data_4ZT8 # _entry.id 4ZT8 # _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 4ZT8 WWPDB D_1000209855 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2015-08-05 _pdbx_database_PDB_obs_spr.pdb_id 4ZT8 _pdbx_database_PDB_obs_spr.replace_pdb_id 4KJH _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4ZT8 _pdbx_database_status.recvd_initial_deposition_date 2015-05-14 _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 'Yamini, 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 4ZT8 _cell.details ? _cell.formula_units_Z ? _cell.length_a 130.258 _cell.length_a_esd ? _cell.length_b 130.258 _cell.length_b_esd ? _cell.length_c 39.939 _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 4ZT8 _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 '6-AMINOPYRIMIDIN-2(1H)-ONE' 111.102 1 ? ? ? ? 5 water nat water 18.015 220 ? ? ? ? # _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 4ZT8 _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 CYT non-polymer . '6-AMINOPYRIMIDIN-2(1H)-ONE' CYTOSINE 'C4 H5 N3 O' 111.102 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 4ZT8 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.41 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 48.89 _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 2013-05-01 # _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 4ZT8 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.98 _reflns.d_resolution_low 37.63 _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 16671 _reflns.number_obs 16671 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.073 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 32.3 _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 1.98 _reflns_shell.d_res_low 2.01 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 4.2 _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 99.8 _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 0.283 _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] -0.69 _refine.aniso_B[1][2] -0.69 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -0.69 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 2.25 _refine.B_iso_max ? _refine.B_iso_mean 30.105 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.962 _refine.correlation_coeff_Fo_to_Fc_free 0.945 _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 4ZT8 _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 1.98 _refine.ls_d_res_low 37.63 _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 16671 _refine.ls_number_reflns_R_free 890 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.85 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.17959 _refine.ls_R_factor_R_free 0.20423 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.17766 _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 0.186 _refine.pdbx_overall_ESU_R_Free 0.156 _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 4.250 _refine.overall_SU_ML 0.119 _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 34 _refine_hist.number_atoms_solvent 220 _refine_hist.number_atoms_total 2165 _refine_hist.d_res_high 1.98 _refine_hist.d_res_low 37.63 # 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 1979 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 1910 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.089 1.982 2691 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.720 3.000 4367 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.046 5.000 245 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 36.219 23.929 84 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 13.153 15.000 322 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 19.434 15.000 13 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.057 0.200 319 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.004 0.021 2234 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 456 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 1.071 2.885 983 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.070 2.883 982 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.844 4.318 1227 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.844 4.321 1228 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.148 3.081 996 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.147 3.081 997 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 1.983 4.547 1465 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.501 24.019 2433 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.183 23.614 2360 ? 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 1.980 _refine_ls_shell.d_res_low 2.032 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 63 _refine_ls_shell.number_reflns_R_work 1216 _refine_ls_shell.percent_reflns_obs 99.84 _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 0.316 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.240 _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 4ZT8 _struct.title ;Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 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 4ZT8 _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 ? ASN A 236 ? SER A 230 ASN A 236 1 ? 7 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 1.442 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 2 ? AA3 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 VAL A 2 ? ARG A 5 ? VAL A 2 ARG A 5 AA1 2 TYR A 47 ? PHE A 53 ? TYR A 47 PHE A 53 AA1 3 THR A 59 ? ASP A 65 ? THR A 59 ASP A 65 AA1 4 ILE A 71 ? ALA A 76 ? ILE A 71 ALA A 76 AA1 5 THR A 79 ? PHE A 82 ? THR A 79 PHE A 82 AA1 6 ARG A 101 ? THR A 104 ? ARG A 101 THR A 104 AA2 1 HIS A 27 ? VAL A 31 ? HIS A 27 VAL A 31 AA2 2 ILE A 34 ? LEU A 37 ? ILE A 34 LEU A 37 AA3 1 VAL A 208 ? VAL A 216 ? VAL A 208 VAL A 216 AA3 2 ARG A 222 ? ASN A 227 ? ARG A 222 ASN A 227 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 2 ? N VAL A 2 O HIS A 51 ? O HIS A 51 AA1 2 3 N LEU A 48 ? N LEU A 48 O VAL A 64 ? O VAL A 64 AA1 3 4 N ALA A 63 ? N ALA A 63 O MET A 72 ? O MET A 72 AA1 4 5 N ALA A 76 ? N ALA A 76 O THR A 79 ? O THR A 79 AA1 5 6 N SER A 80 ? N SER A 80 O ILE A 103 ? O ILE A 103 AA2 1 2 N VAL A 31 ? N VAL A 31 O ILE A 34 ? O ILE A 34 AA3 1 2 N LEU A 215 ? N LEU A 215 O VAL A 223 ? O VAL A 223 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A GOL 302 ? 6 'binding site for residue GOL A 302' AC2 Software A GOL 303 ? 6 'binding site for residue GOL A 303' AC3 Software A CYT 304 ? 8 'binding site for residue CYT 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 ILE A 103 ? ILE A 103 . ? 2_555 ? 5 AC1 6 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 408 . ? 1_555 ? 7 AC2 6 VAL A 233 ? VAL A 233 . ? 1_555 ? 8 AC2 6 THR A 234 ? THR A 234 . ? 1_555 ? 9 AC2 6 SER A 235 ? SER A 235 . ? 1_555 ? 10 AC2 6 ASN A 236 ? ASN A 236 . ? 1_555 ? 11 AC2 6 ILE A 237 ? ILE A 237 . ? 1_555 ? 12 AC2 6 GLN A 238 ? GLN A 238 . ? 1_555 ? 13 AC3 8 VAL A 69 ? VAL A 69 . ? 1_555 ? 14 AC3 8 TYR A 70 ? TYR A 70 . ? 1_555 ? 15 AC3 8 ILE A 71 ? ILE A 71 . ? 1_555 ? 16 AC3 8 GLY A 109 ? GLY A 109 . ? 1_555 ? 17 AC3 8 ILE A 155 ? ILE A 155 . ? 1_555 ? 18 AC3 8 ALA A 159 ? ALA A 159 . ? 1_555 ? 19 AC3 8 ARG A 163 ? ARG A 163 . ? 1_555 ? 20 AC3 8 HOH F . ? HOH A 489 . ? 1_555 ? 21 AC4 7 THR A 226 ? THR A 226 . ? 1_555 ? 22 AC4 7 ASN A 227 ? ASN A 227 . ? 1_555 ? 23 AC4 7 THR A 229 ? THR A 229 . ? 1_555 ? 24 AC4 7 HOH F . ? HOH A 402 . ? 1_555 ? 25 AC4 7 HOH F . ? HOH A 427 . ? 1_555 ? 26 AC4 7 HOH F . ? HOH A 481 . ? 1_555 ? 27 AC4 7 HOH F . ? HOH A 502 . ? 1_555 ? # _atom_sites.entry_id 4ZT8 _atom_sites.fract_transf_matrix[1][1] 0.007677 _atom_sites.fract_transf_matrix[1][2] 0.004432 _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] 0.008865 _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] 0.025038 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -22.877 18.070 15.532 1.00 39.27 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -22.006 16.986 14.979 1.00 38.65 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -22.816 15.727 14.742 1.00 36.38 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -23.892 15.560 15.308 1.00 37.75 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -20.864 16.645 15.941 1.00 39.58 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -19.998 17.846 16.291 1.00 40.31 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -20.262 18.957 15.795 1.00 41.04 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -19.044 17.674 17.078 1.00 40.75 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -22.281 14.843 13.909 1.00 33.86 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -22.866 13.525 13.692 1.00 31.40 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -21.782 12.477 13.947 1.00 30.12 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -20.586 12.786 13.881 1.00 28.63 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -23.476 13.400 12.278 1.00 31.70 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -24.591 14.422 12.098 1.00 31.53 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -22.421 13.573 11.195 1.00 32.04 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? -22.200 11.254 14.259 1.00 28.30 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.270 10.180 14.589 1.00 27.73 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -21.633 8.864 13.913 1.00 26.66 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -22.803 8.609 13.625 1.00 26.56 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -21.224 9.972 16.105 1.00 28.47 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -20.549 11.042 16.740 1.00 29.27 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -20.618 8.037 13.657 1.00 25.29 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.831 6.661 13.194 1.00 25.14 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.744 5.735 13.730 1.00 26.44 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -18.552 6.053 13.667 1.00 25.84 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -20.880 6.575 11.670 1.00 24.45 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -21.188 5.192 11.144 1.00 23.80 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.310 4.491 11.584 1.00 22.94 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -20.366 4.598 10.194 1.00 23.31 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -22.588 3.226 11.096 1.00 22.91 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -20.646 3.335 9.701 1.00 22.82 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -21.759 2.650 10.153 1.00 22.92 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -20.174 4.586 14.240 1.00 26.89 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -19.279 3.597 14.815 1.00 28.29 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -19.356 2.291 14.038 1.00 26.43 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -20.424 1.708 13.910 1.00 26.02 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -19.655 3.365 16.276 1.00 30.91 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -19.337 4.560 17.153 1.00 33.73 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -19.941 4.445 18.540 1.00 36.73 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -19.393 5.464 19.439 1.00 39.14 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -19.820 6.726 19.535 1.00 41.08 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -20.832 7.178 18.797 1.00 41.58 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -19.228 7.552 20.393 1.00 41.94 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? -18.215 1.842 13.524 1.00 24.70 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? -18.143 0.598 12.763 1.00 24.49 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? -18.254 -0.647 13.650 1.00 25.43 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? -18.661 -1.707 13.179 1.00 25.60 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? -16.851 0.536 11.933 1.00 23.84 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? -16.854 1.204 10.551 1.00 23.31 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? -17.762 0.460 9.580 1.00 23.31 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? -17.230 2.679 10.614 1.00 23.33 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? -17.884 -0.524 14.922 1.00 27.18 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -18.033 -1.633 15.869 1.00 28.59 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -19.511 -1.876 16.125 1.00 28.11 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -20.193 -1.023 16.687 1.00 28.03 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -17.325 -1.342 17.193 1.00 29.18 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -17.260 -2.515 17.997 1.00 30.25 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -19.995 -3.036 15.689 1.00 28.35 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -21.406 -3.381 15.799 1.00 28.65 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -22.289 -2.750 14.738 1.00 28.55 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -23.513 -2.846 14.831 1.00 29.15 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -21.687 -2.110 13.734 1.00 28.25 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -22.456 -1.477 12.657 1.00 28.49 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -23.204 -2.519 11.835 1.00 28.47 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -22.668 -3.591 11.549 1.00 27.79 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -21.547 -0.661 11.750 1.00 28.54 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? -24.446 -2.197 11.481 1.00 29.03 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? -25.236 -2.990 10.540 1.00 29.52 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? -26.003 -2.019 9.628 1.00 28.77 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? -25.881 -0.801 9.805 1.00 27.28 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? -26.157 -3.955 11.302 1.00 30.64 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? -27.205 -3.250 12.153 1.00 32.46 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? -27.193 -2.003 12.269 1.00 32.21 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? -28.058 -3.969 12.716 1.00 35.86 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? -26.772 -2.539 8.647 1.00 29.18 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? -27.519 -1.639 7.756 1.00 28.97 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? -28.376 -0.600 8.484 1.00 29.19 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? -28.536 0.519 7.996 1.00 28.57 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? -28.397 -2.602 6.955 1.00 29.04 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? -27.571 -3.840 6.867 1.00 28.95 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? -26.879 -3.944 8.200 1.00 28.78 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? -28.908 -0.969 9.647 1.00 30.07 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? -29.762 -0.076 10.423 1.00 30.02 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? -28.981 1.103 11.016 1.00 28.51 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? -29.351 2.260 10.818 1.00 27.23 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? -30.468 -0.854 11.535 1.00 31.13 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? -31.265 0.008 12.324 1.00 34.20 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? -27.903 0.817 11.739 1.00 26.76 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? -27.115 1.889 12.358 1.00 26.12 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? -26.432 2.771 11.311 1.00 24.92 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? -26.223 3.968 11.535 1.00 24.98 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? -26.085 1.333 13.346 1.00 26.16 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? -25.012 0.680 12.685 1.00 25.70 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? -26.094 2.190 10.167 1.00 23.83 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? -25.568 2.982 9.063 1.00 23.20 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? -26.642 3.936 8.532 1.00 23.45 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? -26.366 5.119 8.309 1.00 22.11 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? -25.049 2.086 7.943 1.00 22.49 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? -24.596 2.872 6.737 1.00 21.66 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? -23.429 3.629 6.778 1.00 21.41 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? -25.339 2.873 5.568 1.00 21.60 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? -23.007 4.352 5.679 1.00 21.31 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? -24.928 3.598 4.464 1.00 21.37 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? -23.762 4.334 4.526 1.00 20.89 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? -23.351 5.051 3.436 1.00 20.37 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? -27.856 3.420 8.330 1.00 23.97 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? -28.986 4.243 7.889 1.00 24.43 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? -29.279 5.383 8.847 1.00 25.78 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? -29.606 6.497 8.432 1.00 25.12 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? -29.156 5.109 10.141 1.00 27.11 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? -29.334 6.144 11.158 1.00 28.65 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? -28.259 7.229 11.033 1.00 26.99 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? -28.560 8.415 11.142 1.00 25.72 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? -29.329 5.535 12.563 1.00 32.32 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? -30.577 4.721 12.882 1.00 35.42 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? -30.705 4.323 14.639 1.00 42.61 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? -29.599 2.921 14.756 1.00 41.06 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? -27.016 6.823 10.776 1.00 24.99 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? -25.927 7.782 10.543 1.00 23.82 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? -26.179 8.664 9.313 1.00 22.77 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? -25.973 9.871 9.366 1.00 21.90 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? -24.580 7.055 10.431 1.00 23.59 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? -23.514 7.829 9.699 1.00 23.72 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? -23.034 9.030 10.199 1.00 23.62 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? -22.973 7.337 8.518 1.00 24.04 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? -22.040 9.730 9.528 1.00 24.13 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? -21.982 8.033 7.845 1.00 24.15 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? -21.516 9.231 8.349 1.00 23.60 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? -26.634 8.065 8.220 1.00 23.30 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? -26.895 8.818 6.991 1.00 23.35 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? -28.086 9.769 7.183 1.00 24.47 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? -28.069 10.900 6.684 1.00 23.66 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? -27.093 7.866 5.791 1.00 22.96 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? -25.802 7.073 5.516 1.00 23.34 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? -27.521 8.624 4.544 1.00 22.71 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? -24.572 7.911 5.211 1.00 23.30 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? -29.105 9.320 7.913 1.00 25.83 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? -30.230 10.193 8.273 1.00 27.74 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? -29.723 11.392 9.079 1.00 26.73 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? -30.061 12.540 8.787 1.00 26.54 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? -31.292 9.423 9.078 1.00 29.85 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? -32.484 10.275 9.516 1.00 32.09 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? -33.252 9.658 10.678 1.00 34.34 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? -34.083 8.458 10.254 1.00 36.88 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? -34.645 7.729 11.431 1.00 38.61 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? -28.904 11.114 10.089 1.00 26.18 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? -28.309 12.163 10.928 1.00 26.33 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? -27.493 13.165 10.114 1.00 25.20 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? -27.541 14.372 10.359 1.00 23.51 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? -27.373 11.554 11.976 1.00 27.59 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? -28.108 10.835 13.093 1.00 29.01 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? -29.357 10.872 13.148 1.00 29.02 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? -27.410 10.227 13.929 1.00 30.11 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? -26.714 12.644 9.171 1.00 24.43 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? -25.885 13.475 8.301 1.00 24.18 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? -26.748 14.422 7.458 1.00 24.20 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -26.514 15.631 7.453 1.00 24.67 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? -25.009 12.583 7.420 1.00 23.89 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? -24.176 13.206 6.300 1.00 24.32 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -23.351 14.388 6.780 1.00 24.69 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? -23.282 12.127 5.709 1.00 24.34 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? -27.745 13.871 6.767 1.00 24.70 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? -28.714 14.678 6.003 1.00 24.97 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? -29.363 15.758 6.862 1.00 26.20 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -29.423 16.921 6.468 1.00 27.04 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? -29.815 13.792 5.428 1.00 24.21 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? -29.387 12.936 4.253 1.00 23.89 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? -30.449 11.908 3.914 1.00 23.33 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? -29.962 10.974 2.903 1.00 22.55 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? -30.275 9.680 2.840 1.00 22.43 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? -31.090 9.120 3.732 1.00 22.44 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? -29.759 8.932 1.870 1.00 22.29 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? -29.845 15.368 8.039 1.00 27.80 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? -30.575 16.292 8.915 1.00 29.47 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -29.685 17.364 9.529 1.00 29.55 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -30.178 18.387 10.003 1.00 29.48 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? -31.310 15.531 10.031 1.00 30.36 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? -32.492 14.704 9.525 1.00 31.52 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? -32.900 13.752 10.188 1.00 33.36 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? -33.056 15.063 8.372 1.00 32.45 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -28.376 17.132 9.527 1.00 29.15 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -27.428 18.134 9.995 1.00 28.99 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -27.150 19.221 8.953 1.00 29.33 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -26.580 20.254 9.290 1.00 29.41 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -26.129 17.471 10.419 1.00 29.22 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -27.538 18.997 7.700 1.00 29.25 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -27.333 19.995 6.659 1.00 29.40 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -28.522 20.954 6.668 1.00 30.51 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -29.669 20.522 6.533 1.00 30.08 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -27.167 19.325 5.295 1.00 29.11 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -26.034 18.289 5.237 1.00 29.36 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -26.115 17.471 3.961 1.00 29.03 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -24.665 18.947 5.361 1.00 29.40 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -28.255 22.258 6.846 1.00 31.59 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -29.359 23.194 6.972 1.00 32.21 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -29.945 23.560 5.619 1.00 32.96 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -29.238 23.565 4.610 1.00 32.24 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -28.699 24.410 7.615 1.00 31.82 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -27.321 24.406 7.047 1.00 31.76 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -26.957 22.959 6.820 1.00 31.39 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -31.240 23.843 5.612 1.00 34.68 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -31.924 24.319 4.423 1.00 36.53 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -33.062 25.229 4.843 1.00 37.23 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -33.545 25.156 5.979 1.00 33.45 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -32.442 23.158 3.566 1.00 37.55 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -33.548 22.370 4.198 1.00 39.01 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -33.316 