 24.31 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? 20.498 19.753 -9.044 1.00 24.62 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? 19.819 20.578 -7.963 1.00 24.69 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? 21.864 20.328 -9.396 1.00 24.56 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? 20.245 15.198 -8.655 1.00 23.26 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? 20.455 13.862 -8.083 1.00 23.08 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? 21.195 12.972 -9.074 1.00 23.38 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? 22.163 12.297 -8.726 1.00 23.26 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? 19.119 13.203 -7.732 1.00 23.03 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? 18.321 13.915 -6.649 1.00 22.64 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? 16.916 13.365 -6.483 1.00 22.69 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? 16.230 13.796 -5.530 1.00 21.88 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? 16.491 12.514 -7.295 1.00 22.48 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? 20.727 12.985 -10.317 1.00 24.20 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? 21.313 12.175 -11.379 1.00 25.21 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? 22.714 12.623 -11.797 1.00 25.84 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? 23.474 11.827 -12.350 1.00 27.45 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? 20.400 12.183 -12.610 1.00 25.52 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? 19.111 11.410 -12.394 1.00 25.84 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? 19.010 10.574 -11.494 1.00 26.15 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? 18.114 11.685 -13.228 1.00 26.17 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? 23.050 13.884 -11.530 1.00 26.07 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? 24.309 14.480 -11.995 1.00 26.26 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? 25.385 14.645 -10.913 1.00 25.84 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? 26.450 15.209 -11.180 1.00 25.27 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? 24.015 15.847 -12.618 1.00 26.81 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? 23.058 15.738 -13.661 1.00 27.48 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? 25.127 14.156 -9.703 1.00 24.20 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? 26.042 14.398 -8.590 1.00 23.76 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? 27.423 13.796 -8.833 1.00 24.70 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? 28.438 14.440 -8.559 1.00 24.82 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? 25.474 13.864 -7.280 1.00 22.80 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? 26.361 14.149 -6.103 1.00 21.98 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? 26.749 15.376 -5.651 1.00 21.64 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? 26.974 13.190 -5.234 1.00 21.59 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? 27.565 15.242 -4.554 1.00 21.19 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? 27.713 13.911 -4.270 1.00 21.31 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? 26.963 11.792 -5.169 1.00 21.85 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? 28.443 13.283 -3.262 1.00 21.42 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? 27.683 11.168 -4.164 1.00 21.80 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? 28.407 11.912 -3.219 1.00 21.74 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? 27.454 12.567 -9.341 1.00 25.20 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? 28.716 11.892 -9.630 1.00 26.96 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? 29.472 12.619 -10.740 1.00 26.75 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? 30.665 12.905 -10.601 1.00 26.92 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? 28.470 10.436 -10.033 1.00 27.90 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? 29.697 9.741 -10.180 1.00 29.38 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? 28.764 12.914 -11.828 1.00 27.08 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? 29.318 13.666 -12.953 1.00 27.92 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? 29.854 15.026 -12.543 1.00 27.70 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? 30.971 15.387 -12.903 1.00 27.73 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? 29.060 15.777 -11.783 1.00 27.76 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? 29.475 17.099 -11.300 1.00 27.47 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? 30.694 17.020 -10.393 1.00 27.42 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? 31.627 17.819 -10.525 1.00 26.77 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? 28.339 17.794 -10.543 1.00 27.62 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? 27.218 18.418 -11.370 1.00 28.07 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? 26.051 18.795 -10.466 1.00 28.42 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? 27.709 19.637 -12.138 1.00 27.89 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? 30.674 16.069 -9.462 1.00 26.93 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? 31.792 15.851 -8.549 1.00 27.45 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? 33.080 15.590 -9.328 1.00 28.49 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? 34.136 16.126 -8.993 1.00 27.76 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? 31.501 14.673 -7.615 1.00 27.39 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? 30.414 14.959 -6.747 1.00 26.43 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? 32.973 14.775 -10.374 1.00 29.27 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? 34.116 14.431 -11.218 1.00 30.43 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? 34.675 15.653 -11.944 1.00 30.29 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? 35.877 15.916 -11.888 1.00 29.63 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? 33.711 13.365 -12.238 1.00 32.09 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? 34.830 12.937 -13.175 1.00 33.73 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? 34.396 11.776 -14.053 1.00 35.23 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? 35.582 11.123 -14.743 1.00 36.86 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? 35.265 9.731 -15.167 1.00 38.16 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? 33.801 16.392 -12.621 1.00 30.11 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? 34.224 17.534 -13.434 1.00 30.46 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? 34.808 18.674 -12.600 1.00 30.06 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? 35.734 19.356 -13.042 1.00 30.03 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? 33.064 18.045 -14.293 1.00 31.33 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? 32.594 17.058 -15.347 1.00 32.27 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? 33.722 16.601 -16.253 1.00 33.48 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? 34.468 17.425 -16.789 1.00 34.32 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? 33.865 15.288 -16.418 1.00 34.17 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? 34.271 18.874 -11.400 1.00 29.00 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? 34.801 19.875 -10.476 1.00 28.35 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? 36.224 19.506 -10.043 1.00 28.62 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? 37.085 20.373 -9.945 1.00 28.72 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? 33.881 20.054 -9.245 1.00 27.57 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? 32.565 20.709 -9.672 1.00 27.28 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? 34.550 20.917 -8.180 1.00 27.47 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? 31.449 20.592 -8.651 1.00 26.65 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? 36.468 18.223 -9.792 1.00 28.81 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? 37.817 17.760 -9.472 1.00 29.31 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? 38.755 17.835 -10.683 1.00 30.31 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? 39.916 18.213 -10.535 1.00 30.83 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? 37.789 16.345 -8.892 1.00 29.08 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? 37.341 16.316 -7.442 1.00 28.87 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? 36.933 14.932 -6.978 1.00 28.55 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? 37.770 14.132 -6.559 1.00 28.80 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? 35.637 14.647 -7.034 1.00 28.01 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? 38.250 17.498 -11.869 1.00 31.22 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? 39.044 17.596 -13.103 1.00 32.55 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? 39.356 19.045 -13.474 1.00 33.15 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? 40.366 19.319 -14.124 1.00 32.66 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? 38.325 16.928 -14.279 1.00 33.70 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? 