data_4ZZ6 # _entry.id 4ZZ6 # _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 4ZZ6 WWPDB D_1000210152 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2015-08-05 _pdbx_database_PDB_obs_spr.pdb_id 4ZZ6 _pdbx_database_PDB_obs_spr.replace_pdb_id 4K6S _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 4ZZ6 _pdbx_database_status.recvd_initial_deposition_date 2015-05-22 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamin, S.' 1 'Pandey, S.' 2 'Kaur, P.' 3 'Sharma, S.' 4 'Singh, T.P.' 5 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country NE _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Biochem Biophys Rep' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2405-5808 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 4 _citation.language ? _citation.page_first 134 _citation.page_last 140 _citation.title ;Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with cytosine, cytidine, and cytidine diphosphate ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.bbrep.2015.09.006 _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yamini, S.' 1 primary 'Pandey, S.N.' 2 primary 'Kaur, P.' 3 primary 'Sharma, S.' 4 primary 'Singh, T.P.' 5 # _cell.entry_id 4ZZ6 _cell.length_a 129.964 _cell.length_b 129.964 _cell.length_c 40.495 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 9 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4ZZ6 _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Ribosome inactivating protein' 27093.756 1 3.2.2.22 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 4 non-polymer syn "CYTIDINE-5'-TRIPHOSPHATE" 483.156 1 ? ? ? ? 5 water nat water 18.015 229 ? ? ? ? # _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.db_code D9J2T9_MOMBA _struct_ref.db_name UNP _struct_ref.details ? _struct_ref.entity_id 1 _struct_ref.id 1 _struct_ref.seq_align ? _struct_ref.seq_dif ? _struct_ref.pdbx_db_accession D9J2T9 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_align_end ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4ZZ6 _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 CTP non-polymer . "CYTIDINE-5'-TRIPHOSPHATE" ? 'C9 H16 N3 O14 P3' 483.156 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 4ZZ6 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.43 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.37 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.7 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type MARRESEARCH _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2012-11-11 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator Graphite _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4ZZ6 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.0 _reflns.d_resolution_low 38.13 _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 16425 _reflns.number_obs 16425 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.3 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.088 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 47.8 _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 2.0 _reflns_shell.d_res_low 2.03 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 7.2 _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 100 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4ZZ6 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 16425 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 38.13 _refine.ls_d_res_high 2.00 _refine.ls_percent_reflns_obs 99.96 _refine.ls_R_factor_obs 0.16339 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16256 _refine.ls_R_factor_R_free 0.18871 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 875 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.961 _refine.correlation_coeff_Fo_to_Fc_free 0.954 _refine.B_iso_mean 30.278 _refine.aniso_B[1][1] -0.74 _refine.aniso_B[2][2] -0.74 _refine.aniso_B[3][3] 2.42 _refine.aniso_B[1][2] -0.74 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _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_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3S9Q _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.188 _refine.pdbx_overall_ESU_R_Free 0.140 _refine.overall_SU_ML 0.093 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.245 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1911 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 55 _refine_hist.number_atoms_solvent 229 _refine_hist.number_atoms_total 2195 _refine_hist.d_res_high 2.00 _refine_hist.d_res_low 38.13 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.005 0.019 ? 2005 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 1915 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.046 1.997 ? 2736 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.700 3.000 ? 4384 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.097 5.000 ? 246 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.134 23.929 ? 84 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 11.824 15.000 ? 322 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.831 15.000 ? 13 'X-RAY DIFFRACTION' ? r_chiral_restr 0.056 0.200 ? 324 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.003 0.021 ? 2247 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 457 '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' ? r_mcbond_it 0.896 2.849 ? 986 'X-RAY DIFFRACTION' ? r_mcbond_other 0.896 2.848 ? 985 'X-RAY DIFFRACTION' ? r_mcangle_it 1.532 4.268 ? 1231 'X-RAY DIFFRACTION' ? r_mcangle_other 1.531 4.270 ? 1232 'X-RAY DIFFRACTION' ? r_scbond_it 1.145 3.099 ? 1019 'X-RAY DIFFRACTION' ? r_scbond_other 1.141 3.099 ? 1018 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 1.909 4.584 ? 1504 'X-RAY DIFFRACTION' ? r_long_range_B_refined 5.438 24.654 ? 2457 'X-RAY DIFFRACTION' ? r_long_range_B_other 5.437 24.661 ? 2458 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.997 _refine_ls_shell.d_res_low 2.049 _refine_ls_shell.number_reflns_R_work 1200 _refine_ls_shell.R_factor_R_work 0.187 _refine_ls_shell.percent_reflns_obs 99.53 _refine_ls_shell.R_factor_R_free 0.196 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 67 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4ZZ6 _struct.title ;Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine triphosphate at 2.0A 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 4ZZ6 _struct_keywords.text HYDROLASE _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 5 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 10 ? ALA A 24 ? ASP A 10 ALA A 24 1 ? 15 HELX_P HELX_P2 AA2 SER A 42 ? GLY A 45 ? SER A 42 GLY A 45 5 ? 4 HELX_P HELX_P3 AA3 GLU A 85 ? SER A 92 ? GLU A 85 SER A 92 1 ? 8 HELX_P HELX_P4 AA4 ASN A 110 ? GLY A 119 ? ASN A 110 GLY A 119 1 ? 10 HELX_P HELX_P5 AA5 PRO A 121 ? ILE A 125 ? PRO A 121 ILE A 125 5 ? 5 HELX_P HELX_P6 AA6 GLY A 128 ? LEU A 140 ? GLY A 128 LEU A 140 1 ? 13 HELX_P HELX_P7 AA7 ASP A 143 ? THR A 158 ? ASP A 143 THR A 158 1 ? 16 HELX_P HELX_P8 AA8 THR A 158 ? PHE A 164 ? THR A 158 PHE A 164 1 ? 7 HELX_P HELX_P9 AA9 PHE A 164 ? ARG A 174 ? PHE A 164 ARG A 174 1 ? 11 HELX_P HELX_P10 AB1 SER A 182 ? ALA A 202 ? SER A 182 ALA A 202 1 ? 21 HELX_P HELX_P11 AB2 GLN A 203 ? ASN A 205 ? GLN A 203 ASN A 205 5 ? 3 HELX_P HELX_P12 AB3 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P13 AB4 ASN A 242 ? ILE A 246 ? ASN A 242 ILE A 246 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 227 _struct_conn.ptnr1_label_atom_id ND2 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_conn.pdbx_ptnr1_standard_comp_id ? _struct_conn.ptnr1_symmetry 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 227 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 301 _struct_conn.ptnr2_symmetry 1_555 _struct_conn.pdbx_ptnr3_label_atom_id ? _struct_conn.pdbx_ptnr3_label_seq_id ? _struct_conn.pdbx_ptnr3_label_comp_id ? _struct_conn.pdbx_ptnr3_label_asym_id ? _struct_conn.pdbx_ptnr3_label_alt_id ? _struct_conn.pdbx_ptnr3_PDB_ins_code ? _struct_conn.details ? _struct_conn.pdbx_dist_value 1.446 _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 CTP 304 ? 18 'binding site for residue CTP A 304' AC4 Software A NAG 301 ? 8 '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 GLY A 8 ? GLY A 8 . ? 1_555 ? 3 AC1 6 ALA A 9 ? ALA A 9 . ? 1_555 ? 4 AC1 6 ARG A 101 ? ARG A 101 . ? 2_555 ? 5 AC1 6 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 402 . ? 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 18 TYR A 70 ? TYR A 70 . ? 1_555 ? 14 AC3 18 ILE A 71 ? ILE A 71 . ? 1_555 ? 15 AC3 18 MET A 72 ? MET A 72 . ? 1_555 ? 16 AC3 18 PHE A 83 ? PHE A 83 . ? 1_555 ? 17 AC3 18 GLU A 85 ? GLU A 85 . ? 1_555 ? 18 AC3 18 GLY A 109 ? GLY A 109 . ? 1_555 ? 19 AC3 18 ASN A 110 ? ASN A 110 . ? 1_555 ? 20 AC3 18 TYR A 111 ? TYR A 111 . ? 1_555 ? 21 AC3 18 GLU A 112 ? GLU A 112 . ? 1_555 ? 22 AC3 18 ARG A 122 ? ARG A 122 . ? 1_555 ? 23 AC3 18 ILE A 155 ? ILE A 155 . ? 1_555 ? 24 AC3 18 GLU A 160 ? GLU A 160 . ? 1_555 ? 25 AC3 18 ARG A 163 ? ARG A 163 . ? 1_555 ? 26 AC3 18 ASN A 190 ? ASN A 190 . ? 1_555 ? 27 AC3 18 HOH F . ? HOH A 404 . ? 1_555 ? 28 AC3 18 HOH F . ? HOH A 405 . ? 1_555 ? 29 AC3 18 HOH F . ? HOH A 423 . ? 1_555 ? 30 AC3 18 HOH F . ? HOH A 475 . ? 1_555 ? 31 AC4 8 THR A 226 ? THR A 226 . ? 1_555 ? 32 AC4 8 ASN A 227 ? ASN A 227 . ? 1_555 ? 33 AC4 8 THR A 229 ? THR A 229 . ? 1_555 ? 34 AC4 8 HOH F . ? HOH A 449 . ? 1_555 ? 35 AC4 8 HOH F . ? HOH A 483 . ? 1_555 ? 36 AC4 8 HOH F . ? HOH A 503 . ? 1_555 ? 37 AC4 8 HOH F . ? HOH A 529 . ? 1_555 ? 38 AC4 8 HOH F . ? HOH A 571 . ? 1_555 ? # _atom_sites.entry_id 4ZZ6 _atom_sites.fract_transf_matrix[1][1] 0.007694 _atom_sites.fract_transf_matrix[1][2] 0.004442 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008885 _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] 0.024694 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -4.269 -28.746 15.472 1.00 30.68 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -3.786 -27.483 14.825 1.00 30.75 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -2.296 -27.551 14.554 1.00 29.53 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -1.602 -28.417 15.080 1.00 30.14 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -4.059 -26.268 15.718 1.00 31.02 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -5.526 -26.111 16.077 1.00 31.38 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -6.348 -26.952 15.665 1.00 31.44 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -5.849 -25.135 16.785 1.00 32.04 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -1.812 -26.621 13.738 1.00 28.23 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -0.379 -26.440 13.525 1.00 27.08 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -0.019 -24.977 13.763 1.00 26.16 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -0.879 -24.097 13.688 1.00 25.49 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? 0.060 -26.878 12.111 1.00 27.37 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -0.114 -28.381 11.950 1.00 27.44 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -0.707 -26.123 11.033 1.00 27.58 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? 1.251 -24.729 14.055 1.00 25.60 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? 1.714 -23.394 14.395 1.00 25.20 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? 3.047 -23.070 13.746 1.00 24.82 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? 3.842 -23.965 13.460 1.00 24.93 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? 1.837 -23.257 15.913 1.00 25.38 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? 0.561 -23.300 16.513 1.00 25.60 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? 3.280 -21.784 13.509 1.00 24.53 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? 4.581 -21.312 13.052 1.00 24.74 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? 4.842 -19.903 13.556 1.00 25.07 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? 3.995 -19.020 13.419 1.00 24.31 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? 4.679 -21.346 11.527 1.00 25.11 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? 6.019 -20.910 10.992 1.00 25.26 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? 7.194 -21.496 11.452 1.00 25.27 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? 6.108 -19.924 10.016 1.00 25.68 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? 8.423 -21.097 10.965 1.00 25.10 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? 7.337 -19.523 9.521 1.00 25.23 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? 8.497 -20.112 9.996 1.00 25.68 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? 6.031 -19.705 14.117 1.00 25.42 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? 6.424 -18.430 14.690 1.00 26.06 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? 7.596 -17.845 13.909 1.00 25.26 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? 8.637 -18.478 13.782 1.00 24.88 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? 6.794 -18.628 16.160 1.00 27.76 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? 5.597 -19.004 17.017 1.00 30.27 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? 5.978 -19.367 18.441 1.00 32.50 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? 4.800 -19.415 19.309 1.00 35.03 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? 3.912 -20.411 19.353 1.00 36.74 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? 4.038 -21.486 18.576 1.00 37.62 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? 2.878 -20.332 20.189 1.00 37.52 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? 7.415 -16.638 13.383 1.00 24.87 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? 8.463 -15.969 12.618 1.00 25.14 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? 9.592 -15.457 13.517 1.00 25.48 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? 10.726 -15.316 13.061 1.00 25.33 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? 7.882 -14.823 11.773 1.00 25.45 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? 7.309 -15.206 10.398 1.00 25.46 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? 8.420 -15.667 9.462 1.00 25.98 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? 6.224 -16.269 10.496 1.00 25.96 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? 9.284 -15.185 14.783 1.00 26.32 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? 10.305 -14.762 15.736 1.00 27.29 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? 11.274 -15.911 15.983 1.00 27.32 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? 10.887 -16.964 16.490 1.00 26.86 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? 9.682 -14.310 17.058 1.00 28.22 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? 10.653 -13.654 17.855 1.00 29.66 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? 12.528 -15.707 15.591 1.00 27.22 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? 13.560 -16.729 15.724 1.00 28.05 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? 13.506 -17.812 14.661 1.00 27.75 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? 14.229 -18.803 14.756 1.00 28.11 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? 12.668 -17.629 13.641 1.00 27.12 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? 12.509 -18.638 12.596 1.00 27.00 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? 13.783 -18.802 11.776 1.00 27.10 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? 14.496 -17.834 11.520 1.00 26.73 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? 11.348 -18.284 11.679 1.00 27.08 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? 14.061 -20.039 11.376 1.00 27.63 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? 15.163 -20.340 10.463 1.00 28.11 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? 14.721 -21.488 9.545 1.00 27.58 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? 13.624 -22.021 9.724 1.00 26.27 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? 16.442 -20.658 11.258 1.00 29.25 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? 16.358 -21.959 12.044 1.00 30.89 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? 15.256 -22.535 12.175 1.00 31.12 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? 17.416 -22.405 12.546 1.00 32.63 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? 15.551 -21.857 8.549 1.00 27.94 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? 15.157 -22.935 7.633 1.00 28.26 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? 14.678 -24.209 8.329 1.00 28.17 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? 13.742 -24.853 7.857 1.00 27.30 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? 16.435 -23.186 6.835 1.00 28.59 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? 17.072 -21.835 6.766 1.00 28.52 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? 16.805 -21.213 8.112 1.00 28.33 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? 15.302 -24.552 9.454 1.00 29.09 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? 14.910 -25.731 10.219 1.00 29.32 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? 13.494 -25.616 10.792 1.00 27.87 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? 12.670 -26.498 10.575 1.00 27.56 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? 15.906 -25.990 11.348 1.00 30.30 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? 15.583 -27.192 12.026 1.00 33.35 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? 13.209 -24.539 11.519 1.00 27.05 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? 11.893 -24.390 12.156 1.00 26.57 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? 10.773 -24.233 11.128 1.00 25.38 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? 9.643 -24.682 11.351 1.00 25.54 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? 11.877 -23.231 13.162 1.00 26.89 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? 11.849 -21.964 12.523 1.00 26.87 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? 11.085 -23.612 9.998 1.00 24.67 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? 10.128 -23.551 8.899 1.00 24.23 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? 9.858 -24.961 8.361 1.00 24.69 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? 8.707 -25.328 8.126 1.00 24.84 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? 10.628 -22.627 7.791 1.00 23.46 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? 9.741 -22.630 6.569 1.00 22.75 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? 8.493 -22.014 6.586 1.00 22.63 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? 10.144 -23.261 5.402 1.00 22.64 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? 7.678 -22.020 5.469 1.00 22.61 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? 9.335 -23.275 4.280 1.00 22.52 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? 8.108 -22.652 4.316 1.00 22.22 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? 7.308 -22.666 3.200 1.00 22.18 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? 10.920 -25.745 8.180 1.00 25.26 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? 10.794 -27.138 7.745 1.00 25.68 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? 9.945 -27.978 8.685 1.00 26.70 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? 9.142 -28.798 8.241 1.00 26.70 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? 10.114 -27.768 9.989 1.00 27.69 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? 9.291 -28.449 10.989 1.00 28.64 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? 7.815 -28.079 10.828 1.00 26.70 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? 6.940 -28.933 10.939 1.00 25.74 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? 9.765 -28.107 12.407 1.00 31.74 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? 11.155 -28.632 12.740 1.00 34.93 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? 11.538 -28.536 14.501 1.00 41.52 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? 12.382 -26.962 14.626 1.00 40.55 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? 7.547 -26.805 10.556 1.00 25.08 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? 6.180 -26.337 10.339 1.00 24.54 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? 5.559 -26.987 9.101 1.00 23.41 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? 4.437 -27.473 9.157 1.00 22.68 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? 6.139 -24.803 10.254 1.00 24.85 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? 4.939 -24.254 9.525 1.00 25.14 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? 3.655 -24.433 10.023 1.00 25.20 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? 5.102 -23.531 8.352 1.00 25.33 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? 2.556 -23.910 9.355 1.00 25.53 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? 4.010 -23.009 7.681 1.00 25.69 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? 2.735 -23.202 8.180 1.00 25.40 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? 6.290 -27.007 7.994 1.00 23.82 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? 5.779 -27.616 6.764 1.00 23.94 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? 5.557 -29.123 6.961 1.00 25.16 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? 4.584 -29.681 6.447 1.00 24.91 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? 6.706 -27.330 5.560 1.00 23.72 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? 6.733 -25.825 5.235 1.00 23.51 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? 6.275 -28.126 4.338 1.00 23.34 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? 5.379 -25.202 4.946 1.00 23.44 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? 6.445 -29.769 7.717 1.00 26.69 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? 6.255 -31.174 8.102 1.00 28.22 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? 4.978 -31.341 8.925 1.00 27.29 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? 4.179 -32.239 8.654 1.00 26.50 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? 7.464 -31.702 8.891 1.00 30.49 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? 7.274 -33.104 9.473 1.00 33.20 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? 8.147 -33.355 10.696 1.00 35.73 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? 9.551 -33.789 10.312 1.00 37.63 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? 10.392 -34.061 11.513 1.00 39.01 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? 4.797 -30.483 9.930 1.00 26.83 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? 3.584 -30.500 10.758 1.00 27.02 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? 2.329 -30.322 9.903 1.00 26.13 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? 1.332 -31.019 10.093 1.00 25.08 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? 3.616 -29.390 11.820 1.00 27.74 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? 4.645 -29.633 12.914 1.00 28.65 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? 5.201 -30.746 13.006 1.00 28.00 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? 4.897 -28.689 13.692 1.00 29.85 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? 2.385 -29.374 8.971 1.00 25.57 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? 1.254 -29.092 8.085 1.00 25.49 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? 0.877 -30.332 7.264 1.00 25.11 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -0.280 -30.754 7.261 1.00 24.78 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? 1.587 -27.901 7.177 1.00 25.47 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? 0.601 -27.482 6.083 1.00 26.08 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -0.835 -27.424 6.573 1.00 26.47 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? 1.026 -26.131 5.523 1.00 26.01 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? 1.861 -30.921 6.593 1.00 25.43 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? 1.649 -32.162 5.843 1.00 26.00 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? 1.035 -33.255 6.718 1.00 27.16 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? 0.059 -33.891 6.325 1.00 27.31 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? 2.968 -32.673 5.271 1.00 25.81 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? 3.491 -31.875 4.092 1.00 25.60 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? 4.930 -32.244 3.789 1.00 25.41 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? 5.495 -31.393 2.743 1.00 25.18 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? 6.785 -31.074 2.636 1.00 25.38 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? 7.683 -31.525 3.511 1.00 26.07 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? 7.184 -30.283 1.649 1.00 24.82 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? 1.607 -33.453 7.906 1.00 28.95 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? 1.168 -34.525 8.810 1.00 30.98 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -0.224 -34.307 9.395 1.00 30.81 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -0.842 -35.251 9.884 1.00 31.89 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? 2.171 -34.727 9.957 1.00 32.10 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? 3.491 -35.351 9.508 1.00 33.63 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? 4.482 -35.279 10.232 1.00 35.63 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? 