21.310 5.049 1.00 39.97 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -34.895 22.471 4.079 1.00 39.07 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -34.472 20.797 5.435 1.00 40.66 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -35.445 21.484 4.862 1.00 40.23 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -33.463 26.091 3.918 1.00 39.04 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -34.501 27.081 4.168 1.00 41.20 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -35.783 26.710 3.405 1.00 41.72 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -36.889 27.014 3.861 1.00 40.96 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -33.971 28.498 3.818 1.00 42.50 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -34.144 29.373 4.939 1.00 44.06 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -34.638 29.095 2.582 1.00 43.68 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -35.627 26.047 2.258 1.00 40.23 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -36.761 25.570 1.471 1.00 40.88 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -36.500 24.187 0.893 1.00 39.90 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -35.369 23.684 0.912 1.00 38.73 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -37.092 26.547 0.331 1.00 42.21 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -35.878 27.226 -0.285 1.00 44.12 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -36.193 28.040 -1.526 1.00 45.75 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -35.543 29.091 -1.712 1.00 48.09 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -37.074 27.638 -2.314 1.00 47.31 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -37.573 23.582 0.394 1.00 38.01 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -37.485 22.388 -0.424 1.00 37.49 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -37.931 22.712 -1.835 1.00 37.15 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -38.795 23.566 -2.053 1.00 38.03 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? -38.354 21.280 0.145 1.00 37.69 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? -38.014 20.947 1.582 1.00 37.72 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? -38.744 19.704 2.037 1.00 38.62 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? -38.343 19.338 3.449 1.00 39.29 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? -39.084 18.135 3.917 1.00 39.95 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -37.323 22.023 -2.787 1.00 35.50 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -37.677 22.144 -4.180 1.00 34.87 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? -38.136 20.758 -4.596 1.00 34.41 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? -37.377 19.788 -4.499 1.00 33.40 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -36.474 22.626 -5.001 1.00 34.32 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -36.797 22.651 -6.484 1.00 34.50 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -36.041 24.000 -4.516 1.00 34.24 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? -39.396 20.674 -5.015 1.00 33.43 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? -40.052 19.403 -5.286 1.00 33.36 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? -39.867 18.438 -4.118 1.00 33.20 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? -39.603 17.252 -4.303 1.00 34.53 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? -39.561 18.832 -6.618 1.00 33.32 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? -40.027 19.681 -7.774 1.00 33.65 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? -41.356 19.643 -8.185 1.00 33.92 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? -39.162 20.549 -8.430 1.00 33.83 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? -41.808 20.428 -9.229 1.00 33.95 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? -39.607 21.339 -9.480 1.00 34.63 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? -40.934 21.272 -9.871 1.00 34.29 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? -41.394 22.046 -10.907 1.00 36.24 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? -40.001 18.981 -2.910 1.00 32.87 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? -39.962 18.203 -1.676 1.00 33.12 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? -38.565 17.694 -1.269 1.00 32.13 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? -38.442 16.856 -0.373 1.00 31.46 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? -40.949 17.034 -1.777 1.00 34.79 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? -41.406 16.535 -0.426 1.00 36.20 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? -41.602 17.315 0.509 1.00 38.07 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? -41.586 15.225 -0.313 1.00 38.49 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? -37.522 18.218 -1.911 1.00 30.55 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? -36.138 17.861 -1.595 1.00 28.95 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? -35.449 19.078 -0.975 1.00 28.20 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? -35.493 20.163 -1.546 1.00 28.10 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? -35.359 17.440 -2.858 1.00 28.88 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? -36.117 16.353 -3.621 1.00 28.48 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? -33.964 16.937 -2.495 1.00 28.81 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? -35.963 16.461 -5.119 1.00 28.24 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? -34.803 18.901 0.191 1.00 27.25 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -34.067 19.995 0.816 1.00 26.87 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -33.082 20.671 -0.143 1.00 26.54 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -32.314 19.992 -0.824 1.00 24.19 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -33.322 19.298 1.956 1.00 27.42 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? -34.200 18.155 2.319 1.00 27.14 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? -34.759 17.678 1.013 1.00 27.32 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -33.143 21.999 -0.203 1.00 26.76 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -32.247 22.795 -1.031 1.00 28.03 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -31.142 23.351 -0.142 1.00 28.03 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -31.400 24.159 0.752 1.00 27.84 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -33.014 23.940 -1.713 1.00 28.71 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -32.189 24.976 -2.481 1.00 29.12 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -31.531 24.337 -3.691 1.00 29.34 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -33.053 26.161 -2.900 1.00 29.77 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -29.910 22.911 -0.379 1.00 28.19 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -28.777 23.387 0.408 1.00 28.54 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -28.600 24.885 0.210 1.00 29.74 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -28.920 25.424 -0.849 1.00 29.78 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -27.487 22.648 0.034 1.00 28.03 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -27.488 21.142 0.318 1.00 27.85 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -26.262 20.477 -0.293 1.00 28.03 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -27.563 20.862 1.811 1.00 27.86 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -28.085 25.548 1.239 1.00 31.70 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -27.994 27.002 1.241 1.00 33.22 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -26.956 27.500 0.238 1.00 33.73 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -25.981 26.800 -0.040 1.00 32.10 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -27.632 27.512 2.637 1.00 33.84 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -28.592 27.166 3.775 1.00 34.98 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -27.963 27.538 5.108 1.00 35.09 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -29.937 27.860 3.602 1.00 35.59 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -27.162 28.716 -0.307 1.00 35.15 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -26.182 29.342 -1.200 1.00 35.80 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -24.831 29.528 -0.522 1.00 36.76 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -23.792 29.260 -1.118 1.00 35.30 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -26.798 30.712 -1.508 1.00 36.10 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -28.241 30.582 -1.194 1.00 35.89 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -28.341 29.575 -0.094 1.00 35.80 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -24.854 29.996 0.720 1.00 39.67 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -23.631 30.167 1.483 1.00 41.76 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -23.917 30.226 2.973 1.00 42.87 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -25.045 30.480 3.397 1.00 43.87 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -22.883 31.430 1.036 1.00 42.77 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -23.569 32.605 1.427 1.00 44.79 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -22.878 29.949 3.753 1.00 43.36 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -22.906 30.076 5.203 1.00 43.78 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -21.565 30.686 5.585 1.00 45.93 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -20.532 30.319 5.017 1.00 46.07 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -23.074 28.714 5.908 1.00 43.18 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -23.146 28.896 7.418 1.00 42.70 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -24.314 27.983 5.406 1.00 42.72 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -21.572 31.613 6.538 1.00 47.43 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -20.352 32.330 6.902 1.00 47.42 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -19.788 31.839 8.223 1.00 46.68 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -20.530 31.502 9.147 1.00 45.61 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -20.604 33.836 6.961 1.00 48.31 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -20.713 34.372 5.654 1.00 50.20 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.461 31.802 8.292 1.00 45.82 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -17.759 31.397 9.498 1.00 45.03 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -17.735 29.894 9.687 1.00 43.74 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -17.823 29.131 8.726 1.00 43.44 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -17.628 29.478 10.943 1.00 42.79 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -17.465 28.072 11.293 1.00 42.50 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -18.733 27.249 11.072 1.00 41.39 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -18.656 26.030 10.906 1.00 40.03 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -17.010 27.949 12.738 1.00 43.09 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -19.891 27.913 11.062 1.00 40.03 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -21.172 27.247 10.814 1.00 38.91 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -21.300 26.630 9.430 1.00 37.22 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -22.249 25.895 9.163 1.00 37.47 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -20.354 26.934 8.545 1.00 35.45 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -20.301 26.303 7.231 1.00 35.18 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -19.904 24.828 7.299 1.00 32.73 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -20.203 24.070 6.381 1.00 31.69 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -19.314 27.041 6.329 1.00 36.81 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -19.142 26.414 4.954 1.00 38.07 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -18.180 27.219 4.110 1.00 40.25 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -18.868 28.340 3.481 1.00 42.39 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -19.276 28.377 2.213 1.00 44.08 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -19.904 29.460 1.762 1.00 43.99 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -19.062 27.354 1.387 1.00 44.72 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -19.236 24.421 8.376 1.00 31.32 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -18.620 23.098 8.428 1.00 30.36 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -19.247 22.180 9.465 1.00 30.03 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -19.319 22.513 10.649 1.00 30.74 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -17.121 23.239 8.675 1.00 29.85 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -16.501 24.210 7.710 1.00 28.98 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -16.367 23.886 6.365 1.00 28.33 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -16.097 25.476 8.130 1.00 28.69 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -15.819 24.784 5.469 1.00 28.23 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.550 26.381 7.240 1.00 28.04 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.414 26.032 5.915 1.00 28.23 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -14.864 26.936 5.039 1.00 28.79 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -19.709 21.027 8.991 1.00 28.55 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -20.200 19.957 9.842 1.00 28.79 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -19.031 19.046 10.197 1.00 27.70 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -18.189 18.748 9.347 1.00 26.20 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -21.280 19.158 9.104 1.00 29.67 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -21.759 17.831 9.694 1.00 30.80 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -22.364 18.023 11.074 1.00 31.50 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -22.770 17.197 8.751 1.00 31.57 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -18.983 18.609 11.451 1.00 26.77 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -17.993 17.630 11.888 1.00 26.94 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -18.628 16.250 11.984 1.00 26.83 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -19.644 16.078 12.665 1.00 25.71 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -17.422 18.023 13.243 1.00 27.25 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -16.849 19.437 13.329 1.00 27.70 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -16.292 19.664 14.723 1.00 28.01 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -15.784 19.681 12.265 1.00 28.02 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -18.040 15.282 11.280 1.00 26.47 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -18.462 13.891 11.359 1.00 26.64 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -17.432 13.120 12.156 1.00 26.77 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -16.270 13.043 11.754 1.00 25.50 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -18.516 13.234 9.985 1.00 27.26 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -19.437 13.843 8.961 1.00 28.18 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -19.622 12.581 7.688 1.00 28.48 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -18.028 12.626 6.865 1.00 28.18 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -17.860 12.523 13.260 1.00 26.88 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -16.988 11.674 14.063 1.00 27.20 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -17.149 10.227 13.642 1.00 26.30 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? -18.222 9.646 13.819 1.00 26.06 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -17.327 11.821 15.541 1.00 28.49 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -17.316 13.239 16.010 1.00 30.15 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -16.158 13.980 16.096 1.00 30.61 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -18.321 14.062 16.390 1.00 31.10 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -16.447 15.196 16.522 1.00 31.23 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -17.753 15.272 16.708 1.00 31.84 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -16.084 9.652 13.086 1.00 24.78 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? -16.110 8.273 12.608 1.00 24.11 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? -15.149 7.414 13.410 1.00 24.91 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? -13.984 7.780 13.595 1.00 24.57 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? -15.741 8.213 11.128 1.00 23.74 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? -16.562 9.103 10.195 1.00 23.15 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? -15.979 9.052 8.792 1.00 22.78 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? -18.033 8.705 10.187 1.00 23.12 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? -15.639 6.266 13.868 1.00 25.09 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? -14.860 5.354 14.694 1.00 25.79 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? -14.686 4.034 13.977 1.00 26.05 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? -15.666 3.424 13.538 1.00 25.37 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? -15.566 5.076 16.017 1.00 26.33 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? -15.777 6.291 16.862 1.00 26.51 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? -16.792 7.184 16.567 1.00 26.83 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? -14.979 6.529 17.972 1.00 27.56 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? -17.000 8.303 17.347 1.00 27.11 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? -15.178 7.650 18.760 1.00 27.40 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? -16.195 8.536 18.449 1.00 27.75 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? -13.441 3.584 13.867 1.00 25.96 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? -13.179 2.290 13.263 1.00 26.52 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? -13.553 1.179 14.235 1.00 27.40 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? -13.887 1.442 15.395 1.00 26.62 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? -11.731 2.185 12.757 1.00 25.91 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? -10.701 1.975 13.859 1.00 25.99 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? -11.010 1.892 15.050 1.00 25.23 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? -9.441 1.891 13.445 1.00 25.73 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? -13.511 -0.054 13.754 1.00 29.36 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? -13.947 -1.201 14.538 1.00 32.51 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? -13.285 -1.255 15.923 1.00 31.64 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? -13.928 -1.615 16.909 1.00 32.00 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? -13.676 -2.484 13.759 1.00 34.68 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? -14.057 -3.732 14.504 1.00 37.99 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? -15.371 -4.200 14.501 1.00 39.38 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? -13.100 -4.453 15.208 1.00 39.50 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? -15.717 -5.355 15.186 1.00 40.64 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? -13.435 -5.603 15.894 1.00 40.91 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? -14.739 -6.051 15.877 1.00 40.81 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? -15.045 -7.194 16.563 1.00 42.66 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? -12.009 -0.877 15.989 1.00 30.45 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? -11.262 -0.860 17.250 1.00 31.07 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? -11.483 0.386 18.095 1.00 30.04 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? -10.900 0.508 19.169 1.00 29.45 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? -9.760 -1.003 16.989 1.00 32.44 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? -9.388 -2.362 16.448 1.00 34.31 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? -10.145 -3.328 16.668 1.00 34.96 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? -8.328 -2.465 15.801 1.00 37.22 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? -12.300 1.319 17.617 1.00 29.01 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? -12.657 2.490 18.411 1.00 28.74 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? -11.730 3.685 18.260 1.00 28.21 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? -11.881 4.672 18.972 1.00 28.01 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? -10.762 3.609 17.352 1.00 28.77 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? -9.993 4.797 16.985 1.00 30.08 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? -10.864 5.686 16.114 1.00 29.43 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? -11.758 5.194 15.428 1.00 29.51 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? -8.717 4.426 16.236 1.00 31.78 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? -7.722 3.679 17.107 1.00 33.41 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? -7.601 3.942 18.302 1.00 35.09 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? -6.994 2.751 16.505 1.00 35.28 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -10.596 6.986 16.136 1.00 28.91 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -11.501 7.957 15.533 1.00 28.69 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -10.800 9.037 14.717 1.00 27.18 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -9.687 9.464 15.043 1.00 26.83 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -12.373 8.641 16.610 1.00 29.41 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -13.290 9.550 15.988 1.00 30.18 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -11.515 9.389 17.640 1.00 29.90 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -11.467 9.454 13.645 1.00 25.48 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -11.146 10.693 12.956 1.00 23.95 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -12.389 11.574 12.975 1.00 23.26 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -13.511 11.080 13.120 1.00 23.06 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -10.664 10.457 11.504 1.00 24.04 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -11.766 9.833 10.628 1.00 23.70 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -9.418 9.587 11.514 1.00 23.99 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -11.426 9.780 9.150 1.00 23.88 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -12.174 12.879 12.858 1.00 22.26 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -13.254 13.830 12.685 1.00 22.12 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -13.096 14.428 11.299 1.00 21.32 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -12.027 14.938 10.954 1.00 20.91 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -13.212 14.921 13.770 1.00 22.75 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -13.280 14.297 15.059 1.00 23.13 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -14.378 15.902 13.620 1.00 23.07 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -14.153 14.341 10.501 1.00 20.52 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -14.123 14.795 9.123 1.00 20.46 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -14.936 16.080 9.036 1.00 20.81 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -16.040 16.152 9.575 1.00 20.50 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -14.710 13.716 8.191 1.00 19.78 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -14.697 14.174 6.741 1.00 19.48 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -13.936 12.410 8.335 1.00 19.63 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -14.381 17.086 8.364 1.00 20.61 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -15.039 18.386 8.215 1.00 21.13 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -15.740 18.431 6.875 1.00 21.16 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -15.110 18.208 5.842 1.00 20.69 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -14.027 19.515 8.307 1.00 21.26 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -17.040 18.717 6.901 1.00 21.08 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -17.873 18.707 5.710 1.00 21.51 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -18.495 20.088 5.506 1.00 22.21 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -19.105 20.632 6.422 1.00 21.98 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -18.995 17.654 5.848 1.00 21.12 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -19.915 17.662 4.634 1.00 21.13 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -18.404 16.268 6.054 1.00 20.90 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -18.347 20.639 4.304 1.00 22.91 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -18.996 21.902 3.946 1.00 23.99 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -20.500 21.651 3.755 1.00 23.99 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -20.908 20.859 2.903 1.00 23.26 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -18.347 22.494 2.686 1.00 24.77 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -18.972 23.826 2.253 