38.153 15.408 -14.262 1.00 34.52 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? 37.364 14.969 -15.485 1.00 35.01 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? 39.492 14.688 -14.210 1.00 35.42 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? 38.481 19.963 -13.069 1.00 33.01 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? 38.659 21.390 -13.339 1.00 33.63 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? 39.922 21.947 -12.682 1.00 34.29 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? 40.515 22.905 -13.187 1.00 34.10 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? 37.434 22.167 -12.881 1.00 33.31 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? 40.320 21.360 -11.554 1.00 35.35 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? 41.628 21.637 -10.979 1.00 36.62 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? 42.673 20.953 -11.858 1.00 36.03 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? 42.706 19.725 -11.957 1.00 36.36 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? 41.718 21.137 -9.533 1.00 38.35 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? 43.050 21.435 -8.854 1.00 39.89 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? 43.513 22.866 -9.067 1.00 41.66 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? 44.495 23.115 -9.772 1.00 43.05 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? 42.800 23.816 -8.470 1.00 42.71 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? 43.513 21.756 -12.504 1.00 35.60 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? 44.430 21.269 -13.534 1.00 34.36 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? 43.957 21.637 -14.931 1.00 33.32 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? 44.641 21.361 -15.917 1.00 33.92 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? 42.780 22.253 -15.018 1.00 31.70 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? 42.215 22.679 -16.292 1.00 30.43 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? 41.627 24.093 -16.200 1.00 28.75 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? 40.702 24.434 -16.932 1.00 28.36 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? 41.156 21.670 -16.749 1.00 31.65 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? 40.846 21.764 -18.234 1.00 32.58 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? 41.747 21.911 -19.066 1.00 33.96 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? 39.567 21.659 -18.577 1.00 33.46 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? 42.189 24.904 -15.301 1.00 28.03 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? 41.822 26.316 -15.130 1.00 27.81 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? 40.351 26.546 -14.786 1.00 28.53 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? 39.753 27.533 -15.211 1.00 27.86 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? 42.208 27.121 -16.376 1.00 27.77 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? 43.705 27.147 -16.603 1.00 26.51 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? 44.463 27.523 -15.711 1.00 26.60 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? 44.137 26.757 -17.794 1.00 26.85 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? 39.779 25.635 -14.007 1.00 28.66 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? 38.373 25.739 -13.621 1.00 29.30 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? 37.390 25.265 -14.679 1.00 30.02 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? 36.183 25.318 -14.456 1.00 29.72 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? 37.897 24.784 -15.816 1.00 30.56 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? 37.059 24.356 -16.937 1.00 31.31 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? 36.782 22.856 -16.848 1.00 31.89 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? 37.693 22.067 -16.603 1.00 32.33 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? 37.736 24.678 -18.291 1.00 31.07 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? 36.911 24.163 -19.464 1.00 31.37 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? 37.968 26.175 -18.427 1.00 31.55 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? 35.524 22.469 -17.049 1.00 33.07 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? 35.138 21.055 -17.085 1.00 33.14 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? 35.748 20.384 -18.315 1.00 34.45 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? 35.699 20.943 -19.410 1.00 34.94 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? 33.610 20.915 -17.169 1.00 32.81 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? 32.872 21.186 -15.875 1.00 32.14 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? 33.486 21.792 -14.781 1.00 31.67 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? 31.530 20.840 -15.770 1.00 31.73 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? 32.779 22.024 -13.610 1.00 31.55 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? 30.819 21.077 -14.606 1.00 31.57 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? 31.443 21.669 -13.524 1.00 31.70 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? 36.308 19.189 -18.139 1.00 35.31 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? 36.769 18.386 -19.278 1.00 36.53 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? 35.581 17.975 -20.155 1.00 37.16 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? 35.694 17.912 -21.382 1.00 36.49 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? 37.517 17.134 -18.803 1.00 37.00 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? 38.812 17.408 -18.051 1.00 37.35 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? 39.927 17.870 -18.976 1.00 37.66 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? 41.163 18.125 -18.239 1.00 37.91 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? 42.329 18.441 -18.798 1.00 37.42 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? 42.445 18.540 -20.121 1.00 37.03 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? 43.392 18.648 -18.027 1.00 37.21 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? 34.445 17.710 -19.508 1.00 37.10 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? 33.200 17.348 -20.184 1.00 37.55 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? 32.036 18.127 -19.561 1.00 37.62 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? 31.834 18.057 -18.351 1.00 36.26 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? 32.913 15.841 -20.046 1.00 37.82 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? 34.060 15.090 -20.462 1.00 38.47 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? 31.714 15.434 -20.894 1.00 38.11 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? 31.268 18.874 -20.379 1.00 38.10 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? 30.153 19.644 -19.815 1.00 38.30 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? 29.055 18.770 -19.209 1.00 37.81 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? 28.819 17.657 -19.680 1.00 38.99 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? 29.609 20.420 -21.021 1.00 38.86 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? 30.738 20.465 -21.993 1.00 39.14 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? 31.466 19.170 -21.809 1.00 38.92 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? 28.407 19.282 -18.165 1.00 37.18 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? 27.304 18.593 -17.500 1.00 36.30 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? 26.001 19.292 -17.867 1.00 36.06 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? 25.866 20.497 -17.667 1.00 35.08 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? 27.484 18.608 -15.966 1.00 36.35 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? 28.626 17.820 -15.604 1.00 36.32 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? 26.246 18.048 -15.254 1.00 35.81 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? 25.044 18.540 -18.406 1.00 37.22 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? 23.742 19.098 -18.766 1.00 37.46 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? 22.760 18.942 -17.600 1.00 36.94 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? 22.575 17.840 -17.079 1.00 36.37 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? 23.170 18.437 -20.038 1.00 38.39 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? 21.794 19.000 -20.368 1.00 39.31 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? 24.115 18.648 -21.213 1.00 38.89 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? 22.137 20.055 -17.208 1.00 36.97 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? 21.160 20.082 -16.119 1.00 36.68 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? 19.862 20.769 -16.534 1.00 38.21 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? 19.843 21.574 -17.467 1.00 38.31 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? 21.716 20.849 -14.920 1.00 35.86 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? 22.966 20.356 -14.196 1.00 35.36 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? 23.329 21.374 -13.131 1.00 35.43 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? 