data_4ZU0 # _entry.id 4ZU0 # _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 4ZU0 WWPDB D_1000209900 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4ZU0 _pdbx_database_status.recvd_initial_deposition_date 2015-05-15 _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 4ZU0 _cell.details ? _cell.formula_units_Z ? _cell.length_a 129.980 _cell.length_a_esd ? _cell.length_b 129.980 _cell.length_b_esd ? _cell.length_c 40.066 _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 4ZU0 _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 "CYTIDINE-5'-MONOPHOSPHATE" 323.197 1 ? ? ? ? 5 water nat water 18.015 250 ? ? ? ? # _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 4ZU0 _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 C5P non-polymer . "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197 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 4ZU0 _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 48.84 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.7 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type MARRESEARCH _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2012-11-11 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator Graphite _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4ZU0 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.80 _reflns.d_resolution_low 37.77 _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 22210 _reflns.number_obs 22210 _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 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.3 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.049 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 62.7 _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 1.80 _reflns_shell.d_res_low 1.83 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 5.0 _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 99.6 _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] -1.33 _refine.aniso_B[1][2] -1.33 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -1.33 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 4.31 _refine.B_iso_max ? _refine.B_iso_mean 32.267 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.967 _refine.correlation_coeff_Fo_to_Fc_free 0.956 _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 4ZU0 _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 1.80 _refine.ls_d_res_low 37.77 _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 22210 _refine.ls_number_reflns_R_free 1205 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.30 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.18426 _refine.ls_R_factor_R_free 0.20872 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.18293 _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 0.136 _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 2.777 _refine.overall_SU_ML 0.087 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 1911 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 47 _refine_hist.number_atoms_solvent 250 _refine_hist.number_atoms_total 2208 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 37.77 # 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 1997 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 1915 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.051 1.992 2722 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.715 3.000 4384 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 4.935 5.000 246 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.021 23.929 84 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 11.781 15.000 322 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 12.355 15.000 13 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.059 0.200 324 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.004 0.021 2247 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 457 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 0.878 3.049 986 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 0.877 3.047 985 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.475 4.567 1231 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.475 4.569 1232 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.114 3.292 1011 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.105 3.282 1007 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 1.847 4.857 1485 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 5.232 26.297 2460 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 5.232 26.310 2461 ? 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 1.796 _refine_ls_shell.d_res_low 1.842 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 85 _refine_ls_shell.number_reflns_R_work 1520 _refine_ls_shell.percent_reflns_obs 90.99 _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 0.306 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.238 _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 4ZU0 _struct.title ;Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine monophosphate at 1.80 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 4ZU0 _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 ? LEU A 25 ? ASP A 10 LEU A 25 1 ? 16 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 ? ALA A 202 ? SER A 182 ALA A 202 1 ? 21 HELX_P HELX_P11 AB2 GLN A 203 ? ASN A 205 ? GLN A 203 ASN A 205 5 ? 3 HELX_P HELX_P12 AB3 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P13 AB4 ASN A 242 ? ILE A 246 ? ASN A 242 ILE A 246 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 227 _struct_conn.ptnr1_label_atom_id ND2 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_conn.pdbx_ptnr1_standard_comp_id ? _struct_conn.ptnr1_symmetry 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 227 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 301 _struct_conn.ptnr2_symmetry 1_555 _struct_conn.pdbx_ptnr3_label_atom_id ? _struct_conn.pdbx_ptnr3_label_seq_id ? _struct_conn.pdbx_ptnr3_label_comp_id ? _struct_conn.pdbx_ptnr3_label_asym_id ? _struct_conn.pdbx_ptnr3_label_alt_id ? _struct_conn.pdbx_ptnr3_PDB_ins_code ? _struct_conn.details ? _struct_conn.pdbx_dist_value 1.448 _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 302 ? 6 'binding site for residue GOL A 302' AC2 Software A GOL 303 ? 5 'binding site for residue GOL A 303' AC3 Software A C5P 304 ? 15 'binding site for residue C5P A 304' AC4 Software A NAG 301 ? 7 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 227' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 LEU A 6 ? LEU A 6 . ? 1_555 ? 2 AC1 6 ALA A 9 ? ALA A 9 . ? 1_555 ? 3 AC1 6 ARG A 101 ? ARG A 101 . ? 2_555 ? 4 AC1 6 PRO A 130 ? PRO A 130 . ? 1_555 ? 5 AC1 6 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 407 . ? 1_555 ? 7 AC2 5 ASN A 33 ? ASN A 33 . ? 1_555 ? 8 AC2 5 THR A 234 ? THR A 234 . ? 1_555 ? 9 AC2 5 SER A 235 ? SER A 235 . ? 1_555 ? 10 AC2 5 GLN A 238 ? GLN A 238 . ? 1_555 ? 11 AC2 5 HOH F . ? HOH A 408 . ? 1_555 ? 12 AC3 15 TYR A 70 ? TYR A 70 . ? 1_555 ? 13 AC3 15 ILE A 71 ? ILE A 71 . ? 1_555 ? 14 AC3 15 MET A 72 ? MET A 72 . ? 1_555 ? 15 AC3 15 PHE A 83 ? PHE A 83 . ? 1_555 ? 16 AC3 15 GLU A 85 ? GLU A 85 . ? 1_555 ? 17 AC3 15 GLY A 109 ? GLY A 109 . ? 1_555 ? 18 AC3 15 ASN A 110 ? ASN A 110 . ? 1_555 ? 19 AC3 15 TYR A 111 ? TYR A 111 . ? 1_555 ? 20 AC3 15 GLU A 112 ? GLU A 112 . ? 1_555 ? 21 AC3 15 ILE A 155 ? ILE A 155 . ? 1_555 ? 22 AC3 15 GLU A 160 ? GLU A 160 . ? 1_555 ? 23 AC3 15 ARG A 163 ? ARG A 163 . ? 1_555 ? 24 AC3 15 HOH F . ? HOH A 415 . ? 1_555 ? 25 AC3 15 HOH F . ? HOH A 424 . ? 1_555 ? 26 AC3 15 HOH F . ? HOH A 452 . ? 1_555 ? 27 AC4 7 ASN A 227 ? ASN A 227 . ? 1_555 ? 28 AC4 7 THR A 229 ? THR A 229 . ? 1_555 ? 29 AC4 7 HOH F . ? HOH A 405 . ? 1_555 ? 30 AC4 7 HOH F . ? HOH A 411 . ? 1_555 ? 31 AC4 7 HOH F . ? HOH A 416 . ? 1_555 ? 32 AC4 7 HOH F . ? HOH A 431 . ? 1_555 ? 33 AC4 7 HOH F . ? HOH A 508 . ? 1_555 ? # _atom_sites.entry_id 4ZU0 _atom_sites.fract_transf_matrix[1][1] 0.007693 _atom_sites.fract_transf_matrix[1][2] 0.004442 _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] 0.008884 _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] 0.024959 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? 27.096 10.690 15.416 1.00 33.85 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? 25.740 10.464 14.822 1.00 33.97 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? 25.038 11.793 14.570 1.00 32.74 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? 25.437 12.824 15.110 1.00 33.50 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? 24.866 9.606 15.745 1.00 34.54 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? 25.487 8.253 16.070 1.00 34.83 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? 26.618 7.973 15.630 1.00 35.30 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? 24.830 7.464 16.779 1.00 36.42 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? 23.999 11.760 13.743 1.00 31.36 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? 23.124 12.916 13.542 1.00 29.95 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? 21.673 12.493 13.762 1.00 29.05 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? 21.344 11.306 13.665 1.00 28.42 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? 23.302 13.555 12.145 1.00 30.34 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 24.704 14.134 12.000 1.00 30.41 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 23.012 12.558 11.032 1.00 30.07 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? 20.820 13.460 14.079 1.00 28.26 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? 19.418 13.189 14.376 1.00 28.26 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? 18.474 14.206 13.751 1.00 28.16 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? 18.847 15.358 13.519 1.00 27.56 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? 19.197 13.163 15.890 1.00 28.43 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? 19.933 12.114 16.485 1.00 29.15 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? 17.245 13.765 13.488 1.00 27.47 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? 16.174 14.649 13.041 1.00 27.39 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? 14.820 14.162 13.544 1.00 27.74 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? 14.483 12.989 13.405 1.00 26.75 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? 16.143 14.748 11.515 1.00 26.92 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? 15.088 15.685 10.988 1.00 27.03 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? 15.024 17.002 11.431 1.00 26.66 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? 14.169 15.261 10.032 1.00 26.93 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? 14.059 17.866 10.951 1.00 26.71 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? 13.204 16.125 9.543 1.00 26.88 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? 13.148 17.431 10.004 1.00 26.83 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? 14.046 15.085 14.108 1.00 28.62 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? 12.736 14.784 14.662 1.00 29.43 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? 11.649 15.503 13.870 1.00 29.10 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? 11.682 16.724 13.726 1.00 28.28 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? 12.698 15.198 16.137 1.00 31.34 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? 13.607 14.343 17.007 1.00 33.56 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? 13.799 14.906 18.404 1.00 36.00 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? 14.396 13.916 19.305 1.00 38.15 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? 15.689 13.583 19.349 1.00 39.11 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? 16.579 14.153 18.539 1.00 40.11 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? 16.099 12.664 20.220 1.00 39.58 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? 10.692 14.742 13.350 1.00 28.59 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? 9.593 15.320 12.581 1.00 28.80 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? 8.598 16.054 13.483 1.00 29.61 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? 7.928 16.987 13.040 1.00 30.80 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? 8.881 14.252 11.741 1.00 28.87 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? 9.495 13.957 10.365 1.00 28.58 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? 9.352 15.154 9.431 1.00 28.21 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? 10.953 13.529 10.468 1.00 28.81 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? 8.513 15.639 14.743 1.00 30.52 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? 7.639 16.307 15.701 1.00 31.39 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? 8.150 17.719 15.980 1.00 31.43 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? 9.227 17.898 16.550 1.00 31.06 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? 7.545 15.515 17.005 1.00 31.99 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? 6.497 16.023 17.811 1.00 33.25 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? 7.373 18.715 15.562 1.00 31.43 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? 7.752 20.118 15.720 1.00 31.51 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? 8.720 20.610 14.659 1.00 31.37 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? 9.244 21.724 14.757 1.00 31.97 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? 8.955 19.791 13.636 1.00 30.44 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? 9.885 20.142 12.568 1.00 30.71 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? 9.396 21.341 11.760 1.00 30.70 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? 8.200 21.489 11.505 1.00 29.84 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? 10.107 18.952 11.645 1.00 30.39 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? 10.335 22.198 11.371 1.00 30.75 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? 10.049 23.306 10.465 1.00 30.84 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? 11.251 23.501 9.536 1.00 30.47 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? 12.262 22.811 9.692 1.00 29.38 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? 9.695 24.575 11.260 1.00 31.73 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? 10.860 25.127 12.071 1.00 33.24 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? 11.928 24.480 12.157 1.00 33.53 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? 10.692 26.231 12.638 1.00 34.67 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? 11.145 24.414 8.553 1.00 30.70 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? 12.286 24.601 7.651 1.00 30.34 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? 13.621 24.830 8.365 1.00 30.52 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? 14.659 24.375 7.885 1.00 29.43 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? 11.873 25.820 6.829 1.00 30.83 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? 10.388 25.703 6.749 1.00 30.79 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? 9.961 25.162 8.088 1.00 30.39 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? 13.587 25.508 9.511 1.00 31.22 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? 14.796 25.776 10.285 1.00 32.20 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? 15.421 24.495 10.846 1.00 31.39 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? 16.603 24.234 10.630 1.00 31.95 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? 14.496 26.754 11.425 1.00 33.03 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? 15.691 27.170 12.064 1.00 36.12 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? 14.630 23.696 11.559 1.00 30.05 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? 15.151 22.474 12.179 1.00 29.37 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? 15.614 21.459 11.130 1.00 27.77 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? 16.597 20.746 11.334 1.00 27.63 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? 14.121 21.846 13.126 1.00 29.76 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? 13.051 21.253 12.416 1.00 29.97 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? 14.917 21.403 10.004 1.00 27.13 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? 15.358 20.561 8.898 1.00 26.30 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? 16.703 21.051 8.353 1.00 26.52 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? 17.602 20.251 8.084 1.00 26.07 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? 14.312 20.538 7.793 1.00 25.95 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? 14.757 19.763 6.582 1.00 25.36 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? 14.884 18.381 6.628 1.00 25.13 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? 15.062 20.413 5.397 1.00 25.35 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? 15.296 17.666 5.521 1.00 24.94 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? 15.475 19.708 4.284 1.00 24.64 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? 15.590 18.336 4.354 1.00 24.67 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? 15.998 17.643 3.251 1.00 23.79 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? 16.835 22.364 8.190 1.00 26.70 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? 18.101 22.964 7.761 1.00 27.30 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? 19.251 22.631 8.698 1.00 27.72 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? 20.371 22.367 8.256 1.00 27.67 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? 18.981 22.641 9.998 1.00 28.62 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? 19.994 22.272 10.985 1.00 29.55 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? 20.402 20.804 10.835 1.00 28.17 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? 21.576 20.465 10.963 1.00 26.85 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? 19.490 22.546 12.406 1.00 32.78 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? 19.385 24.025 12.740 1.00 35.98 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? 19.078 24.334 14.490 1.00 42.29 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? 17.312 24.066 14.595 1.00 41.05 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? 19.429 19.942 10.556 1.00 26.11 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? 19.699 18.519 10.336 1.00 26.04 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? 20.606 18.295 9.123 1.00 25.24 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? 21.571 17.537 9.196 1.00 25.89 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? 18.380 17.748 10.183 1.00 25.87 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? 18.518 16.424 9.482 1.00 25.79 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? 19.343 15.433 9.994 1.00 26.00 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? 17.810 16.167 8.314 1.00 26.09 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? 19.465 14.211 9.354 1.00 26.28 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? 17.927 14.947 7.670 1.00 26.29 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? 18.758 13.969 8.188 1.00 26.08 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? 20.288 18.949 8.014 1.00 25.58 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? 21.057 18.785 6.786 1.00 25.52 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? 22.470 19.350 6.980 1.00 26.67 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? 23.442 18.788 6.470 1.00 26.23 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? 20.328 19.424 5.580 1.00 25.33 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? 19.002 18.694 5.297 1.00 25.14 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? 21.199 19.416 4.334 1.00 25.29 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? 19.130 17.204 5.034 1.00 24.92 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? 22.577 20.437 7.744 1.00 27.76 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? 23.879 20.987 8.130 1.00 29.43 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? 24.685 19.966 8.938 1.00 28.74 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? 25.861 19.739 8.653 1.00 28.47 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? 23.699 22.275 8.944 1.00 31.23 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? 25.002 22.970 9.327 1.00 33.37 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? 24.805 23.957 10.471 1.00 35.31 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? 24.004 25.176 10.047 1.00 37.35 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? 23.747 26.092 11.196 1.00 38.53 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? 24.052 19.359 9.942 1.00 28.67 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? 24.695 18.310 10.747 1.00 29.07 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? 25.147 17.140 9.876 1.00 28.01 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? 26.249 16.620 10.044 1.00 26.84 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? 23.743 17.775 11.825 1.00 30.28 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? 23.391 18.810 12.879 1.00 31.11 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? 24.085 19.843 12.984 1.00 32.68 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? 22.406 18.583 13.610 1.00 32.09 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? 24.281 16.728 8.950 1.00 27.88 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? 24.573 15.603 8.062 1.00 27.99 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? 25.830 15.881 7.234 1.00 27.68 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? 26.759 15.073 7.220 1.00 27.12 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? 23.367 15.311 7.159 1.00 28.04 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? 23.494 14.235 6.076 1.00 28.61 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? 24.129 12.955 6.592 1.00 28.85 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? 22.123 13.942 5.485 1.00 28.52 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? 25.864 17.034 6.572 1.00 27.76 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? 27.041 17.453 5.806 1.00 27.71 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? 28.300 17.480 6.672 1.00 28.90 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? 29.347 16.970 6.272 1.00 29.22 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? 26.827 18.846 5.216 1.00 27.38 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? 25.832 18.905 4.072 1.00 26.98 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? 25.385 20.333 3.827 1.00 26.84 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? 24.391 20.416 2.760 1.00 26.09 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? 23.474 21.374 2.640 1.00 26.58 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? 23.394 22.367 3.527 1.00 27.36 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? 22.617 21.336 1.627 1.00 25.91 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? 28.192 18.079 7.855 1.00 30.24 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? 29.346 18.236 8.748 1.00 31.85 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? 29.821 16.927 9.377 1.00 31.68 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? 30.938 16.856 9.892 1.00 32.43 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? 29.051 19.266 9.852 1.00 32.96 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? 28.940 20.700 9.333 1.00 34.28 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? 28.275 21.527 9.954 1.00 35.62 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? 29.590 21.007 8.212 1.00 35.33 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? 28.981 15.894 9.335 1.00 30.73 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? 29.363 14.572 9.823 1.00 30.68 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? 30.198 13.792 8.802 1.00 30.71 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? 30.827 12.795 9.150 1.00 31.00 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? 28.123 13.776 10.208 1.00 30.74 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? 30.197 14.235 7.546 1.00 31.06 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? 30.959 13.570 6.493 1.00 30.98 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? 32.390 14.107 6.477 1.00 32.14 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? 32.592 15.316 6.347 1.00 31.65 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? 30.303 13.796 5.129 1.00 31.09 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? 28.818 13.425 5.035 1.00 31.03 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? 28.266 13.792 3.669 1.00 30.90 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? 28.595 11.946 5.324 1.00 31.09 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? 33.386 13.213 6.609 1.00 32.62 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? 34.768 13.673 6.696 1.00 33.48 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? 35.368 14.048 5.349 1.00 34.64 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? 34.980 13.508 4.312 1.00 33.20 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? 35.500 12.465 7.282 1.00 33.55 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? 34.726 11.294 6.794 1.00 33.33 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? 33.294 11.743 6.683 1.00 32.93 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? 36.314 14.980 5.385 1.00 35.99 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? 37.090 15.354 4.215 1.00 37.68 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? 38.398 15.975 4.689 1.00 38.46 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? 38.464 16.516 5.794 1.00 36.98 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? 36.314 16.340 3.336 1.00 38.02 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? 36.140 17.696 3.948 1.00 39.17 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? 35.102 18.002 4.802 1.00 40.20 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? 36.872 18.830 3.822 1.00 39.37 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? 