1.00 25.78 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -20.187 24.041 2.458 1.00 25.29 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -18.242 24.659 1.679 1.00 27.44 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -21.317 22.334 4.555 1.00 25.33 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -22.760 22.053 4.603 1.00 25.82 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -23.551 22.597 3.410 1.00 26.05 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -24.727 22.263 3.256 1.00 26.56 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -23.417 22.537 5.918 1.00 26.42 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -22.687 21.960 7.125 1.00 26.21 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -23.495 24.059 5.986 1.00 27.08 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -22.915 23.417 2.575 1.00 25.94 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -23.558 23.951 1.375 1.00 26.73 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -23.464 22.990 0.194 1.00 26.16 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -24.307 23.034 -0.692 1.00 24.87 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -22.958 25.308 0.941 1.00 27.58 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -21.609 25.129 0.492 1.00 27.78 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -22.993 26.303 2.087 1.00 27.88 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -22.441 22.129 0.183 1.00 25.45 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -22.229 21.194 -0.932 1.00 24.47 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -21.917 19.734 -0.545 1.00 23.52 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -21.784 18.895 -1.421 1.00 22.31 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -21.125 21.735 -1.847 1.00 25.12 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -19.844 22.052 -1.094 1.00 25.25 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -19.543 21.441 -0.068 1.00 24.78 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -19.079 23.009 -1.606 1.00 26.13 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -21.832 19.454 0.758 1.00 23.32 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -21.470 18.137 1.322 1.00 23.59 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -20.047 17.668 0.940 1.00 24.24 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -19.743 16.477 1.039 1.00 24.04 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -22.509 17.016 0.996 1.00 23.22 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -22.606 16.031 2.156 1.00 23.16 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -23.898 17.582 0.703 1.00 22.84 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -19.180 18.600 0.530 1.00 25.55 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -17.795 18.267 0.183 1.00 26.79 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -16.945 18.124 1.442 1.00 25.78 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -16.982 18.964 2.340 1.00 24.03 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -17.141 19.326 -0.722 1.00 29.43 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -17.753 19.526 -2.096 1.00 32.33 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -17.523 20.703 -2.804 1.00 35.03 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -18.563 18.558 -2.686 1.00 34.17 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -18.079 20.910 -4.057 1.00 36.37 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -19.123 18.754 -3.937 1.00 35.74 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -18.879 19.933 -4.618 1.00 37.32 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -19.425 20.146 -5.863 1.00 40.37 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -16.174 17.049 1.498 1.00 25.22 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -15.202 16.845 2.551 1.00 25.63 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -14.052 17.826 2.336 1.00 25.34 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -13.464 17.881 1.252 1.00 25.10 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -14.708 15.384 2.574 1.00 26.49 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -15.875 14.468 2.968 1.00 27.21 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -13.535 15.232 3.533 1.00 26.40 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -15.538 12.997 3.037 1.00 27.85 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -13.756 18.612 3.366 1.00 25.11 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -12.701 19.628 3.294 1.00 25.68 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.371 19.095 3.832 1.00 24.42 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -10.299 19.432 3.332 1.00 22.97 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -13.113 20.876 4.082 1.00 27.38 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -14.205 21.726 3.429 1.00 28.61 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -13.795 22.338 1.779 1.00 31.63 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -14.524 21.073 0.745 1.00 30.97 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -11.458 18.259 4.854 1.00 23.54 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.283 17.785 5.563 1.00 22.84 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -10.734 16.952 6.735 1.00 22.40 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -11.922 16.646 6.867 1.00 22.56 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.792 16.587 7.592 1.00 21.92 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -10.102 15.743 8.732 1.00 21.86 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -9.024 15.861 9.788 1.00 22.05 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -7.924 16.338 9.520 1.00 22.15 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -10.258 14.278 8.304 1.00 21.34 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -9.054 13.746 7.564 1.00 21.38 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -8.910 13.953 6.199 1.00 21.52 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -8.047 13.055 8.234 1.00 21.38 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.805 13.475 5.511 1.00 21.32 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -6.934 12.582 7.559 1.00 21.42 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -6.820 12.790 6.198 1.00 21.63 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -5.717 12.322 5.523 1.00 21.73 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -9.361 15.412 10.988 1.00 23.01 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -8.450 15.420 12.115 1.00 24.12 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.202 13.984 12.558 1.00 24.29 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -9.145 13.224 12.784 1.00 22.70 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -9.062 16.212 13.266 1.00 24.97 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -8.267 16.251 14.574 1.00 25.66 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -7.019 17.107 14.413 1.00 26.06 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -9.135 16.790 15.695 1.00 26.34 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -6.930 13.629 12.685 1.00 24.64 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -6.537 12.321 13.189 1.00 26.50 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -5.563 12.529 14.343 1.00 28.32 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -4.419 12.935 14.136 1.00 26.89 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -5.913 11.491 12.084 1.00 26.05 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -6.049 12.264 15.555 1.00 31.04 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -5.348 12.583 16.801 1.00 31.95 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -5.001 14.079 16.903 1.00 31.44 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -5.885 14.896 17.167 1.00 32.36 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -4.130 11.663 16.997 1.00 33.92 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -3.283 11.832 18.269 1.00 35.73 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -4.123 12.044 19.527 1.00 35.96 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -2.366 10.633 18.438 1.00 37.02 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -3.741 14.453 16.683 1.00 30.31 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -3.321 15.846 16.859 1.00 29.15 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -2.839 16.461 15.546 1.00 27.45 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -2.222 17.529 15.543 1.00 27.18 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -2.198 15.977 17.909 1.00 29.75 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -1.025 15.282 17.461 1.00 29.68 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -2.647 15.430 19.260 1.00 30.32 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -3.121 15.785 14.436 1.00 25.45 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -2.744 16.275 13.129 1.00 23.73 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -3.984 16.467 12.275 1.00 22.80 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -4.781 15.537 12.115 1.00 22.42 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -1.801 15.297 12.411 1.00 23.70 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -0.605 15.122 13.178 1.00 23.53 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -1.419 15.829 11.044 1.00 23.78 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -4.140 17.673 11.733 1.00 21.88 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -5.189 17.947 10.755 1.00 21.58 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -4.640 17.789 9.343 1.00 21.71 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -3.445 18.004 9.094 1.00 21.18 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -5.769 19.349 10.945 1.00 21.54 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -4.793 20.349 10.728 1.00 20.88 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -5.527 17.404 8.429 1.00 21.41 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -5.196 17.209 7.025 1.00 21.03 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -6.272 17.883 6.185 1.00 21.23 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -7.451 17.648 6.405 1.00 20.07 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -5.182 15.716 6.693 1.00 21.08 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -4.238 14.902 7.539 1.00 21.42 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -4.618 14.444 8.798 1.00 21.62 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -2.961 14.600 7.089 1.00 21.98 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -3.754 13.699 9.577 1.00 21.86 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -2.089 13.853 7.861 1.00 22.51 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -2.492 13.405 9.103 1.00 22.30 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -1.625 12.668 9.872 1.00 23.07 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -5.868 18.718 5.235 1.00 21.39 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -6.812 19.411 4.366 1.00 22.04 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -6.408 19.215 2.927 1.00 22.60 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -5.217 19.096 2.618 1.00 22.09 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -6.843 20.911 4.678 1.00 22.54 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -7.399 21.235 6.030 1.00 22.32 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -8.761 21.432 6.207 1.00 22.79 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -6.562 21.346 7.126 1.00 22.36 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -9.275 21.729 7.461 1.00 22.66 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -7.065 21.644 8.379 1.00 22.51 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -8.426 21.832 8.549 1.00 22.79 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -7.399 19.184 2.043 1.00 23.27 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -7.122 19.133 0.617 1.00 23.85 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -6.383 20.389 0.178 1.00 24.72 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -6.519 21.455 0.777 1.00 24.64 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -8.406 18.975 -0.200 1.00 23.56 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -8.999 17.596 -0.130 1.00 23.56 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -8.260 16.491 -0.535 1.00 23.28 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.293 17.401 0.335 1.00 23.55 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.797 15.221 -0.471 1.00 23.34 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -10.838 16.130 0.394 1.00 23.41 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -10.089 15.039 -0.011 1.00 23.58 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -5.591 20.242 -0.873 1.00 25.85 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -4.858 21.358 -1.437 1.00 26.88 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -5.786 22.088 -2.405 1.00 27.54 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -5.707 21.899 -3.608 1.00 27.32 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -3.599 20.840 -2.141 1.00 26.76 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -2.673 21.949 -2.614 1.00 27.31 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -1.937 21.771 -3.581 1.00 28.75 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -2.691 23.085 -1.935 1.00 27.20 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -6.694 22.885 -1.848 1.00 29.47 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -7.656 23.674 -2.627 1.00 30.62 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -8.132 24.856 -1.764 1.00 29.79 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -8.138 24.758 -0.537 1.00 28.76 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -8.835 22.806 -3.095 1.00 31.97 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -9.764 22.339 -1.979 1.00 33.92 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -10.717 21.220 -2.388 1.00 35.63 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -10.529 20.603 -3.454 1.00 35.59 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -11.668 20.949 -1.621 1.00 39.43 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -8.507 25.985 -2.397 1.00 30.02 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -8.848 27.181 -1.608 1.00 29.82 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -9.992 27.007 -0.612 1.00 29.15 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -9.920 27.534 0.495 1.00 30.36 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -9.227 28.210 -2.677 1.00 30.10 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -8.459 27.798 -3.880 1.00 30.28 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -8.414 26.293 -3.837 1.00 30.05 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -11.032 26.281 -1.004 1.00 29.43 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -12.152 25.999 -0.109 1.00 28.91 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -11.688 25.253 1.143 1.00 28.50 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -12.173 25.512 2.242 1.00 28.09 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -13.219 25.201 -0.839 1.00 29.15 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -10.734 24.339 0.976 1.00 27.98 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -10.197 23.587 2.107 1.00 28.02 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -9.282 24.448 2.971 1.00 28.21 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -9.355 24.378 4.196 1.00 27.28 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -9.465 22.342 1.629 1.00 27.83 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -8.420 25.255 2.350 1.00 29.62 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -7.574 26.169 3.122 1.00 31.29 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -8.446 27.131 3.914 1.00 30.70 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -8.145 27.421 5.068 1.00 30.58 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -6.595 26.963 2.247 1.00 33.58 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -5.818 28.013 3.050 1.00 35.78 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -5.148 27.652 4.038 1.00 37.38 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -5.896 29.209 2.709 1.00 38.83 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -9.523 27.615 3.296 1.00 31.05 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -10.495 28.462 3.995 1.00 31.27 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -11.064 27.723 5.199 1.00 29.41 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -11.072 28.259 6.302 1.00 28.82 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -11.632 28.909 3.059 1.00 33.13 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -12.797 29.684 3.703 1.00 35.01 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -12.321 30.991 4.319 1.00 36.16 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -13.904 29.952 2.693 1.00 35.72 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -11.523 26.488 4.990 1.00 27.78 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -12.041 25.672 6.093 1.00 26.71 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -11.015 25.526 7.218 1.00 26.57 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -11.379 25.502 8.394 1.00 25.18 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -12.477 24.303 5.594 1.00 26.60 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -9.732 25.461 6.858 1.00 26.96 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -8.664 25.304 7.850 1.00 27.90 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -8.568 26.497 8.804 1.00 29.83 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -7.938 26.410 9.859 1.00 27.87 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -7.307 25.061 7.171 1.00 27.97 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -6.694 26.265 6.728 1.00 28.22 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -9.208 27.600 8.430 1.00 32.40 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -9.272 28.780 9.276 1.00 34.33 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -10.262 28.587 10.424 1.00 34.32 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -10.160 29.271 11.442 1.00 34.25 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -9.631 30.011 8.429 1.00 36.81 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -8.636 30.240 7.295 1.00 39.04 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -8.885 31.502 6.488 1.00 41.87 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -9.285 32.535 7.027 1.00 44.68 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -8.623 31.430 5.185 1.00 43.44 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -11.188 27.635 10.274 1.00 33.83 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -12.281 27.455 11.228 1.00 33.76 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -12.294 26.144 12.010 1.00 33.02 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -12.753 26.126 13.152 1.00 32.23 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -13.612 27.625 10.499 1.00 34.66 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -13.751 29.003 9.919 1.00 35.73 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -14.143 30.075 10.716 1.00 36.86 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -13.455 29.246 8.587 1.00 36.54 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -14.254 31.349 10.193 1.00 37.14 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -13.564 30.516 8.052 1.00 37.94 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -13.964 31.563 8.858 1.00 38.08 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -14.070 32.820 8.315 1.00 39.83 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -11.822 25.052 11.411 1.00 31.10 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -11.900 23.745 12.069 1.00 30.66 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -10.524 23.177 12.385 1.00 30.28 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -9.545 23.452 11.687 1.00 29.85 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -12.714 22.706 11.257 1.00 30.68 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -14.168 23.142 11.138 1.00 31.43 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -12.107 22.457 9.881 1.00 30.40 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -10.471 22.390 13.455 1.00 29.94 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -9.263 21.678 13.872 1.00 30.74 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -8.105 22.621 14.192 1.00 32.83 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -6.937 22.239 14.090 1.00 31.88 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -8.836 20.655 12.805 1.00 29.79 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -9.970 19.824 12.262 1.00 28.78 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -10.963 19.324 13.105 1.00 28.26 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -10.032 19.519 10.906 1.00 28.14 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -12.001 18.558 12.599 1.00 27.53 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -11.068 18.753 10.398 1.00 27.68 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -12.054 18.274 11.245 1.00 27.88 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -8.436 23.844 14.604 1.00 35.56 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -7.433 24.856 14.926 1.00 38.57 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -6.505 24.411 16.064 1.00 38.12 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -5.337 24.792 16.099 1.00 37.10 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -8.118 26.179 15.286 1.00 41.01 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -8.818 26.855 14.108 1.00 42.50 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -7.819 27.548 13.199 1.00 44.56 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -7.001 28.483 13.965 1.00 46.42 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -7.347 29.729 14.286 1.00 48.22 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -6.513 30.469 15.006 1.00 48.89 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -8.509 30.249 13.894 1.00 49.36 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -7.018 23.587 16.975 1.00 39.30 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -6.216 23.103 18.100 1.00 39.36 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -5.262 21.946 17.752 1.00 37.98 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -4.516 21.499 18.615 1.00 38.03 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -7.122 22.718 19.276 1.00 40.88 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -8.058 21.721 18.908 1.00 43.72 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -5.269 21.470 16.505 1.00 37.29 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -4.313 20.443 16.069 1.00 36.14 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -2.870 20.925 16.236 1.00 36.37 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -2.563 22.088 15.979 1.00 34.93 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -4.565 20.054 14.620 1.00 35.76 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -1.988 20.029 16.668 1.00 37.21 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -0.584 20.383 16.895 1.00 38.15 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 0.151 20.704 15.593 1.00 34.93 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 1.031 21.558 15.576 1.00 34.39 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 0.142 19.277 17.660 1.00 41.47 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? -0.308 19.143 19.105 1.00 45.16 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 0.497 18.097 19.863 1.00 48.55 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 1.844 18.572 20.195 1.00 52.16 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 2.980 18.184 19.608 1.00 55.68 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 2.986 17.282 18.629 1.00 57.07 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 4.135 18.704 20.014 1.00 57.47 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -0.204 20.023 14.508 1.00 32.40 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 0.301 20.388 13.185 1.00 30.62 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -0.761 20.192 12.123 1.00 28.08 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -1.706 19.424 12.301 1.00 27.71 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 1.547 19.581 12.817 1.00 32.27 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 1.329 18.084 12.863 1.00 32.74 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 2.363 17.288 12.081 1.00 33.94 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 1.944 15.886 12.058 1.00 35.21 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 2.629 14.869 11.535 1.00 36.21 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 3.820 15.048 10.968 1.00 36.20 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 2.109 13.646 11.597 1.00 36.43 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -0.584 20.896 11.017 1.00 25.76 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -1.512 20.835 9.912 1.00 25.55 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -0.777 20.397 8.676 1.00 24.79 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 0.208 21.022 8.287 1.00 24.79 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -2.125 22.200 9.639 1.00 26.00 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -2.992 22.187 8.397 1.00 26.14 