22.763 18.983 -13.576 1.00 35.04 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? 18.785 20.454 -15.816 1.00 39.27 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? 17.533 21.204 -15.906 1.00 40.41 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? 17.540 22.250 -14.796 1.00 41.92 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? 17.812 21.924 -13.639 1.00 40.00 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? 16.305 20.288 -15.728 1.00 40.53 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? 15.013 21.094 -15.798 1.00 40.69 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? 16.301 19.191 -16.781 1.00 40.47 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? 17.239 23.502 -15.138 1.00 44.11 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? 17.263 24.585 -14.147 1.00 46.52 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? 15.918 24.736 -13.426 1.00 48.12 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? 14.944 24.054 -13.756 1.00 47.28 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? 17.718 25.915 -14.782 1.00 47.40 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? 16.713 26.491 -15.778 1.00 48.23 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? 15.615 25.922 -15.960 1.00 48.48 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? 17.034 27.535 -16.386 1.00 49.68 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? 15.879 25.642 -12.449 1.00 50.66 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? 14.670 25.916 -11.657 1.00 53.07 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? 13.448 26.309 -12.499 1.00 54.64 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? 12.318 26.296 -12.006 1.00 55.76 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? 14.958 27.029 -10.642 1.00 53.28 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? 15.256 28.253 -11.296 1.00 53.77 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? 13.688 26.651 -13.763 1.00 56.55 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? 12.651 27.118 -14.678 1.00 57.68 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? 12.087 25.993 -15.556 1.00 57.35 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? 11.131 26.212 -16.302 1.00 58.08 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? 13.234 28.215 -15.580 1.00 58.68 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? 12.372 29.458 -15.694 1.00 59.27 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? 12.537 30.336 -14.464 1.00 59.81 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? 11.592 31.523 -14.493 1.00 60.24 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? 11.514 32.192 -13.166 1.00 60.49 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? 12.682 24.803 -15.474 1.00 56.44 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? 12.314 23.681 -16.339 1.00 55.70 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? 13.089 23.647 -17.646 1.00 55.75 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? 12.831 22.797 -18.500 1.00 56.03 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? 14.048 24.561 -17.795 1.00 56.52 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? 14.841 24.680 -19.020 1.00 56.99 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? 16.207 24.014 -18.876 1.00 56.38 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? 16.822 24.060 -17.809 1.00 55.32 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? 15.012 26.153 -19.395 1.00 57.79 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? 13.705 26.803 -19.814 1.00 58.01 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? 13.001 26.292 -20.686 1.00 58.41 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? 13.375 27.936 -19.199 1.00 58.83 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? 16.677 23.408 -19.964 1.00 56.00 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? 17.900 22.602 -19.949 1.00 55.18 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? 19.148 23.462 -20.203 1.00 53.73 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? 19.403 23.887 -21.331 1.00 53.55 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? 17.769 21.440 -20.953 1.00 55.58 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? 19.062 20.838 -21.497 1.00 56.27 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? 19.238 21.167 -22.974 1.00 56.60 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? 20.553 20.784 -23.490 1.00 56.94 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? 21.521 21.626 -23.862 1.00 56.79 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? 21.366 22.948 -23.793 1.00 55.90 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? 22.667 21.133 -24.316 1.00 56.58 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? 19.909 23.713 -19.136 1.00 51.67 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? 21.168 24.470 -19.214 1.00 50.16 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? 22.379 23.540 -19.313 1.00 48.22 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? 22.267 22.332 -19.096 1.00 47.51 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? 21.359 25.421 -18.006 1.00 50.37 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? 20.240 26.451 -17.954 1.00 51.21 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? 21.449 24.658 -16.687 1.00 50.28 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? 23.533 24.119 -19.639 1.00 46.33 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? 24.779 23.366 -19.761 1.00 44.51 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? 25.857 23.973 -18.863 1.00 41.22 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? 26.103 25.176 -18.910 1.00 39.82 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? 25.247 23.345 -21.217 1.00 46.31 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? 26.275 22.266 -21.506 1.00 47.95 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? 26.345 21.897 -22.976 1.00 49.33 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? 25.804 20.871 -23.395 1.00 51.23 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? 27.008 22.732 -23.768 1.00 50.01 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? 26.489 23.130 -18.048 1.00 38.33 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? 27.475 23.572 -17.060 1.00 36.27 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? 28.877 23.253 -17.577 1.00 35.65 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? 29.207 22.088 -17.791 1.00 35.78 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? 27.256 22.874 -15.699 1.00 35.53 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? 25.770 22.893 -15.302 1.00 34.98 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? 28.111 23.515 -14.615 1.00 35.10 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? 25.147 24.271 -15.213 1.00 34.86 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? 29.695 24.287 -17.771 1.00 35.25 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? 31.002 24.130 -18.422 1.00 34.81 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? 32.221 24.442 -17.542 1.00 34.14 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? 33.338 24.067 -17.897 1.00 34.78 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? 31.084 24.987 -19.700 1.00 35.28 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? 30.892 26.369 -19.375 1.00 35.65 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? 30.024 24.548 -20.704 1.00 35.79 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? 32.014 25.131 -16.429 1.00 32.73 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? 33.098 25.550 -15.557 1.00 32.75 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? 32.692 25.883 -14.116 1.00 31.65 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? 31.548 25.954 -13.840 1.00 31.93 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? 33.886 26.707 -16.211 1.00 33.43 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? 33.075 27.971 -16.366 1.00 34.11 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? 32.889 28.690 -15.437 1.00 34.72 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? 32.606 28.226 -17.543 1.00 34.90 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? 33.647 26.071 -13.222 1.00 30.50 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? 33.399 26.301 -11.795 1.00 30.50 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? 32.755 27.642 -11.427 1.00 30.48 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? 32.396 27.841 -10.265 1.00 29.76 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? 34.688 26.119 -10.955 1.00 30.44 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? 35.189 24.684 -11.059 1.00 29.99 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? 35.776 27.111 -11.366 1.00 30.48 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? 32.603 28.554 -12.388 1.00 31.10 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? 31.941 29.841 -12.113 1.00 31.89 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? 30.418 29.702 -12.082 1.00 32.25 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? 29.722 30.619 -11.654 1.00 32.31 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? 32.311 30.947 -13.133 1.00 32.80 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? 