35.204 19.265 5.179 1.00 40.73 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? 36.269 19.790 4.597 1.00 40.22 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? 39.434 15.867 3.863 1.00 40.92 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? 40.729 16.487 4.154 1.00 41.90 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? 41.068 17.594 3.157 1.00 42.27 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? 42.089 18.268 3.299 1.00 42.44 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? 41.861 15.443 4.130 1.00 43.48 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? 41.812 14.708 2.902 1.00 44.60 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? 41.730 14.484 5.304 1.00 44.23 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? 40.205 17.786 2.164 1.00 41.61 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? 40.479 18.688 1.059 1.00 41.82 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? 39.171 19.262 0.529 1.00 40.40 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? 38.142 18.578 0.522 1.00 38.40 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? 41.196 17.915 -0.049 1.00 44.26 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? 41.747 18.758 -1.186 1.00 47.03 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? 42.331 17.915 -2.310 1.00 48.80 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? 42.579 16.708 -2.094 1.00 50.85 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? 42.541 18.459 -3.415 1.00 51.25 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? 39.215 20.523 0.110 1.00 38.08 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? 38.122 21.131 -0.636 1.00 37.00 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? 38.598 21.403 -2.055 1.00 36.50 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? 39.756 21.769 -2.271 1.00 35.94 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? 37.667 22.437 0.012 1.00 37.00 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? 37.121 22.284 1.422 1.00 37.21 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? 36.400 23.546 1.866 1.00 37.78 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? 35.982 23.469 3.325 1.00 38.22 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? 35.340 24.734 3.785 1.00 38.82 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? 37.703 21.204 -3.016 1.00 35.10 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? 37.976 21.498 -4.415 1.00 34.50 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? 36.994 22.579 -4.838 1.00 34.65 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? 35.778 22.377 -4.781 1.00 33.96 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? 37.821 20.243 -5.294 1.00 33.85 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? 38.066 20.573 -6.759 1.00 33.99 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? 38.772 19.149 -4.824 1.00 34.31 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? 37.532 23.728 -5.241 1.00 34.10 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? 36.741 24.932 -5.493 1.00 34.47 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? 35.797 25.237 -4.325 1.00 34.03 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? 34.621 25.545 -4.513 1.00 34.71 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? 36.008 24.822 -6.833 1.00 34.82 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? 36.968 24.835 -8.003 1.00 35.02 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? 37.548 26.027 -8.435 1.00 35.75 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? 37.319 23.660 -8.663 1.00 35.42 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? 38.438 26.050 -9.495 1.00 35.63 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? 38.210 23.675 -9.726 1.00 36.13 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? 38.767 24.874 -10.136 1.00 36.01 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? 39.650 24.904 -11.194 1.00 37.33 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? 36.352 25.133 -3.118 1.00 33.30 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? 35.663 25.433 -1.863 1.00 33.45 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? 34.529 24.465 -1.489 1.00 33.02 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? 33.758 24.738 -0.568 1.00 32.56 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? 35.153 26.879 -1.865 1.00 34.57 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? 34.999 27.447 -0.465 1.00 35.50 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? 35.873 27.278 0.386 1.00 36.24 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? 33.885 28.126 -0.220 1.00 36.50 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? 34.454 23.330 -2.180 1.00 32.18 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? 33.450 22.301 -1.901 1.00 31.45 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? 34.158 21.096 -1.290 1.00 30.67 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? 35.106 20.581 -1.884 1.00 30.68 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? 32.737 21.838 -3.186 1.00 32.00 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? 32.169 23.029 -3.957 1.00 31.97 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? 31.614 20.862 -2.853 1.00 32.30 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? 32.072 22.785 -5.444 1.00 31.87 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? 33.700 20.634 -0.109 1.00 29.30 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? 34.310 19.464 0.522 1.00 29.53 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? 34.381 18.253 -0.407 1.00 29.38 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? 33.390 17.909 -1.062 1.00 28.41 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? 33.385 19.175 1.705 1.00 29.57 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? 32.753 20.480 2.025 1.00 29.30 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? 32.645 21.229 0.733 1.00 29.40 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? 35.558 17.632 -0.465 1.00 29.09 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? 35.790 16.450 -1.285 1.00 29.97 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? 35.690 15.219 -0.399 1.00 29.82 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? 36.498 15.042 0.514 1.00 29.21 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? 37.179 16.511 -1.940 1.00 30.57 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? 37.616 15.299 -2.774 1.00 30.67 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? 36.674 15.066 -3.943 1.00 30.69 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? 39.047 15.465 -3.269 1.00 31.08 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? 34.701 14.368 -0.658 1.00 29.23 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? 34.554 13.139 0.118 1.00 29.30 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? 35.776 12.247 -0.074 1.00 30.70 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? 36.431 12.294 -1.117 1.00 30.46 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? 33.271 12.391 -0.267 1.00 28.83 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? 31.975 13.157 0.027 1.00 28.23 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? 30.768 12.441 -0.560 1.00 28.02 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? 31.789 13.374 1.523 1.00 28.40 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? 36.076 11.444 0.943 1.00 32.33 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? 37.291 10.630 0.949 1.00 33.69 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? 37.195 9.466 -0.036 1.00 34.47 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? 36.099 8.959 -0.290 1.00 32.72 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? 37.570 10.089 2.353 1.00 34.00 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? 37.736 11.116 3.471 1.00 34.90 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? 37.907 10.408 4.806 1.00 35.24 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? 38.909 12.048 3.203 1.00 35.57 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? 38.343 9.037 -0.595 1.00 35.88 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? 38.359 7.883 -1.498 1.00 36.83 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? 37.854 6.615 -0.819 1.00 37.54 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? 37.127 5.834 -1.431 1.00 36.76 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? 39.844 7.732 -1.859 1.00 36.99 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? 40.450 9.059 -1.581 1.00 36.63 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? 39.693 9.603 -0.411 1.00 36.46 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? 38.246 6.421 0.436 1.00 39.41 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? 37.784 5.285 1.218 1.00 40.97 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? 37.984 5.526 2.707 1.00 41.17 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? 38.795 6.358 3.112 1.00 41.18 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? 38.511 4.007 0.796 1.00 42.14 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? 39.910 4.133 0.972 1.00 44.06 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? 37.206 4.804 3.507 1.00 41.72 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? 37.364 4.759 4.955 1.00 42.18 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? 37.252 3.291 5.364 1.00 43.57 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? 36.390 2.567 4.862 1.00 43.06 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? 36.284 5.585 5.685 1.00 42.01 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? 36.481 5.517 7.194 1.00 41.75 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? 36.301 7.035 5.218 1.00 42.03 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? 38.124 2.859 6.271 1.00 44.77 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? 38.176 1.459 6.685 1.00 45.49 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? 37.385 1.230 7.965 1.00 44.66 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? 37.382 2.073 8.863 1.00 45.07 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? 39.628 1.013 6.890 1.00 46.43 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? 40.297 0.894 5.647 1.00 47.69 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? 36.712 0.085 8.032 1.00 43.94 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? 36.030 -0.349 9.245 1.00 43.02 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? 34.704 0.344 9.490 1.00 41.78 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? 34.031 0.775 8.552 1.00 41.47 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? 34.338 0.448 10.765 1.00 40.65 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? 33.058 1.024 11.171 1.00 40.04 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? 32.972 2.525 10.895 1.00 39.20 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? 31.879 3.059 10.706 1.00 39.00 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? 32.803 0.751 12.646 1.00 40.23 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? 34.121 3.201 10.867 1.00 37.89 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? 34.172 4.639 10.595 1.00 36.48 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? 33.603 5.048 9.245 1.00 35.21 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? 33.300 6.223 9.027 1.00 35.20 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? 33.456 4.081 8.343 1.00 34.32 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? 32.863 4.314 7.026 1.00 34.01 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? 31.384 4.722 7.083 1.00 32.90 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? 30.879 5.334 6.142 1.00 33.38 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? 33.014 3.055 6.161 1.00 35.29 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? 32.651 3.239 4.696 1.00 36.96 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? 32.926 1.982 3.888 1.00 39.09 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? 32.711 2.214 2.460 1.00 42.19 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? 33.651 2.578 1.586 1.00 43.18 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? 34.920 2.742 1.957 1.00 44.15 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? 33.317 2.769 0.314 1.00 44.38 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? 30.694 4.390 8.173 1.00 31.88 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? 29.240 4.552 8.232 1.00 31.08 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? 28.773 5.573 9.270 1.00 31.11 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? 29.148 5.507 10.442 1.00 32.67 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? 28.583 3.190 8.465 1.00 30.85 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? 29.148 2.145 7.541 1.00 30.15 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? 28.836 2.152 6.187 1.00 30.21 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? 30.040 1.181 8.008 1.00 30.41 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? 29.371 1.209 5.326 1.00 30.64 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? 30.577 0.232 7.155 1.00 30.33 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? 30.244 0.255 5.816 1.00 30.45 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? 30.772 -0.685 4.965 1.00 31.24 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? 27.961 6.521 8.810 1.00 29.95 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? 27.300 7.494 9.670 1.00 30.06 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? 25.919 6.964 10.041 1.00 29.82 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? 25.201 6.455 9.179 1.00 29.49 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? 27.155 8.831 8.939 1.00 30.30 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? 26.238 9.890 9.564 1.00 30.91 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? 26.743 10.335 10.928 1.00 31.26 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? 26.111 11.080 8.630 1.00 31.29 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? 25.554 7.090 11.316 1.00 29.29 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? 24.212 6.733 11.777 1.00 29.01 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? 23.331 7.977 11.863 1.00 28.32 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? 23.681 8.947 12.540 1.00 28.15 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? 24.274 6.046 13.140 1.00 29.45 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? 25.180 4.816 13.240 1.00 30.02 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? 25.112 4.231 14.639 1.00 30.71 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? 24.816 3.764 12.202 1.00 30.63 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? 22.200 7.941 11.159 1.00 27.51 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? 21.193 8.996 11.212 1.00 27.21 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? 20.008 8.490 12.007 1.00 27.20 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? 19.366 7.518 11.605 1.00 26.78 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? 20.686 9.349 9.815 1.00 27.46 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? 21.730 9.832 8.838 1.00 28.13 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? 20.929 10.636 7.435 1.00 28.98 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? 20.019 9.279 6.695 1.00 28.20 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? 19.708 9.147 13.120 1.00 27.03 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? 18.543 8.800 13.923 1.00 26.93 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? 17.365 9.665 13.503 1.00 26.99 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? 17.361 10.877 13.733 1.00 27.65 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? 18.850 8.975 15.409 1.00 27.39 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? 20.082 8.250 15.843 1.00 27.62 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? 20.100 6.892 16.076 1.00 27.93 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? 21.348 8.685 16.046 1.00 28.06 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? 21.320 6.524 16.422 1.00 28.86 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? 22.096 7.593 16.411 1.00 28.71 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? 16.376 9.035 12.876 1.00 25.97 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? 15.196 9.732 12.384 1.00 25.87 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? 13.974 9.339 13.196 1.00 26.90 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? 13.716 8.151 13.403 1.00 27.50 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? 14.971 9.401 10.911 1.00 25.38 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? 16.155 9.684 9.989 1.00 24.70 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? 15.837 9.218 8.581 1.00 24.31 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? 16.529 11.163 9.988 1.00 24.62 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? 13.224 10.344 13.643 1.00 27.05 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? 12.042 10.137 14.466 1.00 27.59 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? 10.816 10.659 13.743 1.00 27.17 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? 10.789 11.816 13.309 1.00 26.24 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? 12.172 10.874 15.798 1.00 27.40 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? 13.324 10.419 16.638 1.00 27.90 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? 14.623 10.805 16.331 1.00 27.99 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? 13.113 9.623 17.755 1.00 28.28 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? 15.687 10.390 17.111 1.00 28.83 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? 14.174 9.205 18.538 1.00 28.54 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? 15.463 9.589 18.217 1.00 28.73 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? 9.798 9.812 13.624 1.00 27.08 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? 8.539 10.238 13.036 1.00 27.57 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? 7.780 11.127 14.015 1.00 28.73 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? 8.201 11.300 15.163 1.00 28.45 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? 7.707 9.041 12.532 1.00 27.17 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? 7.074 8.214 13.642 1.00 26.94 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? 7.128 8.551 14.824 1.00 26.35 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? 6.448 7.106 13.243 1.00 26.94 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? 6.673 11.695 13.555 1.00 30.36 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? 5.895 12.629 14.364 1.00 32.71 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? 5.516 12.053 15.735 1.00 32.53 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? 5.527 12.770 16.739 1.00 32.27 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? 4.646 13.058 13.599 1.00 33.92 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? 3.746 13.969 14.386 1.00 36.66 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? 3.988 15.341 14.445 1.00 37.90 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? 2.652 13.459 15.076 1.00 37.72 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? 3.156 16.180 15.171 1.00 38.83 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? 1.821 14.286 15.802 1.00 38.65 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? 2.073 15.641 15.844 1.00 39.22 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? 1.236 16.446 16.571 1.00 41.54 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? 5.207 10.760 15.772 1.00 32.14 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? 4.838 10.079 17.018 1.00 33.14 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? 6.025 9.708 17.905 1.00 32.81 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? 5.833 9.185 19.002 1.00 32.49 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? 4.025 8.818 16.708 1.00 34.54 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? 2.674 9.132 16.112 1.00 35.86 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? 2.131 10.218 16.404 1.00 36.37 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? 2.149 8.289 15.356 1.00 37.60 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? 7.244 9.962 17.434 1.00 31.81 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? 8.442 9.713 18.230 1.00 32.01 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? 9.046 8.332 18.050 1.00 31.94 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? 10.021 7.992 18.723 1.00 32.50 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? 8.471 7.529 17.158 1.00 31.58 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? 9.069 6.250 16.783 1.00 32.45 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? 10.272 6.513 15.892 1.00 31.90 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? 10.290 7.497 15.151 1.00 31.85 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? 8.053 5.357 16.070 1.00 34.22 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? 6.982 4.823 17.008 1.00 36.09 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? 7.222 4.631 18.200 1.00 39.63 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? 5.799 4.563 16.468 1.00 38.29 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? 11.273 5.643 15.963 1.00 31.25 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? 12.561 5.933 15.343 1.00 31.04 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? 13.150 4.788 14.531 1.00 29.37 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? 12.933 3.612 14.830 1.00 28.65 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? 13.599 6.370 16.403 1.00 31.96 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? 14.819 6.760 15.759 1.00 32.35 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? 13.882 5.254 17.415 1.00 32.48 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? 13.892 5.165 13.494 1.00 27.83 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? 14.783 4.257 12.791 1.00 26.28 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? 16.178 4.876 12.782 1.00 26.32 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? 16.330 6.097 12.903 1.00 26.16 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? 14.314 3.970 11.344 1.00 25.91 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? 14.318 5.245 10.488 1.00 25.51 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? 12.931 3.336 11.361 1.00 25.91 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? 14.100 4.996 9.009 1.00 25.43 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? 17.190 4.027 12.662 1.00 25.52 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? 18.557 4.481 12.495 1.00 25.71 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? 19.011 4.046 11.116 1.00 25.09 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? 18.935 2.865 10.781 1.00 24.16 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? 19.479 3.900 13.573 1.00 26.55 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? 18.967 4.251 14.864 1.00 27.14 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? 20.893 4.443 13.428 1.00 26.85 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? 19.468 5.009 10.324 1.00 23.85 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? 19.870 4.765 8.945 1.00 23.77 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? 21.389 4.824 8.857 1.00 24.19 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? 22.001 5.791 9.310 1.00 24.82 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? 19.272 5.824 8.000 1.00 23.27 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? 19.664 5.552 6.554 1.00 22.90 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? 17.755 5.865 8.140 1.00 22.87 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? 21.986 3.790 8.273 1.00 23.89 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? 23.436 3.741 8.066 1.00 23.89 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? 23.798 4.330 6.708 1.00 24.07 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? 23.289 3.887 5.675 1.00 23.61 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? 23.943 2.313 8.173 1.00 24.38 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? 24.689 5.322 6.719 1.00 24.11 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? 25.099 6.030 5.511 1.00 24.50 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? 26.609 5.881 5.305 1.00 25.29 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? 27.385 6.123 6.226 1.00 25.51 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? 24.753 7.532 5.613 1.00 24.33 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? 25.192 8.284 4.361 1.00 24.43 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? 23.261 7.722 5.847 1.00 24.43 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? 27.007 5.470 4.103 1.00 26.07 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? 28.417 5.379 3.723 1.00 27.47 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? 28.948 6.801 3.525 1.00 28.09 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? 28.473 7.526 2.648 1.00 27.65 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? 28.562 4.554 2.434 1.00 27.79 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? 30.019 4.374 1.990 1.00 28.47 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? 30.830 5.308 2.132 1.00 29.15 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? 30.347 3.290 1.469 1.00 29.57 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? 29.933 7.192 4.334 1.00 29.06 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? 30.384 8.593 4.368 1.00 29.81 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? 31.235 9.013 3.163 1.00 30.31 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? 31.513 10.201 2.999 1.00 31.57 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? 31.127 8.956 5.679 1.00 29.80 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? 30.260 8.656 6.894 1.00 29.60 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? 32.485 8.261 5.779 1.00 30.16 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? 