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -3.801 23.452 8.257 1.00 27.39 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -3.031 24.529 7.522 1.00 27.71 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -3.914 25.714 7.373 1.00 28.74 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -1.276 19.342 8.046 1.00 23.59 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -0.715 18.860 6.802 1.00 22.62 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -1.681 19.148 5.663 1.00 22.92 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -2.866 18.815 5.724 1.00 23.60 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -0.391 17.353 6.883 1.00 22.43 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 0.869 17.148 7.731 1.00 22.63 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -0.193 16.769 5.485 1.00 22.41 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 1.140 15.710 8.130 1.00 23.10 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -1.172 19.786 4.624 1.00 22.00 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -1.942 19.962 3.411 1.00 22.65 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -1.645 18.775 2.516 1.00 22.87 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -0.493 18.549 2.147 1.00 22.56 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -1.573 21.265 2.682 1.00 22.63 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -1.713 22.370 3.582 1.00 22.58 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -2.470 21.478 1.490 1.00 22.95 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -2.684 18.023 2.168 1.00 22.72 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -2.523 16.840 1.331 1.00 24.09 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -2.029 17.265 -0.041 1.00 25.10 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -2.323 18.374 -0.491 1.00 26.28 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -3.838 16.066 1.205 1.00 23.98 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -4.420 15.522 2.512 1.00 24.41 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -5.883 15.139 2.341 1.00 24.40 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -3.608 14.339 3.021 1.00 24.68 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -1.274 16.390 -0.719 1.00 24.67 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -0.703 16.794 -2.002 1.00 25.33 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -1.658 16.584 -3.191 1.00 25.93 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -1.225 16.206 -4.281 1.00 25.73 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 0.542 15.909 -2.107 1.00 25.00 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 0.157 14.659 -1.391 1.00 24.82 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -0.777 15.070 -0.284 1.00 24.87 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -2.951 16.818 -2.964 1.00 25.34 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -3.955 16.821 -4.017 1.00 24.69 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -5.175 17.602 -3.528 1.00 24.95 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -5.357 17.800 -2.328 1.00 24.84 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -4.365 15.385 -4.407 1.00 23.90 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -4.320 14.397 -3.255 1.00 23.16 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -5.321 14.369 -2.286 1.00 22.33 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -3.262 13.498 -3.130 1.00 22.65 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -5.265 13.473 -1.226 1.00 22.33 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -3.203 12.596 -2.079 1.00 22.16 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -4.200 12.585 -1.131 1.00 21.75 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -4.116 11.691 -0.088 1.00 21.10 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -5.989 18.058 -4.472 1.00 25.83 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -7.317 18.590 -4.166 1.00 26.86 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -8.294 17.430 -3.964 1.00 26.76 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -7.938 16.267 -4.166 1.00 26.91 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -7.805 19.478 -5.304 1.00 27.89 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -8.055 18.707 -6.465 1.00 28.61 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -9.528 17.755 -3.586 1.00 26.79 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -10.503 16.750 -3.173 1.00 26.91 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -11.420 16.228 -4.259 1.00 27.70 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -12.307 15.426 -3.985 1.00 27.19 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -11.221 16.657 -5.499 1.00 28.96 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -12.096 16.187 -6.566 1.00 30.44 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -11.723 14.775 -7.006 1.00 29.76 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -10.569 14.340 -6.873 1.00 28.84 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -12.126 17.155 -7.746 1.00 32.53 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -10.816 17.215 -8.491 1.00 33.81 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.558 16.411 -9.389 1.00 35.44 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -9.987 18.186 -8.140 1.00 35.83 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -12.718 14.056 -7.509 1.00 28.39 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -12.549 12.647 -7.824 1.00 27.76 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -11.395 12.392 -8.798 1.00 28.88 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -10.653 11.431 -8.638 1.00 28.02 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -13.841 12.068 -8.390 1.00 26.72 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -14.900 11.684 -7.364 1.00 26.29 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -14.567 11.028 -6.180 1.00 25.85 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -16.251 11.923 -7.617 1.00 26.15 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -15.545 10.653 -5.265 1.00 25.77 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -17.232 11.552 -6.707 1.00 25.69 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -16.875 10.916 -5.536 1.00 24.90 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -17.848 10.545 -4.640 1.00 24.25 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -11.232 13.254 -9.794 1.00 31.21 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -10.200 13.031 -10.808 1.00 33.76 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -8.786 13.071 -10.217 1.00 32.75 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -7.966 12.204 -10.522 1.00 31.75 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -10.333 14.028 -11.961 1.00 36.53 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -11.641 13.911 -12.738 1.00 39.63 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -11.679 12.734 -13.706 1.00 42.74 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -11.526 11.574 -13.267 1.00 45.38 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -11.887 12.968 -14.917 1.00 44.97 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -8.515 14.056 -9.362 1.00 32.08 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -7.209 14.165 -8.705 1.00 32.41 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -6.962 13.060 -7.690 1.00 29.52 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -5.838 12.582 -7.567 1.00 27.68 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -7.052 15.519 -8.005 1.00 35.21 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -6.959 16.696 -8.953 1.00 38.82 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -5.645 16.693 -9.714 1.00 42.83 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -5.675 17.652 -10.811 1.00 47.63 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -4.765 17.728 -11.781 1.00 50.55 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -4.902 18.645 -12.732 1.00 51.46 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -3.724 16.897 -11.813 1.00 50.95 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -8.001 12.686 -6.943 1.00 27.18 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -7.886 11.622 -5.944 1.00 25.73 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -7.568 10.280 -6.593 1.00 24.96 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -6.759 9.510 -6.082 1.00 25.53 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -9.176 11.507 -5.123 1.00 24.83 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -9.374 12.545 -4.021 1.00 24.27 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -10.785 12.445 -3.455 1.00 24.17 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -8.354 12.357 -2.911 1.00 24.62 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -8.222 10.011 -7.719 1.00 25.20 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -8.017 8.774 -8.477 1.00 24.98 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -6.597 8.690 -9.052 1.00 25.15 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -5.980 7.623 -9.043 1.00 24.23 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -9.062 8.670 -9.590 1.00 25.32 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -10.464 8.340 -9.075 1.00 25.39 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -11.562 8.345 -10.137 1.00 25.87 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -12.686 7.912 -9.870 1.00 26.16 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -11.256 8.829 -11.334 1.00 26.38 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -6.084 9.823 -9.529 1.00 26.38 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -4.682 9.925 -9.954 1.00 27.65 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -3.733 9.601 -8.802 1.00 27.55 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -2.838 8.773 -8.957 1.00 27.16 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -4.355 11.325 -10.531 1.00 28.72 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -5.036 11.493 -11.891 1.00 30.00 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -2.847 11.521 -10.683 1.00 28.89 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -5.053 12.914 -12.422 1.00 30.79 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -3.932 10.253 -7.655 1.00 27.71 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -3.091 10.016 -6.478 1.00 27.99 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -3.182 8.564 -6.022 1.00 28.32 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -2.173 7.953 -5.671 1.00 28.80 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -3.476 10.957 -5.342 1.00 27.89 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.391 8.011 -6.051 1.00 28.08 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -4.638 6.652 -5.571 1.00 28.02 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -4.124 5.589 -6.538 1.00 29.48 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -3.891 4.441 -6.149 1.00 29.10 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -6.119 6.454 -5.309 1.00 27.61 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -3.952 5.974 -7.799 1.00 30.47 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -3.429 5.075 -8.817 1.00 32.02 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -4.498 4.208 -9.451 1.00 33.23 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -4.188 3.275 -10.185 1.00 33.52 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -5.763 4.509 -9.175 1.00 34.26 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? -6.855 3.741 -9.749 1.00 34.62 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? -8.173 4.516 -9.737 1.00 33.04 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -8.391 5.379 -8.888 1.00 30.89 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? -6.997 2.392 -9.036 1.00 36.77 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? -7.085 2.451 -7.518 1.00 38.65 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? -6.521 1.197 -6.858 1.00 40.71 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? -6.933 -0.083 -7.575 1.00 42.80 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? -6.727 -1.297 -6.739 1.00 44.13 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? -9.049 4.224 -10.708 1.00 32.27 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? -10.351 4.862 -10.720 1.00 32.30 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? -11.235 4.189 -9.692 1.00 31.54 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? -11.013 3.025 -9.353 1.00 31.44 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? -10.857 4.576 -12.129 1.00 32.35 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? -10.281 3.243 -12.441 1.00 32.73 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? -8.909 3.262 -11.817 1.00 32.86 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? -12.242 4.894 -9.208 1.00 31.30 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? -13.027 4.342 -8.117 1.00 31.44 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? -13.995 3.251 -8.594 1.00 31.39 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? -14.574 2.541 -7.777 1.00 30.58 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? -13.702 5.455 -7.325 1.00 32.01 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? -14.790 6.188 -8.067 1.00 31.25 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? -14.984 7.572 -7.485 1.00 31.37 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? -16.197 8.161 -8.029 1.00 31.08 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? -16.281 8.818 -9.183 1.00 31.26 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -15.206 9.017 -9.942 1.00 31.68 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? -17.457 9.294 -9.577 1.00 29.98 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? -14.118 3.074 -9.913 1.00 32.22 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? -14.723 1.857 -10.477 1.00 33.46 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? -14.044 0.570 -9.992 1.00 31.98 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? -14.672 -0.482 -9.955 1.00 31.06 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? -14.659 1.865 -12.008 1.00 35.29 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? -15.713 2.727 -12.682 1.00 36.62 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? -15.301 4.177 -12.844 1.00 37.03 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? -14.261 4.585 -12.290 1.00 37.72 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? -16.033 4.916 -13.533 1.00 39.10 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? -12.763 0.668 -9.646 1.00 32.60 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? -11.952 -0.480 -9.233 1.00 33.25 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? -11.744 -0.579 -7.728 1.00 31.07 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? -11.076 -1.508 -7.266 1.00 30.48 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? -10.572 -0.378 -9.878 1.00 35.53 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? -10.577 -0.338 -11.397 1.00 38.25 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? -10.336 -1.709 -12.013 1.00 40.58 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? -9.261 -1.648 -13.091 1.00 43.24 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? -9.651 -0.832 -14.278 1.00 44.14 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? -12.282 0.377 -6.969 1.00 27.95 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -12.087 0.411 -5.520 1.00 26.30 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -13.352 -0.090 -4.832 1.00 25.36 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -14.384 0.590 -4.881 1.00 24.04 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -11.764 1.834 -5.004 1.00 25.93 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -10.560 2.418 -5.752 1.00 26.32 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -11.494 1.803 -3.505 1.00 25.48 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -10.262 3.869 -5.427 1.00 26.20 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? -13.276 -1.268 -4.178 1.00 24.09 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? -14.405 -1.752 -3.387 1.00 23.65 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? -14.813 -0.769 -2.300 1.00 22.56 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? -13.958 -0.153 -1.666 1.00 22.40 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? -13.869 -3.035 -2.736 1.00 23.89 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? -12.742 -3.465 -3.603 1.00 24.39 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? -12.134 -2.201 -4.127 1.00 24.36 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? -16.116 -0.629 -2.098 1.00 21.78 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? -16.642 0.191 -1.021 1.00 21.27 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? -17.623 -0.649 -0.224 1.00 20.59 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? -17.998 -1.745 -0.645 1.00 20.72 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? -17.285 1.498 -1.548 1.00 21.41 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? -18.469 1.203 -2.482 1.00 21.47 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? -16.222 2.341 -2.236 1.00 21.39 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? -19.113 2.438 -3.089 1.00 21.49 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? -18.008 -0.138 0.936 1.00 20.40 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -18.815 -0.882 1.893 1.00 20.19 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -18.406 -0.459 3.284 1.00 20.29 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -17.523 0.392 3.448 1.00 19.82 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? -19.039 -1.043 4.293 1.00 20.19 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? -18.680 -0.734 5.670 1.00 20.45 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? -17.292 -1.274 6.041 1.00 20.22 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? -16.540 -0.586 6.731 1.00 19.64 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? -19.762 -1.201 6.649 1.00 20.93 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? -21.133 -0.547 6.410 1.00 21.14 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? -22.126 -0.976 7.474 1.00 21.27 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? -21.035 0.971 6.363 1.00 21.26 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? -16.938 -2.488 5.575 1.00 19.93 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? -15.564 -2.917 5.836 1.00 19.59 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? -14.526 -1.980 5.220 1.00 19.10 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? -13.533 -1.659 5.872 1.00 18.92 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? -15.518 -4.318 5.212 1.00 19.69 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? -16.917 -4.808 5.361 1.00 19.88 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? -17.750 -3.596 5.040 1.00 19.78 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? -14.761 -1.522 3.991 1.00 18.99 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? -13.837 -0.584 3.352 1.00 18.93 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? -13.781 0.736 4.121 1.00 18.71 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? -12.722 1.342 4.211 1.00 18.15 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? -14.205 -0.339 1.896 1.00 18.99 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? -14.902 1.170 4.694 1.00 19.07 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? -14.910 2.406 5.480 1.00 19.82 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? -14.075 2.256 6.751 1.00 20.92 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? -13.337 3.168 7.124 1.00 20.68 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? -16.335 2.847 5.821 1.00 19.64 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? -16.506 4.120 6.667 1.00 19.70 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? -15.729 5.312 6.118 1.00 19.71 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? -17.985 4.459 6.781 1.00 19.70 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? -14.188 1.105 7.408 1.00 22.07 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? -13.366 0.802 8.580 1.00 23.63 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? -11.865 0.870 8.233 1.00 22.91 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? -11.072 1.457 8.976 1.00 22.39 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? -13.759 -0.573 9.137 1.00 25.17 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? -12.938 -0.981 10.341 1.00 26.60 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? -12.790 -0.175 11.273 1.00 28.15 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? -12.454 -2.125 10.364 1.00 29.10 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? -11.491 0.292 7.092 1.00 23.45 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? -10.116 0.367 6.577 1.00 24.14 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? -9.695 1.807 6.321 1.00 22.91 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? -8.568 2.197 6.637 1.00 22.16 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? -9.976 -0.391 5.243 1.00 25.57 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? -10.317 -1.762 5.442 1.00 29.00 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? -8.563 -0.326 4.697 1.00 26.30 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? -10.597 2.582 5.720 1.00 21.90 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? -10.293 3.954 5.325 1.00 21.14 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? -9.967 4.795 6.547 1.00 20.86 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -8.985 5.534 6.551 1.00 20.61 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? -11.464 4.561 4.559 1.00 21.30 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? -10.796 4.675 7.579 1.00 20.75 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? -10.579 5.374 8.842 1.00 20.72 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? -9.207 4.998 9.390 1.00 21.78 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -8.421 5.870 9.779 1.00 21.57 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? -11.665 5.018 9.883 1.00 20.18 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? -13.035 5.549 9.445 1.00 19.83 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? -11.306 5.578 11.255 1.00 20.36 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? -14.208 4.896 10.148 1.00 19.62 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? -8.918 3.698 9.397 1.00 22.09 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? -7.656 3.198 9.934 1.00 22.74 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -6.466 3.785 9.183 1.00 22.80 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -5.505 4.241 9.802 1.00 22.66 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? -7.613 1.670 9.893 1.00 23.11 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? -8.577 1.132 10.778 1.00 23.96 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -6.561 3.802 7.857 1.00 22.60 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -5.528 4.362 6.993 1.00 22.92 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -5.276 5.845 7.264 1.00 23.43 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -4.124 6.299 7.298 1.00 22.63 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -5.915 4.199 5.509 1.00 23.19 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? -5.753 2.829 5.118 1.00 22.99 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -5.056 5.089 4.603 1.00 23.25 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -6.354 6.602 7.437 1.00 23.15 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -6.243 8.042 7.611 1.00 23.23 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -5.647 8.422 8.963 1.00 24.28 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.205 9.556 9.140 1.00 24.09 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -7.605 8.711 7.410 1.00 22.89 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -8.173 8.569 5.994 1.00 22.27 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -9.600 9.092 5.942 1.00 22.35 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -7.302 9.274 4.964 1.00 22.51 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -5.626 7.480 9.907 1.00 25.67 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -5.056 7.727 11.231 1.00 27.92 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -3.565 8.022 11.153 1.00 29.74 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -3.035 8.751 11.994 1.00 30.02 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -5.274 6.532 12.169 1.00 28.59 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -6.697 6.279 12.674 1.00 29.27 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -6.791 4.901 13.312 1.00 30.20 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -7.122 7.354 13.657 1.00 29.81 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -2.891 7.446 10.160 1.00 31.03 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -1.456 7.656 10.001 1.00 33.26 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -1.086 8.024 8.583 1.00 31.89 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -1.352 7.287 7.633 1.00 33.22 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -0.683 6.437 10.480 1.00 35.49 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -0.796 6.228 11.954 1.00 37.82 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -1.616 5.271 12.511 1.00 39.38 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -0.243 6.901 12.990 1.00 38.83 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -1.536 5.339 13.828 1.00 39.90 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -0.710 6.321 14.145 1.00 40.09 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -0.445 9.180 8.467 1.00 29.14 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -0.246 9.823 7.188 1.00 26.76 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 0.452 8.939 6.159 1.00 26.24 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 1.554 8.437 6.387 1.00 25.94 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 0.542 11.114 7.372 1.00 25.89 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 0.768 11.840 6.074 1.00 24.61 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -0.303 12.236 5.284 1.00 24.46 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 2.048 12.118 5.627 1.00 24.36 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -0.103 12.898 4.088 1.00 23.62 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 2.258 12.781 4.434 1.00 23.68 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 1.179 13.172 3.670 1.00 23.45 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 1.390 13.836 2.481 1.00 22.77 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -0.209 8.777 5.022 1.00 25.36 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 0.340 8.093 3.865 1.00 25.31 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -0.468 8.627 2.682 1.00 24.19 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -1.603 8.208 2.473 1.00 23.01 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 0.164 6.582 4.052 1.00 26.52 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 0.685 5.760 2.886 1.00 28.18 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 0.646 6.217 1.722 1.00 27.51 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 1.111 4.612 3.144 1.00 31.96 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 0.087 9.575 1.929 1.00 23.69 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -0.741 10.339 0.978 1.00 23.77 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -1.319 9.479 -0.146 1.00 23.41 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -2.441 9.716 -0.604 1.00 22.01 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? 