3.513 -35.973 8.330 1.00 34.76 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -0.711 -33.068 9.359 1.00 30.64 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -2.054 -32.750 9.837 1.00 30.03 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -3.132 -33.018 8.780 1.00 30.14 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -4.319 -32.959 9.086 1.00 29.72 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -2.119 -31.301 10.291 1.00 30.20 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -2.722 -33.301 7.544 1.00 29.51 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -3.668 -33.599 6.475 1.00 29.21 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -3.932 -35.102 6.442 1.00 29.63 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -2.998 -35.890 6.275 1.00 29.05 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -3.126 -33.123 5.124 1.00 28.85 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -2.752 -31.636 5.042 1.00 29.12 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -2.115 -31.315 3.698 1.00 29.03 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -3.958 -30.739 5.282 1.00 28.86 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -5.202 -35.507 6.607 1.00 30.09 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -5.510 -36.928 6.681 1.00 31.04 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -5.484 -37.616 5.322 1.00 32.00 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -5.778 -36.997 4.296 1.00 31.27 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -6.923 -36.946 7.262 1.00 30.78 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -7.532 -35.684 6.765 1.00 30.62 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -6.413 -34.680 6.749 1.00 30.11 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -5.109 -38.891 5.341 1.00 33.14 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -5.117 -39.740 4.159 1.00 34.85 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -5.222 -41.190 4.625 1.00 36.23 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -4.771 -41.521 5.723 1.00 35.24 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -3.855 -39.520 3.314 1.00 34.96 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -2.595 -40.042 3.937 1.00 35.67 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -1.844 -39.310 4.833 1.00 36.39 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -1.943 -41.218 3.773 1.00 35.86 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -0.791 -40.016 5.203 1.00 36.88 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -0.827 -41.178 4.573 1.00 37.17 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -5.844 -42.039 3.815 1.00 38.33 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -5.907 -43.475 4.112 1.00 40.00 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -5.096 -44.308 3.118 1.00 40.64 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -4.849 -45.492 3.351 1.00 40.78 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -7.361 -43.985 4.131 1.00 41.44 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -8.066 -43.482 2.990 1.00 42.78 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -8.074 -43.538 5.402 1.00 42.38 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -4.670 -43.676 2.028 1.00 39.92 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -4.012 -44.356 0.929 1.00 40.92 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -2.833 -43.510 0.458 1.00 39.24 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -2.903 -42.279 0.478 1.00 37.61 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -5.015 -44.514 -0.212 1.00 43.41 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -4.803 -45.713 -1.118 1.00 46.66 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -5.845 -45.783 -2.223 1.00 48.62 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -7.019 -45.438 -1.963 1.00 51.28 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -5.492 -46.179 -3.353 1.00 51.07 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -1.749 -44.169 0.058 1.00 37.02 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -0.692 -43.514 -0.697 1.00 36.66 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -0.718 -44.051 -2.118 1.00 36.29 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -1.020 -45.224 -2.346 1.00 37.42 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? 0.677 -43.760 -0.074 1.00 36.74 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? 0.820 -43.226 1.340 1.00 37.17 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? 2.263 -43.311 1.802 1.00 38.06 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? 2.423 -42.812 3.225 1.00 38.72 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? 3.825 -42.972 3.704 1.00 39.28 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -0.417 -43.179 -3.071 1.00 34.64 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -0.336 -43.555 -4.472 1.00 33.65 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? 1.087 -43.258 -4.911 1.00 33.37 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? 1.539 -42.114 -4.833 1.00 32.53 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -1.350 -42.766 -5.318 1.00 33.24 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -1.211 -43.110 -6.793 1.00 33.21 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -2.764 -43.040 -4.828 1.00 33.25 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? 1.790 -44.303 -5.346 1.00 32.68 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? 3.225 -44.237 -5.611 1.00 32.47 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? 3.967 -43.594 -4.444 1.00 32.13 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? 4.854 -42.761 -4.627 1.00 33.35 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? 3.494 -43.532 -6.939 1.00 32.40 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? 2.998 -44.353 -8.098 1.00 32.60 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? 3.720 -45.456 -8.544 1.00 32.79 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? 1.790 -44.063 -8.722 1.00 32.81 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? 3.265 -46.233 -9.594 1.00 32.91 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? 1.327 -44.836 -9.774 1.00 33.16 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? 2.072 -45.919 -10.203 1.00 33.05 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? 1.627 -46.693 -11.245 1.00 34.34 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? 3.570 -44.002 -3.241 1.00 31.60 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? 4.184 -43.565 -1.992 1.00 31.84 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? 3.928 -42.098 -1.608 1.00 30.80 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? 4.551 -41.584 -0.676 1.00 30.25 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? 5.688 -43.861 -2.015 1.00 33.55 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? 6.265 -44.057 -0.627 1.00 34.68 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? 5.655 -44.700 0.231 1.00 37.24 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? 7.447 -43.506 -0.398 1.00 36.11 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? 3.004 -41.438 -2.306 1.00 29.72 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? 2.614 -40.063 -1.986 1.00 28.97 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? 1.231 -40.090 -1.343 1.00 28.51 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? 0.308 -40.677 -1.908 1.00 28.49 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? 2.544 -39.171 -3.244 1.00 28.93 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? 3.848 -39.248 -4.041 1.00 28.89 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? 2.278 -37.720 -2.856 1.00 29.07 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? 3.641 -39.135 -5.533 1.00 28.73 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? 1.077 -39.448 -0.168 1.00 28.00 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -0.224 -39.348 0.488 1.00 27.99 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -1.316 -38.842 -0.448 1.00 27.72 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -1.132 -37.816 -1.100 1.00 26.96 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? 0.028 -38.332 1.601 1.00 28.20 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? 1.462 -38.500 1.936 1.00 27.86 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? 2.145 -38.838 0.645 1.00 28.16 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -2.430 -39.573 -0.515 1.00 27.83 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -3.584 -39.186 -1.325 1.00 28.36 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -4.614 -38.500 -0.440 1.00 28.70 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -5.187 -39.128 0.451 1.00 28.85 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -4.212 -40.416 -1.997 1.00 28.89 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -5.526 -40.195 -2.755 1.00 28.76 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -5.307 -39.340 -3.988 1.00 28.83 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -6.167 -41.524 -3.129 1.00 29.51 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -4.858 -37.215 -0.682 1.00 28.85 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -5.834 -36.481 0.116 1.00 29.27 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -7.218 -37.085 -0.072 1.00 30.26 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -7.521 -37.650 -1.124 1.00 30.18 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -5.837 -34.989 -0.238 1.00 28.86 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -4.526 -34.257 0.063 1.00 28.80 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -4.569 -32.837 -0.485 1.00 29.04 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -4.236 -34.259 1.560 1.00 28.83 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -8.045 -36.970 0.963 1.00 31.80 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -9.347 -37.627 0.982 1.00 32.70 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -10.323 -36.987 -0.002 1.00 32.84 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -10.215 -35.793 -0.289 1.00 32.43 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -9.942 -37.581 2.390 1.00 33.09 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -9.139 -38.286 3.483 1.00 34.14 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -9.764 -38.022 4.843 1.00 34.37 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -9.042 -39.781 3.212 1.00 34.74 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -11.287 -37.776 -0.515 1.00 33.69 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -12.300 -37.230 -1.425 1.00 34.05 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -13.141 -36.145 -0.756 1.00 34.86 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -13.442 -35.126 -1.374 1.00 33.85 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -13.177 -38.446 -1.764 1.00 33.85 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -12.390 -39.639 -1.359 1.00 33.77 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -11.536 -39.198 -0.215 1.00 33.65 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -13.517 -36.379 0.498 1.00 36.70 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -14.228 -35.385 1.286 1.00 38.32 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -14.127 -35.681 2.777 1.00 39.09 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -13.777 -36.790 3.183 1.00 39.70 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -15.700 -35.314 0.871 1.00 39.22 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -16.338 -36.565 1.040 1.00 40.83 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -14.406 -34.657 3.575 1.00 39.34 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -14.514 -34.768 5.022 1.00 40.16 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -15.738 -33.955 5.433 1.00 41.81 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -15.940 -32.840 4.944 1.00 41.92 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -13.261 -34.220 5.740 1.00 39.54 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -13.445 -34.260 7.253 1.00 39.24 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -12.017 -35.000 5.331 1.00 39.16 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -16.552 -34.515 6.323 1.00 43.52 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -17.799 -33.875 6.738 1.00 44.34 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -17.596 -33.040 7.992 1.00 42.99 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -16.867 -33.435 8.901 1.00 44.15 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -18.886 -34.924 6.993 1.00 45.39 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -19.320 -35.507 5.778 1.00 47.06 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.250 -31.883 8.030 1.00 42.21 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -18.264 -31.042 9.219 1.00 41.14 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -16.964 -30.306 9.472 1.00 40.23 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -16.210 -30.008 8.544 1.00 40.16 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -16.708 -30.024 10.747 1.00 39.01 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -15.574 -29.205 11.171 1.00 37.93 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -14.224 -29.889 10.970 1.00 36.80 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -13.199 -29.214 10.859 1.00 36.14 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -15.739 -28.806 12.631 1.00 38.01 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -14.225 -31.222 10.926 1.00 35.10 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -13.007 -31.995 10.676 1.00 34.61 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -12.365 -31.687 9.332 1.00 33.62 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -11.192 -31.990 9.106 1.00 32.70 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -13.139 -31.076 8.442 1.00 32.70 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -12.651 -30.654 7.138 1.00 32.30 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -11.579 -29.554 7.201 1.00 30.88 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -10.805 -29.398 6.259 1.00 30.32 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -13.828 -30.171 6.294 1.00 33.42 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -13.487 -29.939 4.838 1.00 34.77 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -14.726 -29.644 4.018 1.00 36.42 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -14.377 -29.568 2.605 1.00 38.95 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -14.575 -30.530 1.703 1.00 39.99 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -15.168 -31.679 2.026 1.00 40.14 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -14.188 -30.326 0.448 1.00 41.17 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -11.525 -28.799 8.297 1.00 30.02 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -10.683 -27.599 8.346 1.00 29.26 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -9.548 -27.675 9.364 1.00 29.31 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -9.773 -27.899 10.557 1.00 30.86 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -11.556 -26.368 8.592 1.00 28.85 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -12.731 -26.337 7.650 1.00 28.81 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -12.559 -26.023 6.303 1.00 28.01 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -14.008 -26.670 8.093 1.00 28.49 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -13.636 -26.019 5.429 1.00 28.44 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.088 -26.667 7.229 1.00 28.57 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -14.899 -26.347 5.902 1.00 28.41 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -15.985 -26.344 5.060 1.00 28.72 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -8.327 -27.496 8.865 1.00 27.96 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -7.139 -27.384 9.696 1.00 27.68 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -6.914 -25.916 10.042 1.00 27.09 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -7.029 -25.046 9.176 1.00 26.37 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -5.918 -27.938 8.956 1.00 28.19 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -4.532 -27.700 9.565 1.00 28.41 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -4.412 -28.343 10.936 1.00 28.69 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -3.457 -28.229 8.632 1.00 28.83 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -6.599 -25.651 11.305 1.00 26.30 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -6.235 -24.308 11.749 1.00 26.36 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -4.718 -24.169 11.842 1.00 25.92 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -4.058 -24.961 12.522 1.00 25.34 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -6.860 -24.011 13.109 1.00 26.58 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -8.377 -24.192 13.191 1.00 27.07 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -8.868 -23.725 14.549 1.00 27.52 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -9.095 -23.451 12.067 1.00 27.13 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -4.176 -23.168 11.149 1.00 25.61 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -2.764 -22.816 11.240 1.00 25.50 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -2.631 -21.529 12.036 1.00 25.61 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -3.167 -20.495 11.634 1.00 25.52 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -2.157 -22.562 9.860 1.00 26.17 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -2.325 -23.668 8.843 1.00 26.84 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -1.211 -23.349 7.457 1.00 27.29 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -1.951 -21.879 6.744 1.00 26.44 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -1.911 -21.590 13.149 1.00 25.36 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -1.632 -20.407 13.952 1.00 25.33 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -0.288 -19.849 13.527 1.00 24.63 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? 0.748 -20.485 13.733 1.00 24.84 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -1.622 -20.759 15.441 1.00 25.99 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -2.874 -21.438 15.898 1.00 26.86 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -4.057 -20.760 16.096 1.00 27.22 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -3.134 -22.737 16.173 1.00 26.98 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -4.991 -21.611 16.480 1.00 27.29 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -4.457 -22.817 16.533 1.00 27.74 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -0.315 -18.667 12.920 1.00 23.65 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? 0.887 -18.021 12.423 1.00 23.62 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? 1.145 -16.759 13.223 1.00 24.19 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? 0.236 -15.955 13.419 1.00 24.22 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? 0.721 -17.666 10.947 1.00 23.16 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? 0.336 -18.822 10.022 1.00 23.00 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? 0.047 -18.298 8.626 1.00 22.67 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? 1.426 -19.884 9.979 1.00 22.99 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? 2.385 -16.584 13.670 1.00 24.63 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? 2.759 -15.433 14.485 1.00 25.83 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? 3.831 -14.647 13.770 1.00 26.06 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? 4.840 -15.212 13.356 1.00 26.09 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? 3.313 -15.870 15.840 1.00 26.09 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? 2.359 -16.688 16.653 1.00 26.92 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? 2.099 -18.006 16.316 1.00 27.45 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? 1.742 -16.151 17.774 1.00 27.53 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? 1.226 -18.768 17.065 1.00 27.61 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? 0.863 -16.907 18.528 1.00 27.80 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? 0.607 -18.219 18.173 1.00 28.21 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? 3.621 -13.343 13.634 1.00 26.66 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? 4.626 -12.491 13.032 1.00 27.76 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? 5.784 -12.287 14.007 1.00 29.30 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? 5.739 -12.755 15.149 1.00 28.84 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? 4.016 -11.167 12.535 1.00 27.29 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? 3.641 -10.206 13.652 1.00 27.32 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? 3.877 -10.450 14.837 1.00 26.29 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? 3.046 -9.083 13.262 1.00 27.18 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? 6.820 -11.597 13.554 1.00 31.25 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? 8.010 -11.397 14.366 1.00 34.56 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? 7.703 -10.800 15.747 1.00 34.01 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? 8.325 -11.187 16.740 1.00 33.01 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? 9.009 -10.521 13.620 1.00 36.56 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? 10.252 -10.260 14.413 1.00 40.22 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? 11.311 -11.167 14.405 1.00 41.72 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? 10.367 -9.114 15.190 1.00 41.78 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? 12.458 -10.928 15.140 1.00 42.90 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? 11.505 -8.869 15.929 1.00 43.66 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? 12.546 -9.774 15.898 1.00 43.91 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? 13.666 -9.514 16.638 1.00 46.91 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? 6.742 -9.878 15.805 1.00 32.82 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? 6.348 -9.235 17.065 1.00 33.66 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? 5.417 -10.079 17.935 1.00 32.86 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? 5.022 -9.646 19.019 1.00 32.25 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? 5.686 -7.880 16.787 1.00 34.72 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? 6.644 -6.881 16.174 1.00 36.00 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? 7.860 -6.993 16.421 1.00 36.55 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? 6.182 -5.980 15.443 1.00 38.03 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? 5.060 -11.274 17.470 1.00 31.60 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? 4.221 -12.180 18.250 1.00 31.43 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? 2.724 -11.984 18.071 1.00 30.90 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? 1.933 -12.623 18.758 1.00 31.15 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? 2.326 -11.096 17.164 1.00 30.74 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? 0.918 -10.975 16.789 1.00 31.60 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? 0.551 -12.161 15.923 1.00 30.69 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? 1.407 -12.701 15.225 1.00 31.04 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? 0.656 -9.676 16.027 1.00 33.20 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? 0.785 -8.449 16.905 1.00 34.96 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? 0.574 -8.510 18.116 1.00 37.68 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? 