31.637 8.054 2.328 1.00 30.69 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? 32.427 8.347 1.133 1.00 30.67 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? 31.560 8.741 -0.065 1.00 29.54 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? 32.031 9.429 -0.960 1.00 28.90 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? 33.331 7.156 0.724 1.00 31.68 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? 32.535 6.077 0.214 1.00 32.28 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? 34.161 6.674 1.909 1.00 32.41 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? 30.299 8.303 -0.086 1.00 28.16 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? 29.407 8.583 -1.222 1.00 27.34 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? 27.977 9.011 -0.848 1.00 26.05 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? 27.170 9.286 -1.730 1.00 25.19 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? 29.356 7.367 -2.154 1.00 28.06 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? 28.980 6.087 -1.429 1.00 28.76 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? 28.415 6.119 -0.332 1.00 27.77 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? 29.308 4.949 -2.034 1.00 29.70 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? 27.693 9.085 0.452 1.00 25.65 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? 26.363 9.408 0.992 1.00 26.24 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? 25.272 8.409 0.568 1.00 26.79 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? 24.083 8.749 0.532 1.00 26.07 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? 25.914 10.858 0.659 1.00 26.25 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? 25.037 11.401 1.776 1.00 26.34 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? 27.105 11.787 0.461 1.00 26.72 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? 25.676 7.173 0.277 1.00 27.25 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? 24.732 6.114 -0.088 1.00 28.58 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? 24.178 5.493 1.181 1.00 27.48 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? 24.929 5.175 2.101 1.00 27.74 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? 25.417 5.018 -0.911 1.00 30.01 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? 25.754 5.367 -2.351 1.00 32.82 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? 26.116 4.368 -3.248 1.00 35.27 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? 25.708 6.680 -2.821 1.00 33.98 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? 26.433 4.662 -4.564 1.00 36.83 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? 26.019 6.985 -4.138 1.00 35.27 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? 26.381 5.972 -5.005 1.00 37.52 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? 26.694 6.256 -6.315 1.00 39.82 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? 22.862 5.321 1.234 1.00 27.07 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? 22.242 4.615 2.350 1.00 26.73 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? 22.498 3.121 2.161 1.00 26.23 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? 22.242 2.579 1.088 1.00 25.63 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? 20.731 4.910 2.444 1.00 27.12 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? 20.526 6.376 2.857 1.00 27.79 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? 20.064 3.960 3.434 1.00 27.10 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? 19.083 6.837 2.905 1.00 28.42 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? 23.020 2.475 3.201 1.00 25.86 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? 23.350 1.048 3.161 1.00 26.43 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? 22.208 0.195 3.698 1.00 25.50 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? 21.935 -0.894 3.191 1.00 23.92 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? 24.601 0.777 3.999 1.00 27.92 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? 25.874 1.416 3.461 1.00 29.17 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? 26.356 0.738 1.864 1.00 31.98 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? 25.672 1.934 0.726 1.00 31.93 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? 21.565 0.694 4.745 1.00 24.70 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? 20.524 -0.044 5.439 1.00 24.38 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? 20.028 0.748 6.624 1.00 24.06 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? 20.386 1.915 6.791 1.00 23.80 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? 19.201 0.122 7.449 1.00 23.76 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? 18.628 0.806 8.596 1.00 23.96 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? 18.173 -0.190 9.648 1.00 24.46 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? 17.987 -1.372 9.362 1.00 24.61 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? 17.449 1.695 8.170 1.00 23.94 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? 16.372 0.943 7.431 1.00 23.91 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? 16.480 0.708 6.064 1.00 23.80 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? 15.253 0.448 8.097 1.00 23.82 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? 15.508 0.009 5.381 1.00 23.54 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? 14.275 -0.259 7.421 1.00 23.59 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? 14.409 -0.474 6.061 1.00 23.52 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? 13.453 -1.174 5.373 1.00 23.57 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? 18.003 0.311 10.862 1.00 25.01 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? 17.542 -0.477 11.990 1.00 26.07 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? 16.168 0.027 12.408 1.00 26.40 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? 15.974 1.230 12.599 1.00 26.17 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? 18.519 -0.336 13.156 1.00 27.01 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? 18.150 -1.031 14.469 1.00 27.31 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? 18.224 -2.540 14.301 1.00 27.70 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? 19.063 -0.574 15.594 1.00 27.83 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? 15.222 -0.897 12.546 1.00 26.81 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? 13.878 -0.577 13.010 1.00 27.75 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? 13.516 -1.533 14.143 1.00 29.19 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? 13.293 -2.722 13.916 1.00 27.48 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? 12.883 -0.685 11.869 1.00 28.06 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? 13.474 -0.991 15.361 1.00 31.18 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? 13.360 -1.774 16.595 1.00 32.89 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? 14.506 -2.797 16.721 1.00 32.25 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? 15.643 -2.410 16.996 1.00 33.43 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? 11.962 -2.403 16.729 1.00 34.82 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? 11.627 -3.176 18.017 1.00 36.26 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? 12.193 -2.520 19.269 1.00 36.87 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? 10.123 -3.353 18.148 1.00 36.99 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? 14.229 -4.082 16.513 1.00 31.60 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? 15.245 -5.121 16.692 1.00 30.50 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? 15.550 -5.837 15.376 1.00 28.94 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? 16.196 -6.887 15.367 1.00 30.23 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? 14.809 -6.149 17.756 1.00 30.40 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? 13.574 -6.761 17.362 1.00 30.68 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? 14.632 -5.473 19.113 1.00 30.76 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? 15.098 -5.260 14.266 1.00 27.98 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? 15.348 -5.829 12.952 1.00 26.91 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? 16.171 -4.856 12.121 1.00 25.93 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? 15.822 -3.678 12.010 1.00 24.94 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? 14.035 -6.138 12.210 1.00 27.37 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? 13.205 -6.978 13.020 1.00 28.08 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? 14.310 -6.844 10.893 1.00 27.55 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? 17.261 -5.352 11.541 1.00 25.10 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? 18.051 -4.571 10.599 1.00 24.96 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? 17.658 -4.929 9.169 1.00 24.71 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? 17.225 -6.047 8.891 1.00 24.45 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? 19.552 -4.789 10.822 1.00 25.23 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? 19.947 -6.100 10.470 1.00 25.17 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? 17.800 -3.961 8.272 1.00 24.31 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? 17.449 -4.122 6.865 1.00 24.07 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? 18.573 -3.534 6.020 1.00 23.90 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? 18.967 -2.394 6.244 1.00 24.16 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? 16.152 -3.363 6.556 1.00 24.60 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? 14.958 -3.801 7.383 1.00 25.05 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? 14.744 -3.288 8.661 1.00 25.20 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? 14.050 -4.727 6.891 1.00 25.59 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? 13.655 -3.683 9.419 1.00 25.43 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? 12.961 -5.132 7.644 1.00 26.07 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? 12.769 -4.606 8.906 1.00 25.55 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? 11.689 -5.007 9.656 1.00 27.27 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? 19.077 -4.301 5.056 1.00 23.85 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? 20.145 -3.840 4.166 1.00 23.90 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? 19.779 -4.073 2.713 1.00 23.95 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? 19.102 -5.048 2.388 1.00 24.68 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? 21.452 -4.575 4.479 1.00 24.22 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? 22.018 -4.249 5.826 1.00 24.14 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? 22.909 -3.195 5.981 1.00 24.57 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? 21.664 -4.989 6.936 1.00 23.94 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? 23.431 -2.890 7.226 1.00 24.88 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? 22.182 -4.691 8.183 1.00 24.39 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? 23.065 -3.636 8.329 1.00 24.39 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? 20.233 -3.178 1.840 1.00 24.29 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? 20.060 -3.358 0.402 1.00 24.49 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? 20.785 -4.606 -0.084 1.00 25.61 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? 21.788 -5.021 0.498 1.00 25.08 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? 20.566 -2.135 -0.367 1.00 24.29 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? 19.656 -0.943 -0.274 1.00 24.30 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? 18.338 -1.032 -0.706 1.00 24.15 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? 20.114 0.269 0.224 1.00 24.67 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? 17.491 0.056 -0.627 1.00 24.57 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? 19.271 1.370 0.298 1.00 24.46 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? 17.957 1.262 -0.128 1.00 24.58 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? 20.274 -5.191 -1.160 1.00 27.04 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? 20.866 -6.386 -1.744 1.00 28.46 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? 21.983 -5.968 -2.694 1.00 29.04 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? 21.811 -5.930 -3.909 1.00 29.08 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? 19.785 -7.211 -2.456 1.00 28.56 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? 20.268 -8.584 -2.906 1.00 29.11 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? 19.750 -9.130 -3.876 1.00 30.91 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? 21.239 -9.152 -2.204 1.00 28.99 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? 23.126 -5.624 -2.112 1.00 30.50 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? 24.286 -5.164 -2.875 1.00 30.49 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? 25.538 -5.346 -2.019 1.00 30.11 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? 25.453 -5.297 -0.790 1.00 29.61 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? 24.113 -3.697 -3.276 1.00 31.41 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? 23.997 -2.752 -2.089 1.00 32.88 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? 23.629 -1.330 -2.467 1.00 34.64 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? 22.835 -1.120 -3.405 1.00 33.85 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? 24.132 -0.403 -1.795 1.00 38.86 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? 26.703 -5.567 -2.658 1.00 30.28 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? 27.929 -5.870 -1.904 1.00 30.30 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? 28.328 -4.822 -0.864 1.00 30.34 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? 28.759 -5.180 0.233 1.00 30.44 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? 28.996 -5.974 -2.997 1.00 30.42 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? 28.250 -6.359 -4.219 1.00 30.41 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? 26.912 -5.687 -4.113 1.00 29.92 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? 28.182 -3.545 -1.201 1.00 30.82 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? 28.520 -2.466 -0.275 1.00 30.88 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? 27.682 -2.529 1.002 1.00 30.59 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? 28.185 -2.260 2.089 1.00 29.67 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? 28.351 -1.115 -0.949 1.00 31.25 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? 26.407 -2.892 0.863 1.00 30.00 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? 25.496 -2.969 2.003 1.00 30.73 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? 25.768 -4.200 2.864 1.00 31.37 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? 25.695 -4.128 4.091 1.00 30.38 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? 24.050 -2.967 1.527 1.00 30.36 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? 26.067 -5.331 2.225 1.00 32.59 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? 26.438 -6.535 2.965 1.00 34.56 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? 27.703 -6.282 3.774 1.00 33.19 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? 27.797 -6.703 4.923 1.00 32.58 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? 26.648 -7.735 2.039 1.00 36.97 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? 27.076 -8.985 2.799 1.00 39.02 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? 26.373 -9.382 3.754 1.00 41.70 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? 28.126 -9.561 2.452 1.00 42.19 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? 28.670 -5.591 3.171 1.00 33.40 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? 29.877 -5.187 3.888 1.00 32.98 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? 29.512 -4.328 5.094 1.00 31.43 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? 30.010 -4.559 6.191 1.00 30.62 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? 30.836 -4.425 2.968 1.00 34.48 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? 32.146 -3.922 3.589 1.00 35.62 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? 33.008 -5.077 4.076 1.00 36.56 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? 32.911 -3.074 2.586 1.00 36.32 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? 28.636 -3.344 4.890 1.00 30.23 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? 28.165 -2.500 5.991 1.00 29.23 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? 27.543 -3.326 7.117 1.00 29.15 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? 27.732 -3.016 8.293 1.00 28.53 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? 27.173 -1.458 5.488 1.00 28.97 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? 26.828 -4.392 6.761 1.00 29.17 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? 26.172 -5.238 7.765 1.00 30.07 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? 27.169 -5.951 8.694 1.00 32.12 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? 26.787 -6.448 9.750 1.00 31.29 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? 25.226 -6.250 7.102 1.00 29.83 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? 25.919 -7.365 6.561 1.00 29.05 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? 28.443 -5.983 8.306 1.00 34.51 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? 29.501 -6.493 9.179 1.00 36.22 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? 29.822 -5.537 10.329 1.00 36.73 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? 30.375 -5.959 11.348 1.00 36.75 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? 30.781 -6.754 8.377 1.00 38.26 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? 30.621 -7.759 7.248 1.00 39.90 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? 31.954 -8.237 6.697 1.00 42.03 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? 32.870 -8.558 7.454 1.00 45.04 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? 32.067 -8.297 5.374 1.00 43.19 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? 29.476 -4.259 10.170 1.00 36.37 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? 29.874 -3.223 11.124 1.00 36.09 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? 28.730 -2.551 11.892 1.00 35.27 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? 28.914 -2.186 13.053 1.00 35.89 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? 30.713 -2.166 10.402 1.00 36.89 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? 31.973 -2.741 9.805 1.00 37.41 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? 33.101 -2.957 10.592 1.00 38.54 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? 32.033 -3.091 8.461 1.00 37.95 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? 34.257 -3.497 10.054 1.00 38.91 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? 33.184 -3.633 7.912 1.00 39.17 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? 34.293 -3.831 8.712 1.00 39.13 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? 35.438 -4.368 8.168 1.00 40.32 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? 27.565 -2.383 11.264 1.00 32.89 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? 26.453 -1.666 11.907 1.00 32.21 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? 25.254 -2.566 12.204 1.00 31.74 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? 25.001 -3.534 11.488 1.00 31.32 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? 25.978 -0.444 11.085 1.00 31.93 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? 27.108 0.565 10.933 1.00 32.21 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? 25.433 -0.851 9.719 1.00 31.80 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? 24.535 -2.224 13.271 1.00 31.49 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? 23.301 -2.912 13.682 1.00 32.26 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? 23.501 -4.396 13.986 1.00 33.97 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? 22.574 -5.196 13.838 1.00 34.10 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? 22.197 -2.742 12.627 1.00 31.36 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? 22.050 -1.337 12.110 1.00 30.87 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? 22.119 -0.243 12.970 1.00 30.68 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? 21.814 -1.108 10.759 1.00 30.39 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? 21.979 1.048 12.486 1.00 29.92 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? 21.671 0.181 10.273 1.00 30.26 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? 21.753 1.260 11.138 1.00 30.10 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? 24.700 -4.750 14.438 1.00 36.07 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? 25.043 -6.143 14.726 1.00 38.63 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? 24.221 -6.731 15.879 1.00 38.52 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? 23.996 -7.940 15.925 1.00 38.43 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? 26.537 -6.256 15.034 1.00 40.10 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? 27.434 -5.999 13.830 1.00 41.84 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? 27.532 -7.221 12.931 1.00 43.74 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? 28.007 -8.386 13.676 1.00 45.03 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? 29.271 -8.605 14.035 1.00 46.52 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? 29.572 -9.702 14.722 1.00 46.51 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? 30.240 -7.746 13.721 1.00 46.92 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? 23.766 -5.873 16.790 1.00 38.55 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? 22.956 -6.299 17.934 1.00 38.33 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? 21.474 -6.524 17.597 1.00 36.42 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? 20.703 -6.927 18.465 1.00 36.37 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? 23.080 -5.284 19.072 1.00 39.89 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? 22.739 -3.983 18.634 1.00 42.12 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? 21.075 -6.264 16.351 1.00 34.89 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? 19.723 -6.591 15.891 1.00 33.85 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? 19.458 -8.084 16.058 1.00 33.87 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? 20.348 -8.904 15.831 1.00 33.64 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? 19.541 -6.192 14.433 1.00 33.37 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? 18.243 -8.425 16.416 1.00 34.46 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? 17.859 -9.802 16.614 1.00 35.57 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 17.793 -10.566 15.318 1.00 33.47 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 18.048 -11.713 15.273 1.00 33.10 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 16.520 -9.882 17.328 1.00 37.81 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? 16.565 -9.564 18.801 1.00 40.66 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 15.218 -9.855 19.437 1.00 43.41 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 15.172 -11.183 20.036 1.00 45.83 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 14.499 -12.220 19.554 1.00 48.18 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 13.774 -12.100 18.455 1.00 49.42 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 14.535 -13.379 20.184 1.00 48.78 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? 17.438 -9.902 14.256 1.00 32.31 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 17.474 -10.497 12.920 1.00 31.35 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? 17.843 -9.461 11.870 1.00 29.79 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? 17.641 -8.261 12.068 1.00 29.53 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 16.127 -11.141 12.566 1.00 33.22 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 14.939 -10.208 12.732 1.00 34.33 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 13.705 -10.691 11.983 1.00 35.64 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 12.680 -9.648 11.937 1.00 37.21 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 11.484 -9.766 11.358 1.00 38.57 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 11.118 -10.894 10.756 1.00 39.02 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 10.641 -8.738 11.389 1.00 39.63 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? 18.384 -9.945 10.760 1.00 28.01 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? 18.765 -9.102 9.642 1.00 27.67 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? 18.020 -9.562 8.408 1.00 27.13 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 18.118 -10.728 8.022 1.00 27.47 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? 20.267 -9.189 9.382 1.00 28.02 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? 20.712 -8.429 8.143 1.00 28.01 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? 22.220 -8.420 7.994 1.00 28.95 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? 22.746 -9.729 7.434 1.00 29.05 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? 24.216 -9.630 7.223 1.00 29.97 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? 17.280 -8.640 7.799 1.00 25.74 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? 16.609 -8.885 6.532 1.00 24.94 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? 17.373 -8.177 5.417 1.00 24.86 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? 17.695 -6.988 5.524 1.00 25.15 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? 15.141 -8.396 6.581 1.00 25.13 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 14.335 -9.286 7.537 1.00 25.55 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? 14.529 -8.385 5.183 1.00 25.23 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 12.937 -8.790 7.859 1.00 25.71 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? 