0.010 11.537 0.394 1.00 24.01 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 1.016 11.133 -0.511 1.00 24.62 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -0.562 8.477 -0.582 1.00 23.29 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -1.062 7.539 -1.586 1.00 23.14 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -2.209 6.691 -1.052 1.00 22.17 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -3.257 6.612 -1.687 1.00 22.75 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? 0.057 6.631 -2.121 1.00 23.77 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 1.004 7.438 -2.826 1.00 24.38 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -0.500 5.573 -3.077 1.00 23.82 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -2.014 6.056 0.099 1.00 21.33 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -3.072 5.251 0.716 1.00 20.60 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -4.271 6.131 1.106 1.00 19.91 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -5.419 5.717 0.966 1.00 19.30 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.539 4.500 1.927 1.00 20.42 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -3.992 7.345 1.582 1.00 19.60 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -5.041 8.289 1.969 1.00 19.34 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -5.978 8.629 0.810 1.00 19.27 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -7.184 8.724 0.995 1.00 19.03 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -4.430 9.559 2.535 1.00 19.22 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.427 8.817 -0.385 1.00 19.64 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -6.254 9.113 -1.562 1.00 19.76 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -7.313 8.035 -1.810 1.00 19.92 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -8.484 8.345 -2.092 1.00 19.95 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.386 9.296 -2.791 1.00 20.05 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -6.914 6.773 -1.691 1.00 19.38 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -7.849 5.666 -1.850 1.00 18.92 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -8.855 5.651 -0.715 1.00 18.76 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -10.053 5.463 -0.942 1.00 18.53 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -8.368 5.864 0.506 1.00 18.34 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -9.235 5.890 1.681 1.00 17.94 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -10.269 7.015 1.570 1.00 17.55 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -11.426 6.843 1.952 1.00 17.06 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -8.410 6.044 2.944 1.00 17.81 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -9.854 8.157 1.035 1.00 17.35 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -10.750 9.288 0.888 1.00 17.95 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -11.837 9.035 -0.169 1.00 18.06 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -12.983 9.460 0.009 1.00 17.56 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -9.962 10.575 0.613 1.00 18.12 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -9.175 11.070 1.833 1.00 18.11 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -8.109 12.086 1.438 1.00 18.30 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -10.109 11.654 2.879 1.00 18.25 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -11.499 8.313 -1.238 1.00 17.92 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -12.507 7.902 -2.221 1.00 17.72 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? -13.579 7.027 -1.593 1.00 17.37 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? -14.763 7.194 -1.879 1.00 16.77 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -11.867 7.182 -3.412 1.00 17.96 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -11.043 8.110 -4.304 1.00 17.85 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -10.198 7.333 -5.299 1.00 18.57 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -11.938 9.092 -5.036 1.00 17.84 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? -13.165 6.107 -0.727 1.00 17.25 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? -14.105 5.266 -0.002 1.00 17.40 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? -14.945 6.117 0.948 1.00 17.72 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? -16.171 5.956 1.032 1.00 17.76 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? -13.373 4.175 0.812 1.00 17.48 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? -14.348 3.395 1.684 1.00 17.38 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? -12.617 3.228 -0.115 1.00 17.70 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? -14.273 7.009 1.671 1.00 17.53 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? -14.919 7.818 2.690 1.00 18.64 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? -15.990 8.722 2.091 1.00 18.32 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? -17.101 8.794 2.609 1.00 17.48 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -13.890 8.674 3.431 1.00 19.71 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -14.492 9.708 4.389 1.00 20.88 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -15.103 9.018 5.590 1.00 21.37 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -13.450 10.720 4.830 1.00 22.11 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -15.635 9.409 1.008 1.00 18.13 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -16.546 10.341 0.338 1.00 18.56 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? -17.809 9.629 -0.139 1.00 18.75 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? -18.924 10.150 0.008 1.00 18.63 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -15.855 11.037 -0.853 1.00 19.07 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -14.825 12.057 -0.353 1.00 19.31 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -16.870 11.749 -1.740 1.00 19.16 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -13.806 12.448 -1.404 1.00 19.63 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? -17.634 8.435 -0.702 1.00 18.46 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? -18.752 7.700 -1.270 1.00 18.60 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? -19.677 7.083 -0.219 1.00 18.62 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? -20.895 7.031 -0.421 1.00 18.55 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? -18.249 6.637 -2.235 1.00 18.81 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? -17.486 7.221 -3.406 1.00 18.76 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? -17.005 6.154 -4.347 1.00 19.09 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? -15.873 5.669 -4.235 1.00 19.72 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? -17.864 5.762 -5.268 1.00 18.15 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? -19.107 6.618 0.892 1.00 18.01 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? -19.892 5.989 1.949 1.00 18.60 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? -20.485 6.985 2.941 1.00 18.58 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? -21.213 6.585 3.854 1.00 18.98 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? -19.061 4.956 2.742 1.00 18.42 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? -17.891 5.585 3.277 1.00 18.44 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? -18.667 3.793 1.851 1.00 18.13 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? -20.163 8.268 2.786 1.00 18.63 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? -20.749 9.308 3.630 1.00 18.64 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? -21.527 10.302 2.758 1.00 18.51 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? -22.738 10.158 2.596 1.00 18.26 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? -19.689 10.006 4.516 1.00 18.43 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? -18.709 10.670 3.705 1.00 18.14 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? -18.998 8.986 5.427 1.00 18.50 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? -20.825 11.267 2.170 1.00 18.53 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -21.447 12.321 1.359 1.00 18.94 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? -22.349 11.805 0.233 1.00 19.19 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? -23.494 12.255 0.100 1.00 18.82 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -20.382 13.241 0.784 1.00 19.06 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? -21.853 10.869 -0.571 1.00 19.09 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? -22.642 10.383 -1.707 1.00 19.59 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? -23.897 9.634 -1.232 1.00 19.19 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? -24.966 9.761 -1.839 1.00 18.56 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? -21.804 9.518 -2.664 1.00 19.80 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? -20.585 10.217 -3.264 1.00 20.20 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? -20.918 11.328 -4.254 1.00 20.83 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? -22.076 11.803 -4.294 1.00 21.35 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -20.010 11.739 -5.003 1.00 20.77 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? -23.769 8.873 -0.145 1.00 19.13 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? -24.920 8.175 0.445 1.00 19.60 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? -25.953 9.150 1.015 1.00 19.55 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? -27.158 8.912 0.914 1.00 19.68 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? -24.470 7.196 1.515 1.00 19.61 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? -25.485 10.247 1.609 1.00 19.24 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? -26.395 11.307 2.047 1.00 19.28 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? -27.163 11.911 0.871 1.00 19.54 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? -28.350 12.206 1.003 1.00 19.23 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? -25.645 12.397 2.786 1.00 18.80 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? -26.489 12.095 -0.261 1.00 19.95 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? -27.106 12.721 -1.439 1.00 21.10 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? -28.139 11.864 -2.149 1.00 21.04 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? -29.082 12.400 -2.739 1.00 20.51 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? -26.040 13.110 -2.462 1.00 21.53 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? -25.180 14.274 -2.035 1.00 22.16 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -23.953 14.354 -2.914 1.00 23.23 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -23.059 15.432 -2.505 1.00 24.08 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -21.734 15.390 -2.620 1.00 25.03 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -21.143 14.315 -3.130 1.00 25.85 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -20.997 16.416 -2.219 1.00 24.09 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? -27.942 10.547 -2.123 1.00 21.24 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? -28.777 9.618 -2.876 1.00 21.91 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? -29.158 8.402 -2.043 1.00 22.36 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? -28.286 7.678 -1.553 1.00 21.14 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? -28.035 9.117 -4.114 1.00 22.46 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? -27.692 10.185 -5.104 1.00 22.75 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? -28.636 10.632 -6.018 1.00 23.19 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? -26.410 10.721 -5.150 1.00 23.39 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? -28.311 11.607 -6.952 1.00 23.44 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? -26.077 11.694 -6.079 1.00 23.59 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? -27.033 12.139 -6.983 1.00 23.63 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? -30.462 8.162 -1.919 1.00 23.01 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? -30.977 6.983 -1.224 1.00 24.34 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? -30.448 5.689 -1.847 1.00 23.05 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? -30.155 4.733 -1.129 1.00 21.18 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? -32.512 6.987 -1.237 1.00 26.85 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? -33.176 5.859 -0.447 1.00 29.72 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? -33.929 6.335 0.796 1.00 31.73 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? -33.002 6.577 1.979 1.00 32.78 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? -33.465 5.952 3.256 1.00 33.10 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? -30.328 5.660 -3.174 1.00 22.68 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? -29.811 4.487 -3.867 1.00 22.99 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? -28.395 4.129 -3.383 1.00 22.21 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? -28.090 2.959 -3.129 1.00 21.06 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? -29.815 4.709 -5.382 1.00 24.42 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? -29.131 3.601 -6.156 1.00 25.90 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? -29.827 2.455 -6.528 1.00 26.77 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? -27.788 3.697 -6.503 1.00 25.83 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? -29.204 1.433 -7.225 1.00 27.57 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? -27.158 2.684 -7.202 1.00 26.67 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? -27.869 1.553 -7.560 1.00 27.37 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? -27.253 0.543 -8.260 1.00 28.06 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? -27.537 5.136 -3.251 1.00 21.28 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? -26.161 4.892 -2.823 1.00 21.08 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? -26.131 4.424 -1.364 1.00 21.15 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? -25.401 3.491 -1.038 1.00 20.82 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? -25.246 6.109 -3.082 1.00 20.72 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? -25.129 6.320 -4.594 1.00 20.66 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? -23.865 5.889 -2.463 1.00 20.79 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? -24.377 7.558 -5.029 1.00 20.71 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? -26.945 5.037 -0.507 1.00 21.73 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? -27.095 4.576 0.874 1.00 22.35 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? -27.437 3.083 0.915 1.00 23.29 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? -26.837 2.331 1.682 1.00 22.80 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? -28.178 5.371 1.613 1.00 22.70 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? -28.629 4.755 2.937 1.00 22.89 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? -29.757 5.523 3.607 1.00 23.75 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? -30.293 6.468 3.002 1.00 24.08 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? -30.112 5.185 4.750 1.00 24.77 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? -28.408 2.676 0.097 1.00 23.98 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? -28.826 1.273 0.017 1.00 25.53 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? -27.713 0.354 -0.499 1.00 24.51 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? -27.525 -0.746 0.019 1.00 25.06 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? -30.092 1.144 -0.838 1.00 27.53 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? -31.315 1.756 -0.159 1.00 29.68 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? -32.516 1.901 -1.078 1.00 32.72 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? -32.381 1.984 -2.302 1.00 35.25 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? -33.700 1.945 -0.488 1.00 34.77 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? -26.967 0.815 -1.495 1.00 23.56 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? -25.818 0.067 -2.006 1.00 24.35 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? -24.786 -0.207 -0.915 1.00 23.33 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? -24.233 -1.303 -0.844 1.00 22.91 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? -25.161 0.808 -3.172 1.00 24.79 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? -25.992 0.799 -4.438 1.00 26.42 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? -26.113 -0.588 -5.040 1.00 27.68 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? -27.181 -1.207 -5.000 1.00 29.70 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? -25.015 -1.089 -5.589 1.00 27.49 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? -24.544 0.785 -0.060 1.00 22.86 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? -23.602 0.623 1.051 1.00 23.15 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? -24.182 -0.315 2.108 1.00 23.69 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? -23.453 -1.109 2.703 1.00 23.38 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? -23.220 1.972 1.698 1.00 22.81 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? -22.653 2.952 0.655 1.00 22.92 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? -22.211 1.763 2.816 1.00 22.55 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? -21.641 2.361 -0.301 1.00 23.04 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? -25.490 -0.231 2.331 1.00 24.30 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? -26.168 -1.167 3.231 1.00 24.87 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? -26.031 -2.604 2.746 1.00 25.48 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? -25.832 -3.502 3.555 1.00 25.94 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? -27.645 -0.804 3.389 1.00 25.35 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? -27.865 0.433 4.232 1.00 25.60 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? -29.303 0.928 4.200 1.00 26.41 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? -29.941 0.976 3.146 1.00 27.27 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? -29.813 1.310 5.358 1.00 26.51 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? -26.122 -2.813 1.433 1.00 26.41 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? -25.912 -4.136 0.843 1.00 27.51 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? -24.468 -4.611 1.044 1.00 26.44 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? -24.206 -5.810 1.039 1.00 25.10 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? -26.262 -4.131 -0.652 1.00 30.02 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? -27.745 -3.910 -0.927 1.00 31.99 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? -28.095 -3.881 -2.407 1.00 34.12 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? -29.261 -3.556 -2.728 1.00 36.39 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? -27.219 -4.177 -3.251 1.00 35.61 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? -23.549 -3.659 1.226 1.00 24.58 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? -22.141 -3.949 1.460 1.00 23.65 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? -21.749 -3.782 2.922 1.00 23.16 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? -20.624 -3.379 3.222 1.00 23.47 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? -21.280 -3.024 0.603 1.00 23.33 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? -21.451 -3.207 -0.890 1.00 23.63 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? -21.123 -1.923 -1.636 1.00 23.87 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? -20.971 -2.133 -3.069 1.00 23.93 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? -21.973 -2.379 -3.911 1.00 24.93 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? -23.229 -2.457 -3.482 1.00 24.82 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? -21.716 -2.557 -5.199 1.00 25.33 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? -22.664 -4.094 3.836 1.00 22.83 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? -22.385 -3.965 5.267 1.00 22.52 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? -21.279 -4.913 5.743 1.00 22.70 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? -20.535 -4.571 6.646 1.00 22.15 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? -23.647 -4.199 6.085 1.00 22.32 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? -21.198 -6.106 5.158 1.00 22.85 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? -20.253 -7.134 5.631 1.00 23.87 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? -19.356 -7.688 4.517 1.00 23.96 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? -18.537 -8.581 4.758 1.00 24.07 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? -21.019 -8.281 6.313 1.00 24.40 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? -22.128 -7.824 7.246 1.00 24.62 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? -21.842 -7.114 8.409 1.00 25.18 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? -23.462 -8.104 6.963 1.00 25.66 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? -22.854 -6.692 9.262 1.00 25.39 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? -24.478 -7.687 7.808 1.00 25.96 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? -24.170 -6.982 8.956 1.00 25.98 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? -25.181 -6.569 9.801 1.00 26.77 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? -19.512 -7.149 3.311 1.00 24.81 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? -18.707 -7.527 2.157 1.00 25.80 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? -18.590 -6.324 1.241 1.00 25.21 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? -19.603 -5.810 0.752 1.00 24.30 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? -19.364 -8.677 1.390 1.00 27.34 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? -18.627 -9.075 0.119 1.00 29.62 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? -19.304 -10.240 -0.579 1.00 31.22 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? -20.590 -9.864 -1.174 1.00 33.35 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? -21.449 -10.724 -1.721 1.00 34.85 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? -21.174 -12.023 -1.752 1.00 36.20 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? -22.591 -10.291 -2.240 1.00 35.68 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? -17.360 -5.882 1.000 1.00 24.17 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? -17.124 -4.788 0.075 1.00 24.42 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? -17.394 -5.221 -1.352 1.00 25.38 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? -17.272 -6.398 -1.704 1.00 25.16 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? -15.682 -4.277 0.163 1.00 23.84 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? -15.384 -3.583 1.468 1.00 23.50 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? -16.302 -2.963 2.057 1.00 22.75 