1.119 -7.320 16.295 1.00 36.99 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -0.714 -12.562 15.962 1.00 29.76 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -1.121 -13.821 15.348 1.00 29.95 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -2.393 -13.732 14.519 1.00 27.98 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -3.306 -12.965 14.831 1.00 28.47 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -1.325 -14.922 16.414 1.00 30.69 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -1.520 -16.187 15.769 1.00 31.73 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -2.524 -14.618 17.316 1.00 31.31 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -2.425 -14.527 13.454 1.00 26.28 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -3.663 -14.868 12.769 1.00 24.70 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -3.823 -16.386 12.801 1.00 23.97 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -2.843 -17.119 12.958 1.00 23.33 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -3.694 -14.347 11.312 1.00 24.40 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -2.600 -15.001 10.451 1.00 24.51 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -3.553 -12.832 11.302 1.00 24.38 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -2.720 -14.704 8.967 1.00 24.50 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -5.062 -16.848 12.673 1.00 23.10 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -5.342 -18.268 12.513 1.00 23.20 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -5.966 -18.466 11.146 1.00 22.74 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -6.963 -17.820 10.820 1.00 22.44 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -6.293 -18.785 13.602 1.00 23.56 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -5.689 -18.579 14.882 1.00 24.18 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -6.575 -20.266 13.414 1.00 23.91 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -5.371 -19.354 10.356 1.00 22.14 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -5.786 -19.587 8.977 1.00 22.06 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -6.469 -20.945 8.882 1.00 22.27 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -5.926 -21.950 9.352 1.00 21.96 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -4.568 -19.573 8.033 1.00 21.84 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -4.994 -19.761 6.581 1.00 21.91 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -3.787 -18.277 8.196 1.00 21.70 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -7.651 -20.965 8.272 1.00 22.05 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -8.417 -22.196 8.087 1.00 22.25 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -8.121 -22.798 6.718 1.00 22.59 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -8.292 -22.136 5.691 1.00 21.76 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -9.906 -21.920 8.227 1.00 22.23 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -7.684 -24.056 6.724 1.00 22.98 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -7.269 -24.768 5.523 1.00 23.30 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -8.150 -26.007 5.312 1.00 24.13 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -8.300 -26.828 6.218 1.00 24.46 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -5.797 -25.220 5.653 1.00 22.93 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -5.337 -25.981 4.413 1.00 22.74 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -4.891 -24.023 5.917 1.00 22.85 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -8.729 -26.130 4.120 1.00 24.92 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -9.490 -27.318 3.738 1.00 25.79 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -8.507 -28.478 3.540 1.00 25.86 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -7.621 -28.415 2.685 1.00 25.61 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -10.300 -27.042 2.461 1.00 26.63 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -11.189 -28.218 2.044 1.00 27.41 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -10.811 -29.389 2.258 1.00 28.54 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -12.272 -27.968 1.478 1.00 28.42 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -8.670 -29.531 4.338 1.00 26.67 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -7.698 -30.627 4.370 1.00 26.95 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -7.789 -31.564 3.160 1.00 26.95 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -6.903 -32.394 2.961 1.00 27.71 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -7.779 -31.451 5.676 1.00 27.18 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -7.621 -30.548 6.894 1.00 27.09 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -9.067 -32.267 5.749 1.00 27.63 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -8.837 -31.419 2.350 1.00 26.75 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -9.007 -32.239 1.147 1.00 26.98 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -8.230 -31.689 -0.053 1.00 26.63 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -7.888 -32.440 -0.959 1.00 26.43 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -10.496 -32.371 0.744 1.00 27.24 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -10.988 -31.110 0.270 1.00 27.09 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -11.339 -32.838 1.924 1.00 27.61 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -7.964 -30.383 -0.065 1.00 26.17 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -7.261 -29.745 -1.190 1.00 25.40 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -6.162 -28.737 -0.808 1.00 25.04 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -5.509 -28.188 -1.689 1.00 24.24 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -8.282 -29.078 -2.120 1.00 25.82 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -9.227 -28.151 -1.380 1.00 26.17 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -8.890 -27.621 -0.321 1.00 25.96 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -10.419 -27.951 -1.936 1.00 26.19 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -5.953 -28.529 0.495 1.00 24.82 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -5.000 -27.543 1.037 1.00 25.06 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -5.327 -26.090 0.631 1.00 25.41 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -4.441 -25.233 0.610 1.00 25.67 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -3.519 -27.877 0.691 1.00 25.22 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -2.594 -27.385 1.797 1.00 25.29 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -3.309 -29.375 0.484 1.00 25.31 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -6.596 -25.816 0.328 1.00 25.55 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -7.036 -24.466 -0.026 1.00 26.63 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -7.282 -23.675 1.246 1.00 25.36 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -7.915 -24.169 2.179 1.00 24.89 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -8.345 -24.488 -0.825 1.00 28.17 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -8.265 -24.988 -2.254 1.00 30.54 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -9.293 -24.711 -3.150 1.00 33.08 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -7.183 -25.735 -2.714 1.00 32.24 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -9.252 -25.167 -4.459 1.00 34.89 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -7.133 -26.199 -4.020 1.00 33.71 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -8.169 -25.911 -4.889 1.00 35.33 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -8.123 -26.357 -6.193 1.00 38.28 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -6.789 -22.445 1.280 1.00 24.95 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -7.086 -21.542 2.383 1.00 24.94 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -8.508 -21.013 2.190 1.00 24.45 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -8.847 -20.518 1.116 1.00 23.94 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -6.051 -20.401 2.462 1.00 25.38 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -4.703 -20.983 2.910 1.00 25.69 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -6.525 -19.317 3.419 1.00 25.23 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -3.531 -20.036 2.807 1.00 26.27 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -9.338 -21.153 3.220 1.00 24.09 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -10.735 -20.716 3.169 1.00 24.41 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -10.901 -19.301 3.716 1.00 23.41 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -11.718 -18.518 3.229 1.00 21.84 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -11.608 -21.666 3.990 1.00 25.99 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -11.685 -23.087 3.446 1.00 27.22 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -12.480 -23.156 1.833 1.00 30.32 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -11.061 -23.205 0.746 1.00 30.31 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -10.128 -18.993 4.745 1.00 22.33 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.259 -17.736 5.446 1.00 22.28 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -9.329 -17.712 6.633 1.00 22.09 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -8.526 -18.629 6.826 1.00 21.59 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.433 -16.661 7.431 1.00 22.34 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -8.564 -16.503 8.579 1.00 22.19 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -9.228 -15.626 9.632 1.00 22.88 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -10.174 -14.885 9.343 1.00 22.70 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -7.211 -15.910 8.152 1.00 22.07 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -7.344 -14.596 7.428 1.00 21.81 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -7.638 -14.558 6.070 1.00 21.56 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -7.209 -13.390 8.104 1.00 21.32 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.777 -13.357 5.402 1.00 21.34 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -7.357 -12.183 7.448 1.00 21.40 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -7.641 -12.173 6.094 1.00 21.53 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -7.793 -10.981 5.428 1.00 21.26 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -8.719 -15.730 10.853 1.00 23.29 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -9.179 -14.929 11.975 1.00 24.45 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.057 -13.992 12.396 1.00 24.77 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -6.924 -14.430 12.609 1.00 24.35 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -9.556 -15.840 13.142 1.00 25.31 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -9.986 -15.190 14.460 1.00 25.90 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -11.292 -14.429 14.291 1.00 26.39 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -10.128 -16.254 15.538 1.00 26.63 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -8.365 -12.704 12.494 1.00 24.87 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -7.416 -11.724 13.003 1.00 26.99 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -8.072 -10.957 14.152 1.00 28.44 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -9.027 -10.216 13.941 1.00 27.44 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -6.978 -10.782 11.898 1.00 26.67 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -7.545 -11.164 15.359 1.00 31.03 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -8.153 -10.692 16.610 1.00 31.57 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -9.618 -11.148 16.757 1.00 31.02 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -9.864 -12.309 17.091 1.00 31.70 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -7.970 -9.173 16.768 1.00 33.45 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -8.490 -8.487 18.043 1.00 34.74 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -8.309 -9.337 19.294 1.00 35.30 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -7.817 -7.135 18.222 1.00 35.82 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -10.589 -10.272 16.510 1.00 30.22 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -11.999 -10.638 16.697 1.00 29.31 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -12.796 -10.531 15.399 1.00 27.94 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -14.031 -10.511 15.420 1.00 27.84 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -12.675 -9.766 17.776 1.00 29.81 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -12.687 -8.397 17.354 1.00 30.23 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -11.947 -9.894 19.110 1.00 30.21 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -12.089 -10.470 14.274 1.00 26.41 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -12.723 -10.402 12.968 1.00 25.01 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -12.283 -11.600 12.134 1.00 24.14 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -11.083 -11.873 12.012 1.00 23.34 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -12.353 -9.102 12.225 1.00 24.94 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -12.695 -7.962 13.027 1.00 24.89 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -13.091 -9.008 10.899 1.00 25.04 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -13.254 -12.315 11.572 1.00 23.08 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -12.965 -13.381 10.616 1.00 22.81 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -13.102 -12.856 9.195 1.00 22.71 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -13.894 -11.948 8.926 1.00 22.42 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -13.886 -14.578 10.831 1.00 23.06 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -15.238 -14.229 10.626 1.00 22.83 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -12.317 -13.438 8.296 1.00 22.49 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -12.287 -13.055 6.894 1.00 22.15 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -12.336 -14.325 6.063 1.00 22.06 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -11.544 -15.232 6.301 1.00 21.94 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -10.990 -12.312 6.583 1.00 22.02 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -10.776 -11.061 7.404 1.00 22.36 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -10.166 -11.121 8.655 1.00 22.81 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -11.189 -9.823 6.934 1.00 22.88 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -9.966 -9.977 9.410 1.00 22.97 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -10.993 -8.673 7.685 1.00 23.75 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -10.379 -8.759 8.920 1.00 23.17 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -10.183 -7.627 9.670 1.00 24.39 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -13.253 -14.385 5.102 1.00 21.92 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -13.388 -15.538 4.214 1.00 22.20 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -13.413 -15.089 2.765 1.00 22.48 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -13.898 -14.003 2.451 1.00 22.67 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -14.674 -16.307 4.521 1.00 22.44 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -14.682 -16.954 5.872 1.00 22.41 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -14.209 -18.247 6.038 1.00 22.70 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -15.159 -16.270 6.978 1.00 22.36 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -14.214 -18.847 7.288 1.00 22.70 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -15.166 -16.863 8.229 1.00 22.43 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -14.690 -18.153 8.385 1.00 22.25 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -12.895 -15.932 1.879 1.00 22.81 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -12.982 -15.668 0.446 1.00 23.51 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -14.428 -15.662 -0.023 1.00 24.10 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -15.283 -16.327 0.562 1.00 23.64 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -12.199 -16.712 -0.346 1.00 23.30 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -10.711 -16.547 -0.250 1.00 23.35 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -10.108 -15.367 -0.669 1.00 23.19 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -9.910 -17.565 0.252 1.00 23.24 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.740 -15.203 -0.585 1.00 23.18 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -8.536 -17.409 0.331 1.00 23.24 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -7.951 -16.227 -0.087 1.00 23.35 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -14.688 -14.908 -1.085 1.00 25.45 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -16.013 -14.842 -1.683 1.00 26.51 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -16.193 -16.034 -2.612 1.00 27.17 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -16.082 -15.911 -3.829 1.00 26.94 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -16.179 -13.520 -2.444 1.00 26.92 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -17.623 -13.221 -2.830 1.00 27.71 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -17.870 -12.393 -3.707 1.00 29.69 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -18.574 -13.868 -2.177 1.00 27.18 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -16.415 -17.194 -2.026 1.00 28.08 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -16.647 -18.434 -2.773 1.00 28.69 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -17.431 -19.427 -1.925 1.00 28.80 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -17.328 -19.375 -0.728 1.00 28.57 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -15.336 -19.036 -3.235 1.00 28.95 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -14.556 -19.654 -2.100 1.00 29.61 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -13.069 -19.754 -2.332 1.00 30.67 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -12.514 -19.003 -3.088 1.00 30.38 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -12.457 -20.603 -1.728 1.00 32.04 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -18.206 -20.326 -2.544 1.00 29.44 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -19.059 -21.231 -1.759 1.00 29.64 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -18.323 -22.116 -0.745 1.00 29.45 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -18.821 -22.323 0.361 1.00 30.79 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -19.743 -22.082 -2.833 1.00 30.08 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -19.772 -21.205 -4.035 1.00 30.26 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -18.474 -20.447 -3.990 1.00 29.63 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -17.151 -22.626 -1.113 1.00 29.35 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -16.352 -23.444 -0.201 1.00 28.49 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -15.995 -22.692 1.084 1.00 27.87 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -16.010 -23.273 2.166 1.00 26.76 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -15.091 -23.931 -0.893 1.00 28.99 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -15.685 -21.403 0.963 1.00 27.20 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -15.338 -20.587 2.129 1.00 27.25 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -16.571 -20.209 2.946 1.00 27.91 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -16.506 -20.156 4.177 1.00 27.57 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -14.580 -19.340 1.703 1.00 27.02 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -17.688 -19.934 2.271 1.00 29.29 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -18.948 -19.657 2.968 1.00 30.88 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -19.351 -20.883 3.783 1.00 30.15 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -19.761 -20.752 4.932 1.00 29.85 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -20.059 -19.254 1.982 1.00 33.17 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -21.428 -19.072 2.659 1.00 35.96 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -21.492 -18.702 3.854 1.00 36.84 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -22.454 -19.292 1.978 1.00 40.40 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -19.211 -22.068 3.192 1.00 30.22 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -19.433 -23.321 3.914 1.00 30.01 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -18.506 -23.421 5.124 1.00 28.84 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -18.961 -23.697 6.227 1.00 28.54 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -19.240 -24.528 2.989 1.00 31.07 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -19.237 -25.925 3.627 1.00 32.18 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -20.524 -26.191 4.396 1.00 33.08 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -19.022 -26.992 2.566 1.00 32.86 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -17.213 -23.177 4.918 1.00 28.21 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -16.241 -23.191 6.019 1.00 27.60 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -16.625 -22.232 7.146 1.00 27.56 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -16.433 -22.542 8.326 1.00 26.26 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -14.843 -22.869 5.505 1.00 27.79 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -17.193 -21.083 6.787 1.00 27.76 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -17.596 -20.088 7.784 1.00 28.52 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -18.707 -20.583 8.719 1.00 30.09 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -18.965 -19.975 9.755 1.00 28.56 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -18.015 -18.780 7.108 1.00 28.64 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -19.329 -18.851 6.579 1.00 28.77 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -19.353 -21.689 8.356 1.00 32.05 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -20.328 -22.333 9.231 1.00 33.29 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -19.650 -23.099 10.368 1.00 33.68 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -20.293 -23.405 11.373 1.00 34.51 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -21.233 -23.273 8.421 1.00 34.88 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -22.038 -22.559 7.345 1.00 36.17 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -22.852 -23.500 6.475 1.00 38.38 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -23.389 -24.501 6.953 1.00 39.94 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -22.956 -23.178 5.188 1.00 39.61 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -18.353 -23.386 10.224 1.00 32.94 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -17.641 -24.254 11.164 1.00 33.21 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -16.477 -23.618 11.932 1.00 32.23 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -16.219 -24.001 13.075 1.00 32.27 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -17.141 -25.495 10.422 1.00 34.31 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -18.264 -26.309 9.830 1.00 35.72 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -18.980 -27.215 10.610 1.00 36.94 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -18.627 -26.161 8.499 1.00 36.74 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -20.020 -27.956 10.072 1.00 37.31 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -19.663 -26.898 7.953 1.00 37.91 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -20.356 -27.794 8.741 1.00 38.30 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -21.385 -28.521 8.189 1.00 40.05 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -15.769 -22.670 11.321 1.00 30.06 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -14.576 -22.086 11.947 1.00 29.51 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -14.764 -20.604 12.257 1.00 29.03 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -15.484 -19.905 11.549 1.00 28.89 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -13.307 -22.258 11.077 1.00 29.37 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -12.967 -23.732 10.912 1.00 30.08 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -13.452 -21.579 9.718 1.00 29.12 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -14.109 -20.148 13.323 1.00 28.71 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -14.091 -18.731 13.726 1.00 29.26 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -15.474 -18.159 14.042 1.00 30.56 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -15.699 -16.953 13.912 1.00 30.32 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -13.409 -17.857 12.660 1.00 28.38 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -12.141 -18.442 12.098 1.00 27.80 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -11.224 -19.097 12.917 1.00 27.71 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -11.850 -18.312 10.745 1.00 27.12 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -10.059 -19.627 12.391 1.00 26.91 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -10.685 -18.838 10.217 1.00 26.89 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -9.788 -19.498 11.041 1.00 26.98 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -16.385 -19.018 14.486 1.00 32.93 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -17.762 -18.614 14.757 1.00 34.93 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -17.877 -17.624 15.923 1.00 35.00 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -18.834 -16.857 15.984 1.00 34.85 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -18.626 -19.847 15.026 1.00 36.53 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -18.836 -20.741 13.806 1.00 37.58 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -20.012 -20.278 12.960 1.00 39.53 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -21.210 -20.107 13.782 1.00 40.60 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -22.093 -21.060 14.081 1.00 41.94 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -23.130 -20.761 14.858 1.00 41.41 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -21.961 -22.302 13.614 1.00 42.64 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -16.900 -17.635 16.830 1.00 35.28 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -16.882 -16.707 17.962 1.00 35.58 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -16.352 -15.315 17.602 1.00 34.95 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -16.364 -14.422 18.446 1.00 34.25 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -16.067 -17.291 19.120 1.00 36.81 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -14.783 -17.703 18.689 1.00 39.23 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -15.894 -15.121 16.364 1.00 34.22 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -15.486 -13.793 15.901 1.00 33.55 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -16.642 -12.817 16.082 1.00 33.78 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -17.798 -13.171 15.862 1.00 32.66 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -15.057 -13.835 14.442 1.00 32.78 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -16.330 -11.592 16.491 1.00 34.68 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -17.368 -10.589 16.730 1.00 35.71 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? -18.019 -10.127 15.427 1.00 32.96 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? -19.192 -9.767 15.416 1.00 32.26 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? -16.805 -9.405 17.514 1.00 38.64 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? -16.424 -9.754 18.944 1.00 41.97 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? -16.002 -8.529 19.746 1.00 45.41 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? -17.130 -7.628 20.007 1.00 49.12 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? -17.267 -6.385 19.535 1.00 52.19 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? -16.338 -5.825 18.760 1.00 53.52 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? -18.351 -5.683 19.855 1.00 53.58 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -17.264 -10.151 14.332 1.00 31.83 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? -17.832 -9.904 13.003 1.00 30.68 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -17.156 -10.757 11.937 1.00 28.74 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -16.022 -11.213 12.111 1.00 27.86 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? -17.730 -8.422 12.627 1.00 32.53 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? -16.318 -7.866 12.692 1.00 33.61 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? -16.171 -6.543 11.955 1.00 35.15 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? -14.762 -6.153 11.897 1.00 36.92 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? -14.284 -5.059 11.303 1.00 38.24 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? -15.091 -4.194 10.693 1.00 37.97 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? -12.975 -4.828 11.326 1.00 39.25 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -17.869 -10.969 10.838 1.00 26.85 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -17.340 -11.713 9.709 1.00 26.97 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -17.343 -10.827 8.486 1.00 25.98 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? -18.384 -10.267 8.124 1.00 25.65 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -18.179 -12.953 9.416 1.00 27.54 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -17.699 -13.708 8.188 1.00 27.95 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -18.402 -15.038 8.026 1.00 28.97 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -19.785 -14.870 7.432 1.00 29.74 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -20.481 -16.185 7.390 1.00 30.94 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -16.179 -10.712 7.857 1.00 24.36 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -16.043 -10.002 6.600 1.00 23.80 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -15.788 -11.010 5.494 1.00 23.40 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -14.923 -11.881 5.617 1.00 23.55 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -14.893 -8.974 6.647 1.00 23.80 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? -15.270 -7.824 7.587 1.00 24.15 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -14.596 -8.453 5.243 1.00 23.83 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? -14.152 -6.841 7.884 1.00 24.63 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -16.557 -10.897 4.421 1.00 22.36 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -16.289 -11.645 3.213 1.00 22.71 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -15.413 -10.778 2.321 1.00 23.15 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -15.794 -9.668 1.957 1.00 22.39 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -17.589 -12.008 2.482 1.00 22.74 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -18.441 -12.731 3.378 1.00 22.46 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -17.309 -12.850 1.265 1.00 22.69 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -14.240 -11.296 1.975 1.00 23.10 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -13.305 -10.576 1.121 1.00 24.12 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -13.933 -10.380 -0.254 1.00 24.63 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -14.759 -11.197 -0.673 1.00 25.00 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -11.993 -11.351 0.991 1.00 23.71 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -11.217 -11.571 2.292 1.00 24.21 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -10.113 -12.598 2.090 1.00 23.96 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -10.648 -10.264 2.822 1.00 24.53 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -13.549 -9.303 -0.964 1.00 24.29 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -14.161 -9.003 -2.266 1.00 25.16 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -13.517 -9.761 -3.439 1.00 25.34 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -13.432 -9.235 -4.553 1.00 26.66 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? -13.950 -7.490 -2.394 1.00 24.74 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? -12.668 -7.238 -1.672 1.00 24.61 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -12.558 -8.278 -0.582 1.00 24.82 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -13.071 -10.989 -3.181 1.00 24.58 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -12.549 -11.875 -4.214 1.00 23.95 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -12.555 -13.314 -3.706 1.00 24.36 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -12.590 -13.565 -2.493 1.00 23.03 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -11.119 -11.474 -4.635 1.00 23.31 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -10.277 -10.931 -3.499 1.00 22.41 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -9.739 -11.777 -2.534 1.00 21.97 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -10.037 -9.563 -3.381 1.00 22.14 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -8.983 -11.276 -1.482 1.00 21.79 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -9.278 -9.052 -2.337 1.00 21.67 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -8.754 -9.909 -1.391 1.00 21.37 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -8.006 -9.404 -0.352 1.00 20.70 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -12.525 -14.250 -4.649 1.00 24.84 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -12.311 -15.660 -4.345 1.00 25.90 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -10.818 -15.910 -4.130 1.00 26.16 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -9.993 -15.015 -4.343 1.00 26.33 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -12.825 -16.526 -5.486 1.00 26.70 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -12.034 -16.336 -6.639 1.00 27.85 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -10.472 -17.128 -3.724 1.00 26.71 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -9.106 -17.445 -3.311 1.00 27.52 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -8.181 -17.919 -4.413 1.00 28.71 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -7.025 -18.247 -4.159 1.00 28.92 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -8.675 -17.958 -5.644 1.00 29.59 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -7.881 -18.481 -6.743 1.00 30.86 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -6.857 -17.455 -7.257 1.00 29.80 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -7.097 -16.243 -7.222 1.00 28.61 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -8.803 -18.993 -7.849 1.00 32.79 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -9.552 -17.892 -8.541 1.00 33.96 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.593 -17.452 -8.068 1.00 37.89 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -9.040 -17.455 -9.681 1.00 34.66 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -5.706 -17.953 -7.702 1.00 28.59 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -4.571 -17.101 -8.068 1.00 28.56 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -4.931 -15.973 -9.042 1.00 29.07 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -4.487 -14.841 -8.864 1.00 27.87 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -3.435 -17.937 -8.666 1.00 28.35 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -2.576 -18.701 -7.673 1.00 28.11 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -2.091 -18.092 -6.522 1.00 27.77 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -2.204 -20.025 -7.918 1.00 28.47 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -1.286 -18.781 -5.629 1.00 28.04 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -1.400 -20.724 -7.028 1.00 27.71 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -0.942 -20.095 -5.886 1.00 27.46 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -0.136 -20.768 -4.997 1.00 26.77 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -5.719 -16.287 -10.068 1.00 30.32 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -6.150 -15.283 -11.053 1.00 32.43 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -6.834 -14.093 -10.381 1.00 31.29 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -6.458 -12.948 -10.614 1.00 31.06 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -7.071 -15.912 -12.121 1.00 35.19 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -8.077 -14.971 -12.784 1.00 38.13 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -9.218 -15.709 -13.480 1.00 40.79 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -9.491 -15.400 -14.658 1.00 42.30 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -9.854 -16.590 -12.850 1.00 43.10 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -7.830 -14.369 -9.544 1.00 31.04 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -8.598 -13.304 -8.901 1.00 31.03 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -7.771 -12.534 -7.881 1.00 28.82 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -7.904 -11.319 -7.773 1.00 27.71 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -9.863 -13.855 -8.236 1.00 33.11 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -10.867 -14.458 -9.207 1.00 35.62 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -11.431 -13.430 -10.175 1.00 38.14 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -12.328 -14.049 -11.148 1.00 41.80 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -12.886 -13.414 -12.179 1.00 43.73 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -13.688 -14.079 -13.005 1.00 44.15 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -12.648 -12.122 -12.392 1.00 44.12 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -6.926 -13.239 -7.130 1.00 27.03 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -6.044 -12.583 -6.161 1.00 25.60 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -5.054 -11.648 -6.850 1.00 25.23 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -4.823 -10.529 -6.388 1.00 24.91 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -5.288 -13.620 -5.327 1.00 24.98 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -6.117 -14.341 -4.264 1.00 24.49 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -5.338 -15.513 -3.691 1.00 24.36 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -6.516 -13.379 -3.155 1.00 24.64 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -4.479 -12.110 -7.956 1.00 25.44 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -3.527 -11.313 -8.736 1.00 25.74 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -4.170 -10.040 -9.291 1.00 26.44 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -3.554 -8.974 -9.279 1.00 26.06 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -2.930 -12.157 -9.867 1.00 26.15 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -1.902 -13.177 -9.373 1.00 26.14 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -1.340 -14.108 -10.444 1.00 26.59 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -0.390 -14.855 -10.177 1.00 26.69 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -1.908 -14.080 -11.646 1.00 26.27 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -5.413 -10.150 -9.756 1.00 27.49 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -6.156 -8.982 -10.243 1.00 28.56 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -6.419 -7.998 -9.105 1.00 28.13 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -6.203 -6.795 -9.260 1.00 27.38 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -7.461 -9.400 -10.961 1.00 29.97 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -7.100 -9.994 -12.328 1.00 31.12 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -8.409 -8.212 -11.125 1.00 30.50 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -8.262 -10.577 -13.101 1.00 32.15 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -6.859 -8.511 -7.958 1.00 27.81 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -7.085 -7.671 -6.784 1.00 28.29 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -5.792 -7.023 -6.298 1.00 28.40 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -5.789 -5.860 -5.896 1.00 28.95 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -7.726 -8.478 -5.664 1.00 28.05 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.697 -7.775 -6.341 1.00 28.41 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -3.401 -7.276 -5.889 1.00 28.53 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -2.781 -6.287 -6.875 1.00 29.51 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -1.954 -5.461 -6.489 1.00 29.02 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -2.450 -8.435 -5.641 1.00 28.49 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -3.179 -6.374 -8.142 1.00 30.49 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -2.642 -5.502 -9.184 1.00 31.71 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -1.300 -5.960 -9.731 1.00 32.88 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -0.588 -5.185 -10.365 1.00 33.18 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -0.946 -7.218 -9.488 1.00 33.30 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? 0.291 -7.772 -10.026 1.00 33.55 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? 0.264 -9.299 -10.033 1.00 31.78 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -0.376 -9.914 -9.178 1.00 29.93 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? 1.503 -7.262 -9.239 1.00 35.40 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? 1.314 -7.217 -7.732 1.00 36.78 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? 2.588 -6.796 -7.015 1.00 38.88 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? 2.929 -5.333 -7.260 1.00 40.88 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? 4.181 -4.924 -6.563 1.00 42.33 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? 0.942 -9.915 -11.016 1.00 30.98 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? 1.079 -11.364 -10.999 1.00 30.63 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? 2.073 -11.764 -9.925 1.00 30.00 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? 2.972 -10.992 -9.596 1.00 29.52 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? 1.636 -11.676 -12.386 1.00 30.63 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? 2.420 -10.464 -12.742 1.00 31.11 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? 1.635 -9.315 -12.172 1.00 31.19 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? 1.934 -12.965 -9.389 1.00 29.83 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? 2.826 -13.384 -8.319 1.00 30.00 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? 4.248 -13.684 -8.824 1.00 29.73 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? 5.159 -13.852 -8.025 1.00 29.52 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? 2.219 -14.541 -7.532 1.00 30.29 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? 2.121 -15.839 -8.290 1.00 29.88 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? 1.003 -16.692 -7.728 1.00 29.78 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? 1.107 -18.053 -8.234 1.00 29.62 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? 0.609 -18.482 -9.392 1.00 29.53 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -0.065 -17.667 -10.192 1.00 30.14 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? 0.782 -19.751 -9.747 1.00 28.46 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? 4.443 -13.701 -10.144 1.00 30.34 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? 5.790 -13.643 -10.730 1.00 31.20 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? 6.590 -12.447 -10.209 1.00 29.97 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? 7.811 -12.493 -10.149 1.00 30.20 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? 5.725 -13.531 -12.261 1.00 32.97 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? 5.510 -14.848 -12.991 1.00 34.75 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? 4.060 -15.291 -13.031 1.00 35.81 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? 3.230 -14.748 -12.269 1.00 36.19 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? 3.754 -16.199 -13.830 1.00 37.51 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? 5.889 -11.377 -9.851 1.00 30.32 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? 6.514 -10.121 -9.461 1.00 31.28 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? 6.447 -9.862 -7.959 1.00 29.59 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? 6.908 -8.818 -7.500 1.00 29.27 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? 5.828 -8.972 -10.201 1.00 33.34 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? 5.860 -9.118 -11.713 1.00 36.13 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? 7.154 -8.580 -12.299 1.00 38.50 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? 7.037 -7.098 -12.620 1.00 40.83 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? 6.149 -6.839 -13.792 1.00 42.54 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? 5.878 -10.798 -7.198 1.00 27.43 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? 5.735 -10.637 -5.750 1.00 26.05 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? 6.786 -11.490 -5.039 1.00 25.45 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? 6.742 -12.721 -5.122 1.00 24.69 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? 4.327 -11.043 -5.255 1.00 25.85 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? 3.249 -10.238 -5.988 1.00 26.04 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? 4.206 -10.821 -3.748 1.00 25.25 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? 1.830 -10.679 -5.683 1.00 26.08 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? 7.740 -10.841 -4.342 1.00 24.89 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? 8.722 -11.607 -3.575 1.00 24.56 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? 8.069 -12.469 -2.503 1.00 23.86 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? 7.082 -12.061 -1.885 1.00 23.87 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? 9.597 -10.529 -2.923 1.00 24.51 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? 9.395 -9.309 -3.743 1.00 25.12 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? 8.000 -9.391 -4.281 1.00 24.92 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? 8.611 -13.662 -2.308 1.00 23.27 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? 8.176 -14.537 -1.234 1.00 22.86 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? 9.396 -14.937 -0.422 1.00 22.36 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? 10.532 -14.700 -0.832 1.00 22.17 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? 7.409 -15.774 -1.758 1.00 23.07 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? 8.270 -16.600 -2.721 1.00 23.55 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? 6.122 -15.331 -2.435 1.00 23.09 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? 7.583 -17.846 -3.251 1.00 23.68 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? 9.147 -15.528 0.738 1.00 22.12 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? 10.198 -15.820 1.702 1.00 22.00 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? 9.628 -15.672 3.093 1.00 21.85 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? 8.443 -15.362 3.254 1.00 21.51 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? 10.458 -15.898 4.105 1.00 21.36 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? 9.997 -15.769 5.484 1.00 21.53 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? 9.755 -14.307 5.878 1.00 21.13 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? 8.783 -14.022 6.575 1.00 20.97 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? 10.945 -16.476 6.461 1.00 21.81 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? 11.057 -18.002 6.298 1.00 22.02 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? 11.938 -18.600 7.387 1.00 21.98 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? 9.690 -18.669 6.313 1.00 22.57 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? 10.617 -13.373 5.424 1.00 20.78 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? 10.288 -11.964 5.674 1.00 20.45 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? 8.951 -11.546 5.050 1.00 20.53 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? 8.160 -10.854 5.692 1.00 20.18 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? 11.465 -11.214 5.038 1.00 20.83 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? 12.602 -12.177 5.134 1.00 20.94 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? 11.977 -13.519 4.869 1.00 20.71 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? 8.693 -11.986 3.820 1.00 20.45 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? 7.431 -11.679 3.148 1.00 20.72 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? 6.247 -12.260 3.928 1.00 20.57 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? 5.194 -11.633 4.011 1.00 19.33 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? 7.438 -12.196 1.716 1.00 20.83 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? 6.427 -13.442 4.516 1.00 21.14 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? 5.368 -14.063 5.319 1.00 22.18 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? 5.086 -13.244 6.576 1.00 23.74 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? 3.928 -13.033 6.933 1.00 23.70 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? 5.719 -15.507 5.687 1.00 22.14 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? 4.690 -16.294 6.520 1.00 22.41 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? 3.283 -16.237 5.935 1.00 22.42 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? 5.140 -17.739 6.655 1.00 22.60 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? 6.148 -12.782 7.233 1.00 25.08 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? 6.021 -11.855 8.360 1.00 26.86 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? 5.176 -10.632 7.976 1.00 26.15 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? 4.261 -10.256 8.710 1.00 25.37 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? 7.409 -11.409 8.837 1.00 28.66 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? 7.361 -10.612 10.128 1.00 30.31 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? 6.571 -10.956 11.022 1.00 31.45 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? 8.130 -9.644 10.256 1.00 33.51 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? 5.482 -10.038 6.820 1.00 26.34 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? 4.707 -8.911 6.272 1.00 27.31 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? 3.249 -9.285 6.036 1.00 25.78 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? 2.347 -8.501 6.338 1.00 25.77 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? 5.260 -8.443 4.909 1.00 28.31 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? 6.657 -8.179 5.020 1.00 31.77 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? 4.562 -7.192 4.420 1.00 28.92 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? 3.033 -10.463 5.455 1.00 24.52 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? 1.690 -10.917 5.102 1.00 23.76 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? 0.818 -11.008 6.347 1.00 23.23 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -0.304 -10.501 6.368 1.00 22.10 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? 1.749 -12.266 4.393 1.00 23.81 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? 1.352 -11.637 7.389 1.00 22.73 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? 0.628 -11.797 8.643 1.00 22.90 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? 0.257 -10.420 9.171 1.00 23.51 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -0.901 -10.172 9.513 1.00 23.76 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? 1.462 -12.561 9.699 1.00 22.40 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? 1.703 -14.003 9.243 1.00 22.20 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? 0.755 -12.557 11.049 1.00 22.45 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? 2.887 -14.681 9.898 1.00 22.31 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? 1.240 -9.523 9.204 1.00 24.14 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? 1.031 -8.166 9.700 1.00 24.91 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -0.050 -7.435 8.912 1.00 25.03 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -0.910 -6.786 9.496 1.00 25.86 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? 2.338 -7.376 9.665 1.00 25.72 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? 3.296 -7.989 10.508 1.00 26.50 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -0.007 -7.556 7.588 1.00 24.28 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -1.011 -6.949 6.723 1.00 23.97 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -2.413 -7.455 7.032 1.00 23.71 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -3.364 -6.679 7.093 1.00 22.61 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -0.707 -7.235 5.242 1.00 24.00 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? 