31.726 30.662 -14.412 1.00 34.22 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? 33.825 31.088 -13.271 1.00 33.22 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? 29.910 28.559 -12.539 1.00 32.14 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? 28.476 28.294 -12.566 1.00 32.38 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? 27.879 28.287 -11.158 1.00 31.24 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? 28.530 27.870 -10.200 1.00 29.46 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? 28.208 26.953 -13.250 1.00 33.52 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? 26.850 26.572 -13.129 1.00 35.41 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? 26.636 28.751 -11.043 1.00 31.36 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? 25.935 28.781 -9.756 1.00 32.05 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? 25.845 27.412 -9.080 1.00 29.62 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? 25.874 27.321 -7.855 1.00 29.01 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? 24.523 29.372 -9.913 1.00 34.06 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? 24.494 30.883 -9.748 1.00 36.56 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? 23.981 31.602 -10.607 1.00 39.96 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? 25.036 31.371 -8.635 1.00 38.33 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? 25.750 26.354 -9.881 1.00 29.20 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? 25.674 24.990 -9.343 1.00 27.95 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? 26.925 24.671 -8.518 1.00 27.29 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? 26.843 23.985 -7.497 1.00 25.70 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? 25.488 23.925 -10.452 1.00 28.71 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? 25.237 22.552 -9.842 1.00 28.33 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? 24.325 24.285 -11.364 1.00 29.24 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? 28.075 25.194 -8.947 1.00 26.81 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? 29.347 24.946 -8.263 1.00 26.45 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? 29.594 25.936 -7.122 1.00 26.51 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? 30.052 25.544 -6.049 1.00 26.88 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? 30.545 24.988 -9.244 1.00 26.69 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? 31.830 24.604 -8.525 1.00 26.90 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? 30.306 24.050 -10.418 1.00 26.70 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? 29.289 27.211 -7.349 1.00 26.52 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? 29.584 28.247 -6.360 1.00 26.88 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? 28.591 28.289 -5.200 1.00 26.62 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? 28.963 28.694 -4.098 1.00 27.61 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? 29.661 29.656 -6.995 1.00 27.13 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? 28.398 30.007 -7.578 1.00 27.23 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? 30.745 29.702 -8.063 1.00 27.57 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? 27.353 27.876 -5.450 0.50 25.53 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? 26.323 27.874 -4.419 0.50 25.33 ? 235 SER A CA 1 ATOM 1818 C C A SER A 1 235 ? 25.433 26.728 -3.962 0.50 25.47 ? 235 SER A C 1 ATOM 1819 C C B SER A 1 235 ? 25.120 26.892 -4.294 0.50 25.46 ? 235 SER A C 1 ATOM 1820 O O A SER A 1 235 ? 25.484 26.502 -2.793 0.50 25.71 ? 235 SER A O 1 ATOM 1821 O O B SER A 1 235 ? 23.942 27.196 -4.305 0.50 25.47 ? 235 SER A O 1 ATOM 1822 C CB . SER A 1 235 ? 25.484 29.151 -4.495 0.50 25.42 ? 235 SER A CB 1 ATOM 1823 O OG . SER A 1 235 ? 26.068 30.092 -5.379 0.50 26.18 ? 235 SER A OG 1 ATOM 1824 N N . ASN A 1 236 ? 25.523 25.783 -4.831 1.00 25.07 ? 236 ASN A N 1 ATOM 1825 C CA . ASN A 1 236 ? 24.556 24.684 -4.721 1.00 24.90 ? 236 ASN A CA 1 ATOM 1826 C C . ASN A 1 236 ? 25.179 23.418 -4.142 1.00 24.23 ? 236 ASN A C 1 ATOM 1827 O O . ASN A 1 236 ? 24.863 23.035 -3.014 1.00 23.88 ? 236 ASN A O 1 ATOM 1828 C CB . ASN A 1 236 ? 23.924 24.433 -6.093 1.00 25.02 ? 236 ASN A CB 1 ATOM 1829 C CG . ASN A 1 236 ? 22.690 23.549 -6.035 1.00 25.13 ? 236 ASN A CG 1 ATOM 1830 O OD1 . ASN A 1 236 ? 22.403 22.906 -5.026 1.00 25.07 ? 236 ASN A OD1 1 ATOM 1831 N ND2 . ASN A 1 236 ? 21.960 23.506 -7.138 1.00 25.37 ? 236 ASN A ND2 1 ATOM 1832 N N . ILE A 1 237 ? 26.073 22.782 -4.897 1.00 23.97 ? 237 ILE A N 1 ATOM 1833 C CA . ILE A 1 237 ? 26.686 21.525 -4.465 1.00 23.45 ? 237 ILE A CA 1 ATOM 1834 C C . ILE A 1 237 ? 27.476 21.724 -3.169 1.00 23.83 ? 237 ILE A C 1 ATOM 1835 O O . ILE A 1 237 ? 28.200 22.706 -3.033 1.00 24.37 ? 237 ILE A O 1 ATOM 1836 C CB . ILE A 1 237 ? 27.572 20.904 -5.577 1.00 23.04 ? 237 ILE A CB 1 ATOM 1837 C CG1 . ILE A 1 237 ? 27.905 19.448 -5.239 1.00 22.74 ? 237 ILE A CG1 1 ATOM 1838 C CG2 . ILE A 1 237 ? 28.852 21.709 -5.800 1.00 22.86 ? 237 ILE A CG2 1 ATOM 1839 C CD1 . ILE A 1 237 ? 28.395 18.648 -6.425 1.00 23.21 ? 237 ILE A CD1 1 ATOM 1840 N N . GLN A 1 238 ? 27.304 20.822 -2.216 1.00 23.49 ? 238 GLN A N 1 ATOM 1841 C CA . GLN A 1 238 ? 27.920 20.959 -0.891 1.00 24.07 ? 238 GLN A CA 1 ATOM 1842 C C . GLN A 1 238 ? 28.922 19.861 -0.542 1.00 23.42 ? 238 GLN A C 1 ATOM 1843 O O . GLN A 1 238 ? 29.656 19.985 0.440 1.00 23.50 ? 238 GLN A O 1 ATOM 1844 C CB . GLN A 1 238 ? 26.829 20.993 0.181 1.00 24.57 ? 238 GLN A CB 1 ATOM 1845 C CG . GLN A 1 238 ? 25.818 22.112 -0.007 1.00 25.39 ? 238 GLN A CG 1 ATOM 1846 C CD . GLN A 1 238 ? 26.423 23.488 0.214 1.00 26.57 ? 238 GLN A CD 1 ATOM 1847 O OE1 . GLN A 1 238 ? 27.046 23.739 1.247 1.00 28.42 ? 238 GLN A OE1 1 ATOM 1848 N NE2 . GLN A 1 238 ? 26.238 24.390 -0.752 1.00 27.08 ? 238 GLN A NE2 1 ATOM 1849 N N . LEU A 1 239 ? 28.929 18.784 -1.324 1.00 23.04 ? 239 LEU A N 1 ATOM 1850 C CA . LEU A 1 239 ? 29.814 17.646 -1.094 1.00 23.30 ? 239 LEU A CA 1 ATOM 1851 C C . LEU A 1 239 ? 30.238 17.068 -2.442 1.00 23.65 ? 239 LEU A C 1 ATOM 1852 O O . LEU A 1 239 ? 29.433 17.006 -3.379 1.00 23.10 ? 239 LEU A O 1 ATOM 1853 C CB . LEU A 1 239 ? 29.102 16.564 -0.274 1.00 22.91 ? 239 LEU A CB 1 ATOM 1854 C CG . LEU A 1 239 ? 28.411 16.954 1.039 1.00 23.07 ? 239 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 239 ? 27.391 15.897 1.434 1.00 23.11 ? 239 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 239 ? 29.426 17.156 2.155 1.00 23.15 ? 239 LEU A CD2 1 ATOM 1857 N N . LEU A 1 240 ? 31.501 16.652 -2.537 1.00 24.40 ? 240 LEU A N 1 ATOM 1858 C CA . LEU A 1 240 ? 32.029 16.039 -3.753 1.00 25.29 ? 240 LEU A CA 1 ATOM 1859 C C . LEU A 1 240 ? 32.365 14.567 -3.533 1.00 25.54 ? 240 LEU A C 1 ATOM 1860 O O . LEU A 1 240 ? 33.091 14.215 -2.600 1.00 26.48 ? 240 LEU A O 1 ATOM 1861 C CB . LEU A 1 240 ? 33.288 16.773 -4.230 1.00 25.55 ? 240 LEU A CB 1 ATOM 1862 C CG . LEU A 1 240 ? 33.162 18.281 -4.443 1.00 25.60 ? 240 LEU A CG 1 ATOM 1863 C CD1 . LEU A 1 240 ? 34.522 18.876 -4.784 1.00 26.08 ? 240 LEU A CD1 1 ATOM 1864 C CD2 . LEU A 1 240 ? 32.141 18.617 -5.518 1.00 25.80 ? 240 LEU A CD2 1 ATOM 1865 N N . LEU A 1 241 ? 31.812 13.716 -4.391 1.00 26.51 ? 241 LEU A N 1 ATOM 1866 C CA . LEU A 1 241 ? 32.208 12.320 -4.468 1.00 27.10 ? 241 LEU A CA 1 ATOM 1867 C C . LEU A 1 241 ? 33.629 12.272 -5.015 1.00 28.21 ? 241 LEU A C 1 ATOM 1868 O O . LEU A 1 241 ? 33.901 12.843 -6.070 1.00 28.23 ? 241 LEU A O 1 ATOM 1869 C CB . LEU A 1 241 ? 31.270 11.553 -5.403 1.00 26.85 ? 241 LEU A CB 1 ATOM 1870 C CG . LEU A 1 241 ? 31.470 10.039 -5.511 1.00 26.84 ? 241 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 241 ? 31.242 9.358 -4.169 1.00 27.27 ? 241 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 241 ? 30.544 9.466 -6.571 1.00 27.27 ? 241 LEU A CD2 1 ATOM 1873 N N . ASN A 1 242 ? 34.524 11.608 -4.290 1.00 29.85 ? 242 ASN A N 1 ATOM 1874 C CA . ASN A 1 242 ? 35.927 11.498 -4.694 1.00 30.69 ? 242 ASN A CA 1 ATOM 1875 C C . ASN A 1 242 ? 36.048 10.752 -6.023 1.00 32.31 ? 242 ASN A C 1 ATOM 1876 O O . ASN A 1 242 ? 35.376 9.742 -6.227 1.00 31.86 ? 242 ASN A O 1 ATOM 1877 C CB . ASN A 1 242 ? 36.730 10.778 -3.602 1.00 30.79 ? 242 ASN A CB 1 ATOM 1878 C CG . ASN A 1 242 ? 38.218 11.070 -3.678 1.00 30.92 ? 242 ASN A CG 1 ATOM 1879 O OD1 . ASN A 1 242 ? 38.881 10.687 -4.640 1.00 31.61 ? 242 ASN A OD1 1 ATOM 1880 N ND2 . ASN A 1 242 ? 38.751 11.746 -2.661 1.00 30.80 ? 242 ASN A ND2 1 ATOM 1881 N N . THR A 1 243 ? 36.896 11.250 -6.926 1.00 34.37 ? 243 THR A N 1 ATOM 1882 C CA . THR A 1 243 ? 37.098 10.604 -8.232 1.00 36.07 ? 243 THR A CA 1 ATOM 1883 C C . THR A 1 243 ? 37.653 9.182 -8.124 1.00 37.59 ? 243 THR A C 1 ATOM 1884 O O . THR A 1 243 ? 37.490 8.389 -9.051 1.00 37.57 ? 243 THR A O 1 ATOM 1885 C CB . THR A 1 243 ? 38.029 11.417 -9.160 1.00 36.87 ? 243 THR A CB 1 ATOM 1886 O OG1 . THR A 1 243 ? 39.169 11.879 -8.422 1.00 37.01 ? 243 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 243 ? 37.289 12.599 -9.752 1.00 37.32 ? 243 THR A CG2 1 ATOM 1888 N N . LYS A 1 244 ? 38.311 8.863 -7.008 1.00 39.72 ? 244 LYS A N 1 ATOM 1889 C CA . LYS A 1 244 ? 38.723 7.481 -6.727 1.00 42.15 ? 244 LYS A CA 1 ATOM 1890 C C . LYS A 1 244 ? 