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? -14.215 -3.636 1.897 1.00 23.25 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? -17.754 -4.251 -2.178 1.00 25.74 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? -17.892 -4.483 -3.600 1.00 26.22 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? -17.721 -3.157 -4.308 1.00 26.00 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? -18.147 -2.114 -3.801 1.00 25.25 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? -19.255 -5.101 -3.912 1.00 27.59 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? -19.422 -5.558 -5.353 1.00 28.87 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? -20.804 -6.114 -5.638 1.00 30.17 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? -21.435 -6.673 -4.718 1.00 31.72 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? -21.263 -5.989 -6.788 1.00 31.24 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? -17.072 -3.188 -5.467 1.00 26.00 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? -16.910 -1.979 -6.263 1.00 26.60 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? -18.300 -1.390 -6.527 1.00 26.29 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? -19.283 -2.132 -6.593 1.00 25.00 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? -16.164 -2.224 -7.597 1.00 26.97 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? -14.734 -2.706 -7.348 1.00 27.19 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? -16.921 -3.201 -8.493 1.00 27.61 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? -18.389 -0.057 -6.654 1.00 26.88 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? -19.685 0.588 -6.884 1.00 27.48 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? -20.340 0.172 -8.198 1.00 27.98 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? -19.648 -0.042 -9.191 1.00 27.23 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? -19.340 2.082 -6.929 1.00 27.49 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? -17.868 2.147 -7.153 1.00 27.89 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? -17.304 0.927 -6.504 1.00 27.20 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? -21.667 0.067 -8.204 1.00 28.65 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? -22.396 -0.134 -9.453 1.00 29.56 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? -22.145 1.047 -10.394 1.00 30.30 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? -21.822 2.155 -9.954 1.00 29.00 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? -23.900 -0.297 -9.198 1.00 29.65 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? -24.485 0.879 -8.654 1.00 29.69 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? -22.278 0.798 -11.693 1.00 31.80 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? -22.182 1.862 -12.693 1.00 32.42 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? -23.224 2.958 -12.431 1.00 30.97 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? -22.972 4.137 -12.670 1.00 29.99 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? -22.367 1.287 -14.099 1.00 34.65 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? -21.343 0.348 -14.410 1.00 37.73 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? -24.392 2.560 -11.938 1.00 30.25 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? -25.432 3.515 -11.557 1.00 29.64 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? -24.954 4.433 -10.430 1.00 28.45 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? -25.210 5.640 -10.445 1.00 27.61 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? -26.692 2.779 -11.134 1.00 29.51 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? -24.266 3.853 -9.453 1.00 27.02 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? -23.711 4.622 -8.343 1.00 25.70 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? -22.764 5.689 -8.867 1.00 25.86 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? -22.875 6.856 -8.505 1.00 26.31 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? -22.953 3.716 -7.349 1.00 25.09 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? -23.890 2.907 -6.630 1.00 24.74 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? -22.142 4.547 -6.358 1.00 24.40 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? -21.830 5.271 -9.714 1.00 25.56 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? -20.853 6.179 -10.306 1.00 25.94 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? -21.564 7.300 -11.065 1.00 25.70 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? -21.209 8.478 -10.956 1.00 23.93 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? -19.909 5.417 -11.269 1.00 26.47 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? -19.031 4.407 -10.501 1.00 26.68 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? -19.043 6.380 -12.073 1.00 26.65 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? -18.017 5.022 -9.565 1.00 27.00 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? -22.575 6.916 -11.832 1.00 26.21 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? -23.340 7.855 -12.648 1.00 26.84 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? -24.041 8.920 -11.798 1.00 25.18 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? -24.011 10.104 -12.131 1.00 25.11 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? -24.360 7.085 -13.484 1.00 27.43 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? -25.203 7.956 -14.212 1.00 29.35 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? -24.664 8.493 -10.703 1.00 24.47 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? -25.343 9.416 -9.791 1.00 23.93 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? -24.371 10.395 -9.149 1.00 23.59 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? -24.661 11.593 -9.059 1.00 23.08 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? -26.083 8.648 -8.693 1.00 24.11 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? -27.285 7.827 -9.154 1.00 24.65 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? -27.727 6.873 -8.053 1.00 24.80 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? -28.428 8.740 -9.580 1.00 24.74 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? -23.224 9.880 -8.702 1.00 22.74 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? -22.170 10.716 -8.118 1.00 22.14 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? -21.786 11.813 -9.096 1.00 22.24 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -21.748 12.997 -8.755 1.00 22.23 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? -20.928 9.872 -7.788 1.00 21.84 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? -21.163 8.835 -6.703 1.00 21.75 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? -19.989 7.897 -6.506 1.00 21.87 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? -19.014 7.972 -7.284 1.00 22.32 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? -20.057 7.078 -5.566 1.00 21.61 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? -21.525 11.404 -10.330 1.00 23.08 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -21.103 12.323 -11.379 1.00 24.15 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -22.185 13.304 -11.831 1.00 24.76 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -21.866 14.329 -12.426 1.00 25.77 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? -20.612 11.542 -12.597 1.00 24.40 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -19.318 10.800 -12.342 1.00 25.07 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -18.566 11.124 -11.422 1.00 25.76 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? -19.046 9.796 -13.171 1.00 25.23 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? -23.449 12.989 -11.550 1.00 25.24 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? -24.588 13.787 -12.012 1.00 25.88 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -25.266 14.647 -10.935 1.00 25.65 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -26.265 15.322 -11.223 1.00 25.68 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? -25.639 12.858 -12.621 1.00 26.57 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? -25.081 12.087 -13.677 1.00 27.35 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -24.744 14.637 -9.712 1.00 24.31 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -25.431 15.305 -8.609 1.00 24.50 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -25.638 16.783 -8.886 1.00 24.91 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -26.719 17.317 -8.641 1.00 23.96 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -24.675 15.142 -7.296 1.00 23.72 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -25.383 15.762 -6.124 1.00 23.10 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -26.642 15.476 -5.684 1.00 22.97 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -24.862 16.756 -5.232 1.00 22.69 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -26.939 16.231 -4.573 1.00 22.72 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -25.865 17.027 -4.276 1.00 22.50 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -23.646 17.445 -5.149 1.00 22.38 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -25.691 17.957 -3.250 1.00 22.35 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -23.472 18.371 -4.127 1.00 22.22 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -24.490 18.617 -3.192 1.00 22.49 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -24.593 17.431 -9.389 1.00 25.65 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -24.634 18.852 -9.693 1.00 27.33 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -25.630 19.143 -10.815 1.00 27.60 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -26.451 20.057 -10.708 1.00 27.73 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -23.242 19.340 -10.094 1.00 27.86 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -23.227 20.750 -10.210 1.00 29.70 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -25.545 18.359 -11.886 1.00 27.80 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -26.469 18.468 -13.012 1.00 28.20 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -27.923 18.271 -12.619 1.00 28.28 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -28.790 19.059 -13.011 1.00 28.64 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -28.192 17.226 -11.839 1.00 27.73 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -29.549 16.948 -11.355 1.00 27.31 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -30.077 18.046 -10.449 1.00 27.12 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -31.230 18.470 -10.575 1.00 26.05 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? -29.596 15.629 -10.582 1.00 28.30 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? -29.525 14.345 -11.401 1.00 29.25 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? -29.296 13.163 -10.468 1.00 29.75 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? -30.792 14.152 -12.225 1.00 29.43 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -29.238 18.478 -9.515 1.00 26.19 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -29.592 19.550 -8.603 1.00 26.38 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -30.020 20.791 -9.385 1.00 28.07 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -31.051 21.407 -9.088 1.00 27.65 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -28.409 19.873 -7.686 1.00 26.07 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -28.186 18.821 -6.758 1.00 24.53 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -29.233 21.134 -10.398 1.00 28.48 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -29.507 22.291 -11.234 1.00 29.84 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -30.832 22.141 -11.988 1.00 29.10 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -31.679 23.030 -11.945 1.00 27.90 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -28.358 22.498 -12.218 1.00 31.92 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -28.552 23.676 -13.158 1.00 34.50 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -27.330 23.889 -14.028 1.00 36.16 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -27.457 25.171 -14.826 1.00 38.06 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -26.198 25.468 -15.563 1.00 39.92 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -31.005 21.010 -12.666 1.00 28.81 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -32.186 20.780 -13.493 1.00 28.96 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -33.483 20.703 -12.685 1.00 28.38 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -34.543 21.105 -13.176 1.00 27.99 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -32.018 19.518 -14.348 1.00 29.40 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -30.981 19.654 -15.450 1.00 30.21 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -31.226 20.864 -16.334 1.00 31.71 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -32.374 21.188 -16.661 1.00 31.33 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -30.152 21.549 -16.718 1.00 32.64 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -33.400 20.200 -11.456 1.00 27.07 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -34.567 20.131 -10.582 1.00 27.03 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -34.969 21.546 -10.163 1.00 27.94 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -36.154 21.866 -10.097 1.00 27.17 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? -34.318 19.237 -9.344 1.00 26.48 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? -34.113 17.781 -9.775 1.00 26.26 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? -35.494 19.299 -8.376 1.00 26.43 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? -33.557 16.879 -8.688 1.00 25.66 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -33.979 22.392 -9.893 1.00 28.48 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -34.247 23.794 -9.595 1.00 29.32 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -34.798 24.549 -10.812 1.00 30.11 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -35.776 25.289 -10.686 1.00 29.71 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -32.999 24.477 -9.039 1.00 29.30 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -32.818 24.230 -7.551 1.00 29.37 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -31.393 24.448 -7.095 1.00 29.64 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -31.019 25.552 -6.714 1.00 29.84 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -30.583 23.397 -7.150 1.00 30.03 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -34.194 24.344 -11.981 1.00 30.82 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -34.658 24.990 -13.216 1.00 32.06 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -36.076 24.558 -13.605 1.00 32.86 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -36.789 25.291 -14.292 1.00 32.44 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -33.698 24.709 -14.379 1.00 32.54 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -32.312 25.359 -14.325 1.00 33.47 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -31.467 24.912 -15.505 1.00 34.00 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -32.405 26.874 -14.310 1.00 34.02 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -36.478 23.370 -13.169 1.00 32.98 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -37.817 22.864 -13.440 1.00 33.97 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -38.918 23.617 -12.674 1.00 35.36 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -40.084 23.568 -13.081 1.00 34.39 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? -37.881 21.376 -13.136 1.00 33.77 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -38.560 24.306 -11.584 1.00 36.64 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -39.535 25.047 -10.767 1.00 38.63 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -40.417 25.967 -11.608 1.00 38.91 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -41.631 25.998 -11.422 1.00 41.59 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -38.849 25.906 -9.698 1.00 41.28 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -38.205 25.150 -8.547 1.00 43.76 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -37.504 26.086 -7.571 1.00 45.36 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -38.077 26.477 -6.551 1.00 47.01 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -36.268 26.470 -7.893 1.00 45.28 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -39.800 26.718 -12.519 1.00 36.42 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -40.534 27.627 -13.404 1.00 34.59 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -40.706 27.117 -14.824 1.00 32.59 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -40.964 27.900 -15.735 1.00 31.54 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -40.570 25.807 -15.007 1.00 30.96 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -40.653 25.181 -16.318 1.00 30.43 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -41.579 23.967 -16.256 1.00 29.38 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? -41.381 22.979 -16.963 1.00 28.93 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -39.239 24.798 -16.794 1.00 31.30 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -39.172 24.444 -18.276 1.00 32.00 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -38.522 23.471 -18.659 1.00 32.70 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -39.821 25.236 -19.116 1.00 32.58 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? -42.600 24.063 -15.402 1.00 28.65 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? -43.632 23.034 -15.269 1.00 29.13 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? -43.090 21.645 -14.913 1.00 29.48 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? -43.655 20.634 -15.315 1.00 29.25 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? -44.480 22.966 -16.552 1.00 28.63 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? -45.283 24.233 -16.786 1.00 27.86 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? -45.908 24.756 -15.866 1.00 27.93 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? -45.266 24.735 -18.010 1.00 27.34 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? -42.001 21.603 -14.150 1.00 30.36 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? -41.393 20.332 -13.760 1.00 30.98 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? -40.548 19.668 -14.837 1.00 30.83 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? -40.127 18.527 -14.661 1.00 29.56 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? -40.283 20.380 -15.936 1.00 31.72 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? -39.506 19.845 -17.058 1.00 32.04 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? -38.064 20.358 -16.992 1.00 33.44 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? -37.837 21.558 -16.822 1.00 33.48 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? -40.143 20.243 -18.413 1.00 32.00 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? -39.242 19.879 -19.586 1.00 31.85 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? -41.507 19.585 -18.572 1.00 32.25 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? -37.100 19.447 -17.127 1.00 34.10 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? -35.682 19.810 -17.178 1.00 34.84 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -35.412 20.651 -18.431 1.00 36.12 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? -35.866 20.295 -19.519 1.00 37.13 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? -34.801 18.544 -17.226 1.00 34.35 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? -34.708 17.776 -15.918 1.00 33.24 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? -35.565 18.025 -14.846 1.00 33.00 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? -33.753 16.771 -15.777 1.00 33.49 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? -35.453 17.305 -13.664 1.00 33.05 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? -33.644 16.046 -14.600 1.00 32.92 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? -34.494 16.312 -13.543 1.00 32.66 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -34.686 21.761 -18.280 1.00 36.76 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -34.199 22.534 -19.438 1.00 37.96 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -33.257 21.686 -20.296 1.00 38.60 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -33.289 21.768 -21.524 1.00 38.63 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -33.447 23.799 -19.000 1.00 38.37 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -34.271 24.833 -18.242 1.00 38.71 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -35.146 25.674 -19.160 1.00 38.72 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -36.036 26.550 -18.396 1.00 38.37 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -36.975 27.336 -18.925 1.00 37.84 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -37.165 27.377 -20.238 1.00 36.67 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -37.726 28.096 -18.131 1.00 37.44 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -32.418 20.890 -19.630 1.00 38.43 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -31.472 19.985 -20.282 1.00 39.55 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -31.600 18.608 -19.625 1.00 39.62 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -31.482 18.500 -18.405 1.00 38.83 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -30.019 20.484 -20.133 1.00 39.78 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -29.924 21.839 -20.587 1.00 40.05 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -29.045 19.616 -20.934 1.00 39.59 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? -31.858 17.552 -20.419 1.00 40.16 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? -31.996 16.232 -19.804 1.00 39.80 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? -30.685 15.729 -19.222 1.00 39.07 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? -29.616 16.124 -19.688 1.00 40.09 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? -32.427 15.334 -20.972 1.00 40.89 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? -32.945 16.268 -22.014 1.00 41.35 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? -32.106 17.500 -21.870 1.00 40.89 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? -30.784 14.864 -18.218 1.00 38.47 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? -29.626 14.291 -17.549 1.00 37.39 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? -29.541 12.809 -17.894 1.00 37.59 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? -30.507 12.070 -17.700 1.00 36.36 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? -29.735 14.472 -16.023 1.00 37.64 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? -29.609 15.865 -15.699 1.00 37.25 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? -28.650 13.680 -15.286 1.00 37.49 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? -28.386 12.381 -18.401 1.00 37.89 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? -28.171 10.978 -18.751 1.00 37.71 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? -27.588 10.222 -17.556 1.00 37.09 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? -26.534 10.593 -17.036 1.00 36.30 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? -27.210 10.814 -19.950 1.00 38.59 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? -27.220 9.373 -20.441 1.00 39.24 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? -27.588 11.753 -21.085 1.00 39.59 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? -28.282 9.163 -17.143 1.00 37.49 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? -27.833 8.279 -16.069 1.00 37.67 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? -27.698 6.840 -16.556 1.00 40.35 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? -28.219 6.484 -17.617 1.00 41.51 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? -28.841 8.288 -14.922 1.00 36.44 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? -29.112 9.601 -14.192 1.00 35.62 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? -30.031 9.323 -13.018 1.00 35.85 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? -27.825 10.252 -13.721 1.00 35.45 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? -26.997 6.023 -15.771 1.00 40.95 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? -27.051 4.569 -15.902 1.00 42.29 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? -27.965 4.050 -14.796 1.00 43.42 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? -27.875 4.509 -13.658 1.00 41.22 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? -25.658 3.919 -15.766 1.00 42.67 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? -25.767 2.399 -15.815 1.00 43.11 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? -24.728 4.420 -16.860 1.00 42.93 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? -28.839 3.100 -15.127 1.00 45.95 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? -29.784 2.555 -14.142 1.00 49.52 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? -29.245 1.302 -13.444 1.00 50.90 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? -28.163 0.810 -13.778 1.00 49.22 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? -31.173 2.304 -14.771 1.00 51.20 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? -31.211 1.100 -15.718 1.00 52.34 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? -30.235 0.322 -15.794 1.00 52.75 