0.466 -6.511 4.860 1.00 23.92 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -1.874 -6.816 4.342 1.00 24.49 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -2.533 -8.763 7.222 1.00 23.91 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -3.834 -9.381 7.416 1.00 24.35 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -4.438 -9.068 8.786 1.00 24.80 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.631 -9.277 8.986 1.00 24.11 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -3.743 -10.895 7.190 1.00 24.11 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -3.342 -11.332 5.777 1.00 24.18 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -3.195 -12.846 5.737 1.00 24.51 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -4.335 -10.863 4.720 1.00 24.44 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -3.625 -8.562 9.715 1.00 26.14 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -4.117 -8.150 11.036 1.00 27.79 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -5.142 -7.018 10.966 1.00 29.29 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -6.027 -6.935 11.822 1.00 30.22 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -2.963 -7.709 11.947 1.00 28.32 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -2.005 -8.793 12.450 1.00 29.06 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -0.733 -8.168 13.001 1.00 30.02 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -2.664 -9.657 13.508 1.00 29.57 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -5.010 -6.138 9.975 1.00 29.98 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -5.965 -5.044 9.801 1.00 31.10 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -6.453 -4.974 8.371 1.00 29.67 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -5.666 -4.941 7.428 1.00 30.61 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -5.363 -3.713 10.240 1.00 32.67 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -4.931 -3.711 11.672 1.00 34.39 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -3.607 -3.766 12.050 1.00 35.83 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -5.652 -3.721 12.818 1.00 35.39 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -3.529 -3.782 13.369 1.00 35.99 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -4.755 -3.758 13.860 1.00 36.38 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -7.771 -4.938 8.232 1.00 28.15 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -8.410 -5.114 6.947 1.00 26.57 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? -7.997 -4.061 5.930 1.00 26.54 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? -8.112 -2.859 6.176 1.00 25.38 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? -9.926 -5.104 7.113 1.00 25.77 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? -10.653 -5.283 5.810 1.00 24.84 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -10.456 -6.417 5.034 1.00 24.77 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? -11.521 -4.313 5.344 1.00 24.48 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -11.119 -6.586 3.835 1.00 24.06 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? -12.184 -4.468 4.145 1.00 24.54 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? -11.983 -5.609 3.397 1.00 24.19 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? -12.647 -5.762 2.209 1.00 23.37 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -7.527 -4.542 4.785 1.00 26.51 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? -7.208 -3.719 3.632 1.00 27.08 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -7.232 -4.698 2.458 1.00 25.84 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -6.283 -5.448 2.272 1.00 25.01 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? -5.827 -3.076 3.820 1.00 28.65 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? -5.385 -2.230 2.630 1.00 30.85 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? -5.749 -2.530 1.474 1.00 30.80 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? -4.627 -1.261 2.858 1.00 35.15 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? -8.322 -4.711 1.692 1.00 25.13 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -8.564 -5.798 0.729 1.00 24.86 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -7.529 -5.873 -0.393 1.00 24.48 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -7.163 -6.966 -0.818 1.00 23.44 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? -9.978 -5.730 0.140 1.00 24.75 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? -10.135 -4.631 -0.731 1.00 24.68 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -7.054 -4.720 -0.862 1.00 24.12 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -6.017 -4.692 -1.902 1.00 23.87 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -4.701 -5.233 -1.362 1.00 22.85 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -4.089 -6.088 -1.984 1.00 23.21 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? -5.801 -3.274 -2.463 1.00 24.30 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? -7.016 -2.822 -3.063 1.00 25.37 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -4.686 -3.251 -3.516 1.00 24.52 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -4.274 -4.739 -0.204 1.00 22.02 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -3.053 -5.241 0.433 1.00 21.33 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -3.190 -6.715 0.820 1.00 20.71 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -2.235 -7.482 0.701 1.00 20.55 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.705 -4.408 1.656 1.00 20.94 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -4.376 -7.106 1.284 1.00 20.39 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -4.624 -8.488 1.693 1.00 20.38 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -4.462 -9.480 0.540 1.00 20.56 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -3.998 -10.603 0.745 1.00 20.56 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -6.009 -8.620 2.310 1.00 19.91 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -4.845 -9.080 -0.670 1.00 21.16 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -4.704 -9.964 -1.833 1.00 20.95 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -3.242 -10.370 -2.040 1.00 21.15 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -2.937 -11.553 -2.254 1.00 20.80 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.264 -9.299 -3.082 1.00 21.32 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -2.343 -9.391 -1.961 1.00 20.91 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -0.908 -9.643 -2.063 1.00 20.61 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -0.391 -10.498 -0.918 1.00 20.65 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? 0.384 -11.427 -1.133 1.00 20.44 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -0.844 -10.202 0.298 1.00 20.13 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -0.444 -10.974 1.472 1.00 19.93 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -0.903 -12.431 1.353 1.00 19.58 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -0.177 -13.352 1.721 1.00 18.79 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -1.001 -10.345 2.737 1.00 20.07 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -2.106 -12.631 0.825 1.00 19.74 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -2.661 -13.965 0.685 1.00 20.25 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -1.911 -14.769 -0.378 1.00 20.21 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -1.707 -15.970 -0.214 1.00 19.93 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -4.168 -13.898 0.402 1.00 20.48 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -4.999 -13.491 1.631 1.00 20.55 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -6.381 -13.006 1.218 1.00 20.78 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -5.112 -14.631 2.628 1.00 20.69 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -1.479 -14.108 -1.452 1.00 20.34 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -0.631 -14.762 -2.450 1.00 20.13 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? 0.671 -15.253 -1.826 1.00 20.11 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? 1.126 -16.362 -2.126 1.00 19.10 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -0.335 -13.826 -3.626 1.00 20.27 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -1.517 -13.603 -4.565 1.00 20.17 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -1.238 -12.464 -5.531 1.00 20.93 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -1.847 -14.875 -5.327 1.00 20.11 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? 1.257 -14.439 -0.950 1.00 20.00 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? 2.462 -14.837 -0.228 1.00 20.61 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? 2.150 -15.985 0.725 1.00 21.00 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? 2.894 -16.969 0.793 1.00 21.68 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? 3.068 -13.666 0.578 1.00 20.65 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? 4.187 -14.150 1.489 1.00 20.70 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? 3.580 -12.581 -0.362 1.00 20.77 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? 1.053 -15.844 1.465 1.00 20.91 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? 0.656 -16.827 2.467 1.00 21.61 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? 0.392 -18.200 1.856 1.00 21.45 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? 0.854 -19.212 2.379 1.00 20.50 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -0.595 -16.349 3.202 1.00 22.52 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -1.246 -17.353 4.154 1.00 23.19 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -0.392 -17.536 5.395 1.00 24.11 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -2.649 -16.896 4.516 1.00 23.85 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -0.360 -18.219 0.758 1.00 21.24 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -0.718 -19.466 0.077 1.00 21.67 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 0.538 -20.205 -0.368 1.00 21.68 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 0.657 -21.419 -0.182 1.00 21.52 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -1.646 -19.205 -1.134 1.00 22.43 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -3.052 -18.843 -0.644 1.00 22.98 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -1.726 -20.430 -2.043 1.00 22.35 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -3.927 -18.184 -1.690 1.00 23.40 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? 1.480 -19.459 -0.936 1.00 21.29 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? 2.688 -20.050 -1.488 1.00 21.51 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? 3.667 -20.548 -0.433 1.00 21.46 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? 4.332 -21.566 -0.642 1.00 21.76 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? 3.373 -19.055 -2.414 1.00 21.41 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? 2.568 -18.775 -3.668 1.00 21.21 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? 3.266 -17.791 -4.567 1.00 21.56 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? 3.145 -16.577 -4.391 1.00 22.14 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? 4.012 -18.303 -5.528 1.00 20.95 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? 3.751 -19.838 0.691 1.00 20.97 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? 4.691 -20.185 1.754 1.00 21.22 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? 4.133 -21.216 2.731 1.00 21.50 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? 4.857 -21.678 3.617 1.00 21.93 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? 5.131 -18.946 2.567 1.00 20.69 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? 3.988 -18.304 3.138 1.00 20.34 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? 5.892 -17.962 1.700 1.00 20.53 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? 2.856 -21.560 2.592 1.00 21.75 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? 2.257 -22.602 3.417 1.00 22.12 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? 1.805 -23.759 2.531 1.00 22.02 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? 2.530 -24.748 2.400 1.00 22.05 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? 1.103 -22.064 4.289 1.00 22.20 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? 0.058 -21.533 3.461 1.00 22.20 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? 1.616 -20.979 5.235 1.00 22.36 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? 0.639 -23.616 1.902 1.00 21.62 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? 0.041 -24.685 1.101 1.00 21.49 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? 0.972 -25.217 0.016 1.00 21.52 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? 1.173 -26.430 -0.089 1.00 21.21 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -1.266 -24.214 0.473 1.00 21.76 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? 1.541 -24.326 -0.790 1.00 21.26 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? 2.343 -24.772 -1.933 1.00 21.68 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? 3.628 -25.457 -1.481 1.00 21.38 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? 4.059 -26.433 -2.096 1.00 20.58 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? 2.647 -23.625 -2.901 1.00 22.10 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? 1.411 -22.947 -3.478 1.00 22.78 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? 0.643 -23.797 -4.485 1.00 23.64 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? 0.870 -25.027 -4.573 1.00 23.79 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -0.200 -23.220 -5.203 1.00 23.49 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? 4.219 -24.962 -0.395 1.00 21.13 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? 5.387 -25.608 0.206 1.00 21.64 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? 5.045 -26.986 0.780 1.00 21.72 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? 5.851 -27.912 0.694 1.00 22.60 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? 5.994 -24.723 1.282 1.00 21.69 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? 3.858 -27.126 1.364 1.00 21.55 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? 3.401 -28.437 1.827 1.00 21.62 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? 3.276 -29.411 0.649 1.00 21.96 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? 3.640 -30.577 0.766 1.00 21.73 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? 2.079 -28.320 2.566 1.00 21.30 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? 2.784 -28.921 -0.485 1.00 21.90 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? 2.561 -29.772 -1.662 1.00 22.79 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? 3.825 -30.218 -2.384 1.00 23.13 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? 3.853 -31.310 -2.960 1.00 23.06 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? 1.670 -29.053 -2.666 1.00 22.94 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? 0.232 -28.918 -2.224 1.00 23.36 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -0.454 -27.877 -3.081 1.00 24.48 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -1.853 -27.669 -2.726 1.00 25.44 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -2.539 -26.565 -3.024 1.00 26.48 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -1.953 -25.569 -3.676 1.00 27.33 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -3.811 -26.447 -2.666 1.00 26.38 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? 4.849 -29.366 -2.383 1.00 23.44 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? 6.074 -29.613 -3.137 1.00 24.07 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? 7.311 -29.329 -2.306 1.00 24.73 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? 7.507 -28.202 -1.837 1.00 23.90 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? 6.132 -28.719 -4.372 1.00 24.15 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? 5.052 -28.982 -5.369 1.00 23.64 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? 5.164 -30.033 -6.266 1.00 23.97 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? 3.931 -28.161 -5.432 1.00 23.85 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? 4.171 -30.273 -7.198 1.00 23.61 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? 2.935 -28.396 -6.363 1.00 23.79 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? 3.057 -29.455 -7.248 1.00 23.74 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? 8.163 -30.339 -2.159 1.00 25.68 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? 9.407 -30.186 -1.411 1.00 26.98 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? 10.305 -29.115 -2.034 1.00 25.36 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? 10.993 -28.388 -1.318 1.00 23.37 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? 10.152 -31.523 -1.321 1.00 29.70 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? 11.295 -31.523 -0.314 1.00 32.78 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? 11.580 -32.921 0.223 1.00 35.87 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? 10.608 -33.306 1.332 1.00 37.73 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? 10.810 -34.707 1.802 1.00 39.97 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? 10.288 -29.012 -3.361 1.00 24.42 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? 11.058 -27.983 -4.056 1.00 24.54 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? 10.656 -26.581 -3.585 1.00 23.67 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? 11.518 -25.724 -3.376 1.00 22.64 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? 10.890 -28.106 -5.577 1.00 25.33 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? 11.483 -26.952 -6.362 1.00 26.06 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? 12.837 -26.929 -6.695 1.00 26.84 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? 10.690 -25.883 -6.770 1.00 26.00 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? 13.383 -25.873 -7.410 1.00 26.87 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? 11.226 -24.822 -7.479 1.00 26.24 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? 12.572 -24.822 -7.799 1.00 26.70 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? 13.103 -23.775 -8.508 1.00 26.76 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? 9.355 -26.353 -3.406 1.00 22.52 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? 8.866 -25.031 -3.005 1.00 22.42 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? 9.235 -24.747 -1.550 1.00 22.66 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? 9.671 -23.641 -1.230 1.00 21.84 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? 7.351 -24.864 -3.268 1.00 22.15 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? 7.101 -24.900 -4.783 1.00 22.47 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? 6.839 -23.556 -2.670 1.00 22.34 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? 5.650 -24.776 -5.205 1.00 22.34 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? 9.084 -25.751 -0.688 1.00 22.95 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? 9.569 -25.666 0.690 1.00 23.80 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? 11.033 -25.224 0.705 1.00 24.80 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? 11.395 -24.291 1.418 1.00 25.12 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? 9.425 -27.014 1.405 1.00 24.05 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? 10.108 -27.078 2.764 1.00 24.31 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? 10.019 -28.443 3.424 1.00 24.97 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? 9.626 -29.430 2.766 1.00 25.01 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? 10.358 -28.524 4.618 1.00 25.67 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? 11.857 -25.902 -0.091 1.00 25.87 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? 13.281 -25.572 -0.219 1.00 27.43 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? 13.518 -24.147 -0.723 1.00 26.22 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? 14.409 -23.454 -0.233 1.00 25.45 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? 13.978 -26.576 -1.139 1.00 29.49 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? 14.121 -27.955 -0.513 1.00 31.62 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? 14.504 -29.028 -1.515 1.00 34.57 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? 14.350 -28.856 -2.727 1.00 37.07 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? 15.000 -30.150 -1.011 1.00 36.38 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? 12.718 -23.709 -1.691 1.00 25.67 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? 12.819 -22.341 -2.193 1.00 25.93 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? 12.571 -21.321 -1.080 1.00 24.95 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? 13.272 -20.316 -1.001 1.00 24.36 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? 11.855 -22.105 -3.361 1.00 26.63 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? 12.242 -22.841 -4.633 1.00 27.40 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? 13.512 -22.302 -5.261 1.00 28.74 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? 14.561 -22.957 -5.239 1.00 30.26 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? 13.431 -21.101 -5.815 1.00 28.57 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? 11.588 -21.591 -0.220 1.00 24.44 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? 11.270 -20.692 0.898 1.00 24.44 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? 12.393 -20.728 1.936 1.00 25.12 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? 12.780 -19.690 2.477 1.00 25.24 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? 9.925 -21.043 1.579 1.00 24.06 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? 8.773 -21.079 0.564 1.00 24.33 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? 9.605 -20.049 2.691 1.00 23.93 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? 8.696 -19.875 -0.348 1.00 24.31 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? 12.920 -21.920 2.201 1.00 25.52 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? 14.061 -22.069 3.109 1.00 25.99 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? 15.265 -21.263 2.634 1.00 26.44 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? 15.994 -20.705 3.450 1.00 26.88 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? 14.437 -23.543 3.269 1.00 26.62 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? 13.426 -24.324 4.089 1.00 26.85 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? 13.708 -25.815 4.107 1.00 27.66 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? 13.966 -26.423 3.068 1.00 28.39 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? 13.651 -26.412 5.288 1.00 27.92 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? 15.458 -21.196 1.317 1.00 26.56 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? 16.504 -20.364 0.717 1.00 27.13 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? 16.223 -18.866 0.890 1.00 26.01 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? 17.142 -18.051 0.828 1.00 24.83 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? 16.661 -20.688 -0.774 1.00 29.21 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? 17.228 -22.075 -1.044 1.00 31.44 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? 17.421 -22.369 -2.525 1.00 33.49 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? 17.878 -23.485 -2.846 1.00 35.75 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? 17.120 -21.495 -3.369 1.00 35.63 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? 14.952 -18.523 1.105 1.00 24.57 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? 14.513 -17.146 1.306 1.00 23.88 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? 14.175 -16.867 2.771 1.00 23.45 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? 13.258 -16.099 3.071 1.00 23.47 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? 13.280 -16.884 0.442 1.00 23.58 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? 13.529 -17.021 -1.047 1.00 24.22 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? 12.248 -17.345 -1.799 1.00 24.38 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? 12.377 -17.108 -3.232 1.00 24.44 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? 13.088 -17.861 -4.071 1.00 24.97 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? 13.755 -18.927 -3.639 1.00 24.61 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? 13.133 -17.542 -5.359 1.00 24.81 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? 14.919 -17.486 3.680 1.00 23.30 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? 14.658 -17.354 5.108 1.00 23.18 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? 14.910 -15.937 5.618 1.00 23.38 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? 14.229 -15.492 6.524 1.00 23.03 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? 15.498 -18.348 5.894 1.00 22.95 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? 15.893 -15.247 5.045 1.00 24.35 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? 16.267 -13.901 5.498 1.00 25.56 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? 16.331 -12.870 4.369 1.00 25.67 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? 16.752 -11.734 4.593 1.00 25.50 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? 17.617 -13.943 6.228 1.00 26.73 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? 17.777 -15.123 7.161 1.00 27.44 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? 17.015 -15.229 8.319 1.00 27.75 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? 18.690 -16.136 6.881 1.00 28.45 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? 17.159 -16.308 9.174 1.00 28.48 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? 18.838 -17.220 7.728 1.00 28.96 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? 18.070 -17.302 8.872 1.00 28.85 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? 18.221 -18.378 9.716 1.00 29.59 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? 15.915 -13.269 3.169 1.00 25.91 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? 15.853 -12.387 2.010 1.00 26.85 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? 14.762 -12.899 1.080 1.00 26.15 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? 14.825 -14.041 0.616 1.00 25.38 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? 17.188 -12.373 1.261 1.00 28.51 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? 17.203 -11.457 0.041 1.00 30.51 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? 18.504 -11.568 -0.734 1.00 32.40 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? 18.700 -12.918 -1.258 1.00 34.84 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? 19.823 -13.365 -1.817 1.00 37.20 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? 20.884 -12.575 -1.943 1.00 38.34 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? 19.885 -14.619 -2.254 1.00 38.59 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? 13.765 -12.061 0.813 1.00 25.18 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? 12.696 -12.421 -0.109 1.00 25.26 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? 13.216 -12.415 -1.535 1.00 25.43 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? 14.158 -11.695 -1.863 1.00 24.54 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? 11.526 -11.436 -0.016 1.00 25.18 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? 10.811 -11.494 1.314 1.00 24.81 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? 10.744 -12.579 1.924 1.00 25.20 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? 10.291 -10.448 1.746 1.00 25.05 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? 