17.674 -8.910 4.354 1.00 24.66 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? 18.220 -8.303 3.152 1.00 25.22 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? 17.041 -7.952 2.262 1.00 25.10 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? 16.260 -8.824 1.889 1.00 24.78 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? 19.194 -9.242 2.415 1.00 25.66 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? 20.262 -9.608 3.300 1.00 25.67 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? 19.779 -8.566 1.183 1.00 25.93 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? 16.909 -6.668 1.938 1.00 24.79 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? 15.823 -6.199 1.076 1.00 25.20 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? 15.955 -6.819 -0.310 1.00 25.62 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? 17.070 -7.096 -0.752 1.00 26.13 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? 15.845 -4.674 0.966 1.00 24.72 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? 15.628 -3.913 2.275 1.00 25.30 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? 15.991 -2.444 2.096 1.00 24.98 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? 14.194 -4.068 2.762 1.00 25.34 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? 14.824 -7.040 -1.007 1.00 25.40 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? 14.863 -7.709 -2.311 1.00 25.86 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? 15.177 -6.767 -3.482 1.00 26.54 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? 14.619 -6.912 -4.574 1.00 27.33 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 13.449 -8.294 -2.427 1.00 25.70 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 12.598 -7.311 -1.704 1.00 25.42 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? 13.436 -6.798 -0.562 1.00 25.82 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? 16.078 -5.815 -3.246 1.00 26.07 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? 16.549 -4.901 -4.278 1.00 26.34 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? 17.796 -4.184 -3.782 1.00 26.49 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? 18.030 -4.086 -2.573 1.00 25.73 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? 15.470 -3.870 -4.652 1.00 25.96 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? 14.598 -3.429 -3.492 1.00 25.38 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? 15.078 -2.557 -2.518 1.00 25.46 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? 13.286 -3.888 -3.373 1.00 25.38 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? 14.281 -2.161 -1.458 1.00 25.04 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? 12.478 -3.494 -2.319 1.00 25.16 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? 12.975 -2.631 -1.367 1.00 24.84 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? 12.178 -2.244 -0.319 1.00 24.35 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? 18.594 -3.696 -4.725 1.00 27.11 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? 19.713 -2.815 -4.410 1.00 27.86 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? 19.185 -1.406 -4.147 1.00 27.87 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? 17.990 -1.137 -4.304 1.00 26.88 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? 20.713 -2.789 -5.561 1.00 28.45 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? 20.130 -2.212 -6.708 1.00 29.82 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? 20.080 -0.509 -3.750 1.00 28.82 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? 19.695 0.842 -3.371 1.00 29.31 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? 19.658 1.842 -4.507 1.00 30.61 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? 19.355 3.013 -4.289 1.00 30.60 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? 19.963 1.409 -5.724 1.00 31.66 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? 20.000 2.354 -6.831 1.00 33.72 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? 18.598 2.751 -7.305 1.00 32.69 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? 17.654 1.957 -7.234 1.00 31.62 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? 20.883 1.844 -7.968 1.00 36.28 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? 20.262 0.708 -8.743 1.00 37.87 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? 19.388 0.918 -9.586 1.00 39.96 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? 20.750 -0.502 -8.501 1.00 40.34 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? 18.476 3.991 -7.768 1.00 31.29 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? 17.177 4.563 -8.118 1.00 31.34 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? 16.370 3.696 -9.079 1.00 32.20 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? 15.161 3.543 -8.904 1.00 31.01 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? 17.343 5.964 -8.716 1.00 30.43 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? 17.536 7.078 -7.702 1.00 29.86 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? 16.789 7.123 -6.527 1.00 29.52 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? 18.432 8.117 -7.946 1.00 29.54 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? 16.947 8.151 -5.613 1.00 29.28 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? 18.599 9.151 -7.035 1.00 29.05 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? 17.853 9.162 -5.871 1.00 28.91 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? 18.002 10.183 -4.963 1.00 27.59 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? 17.028 3.130 -10.085 1.00 34.09 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? 16.318 2.327 -11.082 1.00 36.33 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? 15.634 1.111 -10.451 1.00 34.76 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? 14.463 0.849 -10.722 1.00 34.80 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? 17.256 1.888 -12.213 1.00 39.04 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? 17.785 3.024 -13.083 1.00 41.93 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? 16.753 3.589 -14.047 1.00 44.75 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? 15.697 4.074 -13.585 1.00 46.78 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? 17.010 3.576 -15.272 1.00 46.10 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? 16.354 0.389 -9.597 1.00 34.18 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? 15.803 -0.808 -8.953 1.00 33.77 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? 14.727 -0.486 -7.923 1.00 32.14 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? 13.746 -1.215 -7.802 1.00 30.57 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? 16.912 -1.637 -8.294 1.00 35.40 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? 17.918 -2.218 -9.274 1.00 37.48 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? 17.308 -3.284 -10.173 1.00 39.96 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? 18.173 -3.588 -11.314 1.00 43.28 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? 17.882 -4.462 -12.276 1.00 45.49 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? 18.742 -4.659 -13.271 1.00 46.37 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? 16.739 -5.142 -12.256 1.00 46.64 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? 14.920 0.596 -7.173 1.00 30.60 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? 13.925 1.035 -6.198 1.00 28.84 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? 12.613 1.429 -6.865 1.00 28.39 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? 11.540 1.092 -6.368 1.00 28.38 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? 14.453 2.209 -5.378 1.00 27.95 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? 15.453 1.857 -4.282 1.00 27.34 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? 16.107 3.122 -3.752 1.00 27.12 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? 14.776 1.097 -3.152 1.00 27.31 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? 12.713 2.147 -7.981 1.00 29.03 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? 11.543 2.566 -8.758 1.00 29.34 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? 10.785 1.370 -9.332 1.00 29.87 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? 9.554 1.374 -9.369 1.00 29.39 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? 11.967 3.517 -9.882 1.00 29.82 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? 12.355 4.902 -9.372 1.00 29.69 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? 12.895 5.861 -10.429 1.00 30.27 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? 13.102 7.038 -10.134 1.00 30.34 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? 13.116 5.382 -11.653 1.00 30.98 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? 11.524 0.354 -9.773 1.00 30.33 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? 10.925 -0.897 -10.245 1.00 30.62 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? 10.160 -1.577 -9.106 1.00 30.05 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? 9.011 -1.974 -9.276 1.00 30.02 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? 11.992 -1.842 -10.850 1.00 31.74 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? 12.452 -1.303 -12.212 1.00 32.51 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? 11.451 -3.257 -11.017 1.00 32.00 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? 13.724 -1.928 -12.743 1.00 33.08 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? 10.795 -1.692 -7.942 1.00 29.88 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? 10.156 -2.301 -6.775 1.00 29.98 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? 8.941 -1.504 -6.304 1.00 30.49 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? 7.911 -2.084 -5.961 1.00 30.59 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? 11.158 -2.458 -5.641 1.00 30.04 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? 9.063 -0.179 -6.301 1.00 30.19 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? 7.981 0.704 -5.865 1.00 30.49 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? 6.822 0.754 -6.865 1.00 31.84 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? 5.684 1.062 -6.493 1.00 31.97 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? 8.520 2.104 -5.615 1.00 30.57 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? 7.116 0.461 -8.129 1.00 33.08 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? 6.102 0.454 -9.178 1.00 34.34 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? 5.830 1.827 -9.764 1.00 35.55 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? 4.813 2.031 -10.426 1.00 35.87 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? 6.735 2.772 -9.523 1.00 36.04 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? 6.610 4.111 -10.090 1.00 35.95 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? 7.942 4.861 -10.060 1.00 34.62 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? 8.770 4.629 -9.175 1.00 33.04 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? 5.527 4.910 -9.358 1.00 37.55 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? 5.704 5.004 -7.851 1.00 38.67 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? 4.375 5.203 -7.133 1.00 40.45 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? 3.601 6.405 -7.657 1.00 41.86 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? 2.411 6.721 -6.814 1.00 43.02 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? 8.155 5.760 -11.036 1.00 33.93 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? 9.354 6.583 -11.015 1.00 33.83 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? 9.202 7.673 -9.967 1.00 33.57 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? 8.080 8.071 -9.642 1.00 33.64 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? 9.388 7.182 -12.420 1.00 33.81 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? 7.956 7.294 -12.799 1.00 33.91 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? 7.257 6.131 -12.147 1.00 34.06 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? 10.316 8.167 -9.448 1.00 33.47 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? 10.246 9.138 -8.365 1.00 32.74 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? 9.765 10.521 -8.830 1.00 32.85 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? 9.459 11.375 -8.004 1.00 31.56 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? 11.569 9.192 -7.605 1.00 33.87 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? 12.725 9.787 -8.371 1.00 33.16 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? 14.037 9.364 -7.740 1.00 32.97 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? 15.148 10.140 -8.272 1.00 33.30 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? 15.774 9.894 -9.422 1.00 33.02 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? 15.413 8.877 -10.198 1.00 33.97 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? 16.778 10.677 -9.796 1.00 31.62 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? 9.656 10.731 -10.143 1.00 32.70 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? 8.934 11.895 -10.672 1.00 33.96 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? 7.483 11.938 -10.186 1.00 32.97 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? 6.884 13.008 -10.114 1.00 33.84 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? 8.927 11.902 -12.208 1.00 35.32 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? 10.230 12.348 -12.854 1.00 36.75 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? 11.218 11.220 -13.068 1.00 37.44 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? 11.103 10.173 -12.397 1.00 38.38 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? 12.121 11.386 -13.913 1.00 39.42 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? 6.925 10.770 -9.875 1.00 32.70 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? 5.527 10.636 -9.470 1.00 32.82 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? 5.343 10.503 -7.958 1.00 31.38 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? 4.208 10.421 -7.492 1.00 31.03 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? 4.918 9.397 -10.127 1.00 34.13 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? 4.910 9.405 -11.648 1.00 35.97 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? 3.665 10.065 -12.224 1.00 37.68 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? 3.147 9.308 -13.438 1.00 39.51 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? 4.155 9.171 -14.528 1.00 40.95 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? 6.439 10.456 -7.198 1.00 28.72 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? 6.363 10.245 -5.747 1.00 28.10 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? 6.555 11.579 -5.027 1.00 27.58 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? 7.643 12.156 -5.078 1.00 27.03 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? 7.420 9.231 -5.248 1.00 27.71 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? 7.253 7.889 -5.968 1.00 28.12 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? 7.303 9.034 -3.737 1.00 27.76 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? 8.364 6.890 -5.709 1.00 27.98 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? 5.500 12.078 -4.353 1.00 26.88 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? 5.664 13.318 -3.600 1.00 26.25 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? 6.732 13.196 -2.523 1.00 25.47 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? 6.883 12.136 -1.911 1.00 25.52 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? 4.286 13.537 -2.960 1.00 26.43 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? 3.342 12.745 -3.790 1.00 26.73 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? 4.122 11.560 -4.263 1.00 26.94 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? 7.477 14.275 -2.320 1.00 24.93 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? 8.459 14.346 -1.248 1.00 24.06 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? 8.228 15.605 -0.428 1.00 23.88 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? 7.489 16.506 -0.838 1.00 23.78 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? 9.909 14.276 -1.784 1.00 24.43 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? 10.196 15.416 -2.775 1.00 24.62 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? 10.146 12.919 -2.426 1.00 24.51 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? 11.614 15.437 -3.305 1.00 24.85 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? 8.861 15.649 0.736 1.00 23.67 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? 8.631 16.697 1.712 1.00 23.48 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? 8.791 16.119 3.097 1.00 23.44 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? 9.111 14.932 3.254 1.00 23.21 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? 8.569 16.945 4.110 1.00 22.97 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? 8.690 16.477 5.484 1.00 23.33 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? 7.539 15.544 5.880 1.00 23.16 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? 7.779 14.555 6.563 1.00 23.81 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? 8.838 17.646 6.464 1.00 23.73 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? 10.103 18.497 6.283 1.00 23.82 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? 10.193 19.566 7.358 1.00 24.16 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? 11.363 17.639 6.294 1.00 24.13 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? 6.297 15.838 5.444 1.00 22.96 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? 5.250 14.840 5.700 1.00 22.65 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? 5.543 13.482 5.056 1.00 22.33 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? 5.326 12.448 5.687 1.00 22.83 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? 3.997 15.485 5.099 1.00 22.97 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? 4.255 16.948 5.208 1.00 23.13 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? 5.730 17.096 4.930 1.00 22.84 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? 6.050 13.490 3.825 1.00 21.75 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? 6.437 12.255 3.147 1.00 22.04 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? 7.535 11.523 3.917 1.00 22.17 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? 7.531 10.300 3.977 1.00 21.50 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? 6.887 12.530 1.718 1.00 21.94 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? 8.465 12.272 4.511 1.00 22.58 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? 9.533 11.669 5.308 1.00 23.44 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? 8.969 11.025 6.574 1.00 24.40 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? 9.385 9.929 6.955 1.00 23.59 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? 10.615 12.699 5.653 1.00 23.48 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? 11.792 12.216 6.515 1.00 23.64 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? 12.434 10.960 5.945 1.00 23.28 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? 12.828 13.317 6.657 1.00 23.61 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? 8.016 11.699 7.216 1.00 24.94 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? 7.285 11.105 8.340 1.00 26.73 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? 6.634 9.776 7.938 1.00 25.63 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? 6.743 8.785 8.664 1.00 25.09 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? 6.221 12.077 8.865 1.00 28.47 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? 5.426 11.507 10.025 1.00 30.54 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? 6.033 11.137 11.043 1.00 32.02 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? 4.190 11.432 9.918 1.00 34.86 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? 5.971 9.757 6.780 1.00 25.88 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? 5.371 8.527 6.243 1.00 26.32 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? 6.422 7.451 6.005 1.00 25.28 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? 6.192 6.277 6.305 1.00 24.25 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? 4.659 8.771 4.895 1.00 27.18 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? 3.661 9.780 5.054 1.00 30.76 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? 3.997 7.508 4.377 1.00 28.22 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? 7.556 7.853 5.436 1.00 24.63 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? 8.623 6.915 5.081 1.00 24.48 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? 9.162 6.213 6.320 1.00 24.32 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? 9.327 4.994 6.333 1.00 23.90 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? 9.750 7.644 4.356 1.00 24.51 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? 9.424 6.990 7.364 1.00 24.00 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? 9.920 6.447 8.621 1.00 24.17 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? 8.915 5.431 9.153 1.00 24.82 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? 9.278 4.302 9.491 1.00 25.61 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? 10.158 7.562 9.661 1.00 23.43 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? 11.316 8.460 9.215 1.00 23.21 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? 10.471 6.977 11.027 1.00 23.42 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? 11.285 9.852 9.797 1.00 22.89 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? 7.648 5.836 9.200 1.00 25.46 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? 6.573 4.969 9.682 1.00 26.19 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? 6.487 3.660 8.903 1.00 25.76 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? 6.342 2.595 9.498 1.00 25.70 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? 5.234 5.708 9.635 1.00 27.11 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? 5.252 6.794 10.544 1.00 27.98 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? 6.591 3.742 7.579 1.00 24.79 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? 6.552 2.558 6.725 1.00 25.11 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? 7.707 1.606 7.018 1.00 24.55 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? 7.526 0.387 7.073 1.00 24.50 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? 6.595 2.950 5.235 1.00 25.20 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? 5.364 3.590 4.879 1.00 26.17 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? 6.797 1.727 4.338 1.00 26.15 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? 8.896 2.164 7.206 1.00 23.76 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? 10.084 1.344 7.416 1.00 24.61 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? 10.106 0.663 8.785 1.00 25.41 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? 10.856 -0.291 8.986 1.00 25.28 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? 11.348 2.176 7.197 1.00 24.33 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? 11.518 2.726 5.776 1.00 24.31 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? 12.765 3.593 5.720 1.00 24.79 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? 11.591 1.630 4.722 1.00 24.60 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? 9.273 1.128 9.714 1.00 26.62 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? 9.185 0.500 11.034 1.00 28.61 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? 8.694 -0.950 10.985 1.00 30.27 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? 9.057 -1.752 11.850 1.00 30.74 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? 8.292 1.316 11.974 1.00 29.53 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? 8.910 2.609 12.514 1.00 30.44 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? 7.830 3.509 13.091 1.00 31.08 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? 9.968 2.308 13.563 1.00 31.14 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? 7.877 -1.285 9.988 1.00 30.42 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? 7.392 -2.661 9.827 1.00 32.15 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? 7.545 -3.139 8.395 1.00 31.00 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? 7.069 -2.499 7.462 1.00 32.98 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? 5.940 -2.774 10.281 1.00 33.25 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? 5.749 -2.432 11.723 1.00 35.10 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? 5.239 -1.221 12.137 1.00 36.36 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? 6.052 -3.119 12.849 1.00 35.83 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? 5.208 -1.188 13.457 1.00 36.22 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? 5.698 -2.327 13.914 1.00 36.58 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? 8.194 -4.287 8.239 1.00 29.78 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? 8.629 -4.755 6.934 1.00 27.83 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 7.496 -4.894 5.914 1.00 27.88 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 6.492 -5.560 6.155 1.00 26.81 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 9.375 -6.082 7.072 1.00 27.23 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 9.893 -6.608 5.759 1.00 26.28 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? 10.798 -5.874 4.996 1.00 25.76 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 9.482 -7.841 5.280 1.00 25.93 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? 11.270 -6.358 3.789 1.00 25.44 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 9.946 -8.330 4.078 1.00 25.77 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 10.844 -7.592 3.339 1.00 25.22 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 11.302 -8.093 2.146 1.00 24.41 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? 7.695 -4.255 4.770 1.00 27.01 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 6.813 -4.358 3.625 1.00 27.83 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? 