37.532 6.514 -6.769 1.00 43.59 ? 244 LYS A C 1 ATOM 1891 O O . LYS A 1 244 ? 37.670 5.371 -7.209 1.00 43.96 ? 244 LYS A O 1 ATOM 1892 C CB . LYS A 1 244 ? 39.425 7.368 -5.364 1.00 43.25 ? 244 LYS A CB 1 ATOM 1893 C CG . LYS A 1 244 ? 40.947 7.465 -5.405 1.00 44.73 ? 244 LYS A CG 1 ATOM 1894 C CD . LYS A 1 244 ? 41.454 8.886 -5.208 1.00 45.62 ? 244 LYS A CD 1 ATOM 1895 C CE . LYS A 1 244 ? 42.976 8.944 -5.161 1.00 46.47 ? 244 LYS A CE 1 ATOM 1896 N NZ . LYS A 1 244 ? 43.559 8.318 -3.938 1.00 47.17 ? 244 LYS A NZ 1 ATOM 1897 N N . ASN A 1 245 ? 36.370 6.984 -6.315 1.00 43.66 ? 245 ASN A N 1 ATOM 1898 C CA . ASN A 1 245 ? 35.153 6.170 -6.270 1.00 44.50 ? 245 ASN A CA 1 ATOM 1899 C C . ASN A 1 245 ? 34.229 6.346 -7.486 1.00 44.56 ? 245 ASN A C 1 ATOM 1900 O O . ASN A 1 245 ? 33.069 5.930 -7.451 1.00 45.31 ? 245 ASN A O 1 ATOM 1901 C CB . ASN A 1 245 ? 34.387 6.469 -4.975 1.00 44.44 ? 245 ASN A CB 1 ATOM 1902 C CG . ASN A 1 245 ? 35.184 6.114 -3.732 1.00 44.66 ? 245 ASN A CG 1 ATOM 1903 O OD1 . ASN A 1 245 ? 35.709 5.006 -3.619 1.00 45.43 ? 245 ASN A OD1 1 ATOM 1904 N ND2 . ASN A 1 245 ? 35.273 7.047 -2.790 1.00 44.16 ? 245 ASN A ND2 1 ATOM 1905 N N . ILE A 1 246 ? 34.745 6.948 -8.559 1.00 44.44 ? 246 ILE A N 1 ATOM 1906 C CA . ILE A 1 246 ? 33.983 7.140 -9.797 1.00 44.68 ? 246 ILE A CA 1 ATOM 1907 C C . ILE A 1 246 ? 34.657 6.377 -10.935 1.00 45.47 ? 246 ILE A C 1 ATOM 1908 O O . ILE A 1 246 ? 33.994 5.686 -11.710 1.00 46.43 ? 246 ILE A O 1 ATOM 1909 C CB . ILE A 1 246 ? 33.869 8.637 -10.173 1.00 44.09 ? 246 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 246 ? 33.252 9.434 -9.015 1.00 43.55 ? 246 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 246 ? 33.033 8.813 -11.436 1.00 43.99 ? 246 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 246 ? 33.205 10.934 -9.232 1.00 43.06 ? 246 ILE A CD1 1 HETATM 1913 C C1 . NAG B 2 . ? 31.697 29.420 -17.405 1.00 43.70 ? 801 NAG A C1 1 HETATM 1914 C C2 . NAG B 2 . ? 31.722 29.908 -18.851 1.00 52.09 ? 801 NAG A C2 1 HETATM 1915 C C3 . NAG B 2 . ? 30.752 31.061 -19.098 1.00 53.76 ? 801 NAG A C3 1 HETATM 1916 C C4 . NAG B 2 . ? 29.407 30.859 -18.405 1.00 52.82 ? 801 NAG A C4 1 HETATM 1917 C C5 . NAG B 2 . ? 29.587 30.371 -16.970 1.00 51.30 ? 801 NAG A C5 1 HETATM 1918 C C6 . NAG B 2 . ? 28.248 30.075 -16.299 1.00 51.65 ? 801 NAG A C6 1 HETATM 1919 C C7 . NAG B 2 . ? 33.844 29.663 -20.069 1.00 55.32 ? 801 NAG A C7 1 HETATM 1920 C C8 . NAG B 2 . ? 35.214 30.227 -20.307 1.00 59.08 ? 801 NAG A C8 1 HETATM 1921 N N2 . NAG B 2 . ? 33.075 30.321 -19.198 1.00 50.02 ? 801 NAG A N2 1 HETATM 1922 O O3 . NAG B 2 . ? 30.529 31.196 -20.487 1.00 55.12 ? 801 NAG A O3 1 HETATM 1923 O O4 . NAG B 2 . ? 28.704 32.081 -18.411 1.00 55.25 ? 801 NAG A O4 1 HETATM 1924 O O5 . NAG B 2 . ? 30.368 29.195 -16.981 1.00 47.65 ? 801 NAG A O5 1 HETATM 1925 O O6 . NAG B 2 . ? 27.689 28.898 -16.832 1.00 52.45 ? 801 NAG A O6 1 HETATM 1926 O O7 . NAG B 2 . ? 33.494 28.644 -20.665 1.00 60.07 ? 801 NAG A O7 1 HETATM 1927 C C1 . GOL C 3 . ? 30.805 26.845 -1.156 1.00 43.61 ? 802 GOL A C1 1 HETATM 1928 O O1 . GOL C 3 . ? 30.734 27.466 0.134 1.00 44.83 ? 802 GOL A O1 1 HETATM 1929 C C2 . GOL C 3 . ? 29.415 26.416 -1.610 1.00 42.48 ? 802 GOL A C2 1 HETATM 1930 O O2 . GOL C 3 . ? 28.687 25.891 -0.496 1.00 44.11 ? 802 GOL A O2 1 HETATM 1931 C C3 . GOL C 3 . ? 29.556 25.350 -2.695 1.00 41.60 ? 802 GOL A C3 1 HETATM 1932 O O3 . GOL C 3 . ? 28.478 25.371 -3.647 1.00 38.37 ? 802 GOL A O3 1 HETATM 1933 C C1 . GOL D 3 . ? 19.339 -5.650 -7.275 1.00 47.70 ? 803 GOL A C1 1 HETATM 1934 O O1 . GOL D 3 . ? 18.106 -4.934 -7.143 1.00 46.07 ? 803 GOL A O1 1 HETATM 1935 C C2 . GOL D 3 . ? 19.502 -6.612 -6.102 1.00 48.54 ? 803 GOL A C2 1 HETATM 1936 O O2 . GOL D 3 . ? 20.879 -6.995 -5.976 1.00 49.02 ? 803 GOL A O2 1 HETATM 1937 C C3 . GOL D 3 . ? 18.620 -7.845 -6.312 1.00 48.83 ? 803 GOL A C3 1 HETATM 1938 O O3 . GOL D 3 . ? 17.882 -8.184 -5.126 1.00 48.99 ? 803 GOL A O3 1 HETATM 1939 O "O5'" . CTN E 4 . ? 20.772 5.596 -8.308 0.80 44.53 ? 804 CTN A "O5'" 1 HETATM 1940 C "C5'" . CTN E 4 . ? 21.909 5.722 -7.449 0.80 45.35 ? 804 CTN A "C5'" 1 HETATM 1941 C "C4'" . CTN E 4 . ? 21.596 6.694 -6.315 0.80 45.72 ? 804 CTN A "C4'" 1 HETATM 1942 O "O4'" . CTN E 4 . ? 20.795 6.074 -5.301 0.80 45.89 ? 804 CTN A "O4'" 1 HETATM 1943 C "C1'" . CTN E 4 . ? 21.295 6.388 -3.995 0.80 45.51 ? 804 CTN A "C1'" 1 HETATM 1944 N N1 . CTN E 4 . ? 21.774 5.180 -3.308 0.80 45.07 ? 804 CTN A N1 1 HETATM 1945 C C6 . CTN E 4 . ? 22.394 4.208 -4.002 0.80 44.78 ? 804 CTN A C6 1 HETATM 1946 C C5 . CTN E 4 . ? 22.850 3.067 -3.355 0.80 44.41 ? 804 CTN A C5 1 HETATM 1947 C C4 . CTN E 4 . ? 22.665 2.943 -1.982 0.80 43.98 ? 804 CTN A C4 1 HETATM 1948 N N3 . CTN E 4 . ? 22.048 3.921 -1.284 0.80 44.21 ? 804 CTN A N3 1 HETATM 1949 C C2 . CTN E 4 . ? 21.601 5.034 -1.907 0.80 44.39 ? 804 CTN A C2 1 HETATM 1950 O O2 . CTN E 4 . ? 21.039 5.917 -1.226 0.80 43.28 ? 804 CTN A O2 1 HETATM 1951 N N4 . CTN E 4 . ? 23.101 1.843 -1.337 0.80 43.45 ? 804 CTN A N4 1 HETATM 1952 C "C2'" . CTN E 4 . ? 22.450 7.361 -4.173 0.80 45.90 ? 804 CTN A "C2'" 1 HETATM 1953 O "O2'" . CTN E 4 . ? 22.025 8.695 -3.872 0.80 46.00 ? 804 CTN A "O2'" 1 HETATM 1954 C "C3'" . CTN E 4 . ? 22.853 7.206 -5.627 0.80 45.92 ? 804 CTN A "C3'" 1 HETATM 1955 O "O3'" . CTN E 4 . ? 23.303 8.438 -6.199 0.80 45.93 ? 804 CTN A "O3'" 1 HETATM 1956 O O . HOH F 5 . ? 30.373 -0.444 2.864 1.00 31.17 ? 901 HOH A O 1 HETATM 1957 O O . HOH F 5 . ? 22.043 10.580 -6.753 1.00 33.16 ? 902 HOH A O 1 HETATM 1958 O O . HOH F 5 . ? 25.932 27.780 -15.343 1.00 56.89 ? 903 HOH A O 1 HETATM 1959 O O . HOH F 5 . ? 34.329 9.665 -1.882 1.00 28.39 ? 904 HOH A O 1 HETATM 1960 O O . HOH F 5 . ? 21.639 23.705 6.376 1.00 28.48 ? 905 HOH A O 1 HETATM 1961 O O . HOH F 5 . ? 4.956 -1.204 7.407 1.00 39.70 ? 906 HOH A O 1 HETATM 1962 O O . HOH F 5 . ? 17.055 2.888 16.408 1.00 39.60 ? 907 HOH A O 1 HETATM 1963 O O . HOH F 5 . ? 25.695 28.009 -0.647 1.00 50.44 ? 908 HOH A O 1 HETATM 1964 O O . HOH F 5 . ? 11.442 -13.435 11.290 1.00 33.77 ? 909 HOH A O 1 HETATM 1965 O O . HOH F 5 . ? 23.794 14.578 -15.911 1.00 46.21 ? 910 HOH A O 1 HETATM 1966 O O . HOH F 5 . ? 17.154 6.023 16.888 1.00 31.91 ? 911 HOH A O 1 HETATM 1967 O O . HOH F 5 . ? 43.841 24.696 -13.245 1.00 37.14 ? 912 HOH A O 1 HETATM 1968 O O . HOH F 5 . ? 21.876 -2.868 -8.479 1.00 51.00 ? 913 HOH A O 1 HETATM 1969 O O . HOH F 5 . ? -0.294 10.735 15.578 1.00 37.98 ? 914 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? 19.649 27.351 -4.313 1.00 49.96 ? 915 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? 12.794 19.139 14.446 1.00 24.96 ? 916 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? 39.757 1.490 3.924 1.00 54.66 ? 917 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? 8.619 -8.865 0.531 1.00 24.09 ? 918 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? 22.093 -7.027 12.115 1.00 26.01 ? 919 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? 17.193 19.560 13.904 1.00 30.02 ? 920 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? 12.787 25.707 -8.438 1.00 41.07 ? 921 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? 2.046 8.267 -7.099 1.00 56.03 ? 922 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? 19.860 -11.287 5.617 1.00 26.97 ? 923 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? 12.414 12.424 20.431 1.00 46.63 ? 924 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? 11.922 19.477 -5.584 1.00 27.75 ? 925 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? 5.668 3.623 0.733 1.00 33.11 ? 926 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? 29.259 26.722 -16.636 1.00 37.15 ? 927 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? 32.543 26.653 -5.336 1.00 32.53 ? 928 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? 18.909 10.986 19.167 1.00 55.25 ? 929 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? 24.260 27.302 -12.908 1.00 50.31 ? 930 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? 35.759 3.474 -0.507 1.00 50.01 ? 931 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? 10.277 11.497 -5.268 1.00 24.04 ? 932 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? 25.070 15.839 -18.200 1.00 43.05 ? 933 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? 3.395 1.647 4.756 1.00 28.60 ? 934 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? 28.207 12.017 13.696 1.00 43.92 ? 935 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? 5.271 10.249 -0.692 1.00 25.28 ? 936 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? -0.329 5.975 -6.796 1.00 42.27 ? 937 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? 11.098 -3.881 12.301 1.00 32.73 ? 938 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? 18.681 -6.252 -15.076 1.00 61.14 ? 939 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? 24.472 -6.180 11.368 1.00 34.13 ? 940 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? 26.335 8.604 -6.885 1.00 42.71 ? 941 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? 5.117 18.915 14.296 1.00 34.57 ? 942 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? 7.764 -4.676 -4.939 1.00 28.91 ? 943 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? 29.395 7.192 -9.250 1.00 41.39 ? 