12.590 -13.223 -2.378 1.00 25.59 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? 12.864 -13.208 -3.803 1.00 26.56 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? 11.632 -13.734 -4.518 1.00 25.82 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? 10.942 -14.626 -4.010 1.00 24.37 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? 14.098 -14.058 -4.126 1.00 28.15 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? 14.472 -14.089 -5.604 1.00 29.82 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? 15.718 -14.910 -5.892 1.00 31.24 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? 16.536 -15.124 -4.971 1.00 32.47 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? 15.881 -15.340 -7.053 1.00 33.85 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? 11.333 -13.162 -5.680 1.00 25.36 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? 10.211 -13.649 -6.471 1.00 25.53 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? 10.397 -15.143 -6.715 1.00 24.75 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? 11.530 -15.622 -6.807 1.00 23.82 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? 10.037 -12.906 -7.815 1.00 25.75 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? 9.605 -11.464 -7.577 1.00 26.36 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? 11.302 -12.974 -8.666 1.00 26.34 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? 9.287 -15.891 -6.787 1.00 25.06 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? 9.385 -17.331 -7.025 1.00 25.39 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? 10.025 -17.644 -8.370 1.00 26.02 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? 9.842 -16.890 -9.325 1.00 25.85 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? 7.924 -17.795 -7.021 1.00 25.14 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? 7.114 -16.569 -7.240 1.00 25.24 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? 7.893 -15.449 -6.630 1.00 24.90 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? 10.770 -18.745 -8.438 1.00 26.74 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? 11.293 -19.232 -9.712 1.00 27.31 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? 10.143 -19.620 -10.641 1.00 27.59 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? 9.027 -19.881 -10.190 1.00 26.38 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? 12.220 -20.433 -9.492 1.00 27.61 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? 11.572 -21.475 -8.777 1.00 28.56 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? 10.411 -19.642 -11.943 1.00 28.33 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? 9.411 -20.085 -12.911 1.00 29.04 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? 8.989 -21.530 -12.632 1.00 28.07 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? 7.831 -21.894 -12.832 1.00 27.65 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? 9.952 -19.960 -14.335 1.00 30.81 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? 10.410 -18.641 -14.581 1.00 33.77 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? 9.932 -22.344 -12.164 1.00 27.55 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? 9.639 -23.724 -11.778 1.00 27.54 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? 8.613 -23.774 -10.648 1.00 26.98 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? 7.704 -24.609 -10.656 1.00 26.84 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? 10.914 -24.440 -11.366 1.00 27.67 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? 8.765 -22.875 -9.679 1.00 26.11 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? 7.810 -22.756 -8.577 1.00 25.35 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? 6.413 -22.457 -9.097 1.00 25.56 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? 5.454 -23.135 -8.736 1.00 25.10 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? 8.226 -21.644 -7.595 1.00 25.06 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? 9.437 -22.023 -6.936 1.00 25.08 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? 7.134 -21.390 -6.551 1.00 24.78 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? 6.311 -21.433 -9.940 1.00 25.52 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? 5.042 -21.055 -10.563 1.00 25.70 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? 4.442 -22.249 -11.304 1.00 25.42 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? 3.250 -22.537 -11.183 1.00 24.45 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? 5.227 -19.890 -11.568 1.00 26.01 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? 5.711 -18.609 -10.861 1.00 26.51 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? 3.937 -19.623 -12.338 1.00 26.16 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? 4.810 -18.112 -9.755 1.00 26.84 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? 5.286 -22.930 -12.071 1.00 25.94 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? 4.874 -24.080 -12.873 1.00 26.24 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? 4.285 -25.193 -12.008 1.00 24.77 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? 3.227 -25.739 -12.319 1.00 24.70 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? 6.069 -24.607 -13.668 1.00 26.71 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? 5.696 -25.684 -14.508 1.00 28.54 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? 4.972 -25.519 -10.918 1.00 24.44 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? 4.517 -26.570 -10.013 1.00 23.88 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? 3.176 -26.221 -9.382 1.00 23.49 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? 2.289 -27.073 -9.295 1.00 22.91 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? 5.561 -26.831 -8.925 1.00 24.00 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? 6.849 -27.476 -9.429 1.00 24.32 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? 7.976 -27.288 -8.425 1.00 24.94 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? 6.626 -28.948 -9.743 1.00 24.69 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? 3.029 -24.964 -8.960 1.00 23.06 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? 1.768 -24.478 -8.390 1.00 23.00 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? 0.633 -24.685 -9.376 1.00 23.20 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -0.409 -25.250 -9.039 1.00 23.69 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? 1.868 -22.989 -8.040 1.00 23.07 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? 2.835 -22.691 -6.907 1.00 22.94 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? 3.118 -21.210 -6.730 1.00 23.30 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? 2.616 -20.391 -7.525 1.00 23.76 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? 3.863 -20.871 -5.788 1.00 23.25 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? 0.856 -24.243 -10.607 1.00 23.55 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -0.147 -24.349 -11.653 1.00 24.25 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -0.462 -25.795 -12.049 1.00 24.60 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -1.546 -26.061 -12.553 1.00 25.27 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? 0.289 -23.567 -12.896 1.00 24.55 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? 0.344 -22.066 -12.663 1.00 25.19 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -0.250 -21.543 -11.719 1.00 25.33 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? 1.059 -21.364 -13.535 1.00 25.30 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? 0.469 -26.717 -11.809 1.00 24.77 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? 0.339 -28.098 -12.287 1.00 25.19 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -0.063 -29.116 -11.218 1.00 24.98 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -0.133 -30.317 -11.506 1.00 24.20 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? 1.654 -28.543 -12.925 1.00 25.59 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? 2.032 -27.666 -13.973 1.00 25.92 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -0.334 -28.654 -10.000 1.00 24.06 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -0.572 -29.574 -8.890 1.00 24.30 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -1.769 -30.485 -9.151 1.00 24.70 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -1.687 -31.694 -8.943 1.00 23.38 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -0.760 -28.820 -7.576 1.00 23.92 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -0.932 -29.735 -6.402 1.00 23.77 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -0.050 -30.674 -5.962 1.00 23.66 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -2.055 -29.793 -5.517 1.00 23.59 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -0.552 -31.316 -4.856 1.00 23.51 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -1.784 -30.796 -4.564 1.00 23.40 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -3.266 -29.098 -5.440 1.00 23.78 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -2.677 -31.119 -3.541 1.00 23.49 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -4.155 -29.419 -4.420 1.00 23.49 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -3.853 -30.421 -3.486 1.00 23.42 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -2.869 -29.894 -9.610 1.00 25.38 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -4.063 -30.650 -9.962 1.00 26.61 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -3.776 -31.642 -11.090 1.00 26.50 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -4.105 -32.825 -10.984 1.00 26.00 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -5.187 -29.699 -10.383 1.00 27.60 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -6.390 -30.414 -10.602 1.00 29.22 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -3.159 -31.152 -12.163 1.00 26.65 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -2.797 -31.991 -13.305 1.00 26.85 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -1.897 -33.152 -12.918 1.00 26.86 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -2.151 -34.296 -13.304 1.00 26.59 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -0.852 -32.857 -12.147 1.00 26.76 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? 0.080 -33.882 -11.666 1.00 26.78 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -0.608 -34.898 -10.773 1.00 26.76 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -0.407 -36.107 -10.930 1.00 26.00 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? 1.233 -33.249 -10.882 1.00 27.63 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? 2.338 -32.578 -11.691 1.00 28.14 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? 3.250 -31.782 -10.767 1.00 28.51 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? 3.133 -33.615 -12.469 1.00 28.37 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -1.403 -34.402 -9.827 1.00 26.04 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -2.151 -35.264 -8.922 1.00 25.91 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -3.025 -36.236 -9.712 1.00 27.06 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -3.044 -37.437 -9.430 1.00 26.28 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -3.009 -34.431 -7.965 1.00 25.69 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -2.198 -33.655 -7.094 1.00 24.45 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -3.718 -35.714 -10.720 1.00 27.29 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -4.584 -36.528 -11.563 1.00 28.34 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -3.793 -37.599 -12.312 1.00 27.56 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -4.162 -38.772 -12.288 1.00 27.24 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -5.337 -35.643 -12.558 1.00 30.17 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -6.386 -36.375 -13.382 1.00 31.98 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -6.979 -35.470 -14.447 1.00 33.82 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -8.270 -36.046 -15.005 1.00 35.65 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -8.700 -35.341 -16.245 1.00 37.21 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -2.707 -37.194 -12.965 1.00 27.18 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -1.924 -38.103 -13.804 1.00 27.55 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -1.194 -39.184 -13.011 1.00 26.79 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -1.036 -40.306 -13.495 1.00 26.93 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -0.925 -37.327 -14.669 1.00 27.84 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -1.568 -36.471 -15.748 1.00 28.51 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -2.487 -37.272 -16.649 1.00 29.53 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -2.173 -38.405 -17.024 1.00 29.54 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -3.634 -36.695 -16.994 1.00 30.46 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -0.746 -38.847 -11.806 1.00 25.99 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -0.134 -39.828 -10.913 1.00 25.74 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -1.170 -40.893 -10.531 1.00 26.43 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -0.867 -42.082 -10.506 1.00 26.65 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? 0.472 -39.151 -9.660 1.00 25.44 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? 1.708 -38.332 -10.053 1.00 24.99 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? 0.858 -40.183 -8.607 1.00 25.21 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? 2.146 -37.325 -9.009 1.00 24.54 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -2.395 -40.463 -10.251 1.00 27.27 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -3.489 -41.397 -9.989 1.00 27.69 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -3.888 -42.204 -11.236 1.00 28.11 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -4.125 -43.406 -11.140 1.00 28.86 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -4.694 -40.657 -9.403 1.00 27.79 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -4.540 -40.349 -7.920 1.00 27.54 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -5.458 -39.239 -7.449 1.00 27.55 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -6.555 -39.495 -6.955 1.00 27.00 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -5.017 -37.994 -7.609 1.00 26.99 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -3.946 -41.558 -12.398 1.00 28.79 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -4.272 -42.259 -13.649 1.00 29.77 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -3.196 -43.276 -14.041 1.00 30.28 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -3.478 -44.252 -14.739 1.00 29.77 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -4.485 -41.268 -14.798 1.00 30.14 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -5.689 -40.326 -14.702 1.00 30.92 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -5.724 -39.381 -15.892 1.00 31.43 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -6.995 -41.095 -14.607 1.00 31.14 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -1.967 -43.039 -13.591 1.00 30.59 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -0.858 -43.953 -13.843 1.00 31.62 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -0.996 -45.307 -13.126 1.00 32.82 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -0.357 -46.281 -13.535 1.00 32.09 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? 0.455 -43.288 -13.460 1.00 31.34 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -1.822 -45.371 -12.077 1.00 34.47 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -1.965 -46.589 -11.261 1.00 36.11 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -2.343 -47.803 -12.097 1.00 36.75 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -1.763 -48.874 -11.933 1.00 39.95 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -3.033 -46.423 -10.175 1.00 38.24 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -2.734 -45.416 -9.079 1.00 40.30 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -3.890 -45.306 -8.094 1.00 41.16 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -3.954 -46.053 -7.117 1.00 43.47 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -4.817 -44.384 -8.354 1.00 41.41 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -3.325 -47.636 -12.979 1.00 35.62 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -3.774 -48.719 -13.859 1.00 34.07 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -3.203 -48.636 -15.264 1.00 32.69 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -3.732 -49.249 -16.191 1.00 32.72 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -2.115 -47.885 -15.421 1.00 30.84 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -1.519 -47.642 -16.727 1.00 29.76 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -0.001 -47.843 -16.673 1.00 28.66 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? 0.754 -47.163 -17.367 1.00 28.87 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -1.887 -46.226 -17.195 1.00 29.72 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -1.587 -45.978 -18.667 1.00 29.67 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -1.123 -44.900 -19.033 1.00 30.04 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -1.865 -46.955 -19.517 1.00 29.67 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? 0.428 -48.796 -15.844 1.00 27.92 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? 1.840 -49.160 -15.697 1.00 28.15 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? 2.749 -47.985 -15.332 1.00 28.46 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? 3.905 -47.934 -15.745 1.00 28.10 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? 2.346 -49.848 -16.973 1.00 27.64 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? 1.641 -51.163 -17.239 1.00 27.21 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? 1.511 -51.995 -16.339 1.00 27.49 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? 1.179 -51.358 -18.467 1.00 27.05 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? 2.224 -47.046 -14.550 1.00 28.99 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? 3.005 -45.886 -14.126 1.00 29.51 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? 3.139 -44.787 -15.170 1.00 29.43 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? 3.839 -43.802 -14.937 1.00 28.73 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? 2.457 -44.937 -16.307 1.00 29.98 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? 2.534 -43.975 -17.406 1.00 29.97 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? 1.378 -42.983 -17.301 1.00 30.48 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? 0.234 -43.382 -17.082 1.00 30.71 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? 2.469 -44.684 -18.781 1.00 29.96 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? 2.508 -43.675 -19.920 1.00 29.89 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? 3.607 -45.684 -18.925 1.00 30.06 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? 1.681 -41.694 -17.458 1.00 30.90 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? 0.650 -40.651 -17.493 1.00 30.86 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -0.208 -40.825 -18.747 1.00 32.39 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? 0.322 -41.074 -19.827 1.00 32.27 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? 1.287 -39.254 -17.532 1.00 30.34 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? 1.895 -38.792 -16.224 1.00 29.22 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? 2.109 -39.660 -15.154 1.00 29.05 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? 2.277 -37.463 -16.080 1.00 29.40 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? 2.667 -39.204 -13.969 1.00 28.94 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? 2.841 -37.004 -14.899 1.00 28.91 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? 3.037 -37.875 -13.844 1.00 28.85 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -1.524 -40.686 -18.603 1.00 33.65 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -2.428 -40.684 -19.758 1.00 35.43 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -2.185 -39.452 -20.626 1.00 35.76 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -2.299 -39.515 -21.847 1.00 35.32 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -3.892 -40.699 -19.311 1.00 36.14 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -4.318 -41.967 -18.588 1.00 36.91 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -4.683 -43.077 -19.559 1.00 37.11 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -4.966 -44.328 -18.859 1.00 37.14 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -5.129 -45.512 -19.448 1.00 37.29 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -5.045 -45.634 -20.770 1.00 37.01 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -5.384 -46.582 -18.706 1.00 36.97 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -1.862 -38.336 -19.975 1.00 34.91 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -1.548 -37.086 -20.655 1.00 35.19 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -0.304 -36.479 -20.008 1.00 34.99 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -0.272 -36.314 -18.788 1.00 33.27 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -2.708 -36.083 -20.540 1.00 35.18 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -3.922 -36.699 -20.986 1.00 35.96 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -2.441 -34.841 -21.374 1.00 35.66 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? 0.728 -36.153 -20.812 1.00 35.05 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? 1.943 -35.590 -20.223 1.00 34.84 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? 1.690 -34.250 -19.544 1.00 34.47 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? 0.777 -33.520 -19.938 1.00 34.25 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? 2.876 -35.406 -21.429 1.00 35.82 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? 2.348 -36.327 -22.475 1.00 36.20 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? 0.863 -36.330 -22.270 1.00 36.32 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? 2.480 -33.952 -18.516 1.00 33.80 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? 2.416 -32.670 -17.829 1.00 33.42 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? 3.660 -31.874 -18.191 1.00 33.50 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? 4.779 -32.350 -18.006 1.00 32.30 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? 2.347 -32.848 -16.300 1.00 33.82 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? 1.093 -33.448 -15.938 1.00 34.85 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? 2.482 -31.504 -15.588 1.00 33.55 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? 3.462 -30.665 -18.708 1.00 34.44 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? 4.576 -29.796 -19.075 1.00 34.33 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? 4.949 -28.907 -17.890 1.00 33.91 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? 4.113 -28.161 -17.384 1.00 33.01 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? 4.238 -28.903 -20.285 1.00 35.35 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? 5.452 -28.079 -20.692 1.00 36.07 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? 3.760 -29.747 -21.459 1.00 36.17 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? 6.206 -28.998 -17.460 1.00 34.22 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? 6.728 -28.176 -16.375 1.00 35.27 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? 7.915 -27.351 -16.844 1.00 36.89 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? 8.566 -27.695 -17.830 1.00 37.19 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? 7.200 -29.053 -15.217 1.00 34.90 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? 6.189 -29.938 -14.498 1.00 34.81 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? 6.883 -30.602 -13.321 1.00 34.77 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? 4.989 -29.140 -14.027 1.00 34.97 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? 8.199 -26.275 -16.116 1.00 37.91 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? 9.459 -25.550 -16.252 1.00 39.12 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? 10.384 -26.039 -15.140 1.00 40.36 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? 9.984 -26.073 -13.977 1.00 38.25 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? 9.258 -24.024 -16.136 1.00 39.64 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? 10.566 -23.288 -16.411 1.00 40.23 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? 8.170 -23.554 -17.092 1.00 39.94 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? 11.610 -26.427 -15.490 1.00 42.74 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? 12.553 -26.967 -14.499 1.00 46.20 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? 13.414 -25.873 -13.850 1.00 47.95 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? 13.283 -24.692 -14.179 1.00 46.29 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? 13.420 -28.089 -15.110 1.00 47.01 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? 14.493 -27.577 -16.074 1.00 48.07 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? 14.645 -26.349 -16.250 1.00 48.76 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? 15.196 -28.425 -16.665 1.00 49.37 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? 14.283 -26.284 -12.926 1.00 51.57 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? 15.179 -25.374 -12.196 1.00 55.03 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? 15.984 -24.435 -13.094 1.00 57.37 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? 16.230 -23.281 -12.736 1.00 58.96 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? 16.156 -26.186 -11.343 1.00 56.20 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? 15.464 -27.000 -10.414 1.00 56.93 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? 16.356 -24.878 -14.273 1.00 59.01 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? 