7.673 -3.891 2.455 1.00 26.78 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? 7.858 -2.694 2.269 1.00 26.70 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 5.586 -3.460 3.834 1.00 29.32 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 4.606 -3.498 2.674 1.00 30.92 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 5.023 -3.615 1.503 1.00 30.67 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 3.388 -3.375 2.941 1.00 35.38 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 8.217 -4.837 1.689 1.00 26.40 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? 9.288 -4.516 0.729 1.00 26.49 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? 8.837 -3.571 -0.389 1.00 26.28 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? 9.591 -2.685 -0.802 1.00 24.50 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? 9.926 -5.788 0.151 1.00 26.82 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 9.091 -6.433 -0.790 1.00 28.19 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? 7.611 -3.752 -0.871 1.00 25.95 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? 7.065 -2.867 -1.901 1.00 26.21 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? 6.858 -1.453 -1.361 1.00 25.06 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? 7.262 -0.489 -2.001 1.00 25.57 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? 5.749 -3.415 -2.478 1.00 27.08 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 6.007 -4.685 -3.086 1.00 28.13 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? 5.163 -2.463 -3.523 1.00 27.24 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? 6.247 -1.338 -0.186 1.00 24.39 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? 6.058 -0.030 0.458 1.00 24.00 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? 7.403 0.601 0.821 1.00 23.46 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? 7.592 1.809 0.675 1.00 23.18 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? 5.192 -0.160 1.699 1.00 23.80 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? 8.332 -0.225 1.294 1.00 23.21 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? 9.659 0.249 1.692 1.00 22.77 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? 10.444 0.864 0.536 1.00 22.94 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? 11.195 1.813 0.744 1.00 22.65 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? 10.457 -0.876 2.326 1.00 22.38 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? 10.283 0.325 -0.671 1.00 23.27 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? 10.952 0.882 -1.850 1.00 23.14 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? 10.597 2.356 -2.044 1.00 22.92 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? 11.480 3.202 -2.234 1.00 22.55 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? 10.603 0.086 -3.093 1.00 23.38 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? 9.304 2.658 -1.992 1.00 22.24 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? 8.825 4.030 -2.100 1.00 22.23 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? 9.309 4.895 -0.953 1.00 22.32 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? 9.746 6.026 -1.167 1.00 22.49 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? 9.246 4.357 0.262 1.00 21.68 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? 9.712 5.071 1.449 1.00 21.77 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? 11.200 5.410 1.334 1.00 21.75 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? 11.622 6.513 1.677 1.00 21.39 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? 9.451 4.253 2.702 1.00 21.39 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? 11.986 4.458 0.838 1.00 22.16 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? 13.419 4.660 0.684 1.00 22.42 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? 13.729 5.699 -0.396 1.00 22.52 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? 14.669 6.481 -0.244 1.00 22.17 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? 14.132 3.328 0.416 1.00 22.86 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? 14.177 2.408 1.643 1.00 22.89 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? 14.437 0.961 1.236 1.00 23.13 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? 15.224 2.874 2.638 1.00 23.01 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? 12.929 5.739 -1.461 1.00 22.61 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? 13.073 6.797 -2.467 1.00 22.64 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? 12.854 8.170 -1.837 1.00 22.49 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? 13.607 9.103 -2.105 1.00 21.46 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? 12.124 6.582 -3.651 1.00 22.87 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? 12.517 5.430 -4.583 1.00 22.96 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? 11.402 5.116 -5.569 1.00 23.59 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? 13.805 5.744 -5.325 1.00 23.24 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? 11.850 8.278 -0.971 1.00 22.33 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? 11.608 9.518 -0.236 1.00 22.60 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? 12.765 9.818 0.723 1.00 22.69 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? 13.254 10.950 0.783 1.00 22.20 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? 10.278 9.464 0.544 1.00 22.40 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? 10.128 10.665 1.469 1.00 22.19 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? 9.105 9.394 -0.425 1.00 22.60 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? 13.190 8.799 1.464 1.00 22.43 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? 14.245 8.938 2.465 1.00 23.11 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? 15.560 9.425 1.862 1.00 23.24 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? 16.185 10.354 2.385 1.00 22.31 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? 14.476 7.602 3.173 1.00 23.80 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? 15.647 7.515 4.154 1.00 24.68 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? 15.372 8.360 5.381 1.00 25.61 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? 15.910 6.063 4.534 1.00 25.55 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? 15.968 8.792 0.765 1.00 22.83 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? 17.234 9.113 0.106 1.00 23.12 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 17.257 10.566 -0.358 1.00 23.22 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 18.253 11.267 -0.175 1.00 22.82 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? 17.494 8.174 -1.094 1.00 23.39 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? 17.841 6.768 -0.587 1.00 23.88 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? 18.620 8.708 -1.975 1.00 23.53 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? 17.671 5.682 -1.627 1.00 24.13 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? 16.151 11.011 -0.947 1.00 22.98 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? 16.074 12.358 -1.502 1.00 23.19 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? 15.986 13.444 -0.439 1.00 22.97 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? 16.527 14.533 -0.624 1.00 23.16 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? 14.886 12.470 -2.445 1.00 23.32 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? 14.987 11.555 -3.652 1.00 22.71 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? 13.798 11.721 -4.563 1.00 23.22 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? 12.796 11.009 -4.434 1.00 23.46 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? 13.880 12.681 -5.463 1.00 22.80 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? 15.303 13.157 0.665 1.00 22.58 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? 15.128 14.148 1.727 1.00 22.62 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? 16.307 14.191 2.705 1.00 23.33 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? 16.341 15.047 3.590 1.00 23.41 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? 13.817 13.924 2.517 1.00 22.15 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? 13.786 12.594 3.043 1.00 22.32 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? 12.601 14.144 1.624 1.00 22.23 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? 17.266 13.276 2.557 1.00 23.80 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? 18.462 13.279 3.399 1.00 24.32 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? 19.709 13.450 2.524 1.00 23.92 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? 20.219 14.563 2.384 1.00 23.64 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? 18.546 12.022 4.298 1.00 24.43 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? 18.637 10.836 3.497 1.00 24.19 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? 17.320 11.929 5.203 1.00 24.64 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? 20.165 12.366 1.903 1.00 23.74 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? 21.389 12.383 1.090 1.00 23.71 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? 21.397 13.452 -0.007 1.00 23.69 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? 22.355 14.223 -0.119 1.00 22.80 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? 21.636 11.009 0.484 1.00 23.95 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? 20.337 13.510 -0.809 1.00 23.65 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? 20.313 14.424 -1.956 1.00 23.97 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? 20.251 15.880 -1.500 1.00 23.73 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? 20.870 16.743 -2.120 1.00 23.80 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? 19.161 14.104 -2.918 1.00 24.54 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? 19.168 12.687 -3.484 1.00 25.02 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? 20.269 12.425 -4.502 1.00 25.67 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? 21.246 13.205 -4.580 1.00 26.20 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? 20.155 11.424 -5.241 1.00 25.26 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? 19.529 16.136 -0.408 1.00 23.43 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? 19.490 17.465 0.212 1.00 23.56 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? 20.854 17.863 0.771 1.00 23.52 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? 21.246 19.027 0.683 1.00 23.85 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? 18.445 17.510 1.316 1.00 23.82 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? 21.571 16.901 1.347 1.00 23.06 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? 22.938 17.151 1.807 1.00 23.92 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? 23.844 17.535 0.634 1.00 24.11 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? 24.660 18.454 0.753 1.00 24.38 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? 23.495 15.944 2.544 1.00 23.59 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? 23.680 16.859 -0.499 1.00 24.40 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? 24.529 17.102 -1.670 1.00 25.17 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? 24.277 18.439 -2.361 1.00 25.07 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? 25.210 19.038 -2.898 1.00 25.25 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? 24.353 15.987 -2.696 1.00 25.57 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? 24.890 14.642 -2.252 1.00 25.73 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? 24.297 13.541 -3.109 1.00 26.68 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? 24.767 12.211 -2.733 1.00 27.45 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? 24.185 11.072 -3.112 1.00 28.99 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? 23.102 11.091 -3.880 1.00 29.45 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? 24.680 9.905 -2.721 1.00 28.73 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? 23.022 18.886 -2.370 1.00 24.63 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? 22.619 20.076 -3.114 1.00 25.38 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? 21.759 21.016 -2.285 1.00 25.68 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? 20.692 20.628 -1.799 1.00 24.49 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? 21.814 19.681 -4.348 1.00 25.59 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? 22.583 18.882 -5.350 1.00 25.87 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? 23.429 19.509 -6.256 1.00 26.30 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? 22.442 17.502 -5.409 1.00 26.16 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? 24.129 18.770 -7.194 1.00 26.47 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? 23.141 16.759 -6.344 1.00 26.55 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? 23.985 17.395 -7.239 1.00 26.34 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? 22.201 22.264 -2.161 1.00 26.04 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? 21.430 23.274 -1.444 1.00 27.34 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? 20.055 23.504 -2.072 1.00 26.00 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? 19.078 23.717 -1.358 1.00 25.22 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? 22.209 24.588 -1.367 1.00 29.64 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? 21.576 25.625 -0.449 1.00 32.34 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? 22.566 26.141 0.590 1.00 34.83 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? 22.612 25.255 1.827 1.00 35.43 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? 21.826 25.807 2.972 1.00 35.93 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? 19.977 23.453 -3.398 1.00 25.54 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? 18.698 23.574 -4.089 1.00 25.99 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? 17.699 22.521 -3.599 1.00 24.95 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? 16.530 22.830 -3.361 1.00 24.05 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? 18.883 23.452 -5.605 1.00 27.52 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? 17.579 23.405 -6.376 1.00 28.77 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? 16.880 24.572 -6.678 1.00 29.63 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? 17.043 22.193 -6.797 1.00 29.13 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? 15.686 24.533 -7.382 1.00 29.94 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? 15.851 22.144 -7.499 1.00 29.40 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? 15.175 23.316 -7.789 1.00 29.58 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? 13.993 23.263 -8.492 1.00 29.69 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? 18.163 21.285 -3.438 1.00 23.77 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? 17.284 20.194 -3.018 1.00 23.49 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? 16.863 20.381 -1.560 1.00 23.96 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? 15.694 20.194 -1.227 1.00 24.03 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? 17.923 18.807 -3.265 1.00 23.11 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? 18.101 18.603 -4.778 1.00 22.74 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? 17.061 17.700 -2.664 1.00 22.91 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? 18.661 17.260 -5.205 1.00 22.44 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? 17.804 20.778 -0.708 1.00 23.92 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? 17.487 21.143 0.673 1.00 25.13 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? 16.364 22.187 0.707 1.00 25.77 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? 15.386 22.035 1.440 1.00 25.68 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? 18.729 21.679 1.393 1.00 25.71 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? 18.468 22.204 2.801 1.00 26.14 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? 19.668 22.906 3.419 1.00 27.48 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? 20.708 23.051 2.747 1.00 27.27 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? 19.564 23.323 4.589 1.00 28.12 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? 16.507 23.232 -0.103 1.00 26.18 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? 15.505 24.296 -0.181 1.00 27.39 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? 14.152 23.798 -0.704 1.00 26.92 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? 13.106 24.232 -0.226 1.00 26.77 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? 16.032 25.455 -1.031 1.00 29.50 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? 17.175 26.203 -0.351 1.00 30.94 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? 17.929 27.134 -1.284 1.00 33.76 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? 17.912 26.966 -2.504 1.00 35.67 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? 18.609 28.116 -0.707 1.00 36.02 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? 14.176 22.883 -1.670 1.00 26.50 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? 12.947 22.279 -2.183 1.00 27.33 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? 12.180 21.525 -1.095 1.00 26.29 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? 10.955 21.599 -1.040 1.00 25.83 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? 13.248 21.349 -3.361 1.00 28.00 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? 13.660 22.089 -4.622 1.00 29.03 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? 12.524 22.897 -5.218 1.00 30.40 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? 12.508 24.132 -5.135 1.00 32.40 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? 11.561 22.207 -5.813 1.00 29.78 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? 12.902 20.814 -0.234 1.00 25.76 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? 12.276 20.085 0.874 1.00 25.70 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? 11.757 21.061 1.933 1.00 26.18 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? 10.689 20.848 2.509 1.00 25.84 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? 13.240 19.064 1.521 1.00 25.25 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? 13.794 18.089 0.474 1.00 25.65 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? 12.547 18.288 2.633 1.00 25.18 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? 12.761 17.445 -0.425 1.00 25.92 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? 12.501 22.133 2.180 1.00 26.43 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? 12.041 23.178 3.101 1.00 26.98 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? 10.727 23.797 2.624 1.00 27.19 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? 9.855 24.100 3.434 1.00 27.90 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? 13.117 24.253 3.287 1.00 27.31 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? 14.301 23.767 4.105 1.00 27.66 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? 15.453 24.759 4.154 1.00 28.81 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? 15.864 25.306 3.130 1.00 29.84 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? 15.991 24.984 5.350 1.00 29.43 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? 10.582 23.964 1.310 1.00 27.84 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? 9.331 24.451 0.725 1.00 28.71 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? 8.186 23.453 0.932 1.00 27.87 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? 7.015 23.841 0.935 1.00 27.44 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? 9.509 24.746 -0.769 1.00 31.22 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? 10.434 25.923 -1.047 1.00 33.66 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? 10.597 26.234 -2.525 1.00 36.45 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? 11.406 27.132 -2.848 1.00 39.37 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? 9.924 25.595 -3.365 1.00 38.58 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? 8.542 22.179 1.108 1.00 25.97 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? 7.589 21.093 1.328 1.00 25.23 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? 7.538 20.651 2.791 1.00 25.15 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? 7.318 19.468 3.085 1.00 25.00 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? 7.979 19.897 0.460 1.00 25.24 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? 7.948 20.169 -1.031 1.00 25.47 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? 8.900 19.246 -1.780 1.00 25.81 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? 8.664 19.266 -3.217 1.00 25.75 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? 8.970 20.279 -4.028 1.00 26.45 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? 9.534 21.392 -3.560 1.00 25.98 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? 8.701 20.182 -5.323 1.00 27.02 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? 7.718 21.598 3.706 1.00 25.15 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? 7.717 21.303 5.137 1.00 25.30 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? 6.350 20.832 5.645 1.00 25.69 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? 6.286 20.035 6.571 1.00 25.87 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? 8.168 22.521 5.927 1.00 25.98 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? 5.270 21.348 5.059 1.00 26.23 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? 3.908 21.023 5.511 1.00 27.17 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? 2.983 20.560 4.381 1.00 27.26 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? 1.782 20.357 4.597 1.00 26.63 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? 3.288 22.238 6.221 1.00 28.17 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? 4.246 22.964 7.139 1.00 28.76 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? 4.728 22.358 8.295 1.00 29.90 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? 4.677 24.257 6.849 1.00 30.29 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? 5.607 23.018 9.138 1.00 30.02 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? 5.554 24.924 7.685 1.00 30.70 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? 6.018 24.301 8.827 1.00 30.63 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? 6.890 24.959 9.659 1.00 31.32 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? 3.546 20.391 3.188 1.00 27.36 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? 2.813 19.915 2.024 1.00 28.72 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? 3.790 19.227 1.087 1.00 27.60 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? 4.744 19.854 0.617 1.00 27.34 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? 2.150 21.082 1.288 1.00 30.50 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? 1.424 20.677 0.013 1.00 32.82 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? 0.754 21.864 -0.651 1.00 35.00 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? 1.729 22.795 -1.221 1.00 37.47 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? 1.424 23.970 -1.772 1.00 39.58 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? 0.162 24.382 -1.830 1.00 40.85 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? 2.387 24.742 -2.262 1.00 40.39 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? 3.551 17.947 0.813 1.00 26.69 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? 4.376 17.208 -0.132 1.00 26.11 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? 4.108 17.659 -1.554 1.00 26.98 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? 3.009 18.108 -1.886 1.00 26.36 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? 4.119 15.698 -0.046 1.00 25.95 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? 4.546 15.099 1.274 1.00 25.45 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? 5.494 15.615 1.899 1.00 25.21 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? 3.943 14.084 1.678 1.00 25.04 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? 5.128 17.526 -2.390 1.00 26.48 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? 4.990 17.741 -3.821 1.00 27.46 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? 6.061 16.928 -4.520 1.00 27.08 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? 7.168 16.773 -3.998 1.00 26.08 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? 5.128 19.226 -4.166 1.00 28.74 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? 4.937 19.541 -5.649 1.00 29.93 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? 5.050 21.020 -5.971 1.00 31.68 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? 4.748 21.857 -5.096 1.00 32.80 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? 5.428 21.346 -7.115 1.00 32.93 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? 5.734 16.393 -5.693 1.00 27.16 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? 6.720 15.642 -6.468 1.00 27.65 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? 7.940 16.529 -6.724 1.00 27.15 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? 7.811 17.755 -6.795 1.00 26.25 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? 6.156 15.116 -7.807 1.00 28.11 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? 5.099 14.042 -7.560 1.00 28.54 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? 5.600 16.249 -8.663 1.00 28.79 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? 9.132 15.918 -6.845 1.00 27.25 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? 10.332 16.724 -7.054 1.00 27.59 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? 10.283 17.505 -8.361 1.00 27.83 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? 9.712 17.028 -9.340 1.00 28.15 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? 11.463 15.684 -7.104 1.00 27.35 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? 10.798 14.380 -7.367 1.00 27.51 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? 9.438 14.480 -6.754 1.00 27.37 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? 