944 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? 13.658 -9.546 2.139 1.00 24.40 ? 945 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? 17.015 16.053 16.838 1.00 45.60 ? 946 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? 22.491 11.932 17.208 1.00 38.33 ? 947 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? 34.217 11.254 3.587 1.00 26.97 ? 948 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? 42.350 17.867 -15.613 1.00 38.92 ? 949 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? 23.326 -6.997 1.980 1.00 29.04 ? 950 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? 30.265 9.612 -12.864 1.00 49.34 ? 951 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? 26.712 11.408 18.339 1.00 49.87 ? 952 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? 22.188 8.474 -1.002 1.00 29.77 ? 953 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? 33.329 25.695 2.497 1.00 44.29 ? 954 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? 35.955 -0.837 13.097 1.00 51.45 ? 955 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? 39.125 21.536 -21.292 1.00 53.76 ? 956 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? 25.386 23.380 5.586 1.00 34.12 ? 957 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? 23.459 -8.731 -0.158 1.00 30.65 ? 958 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? 32.354 -9.656 15.735 1.00 40.72 ? 959 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? 11.518 -2.188 7.329 1.00 25.10 ? 960 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? 20.406 -11.760 -4.557 1.00 46.57 ? 961 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? 39.318 15.041 1.502 1.00 35.21 ? 962 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? 12.211 -5.465 15.251 1.00 39.84 ? 963 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? 31.518 32.893 -22.447 1.00 61.72 ? 964 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? 6.205 19.615 11.814 1.00 36.51 ? 965 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? 27.469 16.802 12.906 1.00 29.78 ? 966 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? 33.097 4.456 -1.632 1.00 44.98 ? 967 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? 27.567 7.849 13.575 1.00 31.37 ? 968 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? 9.684 20.746 -12.255 1.00 36.75 ? 969 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? 31.807 13.456 -15.999 1.00 40.35 ? 970 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? 5.597 -5.920 0.172 1.00 27.55 ? 971 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? 26.911 -3.043 15.467 1.00 36.83 ? 972 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? 20.969 -9.273 13.456 1.00 38.36 ? 973 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? 13.570 8.777 -12.198 1.00 49.43 ? 974 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? 9.674 13.494 16.314 1.00 26.45 ? 975 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? 43.797 29.694 -14.063 1.00 43.97 ? 976 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? 7.130 19.757 -8.516 1.00 35.13 ? 977 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? 4.368 22.168 -1.047 1.00 33.15 ? 978 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? 5.763 12.215 -14.234 1.00 62.27 ? 979 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? 4.974 23.358 3.297 1.00 28.94 ? 980 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? 19.633 18.143 13.963 1.00 33.02 ? 981 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? 6.150 2.012 -2.425 1.00 30.70 ? 982 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? 41.495 12.316 -2.227 1.00 35.33 ? 983 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? 29.322 3.102 12.485 1.00 42.37 ? 984 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? 26.293 11.738 -12.674 1.00 29.32 ? 985 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? 14.562 1.564 16.299 1.00 33.05 ? 986 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? 8.765 15.199 -11.003 1.00 46.30 ? 987 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? 22.041 15.991 15.077 1.00 28.49 ? 988 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? 40.351 24.525 -5.337 1.00 43.47 ? 989 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? 41.553 22.274 1.186 1.00 39.65 ? 990 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? 42.676 25.416 -19.851 1.00 49.93 ? 991 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? 16.538 -14.060 15.303 1.00 34.32 ? 992 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? 9.867 -5.617 -3.162 1.00 29.62 ? 993 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? 13.858 -3.964 -8.161 1.00 31.58 ? 994 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? 28.793 2.321 -0.928 1.00 39.93 ? 995 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? 18.508 26.217 9.860 1.00 35.12 ? 996 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? 15.637 10.260 -13.585 1.00 36.07 ? 997 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? 2.939 16.714 -6.069 1.00 30.20 ? 998 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? 4.306 0.481 9.575 1.00 46.10 ? 999 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? 33.472 17.329 8.757 1.00 42.25 ? 1000 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? 26.555 21.276 12.656 1.00 36.17 ? 1001 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? 7.505 -2.238 -11.483 1.00 43.22 ? 1002 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? 27.656 -2.300 -3.389 1.00 33.37 ? 1003 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? 30.343 -7.646 0.799 1.00 46.66 ? 1004 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? 4.153 5.554 14.512 1.00 46.69 ? 1005 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? 8.534 -6.362 10.566 1.00 35.65 ? 1006 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? 9.134 22.509 -6.968 1.00 38.75 ? 1007 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? 4.784 -6.951 -4.189 1.00 38.28 ? 1008 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? 40.602 14.655 -6.137 1.00 46.20 ? 1009 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? 6.126 8.973 2.043 1.00 41.33 ? 1010 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? 39.258 24.858 -2.135 1.00 37.84 ? 1011 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? 11.552 19.592 16.878 1.00 33.06 ? 1012 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? 33.567 22.639 -20.443 1.00 43.43 ? 1013 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? 13.576 2.653 -12.682 1.00 41.77 ? 1014 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? 22.400 28.593 -6.349 1.00 53.08 ? 1015 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? 7.052 27.807 9.097 1.00 52.79 ? 1016 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? 31.553 17.849 4.891 1.00 43.84 ? 1017 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? 41.404 11.980 -5.358 1.00 41.86 ? 1018 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? 10.552 3.311 17.878 1.00 32.76 ? 1019 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? 14.998 25.670 -3.906 1.00 44.16 ? 1020 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? 13.441 25.259 14.857 1.00 48.46 ? 1021 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? 12.837 22.359 -12.298 1.00 37.20 ? 1022 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? 9.144 -1.698 5.658 1.00 23.60 ? 1023 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? 27.737 22.476 6.915 1.00 45.07 ? 1024 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? 35.033 14.231 -23.122 1.00 58.24 ? 1025 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? 35.664 13.862 -18.289 1.00 39.49 ? 1026 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? 5.491 -6.511 9.012 1.00 38.85 ? 1027 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? 27.567 34.531 -17.185 1.00 47.08 ? 1028 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? 4.631 14.189 -11.459 1.00 51.24 ? 1029 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? 1.430 18.928 -4.033 1.00 38.19 ? 1030 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? 34.103 -7.591 10.133 1.00 53.49 ? 1031 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? 42.428 23.106 -21.699 1.00 53.74 ? 1032 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? 29.229 21.630 2.877 1.00 44.62 ? 1033 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? 11.752 -6.612 -5.082 1.00 37.05 ? 1034 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? 22.380 25.837 -8.935 1.00 36.90 ? 1035 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? 31.064 5.817 -11.212 1.00 53.95 ? 1036 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? 21.829 25.915 3.303 1.00 40.22 ? 1037 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? 7.928 26.370 4.242 1.00 54.07 ? 1038 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? 9.676 25.413 -5.939 1.00 52.41 ? 1039 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? 6.964 -7.522 2.275 1.00 22.28 ? 1040 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? 39.446 19.409 6.719 1.00 52.93 ? 1041 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? 30.618 11.221 12.040 1.00 54.72 ? 1042 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? 15.293 17.751 15.197 1.00 24.17 ? 