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? -32.250 0.934 -16.396 1.00 53.96 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? -30.015 0.800 -12.480 1.00 54.98 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? -29.650 -0.379 -11.679 1.00 59.55 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? -29.196 -1.595 -12.498 1.00 61.96 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? -28.413 -2.414 -12.014 1.00 63.27 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? -30.834 -0.785 -10.791 1.00 60.78 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? -31.976 -1.104 -11.572 1.00 61.54 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? -29.683 -1.699 -13.734 1.00 64.64 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? -29.417 -2.859 -14.591 1.00 66.51 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? -28.269 -2.630 -15.579 1.00 64.77 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? -28.019 -3.472 -16.443 1.00 66.32 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? -30.686 -3.237 -15.367 1.00 69.20 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? -31.974 -3.058 -14.573 1.00 71.31 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? -32.897 -4.260 -14.678 1.00 73.30 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? -33.849 -4.314 -13.494 1.00 74.79 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? -34.493 -5.648 -13.362 1.00 76.01 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? -27.577 -1.499 -15.453 1.00 62.53 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? -26.481 -1.155 -16.358 1.00 60.61 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? -26.921 -0.446 -17.629 1.00 59.27 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? -26.099 -0.202 -18.515 1.00 58.77 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? -28.206 -0.096 -17.715 1.00 58.03 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? -28.768 0.545 -18.910 1.00 57.78 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? -28.813 2.071 -18.808 1.00 57.45 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? -29.235 2.622 -17.792 1.00 56.17 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? -30.171 0.001 -19.195 1.00 57.59 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? -30.149 -1.438 -19.677 1.00 56.93 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? -29.454 -1.766 -20.637 1.00 56.94 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? -30.912 -2.304 -19.016 1.00 56.71 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? -28.398 2.734 -19.889 1.00 58.51 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? -28.225 4.192 -19.930 1.00 59.40 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? -29.555 4.895 -20.232 1.00 58.86 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? -30.111 4.730 -21.318 1.00 58.63 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? -27.139 4.551 -20.966 1.00 60.22 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? -27.101 5.997 -21.462 1.00 61.64 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? -27.788 6.141 -22.815 1.00 62.43 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? -27.967 7.528 -23.248 1.00 63.21 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? -29.055 8.011 -23.855 1.00 62.26 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? -29.087 9.289 -24.208 1.00 61.21 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? -30.121 7.248 -24.095 1.00 62.48 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? -30.056 5.676 -19.272 1.00 57.59 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? -31.380 6.304 -19.392 1.00 55.55 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? -31.349 7.830 -19.245 1.00 52.43 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? -30.428 8.392 -18.652 1.00 51.65 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? -32.392 5.683 -18.400 1.00 56.14 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? -32.512 4.187 -18.657 1.00 57.30 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? -31.998 5.942 -16.949 1.00 56.80 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? -32.370 8.481 -19.804 1.00 49.07 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? -32.483 9.940 -19.805 1.00 46.81 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? -33.526 10.414 -18.798 1.00 42.91 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? -34.649 9.915 -18.781 1.00 40.92 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? -32.882 10.450 -21.193 1.00 48.44 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? -31.756 10.459 -22.214 1.00 50.00 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? -31.838 11.644 -23.166 1.00 51.41 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? -32.924 12.027 -23.610 1.00 51.48 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? -30.684 12.233 -23.484 1.00 51.63 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? -33.150 11.387 -17.974 1.00 39.81 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? -34.057 11.982 -16.996 1.00 37.39 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? -34.477 13.346 -17.544 1.00 37.00 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? -33.634 14.216 -17.754 1.00 37.10 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? -33.375 12.148 -15.620 1.00 36.76 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? -32.613 10.872 -15.222 1.00 36.03 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? -34.393 12.528 -14.556 1.00 36.56 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? -33.445 9.607 -15.196 1.00 36.20 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? -35.774 13.522 -17.791 1.00 36.00 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? -36.276 14.724 -18.476 1.00 35.27 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? -37.185 15.607 -17.625 1.00 34.40 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? -37.468 16.747 -18.005 1.00 35.33 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? -37.049 14.356 -19.758 1.00 35.21 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? -38.195 13.560 -19.424 1.00 34.93 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? -36.150 13.597 -20.734 1.00 35.69 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? -37.670 15.075 -16.527 1.00 33.09 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? -38.670 15.743 -15.710 1.00 33.21 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? -38.724 15.250 -14.261 1.00 32.14 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? -38.193 14.227 -13.974 1.00 32.42 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? -40.038 15.714 -16.421 1.00 34.38 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? -40.733 14.373 -16.353 1.00 34.43 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? -41.279 14.043 -15.372 1.00 35.63 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? -40.747 13.653 -17.417 1.00 36.49 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? -39.352 15.989 -13.364 1.00 31.43 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? -39.396 15.673 -11.936 1.00 31.56 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? -40.255 14.472 -11.543 1.00 32.13 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? -40.284 14.118 -10.367 1.00 31.20 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? -39.867 16.886 -11.097 1.00 31.81 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? -38.921 18.066 -11.287 1.00 31.77 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? -41.312 17.269 -11.432 1.00 31.52 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? -40.952 13.850 -12.495 1.00 33.43 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? -41.720 12.632 -12.193 1.00 34.43 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? -40.815 11.399 -12.157 1.00 35.14 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? -41.238 10.338 -11.709 1.00 35.72 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? -42.876 12.374 -13.192 1.00 34.63 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? -42.354 11.997 -14.476 1.00 35.39 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? -43.761 13.608 -13.332 1.00 34.62 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? -39.580 11.539 -12.635 1.00 35.41 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? -38.618 10.444 -12.610 1.00 36.67 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? -38.371 9.947 -11.182 1.00 35.42 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? -38.381 10.728 -10.227 1.00 34.28 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? -37.301 10.882 -13.255 1.00 38.31 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? -36.224 10.062 -12.837 1.00 40.65 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? -38.162 8.639 -11.048 1.00 36.02 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? -37.864 8.029 -9.746 1.00 36.67 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? -36.621 8.627 -9.089 1.00 33.07 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? -36.550 8.736 -7.868 1.00 31.95 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? -37.706 6.506 -9.880 1.00 40.04 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? -39.026 5.764 -9.734 1.00 43.68 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? -39.834 6.082 -8.858 1.00 47.45 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? -39.247 4.760 -10.581 1.00 45.83 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? -35.652 9.019 -9.909 1.00 32.02 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? -34.441 9.675 -9.417 1.00 31.24 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? -34.818 10.904 -8.583 1.00 29.91 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? -34.239 11.150 -7.523 1.00 27.97 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? -33.498 10.095 -10.569 1.00 32.23 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? -32.169 10.600 -10.021 1.00 32.65 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? -33.247 8.930 -11.522 1.00 33.14 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? -35.811 11.658 -9.056 1.00 28.67 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? -36.240 12.885 -8.380 1.00 28.10 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? -37.235 12.620 -7.243 1.00 27.88 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? -37.130 13.232 -6.177 1.00 27.29 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? -36.849 13.901 -9.380 1.00 27.91 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? -37.231 15.188 -8.670 1.00 27.99 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? -35.862 14.210 -10.500 1.00 27.74 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? -38.198 11.725 -7.460 1.00 28.46 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? -39.238 11.471 -6.451 1.00 29.42 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? -38.770 10.563 -5.314 1.00 30.53 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? -39.250 10.702 -4.184 1.00 31.21 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? -40.510 10.844 -7.065 1.00 29.29 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? -40.182 9.600 -7.697 1.00 28.96 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? -41.142 11.785 -8.085 1.00 29.16 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? -37.858 9.675 -5.626 0.50 24.37 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? -37.327 8.729 -4.629 0.50 24.38 ? 235 SER A CA 1 ATOM 1818 C C A SER A 1 235 ? -35.946 8.957 -3.855 0.50 27.34 ? 235 SER A C 1 ATOM 1819 C C B SER A 1 235 ? -35.964 8.236 -4.623 0.50 28.11 ? 235 SER A C 1 ATOM 1820 O O A SER A 1 235 ? -35.673 8.356 -2.844 0.50 31.24 ? 235 SER A O 1 ATOM 1821 O O B SER A 1 235 ? -35.655 7.001 -4.536 0.50 25.03 ? 235 SER A O 1 ATOM 1822 C CB . SER A 1 235 ? -38.034 7.368 -4.920 0.50 23.25 ? 235 SER A CB 1 ATOM 1823 O OG . SER A 1 235 ? -39.336 7.542 -5.437 0.50 25.59 ? 235 SER A OG 1 ATOM 1824 N N . ASN A 1 236 ? -35.112 9.145 -4.834 1.00 28.27 ? 236 ASN A N 1 ATOM 1825 C CA . ASN A 1 236 ? -33.669 8.871 -4.793 1.00 26.59 ? 236 ASN A CA 1 ATOM 1826 C C . ASN A 1 236 ? -32.887 10.058 -4.225 1.00 25.11 ? 236 ASN A C 1 ATOM 1827 O O . ASN A 1 236 ? -32.426 9.999 -3.086 1.00 24.15 ? 236 ASN A O 1 ATOM 1828 C CB . ASN A 1 236 ? -33.148 8.448 -6.177 1.00 26.46 ? 236 ASN A CB 1 ATOM 1829 C CG . ASN A 1 236 ? -31.764 7.813 -6.125 1.00 26.74 ? 236 ASN A CG 1 ATOM 1830 O OD1 . ASN A 1 236 ? -31.064 7.893 -5.120 1.00 25.40 ? 236 ASN A OD1 1 ATOM 1831 N ND2 . ASN A 1 236 ? -31.367 7.179 -7.223 1.00 26.77 ? 236 ASN A ND2 1 ATOM 1832 N N . ILE A 1 237 ? -32.766 11.138 -4.993 1.00 23.98 ? 237 ILE A N 1 ATOM 1833 C CA . ILE A 1 237 ? -31.993 12.301 -4.556 1.00 22.62 ? 237 ILE A CA 1 ATOM 1834 C C . ILE A 1 237 ? -32.586 12.873 -3.264 1.00 22.78 ? 237 ILE A C 1 ATOM 1835 O O . ILE A 1 237 ? -33.807 12.993 -3.126 1.00 22.33 ? 237 ILE A O 1 ATOM 1836 C CB . ILE A 1 237 ? -31.884 13.381 -5.664 1.00 22.23 ? 237 ILE A CB 1 ATOM 1837 C CG1 . ILE A 1 237 ? -30.778 14.389 -5.332 1.00 21.82 ? 237 ILE A CG1 1 ATOM 1838 C CG2 . ILE A 1 237 ? -33.211 14.103 -5.880 1.00 22.30 ? 237 ILE A CG2 1 ATOM 1839 C CD1 . ILE A 1 237 ? -30.290 15.174 -6.530 1.00 21.67 ? 237 ILE A CD1 1 ATOM 1840 N N . GLN A 1 238 ? -31.715 13.186 -2.306 1.00 22.32 ? 238 GLN A N 1 ATOM 1841 C CA . GLN A 1 238 ? -32.147 13.662 -0.991 1.00 22.99 ? 238 GLN A CA 1 ATOM 1842 C C . GLN A 1 238 ? -31.682 15.068 -0.674 1.00 22.74 ? 238 GLN A C 1 ATOM 1843 O O . GLN A 1 238 ? -32.082 15.632 0.341 1.00 23.32 ? 238 GLN A O 1 ATOM 1844 C CB . GLN A 1 238 ? -31.637 12.717 0.101 1.00 23.54 ? 238 GLN A CB 1 ATOM 1845 C CG . GLN A 1 238 ? -32.035 11.266 -0.110 1.00 24.35 ? 238 GLN A CG 1 ATOM 1846 C CD . GLN A 1 238 ? -33.525 11.035 0.074 1.00 25.48 ? 238 GLN A CD 1 ATOM 1847 O OE1 . GLN A 1 238 ? -34.105 11.458 1.074 1.00 26.90 ? 238 GLN A OE1 1 ATOM 1848 N NE2 . GLN A 1 238 ? -34.148 10.354 -0.879 1.00 25.33 ? 238 GLN A NE2 1 ATOM 1849 N N . LEU A 1 239 ? -30.825 15.631 -1.516 1.00 23.07 ? 239 LEU A N 1 ATOM 1850 C CA . LEU A 1 239 ? -30.255 16.948 -1.261 1.00 23.12 ? 239 LEU A CA 1 ATOM 1851 C C . LEU A 1 239 ? -29.929 17.621 -2.588 1.00 23.48 ? 239 LEU A C 1 ATOM 1852 O O . LEU A 1 239 ? -29.461 16.969 -3.527 1.00 23.88 ? 239 LEU A O 1 ATOM 1853 C CB . LEU A 1 239 ? -28.975 16.835 -0.424 1.00 22.82 ? 239 LEU A CB 1 ATOM 1854 C CG . LEU A 1 239 ? -28.973 16.128 0.938 1.00 22.58 ? 239 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 239 ? -27.541 15.822 1.354 1.00 22.51 ? 239 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 239 ? -29.651 16.968 2.011 1.00 22.53 ? 239 LEU A CD2 1 ATOM 1857 N N . LEU A 1 240 ? -30.175 18.924 -2.658 1.00 23.77 ? 240 LEU A N 1 ATOM 1858 C CA . LEU A 1 240 ? -29.906 19.688 -3.865 1.00 25.20 ? 240 LEU A CA 1 ATOM 1859 C C . LEU A 1 240 ? -28.802 20.703 -3.624 1.00 24.77 ? 240 LEU A C 1 ATOM 1860 O O . LEU A 1 240 ? -28.863 21.495 -2.681 1.00 25.20 ? 240 LEU A O 1 ATOM 1861 C CB . LEU A 1 240 ? -31.171 20.402 -4.357 1.00 25.54 ? 240 LEU A CB 1 ATOM 1862 C CG . LEU A 1 240 ? -32.389 19.517 -4.654 1.00 26.14 ? 240 LEU A CG 1 ATOM 1863 C CD1 . LEU A 1 240 ? -33.575 20.382 -5.054 1.00 26.39 ? 240 LEU A CD1 1 ATOM 1864 C CD2 . LEU A 1 240 ? -32.095 18.492 -5.736 1.00 26.32 ? 240 LEU A CD2 1 ATOM 1865 N N . LEU A 1 241 ? -27.782 20.643 -4.473 1.00 25.51 ? 241 LEU A N 1 ATOM 1866 C CA . LEU A 1 241 ? -26.774 21.681 -4.559 1.00 25.78 ? 241 LEU A CA 1 ATOM 1867 C C . LEU A 1 241 ? -27.443 22.938 -5.104 1.00 26.53 ? 241 LEU A C 1 ATOM 1868 O O . LEU A 1 241 ? -28.071 22.902 -6.164 1.00 24.77 ? 241 LEU A O 1 ATOM 1869 C CB . LEU A 1 241 ? -25.653 21.243 -5.501 1.00 26.24 ? 241 LEU A CB 1 ATOM 1870 C CG . LEU A 1 241 ? -24.442 22.161 -5.648 1.00 26.35 ? 241 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 241 ? -23.764 22.373 -4.303 1.00 26.21 ? 241 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 241 ? -23.470 21.574 -6.661 1.00 26.38 ? 241 LEU A CD2 1 ATOM 1873 N N . ASN A 1 242 ? -27.320 24.038 -4.370 1.00 27.93 ? 242 ASN A N 1 ATOM 1874 C CA . ASN A 1 242 ? -27.923 25.298 -4.783 1.00 29.37 ? 242 ASN A CA 1 ATOM 1875 C C . ASN A 1 242 ? -27.326 25.738 -6.110 1.00 30.79 ? 242 ASN A C 1 ATOM 1876 O O . ASN A 1 242 ? -26.106 25.735 -6.275 1.00 29.16 ? 242 ASN A O 1 ATOM 1877 C CB . ASN A 1 242 ? -27.692 26.380 -3.728 1.00 30.07 ? 242 ASN A CB 1 ATOM 1878 C CG . ASN A 1 242 ? -28.673 27.531 -3.845 1.00 30.18 ? 242 ASN A CG 1 ATOM 1879 O OD1 . ASN A 1 242 ? -28.621 28.306 -4.800 1.00 30.75 ? 242 ASN A OD1 1 ATOM 1880 N ND2 . ASN A 1 242 ? -29.574 27.648 -2.874 1.00 30.13 ? 242 ASN A ND2 1 ATOM 1881 N N . THR A 1 243 ? -28.187 26.118 -7.050 1.00 32.10 ? 243 THR A N 1 ATOM 1882 C CA . THR A 1 243 ? -27.737 26.538 -8.375 1.00 34.64 ? 243 THR A CA 1 ATOM 1883 C C . THR A 1 243 ? -26.800 27.750 -8.314 1.00 36.50 ? 243 THR A C 1 ATOM 1884 O O . THR A 1 243 ? -26.002 27.969 -9.225 1.00 36.55 ? 243 THR A O 1 ATOM 1885 C CB . THR A 1 243 ? -28.929 26.829 -9.309 1.00 35.53 ? 243 THR A CB 1 ATOM 1886 O OG1 . THR A 1 243 ? -28.476 26.861 -10.665 1.00 36.91 ? 243 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 243 ? -29.600 28.148 -8.954 1.00 35.54 ? 243 THR A CG2 1 ATOM 1888 N N . LYS A 1 244 ? -26.886 28.524 -7.236 1.00 39.58 ? 244 LYS A N 1 ATOM 1889 C CA . LYS A 1 244 ? -25.955 29.630 -7.015 1.00 42.77 ? 244 LYS A CA 1 ATOM 1890 C C . LYS A 1 244 ? -24.499 29.151 -6.865 1.00 44.51 ? 244 LYS A C 1 ATOM 1891 O O . LYS A 1 244 ? -23.565 29.919 -7.107 1.00 43.97 ? 244 LYS A O 1 ATOM 1892 C CB . LYS A 1 244 ? -26.406 30.473 -5.815 1.00 44.40 ? 244 LYS A CB 1 ATOM 1893 C CG . LYS A 1 244 ? -27.724 31.191 -6.092 1.00 46.85 ? 244 LYS A CG 1 ATOM 1894 C CD . LYS A 1 244 ? -28.315 31.885 -4.876 1.00 48.93 ? 244 LYS A CD 1 ATOM 1895 C CE . LYS A 1 244 ? -27.640 33.219 -4.594 1.00 50.87 ? 244 LYS A CE 1 ATOM 1896 N NZ . LYS A 1 244 ? -28.343 33.959 -3.508 1.00 51.63 ? 244 LYS A NZ 1 ATOM 1897 N N . ASN A 1 245 ? -24.317 27.883 -6.490 1.00 45.68 ? 245 ASN A N 1 ATOM 1898 C CA . ASN A 1 245 ? -22.988 27.264 -6.411 1.00 46.54 ? 245 ASN A CA 1 ATOM 1899 C C . ASN A 1 245 ? -22.641 26.366 -7.612 1.00 47.23 ? 245 ASN A C 1 ATOM 1900 O O . ASN A 1 245 ? -21.679 25.595 -7.554 1.00 46.85 ? 245 ASN A O 1 ATOM 1901 C CB . ASN A 1 245 ? -22.874 26.457 -5.112 1.00 47.10 ? 245 ASN A CB 1 ATOM 1902 C CG . ASN A 1 245 ? -23.046 27.317 -3.873 1.00 47.37 ? 245 ASN A CG 1 ATOM 1903 O OD1 . ASN A 1 245 ? -22.472 28.400 -3.774 1.00 49.01 ? 245 ASN A OD1 1 ATOM 1904 N ND2 . ASN A 1 245 ? -23.831 26.835 -2.918 1.00 47.48 ? 245 ASN A ND2 1 ATOM 1905 N N . ILE A 1 246 ? -23.408 26.473 -8.697 1.00 47.19 ? 246 ILE A N 1 ATOM 1906 C CA . ILE A 1 246 ? -23.184 25.656 -9.893 1.00 48.24 ? 246 ILE A CA 1 ATOM 1907 C C . ILE A 1 246 ? -22.759 26.548 -11.062 1.00 49.67 ? 246 ILE A C 1 ATOM 1908 O O . ILE A 1 246 ? -21.688 26.372 -11.645 1.00 50.17 ? 246 ILE A O 1 ATOM 1909 C CB . ILE A 1 246 ? -24.444 24.837 -10.261 1.00 47.36 ? 246 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 246 ? -24.912 24.023 -9.045 1.00 46.64 ? 246 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 246 ? -24.164 23.912 -11.443 1.00 47.40 ? 246 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 246 ? -26.178 23.218 -9.257 1.00 46.12 ? 246 ILE A CD1 1 ATOM 1913 O OXT . ILE A 1 246 ? -23.471 27.475 -11.451 1.00 50.75 ? 246 ILE A OXT 1 HETATM 1914 C C1 . NAG B 2 . ? -41.463 12.497 -17.898 1.00 51.89 ? 301 NAG A C1 1 HETATM 1915 C C2 . NAG B 2 . ? -41.842 12.187 -19.335 1.00 52.79 ? 301 NAG A C2 1 HETATM 1916 C C3 . NAG B 2 . ? -42.313 10.732 -19.456 1.00 52.24 ? 301 NAG A C3 1 HETATM 1917 C C4 . NAG B 2 . ? -41.515 9.772 -18.570 1.00 51.91 ? 301 NAG A C4 1 HETATM 1918 C C5 . NAG B 2 . ? -41.373 10.332 -17.158 1.00 51.66 ? 301 NAG A C5 1 HETATM 1919 C C6 . NAG B 2 . ? -40.635 9.422 -16.181 1.00 51.21 ? 301 NAG A C6 1 HETATM 1920 C C7 . NAG B 2 . ? -42.605 14.435 -19.978 1.00 53.99 ? 301 NAG A C7 1 HETATM 1921 C C8 . NAG B 2 . ? -43.778 15.345 -20.202 1.00 53.90 ? 301 NAG A C8 1 HETATM 1922 N N2 . NAG B 2 . ? -42.877 13.170 -19.616 1.00 53.64 ? 301 NAG A N2 1 HETATM 1923 O O3 . NAG B 2 . ? -42.196 10.299 -20.790 1.00 52.44 ? 301 NAG A O3 1 HETATM 1924 O O4 . NAG B 2 . ? -42.167 8.522 -18.536 1.00 52.87 ? 301 NAG A O4 1 HETATM 1925 O O5 . NAG B 2 . ? -40.648 11.525 -17.299 1.00 52.20 ? 301 NAG A O5 1 HETATM 1926 O O6 . NAG B 2 . ? -39.369 9.083 -16.697 1.00 51.20 ? 301 NAG A O6 1 HETATM 1927 O O7 . NAG B 2 . ? -41.464 14.877 -20.142 1.00 54.96 ? 301 NAG A O7 1 HETATM 1928 C C1 . GOL C 3 . ? -18.132 -3.866 8.909 1.00 34.84 ? 302 GOL A C1 1 HETATM 1929 O O1 . GOL C 3 . ? -17.160 -4.909 9.056 1.00 35.54 ? 302 GOL A O1 1 HETATM 1930 C C2 . GOL C 3 . ? -18.678 -3.465 10.274 1.00 34.35 ? 302 GOL A C2 1 HETATM 1931 O O2 . GOL C 3 . ? -17.585 -3.209 11.180 1.00 32.65 ? 302 GOL A O2 1 HETATM 1932 C C3 . GOL C 3 . ? -19.592 -4.590 10.760 1.00 34.10 ? 302 GOL A C3 1 HETATM 1933 O O3 . GOL C 3 . ? -20.132 -4.312 12.057 1.00 33.89 ? 302 GOL A O3 1 HETATM 1934 C C1 . GOL D 3 . ? -37.046 12.973 -0.532 1.00 39.36 ? 303 GOL A C1 1 HETATM 1935 O O1 . GOL D 3 . ? -37.533 12.391 0.659 1.00 41.72 ? 303 GOL A O1 1 HETATM 1936 C C2 . GOL D 3 . ? -37.752 12.279 -1.651 1.00 38.49 ? 303 GOL A C2 1 HETATM 1937 O O2 . GOL D 3 . ? -38.853 13.030 -2.149 1.00 40.66 ? 303 GOL A O2 1 HETATM 1938 C C3 . GOL D 3 . ? -36.892 11.436 -2.599 1.00 37.28 ? 303 GOL A C3 1 HETATM 1939 O O3 . GOL D 3 . ? -36.385 12.027 -3.797 1.00 34.19 ? 303 GOL A O3 1 HETATM 1940 N N3 . CYT E 4 . ? -17.296 14.739 -3.192 1.00 39.48 ? 304 CYT A N3 1 HETATM 1941 C C4 . CYT E 4 . ? -17.330 14.997 -1.878 1.00 24.49 ? 304 CYT A C4 1 HETATM 1942 N N1 . CYT E 4 . ? -15.042 15.425 -3.296 1.00 36.37 ? 304 CYT A N1 1 HETATM 1943 C C2 . CYT E 4 . ? -16.163 14.952 -3.888 1.00 39.78 ? 304 CYT A C2 1 HETATM 1944 O O2 . CYT E 4 . ? -16.132 14.714 -5.110 1.00 40.79 ? 304 CYT A O2 1 HETATM 1945 N N4 . CYT E 4 . ? -18.434 14.801 -1.116 1.00 24.91 ? 304 CYT A N4 1 HETATM 1946 C C5 . CYT E 4 . ? -16.187 15.469 -1.263 1.00 29.49 ? 304 CYT A C5 1 HETATM 1947 C C6 . CYT E 4 . ? -15.034 15.689 -1.987 1.00 28.99 ? 304 CYT A C6 1 HETATM 1948 O O . HOH F 5 . ? -3.435 26.174 4.796 1.00 42.23 ? 401 HOH A O 1 HETATM 1949 O O . HOH F 5 . ? -43.109 11.550 -22.624 1.00 51.92 ? 402 HOH A O 1 HETATM 1950 O O . HOH F 5 . ? -20.672 18.400 -7.057 1.00 34.48 ? 403 HOH A O 1 HETATM 1951 O O . HOH F 5 . ? -20.576 19.908 13.541 1.00 26.99 ? 404 HOH A O 1 HETATM 1952 O O . HOH F 5 . ? -14.826 26.320 2.647 1.00 28.36 ? 405 HOH A O 1 HETATM 1953 O O . HOH F 5 . ? -0.152 22.764 5.470 1.00 22.41 ? 406 HOH A O 1 HETATM 1954 O O . HOH F 5 . ? -5.136 -3.262 -6.864 1.00 40.31 ? 407 HOH A O 1 HETATM 1955 O O . HOH F 5 . ? -18.819 -4.971 14.124 1.00 32.59 ? 408 HOH A O 1 HETATM 1956 O O . HOH F 5 . ? -22.317 6.678 16.801 1.00 31.68 ? 409 HOH A O 1 HETATM 1957 O O . HOH F 5 . ? -1.721 4.800 7.235 1.00 32.25 ? 410 HOH A O 1 HETATM 1958 O O . HOH F 5 . ? -25.543 24.873 -1.962 1.00 22.86 ? 411 HOH A O 1 HETATM 1959 O O . HOH F 5 . ? -26.393 27.440 -12.047 1.00 42.99 ? 412 HOH A O 1 HETATM 1960 O O . HOH F 5 . ? -17.548 0.008 -10.667 1.00 41.20 ? 413 HOH A O 1 HETATM 1961 O O . HOH F 5 . ? -43.356 25.720 -13.327 1.00 29.75 ? 414 HOH A O 1 HETATM 1962 O O . HOH F 5 . ? -42.500 27.399 -9.431 1.00 35.42 ? 415 HOH A O 1 HETATM 1963 O O . HOH F 5 . ? -33.050 0.853 13.997 1.00 53.15 ? 416 HOH A O 1 HETATM 1964 O O . HOH F 5 . ? -5.101 22.576 12.054 1.00 21.57 ? 417 HOH A O 1 HETATM 1965 O O . HOH F 5 . ? -1.331 13.376 14.989 1.00 39.67 ? 418 HOH A O 1 HETATM 1966 O O . HOH F 5 . ? -25.381 5.221 13.677 1.00 25.93 ? 419 HOH A O 1 HETATM 1967 O O . HOH F 5 . ? -36.892 8.235 -0.525 1.00 42.99 ? 420 HOH A O 1 HETATM 1968 O O . HOH F 5 . ? -15.055 3.250 -5.296 1.00 23.89 ? 421 HOH A O 1 HETATM 1969 O O . HOH F 5 . ? -4.556 21.333 -5.908 1.00 40.74 ? 422 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? -13.912 11.980 16.800 1.00 45.65 ? 423 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? -36.566 8.133 -14.603 1.00 50.72 ? 424 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? -32.204 31.055 4.330 1.00 40.13 ? 425 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? -23.109 -5.983 -2.791 1.00 42.88 ? 426 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? -43.426 8.509 -22.304 1.00 48.15 ? 427 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? -11.492 -0.625 -0.825 1.00 19.99 ? 428 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? -21.272 30.400 11.438 1.00 44.86 ? 429 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? -17.158 4.484 20.468 1.00 44.81 ? 430 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? -25.372 8.010 13.865 1.00 32.17 ? 431 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? -9.451 -1.371 10.823 1.00 49.88 ? 432 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? -23.970 9.308 -16.141 1.00 52.75 ? 433 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? -20.692 26.394 -1.663 1.00 54.68 ? 434 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? -32.595 26.474 1.312 1.00 33.47 ? 435 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? 2.237 7.805 0.290 1.00 27.92 ? 436 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? -28.361 15.442 12.659 1.00 27.50 ? 437 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? -27.045 16.700 -19.277 1.00 43.35 ? 438 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? -39.273 14.861 -5.437 1.00 34.33 ? 439 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? 4.720 20.253 17.922 1.00 40.16 ? 440 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? -36.312 27.437 -15.890 1.00 30.70 ? 