10.877 18.695 -8.374 1.00 28.74 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? 11.016 19.452 -9.614 1.00 29.33 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? 11.911 18.682 -10.580 1.00 30.09 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? 12.711 17.841 -10.165 1.00 29.56 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? 11.598 20.844 -9.349 1.00 29.05 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? 12.942 20.776 -8.902 1.00 29.27 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? 11.771 18.958 -11.872 1.00 31.13 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? 12.636 18.330 -12.866 1.00 31.69 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? 14.107 18.660 -12.582 1.00 30.62 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? 14.985 17.821 -12.777 1.00 29.98 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? 12.241 18.765 -14.276 1.00 33.61 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? 10.930 18.312 -14.590 1.00 36.70 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? 14.362 19.873 -12.098 1.00 30.45 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? 15.711 20.288 -11.710 1.00 30.01 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? 16.273 19.404 -10.597 1.00 29.21 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? 17.446 19.026 -10.628 1.00 28.01 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? 15.716 21.745 -11.277 1.00 30.28 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? 15.430 19.080 -9.620 1.00 28.23 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? 15.807 18.174 -8.535 1.00 27.26 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? 16.259 16.824 -9.084 1.00 27.30 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? 17.336 16.341 -8.743 1.00 26.08 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? 14.629 17.962 -7.561 1.00 27.13 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? 14.300 19.211 -6.939 1.00 27.53 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? 14.972 16.935 -6.488 1.00 26.88 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? 15.430 16.225 -9.937 1.00 27.57 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? 15.756 14.941 -10.561 1.00 27.81 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? 17.077 15.048 -11.323 1.00 27.88 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? 17.930 14.154 -11.247 1.00 25.96 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? 14.646 14.482 -11.541 1.00 28.68 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? 13.316 14.241 -10.806 1.00 29.06 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? 15.067 13.225 -12.297 1.00 28.89 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? 13.352 13.167 -9.737 1.00 29.00 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? 17.230 16.149 -12.055 1.00 28.38 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? 18.420 16.393 -12.868 1.00 29.00 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? 19.689 16.422 -12.019 1.00 27.88 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? 20.685 15.786 -12.364 1.00 28.49 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? 18.279 17.709 -13.635 1.00 29.99 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? 19.375 17.905 -14.511 1.00 31.92 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? 19.643 17.153 -10.909 1.00 27.16 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? 20.796 17.265 -10.012 1.00 26.83 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? 21.150 15.922 -9.385 1.00 26.22 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? 22.322 15.563 -9.301 1.00 25.23 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? 20.528 18.291 -8.911 1.00 26.94 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? 20.361 19.729 -9.394 1.00 27.27 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? 19.697 20.573 -8.317 1.00 27.21 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? 21.707 20.309 -9.808 1.00 27.47 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? 20.132 15.184 -8.944 1.00 25.83 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? 20.338 13.842 -8.394 1.00 25.23 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? 21.080 12.963 -9.391 1.00 25.04 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? 22.060 12.303 -9.051 1.00 24.77 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? 18.997 13.185 -8.061 1.00 25.27 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? 18.238 13.855 -6.929 1.00 25.13 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? 16.830 13.318 -6.766 1.00 25.41 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? 16.402 12.474 -7.585 1.00 25.69 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? 16.148 13.751 -5.813 1.00 24.86 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? 20.607 12.974 -10.630 1.00 25.67 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? 21.196 12.163 -11.691 1.00 26.74 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? 22.590 12.627 -12.127 1.00 27.40 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? 23.329 11.858 -12.745 1.00 28.42 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? 20.273 12.149 -12.913 1.00 27.23 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? 18.993 11.365 -12.677 1.00 27.76 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? 18.913 10.532 -11.771 1.00 28.03 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? 17.979 11.633 -13.497 1.00 27.79 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? 22.937 13.874 -11.815 1.00 27.26 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? 24.180 14.486 -12.289 1.00 27.47 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? 25.270 14.620 -11.226 1.00 27.28 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? 26.346 15.152 -11.511 1.00 27.25 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? 23.875 15.871 -12.866 1.00 27.94 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? 22.955 15.785 -13.943 1.00 27.98 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? 25.006 14.148 -10.009 1.00 26.32 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? 25.929 14.370 -8.899 1.00 26.07 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? 27.310 13.776 -9.166 1.00 26.97 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? 28.325 14.446 -8.959 1.00 26.50 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? 25.371 13.814 -7.593 1.00 25.47 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? 26.256 14.107 -6.413 1.00 24.92 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? 26.648 15.337 -5.971 1.00 24.54 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? 26.859 13.152 -5.527 1.00 24.63 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? 27.459 15.208 -4.866 1.00 24.47 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? 27.601 13.879 -4.571 1.00 24.15 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? 26.842 11.754 -5.447 1.00 24.82 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? 28.320 13.255 -3.547 1.00 24.54 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? 27.554 11.136 -4.431 1.00 24.83 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? 28.279 11.886 -3.491 1.00 24.56 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? 27.341 12.526 -9.619 1.00 27.52 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? 28.599 11.861 -9.962 1.00 29.38 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? 29.342 12.618 -11.062 1.00 28.96 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? 30.532 12.923 -10.924 1.00 28.26 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? 28.342 10.421 -10.417 1.00 30.45 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? 29.566 9.724 -10.582 1.00 32.65 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? 28.628 12.910 -12.147 1.00 28.92 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? 29.177 13.660 -13.275 1.00 29.65 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? 29.715 15.021 -12.874 1.00 29.85 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? 30.834 15.380 -13.238 1.00 29.93 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? 28.923 15.776 -12.115 1.00 29.66 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? 29.345 17.099 -11.642 1.00 29.51 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? 30.564 17.010 -10.734 1.00 29.62 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? 31.506 17.795 -10.869 1.00 28.86 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? 28.210 17.804 -10.894 1.00 30.01 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? 27.089 18.401 -11.744 1.00 30.50 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? 25.905 18.774 -10.863 1.00 31.10 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? 27.575 19.615 -12.526 1.00 30.51 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? 30.536 16.062 -9.803 1.00 29.36 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? 31.666 15.831 -8.910 1.00 29.63 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? 32.946 15.569 -9.705 1.00 30.66 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? 34.000 16.135 -9.405 1.00 29.46 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? 31.371 14.660 -7.970 1.00 29.83 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? 30.322 14.982 -7.070 1.00 29.21 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? 32.837 14.730 -10.732 1.00 30.81 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? 33.970 14.399 -11.596 1.00 31.64 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? 34.522 15.638 -12.302 1.00 31.08 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? 35.718 15.921 -12.222 1.00 29.86 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? 33.551 13.356 -12.636 1.00 33.35 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? 34.695 12.800 -13.474 1.00 35.29 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? 34.167 11.871 -14.552 1.00 36.75 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? 35.280 11.084 -15.218 1.00 38.41 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? 34.731 10.088 -16.181 1.00 39.64 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? 33.644 16.373 -12.981 1.00 30.71 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? 34.052 17.529 -13.785 1.00 31.12 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? 34.629 18.673 -12.954 1.00 30.61 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? 35.552 19.360 -13.398 1.00 30.29 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? 32.880 18.042 -14.631 1.00 31.91 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? 32.393 17.059 -15.681 1.00 32.79 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? 33.499 16.627 -16.624 1.00 33.86 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? 34.250 17.461 -17.139 1.00 34.22 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? 33.616 15.321 -16.848 1.00 34.79 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? 34.090 18.878 -11.756 1.00 29.66 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? 34.630 19.877 -10.835 1.00 29.09 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? 36.061 19.498 -10.433 1.00 29.53 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? 36.928 20.361 -10.325 1.00 29.49 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? 33.728 20.046 -9.589 1.00 28.76 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? 32.391 20.677 -9.992 1.00 28.56 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? 34.401 20.922 -8.540 1.00 28.70 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? 31.300 20.528 -8.952 1.00 28.15 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? 36.305 18.208 -10.226 1.00 30.24 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? 37.653 17.733 -9.915 1.00 30.38 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? 38.582 17.798 -11.132 1.00 31.38 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? 39.748 18.165 -10.994 1.00 32.05 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? 37.612 16.317 -9.339 1.00 30.00 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? 37.185 16.291 -7.882 1.00 29.37 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? 36.775 14.909 -7.415 1.00 29.42 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? 37.613 14.103 -7.020 1.00 29.90 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? 35.475 14.633 -7.446 1.00 29.06 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? 38.068 17.456 -12.311 1.00 32.25 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? 38.852 17.541 -13.550 1.00 33.49 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? 39.208 18.985 -13.906 1.00 34.13 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? 40.232 19.240 -14.540 1.00 33.87 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? 38.101 16.901 -14.720 1.00 34.40 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? 37.835 15.394 -14.665 1.00 35.04 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? 37.024 14.969 -15.877 1.00 35.83 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? 39.121 14.591 -14.595 1.00 36.20 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? 38.357 19.921 -13.499 1.00 34.02 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? 38.592 21.345 -13.728 1.00 34.85 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? 39.832 21.884 -12.993 1.00 36.09 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? 40.427 22.872 -13.435 1.00 35.32 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? 37.356 22.143 -13.333 1.00 34.80 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? 40.230 21.217 -11.914 1.00 36.97 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? 41.341 21.633 -11.083 1.00 39.03 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? 42.619 21.910 -11.851 1.00 39.51 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? 43.317 22.841 -11.531 1.00 42.88 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? 41.696 20.598 -10.032 1.00 40.69 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? 40.725 20.317 -8.910 1.00 42.93 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? 41.252 19.258 -7.936 1.00 44.05 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? 41.924 19.589 -6.980 1.00 46.32 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? 40.961 17.990 -8.202 1.00 44.03 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? 42.946 21.087 -12.818 1.00 37.77 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? 44.118 21.268 -13.680 1.00 36.30 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? 43.749 21.652 -15.103 1.00 35.03 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? 44.528 21.442 -16.032 1.00 35.69 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? 42.560 22.224 -15.271 1.00 33.52 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? 42.055 22.612 -16.580 1.00 32.37 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? 41.487 24.039 -16.533 1.00 30.66 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? 40.565 24.377 -17.271 1.00 29.61 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? 41.003 21.589 -17.041 1.00 33.77 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? 40.610 21.731 -18.510 1.00 34.31 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? 39.449 21.525 -18.861 1.00 35.67 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? 41.565 22.056 -19.373 1.00 35.13 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? 42.059 24.867 -15.656 1.00 29.96 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? 41.683 26.280 -15.512 1.00 29.84 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? 40.202 26.502 -15.196 1.00 30.26 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? 39.600 27.472 -15.657 1.00 29.76 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? 42.074 27.069 -16.768 1.00 29.66 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? 43.574 27.088 -16.999 1.00 28.91 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? 44.341 27.385 -16.089 1.00 29.20 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? 43.996 26.777 -18.219 1.00 28.69 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? 39.623 25.604 -14.404 1.00 30.21 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? 38.217 25.719 -14.013 1.00 30.71 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? 37.220 25.260 -15.066 1.00 31.01 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? 36.011 25.377 -14.862 1.00 31.11 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? 37.717 24.720 -16.178 1.00 31.36 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? 36.877 24.309 -17.300 1.00 31.89 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? 36.594 22.811 -17.217 1.00 32.32 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? 37.504 22.011 -17.000 1.00 32.35 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? 37.559 24.635 -18.650 1.00 31.56 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? 36.713 24.171 -19.828 1.00 31.85 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? 37.835 26.127 -18.756 1.00 31.81 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? 35.326 22.441 -17.382 1.00 33.16 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? 34.924 21.036 -17.448 1.00 33.79 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? 35.501 20.389 -18.706 1.00 35.47 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? 35.414 20.962 -19.792 1.00 35.61 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? 33.393 20.917 -17.501 1.00 33.44 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? 32.689 21.192 -16.190 1.00 32.67 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? 33.340 21.774 -15.104 1.00 32.24 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? 31.343 20.876 -16.058 1.00 32.48 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? 32.666 22.011 -13.915 1.00 32.31 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? 30.664 21.120 -14.875 1.00 32.10 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? 31.325 21.685 -13.802 1.00 32.08 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? 36.077 19.198 -18.560 1.00 36.56 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? 36.529 18.416 -19.715 1.00 38.00 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? 35.331 17.998 -20.576 1.00 38.73 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? 35.431 17.942 -21.801 1.00 38.21 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? 37.301 17.168 -19.271 1.00 38.35 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? 38.586 17.444 -18.498 1.00 38.84 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? 39.738 17.838 -19.410 1.00 38.97 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? 40.959 18.102 -18.650 1.00 38.77 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? 42.135 18.428 -19.186 1.00 38.17 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? 42.275 18.535 -20.503 1.00 37.16 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? 43.179 18.642 -18.393 1.00 38.06 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? 34.206 17.712 -19.918 1.00 38.46 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? 32.952 17.366 -20.591 1.00 39.03 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? 31.803 18.155 -19.953 1.00 39.00 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? 31.600 18.065 -18.744 1.00 37.05 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? 32.651 15.860 -20.471 1.00 39.56 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? 33.775 15.104 -20.941 1.00 40.42 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? 31.424 15.480 -21.287 1.00 39.80 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? 31.057 18.938 -20.757 1.00 38.89 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? 29.933 19.703 -20.200 1.00 38.83 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? 28.846 18.822 -19.590 1.00 37.98 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? 28.596 17.721 -20.084 1.00 39.40 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? 29.379 20.452 -21.417 1.00 39.83 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? 30.524 20.543 -22.364 1.00 40.10 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? 31.292 19.271 -22.175 1.00 40.02 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? 28.222 19.308 -18.519 1.00 37.08 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? 27.120 18.610 -17.860 1.00 36.17 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? 25.808 19.312 -18.194 1.00 36.34 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? 25.665 20.511 -17.953 1.00 35.49 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? 27.311 18.582 -16.330 1.00 36.30 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? 28.481 17.818 -16.003 1.00 36.54 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? 26.098 17.963 -15.631 1.00 35.79 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? 24.857 18.561 -18.748 1.00 37.46 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? 23.538 19.095 -19.085 1.00 37.83 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? 22.604 18.959 -17.884 1.00 37.60 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? 22.433 17.865 -17.346 1.00 37.28 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? 22.921 18.362 -20.296 1.00 38.75 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? 21.509 18.861 -20.572 1.00 39.14 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? 23.796 18.542 -21.529 1.00 39.38 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? 22.004 20.076 -17.480 1.00 37.45 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? 21.050 20.100 -16.377 1.00 37.18 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? 19.741 20.758 -16.791 1.00 38.55 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? 19.691 21.505 -17.768 1.00 38.25 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? 21.619 20.879 -15.194 1.00 36.98 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? 22.891 20.369 -14.525 1.00 36.62 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? 23.252 21.313 -13.393 1.00 37.12 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? 22.719 18.954 -14.003 1.00 36.52 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? 18.688 20.470 -16.030 1.00 39.13 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? 17.421 21.181 -16.144 1.00 40.55 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? 17.394 22.211 -15.022 1.00 42.16 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? 17.677 21.875 -13.870 1.00 40.79 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? 16.219 20.223 -16.012 1.00 41.01 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? 14.904 20.988 -16.079 1.00 41.48 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? 16.266 19.161 -17.101 1.00 41.37 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? 17.068 23.460 -15.353 1.00 43.97 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? 17.047 24.534 -14.352 1.00 46.92 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? 15.677 24.655 -13.675 1.00 48.45 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? 14.740 23.928 -14.017 1.00 47.44 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? 17.498 25.877 -14.964 1.00 48.02 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? 16.502 26.453 -15.969 1.00 49.11 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? 15.401 25.890 -16.150 1.00 49.63 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? 16.832 27.489 -16.585 1.00 50.85 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? 15.572 25.583 -12.726 1.00 51.33 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? 14.339 25.813 -11.958 1.00 54.13 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? 13.104 26.158 -12.806 1.00 55.32 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? 11.978 26.140 -12.303 1.00 56.25 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? 14.571 26.932 -10.936 1.00 55.11 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? 14.889 28.156 -11.581 1.00 56.86 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? 13.325 26.468 -14.080 1.00 56.21 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? 12.237 26.839 -14.978 1.00 56.91 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? 11.946 25.745 -16.002 1.00 56.18 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? 11.272 25.985 -17.004 1.00 56.97 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? 12.558 28.154 -15.692 1.00 58.54 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? 13.195 29.206 -14.799 1.00 59.31 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? 12.521 30.557 -14.972 1.00 60.11 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? 12.784 31.461 -13.778 1.00 61.08 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? 11.808 32.584 -13.706 1.00 61.47 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? 12.457 24.546 -15.745 1.00 54.66 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? 12.243 23.412 -16.641 1.00 54.10 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? 13.040 23.513 -17.931 1.00 54.12 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? 12.839 22.716 -18.849 1.00 54.22 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? 13.962 24.455 -17.967 1.00 54.58 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? 14.774 24.669 -19.139 1.00 55.20 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? 16.127 24.002 -19.078 1.00 55.43 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? 16.812 24.087 -18.074 1.00 54.01 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? 14.919 26.151 -19.397 1.00 55.46 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? 13.670 26.747 -19.990 1.00 55.24 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? 13.119 26.228 -20.927 1.00 55.56 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? 13.217 27.821 -19.419 1.00 55.43 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? 16.521 23.392 -20.176 1.00 56.45 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? 17.757 22.644 -20.261 1.00 57.39 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? 