17.177 -24.057 -15.147 1.00 60.04 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? 16.365 -23.164 -16.013 1.00 58.18 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? 16.890 -22.423 -16.802 1.00 59.06 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? 18.042 -24.951 -16.042 1.00 61.97 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? 18.644 -26.120 -15.307 1.00 63.33 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? 20.134 -25.912 -15.184 1.00 64.44 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? 20.817 -27.058 -14.497 1.00 65.84 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? 22.115 -26.649 -13.887 1.00 66.88 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? 15.063 -23.248 -15.880 1.00 56.14 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? 14.152 -22.444 -16.690 1.00 54.05 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? 13.753 -23.124 -17.989 1.00 53.51 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? 13.190 -22.485 -18.879 1.00 52.71 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? 14.031 -24.424 -18.093 1.00 52.90 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? 13.727 -25.192 -19.300 1.00 52.59 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? 12.399 -25.932 -19.183 1.00 51.87 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? 12.150 -26.621 -18.193 1.00 49.21 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? 14.854 -26.184 -19.596 1.00 53.16 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? 16.146 -25.493 -19.997 1.00 53.33 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? 16.142 -24.590 -20.835 1.00 53.19 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? 17.260 -25.915 -19.404 1.00 53.69 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? 11.558 -25.784 -20.205 1.00 52.45 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? 10.237 -26.409 -20.234 1.00 53.56 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? 10.360 -27.882 -20.638 1.00 52.25 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? 10.897 -28.199 -21.700 1.00 52.26 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? 9.289 -25.622 -21.158 1.00 55.14 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? 8.115 -26.400 -21.745 1.00 57.06 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? 8.322 -26.644 -23.233 1.00 58.07 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? 7.360 -27.574 -23.825 1.00 59.07 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? 7.572 -28.874 -24.039 1.00 59.13 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? 6.612 -29.606 -24.594 1.00 58.14 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? 8.724 -29.455 -23.706 1.00 59.60 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? 9.856 -28.768 -19.778 1.00 50.58 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? 10.019 -30.218 -19.939 1.00 49.01 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? 8.697 -30.968 -19.784 1.00 46.66 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? 7.777 -30.486 -19.126 1.00 45.68 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? 11.038 -30.789 -18.926 1.00 49.14 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? 12.412 -30.176 -19.158 1.00 50.18 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? 10.584 -30.561 -17.486 1.00 49.12 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? 8.623 -32.153 -20.386 1.00 44.23 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? 7.438 -33.004 -20.301 1.00 43.09 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? 7.629 -34.089 -19.249 1.00 40.16 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? 8.638 -34.791 -19.254 1.00 38.63 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? 7.143 -33.675 -21.647 1.00 44.39 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? 6.467 -32.777 -22.673 1.00 46.19 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? 5.560 -33.543 -23.625 1.00 47.55 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? 5.718 -34.751 -23.824 1.00 47.79 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? 4.596 -32.840 -24.218 1.00 49.17 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? 6.652 -34.221 -18.356 1.00 37.77 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? 6.615 -35.321 -17.393 1.00 35.77 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? 5.637 -36.360 -17.941 1.00 35.44 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? 4.472 -36.045 -18.176 1.00 35.66 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? 6.150 -34.846 -16.000 1.00 34.83 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? 6.912 -33.583 -15.564 1.00 34.60 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? 6.318 -35.951 -14.970 1.00 34.32 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? 8.416 -33.746 -15.478 1.00 34.58 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? 6.110 -37.585 -18.160 1.00 34.94 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? 5.297 -38.618 -18.819 1.00 35.06 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? 5.020 -39.856 -17.969 1.00 34.91 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? 4.171 -40.671 -18.333 1.00 36.06 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? 5.951 -39.082 -20.134 1.00 34.97 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? 7.261 -39.598 -19.867 1.00 35.13 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? 6.042 -37.927 -21.130 1.00 35.39 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? 5.723 -40.007 -16.850 1.00 34.43 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? 5.562 -41.192 -16.012 1.00 34.93 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? 6.084 -41.001 -14.589 1.00 32.99 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? 6.748 -40.007 -14.284 1.00 32.81 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? 6.212 -42.417 -16.683 1.00 37.20 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? 7.723 -42.297 -16.820 1.00 39.32 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? 8.451 -42.425 -15.839 1.00 39.98 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? 8.199 -42.074 -18.044 1.00 43.41 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? 5.784 -41.965 -13.726 1.00 31.44 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? 6.071 -41.845 -12.293 1.00 31.22 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? 7.551 -41.971 -11.908 1.00 31.26 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? 7.886 -41.808 -10.734 1.00 30.68 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? 5.252 -42.853 -11.453 1.00 31.17 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? 3.760 -42.604 -11.629 1.00 31.24 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? 5.621 -44.297 -11.796 1.00 31.24 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? 8.430 -42.258 -12.869 1.00 31.89 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? 9.870 -42.336 -12.583 1.00 32.60 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? 10.498 -40.941 -12.477 1.00 33.44 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? 11.593 -40.800 -11.941 1.00 34.12 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? 10.658 -43.159 -13.635 1.00 32.76 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? 10.726 -42.448 -14.880 1.00 33.12 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? 10.025 -44.531 -13.849 1.00 33.00 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? 9.810 -39.921 -12.989 1.00 33.59 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? 10.308 -38.548 -12.924 1.00 34.91 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? 10.541 -38.100 -11.482 1.00 34.18 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? 9.809 -38.492 -10.569 1.00 32.10 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? 9.338 -37.587 -13.612 1.00 36.27 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? 9.611 -36.248 -13.239 1.00 38.71 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? 11.570 -37.299 -11.292 1.00 34.82 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? 11.912 -36.766 -9.998 1.00 35.65 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? 10.804 -35.928 -9.344 1.00 32.59 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? 10.722 -35.840 -8.174 1.00 31.63 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? 13.187 -35.946 -10.113 1.00 38.97 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? 14.435 -36.809 -10.202 1.00 41.74 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? 14.633 -37.717 -9.423 1.00 45.26 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? 15.274 -36.510 -11.150 1.00 44.25 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? 9.957 -35.338 -10.143 1.00 31.09 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? 8.817 -34.568 -9.637 1.00 31.00 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? 7.897 -35.484 -8.837 1.00 29.59 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? 7.339 -35.086 -7.816 1.00 28.65 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? 7.993 -33.909 -10.764 1.00 31.58 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? 6.960 -32.956 -10.175 1.00 32.02 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? 8.896 -33.158 -11.730 1.00 32.52 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? 7.755 -36.721 -9.307 1.00 28.74 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? 6.889 -37.703 -8.666 1.00 28.02 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? 7.607 -38.423 -7.526 1.00 27.52 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? 7.028 -38.623 -6.460 1.00 26.79 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? 6.376 -38.741 -9.687 1.00 28.14 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? 5.431 -39.730 -9.018 1.00 28.24 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? 5.683 -38.043 -10.849 1.00 28.36 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? 8.823 -38.874 -7.769 1.00 23.66 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? 9.632 -39.574 -6.761 1.00 25.59 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? 10.139 -38.763 -5.601 1.00 24.59 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? 10.211 -39.250 -4.521 1.00 27.33 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? 10.812 -40.351 -7.357 1.00 26.72 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? 11.726 -39.444 -7.943 1.00 25.86 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? 10.334 -41.347 -8.405 1.00 28.09 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? 10.515 -37.534 -5.921 0.50 20.89 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? 11.228 -36.565 -5.066 0.50 21.32 ? 235 SER A CA 1 ATOM 1818 C C A SER A 1 235 ? 10.507 -35.347 -4.316 0.50 23.40 ? 235 SER A C 1 ATOM 1819 C C B SER A 1 235 ? 10.860 -35.112 -4.744 0.50 24.47 ? 235 SER A C 1 ATOM 1820 O O A SER A 1 235 ? 10.401 -35.324 -3.123 0.50 21.86 ? 235 SER A O 1 ATOM 1821 O O B SER A 1 235 ? 11.733 -34.267 -4.658 0.50 22.31 ? 235 SER A O 1 ATOM 1822 C CB . SER A 1 235 ? 12.727 -36.586 -5.545 0.50 22.38 ? 235 SER A CB 1 ATOM 1823 O OG . SER A 1 235 ? 13.210 -37.887 -5.745 0.50 27.65 ? 235 SER A OG 1 ATOM 1824 N N . ASN A 1 236 ? 9.657 -34.740 -5.074 1.00 23.32 ? 236 ASN A N 1 ATOM 1825 C CA . ASN A 1 236 ? 9.102 -33.430 -5.050 1.00 22.22 ? 236 ASN A CA 1 ATOM 1826 C C . ASN A 1 236 ? 7.694 -33.429 -4.477 1.00 21.72 ? 236 ASN A C 1 ATOM 1827 O O . ASN A 1 236 ? 7.505 -33.011 -3.382 1.00 22.25 ? 236 ASN A O 1 ATOM 1828 C CB . ASN A 1 236 ? 9.139 -32.814 -6.420 1.00 23.12 ? 236 ASN A CB 1 ATOM 1829 C CG . ASN A 1 236 ? 9.011 -31.321 -6.376 1.00 24.44 ? 236 ASN A CG 1 ATOM 1830 O OD1 . ASN A 1 236 ? 8.656 -30.755 -5.390 1.00 24.18 ? 236 ASN A OD1 1 ATOM 1831 N ND2 . ASN A 1 236 ? 9.296 -30.698 -7.455 1.00 25.67 ? 236 ASN A ND2 1 ATOM 1832 N N . ILE A 1 237 ? 6.725 -33.869 -5.248 1.00 24.99 ? 237 ILE A N 1 ATOM 1833 C CA . ILE A 1 237 ? 5.337 -33.758 -4.804 1.00 24.32 ? 237 ILE A CA 1 ATOM 1834 C C . ILE A 1 237 ? 5.117 -34.565 -3.521 1.00 24.46 ? 237 ILE A C 1 ATOM 1835 O O . ILE A 1 237 ? 5.580 -35.699 -3.411 1.00 24.31 ? 237 ILE A O 1 ATOM 1836 C CB . ILE A 1 237 ? 4.347 -34.193 -5.911 1.00 24.02 ? 237 ILE A CB 1 ATOM 1837 C CG1 . ILE A 1 237 ? 2.920 -33.749 -5.564 1.00 23.53 ? 237 ILE A CG1 1 ATOM 1838 C CG2 . ILE A 1 237 ? 4.407 -35.697 -6.144 1.00 24.02 ? 237 ILE A CG2 1 ATOM 1839 C CD1 . ILE A 1 237 ? 2.004 -33.676 -6.768 1.00 23.35 ? 237 ILE A CD1 1 ATOM 1840 N N . GLN A 1 238 ? 4.423 -33.963 -2.555 1.00 24.36 ? 238 GLN A N 1 ATOM 1841 C CA . GLN A 1 238 ? 4.228 -34.566 -1.235 1.00 24.76 ? 238 GLN A CA 1 ATOM 1842 C C . GLN A 1 238 ? 2.775 -34.877 -0.902 1.00 24.10 ? 238 GLN A C 1 ATOM 1843 O O . GLN A 1 238 ? 2.501 -35.527 0.105 1.00 23.99 ? 238 GLN A O 1 ATOM 1844 C CB . GLN A 1 238 ? 4.790 -33.634 -0.160 1.00 25.66 ? 238 GLN A CB 1 ATOM 1845 C CG . GLN A 1 238 ? 6.263 -33.308 -0.339 1.00 26.23 ? 238 GLN A CG 1 ATOM 1846 C CD . GLN A 1 238 ? 7.146 -34.524 -0.156 1.00 27.58 ? 238 GLN A CD 1 ATOM 1847 O OE1 . GLN A 1 238 ? 7.006 -35.261 0.819 1.00 29.07 ? 238 GLN A OE1 1 ATOM 1848 N NE2 . GLN A 1 238 ? 8.058 -34.745 -1.096 1.00 27.54 ? 238 GLN A NE2 1 ATOM 1849 N N . LEU A 1 239 ? 1.850 -34.406 -1.732 1.00 23.95 ? 239 LEU A N 1 ATOM 1850 C CA . LEU A 1 239 ? 0.417 -34.548 -1.480 1.00 24.07 ? 239 LEU A CA 1 ATOM 1851 C C . LEU A 1 239 ? -0.309 -34.613 -2.815 1.00 24.29 ? 239 LEU A C 1 ATOM 1852 O O . LEU A 1 239 ? 0.030 -33.874 -3.744 1.00 24.05 ? 239 LEU A O 1 ATOM 1853 C CB . LEU A 1 239 ? -0.115 -33.345 -0.698 1.00 24.08 ? 239 LEU A CB 1 ATOM 1854 C CG . LEU A 1 239 ? 0.495 -32.988 0.659 1.00 23.88 ? 239 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 239 ? 0.047 -31.595 1.070 1.00 23.93 ? 239 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 239 ? 0.107 -34.007 1.718 1.00 24.00 ? 239 LEU A CD2 1 ATOM 1857 N N . LEU A 1 240 ? -1.307 -35.487 -2.909 1.00 24.58 ? 240 LEU A N 1 ATOM 1858 C CA . LEU A 1 240 ? -2.091 -35.626 -4.130 1.00 25.53 ? 240 LEU A CA 1 ATOM 1859 C C . LEU A 1 240 ? -3.521 -35.180 -3.904 1.00 25.30 ? 240 LEU A C 1 ATOM 1860 O O . LEU A 1 240 ? -4.186 -35.633 -2.970 1.00 26.06 ? 240 LEU A O 1 ATOM 1861 C CB . LEU A 1 240 ? -2.088 -37.075 -4.621 1.00 25.54 ? 240 LEU A CB 1 ATOM 1862 C CG . LEU A 1 240 ? -0.722 -37.683 -4.934 1.00 25.92 ? 240 LEU A CG 1 ATOM 1863 C CD1 . LEU A 1 240 ? -0.879 -39.160 -5.263 1.00 26.20 ? 240 LEU A CD1 1 ATOM 1864 C CD2 . LEU A 1 240 ? -0.025 -36.953 -6.073 1.00 25.92 ? 240 LEU A CD2 1 ATOM 1865 N N . LEU A 1 241 ? -3.973 -34.266 -4.755 1.00 25.88 ? 241 LEU A N 1 ATOM 1866 C CA . LEU A 1 241 ? -5.378 -33.927 -4.850 1.00 26.04 ? 241 LEU A CA 1 ATOM 1867 C C . LEU A 1 241 ? -6.116 -35.131 -5.432 1.00 26.73 ? 241 LEU A C 1 ATOM 1868 O O . LEU A 1 241 ? -5.781 -35.600 -6.521 1.00 25.76 ? 241 LEU A O 1 ATOM 1869 C CB . LEU A 1 241 ? -5.570 -32.715 -5.762 1.00 26.13 ? 241 LEU A CB 1 ATOM 1870 C CG . LEU A 1 241 ? -6.989 -32.163 -5.916 1.00 26.25 ? 241 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 241 ? -7.559 -31.750 -4.568 1.00 26.31 ? 241 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 241 ? -6.989 -30.989 -6.884 1.00 26.30 ? 241 LEU A CD2 1 ATOM 1873 N N . ASN A 1 242 ? -7.108 -35.623 -4.698 1.00 27.83 ? 242 ASN A N 1 ATOM 1874 C CA . ASN A 1 242 ? -7.934 -36.753 -5.133 1.00 28.84 ? 242 ASN A CA 1 ATOM 1875 C C . ASN A 1 242 ? -8.628 -36.440 -6.459 1.00 30.15 ? 242 ASN A C 1 ATOM 1876 O O . ASN A 1 242 ? -9.185 -35.354 -6.614 1.00 29.05 ? 242 ASN A O 1 ATOM 1877 C CB . ASN A 1 242 ? -8.981 -37.049 -4.055 1.00 29.62 ? 242 ASN A CB 1 ATOM 1878 C CG . ASN A 1 242 ? -9.499 -38.472 -4.105 1.00 29.68 ? 242 ASN A CG 1 ATOM 1879 O OD1 . ASN A 1 242 ? -10.245 -38.836 -5.009 1.00 30.07 ? 242 ASN A OD1 1 ATOM 1880 N ND2 . ASN A 1 242 ? -9.128 -39.276 -3.114 1.00 29.51 ? 242 ASN A ND2 1 ATOM 1881 N N . THR A 1 243 ? -8.598 -37.378 -7.410 1.00 31.84 ? 243 THR A N 1 ATOM 1882 C CA . THR A 1 243 ? -9.261 -37.180 -8.712 1.00 33.87 ? 243 THR A CA 1 ATOM 1883 C C . THR A 1 243 ? -10.757 -36.915 -8.594 1.00 35.55 ? 243 THR A C 1 ATOM 1884 O O . THR A 1 243 ? -11.351 -36.294 -9.478 1.00 34.83 ? 243 THR A O 1 ATOM 1885 C CB . THR A 1 243 ? -9.087 -38.385 -9.661 1.00 34.70 ? 243 THR A CB 1 ATOM 1886 O OG1 . THR A 1 243 ? -9.305 -39.605 -8.940 1.00 34.95 ? 243 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 243 ? -7.704 -38.388 -10.280 1.00 35.07 ? 243 THR A CG2 1 ATOM 1888 N N . LYS A 1 244 ? -11.366 -37.381 -7.508 1.00 37.90 ? 244 LYS A N 1 ATOM 1889 C CA . LYS A 1 244 ? -12.776 -37.105 -7.251 1.00 40.40 ? 244 LYS A CA 1 ATOM 1890 C C . LYS A 1 244 ? -13.052 -35.609 -7.018 1.00 41.35 ? 244 LYS A C 1 ATOM 1891 O O . LYS A 1 244 ? -14.202 -35.179 -7.083 1.00 41.09 ? 244 LYS A O 1 ATOM 1892 C CB . LYS A 1 244 ? -13.283 -37.964 -6.088 1.00 42.01 ? 244 LYS A CB 1 ATOM 1893 C CG . LYS A 1 244 ? -13.304 -39.449 -6.439 1.00 44.14 ? 244 LYS A CG 1 ATOM 1894 C CD . LYS A 1 244 ? -13.561 -40.349 -5.241 1.00 46.17 ? 244 LYS A CD 1 ATOM 1895 C CE . LYS A 1 244 ? -15.032 -40.379 -4.857 1.00 47.74 ? 244 LYS A CE 1 ATOM 1896 N NZ . LYS A 1 244 ? -15.287 -41.366 -3.771 1.00 48.97 ? 244 LYS A NZ 1 ATOM 1897 N N . ASN A 1 245 ? -11.999 -34.826 -6.768 1.00 41.18 ? 245 ASN A N 1 ATOM 1898 C CA . ASN A 1 245 ? -12.100 -33.366 -6.669 1.00 41.66 ? 245 ASN A CA 1 ATOM 1899 C C . ASN A 1 245 ? -11.490 -32.628 -7.871 1.00 41.49 ? 245 ASN A C 1 ATOM 1900 O O . ASN A 1 245 ? -11.207 -31.431 -7.791 1.00 42.16 ? 245 ASN A O 1 ATOM 1901 C CB . ASN A 1 245 ? -11.426 -32.891 -5.379 1.00 42.12 ? 245 ASN A CB 1 ATOM 1902 C CG . ASN A 1 245 ? -12.140 -33.379 -4.135 1.00 42.56 ? 245 ASN A CG 1 ATOM 1903 O OD1 . ASN A 1 245 ? -13.361 -33.264 -4.026 1.00 44.60 ? 245 ASN A OD1 1 ATOM 1904 N ND2 . ASN A 1 245 ? -11.386 -33.915 -3.185 1.00 42.58 ? 245 ASN A ND2 1 ATOM 1905 N N . ILE A 1 246 ? -11.297 -33.334 -8.982 1.00 41.40 ? 246 ILE A N 1 ATOM 1906 C CA . ILE A 1 246 ? -10.688 -32.744 -10.175 1.00 40.89 ? 246 ILE A CA 1 ATOM 1907 C C . ILE A 1 246 ? -11.610 -32.904 -11.381 1.00 41.77 ? 246 ILE A C 1 ATOM 1908 O O . ILE A 1 246 ? -11.962 -31.921 -12.032 1.00 42.55 ? 246 ILE A O 1 ATOM 1909 C CB . ILE A 1 246 ? -9.312 -33.374 -10.486 1.00 39.34 ? 246 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 246 ? -8.418 -33.338 -9.242 1.00 38.28 ? 246 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 246 ? -8.638 -32.638 -11.636 1.00 39.20 ? 246 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 246 ? -7.088 -34.046 -9.400 1.00 37.61 ? 246 ILE A CD1 1 ATOM 1913 O OXT . ILE A 1 246 ? -12.022 -34.010 -11.732 1.00 42.34 ? 246 ILE A OXT 1 HETATM 1914 C C1 . NAG B 2 . ? 9.608 -41.963 -18.351 1.00 51.69 ? 301 NAG A C1 1 HETATM 1915 C C2 . NAG B 2 . ? 9.991 -42.204 -19.811 1.00 55.44 ? 301 NAG A C2 1 HETATM 1916 C C3 . NAG B 2 . ? 11.477 -41.969 -20.110 1.00 56.51 ? 301 NAG A C3 1 HETATM 1917 C C4 . NAG B 2 . ? 12.070 -40.814 -19.308 1.00 56.52 ? 301 NAG A C4 1 HETATM 1918 C C5 . NAG B 2 . ? 11.656 -40.966 -17.846 1.00 56.04 ? 301 NAG A C5 1 HETATM 1919 C C6 . NAG B 2 . ? 12.302 -39.942 -16.914 1.00 56.52 ? 301 NAG A C6 1 HETATM 1920 C C7 . NAG B 2 . ? 8.442 -43.942 -20.600 1.00 58.50 ? 301 NAG A C7 1 HETATM 1921 C C8 . NAG B 2 . ? 8.221 -45.409 -20.839 1.00 58.83 ? 301 NAG A C8 1 HETATM 1922 N N2 . NAG B 2 . ? 9.634 -43.583 -20.110 1.00 57.24 ? 301 NAG A N2 1 HETATM 1923 O O3 . NAG B 2 . ? 11.663 -41.739 -21.491 1.00 56.94 ? 301 NAG A O3 1 HETATM 1924 O O4 . NAG B 2 . ? 13.474 -40.832 -19.446 1.00 58.05 ? 301 NAG A O4 1 HETATM 1925 O O5 . NAG B 2 . ? 10.250 -40.831 -17.805 1.00 53.89 ? 301 NAG A O5 1 HETATM 1926 O O6 . NAG B 2 . ? 11.791 -38.652 -17.170 1.00 56.58 ? 301 NAG A O6 1 HETATM 1927 O O7 . NAG B 2 . ? 7.539 -43.140 -20.853 1.00 59.73 ? 301 NAG A O7 1 HETATM 1928 C C1 . GOL C 3 . ? 12.641 -13.802 8.699 1.00 41.65 ? 302 GOL A C1 1 HETATM 1929 O O1 . GOL C 3 . ? 12.278 -12.421 8.814 1.00 42.00 ? 302 GOL A O1 1 HETATM 1930 C C2 . GOL C 3 . ? 12.467 -14.522 10.035 1.00 41.71 ? 302 GOL A C2 1 HETATM 1931 O O2 . GOL C 3 . ? 11.687 -13.721 10.941 1.00 40.55 ? 302 GOL A O2 1 HETATM 1932 C C3 . GOL C 3 . ? 13.850 -14.818 10.615 1.00 41.42 ? 302 GOL A C3 1 HETATM 1933 O O3 . GOL C 3 . ? 13.747 -15.356 11.937 1.00 41.44 ? 302 GOL A O3 1 HETATM 1934 C C1 . GOL D 3 . ? 8.457 -37.645 -2.699 1.00 42.59 ? 303 GOL A C1 1 HETATM 1935 O O1 . GOL D 3 . ? 7.751 -37.430 -3.938 1.00 39.75 ? 303 GOL A O1 1 HETATM 1936 C C2 . GOL D 3 . ? 7.605 -38.424 -1.696 1.00 43.15 ? 303 GOL A C2 1 HETATM 1937 O O2 . GOL D 3 . ? 7.598 -39.812 -2.055 1.00 44.66 ? 303 GOL A O2 1 HETATM 1938 C C3 . GOL D 3 . ? 8.141 -38.264 -0.272 1.00 44.90 ? 303 GOL A C3 1 HETATM 1939 O O3 . GOL D 3 . ? 8.496 -39.538 0.288 1.00 46.48 ? 303 GOL A O3 1 HETATM 1940 N N1 . CTP E 4 . ? -6.398 -21.384 -3.332 1.00 42.25 ? 304 CTP A N1 1 HETATM 1941 C C2 . CTP E 4 . ? -6.494 -21.277 -1.917 1.00 38.36 ? 304 CTP A C2 1 HETATM 1942 N N3 . CTP E 4 . ? -7.685 -21.001 -1.338 1.00 41.67 ? 304 CTP A N3 1 HETATM 1943 C C4 . CTP E 4 . ? -8.794 -20.820 -2.088 1.00 38.22 ? 304 CTP A C4 1 HETATM 1944 C C5 . CTP E 4 . ? -8.728 -20.917 -3.470 1.00 38.72 ? 304 CTP A C5 1 HETATM 1945 C C6 . CTP E 4 . ? -7.510 -21.198 -4.068 1.00 40.66 ? 304 CTP A C6 1 HETATM 1946 O O2 . CTP E 4 . ? -5.501 -21.438 -1.180 1.00 29.73 ? 304 CTP A O2 1 HETATM 1947 N N4 . CTP E 4 . ? -9.972 -20.542 -1.502 1.00 30.83 ? 304 CTP A N4 1 HETATM 1948 C "C1'" . CTP E 4 . ? -5.112 -21.681 -3.998 1.00 43.27 ? 304 CTP A "C1'" 1 HETATM 1949 C "C2'" . CTP E 4 . ? -4.628 -23.114 -3.784 1.00 47.42 ? 304 CTP A "C2'" 1 HETATM 1950 O "O2'" . CTP E 4 . ? -3.198 -23.163 -3.706 1.00 37.44 ? 304 CTP A "O2'" 1 HETATM 1951 C "C3'" . CTP E 4 . ? -5.104 -23.894 -4.992 1.00 42.18 ? 304 CTP A "C3'" 1 HETATM 1952 C "C4'" . CTP E 4 . ? -5.383 -22.853 -6.045 1.00 47.73 ? 304 CTP A "C4'" 1 HETATM 1953 O "O4'" . CTP E 4 . ? -5.280 -21.560 -5.410 1.00 42.97 ? 304 CTP A "O4'" 1 HETATM 1954 O "O3'" . CTP E 4 . ? -4.162 -24.853 -5.494 1.00 45.20 ? 304 CTP A "O3'" 1 HETATM 1955 C "C5'" . CTP E 4 . ? -6.751 -23.123 -6.687 1.00 49.00 ? 304 CTP A "C5'" 1 HETATM 1956 O "O5'" . CTP E 4 . ? -7.082 -22.127 -7.659 1.00 48.78 ? 304 CTP A "O5'" 1 HETATM 1957 P PA . CTP E 4 . ? -5.934 -21.397 -8.530 1.00 48.97 ? 304 CTP A PA 1 HETATM 1958 O O1A . CTP E 4 . ? -5.453 -22.363 -9.594 1.00 56.05 ? 304 CTP A O1A 1 HETATM 1959 O O2A . CTP E 4 . ? -4.972 -20.689 -7.609 1.00 50.24 ? 304 CTP A O2A 1 HETATM 1960 O O3A . CTP E 4 . ? -6.722 -20.216 -9.264 1.00 56.27 ? 304 CTP A O3A 1 HETATM 1961 P PB . CTP E 4 . ? -6.458 -19.836 -10.798 1.00 48.61 ? 304 CTP A PB 1 HETATM 1962 O O1B . CTP E 4 . ? -7.132 -18.504 -10.986 1.00 52.18 ? 304 CTP A O1B 1 HETATM 1963 O O2B . CTP E 4 . ? -6.864 -21.024 -11.649 1.00 55.20 ? 304 CTP A O2B 1 HETATM 1964 O O3B . CTP E 4 . ? -4.860 -19.620 -10.868 1.00 52.54 ? 304 CTP A O3B 1 HETATM 1965 P PG . CTP E 4 . ? -4.093 -19.273 -12.246 1.00 48.12 ? 304 CTP A PG 1 HETATM 1966 O O1G . CTP E 4 . ? -3.015 -18.282 -11.852 1.00 49.85 ? 304 CTP A O1G 1 HETATM 1967 O O2G . CTP E 4 . ? -3.567 -20.624 -12.687 1.00 54.80 ? 304 CTP A O2G 1 HETATM 1968 O O3G . CTP E 4 . ? -5.163 -18.675 -13.141 1.00 57.14 ? 304 CTP A O3G 1 HETATM 1969 O O . HOH F 5 . ? -15.457 -25.985 2.666 1.00 28.33 ? 401 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? 13.733 -13.844 13.943 1.00 28.97 ? 402 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? 11.208 -36.224 -0.910 1.00 55.59 ? 403 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? -3.687 -23.203 -0.983 1.00 28.41 ? 404 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? -3.173 -23.206 -8.823 1.00 45.84 ? 405 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? 16.605 -16.913 -3.150 1.00 61.12 ? 406 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? -23.307 -22.282 2.813 1.00 58.63 ? 407 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? -5.828 -16.240 15.921 1.00 39.97 ? 408 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? -20.928 -16.409 4.851 1.00 43.43 ? 409 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? -8.713 -34.470 -2.289 1.00 27.26 ? 410 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? -18.202 -35.414 3.469 1.00 55.93 ? 411 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? -19.958 -4.076 18.652 1.00 52.37 ? 412 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? -19.561 -11.548 5.374 1.00 26.27 ? 413 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? 5.287 -2.674 -7.191 1.00 41.55 ? 414 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? -6.912 -27.754 13.261 1.00 30.87 ? 415 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? 9.750 -30.602 6.052 1.00 35.96 ? 416 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? 3.780 -25.423 -16.259 1.00 54.55 ? 417 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? -11.679 -10.189 -10.932 1.00 44.12 ? 418 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? -10.900 -7.900 14.932 1.00 44.30 ? 419 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? -17.039 -15.606 11.950 1.00 24.61 ? 420 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? -0.531 -50.223 -13.824 1.00 32.37 ? 421 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? -3.179 -18.035 16.636 1.00 37.59 ? 422 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? -1.883 -24.616 -6.796 1.00 36.22 ? 423 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? 4.465 -16.950 20.215 1.00 43.23 ? 424 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? -9.813 -5.660 -3.150 1.00 32.23 ? 425 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? -3.272 -3.878 7.010 1.00 42.61 ? 426 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? -18.454 -13.459 13.307 1.00 36.26 ? 427 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? 1.129 -29.403 -18.577 1.00 42.78 ? 428 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? 0.576 -27.771 -16.192 1.00 46.26 ? 429 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? -7.874 -1.925 -0.001 1.00 28.14 ? 430 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? -12.866 -32.166 -14.524 1.00 60.31 ? 431 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? 9.545 -5.271 15.276 1.00 36.83 ? 432 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? 