1043 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? 8.499 2.126 -11.806 1.00 42.22 ? 1044 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? 43.357 25.894 -10.556 1.00 58.89 ? 1045 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? 28.301 29.844 -1.410 1.00 56.81 ? 1046 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? 11.271 9.381 21.338 1.00 47.76 ? 1047 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? -0.078 7.196 17.382 1.00 59.30 ? 1048 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? 33.862 27.735 -7.637 1.00 35.55 ? 1049 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? 3.136 5.110 6.500 1.00 37.61 ? 1050 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? 23.553 -0.044 -5.828 1.00 46.24 ? 1051 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? 18.679 26.540 3.580 1.00 49.46 ? 1052 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? 25.543 0.234 15.172 1.00 36.34 ? 1053 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? 3.786 -1.063 5.046 1.00 46.66 ? 1054 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? 37.262 9.304 -11.924 1.00 52.05 ? 1055 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? 17.940 -5.949 19.301 1.00 42.48 ? 1056 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? 33.733 -0.518 6.243 1.00 36.82 ? 1057 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? 41.451 13.511 0.338 1.00 47.14 ? 1058 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? 26.458 0.770 -3.353 1.00 45.24 ? 1059 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? 2.838 -2.958 -0.241 1.00 34.64 ? 1060 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? 21.138 -12.058 2.007 1.00 36.50 ? 1061 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? 22.748 -8.015 4.519 1.00 37.10 ? 1062 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? 25.838 32.956 -19.010 1.00 64.40 ? 1063 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? 25.296 29.996 -13.494 1.00 33.70 ? 1064 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? 19.694 22.924 -11.444 1.00 43.28 ? 1065 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? 24.874 10.895 -9.533 1.00 28.51 ? 1066 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? 11.373 5.571 20.295 1.00 60.78 ? 1067 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? 24.896 15.839 15.822 1.00 45.33 ? 1068 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? 36.363 16.534 8.593 1.00 49.06 ? 1069 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? 34.513 29.877 -9.292 1.00 50.04 ? 1070 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? 41.038 17.863 -7.672 1.00 42.33 ? 1071 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? 40.643 6.902 6.315 1.00 57.22 ? 1072 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? 5.752 26.669 0.574 1.00 51.49 ? 1073 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? 21.034 -9.620 20.351 1.00 56.63 ? 1074 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? 13.247 6.735 -14.256 1.00 58.51 ? 1075 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? 25.671 -8.414 -1.847 1.00 35.88 ? 1076 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? 18.351 27.098 -11.189 1.00 53.17 ? 1077 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? 22.487 -1.398 17.188 1.00 57.15 ? 1078 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? 13.146 27.300 0.888 1.00 40.58 ? 1079 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? 40.437 4.608 -8.499 1.00 52.90 ? 1080 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? 3.972 9.531 13.142 1.00 32.30 ? 1081 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? 11.235 27.849 10.330 1.00 36.24 ? 1082 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? 21.809 8.596 -8.992 1.00 57.01 ? 1083 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? 18.038 27.135 7.023 1.00 52.50 ? 1084 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? 6.312 23.699 13.267 1.00 50.92 ? 1085 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? 41.775 17.120 -4.856 1.00 57.27 ? 1086 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? 22.618 8.750 -12.868 1.00 41.92 ? 1087 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? 15.827 16.284 21.428 1.00 56.43 ? 1088 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? -1.795 26.224 0.519 1.00 53.08 ? 1089 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? 31.216 23.583 10.151 1.00 51.96 ? 1090 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? 28.568 28.598 -20.016 1.00 55.75 ? 1091 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? 40.499 7.272 -9.859 1.00 52.81 ? 1092 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? 28.610 33.397 -22.052 1.00 58.49 ? 1093 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? 7.079 12.768 19.948 1.00 47.71 ? 1094 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? 9.240 24.170 -14.396 1.00 54.36 ? 1095 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? 38.347 10.339 -16.402 1.00 55.63 ? 1096 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? 36.669 28.929 -14.810 1.00 47.25 ? 1097 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? 18.180 14.261 -15.466 1.00 49.81 ? 1098 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? 43.709 10.518 -1.311 1.00 60.82 ? 1099 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? 33.362 33.581 -20.297 1.00 55.43 ? 1100 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? 33.747 -6.587 12.802 1.00 53.44 ? 1101 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? 39.590 13.798 8.029 1.00 50.17 ? 1102 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? 9.334 9.318 -15.119 1.00 52.54 ? 1103 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? 18.888 -3.379 18.359 1.00 45.81 ? 1104 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? 33.787 14.994 10.929 1.00 53.88 ? 1105 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? 20.541 -1.173 -11.969 1.00 55.39 ? 1106 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? 6.321 6.051 2.802 1.00 46.57 ? 1107 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? 11.185 -5.199 -7.755 1.00 39.77 ? 1108 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? 22.604 9.987 19.533 1.00 38.60 ? 1109 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? 22.261 10.635 -15.602 1.00 60.82 ? 1110 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? 9.011 27.916 -12.144 1.00 52.21 ? 1111 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? 0.426 -3.723 1.047 1.00 52.85 ? 1112 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? 11.170 30.006 -21.331 1.00 44.79 ? 1113 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? 10.797 3.217 -13.131 1.00 49.39 ? 1114 HOH A O 1 HETATM 2170 O O . HOH F 5 . ? 19.873 16.925 17.156 1.00 37.91 ? 1115 HOH A O 1 HETATM 2171 O O . HOH F 5 . ? 25.672 27.088 2.241 1.00 59.81 ? 1116 HOH A O 1 HETATM 2172 O O . HOH F 5 . ? 23.261 14.666 17.996 1.00 48.96 ? 1117 HOH A O 1 HETATM 2173 O O . HOH F 5 . ? 5.986 5.942 -1.134 1.00 41.51 ? 1118 HOH A O 1 HETATM 2174 O O . HOH F 5 . ? 8.279 1.077 16.737 1.00 49.27 ? 1119 HOH A O 1 HETATM 2175 O O . HOH F 5 . ? 11.040 27.928 3.282 1.00 66.44 ? 1120 HOH A O 1 HETATM 2176 O O . HOH F 5 . ? 2.659 -0.142 -0.872 1.00 38.83 ? 1121 HOH A O 1 HETATM 2177 O O . HOH F 5 . ? 27.343 9.061 -13.394 1.00 47.57 ? 1122 HOH A O 1 HETATM 2178 O O . HOH F 5 . ? 26.586 27.148 8.289 1.00 61.98 ? 1123 HOH A O 1 HETATM 2179 O O . HOH F 5 . ? 26.486 13.544 -15.129 1.00 44.60 ? 1124 HOH A O 1 HETATM 2180 O O . HOH F 5 . ? 18.579 17.525 -18.638 1.00 52.62 ? 1125 HOH A O 1 HETATM 2181 O O . HOH F 5 . ? 27.266 -7.788 18.933 1.00 57.32 ? 1126 HOH A O 1 HETATM 2182 O O . HOH F 5 . ? 2.460 2.252 8.018 1.00 61.42 ? 1127 HOH A O 1 HETATM 2183 O O . HOH F 5 . ? 8.255 21.955 -9.889 1.00 44.90 ? 1128 HOH A O 1 HETATM 2184 O O . HOH F 5 . ? 18.244 -0.674 -13.745 1.00 55.02 ? 1129 HOH A O 1 HETATM 2185 O O . HOH F 5 . ? 28.885 14.754 14.108 1.00 42.67 ? 1130 HOH A O 1 HETATM 2186 O O . HOH F 5 . ? 14.874 18.305 19.364 1.00 57.72 ? 1131 HOH A O 1 HETATM 2187 O O . HOH F 5 . ? 23.800 25.594 6.736 1.00 41.50 ? 1132 HOH A O 1 HETATM 2188 O O . HOH F 5 . ? 16.189 21.258 15.959 1.00 48.58 ? 1133 HOH A O 1 HETATM 2189 O O . HOH F 5 . ? 13.480 2.033 19.091 1.00 42.68 ? 1134 HOH A O 1 HETATM 2190 O O . HOH F 5 . ? 31.082 23.924 3.089 1.00 43.12 ? 1135 HOH A O 1 HETATM 2191 O O . HOH F 5 . ? 30.548 11.008 -15.422 1.00 46.56 ? 1136 HOH A O 1 HETATM 2192 O O . HOH F 5 . ? 1.593 14.011 -7.363 1.00 45.62 ? 1137 HOH A O 1 HETATM 2193 O O . HOH F 5 . ? 9.911 13.347 19.145 1.00 38.61 ? 1138 HOH A O 1 HETATM 2194 O O . HOH F 5 . ? 14.870 3.233 -15.202 1.00 52.49 ? 1139 HOH A O 1 HETATM 2195 O O . HOH F 5 . ? 25.612 32.966 -21.961 1.00 58.56 ? 1140 HOH A O 1 HETATM 2196 O O . HOH F 5 . ? 2.759 25.159 3.187 1.00 42.99 ? 1141 HOH A O 1 HETATM 2197 O O . HOH F 5 . ? 8.456 -0.328 -13.553 1.00 51.11 ? 1142 HOH A O 1 HETATM 2198 O O . HOH F 5 . ? 18.896 27.042 -8.283 1.00 55.78 ? 1143 HOH A O 1 HETATM 2199 O O . HOH F 5 . ? 23.247 1.405 16.660 1.00 40.35 ? 1144 HOH A O 1 HETATM 2200 O O . HOH F 5 . ? 21.497 25.057 -12.508 1.00 50.50 ? 1145 HOH A O 1 HETATM 2201 O O . HOH F 5 . ? 14.021 6.076 21.664 1.00 55.30 ? 1146 HOH A O 1 HETATM 2202 O O . HOH F 5 . ? 25.032 11.281 20.789 1.00 66.00 ? 