441 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? -36.202 17.896 -20.652 1.00 36.29 ? 442 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? -23.052 1.531 14.383 1.00 26.78 ? 443 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? -26.873 24.003 3.433 1.00 23.19 ? 444 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? -5.952 3.096 0.818 1.00 31.28 ? 445 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? -9.398 -5.639 15.537 1.00 30.30 ? 446 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? -24.708 13.438 -15.962 1.00 42.37 ? 447 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? 3.384 11.840 0.530 1.00 22.73 ? 448 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? -31.350 6.892 6.416 1.00 25.12 ? 449 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? -10.933 13.410 16.040 1.00 46.90 ? 450 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? 0.107 9.127 -4.823 1.00 27.04 ? 451 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? -28.766 -1.692 -8.420 1.00 40.74 ? 452 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? -3.585 13.975 -8.118 1.00 28.86 ? 453 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? -3.836 11.028 7.324 1.00 24.07 ? 454 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? -20.482 24.038 -10.983 1.00 46.20 ? 455 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? -31.867 3.050 5.716 1.00 41.76 ? 456 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? -24.641 18.673 13.557 1.00 43.72 ? 457 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? -23.950 -3.177 -6.966 1.00 34.45 ? 458 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? -6.739 24.353 11.171 1.00 31.33 ? 459 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? -38.953 15.988 2.248 1.00 35.84 ? 460 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? -3.977 24.657 -0.119 1.00 27.79 ? 461 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? -26.305 14.111 -18.043 1.00 32.79 ? 462 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? -2.515 22.775 13.335 1.00 34.98 ? 463 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? -33.762 5.031 -4.449 1.00 45.93 ? 464 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? -22.811 0.615 -5.579 1.00 27.50 ? 465 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? 1.480 16.561 2.143 1.00 23.06 ? 466 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? -30.041 23.687 -18.441 1.00 42.73 ? 467 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? -17.833 13.652 -10.621 1.00 48.25 ? 468 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? -8.680 11.871 16.259 1.00 32.31 ? 469 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? -8.368 31.298 10.932 1.00 35.56 ? 470 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? -3.162 1.977 4.697 1.00 29.01 ? 471 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? -31.302 18.071 4.804 1.00 42.65 ? 472 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? -5.537 23.751 1.955 1.00 22.63 ? 473 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? -41.240 21.437 -2.608 1.00 32.26 ? 474 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? -32.482 27.908 -6.637 1.00 33.69 ? 475 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? 0.017 11.388 -3.087 1.00 28.34 ? 476 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? -41.208 24.875 -21.494 1.00 40.02 ? 477 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? -17.338 24.010 12.284 1.00 39.18 ? 478 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? -17.294 -8.164 -3.849 1.00 32.17 ? 479 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? -21.431 -7.225 -0.944 1.00 38.01 ? 480 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? -43.581 6.449 -17.337 1.00 44.42 ? 481 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? -7.786 32.809 15.808 1.00 33.49 ? 482 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? -3.915 18.829 19.172 1.00 40.62 ? 483 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? -22.777 -7.188 3.008 1.00 29.03 ? 484 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? 2.640 7.322 8.713 1.00 40.73 ? 485 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? -26.251 -6.186 4.230 1.00 40.94 ? 486 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? -41.291 22.691 -5.445 1.00 34.20 ? 487 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? -24.912 11.007 14.930 1.00 24.94 ? 488 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? -15.271 15.589 -7.634 1.00 32.80 ? 489 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? -34.521 20.440 -23.674 1.00 50.76 ? 490 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? -40.897 15.334 -7.906 1.00 39.13 ? 491 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? -33.416 12.862 6.657 1.00 36.29 ? 492 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? -31.703 20.237 8.462 1.00 36.71 ? 493 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? 1.210 4.033 0.029 1.00 35.80 ? 494 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? -21.889 13.998 -6.118 1.00 45.89 ? 495 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? -30.412 -3.216 14.087 1.00 55.30 ? 496 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? -22.259 25.802 -14.354 1.00 45.34 ? 497 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? -10.998 24.880 15.198 1.00 33.52 ? 498 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? -2.723 3.728 9.726 1.00 41.74 ? 499 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? -23.264 16.890 -12.696 1.00 26.50 ? 500 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? -47.617 23.198 -14.227 1.00 42.14 ? 501 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? -37.810 11.860 -16.715 1.00 34.78 ? 502 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? -4.791 4.448 -2.704 1.00 26.92 ? 503 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? -8.438 7.469 17.920 1.00 33.31 ? 504 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? -28.478 -1.060 14.623 1.00 42.91 ? 505 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? -2.533 11.529 12.356 1.00 29.01 ? 506 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? -20.754 -3.629 -8.525 1.00 32.93 ? 507 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? -16.618 29.354 6.146 1.00 33.51 ? 508 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? -1.844 19.301 -5.013 1.00 43.04 ? 509 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? -8.919 10.553 -12.689 1.00 44.84 ? 510 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? -17.127 19.294 18.449 1.00 49.86 ? 511 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? -22.776 0.213 16.707 1.00 35.58 ? 512 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? -12.851 22.024 15.008 1.00 34.76 ? 513 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? -25.895 13.578 15.862 1.00 41.97 ? 514 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? -32.865 10.456 5.555 1.00 29.25 ? 515 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? -4.833 1.057 -11.895 1.00 38.64 ? 516 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? -31.405 29.790 -2.297 1.00 28.42 ? 517 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? -4.261 23.535 4.241 1.00 33.17 ? 518 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? -43.598 24.123 -20.276 1.00 41.09 ? 519 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? -20.840 22.066 -9.277 1.00 37.82 ? 520 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? -24.835 -5.199 15.842 1.00 44.20 ? 521 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? -31.978 2.906 9.822 1.00 34.89 ? 522 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? -20.893 29.163 -0.930 1.00 45.05 ? 523 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? -0.052 23.585 -4.796 1.00 38.93 ? 524 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? -22.541 -2.002 -12.340 1.00 38.72 ? 525 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? -16.321 23.558 -0.937 1.00 35.91 ? 526 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? -31.683 12.483 12.552 1.00 42.79 ? 527 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? -3.047 8.738 5.600 1.00 23.64 ? 528 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? -8.788 30.200 0.544 1.00 39.07 ? 529 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? -33.698 6.430 -8.786 1.00 31.01 ? 530 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? -2.923 22.854 20.644 1.00 45.11 ? 531 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? -9.268 2.047 21.040 1.00 47.19 ? 532 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? -11.543 -4.140 -8.444 1.00 41.59 ? 533 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? -24.971 20.976 11.619 1.00 35.64 ? 534 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? -7.046 0.498 14.644 1.00 34.87 ? 535 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? -1.778 7.623 -11.431 1.00 39.26 ? 536 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? -40.079 24.814 1.278 1.00 36.98 ? 537 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? -38.714 6.963 -13.396 1.00 33.02 ? 538 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? -16.659 1.779 16.311 1.00 24.86 ? 539 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? -13.656 18.780 -1.605 1.00 47.96 ? 540 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? 3.012 9.687 2.227 1.00 22.16 ? 541 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? -23.653 33.550 4.215 1.00 46.64 ? 542 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? -27.368 20.817 -16.090 1.00 36.90 ? 543 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? -38.279 22.998 -21.569 1.00 43.19 ? 544 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? -15.913 -5.835 -6.146 1.00 27.17 ? 545 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? -23.030 4.477 15.042 1.00 24.57 ? 546 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? -10.473 1.988 2.381 1.00 31.48 ? 547 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? -25.530 -0.127 -12.496 1.00 33.99 ? 548 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? -27.109 -4.015 -6.223 1.00 43.38 ? 549 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? -35.899 27.907 -5.046 1.00 45.07 ? 550 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? -23.094 17.342 18.421 1.00 43.00 ? 551 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? -14.322 -2.977 19.541 1.00 47.59 ? 552 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? -29.892 -0.369 -4.042 1.00 47.29 ? 553 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? 3.638 7.691 -4.233 1.00 30.11 ? 554 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? 1.244 10.407 10.625 1.00 35.12 ? 555 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? -29.807 23.003 -23.366 1.00 48.50 ? 556 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? -28.697 -4.829 -19.052 1.00 55.81 ? 557 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? -32.739 2.110 3.075 1.00 47.81 ? 558 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? -13.213 7.756 -13.369 1.00 40.67 ? 559 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? 3.978 21.206 15.015 1.00 37.48 ? 560 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? -33.764 17.173 6.329 1.00 44.94 ? 561 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? -29.773 -4.354 10.246 1.00 36.15 ? 562 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? -6.270 6.259 -11.736 1.00 41.88 ? 563 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? -14.114 4.783 21.024 1.00 44.20 ? 564 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? -16.304 8.582 -13.637 1.00 37.14 ? 565 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? -4.609 18.458 -7.150 1.00 35.20 ? 566 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? -6.204 0.203 6.593 1.00 36.41 ? 567 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? -13.115 19.211 -4.273 1.00 46.91 ? 568 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? -3.743 9.109 14.943 1.00 38.39 ? 569 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? -11.550 24.987 -3.728 1.00 34.57 ? 570 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? -0.111 24.414 1.929 1.00 33.18 ? 571 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? -36.538 24.623 6.527 1.00 41.08 ? 572 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? -5.517 26.455 -1.726 1.00 35.71 ? 573 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? -30.143 -2.283 0.665 1.00 39.60 ? 574 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? -10.358 -1.285 13.392 1.00 34.30 ? 575 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? -25.364 -2.972 -11.834 1.00 60.97 ? 576 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? -36.312 3.743 -10.673 1.00 44.58 ? 577 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? -34.338 6.656 -21.375 1.00 44.23 ? 578 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? -7.998 2.437 2.999 1.00 36.92 ? 579 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? -22.945 23.541 11.100 1.00 55.89 ? 580 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? -21.721 16.075 -9.374 1.00 29.74 ? 581 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? -33.675 14.221 2.650 1.00 40.97 ? 582 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? -2.516 16.414 -7.143 1.00 43.20 ? 583 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? -32.776 28.795 -0.214 1.00 41.65 ? 584 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? -25.587 -3.869 -14.464 1.00 45.53 ? 585 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? -0.055 13.364 -5.030 1.00 34.14 ? 586 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? -6.409 17.732 18.538 1.00 44.08 ? 587 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? -32.414 2.267 -10.935 1.00 38.12 ? 588 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? -19.709 24.979 -4.063 1.00 49.42 ? 589 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? -21.966 5.777 21.473 1.00 45.85 ? 590 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? -23.505 12.296 17.191 1.00 45.22 ? 591 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? -13.684 15.300 -10.402 1.00 45.69 ? 592 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? -1.208 3.363 5.110 1.00 39.23 ? 593 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? -43.673 17.384 -14.761 1.00 38.63 ? 594 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? -29.944 5.567 -11.217 1.00 42.94 ? 595 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? -29.818 21.682 10.737 1.00 43.13 ? 596 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? -14.998 24.009 14.625 1.00 48.38 ? 597 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? -31.653 27.330 7.861 1.00 40.99 ? 598 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? -24.631 8.409 -23.066 1.00 40.17 ? 599 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? -18.091 14.766 -7.962 1.00 30.54 ? 600 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? -11.010 32.594 12.288 1.00 50.04 ? 601 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? -14.810 -0.048 20.004 1.00 46.58 ? 602 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? -33.875 7.791 6.323 1.00 47.58 ? 603 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? -0.976 12.338 -7.550 1.00 41.48 ? 604 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? -8.091 2.175 -1.081 1.00 38.59 ? 605 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? -7.927 7.979 -13.034 1.00 40.12 ? 606 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? -36.378 14.993 3.281 1.00 42.78 ? 607 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? -27.126 17.430 13.881 1.00 50.04 ? 608 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? -5.206 6.885 17.004 1.00 41.62 ? 609 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? -26.778 3.800 -24.290 1.00 36.50 ? 610 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? -14.986 13.325 -12.023 1.00 46.81 ? 611 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? -24.980 16.246 -15.331 1.00 38.94 ? 612 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? -23.125 -3.819 -9.787 1.00 34.34 ? 613 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? -15.560 18.311 -7.255 1.00 43.07 ? 614 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? -17.870 -2.191 -12.542 1.00 45.55 ? 615 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? 1.617 14.343 -7.052 1.00 43.28 ? 616 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? -16.315 2.233 19.148 1.00 39.65 ? 617 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? -8.905 11.284 19.200 1.00 40.95 ? 618 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? -23.040 -10.240 3.261 1.00 40.49 ? 619 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? -15.255 22.523 -4.975 1.00 58.11 ? 620 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 GOL 1 302 302 GOL GOL A . D 3 GOL 1 303 303 GOL GOL A . E 4 CYT 1 304 304 CYT CYT A . F 5 HOH 1 401 572 HOH HOH A . F 5 HOH 2 402 539 HOH HOH A . F 5 HOH 3 403 552 HOH HOH A . F 5 HOH 4 404 435 HOH HOH A . F 5 HOH 5 405 421 HOH HOH A . F 5 HOH 6 406 409 HOH HOH A . F 5 HOH 7 407 593 HOH HOH A . F 5 HOH 8 408 467 HOH HOH A . F 5 HOH 9 409 495 HOH HOH A . F 5 HOH 10 410 587 HOH HOH A . F 5 HOH 11 411 427 HOH HOH A . F 5 HOH 12 412 530 HOH HOH A . F 5 HOH 13 413 543 HOH HOH A . F 5 HOH 14 414 431 HOH HOH A . F 5 HOH 15 415 512 HOH HOH A . F 5 HOH 16 416 609 HOH HOH A . F 5 HOH 17 417 418 HOH HOH A . F 5 HOH 18 418 496 HOH HOH A . F 5 HOH 19 419 459 HOH HOH A . F 5 HOH 20 420 494 HOH HOH A . F 5 HOH 21 421 413 HOH HOH A . F 5 HOH 22 422 547 HOH HOH A . F 5 HOH 23 423 477 HOH HOH A . F 5 HOH 24 424 549 HOH HOH A . F 5 HOH 25 425 591 HOH HOH A . F 5 HOH 26 426 505 HOH HOH A . F 5 HOH 27 427 504 HOH HOH A . F 5 HOH 28 428 429 HOH HOH A . F 5 HOH 29 429 534 HOH HOH A . F 5 HOH 30 430 500 HOH HOH A . F 5 HOH 31 431 452 HOH HOH A . F 5 HOH 32 432 619 HOH HOH A . F 5 HOH 33 433 548 HOH HOH A . F 5 HOH 34 434 603 HOH HOH A . F 5 HOH 35 435 450 HOH HOH A . F 5 HOH 36 436 422 HOH HOH A . F 5 HOH 37 437 451 HOH HOH A . F 5 HOH 38 438 596 HOH HOH A . F 5 HOH 39 439 448 HOH HOH A . F 5 HOH 40 440 615 HOH HOH A . F 5 HOH 41 441 469 HOH HOH A . F 5 HOH 42 442 497 HOH HOH A . F 5 HOH 43 443 407 HOH HOH A . F 5 HOH 44 444 424 HOH HOH A . F 5 HOH 45 445 476 HOH HOH A . F 5 HOH 46 446 510 HOH HOH A . F 5 HOH 47 447 518 HOH HOH A . F 5 HOH 48 448 420 HOH HOH A . F 5 HOH 49 449 551 HOH HOH A . F 5 HOH 50 450 553 HOH HOH A . F 5 HOH 51 451 428 HOH HOH A . F 5 HOH 52 452 444 HOH HOH A . F 5 HOH 53 453 440 HOH HOH A . F 5 HOH 54 454 403 HOH HOH A . F 5 HOH 55 455 571 HOH HOH A . F 5 HOH 56 456 511 HOH HOH A . F 5 HOH 57 457 466 HOH HOH A . F 5 HOH 58 458 425 HOH HOH A . F 5 HOH 59 459 437 HOH HOH A . F 5 HOH 60 460 524 HOH HOH A . F 5 HOH 61 461 555 HOH HOH A . F 5 HOH 62 462 527 HOH HOH A . F 5 HOH 63 463 461 HOH HOH A . F 5 HOH 64 464 564 HOH HOH A . F 5 HOH 65 465 417 HOH HOH A . F 5 HOH 66 466 408 HOH HOH A . F 5 HOH 67 467 576 HOH HOH A . F 5 HOH 68 468 620 HOH HOH A . F 5 HOH 69 469 405 HOH HOH A . F 5 HOH 70 470 573 HOH HOH A . F 5 HOH 71 471 556 HOH HOH A . F 5 HOH 72 472 514 HOH HOH A . F 5 HOH 73 473 401 HOH HOH A . F 5 HOH 74 474 426 HOH HOH A . F 5 HOH 75 475 531 HOH HOH A . F 5 HOH 76 476 436 HOH HOH A . F 5 HOH 77 477 561 HOH HOH A . F 5 HOH 78 478 509 HOH HOH A . F 5 HOH 79 479 557 HOH HOH A . F 5 HOH 80 480 449 HOH HOH A . F 5 HOH 81 481 588 HOH HOH A . F 5 HOH 82 482 560 HOH HOH A . F 5 HOH 83 483 488 HOH HOH A . F 5 HOH 84 484 462 HOH HOH A . F 5 HOH 85 485 474 HOH HOH A . F 5 HOH 86 486 581 HOH HOH A . F 5 HOH 87 487 416 HOH HOH A . F 5 HOH 88 488 411 HOH HOH A . F 5 HOH 89 489 567 HOH HOH A . F 5 HOH 90 490 597 HOH HOH A . F 5 HOH 91 491 580 HOH HOH A . F 5 HOH 92 492 481 HOH HOH A . F 5 HOH 93 493 526 HOH HOH A . F 5 HOH 94 494 498 HOH HOH A . F 5 HOH 95 495 493 HOH HOH A . F 5 HOH 96 496 614 HOH HOH A . F 5 HOH 97 497 590 HOH HOH A . F 5 HOH 98 498 414 HOH HOH A . F 5 HOH 99 499 515 HOH HOH A . F 5 HOH 100 500 423 HOH HOH A . F 5 HOH 101 501 507 HOH HOH A . F 5 HOH 102 502 456 HOH HOH A . F 5 HOH 103 503 447 HOH HOH A . F 5 HOH 104 504 442 HOH HOH A . F 5 HOH 105 505 585 HOH HOH A . F 5 HOH 106 506 434 HOH HOH A . F 5 HOH 107 507 455 HOH HOH A . F 5 HOH 108 508 458 HOH HOH A . F 5 HOH 109 509 579 HOH HOH A . F 5 HOH 110 510 473 HOH HOH A . F 5 HOH 111 511 601 HOH HOH A . F 5 HOH 112 512 433 HOH HOH A . F 5 HOH 113 513 430 HOH HOH A . F 5 HOH 114 514 486 HOH HOH A . F 5 HOH 115 515 443 HOH HOH A . F 5 HOH 116 516 598 HOH HOH A . F 5 HOH 117 517 460 HOH HOH A . F 5 HOH 118 518 554 HOH HOH A . F 5 HOH 119 519 516 HOH HOH A . F 5 HOH 120 520 501 HOH HOH A . F 5 HOH 121 521 612 HOH HOH A . F 5 HOH 122 522 480 HOH HOH A . F 5 HOH 123 523 520 HOH HOH A . F 5 HOH 124 524 541 HOH HOH A . F 5 HOH 125 525 492 HOH HOH A . F 5 HOH 126 526 478 HOH HOH A . F 5 HOH 127 527 577 HOH HOH A . F 5 HOH 128 528 454 HOH HOH A . F 5 HOH 129 529 475 HOH HOH A . F 5 HOH 130 530 513 HOH HOH A . F 5 HOH 131 531 537 HOH HOH A . F 5 HOH 132 532 594 HOH HOH A . F 5 HOH 133 533 602 HOH HOH A . F 5 HOH 134 534 540 HOH HOH A . F 5 HOH 135 535 521 HOH HOH A . F 5 HOH 136 536 575 HOH HOH A . F 5 HOH 137 537 446 HOH HOH A . F 5 HOH 138 538 406 HOH HOH A . F 5 HOH 139 539 438 HOH HOH A . F 5 HOH 140 540 574 HOH HOH A . F 5 HOH 141 541 432 HOH HOH A . F 5 HOH 142 542 529 HOH HOH A . F 5 HOH 143 543 463 HOH HOH A . F 5 HOH 144 544 538 HOH HOH A . F 5 HOH 145 545 482 HOH HOH A . F 5 HOH 146 546 412 HOH HOH A . F 5 HOH 147 547 566 HOH HOH A . F 5 HOH 148 548 465 HOH HOH A . F 5 HOH 149 549 544 HOH HOH A . F 5 HOH 150 550 522 HOH HOH A . F 5 HOH 151 551 535 HOH HOH A . F 5 HOH 152 552 607 HOH HOH A . F 5 HOH 153 553 503 HOH HOH A . F 5 HOH 154 554 470 HOH HOH A . F 5 HOH 155 555 484 HOH HOH A . F 5 HOH 156 556 533 HOH HOH A . F 5 HOH 157 557 604 HOH HOH A . F 5 HOH 158 558 536 HOH HOH A . F 5 HOH 159 559 565 HOH HOH A . F 5 HOH 160 560 471 HOH HOH A . F 5 HOH 161 561 613 HOH HOH A . F 5 HOH 162 562 485 HOH HOH A . F 5 HOH 163 563 502 HOH HOH A . F 5 HOH 164 564 599 HOH HOH A . F 5 HOH 165 565 464 HOH HOH A . F 5 HOH 166 566 410 HOH HOH A . F 5 HOH 167 567 490 HOH HOH A . F 5 HOH 168 568 519 HOH HOH A . F 5 HOH 169 569 606 HOH HOH A . F 5 HOH 170 570 472 HOH HOH A . F 5 HOH 171 571 559 HOH HOH A . F 5 HOH 172 572 445 HOH HOH A . F 5 HOH 173 573 479 HOH HOH A . F 5 HOH 174 574 419 HOH HOH A . F 5 HOH 175 575 441 HOH HOH A . F 5 HOH 176 576 600 HOH HOH A . F 5 HOH 177 577 611 HOH HOH A . F 5 HOH 178 578 610 HOH HOH A . F 5 HOH 179 579 439 HOH HOH A . F 5 HOH 180 580 616 HOH HOH A . F 5 HOH 181 581 453 HOH HOH A . F 5 HOH 182 582 415 HOH HOH A . F 5 HOH 183 583 542 HOH HOH A . F 5 HOH 184 584 489 HOH HOH A . F 5 HOH 185 585 586 HOH HOH A . F 5 HOH 186 586 468 HOH HOH A . F 5 HOH 187 587 457 HOH HOH A . F 5 HOH 188 588 582 HOH HOH A . F 5 HOH 189 589 595 HOH HOH A . F 5 HOH 190 590 608 HOH HOH A . F 5 HOH 191 591 545 HOH HOH A . F 5 HOH 192 592 617 HOH HOH A . F 5 HOH 193 593 402 HOH HOH A . F 5 HOH 194 594 483 HOH HOH A . F 5 HOH 195 595 404 HOH HOH A . F 5 HOH 196 596 583 HOH HOH A . F 5 HOH 197 597 605 HOH HOH A . F 5 HOH 198 598 584 HOH HOH A . F 5 HOH 199 599 562 HOH HOH A . F 5 HOH 200 600 589 HOH HOH A . F 5 HOH 201 601 592 HOH HOH A . F 5 HOH 202 602 570 HOH HOH A . F 5 HOH 203 603 508 HOH HOH A . F 5 HOH 204 604 487 HOH HOH A . F 5 HOH 205 605 499 HOH HOH A . F 5 HOH 206 606 550 HOH HOH A . F 5 HOH 207 607 563 HOH HOH A . F 5 HOH 208 608 517 HOH HOH A . F 5 HOH 209 609 528 HOH HOH A . F 5 HOH 210 610 578 HOH HOH A . F 5 HOH 211 611 618 HOH HOH A . F 5 HOH 212 612 568 HOH HOH A . F 5 HOH 213 613 491 HOH HOH A . F 5 HOH 214 614 532 HOH HOH A . F 5 HOH 215 615 546 HOH HOH A . F 5 HOH 216 616 525 HOH HOH A . F 5 HOH 217 617 569 HOH HOH A . F 5 HOH 218 618 506 HOH HOH A . F 5 HOH 219 619 558 HOH HOH A . F 5 HOH 220 620 523 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)' 460 ? 1 MORE 2 ? 1 'SSA (A^2)' 11250 ? # _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 2015-08-05 3 'Structure model' 1 2 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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' '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' ? ? ? ? ? ? ? ? ? ? ? DENZO ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ND2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 227 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O5 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 NAG _pdbx_validate_close_contact.auth_seq_id_2 301 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.13 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? A 127.27 110.10 17.17 1.90 N 2 1 CB A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? B 97.48 110.10 -12.62 1.90 N 3 1 CA A SER 235 ? ? C A SER 235 ? A N A ASN 236 ? ? 102.13 117.20 -15.07 2.20 Y # 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 ? ? 56.58 -103.81 2 1 PRO A 106 ? ? -85.55 36.80 3 1 THR A 158 ? ? -119.23 -82.95 4 1 SER A 235 ? ? -146.78 43.95 5 1 ASN A 236 ? ? -85.95 -72.52 6 1 ASN A 236 ? ? -144.85 -72.52 # _pdbx_validate_main_chain_plane.id 1 _pdbx_validate_main_chain_plane.PDB_model_num 1 _pdbx_validate_main_chain_plane.auth_comp_id SER _pdbx_validate_main_chain_plane.auth_asym_id A _pdbx_validate_main_chain_plane.auth_seq_id 235 _pdbx_validate_main_chain_plane.PDB_ins_code ? _pdbx_validate_main_chain_plane.label_alt_id A _pdbx_validate_main_chain_plane.improper_torsion_angle 17.33 # 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 '6-AMINOPYRIMIDIN-2(1H)-ONE' CYT 5 water HOH #