18.980 23.508 -20.460 1.00 56.39 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? 19.242 23.886 -21.560 1.00 56.79 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? 17.667 21.640 -21.412 1.00 58.82 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? 18.992 21.024 -21.855 1.00 60.34 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? 18.950 20.426 -23.254 1.00 61.06 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? 20.275 20.214 -23.812 1.00 61.91 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? 21.157 21.166 -24.088 1.00 62.38 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? 22.317 20.830 -24.588 1.00 62.02 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? 20.892 22.451 -23.869 1.00 62.74 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? 19.748 23.749 -19.398 1.00 54.86 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? 21.038 24.427 -19.459 1.00 53.51 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? 22.288 23.527 -19.551 1.00 52.21 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? 22.260 22.353 -19.297 1.00 50.81 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? 21.227 25.392 -18.296 1.00 53.85 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? 21.361 24.657 -17.002 1.00 55.04 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? 22.494 26.179 -18.472 1.00 53.75 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? 23.384 24.132 -19.964 1.00 50.84 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? 24.625 23.448 -20.113 1.00 49.80 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? 25.657 24.132 -19.239 1.00 48.35 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? 25.908 25.287 -19.326 1.00 47.88 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? 25.061 23.474 -21.555 1.00 50.96 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? 26.401 22.857 -21.767 1.00 51.98 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? 26.608 22.417 -23.205 1.00 53.25 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? 25.989 21.487 -23.656 1.00 55.08 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? 27.475 23.082 -23.898 1.00 53.16 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? 26.212 23.358 -18.356 1.00 47.20 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? 27.135 23.782 -17.314 1.00 46.53 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? 28.506 23.472 -17.776 1.00 44.77 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? 28.861 22.367 -18.034 1.00 45.97 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? 26.984 22.986 -16.030 1.00 48.37 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? 25.559 23.024 -15.568 1.00 48.83 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? 27.885 23.528 -14.960 1.00 48.90 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? 25.001 24.397 -15.518 1.00 49.93 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? 29.289 24.484 -17.924 1.00 41.73 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? 30.584 24.128 -18.569 1.00 39.79 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? 31.871 24.439 -17.791 1.00 38.31 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? 32.961 24.032 -18.204 1.00 37.94 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? 30.753 24.858 -19.923 1.00 39.88 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? 30.725 26.277 -19.719 1.00 38.85 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? 29.667 24.461 -20.902 1.00 40.30 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? 31.760 25.187 -16.702 1.00 36.62 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? 32.928 25.573 -15.921 1.00 36.71 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? 32.526 25.893 -14.486 1.00 34.38 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? 31.334 25.965 -14.173 1.00 34.00 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? 33.660 26.753 -16.587 1.00 38.13 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? 32.834 28.031 -16.615 1.00 40.65 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? 32.637 28.669 -15.582 1.00 39.87 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? 32.363 28.418 -17.803 1.00 44.46 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? 33.520 26.088 -13.626 1.00 32.79 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? 33.280 26.264 -12.186 1.00 32.30 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? 32.650 27.601 -11.777 1.00 32.59 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? 32.322 27.783 -10.604 1.00 31.82 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? 34.565 26.041 -11.350 1.00 32.13 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? 35.063 24.611 -11.514 1.00 31.85 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? 35.654 27.050 -11.711 1.00 32.02 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? 32.477 28.530 -12.719 1.00 33.62 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? 31.837 29.820 -12.408 1.00 35.15 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? 30.310 29.705 -12.355 1.00 35.73 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? 29.635 30.643 -11.937 1.00 36.06 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? 32.205 30.937 -13.415 1.00 36.14 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? 31.580 30.691 -14.681 1.00 37.17 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? 33.717 31.049 -13.591 1.00 36.55 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? 29.775 28.564 -12.784 1.00 35.79 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? 28.335 28.324 -12.755 1.00 36.06 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? 27.796 28.308 -11.326 1.00 35.04 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? 28.476 27.863 -10.400 1.00 32.71 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? 28.007 26.999 -13.439 1.00 37.75 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? 26.653 26.648 -13.231 1.00 40.02 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? 26.564 28.739 -11.165 1.00 35.23 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? 25.949 28.788 -9.866 1.00 35.58 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? 25.829 27.401 -9.233 1.00 32.58 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? 25.866 27.242 -8.055 1.00 31.45 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? 24.577 29.442 -9.993 1.00 38.41 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? 24.636 30.955 -9.853 1.00 41.39 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? 25.300 31.478 -8.984 1.00 45.54 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? 23.923 31.654 -10.697 1.00 43.06 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? 25.688 26.402 -10.060 1.00 31.41 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? 25.606 25.022 -9.572 1.00 30.44 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? 26.855 24.677 -8.765 1.00 29.38 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? 26.774 24.005 -7.737 1.00 27.78 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? 25.446 23.997 -10.711 1.00 31.45 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? 25.193 22.606 -10.140 1.00 31.31 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? 24.303 24.386 -11.638 1.00 32.23 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? 28.010 25.157 -9.226 1.00 28.87 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? 29.278 24.896 -8.542 1.00 28.68 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? 29.522 25.875 -7.394 1.00 28.65 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? 29.981 25.473 -6.327 1.00 29.45 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? 30.480 24.957 -9.512 1.00 28.71 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? 31.750 24.501 -8.808 1.00 28.71 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? 30.221 24.095 -10.738 1.00 28.86 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? 29.216 27.153 -7.610 1.00 28.90 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? 29.529 28.184 -6.623 1.00 29.18 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? 28.544 28.223 -5.455 1.00 28.56 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? 28.922 28.653 -4.363 1.00 30.04 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? 29.627 29.597 -7.255 1.00 29.31 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? 28.352 30.011 -7.758 1.00 29.63 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? 30.650 29.619 -8.388 1.00 29.86 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? 27.317 27.808 -5.742 0.50 27.49 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? 26.129 27.941 -4.875 0.50 27.36 ? 235 SER A CA 1 ATOM 1818 C C A SER A 1 235 ? 25.385 26.663 -4.221 0.50 27.41 ? 235 SER A C 1 ATOM 1819 C C B SER A 1 235 ? 25.011 26.856 -4.645 0.50 27.36 ? 235 SER A C 1 ATOM 1820 O O A SER A 1 235 ? 25.419 26.449 -3.040 0.50 27.82 ? 235 SER A O 1 ATOM 1821 O O B SER A 1 235 ? 23.845 27.201 -4.704 0.50 27.35 ? 235 SER A O 1 ATOM 1822 C CB . SER A 1 235 ? 25.411 29.287 -5.260 0.50 27.30 ? 235 SER A CB 1 ATOM 1823 O OG . SER A 1 235 ? 26.305 30.302 -5.648 0.50 27.82 ? 235 SER A OG 1 ATOM 1824 N N . ASN A 1 236 ? 25.415 25.705 -5.082 1.00 27.23 ? 236 ASN A N 1 ATOM 1825 C CA . ASN A 1 236 ? 24.427 24.626 -4.982 1.00 26.83 ? 236 ASN A CA 1 ATOM 1826 C C . ASN A 1 236 ? 25.051 23.369 -4.390 1.00 26.14 ? 236 ASN A C 1 ATOM 1827 O O . ASN A 1 236 ? 24.735 22.986 -3.261 1.00 26.45 ? 236 ASN A O 1 ATOM 1828 C CB . ASN A 1 236 ? 23.833 24.362 -6.370 1.00 26.84 ? 236 ASN A CB 1 ATOM 1829 C CG . ASN A 1 236 ? 22.597 23.485 -6.334 1.00 26.83 ? 236 ASN A CG 1 ATOM 1830 O OD1 . ASN A 1 236 ? 22.279 22.875 -5.320 1.00 27.06 ? 236 ASN A OD1 1 ATOM 1831 N ND2 . ASN A 1 236 ? 21.901 23.415 -7.458 1.00 27.08 ? 236 ASN A ND2 1 ATOM 1832 N N . ILE A 1 237 ? 25.958 22.748 -5.141 1.00 26.06 ? 237 ILE A N 1 ATOM 1833 C CA . ILE A 1 237 ? 26.570 21.491 -4.723 1.00 25.12 ? 237 ILE A CA 1 ATOM 1834 C C . ILE A 1 237 ? 27.389 21.698 -3.452 1.00 25.62 ? 237 ILE A C 1 ATOM 1835 O O . ILE A 1 237 ? 28.128 22.680 -3.333 1.00 25.64 ? 237 ILE A O 1 ATOM 1836 C CB . ILE A 1 237 ? 27.442 20.877 -5.842 1.00 24.61 ? 237 ILE A CB 1 ATOM 1837 C CG1 . ILE A 1 237 ? 27.772 19.416 -5.521 1.00 24.02 ? 237 ILE A CG1 1 ATOM 1838 C CG2 . ILE A 1 237 ? 28.725 21.678 -6.053 1.00 24.74 ? 237 ILE A CG2 1 ATOM 1839 C CD1 . ILE A 1 237 ? 28.248 18.636 -6.723 1.00 24.14 ? 237 ILE A CD1 1 ATOM 1840 N N . GLN A 1 238 ? 27.239 20.783 -2.500 1.00 25.42 ? 238 GLN A N 1 ATOM 1841 C CA . GLN A 1 238 ? 27.862 20.922 -1.185 1.00 26.45 ? 238 GLN A CA 1 ATOM 1842 C C . GLN A 1 238 ? 28.852 19.813 -0.849 1.00 25.54 ? 238 GLN A C 1 ATOM 1843 O O . GLN A 1 238 ? 29.567 19.904 0.151 1.00 25.50 ? 238 GLN A O 1 ATOM 1844 C CB . GLN A 1 238 ? 26.769 20.963 -0.119 1.00 27.03 ? 238 GLN A CB 1 ATOM 1845 C CG . GLN A 1 238 ? 25.771 22.092 -0.318 1.00 27.86 ? 238 GLN A CG 1 ATOM 1846 C CD . GLN A 1 238 ? 26.403 23.460 -0.123 1.00 28.93 ? 238 GLN A CD 1 ATOM 1847 O OE1 . GLN A 1 238 ? 27.048 23.709 0.895 1.00 30.79 ? 238 GLN A OE1 1 ATOM 1848 N NE2 . GLN A 1 238 ? 26.221 24.351 -1.093 1.00 29.28 ? 238 GLN A NE2 1 ATOM 1849 N N . LEU A 1 239 ? 28.872 18.763 -1.666 1.00 25.20 ? 239 LEU A N 1 ATOM 1850 C CA . LEU A 1 239 ? 29.712 17.591 -1.447 1.00 25.29 ? 239 LEU A CA 1 ATOM 1851 C C . LEU A 1 239 ? 30.123 17.026 -2.803 1.00 25.53 ? 239 LEU A C 1 ATOM 1852 O O . LEU A 1 239 ? 29.303 16.964 -3.724 1.00 24.86 ? 239 LEU A O 1 ATOM 1853 C CB . LEU A 1 239 ? 28.944 16.520 -0.670 1.00 25.13 ? 239 LEU A CB 1 ATOM 1854 C CG . LEU A 1 239 ? 28.356 16.867 0.704 1.00 25.01 ? 239 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 239 ? 27.308 15.835 1.098 1.00 24.82 ? 239 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 239 ? 29.440 16.954 1.768 1.00 25.38 ? 239 LEU A CD2 1 ATOM 1857 N N . LEU A 1 240 ? 31.386 16.625 -2.927 1.00 25.79 ? 240 LEU A N 1 ATOM 1858 C CA . LEU A 1 240 ? 31.889 16.022 -4.157 1.00 27.22 ? 240 LEU A CA 1 ATOM 1859 C C . LEU A 1 240 ? 32.222 14.554 -3.930 1.00 27.60 ? 240 LEU A C 1 ATOM 1860 O O . LEU A 1 240 ? 32.945 14.207 -2.993 1.00 27.74 ? 240 LEU A O 1 ATOM 1861 C CB . LEU A 1 240 ? 33.145 16.748 -4.655 1.00 27.54 ? 240 LEU A CB 1 ATOM 1862 C CG . LEU A 1 240 ? 33.035 18.250 -4.916 1.00 27.70 ? 240 LEU A CG 1 ATOM 1863 C CD1 . LEU A 1 240 ? 34.398 18.787 -5.336 1.00 28.38 ? 240 LEU A CD1 1 ATOM 1864 C CD2 . LEU A 1 240 ? 31.983 18.578 -5.965 1.00 27.84 ? 240 LEU A CD2 1 ATOM 1865 N N . LEU A 1 241 ? 31.662 13.700 -4.777 1.00 28.49 ? 241 LEU A N 1 ATOM 1866 C CA . LEU A 1 241 ? 32.062 12.305 -4.850 1.00 29.24 ? 241 LEU A CA 1 ATOM 1867 C C . LEU A 1 241 ? 33.486 12.253 -5.389 1.00 29.80 ? 241 LEU A C 1 ATOM 1868 O O . LEU A 1 241 ? 33.761 12.801 -6.459 1.00 29.24 ? 241 LEU A O 1 ATOM 1869 C CB . LEU A 1 241 ? 31.125 11.536 -5.784 1.00 29.04 ? 241 LEU A CB 1 ATOM 1870 C CG . LEU A 1 241 ? 31.321 10.021 -5.893 1.00 29.02 ? 241 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 241 ? 31.097 9.343 -4.547 1.00 29.16 ? 241 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 241 ? 30.383 9.453 -6.946 1.00 29.41 ? 241 LEU A CD2 1 ATOM 1873 N N . ASN A 1 242 ? 34.385 11.607 -4.649 1.00 31.38 ? 242 ASN A N 1 ATOM 1874 C CA . ASN A 1 242 ? 35.783 11.481 -5.067 1.00 32.32 ? 242 ASN A CA 1 ATOM 1875 C C . ASN A 1 242 ? 35.875 10.740 -6.394 1.00 33.56 ? 242 ASN A C 1 ATOM 1876 O O . ASN A 1 242 ? 35.217 9.718 -6.587 1.00 32.93 ? 242 ASN A O 1 ATOM 1877 C CB . ASN A 1 242 ? 36.609 10.750 -4.003 1.00 32.74 ? 242 ASN A CB 1 ATOM 1878 C CG . ASN A 1 242 ? 38.099 11.045 -4.107 1.00 32.63 ? 242 ASN A CG 1 ATOM 1879 O OD1 . ASN A 1 242 ? 38.754 10.647 -5.070 1.00 32.67 ? 242 ASN A OD1 1 ATOM 1880 N ND2 . ASN A 1 242 ? 38.641 11.734 -3.109 1.00 32.25 ? 242 ASN A ND2 1 ATOM 1881 N N . THR A 1 243 ? 36.690 11.264 -7.308 1.00 35.40 ? 243 THR A N 1 ATOM 1882 C CA . THR A 1 243 ? 36.836 10.678 -8.643 1.00 37.40 ? 243 THR A CA 1 ATOM 1883 C C . THR A 1 243 ? 37.382 9.242 -8.625 1.00 39.19 ? 243 THR A C 1 ATOM 1884 O O . THR A 1 243 ? 37.178 8.488 -9.578 1.00 39.80 ? 243 THR A O 1 ATOM 1885 C CB . THR A 1 243 ? 37.713 11.564 -9.555 1.00 38.67 ? 243 THR A CB 1 ATOM 1886 O OG1 . THR A 1 243 ? 37.634 11.086 -10.903 1.00 40.55 ? 243 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 243 ? 39.171 11.580 -9.090 1.00 38.56 ? 243 THR A CG2 1 ATOM 1888 N N . LYS A 1 244 ? 38.041 8.889 -7.540 1.00 41.29 ? 244 LYS A N 1 ATOM 1889 C CA . LYS A 1 244 ? 38.492 7.533 -7.320 1.00 43.60 ? 244 LYS A CA 1 ATOM 1890 C C . LYS A 1 244 ? 37.342 6.531 -7.234 1.00 44.55 ? 244 LYS A C 1 ATOM 1891 O O . LYS A 1 244 ? 37.483 5.372 -7.575 1.00 44.54 ? 244 LYS A O 1 ATOM 1892 C CB . LYS A 1 244 ? 39.364 7.470 -6.076 1.00 45.24 ? 244 LYS A CB 1 ATOM 1893 C CG . LYS A 1 244 ? 40.789 7.916 -6.348 1.00 46.89 ? 244 LYS A CG 1 ATOM 1894 C CD . LYS A 1 244 ? 41.599 8.339 -5.138 1.00 48.40 ? 244 LYS A CD 1 ATOM 1895 C CE . LYS A 1 244 ? 42.626 7.285 -4.748 1.00 49.45 ? 244 LYS A CE 1 ATOM 1896 N NZ . LYS A 1 244 ? 43.385 7.600 -3.505 1.00 50.46 ? 244 LYS A NZ 1 ATOM 1897 N N . ASN A 1 245 ? 36.202 7.010 -6.782 1.00 44.23 ? 245 ASN A N 1 ATOM 1898 C CA . ASN A 1 245 ? 34.977 6.209 -6.682 1.00 45.03 ? 245 ASN A CA 1 ATOM 1899 C C . ASN A 1 245 ? 34.034 6.373 -7.884 1.00 45.46 ? 245 ASN A C 1 ATOM 1900 O O . ASN A 1 245 ? 32.866 5.984 -7.815 1.00 46.86 ? 245 ASN A O 1 ATOM 1901 C CB . ASN A 1 245 ? 34.231 6.562 -5.391 1.00 44.85 ? 245 ASN A CB 1 ATOM 1902 C CG . ASN A 1 245 ? 35.014 6.195 -4.144 1.00 44.88 ? 245 ASN A CG 1 ATOM 1903 O OD1 . ASN A 1 245 ? 35.500 5.071 -4.015 1.00 46.25 ? 245 ASN A OD1 1 ATOM 1904 N ND2 . ASN A 1 245 ? 35.127 7.133 -3.212 1.00 44.25 ? 245 ASN A ND2 1 ATOM 1905 N N . ILE A 1 246 ? 34.540 6.937 -8.982 1.00 45.33 ? 246 ILE A N 1 ATOM 1906 C CA . ILE A 1 246 ? 33.738 7.160 -10.188 1.00 45.59 ? 246 ILE A CA 1 ATOM 1907 C C . ILE A 1 246 ? 34.336 6.387 -11.362 1.00 46.76 ? 246 ILE A C 1 ATOM 1908 O O . ILE A 1 246 ? 33.663 5.568 -11.989 1.00 47.47 ? 246 ILE A O 1 ATOM 1909 C CB . ILE A 1 246 ? 33.644 8.666 -10.534 1.00 45.05 ? 246 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 246 ? 33.008 9.438 -9.368 1.00 44.34 ? 246 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 246 ? 32.834 8.882 -11.808 1.00 45.03 ? 246 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 246 ? 33.027 10.946 -9.520 1.00 43.83 ? 246 ILE A CD1 1 ATOM 1913 O OXT . ILE A 1 246 ? 35.505 6.559 -11.713 1.00 47.55 ? 246 ILE A OXT 1 HETATM 1914 C C1 . NAG B 2 . ? 31.572 29.618 -17.979 1.00 53.08 ? 301 NAG A C1 1 HETATM 1915 C C2 . NAG B 2 . ? 31.490 30.198 -19.394 1.00 57.33 ? 301 NAG A C2 1 HETATM 1916 C C3 . NAG B 2 . ? 30.507 31.369 -19.521 1.00 57.77 ? 301 NAG A C3 1 HETATM 1917 C C4 . NAG B 2 . ? 29.246 31.183 -18.686 1.00 57.70 ? 301 NAG A C4 1 HETATM 1918 C C5 . NAG B 2 . ? 29.620 30.729 -17.281 1.00 57.22 ? 301 NAG A C5 1 HETATM 1919 C C6 . NAG B 2 . ? 28.403 30.560 -16.374 1.00 57.78 ? 301 NAG A C6 1 HETATM 1920 C C7 . NAG B 2 . ? 33.740 29.793 -20.278 1.00 60.74 ? 301 NAG A C7 1 HETATM 1921 C C8 . NAG B 2 . ? 35.087 30.366 -20.614 1.00 61.13 ? 301 NAG A C8 1 HETATM 1922 N N2 . NAG B 2 . ? 32.828 30.628 -19.773 1.00 58.82 ? 301 NAG A N2 1 HETATM 1923 O O3 . NAG B 2 . ? 30.128 31.544 -20.868 1.00 57.90 ? 301 NAG A O3 1 HETATM 1924 O O4 . NAG B 2 . ? 28.546 32.406 -18.635 1.00 58.81 ? 301 NAG A O4 1 HETATM 1925 O O5 . NAG B 2 . ? 30.291 29.495 -17.400 1.00 55.83 ? 301 NAG A O5 1 HETATM 1926 O O6 . NAG B 2 . ? 27.473 29.673 -16.957 1.00 58.69 ? 301 NAG A O6 1 HETATM 1927 O O7 . NAG B 2 . ? 33.527 28.596 -20.473 1.00 62.10 ? 301 NAG A O7 1 HETATM 1928 C C1 . GOL C 3 . ? 5.510 17.832 8.697 1.00 43.14 ? 302 GOL A C1 1 HETATM 1929 O O1 . GOL C 3 . ? 4.564 16.764 8.817 1.00 43.90 ? 302 GOL A O1 1 HETATM 1930 C C2 . GOL C 3 . ? 6.249 18.046 10.016 1.00 43.11 ? 302 GOL A C2 1 HETATM 1931 O O2 . GOL C 3 . ? 5.973 16.971 10.933 1.00 41.46 ? 302 GOL A O2 1 HETATM 1932 C C3 . GOL C 3 . ? 5.819 19.387 10.611 1.00 42.93 ? 302 GOL A C3 1 HETATM 1933 O O3 . GOL C 3 . ? 6.413 19.595 11.896 1.00 42.47 ? 302 GOL A O3 1 HETATM 1934 C C1 . GOL D 3 . ? 31.008 26.347 -1.771 1.00 53.20 ? 303 GOL A C1 1 HETATM 1935 O O1 . GOL D 3 . ? 30.954 27.650 -2.367 1.00 54.04 ? 303 GOL A O1 1 HETATM 1936 C C2 . GOL D 3 . ? 29.643 25.930 -1.216 1.00 52.81 ? 303 GOL A C2 1 HETATM 1937 O O2 . GOL D 3 . ? 28.583 26.590 -1.920 1.00 52.33 ? 303 GOL A O2 1 HETATM 1938 C C3 . GOL D 3 . ? 29.521 26.240 0.277 1.00 53.72 ? 303 GOL A C3 1 HETATM 1939 O O3 . GOL D 3 . ? 30.107 27.510 0.597 1.00 54.36 ? 303 GOL A O3 1 HETATM 1940 O O3P . C5P E 4 . ? 21.614 3.310 -10.096 1.00 59.60 ? 304 C5P A O3P 1 HETATM 1941 P P . C5P E 4 . ? 20.931 4.629 -10.263 1.00 59.78 ? 304 C5P A P 1 HETATM 1942 O O1P . C5P E 4 . ? 19.607 4.460 -10.903 1.00 57.20 ? 304 C5P A O1P 1 HETATM 1943 O O2P . C5P E 4 . ? 21.830 5.620 -10.882 1.00 60.54 ? 304 C5P A O2P 1 HETATM 1944 O "O5'" . C5P E 4 . ? 20.711 5.284 -8.801 1.00 56.16 ? 304 C5P A "O5'" 1 HETATM 1945 C "C5'" . C5P E 4 . ? 21.625 5.155 -7.749 1.00 53.79 ? 304 C5P A "C5'" 1 HETATM 1946 C "C4'" . C5P E 4 . ? 21.361 6.246 -6.743 1.00 53.18 ? 304 C5P A "C4'" 1 HETATM 1947 O "O4'" . C5P E 4 . ? 20.665 5.723 -5.640 1.00 52.38 ? 304 C5P A "O4'" 1 HETATM 1948 C "C3'" . C5P E 4 . ? 22.609 6.911 -6.175 1.00 52.90 ? 304 C5P A "C3'" 1 HETATM 1949 O "O3'" . C5P E 4 . ? 22.894 8.156 -6.807 1.00 52.72 ? 304 C5P A "O3'" 1 HETATM 1950 C "C2'" . C5P E 4 . ? 22.339 7.089 -4.701 1.00 52.27 ? 304 C5P A "C2'" 1 HETATM 1951 O "O2'" . C5P E 4 . ? 21.945 8.418 -4.351 1.00 52.97 ? 304 C5P A "O2'" 1 HETATM 1952 C "C1'" . C5P E 4 . ? 21.197 6.136 -4.411 1.00 51.01 ? 304 C5P A "C1'" 1 HETATM 1953 N N1 . C5P E 4 . ? 21.677 4.963 -3.702 1.00 49.60 ? 304 C5P A N1 1 HETATM 1954 C C2 . C5P E 4 . ? 21.586 4.964 -2.301 1.00 48.58 ? 304 C5P A C2 1 HETATM 1955 N N3 . C5P E 4 . ? 22.032 3.902 -1.609 1.00 48.37 ? 304 C5P A N3 1 HETATM 1956 C C4 . C5P E 4 . ? 22.562 2.859 -2.242 1.00 47.52 ? 304 C5P A C4 1 HETATM 1957 C C5 . C5P E 4 . ? 22.663 2.835 -3.626 1.00 48.19 ? 304 C5P A C5 1 HETATM 1958 C C6 . C5P E 4 . ? 22.204 3.924 -4.336 1.00 48.59 ? 304 C5P A C6 1 HETATM 1959 O O2 . C5P E 4 . ? 21.137 5.936 -1.692 1.00 46.99 ? 304 C5P A O2 1 HETATM 1960 N N4 . C5P E 4 . ? 22.971 1.839 -1.509 1.00 47.35 ? 304 C5P A N4 1 HETATM 1961 O O . HOH F 5 . ? 30.288 -0.462 2.553 1.00 32.87 ? 401 HOH A O 1 HETATM 1962 O O . HOH F 5 . ? 25.094 33.792 -9.906 1.00 87.50 ? 402 HOH A O 1 HETATM 1963 O O . HOH F 5 . ? 40.330 1.774 3.306 1.00 69.55 ? 403 HOH A O 1 HETATM 1964 O O . HOH F 5 . ? 14.524 -4.956 -11.049 1.00 41.74 ? 404 HOH A O 1 HETATM 1965 O O . HOH F 5 . ? 31.924 31.522 -22.673 1.00 59.38 ? 405 HOH A O 1 HETATM 1966 O O . HOH F 5 . ? 12.609 25.377 -8.868 1.00 44.56 ? 406 HOH A O 1 HETATM 1967 O O . HOH F 5 . ? 5.163 18.742 13.959 1.00 39.92 ? 407 HOH A O 1 HETATM 1968 O O . HOH F 5 . ? 28.450 25.301 -4.129 1.00 28.95 ? 408 HOH A O 1 HETATM 1969 O O . HOH F 5 . ? 30.754 -8.483 3.172 1.00 61.56 ? 409 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? 34.212 9.682 -2.307 1.00 29.63 ? 410 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? 27.291 34.485 -17.694 1.00 54.70 ? 411 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? 10.247 11.413 -5.519 1.00 26.90 ? 412 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? 12.443 12.443 20.210 1.00 44.18 ? 413 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? 17.187 19.510 13.556 1.00 31.45 ? 414 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? 22.053 10.689 -6.998 1.00 34.89 ? 415 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? 29.083 26.872 -16.879 1.00 39.90 ? 416 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? 17.016 2.901 15.966 1.00 43.98 ? 417 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? 21.586 23.677 6.214 1.00 31.84 ? 418 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? 27.659 7.827 13.227 1.00 30.94 ? 419 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? 4.925 -1.046 7.044 1.00 43.64 ? 420 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? 19.833 16.452 -16.648 1.00 59.41 ? 421 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? 23.739 14.596 -16.149 1.00 41.36 ? 422 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? 26.102 8.614 -7.322 1.00 48.29 ? 423 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? 21.678 8.628 -9.095 1.00 47.97 ? 424 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? 19.752 -11.210 5.329 1.00 27.71 ? 425 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? 9.693 26.376 -19.081 1.00 63.53 ? 426 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? 5.648 3.581 0.467 1.00 36.98 ? 427 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? 13.197 -15.144 18.749 1.00 50.71 ? 428 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? 36.943 9.153 -12.569 1.00 48.42 ? 429 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? 12.157 -5.468 14.921 1.00 39.21 ? 430 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? 30.767 34.107 -21.154 1.00 69.07 ? 431 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? 22.584 12.013 16.787 1.00 41.55 ? 432 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? 34.508 14.496 -23.438 1.00 56.19 ? 433 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? 12.891 19.059 14.216 1.00 28.07 ? 434 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? 17.262 6.040 16.580 1.00 38.64 ? 435 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? 3.383 11.849 0.316 1.00 26.78 ? 436 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? 43.757 24.722 -13.591 1.00 34.20 ? 437 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? 24.430 -6.241 11.012 1.00 33.33 ? 438 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? 22.049 -6.998 11.921 1.00 25.79 ? 439 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? 39.137 14.964 1.000 1.00 38.31 ? 440 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? 21.774 -2.994 -8.697 1.00 52.59 ? 441 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? 9.825 -5.704 -3.281 1.00 32.73 ? 442 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? -0.229 10.728 15.192 1.00 34.76 ? 443 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? 17.012 15.913 16.534 1.00 43.66 ? 444 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? 7.772 -4.665 -5.166 1.00 29.54 ? 445 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? 6.465 27.607 9.310 1.00 53.73 ? 446 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? 32.450 26.620 -5.721 1.00 35.46 ? 447 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? 41.731 23.175 -21.833 1.00 50.41 ? 448 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? 4.373 22.208 -1.133 1.00 36.70 ? 449 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? -0.184 6.043 -7.242 1.00 43.41 ? 450 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? 35.173 14.105 -18.837 1.00 41.76 ? 451 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? 22.086 8.458 -1.348 1.00 33.74 ? 452 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? 31.149 -8.539 10.994 1.00 43.76 ? 453 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? 6.362 22.780 -3.114 1.00 44.78 ? 454 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? 11.841 19.461 -5.807 1.00 29.75 ? 455 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? 29.094 7.191 -9.701 1.00 39.15 ? 456 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? 11.444 -2.191 7.125 1.00 29.05 ? 457 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? 23.330 -8.716 -0.509 1.00 35.37 ? 458 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? 13.776 -3.868 -8.447 1.00 36.38 ? 459 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? 42.021 17.766 -16.080 1.00 46.43 ? 460 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? 13.599 -9.555 1.928 1.00 27.51 ? 461 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? 5.216 10.185 -0.956 1.00 26.80 ? 462 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? 9.173 22.446 -7.136 1.00 39.04 ? 463 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? 27.440 16.814 12.509 1.00 33.05 ? 464 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? 34.140 11.167 3.142 1.00 29.00 ? 465 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? 