1147 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 1 801 801 NAG NAG A . C 3 GOL 1 802 802 GOL GOL A . D 3 GOL 1 803 803 GOL GOL A . E 4 CTN 1 804 804 CTN CTN A . F 5 HOH 1 901 921 HOH HOH A . F 5 HOH 2 902 1001 HOH HOH A . F 5 HOH 3 903 976 HOH HOH A . F 5 HOH 4 904 927 HOH HOH A . F 5 HOH 5 905 1076 HOH HOH A . F 5 HOH 6 906 1129 HOH HOH A . F 5 HOH 7 907 1079 HOH HOH A . F 5 HOH 8 908 1002 HOH HOH A . F 5 HOH 9 909 1033 HOH HOH A . F 5 HOH 10 910 1034 HOH HOH A . F 5 HOH 11 911 980 HOH HOH A . F 5 HOH 12 912 931 HOH HOH A . F 5 HOH 13 913 1104 HOH HOH A . F 5 HOH 14 914 1020 HOH HOH A . F 5 HOH 15 915 1091 HOH HOH A . F 5 HOH 16 916 907 HOH HOH A . F 5 HOH 17 917 1049 HOH HOH A . F 5 HOH 18 918 920 HOH HOH A . F 5 HOH 19 919 918 HOH HOH A . F 5 HOH 20 920 959 HOH HOH A . F 5 HOH 21 921 944 HOH HOH A . F 5 HOH 22 922 1053 HOH HOH A . F 5 HOH 23 923 909 HOH HOH A . F 5 HOH 24 924 1009 HOH HOH A . F 5 HOH 25 925 917 HOH HOH A . F 5 HOH 26 926 979 HOH HOH A . F 5 HOH 27 927 956 HOH HOH A . F 5 HOH 28 928 948 HOH HOH A . F 5 HOH 29 929 1111 HOH HOH A . F 5 HOH 30 930 1073 HOH HOH A . F 5 HOH 31 931 1037 HOH HOH A . F 5 HOH 32 932 912 HOH HOH A . F 5 HOH 33 933 1046 HOH HOH A . F 5 HOH 34 934 1082 HOH HOH A . F 5 HOH 35 935 966 HOH HOH A . F 5 HOH 36 936 929 HOH HOH A . F 5 HOH 37 937 1136 HOH HOH A . F 5 HOH 38 938 934 HOH HOH A . F 5 HOH 39 939 991 HOH HOH A . F 5 HOH 40 940 937 HOH HOH A . F 5 HOH 41 941 1077 HOH HOH A . F 5 HOH 42 942 967 HOH HOH A . F 5 HOH 43 943 928 HOH HOH A . F 5 HOH 44 944 1131 HOH HOH A . F 5 HOH 45 945 908 HOH HOH A . F 5 HOH 46 946 1003 HOH HOH A . F 5 HOH 47 947 1014 HOH HOH A . F 5 HOH 48 948 924 HOH HOH A . F 5 HOH 49 949 971 HOH HOH A . F 5 HOH 50 950 901 HOH HOH A . F 5 HOH 51 951 1010 HOH HOH A . F 5 HOH 52 952 1057 HOH HOH A . F 5 HOH 53 953 913 HOH HOH A . F 5 HOH 54 954 1041 HOH HOH A . F 5 HOH 55 955 1056 HOH HOH A . F 5 HOH 56 956 1060 HOH HOH A . F 5 HOH 57 957 943 HOH HOH A . F 5 HOH 58 958 1081 HOH HOH A . F 5 HOH 59 959 1086 HOH HOH A . F 5 HOH 60 960 903 HOH HOH A . F 5 HOH 61 961 1066 HOH HOH A . F 5 HOH 62 962 950 HOH HOH A . F 5 HOH 63 963 1004 HOH HOH A . F 5 HOH 64 964 1062 HOH HOH A . F 5 HOH 65 965 969 HOH HOH A . F 5 HOH 66 966 951 HOH HOH A . F 5 HOH 67 967 1063 HOH HOH A . F 5 HOH 68 968 935 HOH HOH A . F 5 HOH 69 969 1000 HOH HOH A . F 5 HOH 70 970 963 HOH HOH A . F 5 HOH 71 971 922 HOH HOH A . F 5 HOH 72 972 914 HOH HOH A . F 5 HOH 73 973 961 HOH HOH A . F 5 HOH 74 974 1092 HOH HOH A . F 5 HOH 75 975 938 HOH HOH A . F 5 HOH 76 976 1017 HOH HOH A . F 5 HOH 77 977 955 HOH HOH A . F 5 HOH 78 978 949 HOH HOH A . F 5 HOH 79 979 1045 HOH HOH A . F 5 HOH 80 980 962 HOH HOH A . F 5 HOH 81 981 952 HOH HOH A . F 5 HOH 82 982 947 HOH HOH A . F 5 HOH 83 983 960 HOH HOH A . F 5 HOH 84 984 1019 HOH HOH A . F 5 HOH 85 985 923 HOH HOH A . F 5 HOH 86 986 905 HOH HOH A . F 5 HOH 87 987 1067 HOH HOH A . F 5 HOH 88 988 910 HOH HOH A . F 5 HOH 89 989 916 HOH HOH A . F 5 HOH 90 990 946 HOH HOH A . F 5 HOH 91 991 1028 HOH HOH A . F 5 HOH 92 992 973 HOH HOH A . F 5 HOH 93 993 936 HOH HOH A . F 5 HOH 94 994 940 HOH HOH A . F 5 HOH 95 995 981 HOH HOH A . F 5 HOH 96 996 984 HOH HOH A . F 5 HOH 97 997 964 HOH HOH A . F 5 HOH 98 998 986 HOH HOH A . F 5 HOH 99 999 1027 HOH HOH A . F 5 HOH 100 1000 1044 HOH HOH A . F 5 HOH 101 1001 1112 HOH HOH A . F 5 HOH 102 1002 1108 HOH HOH A . F 5 HOH 103 1003 974 HOH HOH A . F 5 HOH 104 1004 978 HOH HOH A . F 5 HOH 105 1005 1038 HOH HOH A . F 5 HOH 106 1006 988 HOH HOH A . F 5 HOH 107 1007 925 HOH HOH A . F 5 HOH 108 1008 972 HOH HOH A . F 5 HOH 109 1009 1054 HOH HOH A . F 5 HOH 110 1010 1094 HOH HOH A . F 5 HOH 111 1011 926 HOH HOH A . F 5 HOH 112 1012 933 HOH HOH A . F 5 HOH 113 1013 1005 HOH HOH A . F 5 HOH 114 1014 1137 HOH HOH A . F 5 HOH 115 1015 1142 HOH HOH A . F 5 HOH 116 1016 1043 HOH HOH A . F 5 HOH 117 1017 1026 HOH HOH A . F 5 HOH 118 1018 1069 HOH HOH A . F 5 HOH 119 1019 942 HOH HOH A . F 5 HOH 120 1020 1012 HOH HOH A . F 5 HOH 121 1021 1127 HOH HOH A . F 5 HOH 122 1022 965 HOH HOH A . F 5 HOH 123 1023 954 HOH HOH A . F 5 HOH 124 1024 985 HOH HOH A . F 5 HOH 125 1025 1055 HOH HOH A . F 5 HOH 126 1026 1110 HOH HOH A . F 5 HOH 127 1027 977 HOH HOH A . F 5 HOH 128 1028 1133 HOH HOH A . F 5 HOH 129 1029 1071 HOH HOH A . F 5 HOH 130 1030 1083 HOH HOH A . F 5 HOH 131 1031 1132 HOH HOH A . F 5 HOH 132 1032 1088 HOH HOH A . F 5 HOH 133 1033 915 HOH HOH A . F 5 HOH 134 1034 970 HOH HOH A . F 5 HOH 135 1035 1025 HOH HOH A . F 5 HOH 136 1036 1100 HOH HOH A . F 5 HOH 137 1037 992 HOH HOH A . F 5 HOH 138 1038 1119 HOH HOH A . F 5 HOH 139 1039 1068 HOH HOH A . F 5 HOH 140 1040 932 HOH HOH A . F 5 HOH 141 1041 945 HOH HOH A . F 5 HOH 142 1042 1065 HOH HOH A . F 5 HOH 143 1043 911 HOH HOH A . F 5 HOH 144 1044 1011 HOH HOH A . F 5 HOH 145 1045 1024 HOH HOH A . F 5 HOH 146 1046 1036 HOH HOH A . F 5 HOH 147 1047 1144 HOH HOH A . F 5 HOH 148 1048 1106 HOH HOH A . F 5 HOH 149 1049 1115 HOH HOH A . F 5 HOH 150 1050 998 HOH HOH A . F 5 HOH 151 1051 1035 HOH HOH A . F 5 HOH 152 1052 1058 HOH HOH A . F 5 HOH 153 1053 930 HOH HOH A . F 5 HOH 154 1054 902 HOH HOH A . F 5 HOH 155 1055 1052 HOH HOH A . F 5 HOH 156 1056 995 HOH HOH A . F 5 HOH 157 1057 958 HOH HOH A . F 5 HOH 158 1058 996 HOH HOH A . F 5 HOH 159 1059 1040 HOH HOH A . F 5 HOH 160 1060 1006 HOH HOH A . F 5 HOH 161 1061 1085 HOH HOH A . F 5 HOH 162 1062 1080 HOH HOH A . F 5 HOH 163 1063 1130 HOH HOH A . F 5 HOH 164 1064 906 HOH HOH A . F 5 HOH 165 1065 904 HOH HOH A . F 5 HOH 166 1066 953 HOH HOH A . F 5 HOH 167 1067 982 HOH HOH A . F 5 HOH 168 1068 993 HOH HOH A . F 5 HOH 169 1069 1125 HOH HOH A . F 5 HOH 170 1070 997 HOH HOH A . F 5 HOH 171 1071 1102 HOH HOH A . F 5 HOH 172 1072 989 HOH HOH A . F 5 HOH 173 1073 1015 HOH HOH A . F 5 HOH 174 1074 1059 HOH HOH A . F 5 HOH 175 1075 968 HOH HOH A . F 5 HOH 176 1076 983 HOH HOH A . F 5 HOH 177 1077 1121 HOH HOH A . F 5 HOH 178 1078 1146 HOH HOH A . F 5 HOH 179 1079 919 HOH HOH A . F 5 HOH 180 1080 1061 HOH HOH A . F 5 HOH 181 1081 941 HOH HOH A . F 5 HOH 182 1082 990 HOH HOH A . F 5 HOH 183 1083 1008 HOH HOH A . F 5 HOH 184 1084 1022 HOH HOH A . F 5 HOH 185 1085 1048 HOH HOH A . F 5 HOH 186 1086 1039 HOH HOH A . F 5 HOH 187 1087 1030 HOH HOH A . F 5 HOH 188 1088 1118 HOH HOH A . F 5 HOH 189 1089 1101 HOH HOH A . F 5 HOH 190 1090 1123 HOH HOH A . F 5 HOH 191 1091 1021 HOH HOH A . F 5 HOH 192 1092 1147 HOH HOH A . F 5 HOH 193 1093 1013 HOH HOH A . F 5 HOH 194 1094 1099 HOH HOH A . F 5 HOH 195 1095 1128 HOH HOH A . F 5 HOH 196 1096 1031 HOH HOH A . F 5 HOH 197 1097 987 HOH HOH A . F 5 HOH 198 1098 975 HOH HOH A . F 5 HOH 199 1099 1087 HOH HOH A . F 5 HOH 200 1100 1078 HOH HOH A . F 5 HOH 201 1101 1103 HOH HOH A . F 5 HOH 202 1102 1135 HOH HOH A . F 5 HOH 203 1103 1109 HOH HOH A . F 5 HOH 204 1104 957 HOH HOH A . F 5 HOH 205 1105 1124 HOH HOH A . F 5 HOH 206 1106 1105 HOH HOH A . F 5 HOH 207 1107 939 HOH HOH A . F 5 HOH 208 1108 994 HOH HOH A . F 5 HOH 209 1109 1107 HOH HOH A . F 5 HOH 210 1110 1051 HOH HOH A . F 5 HOH 211 1111 1140 HOH HOH A . F 5 HOH 212 1112 1064 HOH HOH A . F 5 HOH 213 1113 1074 HOH HOH A . F 5 HOH 214 1114 1075 HOH HOH A . F 5 HOH 215 1115 1089 HOH HOH A . F 5 HOH 216 1116 1141 HOH HOH A . F 5 HOH 217 1117 1070 HOH HOH A . F 5 HOH 218 1118 1007 HOH HOH A . F 5 HOH 219 1119 1047 HOH HOH A . F 5 HOH 220 1120 1072 HOH HOH A . F 5 HOH 221 1121 1097 HOH HOH A . F 5 HOH 222 1122 1145 HOH HOH A . F 5 HOH 223 1123 1122 HOH HOH A . F 5 HOH 224 1124 1096 HOH HOH A . F 5 HOH 225 1125 1117 HOH HOH A . F 5 HOH 226 1126 1114 HOH HOH A . F 5 HOH 227 1127 1050 HOH HOH A . F 5 HOH 228 1128 999 HOH HOH A . F 5 HOH 229 1129 1095 HOH HOH A . F 5 HOH 230 1130 1032 HOH HOH A . F 5 HOH 231 1131 1116 HOH HOH A . F 5 HOH 232 1132 1018 HOH HOH A . F 5 HOH 233 1133 1113 HOH HOH A . F 5 HOH 234 1134 1016 HOH HOH A . F 5 HOH 235 1135 1090 HOH HOH A . F 5 HOH 236 1136 1093 HOH HOH A . F 5 HOH 237 1137 1042 HOH HOH A . F 5 HOH 238 1138 1098 HOH HOH A . F 5 HOH 239 1139 1029 HOH HOH A . F 5 HOH 240 1140 1134 HOH HOH A . F 5 HOH 241 1141 1084 HOH HOH A . F 5 HOH 242 1142 1138 HOH HOH A . F 5 HOH 243 1143 1120 HOH HOH A . F 5 HOH 244 1144 1143 HOH HOH A . F 5 HOH 245 1145 1126 HOH HOH A . F 5 HOH 246 1146 1023 HOH HOH A . F 5 HOH 247 1147 1139 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 801 _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)' 1260 ? 1 MORE 5 ? 1 'SSA (A^2)' 11190 ? # _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_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 CB A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? B 96.12 110.10 -13.98 1.90 N 2 1 N A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? A 128.83 111.00 17.83 2.70 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 LEU A 77 ? ? 59.23 -105.33 2 1 PRO A 106 ? ? -85.17 40.95 3 1 ASP A 143 ? ? -162.47 99.84 4 1 THR A 158 ? ? -118.69 -79.01 5 1 SER A 235 ? ? -149.25 29.05 6 1 ASN A 236 ? ? -104.70 -68.59 7 1 ASN A 236 ? ? -128.44 -68.59 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 SER A 235 ? A -22.20 2 1 SER A 235 ? B 14.51 # 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 '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE' CTN 5 water HOH #