16.967 -14.944 -1.156 1.00 33.74 ? 433 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? -0.822 -25.560 16.850 1.00 46.47 ? 434 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? 4.753 -14.561 -5.481 1.00 26.23 ? 435 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? -17.691 -18.059 11.118 1.00 29.76 ? 436 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? 10.871 -20.062 -5.817 1.00 31.18 ? 437 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? -11.973 -3.030 0.380 1.00 25.82 ? 438 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? -12.657 -30.757 -1.799 1.00 46.96 ? 439 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? 6.749 -41.386 -5.936 1.00 33.94 ? 440 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? -0.479 -21.998 18.616 1.00 52.48 ? 441 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? 8.169 -24.589 13.598 1.00 25.70 ? 442 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? 1.653 -7.963 2.933 1.00 47.08 ? 443 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? 5.358 -22.669 16.552 1.00 38.80 ? 444 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? 11.603 -34.436 -13.152 1.00 49.68 ? 445 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? 15.746 -24.002 -9.018 1.00 55.62 ? 446 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? 5.468 -41.700 1.971 1.00 47.07 ? 447 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? -14.992 -7.082 1.927 1.00 25.14 ? 448 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? 15.859 -40.556 -18.198 1.00 56.01 ? 449 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? 0.386 -6.820 0.568 1.00 35.63 ? 450 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? -5.534 -37.481 -18.957 1.00 41.91 ? 451 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? -24.500 -23.005 15.510 1.00 38.42 ? 452 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? -0.936 -47.685 -21.959 1.00 50.05 ? 453 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? -7.403 -35.148 3.153 1.00 25.48 ? 454 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? -6.527 -41.423 1.039 1.00 37.31 ? 455 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? 20.576 -19.647 9.197 1.00 62.46 ? 456 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? -7.946 -4.391 -5.108 1.00 29.79 ? 457 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? -1.639 -37.403 8.092 1.00 44.27 ? 458 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? 0.799 -32.190 12.501 1.00 30.18 ? 459 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? 6.284 -9.632 -0.899 1.00 22.47 ? 460 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? 7.466 -33.638 5.250 1.00 33.47 ? 461 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? 12.155 -31.551 -4.646 1.00 49.26 ? 462 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? -8.013 -1.537 8.584 1.00 48.74 ? 463 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? 14.776 -19.114 -7.157 1.00 34.26 ? 464 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? 10.127 -20.742 14.288 1.00 28.10 ? 465 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? 7.109 -43.002 -8.379 1.00 42.78 ? 466 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? -5.699 -45.051 -16.159 1.00 32.36 ? 467 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? -13.624 -10.830 -14.626 1.00 73.34 ? 468 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? 17.679 -16.032 3.092 1.00 32.83 ? 469 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? -14.870 -32.529 -1.072 1.00 49.38 ? 470 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? 5.054 -33.415 12.299 1.00 47.12 ? 471 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? -15.894 -33.941 -4.907 1.00 63.63 ? 472 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? -7.621 -8.759 7.136 1.00 25.67 ? 473 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? -19.304 -15.783 -0.314 1.00 28.89 ? 474 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? -5.582 -26.746 -7.229 1.00 45.28 ? 475 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? -1.463 -6.351 -2.842 1.00 36.39 ? 476 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? -2.582 -50.483 -9.821 1.00 44.31 ? 477 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? -17.756 -16.539 1.812 1.00 26.41 ? 478 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? -18.834 -30.519 12.468 1.00 51.87 ? 479 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? -21.575 -22.708 0.388 1.00 43.91 ? 480 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? -3.936 -30.553 13.384 1.00 43.47 ? 481 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? -22.979 -22.745 11.060 1.00 43.33 ? 482 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? 8.517 -38.516 -17.116 1.00 36.07 ? 483 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? 5.678 -35.375 6.682 1.00 54.87 ? 484 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? 5.771 -26.037 13.606 1.00 31.07 ? 485 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? -3.043 -28.379 -13.018 1.00 29.80 ? 486 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? 3.030 -6.475 14.431 1.00 43.20 ? 487 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? -8.768 -7.884 12.073 1.00 32.36 ? 488 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? -2.240 -11.036 17.748 1.00 37.33 ? 489 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? 15.923 -10.834 -3.870 1.00 33.48 ? 490 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? -8.435 -28.745 -9.623 1.00 43.80 ? 491 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? -7.792 -42.029 -6.858 1.00 37.39 ? 492 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? -6.118 -44.595 -5.604 1.00 58.13 ? 493 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? 14.503 -30.191 -5.212 1.00 58.06 ? 494 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? 2.719 -40.051 -20.926 1.00 47.52 ? 495 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? -10.393 -10.080 -8.304 1.00 31.77 ? 496 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? -2.054 -4.105 9.707 1.00 49.63 ? 497 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? -1.063 -44.342 -21.815 1.00 44.88 ? 498 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? 2.768 -27.001 14.827 1.00 28.35 ? 499 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? 1.996 -46.343 -2.908 1.00 32.29 ? 500 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? 6.711 -15.245 16.113 1.00 27.06 ? 501 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? 14.420 -21.635 14.892 1.00 48.06 ? 502 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? 13.096 -44.170 -21.851 1.00 58.67 ? 503 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? -12.037 -26.962 12.158 1.00 41.21 ? 504 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? -10.030 -41.951 -2.720 1.00 34.13 ? 505 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? 13.463 -15.983 -8.872 1.00 42.70 ? 506 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? 2.974 -14.520 20.616 1.00 50.22 ? 507 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? -3.256 -28.635 18.139 1.00 46.79 ? 508 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? 11.267 -19.793 16.615 1.00 40.28 ? 509 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? 4.795 -6.909 -4.598 1.00 36.06 ? 510 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? 8.888 -14.950 -11.198 1.00 47.90 ? 511 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? -12.589 -21.967 14.926 1.00 39.28 ? 512 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? -13.543 -17.436 -8.809 1.00 55.40 ? 513 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? 1.153 -47.026 -5.969 1.00 37.86 ? 514 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? 15.189 -24.321 14.421 1.00 46.14 ? 515 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? -15.969 -14.575 -6.372 1.00 47.35 ? 516 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? -4.104 -0.952 -0.287 1.00 43.81 ? 517 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? 19.570 -20.495 12.701 1.00 54.93 ? 518 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? -9.447 -4.287 10.486 1.00 36.78 ? 519 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? -2.742 -2.515 4.644 1.00 58.18 ? 520 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? -5.670 -5.357 -11.703 1.00 41.91 ? 521 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? -10.849 -36.783 -17.519 1.00 68.40 ? 522 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? -5.932 -13.447 16.079 1.00 38.34 ? 523 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? -18.257 -15.491 4.205 1.00 34.52 ? 524 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? -11.241 -29.171 -4.426 1.00 57.45 ? 525 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? -16.079 -21.788 15.269 1.00 38.25 ? 526 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? 9.693 -11.189 -11.921 1.00 47.58 ? 527 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? 3.885 -52.809 -14.894 1.00 47.54 ? 528 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? 14.300 -41.614 -22.682 1.00 59.77 ? 529 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? 8.384 -11.290 19.639 1.00 54.84 ? 530 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? -10.647 -29.478 -11.178 1.00 52.44 ? 531 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? 18.562 -19.599 4.249 1.00 57.62 ? 532 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? 7.556 -22.070 14.851 1.00 28.15 ? 533 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? -7.879 -23.660 18.264 1.00 54.72 ? 534 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? -14.110 -12.667 19.017 1.00 37.48 ? 535 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? -9.948 -2.334 2.137 1.00 24.68 ? 536 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? -15.922 -22.685 -3.756 1.00 33.83 ? 537 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? 9.492 -7.755 -8.337 1.00 54.23 ? 538 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? -3.896 -39.782 7.897 1.00 55.89 ? 539 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? 1.319 -4.627 -12.507 1.00 50.02 ? 540 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? -20.430 -11.842 -5.015 1.00 47.19 ? 541 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? 13.101 -29.231 9.606 1.00 43.54 ? 542 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? -5.635 -32.061 11.547 1.00 46.88 ? 543 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? -0.261 -3.724 4.304 1.00 35.93 ? 544 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? 1.132 -29.299 15.694 1.00 45.28 ? 545 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? 18.575 -23.504 10.080 1.00 42.13 ? 546 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? -12.380 -25.857 -1.299 1.00 48.66 ? 547 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? -2.195 0.284 2.261 1.00 60.28 ? 548 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? 0.437 -15.514 -12.923 1.00 51.95 ? 549 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? -6.162 -7.649 14.674 1.00 44.24 ? 550 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? 13.077 -10.863 -6.339 1.00 27.37 ? 551 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? -6.006 -7.023 5.329 1.00 22.63 ? 552 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? -4.544 -12.954 -12.873 1.00 40.55 ? 553 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? -20.426 -7.127 14.876 1.00 43.19 ? 554 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? -1.408 -47.047 0.693 1.00 35.43 ? 555 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? -2.842 -43.626 6.531 1.00 47.08 ? 556 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? 12.869 -22.156 -12.694 1.00 36.92 ? 557 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? -17.137 -28.938 5.930 1.00 34.38 ? 558 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? -0.440 -39.735 -24.166 1.00 51.79 ? 559 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? -10.442 -36.546 -12.309 1.00 48.99 ? 560 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? 13.079 -18.423 -12.506 1.00 37.02 ? 561 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? 11.326 -20.152 -18.987 1.00 56.97 ? 562 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? 15.193 -20.593 -11.917 1.00 66.99 ? 563 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? 13.355 -29.359 2.820 1.00 43.20 ? 564 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? 17.237 -21.169 -6.359 1.00 55.13 ? 565 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? 2.938 -5.550 6.454 1.00 38.84 ? 566 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? 3.391 -10.009 2.224 1.00 40.84 ? 567 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? -18.345 -13.541 20.541 1.00 57.75 ? 568 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? -13.100 -10.401 -7.315 1.00 49.61 ? 569 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? 3.038 -22.507 -15.507 1.00 47.31 ? 570 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? 15.189 -38.433 -20.107 1.00 64.47 ? 571 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? 1.062 -49.697 -20.997 1.00 38.61 ? 572 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? -20.981 -12.387 1.764 1.00 40.53 ? 573 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? 9.726 -28.273 -11.890 1.00 48.10 ? 574 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? 17.798 -21.661 -19.612 1.00 66.63 ? 575 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? 13.735 -29.151 -11.733 1.00 66.91 ? 576 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? 11.246 -32.264 -9.234 1.00 36.65 ? 577 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? -3.012 -26.771 -9.648 1.00 31.33 ? 578 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? -4.474 -33.827 -16.263 1.00 42.98 ? 579 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? 15.789 -20.383 -14.779 1.00 58.95 ? 580 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? 20.189 -18.316 0.445 1.00 65.96 ? 581 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? 19.267 -17.604 -1.794 1.00 66.22 ? 582 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? 4.407 -36.061 2.481 1.00 54.24 ? 583 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? -13.504 -13.319 -7.432 1.00 44.52 ? 584 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? 2.742 -33.727 -26.539 1.00 53.91 ? 585 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? 0.710 -18.282 -13.960 1.00 39.12 ? 586 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? -20.234 -18.001 -2.002 1.00 38.78 ? 587 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? 13.370 -36.844 -13.839 1.00 35.16 ? 588 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? 2.266 -36.954 5.593 1.00 56.86 ? 589 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? 2.516 -9.104 20.886 1.00 58.40 ? 590 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? -15.647 -11.744 -5.904 1.00 53.55 ? 591 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? -11.603 -6.703 -5.251 1.00 36.07 ? 592 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? 15.258 -25.932 -4.178 1.00 49.05 ? 593 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? 14.014 -29.299 6.769 1.00 52.13 ? 594 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? -2.237 -8.401 -12.261 1.00 46.19 ? 595 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? 6.421 -8.250 12.921 1.00 38.06 ? 596 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? 17.222 -25.003 0.594 1.00 46.09 ? 597 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? -8.814 -45.787 -4.732 1.00 54.32 ? 598 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? -6.977 -47.010 -8.130 1.00 54.26 ? 599 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? -6.485 -34.532 -18.612 1.00 53.38 ? 600 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? -12.705 -19.973 -7.437 1.00 59.40 ? 601 HOH A O 1 HETATM 2170 O O . HOH F 5 . ? 4.647 -25.581 -23.551 1.00 40.47 ? 602 HOH A O 1 HETATM 2171 O O . HOH F 5 . ? 6.560 -45.853 -15.398 1.00 45.38 ? 603 HOH A O 1 HETATM 2172 O O . HOH F 5 . ? -1.468 -31.659 14.049 1.00 60.18 ? 604 HOH A O 1 HETATM 2173 O O . HOH F 5 . ? 13.856 -29.720 -9.089 1.00 52.58 ? 605 HOH A O 1 HETATM 2174 O O . HOH F 5 . ? -3.961 -36.402 10.725 1.00 45.27 ? 606 HOH A O 1 HETATM 2175 O O . HOH F 5 . ? 3.458 -12.837 -15.117 1.00 53.66 ? 607 HOH A O 1 HETATM 2176 O O . HOH F 5 . ? -11.121 -42.972 4.651 1.00 53.89 ? 608 HOH A O 1 HETATM 2177 O O . HOH F 5 . ? 15.956 -28.725 -7.352 1.00 54.93 ? 609 HOH A O 1 HETATM 2178 O O . HOH F 5 . ? -10.180 -7.008 -7.886 1.00 48.24 ? 610 HOH A O 1 HETATM 2179 O O . HOH F 5 . ? -8.678 -42.447 -0.464 1.00 43.50 ? 611 HOH A O 1 HETATM 2180 O O . HOH F 5 . ? -5.546 -19.865 19.317 1.00 56.63 ? 612 HOH A O 1 HETATM 2181 O O . HOH F 5 . ? -22.804 -25.986 12.053 1.00 46.05 ? 613 HOH A O 1 HETATM 2182 O O . HOH F 5 . ? -3.647 1.594 0.776 1.00 49.18 ? 614 HOH A O 1 HETATM 2183 O O . HOH F 5 . ? -2.648 -10.898 -13.322 1.00 45.95 ? 615 HOH A O 1 HETATM 2184 O O . HOH F 5 . ? 2.306 -8.211 -1.150 1.00 37.23 ? 616 HOH A O 1 HETATM 2185 O O . HOH F 5 . ? 5.556 -38.847 2.554 1.00 54.75 ? 617 HOH A O 1 HETATM 2186 O O . HOH F 5 . ? -14.477 -38.277 6.619 1.00 56.69 ? 618 HOH A O 1 HETATM 2187 O O . HOH F 5 . ? -2.702 -25.027 19.093 1.00 51.82 ? 619 HOH A O 1 HETATM 2188 O O . HOH F 5 . ? 10.066 -25.110 -24.897 1.00 41.28 ? 620 HOH A O 1 HETATM 2189 O O . HOH F 5 . ? -6.971 -17.317 18.262 1.00 60.87 ? 621 HOH A O 1 HETATM 2190 O O . HOH F 5 . ? -1.611 -2.171 -1.192 1.00 38.09 ? 622 HOH A O 1 HETATM 2191 O O . HOH F 5 . ? 1.203 -27.057 17.392 1.00 64.54 ? 623 HOH A O 1 HETATM 2192 O O . HOH F 5 . ? -1.715 -29.411 -15.499 1.00 42.04 ? 624 HOH A O 1 HETATM 2193 O O . HOH F 5 . ? 14.767 -18.113 -10.100 1.00 41.87 ? 625 HOH A O 1 HETATM 2194 O O . HOH F 5 . ? 6.500 -15.513 18.855 1.00 43.50 ? 626 HOH A O 1 HETATM 2195 O O . HOH F 5 . ? 10.321 -33.548 6.508 1.00 67.40 ? 627 HOH A O 1 HETATM 2196 O O . HOH F 5 . ? 20.353 -14.831 3.030 1.00 42.82 ? 628 HOH A O 1 HETATM 2197 O O . HOH F 5 . ? 11.122 -30.807 -13.037 1.00 66.11 ? 629 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 GOL 1 302 247 GOL GOL A . D 3 GOL 1 303 248 GOL GOL A . E 4 CTP 1 304 2736 CTP CTP A . F 5 HOH 1 401 22 HOH HOH A . F 5 HOH 2 402 67 HOH HOH A . F 5 HOH 3 403 96 HOH HOH A . F 5 HOH 4 404 14 HOH HOH A . F 5 HOH 5 405 229 HOH HOH A . F 5 HOH 6 406 134 HOH HOH A . F 5 HOH 7 407 219 HOH HOH A . F 5 HOH 8 408 156 HOH HOH A . F 5 HOH 9 409 177 HOH HOH A . F 5 HOH 10 410 28 HOH HOH A . F 5 HOH 11 411 131 HOH HOH A . F 5 HOH 12 412 174 HOH HOH A . F 5 HOH 13 413 9 HOH HOH A . F 5 HOH 14 414 206 HOH HOH A . F 5 HOH 15 415 36 HOH HOH A . F 5 HOH 16 416 154 HOH HOH A . F 5 HOH 17 417 151 HOH HOH A . F 5 HOH 18 418 88 HOH HOH A . F 5 HOH 19 419 98 HOH HOH A . F 5 HOH 20 420 19 HOH HOH A . F 5 HOH 21 421 32 HOH HOH A . F 5 HOH 22 422 78 HOH HOH A . F 5 HOH 23 423 227 HOH HOH A . F 5 HOH 24 424 102 HOH HOH A . F 5 HOH 25 425 37 HOH HOH A . F 5 HOH 26 426 199 HOH HOH A . F 5 HOH 27 427 61 HOH HOH A . F 5 HOH 28 428 130 HOH HOH A . F 5 HOH 29 429 122 HOH HOH A . F 5 HOH 30 430 23 HOH HOH A . F 5 HOH 31 431 202 HOH HOH A . F 5 HOH 32 432 113 HOH HOH A . F 5 HOH 33 433 50 HOH HOH A . F 5 HOH 34 434 107 HOH HOH A . F 5 HOH 35 435 13 HOH HOH A . F 5 HOH 36 436 38 HOH HOH A . F 5 HOH 37 437 18 HOH HOH A . F 5 HOH 38 438 21 HOH HOH A . F 5 HOH 39 439 217 HOH HOH A . F 5 HOH 40 440 49 HOH HOH A . F 5 HOH 41 441 185 HOH HOH A . F 5 HOH 42 442 59 HOH HOH A . F 5 HOH 43 443 40 HOH HOH A . F 5 HOH 44 444 97 HOH HOH A . F 5 HOH 45 445 152 HOH HOH A . F 5 HOH 46 446 45 HOH HOH A . F 5 HOH 47 447 127 HOH HOH A . F 5 HOH 48 448 8 HOH HOH A . F 5 HOH 49 449 200 HOH HOH A . F 5 HOH 50 450 77 HOH HOH A . F 5 HOH 51 451 183 HOH HOH A . F 5 HOH 52 452 163 HOH HOH A . F 5 HOH 53 453 164 HOH HOH A . F 5 HOH 54 454 25 HOH HOH A . F 5 HOH 55 455 51 HOH HOH A . F 5 HOH 56 456 128 HOH HOH A . F 5 HOH 57 457 29 HOH HOH A . F 5 HOH 58 458 129 HOH HOH A . F 5 HOH 59 459 52 HOH HOH A . F 5 HOH 60 460 30 HOH HOH A . F 5 HOH 61 461 44 HOH HOH A . F 5 HOH 62 462 167 HOH HOH A . F 5 HOH 63 463 75 HOH HOH A . F 5 HOH 64 464 26 HOH HOH A . F 5 HOH 65 465 7 HOH HOH A . F 5 HOH 66 466 190 HOH HOH A . F 5 HOH 67 467 69 HOH HOH A . F 5 HOH 68 468 222 HOH HOH A . F 5 HOH 69 469 62 HOH HOH A . F 5 HOH 70 470 124 HOH HOH A . F 5 HOH 71 471 186 HOH HOH A . F 5 HOH 72 472 140 HOH HOH A . F 5 HOH 73 473 3 HOH HOH A . F 5 HOH 74 474 158 HOH HOH A . F 5 HOH 75 475 228 HOH HOH A . F 5 HOH 76 476 48 HOH HOH A . F 5 HOH 77 477 115 HOH HOH A . F 5 HOH 78 478 1 HOH HOH A . F 5 HOH 79 479 135 HOH HOH A . F 5 HOH 80 480 76 HOH HOH A . F 5 HOH 81 481 66 HOH HOH A . F 5 HOH 82 482 178 HOH HOH A . F 5 HOH 83 483 57 HOH HOH A . F 5 HOH 84 484 82 HOH HOH A . F 5 HOH 85 485 53 HOH HOH A . F 5 HOH 86 486 24 HOH HOH A . F 5 HOH 87 487 125 HOH HOH A . F 5 HOH 88 488 35 HOH HOH A . F 5 HOH 89 489 43 HOH HOH A . F 5 HOH 90 490 160 HOH HOH A . F 5 HOH 91 491 103 HOH HOH A . F 5 HOH 92 492 133 HOH HOH A . F 5 HOH 93 493 126 HOH HOH A . F 5 HOH 94 494 168 HOH HOH A . F 5 HOH 95 495 99 HOH HOH A . F 5 HOH 96 496 41 HOH HOH A . F 5 HOH 97 497 118 HOH HOH A . F 5 HOH 98 498 139 HOH HOH A . F 5 HOH 99 499 11 HOH HOH A . F 5 HOH 100 500 27 HOH HOH A . F 5 HOH 101 501 39 HOH HOH A . F 5 HOH 102 502 226 HOH HOH A . F 5 HOH 103 503 155 HOH HOH A . F 5 HOH 104 504 112 HOH HOH A . F 5 HOH 105 505 60 HOH HOH A . F 5 HOH 106 506 56 HOH HOH A . F 5 HOH 107 507 213 HOH HOH A . F 5 HOH 108 508 136 HOH HOH A . F 5 HOH 109 509 34 HOH HOH A . F 5 HOH 110 510 70 HOH HOH A . F 5 HOH 111 511 145 HOH HOH A . F 5 HOH 112 512 31 HOH HOH A . F 5 HOH 113 513 179 HOH HOH A . F 5 HOH 114 514 17 HOH HOH A . F 5 HOH 115 515 197 HOH HOH A . F 5 HOH 116 516 150 HOH HOH A . F 5 HOH 117 517 100 HOH HOH A . F 5 HOH 118 518 210 HOH HOH A . F 5 HOH 119 519 85 HOH HOH A . F 5 HOH 120 520 2 HOH HOH A . F 5 HOH 121 521 181 HOH HOH A . F 5 HOH 122 522 120 HOH HOH A . F 5 HOH 123 523 5 HOH HOH A . F 5 HOH 124 524 157 HOH HOH A . F 5 HOH 125 525 209 HOH HOH A . F 5 HOH 126 526 15 HOH HOH A . F 5 HOH 127 527 149 HOH HOH A . F 5 HOH 128 528 110 HOH HOH A . F 5 HOH 129 529 106 HOH HOH A . F 5 HOH 130 530 223 HOH HOH A . F 5 HOH 131 531 176 HOH HOH A . F 5 HOH 132 532 191 HOH HOH A . F 5 HOH 133 533 12 HOH HOH A . F 5 HOH 134 534 215 HOH HOH A . F 5 HOH 135 535 91 HOH HOH A . F 5 HOH 136 536 33 HOH HOH A . F 5 HOH 137 537 72 HOH HOH A . F 5 HOH 138 538 216 HOH HOH A . F 5 HOH 139 539 195 HOH HOH A . F 5 HOH 140 540 212 HOH HOH A . F 5 HOH 141 541 143 HOH HOH A . F 5 HOH 142 542 81 HOH HOH A . F 5 HOH 143 543 142 HOH HOH A . F 5 HOH 144 544 159 HOH HOH A . F 5 HOH 145 545 89 HOH HOH A . F 5 HOH 146 546 87 HOH HOH A . F 5 HOH 147 547 79 HOH HOH A . F 5 HOH 148 548 208 HOH HOH A . F 5 HOH 149 549 169 HOH HOH A . F 5 HOH 150 550 221 HOH HOH A . F 5 HOH 151 551 83 HOH HOH A . F 5 HOH 152 552 55 HOH HOH A . F 5 HOH 153 553 73 HOH HOH A . F 5 HOH 154 554 71 HOH HOH A . F 5 HOH 155 555 47 HOH HOH A . F 5 HOH 156 556 46 HOH HOH A . F 5 HOH 157 557 65 HOH HOH A . F 5 HOH 158 558 58 HOH HOH A . F 5 HOH 159 559 211 HOH HOH A . F 5 HOH 160 560 132 HOH HOH A . F 5 HOH 161 561 95 HOH HOH A . F 5 HOH 162 562 184 HOH HOH A . F 5 HOH 163 563 214 HOH HOH A . F 5 HOH 164 564 137 HOH HOH A . F 5 HOH 165 565 146 HOH HOH A . F 5 HOH 166 566 93 HOH HOH A . F 5 HOH 167 567 171 HOH HOH A . F 5 HOH 168 568 138 HOH HOH A . F 5 HOH 169 569 144 HOH HOH A . F 5 HOH 170 570 74 HOH HOH A . F 5 HOH 171 571 201 HOH HOH A . F 5 HOH 172 572 119 HOH HOH A . F 5 HOH 173 573 162 HOH HOH A . F 5 HOH 174 574 4 HOH HOH A . F 5 HOH 175 575 218 HOH HOH A . F 5 HOH 176 576 193 HOH HOH A . F 5 HOH 177 577 116 HOH HOH A . F 5 HOH 178 578 54 HOH HOH A . F 5 HOH 179 579 63 HOH HOH A . F 5 HOH 180 580 198 HOH HOH A . F 5 HOH 181 581 108 HOH HOH A . F 5 HOH 182 582 220 HOH HOH A . F 5 HOH 183 583 16 HOH HOH A . F 5 HOH 184 584 10 HOH HOH A . F 5 HOH 185 585 225 HOH HOH A . F 5 HOH 186 586 64 HOH HOH A . F 5 HOH 187 587 80 HOH HOH A . F 5 HOH 188 588 6 HOH HOH A . F 5 HOH 189 589 117 HOH HOH A . F 5 HOH 190 590 207 HOH HOH A . F 5 HOH 191 591 188 HOH HOH A . F 5 HOH 192 592 68 HOH HOH A . F 5 HOH 193 593 105 HOH HOH A . F 5 HOH 194 594 114 HOH HOH A . F 5 HOH 195 595 104 HOH HOH A . F 5 HOH 196 596 42 HOH HOH A . F 5 HOH 197 597 20 HOH HOH A . F 5 HOH 198 598 147 HOH HOH A . F 5 HOH 199 599 189 HOH HOH A . F 5 HOH 200 600 170 HOH HOH A . F 5 HOH 201 601 123 HOH HOH A . F 5 HOH 202 602 165 HOH HOH A . F 5 HOH 203 603 84 HOH HOH A . F 5 HOH 204 604 121 HOH HOH A . F 5 HOH 205 605 192 HOH HOH A . F 5 HOH 206 606 194 HOH HOH A . F 5 HOH 207 607 182 HOH HOH A . F 5 HOH 208 608 203 HOH HOH A . F 5 HOH 209 609 204 HOH HOH A . F 5 HOH 210 610 90 HOH HOH A . F 5 HOH 211 611 92 HOH HOH A . F 5 HOH 212 612 224 HOH HOH A . F 5 HOH 213 613 205 HOH HOH A . F 5 HOH 214 614 141 HOH HOH A . F 5 HOH 215 615 153 HOH HOH A . F 5 HOH 216 616 101 HOH HOH A . F 5 HOH 217 617 166 HOH HOH A . F 5 HOH 218 618 86 HOH HOH A . F 5 HOH 219 619 180 HOH HOH A . F 5 HOH 220 620 187 HOH HOH A . F 5 HOH 221 621 109 HOH HOH A . F 5 HOH 222 622 173 HOH HOH A . F 5 HOH 223 623 148 HOH HOH A . F 5 HOH 224 624 172 HOH HOH A . F 5 HOH 225 625 94 HOH HOH A . F 5 HOH 226 626 175 HOH HOH A . F 5 HOH 227 627 111 HOH HOH A . F 5 HOH 228 628 161 HOH HOH A . F 5 HOH 229 629 196 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)' 1420 ? 1 MORE 1 ? 1 'SSA (A^2)' 11090 ? # _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 2015-06-10 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' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 4 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? A 125.55 110.10 15.45 1.90 N 2 1 N A SER 235 ? ? CA A SER 235 ? ? C A SER 235 ? B 128.90 111.00 17.90 2.70 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 77 ? ? 53.66 -102.31 2 1 PRO A 106 ? ? -84.33 34.13 3 1 THR A 158 ? ? -117.14 -80.70 4 1 ASN A 236 ? ? -101.73 -75.93 5 1 ASN A 236 ? ? -136.85 -75.93 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 SER A 235 ? A -12.84 2 1 SER A 235 ? B 13.64 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 "CYTIDINE-5'-TRIPHOSPHATE" CTP 5 water HOH #