40.364 14.221 -7.028 1.00 42.51 ? 466 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? 28.383 11.822 13.258 1.00 48.92 ? 467 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? 32.956 4.518 -2.029 1.00 49.47 ? 468 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? 33.337 17.240 8.189 1.00 43.43 ? 469 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? 41.287 12.476 -2.787 1.00 37.71 ? 470 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? 20.892 -9.363 13.148 1.00 39.85 ? 471 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? 24.848 15.792 -18.511 1.00 43.92 ? 472 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? 3.441 1.641 4.373 1.00 34.70 ? 473 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? 26.586 11.356 18.076 1.00 53.25 ? 474 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? 29.404 3.038 12.004 1.00 42.31 ? 475 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? 39.106 24.917 -2.682 1.00 36.22 ? 476 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? 23.280 -7.034 1.741 1.00 26.91 ? 477 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? 3.557 7.566 -4.404 1.00 35.22 ? 478 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? 13.479 8.641 -12.398 1.00 48.74 ? 479 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? 19.629 18.046 13.601 1.00 32.95 ? 480 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? 9.782 13.437 16.074 1.00 28.64 ? 481 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? 31.582 13.463 -16.291 1.00 40.27 ? 482 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? 32.320 -9.630 15.331 1.00 39.55 ? 483 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? 4.091 5.670 14.522 1.00 42.37 ? 484 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? 8.714 15.126 -11.162 1.00 46.05 ? 485 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? 11.135 -3.756 12.119 1.00 32.43 ? 486 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? 6.206 2.007 -2.783 1.00 34.50 ? 487 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? 30.312 -7.527 0.426 1.00 44.74 ? 488 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? 33.198 25.699 2.026 1.00 44.68 ? 489 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? 33.339 22.596 -20.796 1.00 43.74 ? 490 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? 26.150 11.736 -12.962 1.00 30.06 ? 491 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? 35.677 -1.194 12.650 1.00 56.22 ? 492 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? 5.583 -5.898 -0.084 1.00 28.44 ? 493 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? 8.374 -6.021 10.477 1.00 36.42 ? 494 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? 40.214 24.545 -5.686 1.00 43.17 ? 495 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? 9.602 -1.448 14.623 1.00 40.93 ? 496 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? 31.459 17.783 4.551 1.00 43.20 ? 497 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? 20.597 -6.504 -6.420 1.00 55.69 ? 498 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? 5.437 -6.369 8.676 1.00 41.95 ? 499 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? 15.559 10.151 -13.792 1.00 38.88 ? 500 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? 33.728 27.637 -8.124 1.00 41.56 ? 501 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? 25.364 23.188 5.433 1.00 36.76 ? 502 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? 22.063 15.947 14.756 1.00 30.66 ? 503 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? 28.561 2.265 -1.374 1.00 43.34 ? 504 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? 29.664 0.449 13.886 1.00 58.17 ? 505 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? 23.837 27.136 -13.007 1.00 74.98 ? 506 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? 4.500 0.401 9.390 1.00 43.44 ? 507 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? 28.692 33.015 -22.871 1.00 65.98 ? 508 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? 28.784 28.221 -20.574 1.00 62.38 ? 509 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? 13.400 2.500 -12.861 1.00 44.41 ? 510 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? 25.379 27.847 -0.523 1.00 53.79 ? 511 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? 14.531 1.585 16.108 1.00 35.39 ? 512 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? 4.943 23.335 2.997 1.00 29.28 ? 513 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? 7.341 -2.177 -11.619 1.00 47.74 ? 514 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? 11.547 19.620 16.543 1.00 34.46 ? 515 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? 5.031 13.957 -12.121 1.00 50.58 ? 516 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? 6.328 6.971 20.796 1.00 47.48 ? 517 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? 6.959 8.105 2.181 1.00 36.69 ? 518 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? 15.187 27.953 2.171 1.00 51.61 ? 519 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? 1.422 19.038 -4.125 1.00 39.90 ? 520 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? 26.601 21.167 12.298 1.00 43.16 ? 521 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? 4.845 12.934 19.558 1.00 59.61 ? 522 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? 3.690 -1.021 4.627 1.00 51.62 ? 523 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? 7.233 19.798 -8.800 1.00 37.19 ? 524 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? 35.623 3.311 -1.385 1.00 46.21 ? 525 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? 10.574 3.399 17.690 1.00 34.48 ? 526 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? 16.406 -14.101 14.941 1.00 36.14 ? 527 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? 30.837 5.490 -11.269 1.00 53.01 ? 528 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? 28.057 22.530 6.247 1.00 50.45 ? 529 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? 33.202 6.318 -14.777 1.00 61.51 ? 530 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? 2.898 16.678 -6.347 1.00 30.06 ? 531 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? 27.558 15.051 -19.496 1.00 50.59 ? 532 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? 2.914 -2.983 -0.422 1.00 39.59 ? 533 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? 6.197 5.490 2.817 1.00 43.81 ? 534 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? 43.705 29.825 -14.604 1.00 50.25 ? 535 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? 27.468 -2.331 -3.769 1.00 34.49 ? 536 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? 39.206 21.536 -21.781 1.00 53.82 ? 537 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? 8.075 26.385 3.907 1.00 55.22 ? 538 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? 9.483 20.683 -12.519 1.00 42.81 ? 539 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? 26.934 -3.003 15.206 1.00 38.19 ? 540 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? 18.170 -4.955 -7.346 1.00 38.11 ? 541 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? 24.136 5.194 18.514 1.00 59.61 ? 542 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? 10.236 23.804 -12.696 1.00 62.75 ? 543 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? 14.031 2.924 -15.724 1.00 62.44 ? 544 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? 6.894 10.248 -14.650 1.00 51.09 ? 545 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? 15.410 -6.064 -7.282 1.00 45.80 ? 546 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? 13.278 25.137 14.692 1.00 53.10 ? 547 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? 12.715 22.261 -12.641 1.00 40.07 ? 548 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? 11.290 9.691 20.783 1.00 48.63 ? 549 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? 20.308 -11.912 -4.718 1.00 45.17 ? 550 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? 18.535 26.253 9.655 1.00 41.50 ? 551 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? 18.002 -5.839 19.011 1.00 39.34 ? 552 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? 1.923 11.718 -8.862 1.00 62.13 ? 553 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? 41.705 16.660 -5.617 1.00 63.26 ? 554 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? 24.828 15.686 15.582 1.00 49.37 ? 555 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? 19.201 27.308 -5.151 1.00 62.10 ? 556 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? 23.453 0.192 -5.990 1.00 60.17 ? 557 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? 37.831 3.570 -5.065 1.00 62.33 ? 558 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? 3.034 9.770 2.156 1.00 25.75 ? 559 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? 9.078 -1.701 5.370 1.00 28.40 ? 560 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? 22.298 25.800 -9.183 1.00 41.66 ? 561 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? 42.630 25.749 -20.659 1.00 38.01 ? 562 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? 17.979 -7.726 -5.820 1.00 51.09 ? 563 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? 19.574 22.724 -11.731 1.00 43.40 ? 564 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? 9.815 25.389 -6.339 1.00 56.41 ? 565 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? 34.782 19.724 -24.112 1.00 54.24 ? 566 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? 7.971 26.997 13.618 1.00 59.56 ? 567 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? 39.517 19.242 6.460 1.00 52.71 ? 568 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? 17.335 14.874 21.825 1.00 65.20 ? 569 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? 22.632 -8.028 4.258 1.00 37.87 ? 570 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? 5.646 26.405 0.166 1.00 51.81 ? 571 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? 30.712 11.093 11.631 1.00 54.58 ? 572 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? 41.463 22.335 0.981 1.00 37.98 ? 573 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? 33.730 -0.530 5.846 1.00 37.71 ? 574 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? 18.326 26.651 6.297 1.00 58.28 ? 575 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? 0.929 -1.675 2.474 1.00 59.95 ? 576 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? 11.221 27.824 10.117 1.00 43.78 ? 577 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? 40.538 6.855 5.541 1.00 53.78 ? 578 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? 29.097 21.957 2.332 1.00 48.57 ? 579 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? 25.404 0.144 14.957 1.00 38.59 ? 580 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? 18.761 26.227 3.328 1.00 61.07 ? 581 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? 11.650 -6.584 -5.213 1.00 37.97 ? 582 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? 15.374 17.702 14.959 1.00 29.21 ? 583 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? 3.261 5.151 6.463 1.00 40.77 ? 584 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? 20.759 -9.349 20.384 1.00 60.64 ? 585 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? 43.225 25.861 -10.864 1.00 60.57 ? 586 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? 31.197 4.521 -4.448 1.00 53.27 ? 587 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? 36.264 16.467 8.100 1.00 50.39 ? 588 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? 25.639 -8.430 -2.143 1.00 40.14 ? 589 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? 21.105 -12.156 1.744 1.00 42.30 ? 590 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? 25.228 29.976 -13.679 1.00 37.84 ? 591 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? 24.699 10.837 -9.799 1.00 31.72 ? 592 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? 12.945 27.242 0.544 1.00 50.63 ? 593 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? 18.216 13.961 -15.552 1.00 45.36 ? 594 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? 33.525 33.433 -20.935 1.00 51.73 ? 595 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? 14.907 25.846 -4.128 1.00 50.07 ? 596 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? 3.041 3.848 -12.242 1.00 51.14 ? 597 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? 19.495 11.871 19.568 1.00 62.50 ? 598 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? 13.511 7.006 -14.296 1.00 58.50 ? 599 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? 3.962 9.678 12.953 1.00 37.81 ? 600 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? 43.686 10.471 -2.162 1.00 64.49 ? 601 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? 21.886 29.269 -3.196 1.00 64.79 ? 602 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? 25.443 32.832 -19.412 1.00 60.30 ? 603 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? 15.190 16.800 20.530 1.00 60.45 ? 604 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? 8.274 2.203 -12.316 1.00 50.51 ? 605 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? 34.487 29.819 -9.291 1.00 51.68 ? 606 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? 37.727 10.473 -17.476 1.00 55.72 ? 607 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? 40.185 4.481 -9.221 1.00 58.18 ? 608 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? 9.609 9.389 -15.234 1.00 57.81 ? 609 HOH A O 1 HETATM 2170 O O . HOH F 5 . ? 26.551 0.797 -3.790 1.00 57.26 ? 610 HOH A O 1 HETATM 2171 O O . HOH F 5 . ? 33.568 -6.573 12.268 1.00 57.09 ? 611 HOH A O 1 HETATM 2172 O O . HOH F 5 . ? 41.237 13.563 -0.230 1.00 46.80 ? 612 HOH A O 1 HETATM 2173 O O . HOH F 5 . ? 9.089 24.012 -15.331 1.00 60.85 ? 613 HOH A O 1 HETATM 2174 O O . HOH F 5 . ? 36.599 28.898 -14.962 1.00 49.24 ? 614 HOH A O 1 HETATM 2175 O O . HOH F 5 . ? 44.662 17.896 -8.071 1.00 61.81 ? 615 HOH A O 1 HETATM 2176 O O . HOH F 5 . ? 19.821 16.891 -23.251 1.00 36.80 ? 616 HOH A O 1 HETATM 2177 O O . HOH F 5 . ? 33.562 14.723 10.321 1.00 57.98 ? 617 HOH A O 1 HETATM 2178 O O . HOH F 5 . ? 42.584 11.594 4.119 1.00 61.13 ? 618 HOH A O 1 HETATM 2179 O O . HOH F 5 . ? 24.634 3.869 -7.728 1.00 52.27 ? 619 HOH A O 1 HETATM 2180 O O . HOH F 5 . ? 31.376 23.398 9.966 1.00 57.59 ? 620 HOH A O 1 HETATM 2181 O O . HOH F 5 . ? -1.897 26.118 0.388 1.00 50.96 ? 621 HOH A O 1 HETATM 2182 O O . HOH F 5 . ? 11.211 -5.220 -7.819 1.00 45.02 ? 622 HOH A O 1 HETATM 2183 O O . HOH F 5 . ? 10.709 3.260 -13.262 1.00 49.19 ? 623 HOH A O 1 HETATM 2184 O O . HOH F 5 . ? 11.307 29.921 -21.770 1.00 49.63 ? 624 HOH A O 1 HETATM 2185 O O . HOH F 5 . ? 23.664 25.588 6.170 1.00 44.24 ? 625 HOH A O 1 HETATM 2186 O O . HOH F 5 . ? 32.979 20.904 9.724 1.00 65.63 ? 626 HOH A O 1 HETATM 2187 O O . HOH F 5 . ? 19.122 -3.267 18.060 1.00 55.68 ? 627 HOH A O 1 HETATM 2188 O O . HOH F 5 . ? 28.500 14.646 13.866 1.00 47.23 ? 628 HOH A O 1 HETATM 2189 O O . HOH F 5 . ? 18.853 8.355 19.345 1.00 48.07 ? 629 HOH A O 1 HETATM 2190 O O . HOH F 5 . ? 7.647 12.538 20.193 1.00 61.20 ? 630 HOH A O 1 HETATM 2191 O O . HOH F 5 . ? 22.944 9.972 19.253 1.00 45.18 ? 631 HOH A O 1 HETATM 2192 O O . HOH F 5 . ? 5.904 6.102 -1.172 1.00 41.38 ? 632 HOH A O 1 HETATM 2193 O O . HOH F 5 . ? 2.672 -0.211 -1.091 1.00 40.62 ? 633 HOH A O 1 HETATM 2194 O O . HOH F 5 . ? 0.400 -3.785 0.536 1.00 56.46 ? 634 HOH A O 1 HETATM 2195 O O . HOH F 5 . ? 18.521 24.021 -9.394 1.00 52.39 ? 635 HOH A O 1 HETATM 2196 O O . HOH F 5 . ? 30.922 10.818 -15.384 1.00 47.60 ? 636 HOH A O 1 HETATM 2197 O O . HOH F 5 . ? 22.713 14.888 17.442 1.00 59.25 ? 637 HOH A O 1 HETATM 2198 O O . HOH F 5 . ? 26.370 13.380 -15.481 1.00 42.31 ? 638 HOH A O 1 HETATM 2199 O O . HOH F 5 . ? 8.624 1.091 16.726 1.00 47.37 ? 639 HOH A O 1 HETATM 2200 O O . HOH F 5 . ? 16.340 21.183 -24.431 1.00 50.78 ? 640 HOH A O 1 HETATM 2201 O O . HOH F 5 . ? 18.113 -0.554 -14.228 1.00 47.99 ? 641 HOH A O 1 HETATM 2202 O O . HOH F 5 . ? 31.066 23.972 2.820 1.00 49.69 ? 642 HOH A O 1 HETATM 2203 O O . HOH F 5 . ? 8.456 22.110 -10.066 1.00 53.19 ? 643 HOH A O 1 HETATM 2204 O O . HOH F 5 . ? 18.401 17.418 -19.138 1.00 50.10 ? 644 HOH A O 1 HETATM 2205 O O . HOH F 5 . ? 10.062 13.311 18.796 1.00 39.72 ? 645 HOH A O 1 HETATM 2206 O O . HOH F 5 . ? 11.599 -8.435 -7.438 1.00 53.91 ? 646 HOH A O 1 HETATM 2207 O O . HOH F 5 . ? 13.777 1.893 18.866 1.00 44.56 ? 647 HOH A O 1 HETATM 2208 O O . HOH F 5 . ? 16.415 28.077 -7.362 1.00 59.33 ? 648 HOH A O 1 HETATM 2209 O O . HOH F 5 . ? 2.703 25.085 2.780 1.00 46.15 ? 649 HOH A O 1 HETATM 2210 O O . HOH F 5 . ? 18.907 27.114 -8.709 1.00 53.01 ? 650 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 GOL 1 302 247 GOL GOL A . D 3 GOL 1 303 248 GOL GOL A . E 4 C5P 1 304 1 C5P C5P A . F 5 HOH 1 401 22 HOH HOH A . F 5 HOH 2 402 166 HOH HOH A . F 5 HOH 3 403 142 HOH HOH A . F 5 HOH 4 404 90 HOH HOH A . F 5 HOH 5 405 155 HOH HOH A . F 5 HOH 6 406 45 HOH HOH A . F 5 HOH 7 407 68 HOH HOH A . F 5 HOH 8 408 125 HOH HOH A . F 5 HOH 9 409 246 HOH HOH A . F 5 HOH 10 410 28 HOH HOH A . F 5 HOH 11 411 224 HOH HOH A . F 5 HOH 12 412 13 HOH HOH A . F 5 HOH 13 413 106 HOH HOH A . F 5 HOH 14 414 60 HOH HOH A . F 5 HOH 15 415 99 HOH HOH A . F 5 HOH 16 416 57 HOH HOH A . F 5 HOH 17 417 174 HOH HOH A . F 5 HOH 18 418 169 HOH HOH A . F 5 HOH 19 419 36 HOH HOH A . F 5 HOH 20 420 223 HOH HOH A . F 5 HOH 21 421 165 HOH HOH A . F 5 HOH 22 422 129 HOH HOH A . F 5 HOH 23 423 170 HOH HOH A . F 5 HOH 24 424 226 HOH HOH A . F 5 HOH 25 425 9 HOH HOH A . F 5 HOH 26 426 245 HOH HOH A . F 5 HOH 27 427 79 HOH HOH A . F 5 HOH 28 428 194 HOH HOH A . F 5 HOH 29 429 143 HOH HOH A . F 5 HOH 30 430 102 HOH HOH A . F 5 HOH 31 431 171 HOH HOH A . F 5 HOH 32 432 111 HOH HOH A . F 5 HOH 33 433 147 HOH HOH A . F 5 HOH 34 434 7 HOH HOH A . F 5 HOH 35 435 80 HOH HOH A . F 5 HOH 36 436 21 HOH HOH A . F 5 HOH 37 437 32 HOH HOH A . F 5 HOH 38 438 38 HOH HOH A . F 5 HOH 39 439 19 HOH HOH A . F 5 HOH 40 440 51 HOH HOH A . F 5 HOH 41 441 200 HOH HOH A . F 5 HOH 42 442 37 HOH HOH A . F 5 HOH 43 443 117 HOH HOH A . F 5 HOH 44 444 101 HOH HOH A . F 5 HOH 45 445 29 HOH HOH A . F 5 HOH 46 446 137 HOH HOH A . F 5 HOH 47 447 49 HOH HOH A . F 5 HOH 48 448 183 HOH HOH A . F 5 HOH 49 449 50 HOH HOH A . F 5 HOH 50 450 231 HOH HOH A . F 5 HOH 51 451 204 HOH HOH A . F 5 HOH 52 452 14 HOH HOH A . F 5 HOH 53 453 199 HOH HOH A . F 5 HOH 54 454 145 HOH HOH A . F 5 HOH 55 455 18 HOH HOH A . F 5 HOH 56 456 107 HOH HOH A . F 5 HOH 57 457 3 HOH HOH A . F 5 HOH 58 458 176 HOH HOH A . F 5 HOH 59 459 41 HOH HOH A . F 5 HOH 60 460 71 HOH HOH A . F 5 HOH 61 461 8 HOH HOH A . F 5 HOH 62 462 30 HOH HOH A . F 5 HOH 63 463 26 HOH HOH A . F 5 HOH 64 464 52 HOH HOH A . F 5 HOH 65 465 25 HOH HOH A . F 5 HOH 66 466 144 HOH HOH A . F 5 HOH 67 467 67 HOH HOH A . F 5 HOH 68 468 244 HOH HOH A . F 5 HOH 69 469 138 HOH HOH A . F 5 HOH 70 470 61 HOH HOH A . F 5 HOH 71 471 62 HOH HOH A . F 5 HOH 72 472 140 HOH HOH A . F 5 HOH 73 473 177 HOH HOH A . F 5 HOH 74 474 149 HOH HOH A . F 5 HOH 75 475 116 HOH HOH A . F 5 HOH 76 476 27 HOH HOH A . F 5 HOH 77 477 1 HOH HOH A . F 5 HOH 78 478 72 HOH HOH A . F 5 HOH 79 479 188 HOH HOH A . F 5 HOH 80 480 53 HOH HOH A . F 5 HOH 81 481 39 HOH HOH A . F 5 HOH 82 482 64 HOH HOH A . F 5 HOH 83 483 181 HOH HOH A . F 5 HOH 84 484 132 HOH HOH A . F 5 HOH 85 485 160 HOH HOH A . F 5 HOH 86 486 35 HOH HOH A . F 5 HOH 87 487 48 HOH HOH A . F 5 HOH 88 488 78 HOH HOH A . F 5 HOH 89 489 135 HOH HOH A . F 5 HOH 90 490 103 HOH HOH A . F 5 HOH 91 491 24 HOH HOH A . F 5 HOH 92 492 148 HOH HOH A . F 5 HOH 93 493 23 HOH HOH A . F 5 HOH 94 494 87 HOH HOH A . F 5 HOH 95 495 17 HOH HOH A . F 5 HOH 96 496 248 HOH HOH A . F 5 HOH 97 497 122 HOH HOH A . F 5 HOH 98 498 164 HOH HOH A . F 5 HOH 99 499 77 HOH HOH A . F 5 HOH 100 500 65 HOH HOH A . F 5 HOH 101 501 210 HOH HOH A . F 5 HOH 102 502 44 HOH HOH A . F 5 HOH 103 503 11 HOH HOH A . F 5 HOH 104 504 81 HOH HOH A . F 5 HOH 105 505 247 HOH HOH A . F 5 HOH 106 506 220 HOH HOH A . F 5 HOH 107 507 123 HOH HOH A . F 5 HOH 108 508 110 HOH HOH A . F 5 HOH 109 509 118 HOH HOH A . F 5 HOH 110 510 75 HOH HOH A . F 5 HOH 111 511 100 HOH HOH A . F 5 HOH 112 512 5 HOH HOH A . F 5 HOH 113 513 63 HOH HOH A . F 5 HOH 114 514 202 HOH HOH A . F 5 HOH 115 515 34 HOH HOH A . F 5 HOH 116 516 163 HOH HOH A . F 5 HOH 117 517 233 HOH HOH A . F 5 HOH 118 518 190 HOH HOH A . F 5 HOH 119 519 173 HOH HOH A . F 5 HOH 120 520 178 HOH HOH A . F 5 HOH 121 521 206 HOH HOH A . F 5 HOH 122 522 250 HOH HOH A . F 5 HOH 123 523 2 HOH HOH A . F 5 HOH 124 524 56 HOH HOH A . F 5 HOH 125 525 131 HOH HOH A . F 5 HOH 126 526 43 HOH HOH A . F 5 HOH 127 527 73 HOH HOH A . F 5 HOH 128 528 197 HOH HOH A . F 5 HOH 129 529 84 HOH HOH A . F 5 HOH 130 530 227 HOH HOH A . F 5 HOH 131 531 85 HOH HOH A . F 5 HOH 132 532 237 HOH HOH A . F 5 HOH 133 533 104 HOH HOH A . F 5 HOH 134 534 40 HOH HOH A . F 5 HOH 135 535 114 HOH HOH A . F 5 HOH 136 536 74 HOH HOH A . F 5 HOH 137 537 152 HOH HOH A . F 5 HOH 138 538 213 HOH HOH A . F 5 HOH 139 539 98 HOH HOH A . F 5 HOH 140 540 15 HOH HOH A . F 5 HOH 141 541 10 HOH HOH A . F 5 HOH 142 542 242 HOH HOH A . F 5 HOH 143 543 241 HOH HOH A . F 5 HOH 144 544 126 HOH HOH A . F 5 HOH 145 545 139 HOH HOH A . F 5 HOH 146 546 159 HOH HOH A . F 5 HOH 147 547 221 HOH HOH A . F 5 HOH 148 548 66 HOH HOH A . F 5 HOH 149 549 240 HOH HOH A . F 5 HOH 150 550 158 HOH HOH A . F 5 HOH 151 551 83 HOH HOH A . F 5 HOH 152 552 93 HOH HOH A . F 5 HOH 153 553 243 HOH HOH A . F 5 HOH 154 554 133 HOH HOH A . F 5 HOH 155 555 91 HOH HOH A . F 5 HOH 156 556 187 HOH HOH A . F 5 HOH 157 557 130 HOH HOH A . F 5 HOH 158 558 154 HOH HOH A . F 5 HOH 159 559 33 HOH HOH A . F 5 HOH 160 560 55 HOH HOH A . F 5 HOH 161 561 121 HOH HOH A . F 5 HOH 162 562 124 HOH HOH A . F 5 HOH 163 563 208 HOH HOH A . F 5 HOH 164 564 4 HOH HOH A . F 5 HOH 165 565 161 HOH HOH A . F 5 HOH 166 566 238 HOH HOH A . F 5 HOH 167 567 236 HOH HOH A . F 5 HOH 168 568 46 HOH HOH A . F 5 HOH 169 569 249 HOH HOH A . F 5 HOH 170 570 175 HOH HOH A . F 5 HOH 171 571 112 HOH HOH A . F 5 HOH 172 572 157 HOH HOH A . F 5 HOH 173 573 47 HOH HOH A . F 5 HOH 174 574 59 HOH HOH A . F 5 HOH 175 575 119 HOH HOH A . F 5 HOH 176 576 234 HOH HOH A . F 5 HOH 177 577 89 HOH HOH A . F 5 HOH 178 578 88 HOH HOH A . F 5 HOH 179 579 16 HOH HOH A . F 5 HOH 180 580 31 HOH HOH A . F 5 HOH 181 581 150 HOH HOH A . F 5 HOH 182 582 70 HOH HOH A . F 5 HOH 183 583 12 HOH HOH A . F 5 HOH 184 584 96 HOH HOH A . F 5 HOH 185 585 151 HOH HOH A . F 5 HOH 186 586 120 HOH HOH A . F 5 HOH 187 587 235 HOH HOH A . F 5 HOH 188 588 219 HOH HOH A . F 5 HOH 189 589 82 HOH HOH A . F 5 HOH 190 590 180 HOH HOH A . F 5 HOH 191 591 6 HOH HOH A . F 5 HOH 192 592 54 HOH HOH A . F 5 HOH 193 593 20 HOH HOH A . F 5 HOH 194 594 76 HOH HOH A . F 5 HOH 195 595 172 HOH HOH A . F 5 HOH 196 596 109 HOH HOH A . F 5 HOH 197 597 239 HOH HOH A . F 5 HOH 198 598 205 HOH HOH A . F 5 HOH 199 599 69 HOH HOH A . F 5 HOH 200 600 42 HOH HOH A . F 5 HOH 201 601 182 HOH HOH A . F 5 HOH 202 602 186 HOH HOH A . F 5 HOH 203 603 225 HOH HOH A . F 5 HOH 204 604 212 HOH HOH A . F 5 HOH 205 605 108 HOH HOH A . F 5 HOH 206 606 95 HOH HOH A . F 5 HOH 207 607 127 HOH HOH A . F 5 HOH 208 608 153 HOH HOH A . F 5 HOH 209 609 203 HOH HOH A . F 5 HOH 210 610 134 HOH HOH A . F 5 HOH 211 611 230 HOH HOH A . F 5 HOH 212 612 94 HOH HOH A . F 5 HOH 213 613 222 HOH HOH A . F 5 HOH 214 614 86 HOH HOH A . F 5 HOH 215 615 209 HOH HOH A . F 5 HOH 216 616 184 HOH HOH A . F 5 HOH 217 617 218 HOH HOH A . F 5 HOH 218 618 228 HOH HOH A . F 5 HOH 219 619 146 HOH HOH A . F 5 HOH 220 620 216 HOH HOH A . F 5 HOH 221 621 198 HOH HOH A . F 5 HOH 222 622 92 HOH HOH A . F 5 HOH 223 623 168 HOH HOH A . F 5 HOH 224 624 167 HOH HOH A . F 5 HOH 225 625 115 HOH HOH A . F 5 HOH 226 626 217 HOH HOH A . F 5 HOH 227 627 58 HOH HOH A . F 5 HOH 228 628 128 HOH HOH A . F 5 HOH 229 629 232 HOH HOH A . F 5 HOH 230 630 196 HOH HOH A . F 5 HOH 231 631 201 HOH HOH A . F 5 HOH 232 632 105 HOH HOH A . F 5 HOH 233 633 193 HOH HOH A . F 5 HOH 234 634 156 HOH HOH A . F 5 HOH 235 635 215 HOH HOH A . F 5 HOH 236 636 189 HOH HOH A . F 5 HOH 237 637 162 HOH HOH A . F 5 HOH 238 638 192 HOH HOH A . F 5 HOH 239 639 141 HOH HOH A . F 5 HOH 240 640 207 HOH HOH A . F 5 HOH 241 641 191 HOH HOH A . F 5 HOH 242 642 185 HOH HOH A . F 5 HOH 243 643 97 HOH HOH A . F 5 HOH 244 644 211 HOH HOH A . F 5 HOH 245 645 195 HOH HOH A . F 5 HOH 246 646 136 HOH HOH A . F 5 HOH 247 647 113 HOH HOH A . F 5 HOH 248 648 229 HOH HOH A . F 5 HOH 249 649 179 HOH HOH A . F 5 HOH 250 650 214 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id B _pdbx_struct_mod_residue.label_comp_id NAG _pdbx_struct_mod_residue.label_seq_id ? _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id NAG _pdbx_struct_mod_residue.auth_seq_id 301 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id NAG _pdbx_struct_mod_residue.details -D # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 810 ? 1 MORE -0 ? 1 'SSA (A^2)' 11180 ? # _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 2015-06-03 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 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 SER _pdbx_validate_rmsd_angle.auth_seq_id_1 235 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CA _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 SER _pdbx_validate_rmsd_angle.auth_seq_id_2 235 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 C _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 SER _pdbx_validate_rmsd_angle.auth_seq_id_3 235 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 A _pdbx_validate_rmsd_angle.angle_value 124.41 _pdbx_validate_rmsd_angle.angle_target_value 110.10 _pdbx_validate_rmsd_angle.angle_deviation 14.31 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.90 _pdbx_validate_rmsd_angle.linker_flag 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 ? ? 57.09 -106.10 2 1 PRO A 106 ? ? -83.80 38.29 3 1 ASP A 143 ? ? -160.50 99.76 4 1 THR A 158 ? ? -119.53 -80.17 5 1 ASN A 236 ? ? -103.44 -67.99 6 1 ASN A 236 ? ? -133.14 -67.99 # 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 -15.91 2 1 SER A 235 ? B 16.90 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 "CYTIDINE-5'-MONOPHOSPHATE" C5P 5 water HOH #