data_5CIX # _entry.id 5CIX # _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 5CIX WWPDB D_1000211590 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 4JTP _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5CIX _pdbx_database_status.recvd_initial_deposition_date 2015-07-13 _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 'Singh, P.K.' 1 'Pandey, S.' 2 'Tyagi, T.K.' 3 'Singh, A.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _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 ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution.' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Singh, P.K.' 1 primary 'Pandey, S.' 2 primary 'Tyagi, T.K.' 3 primary 'Singh, A.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.length_a 130.262 _cell.length_b 130.262 _cell.length_c 38.158 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 5CIX _cell.Z_PDB 9 _cell.pdbx_unique_axis ? # _symmetry.space_group_name_H-M 'H 3' _symmetry.entry_id 5CIX _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 "2,2',2''-NITRILOTRIETHANOL" 149.188 1 ? ? ? ? 4 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? ? ? ? 5 water nat water 18.015 162 ? ? ? ? # _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 5CIX _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 211 non-polymer . "2,2',2''-NITRILOTRIETHANOL" ? 'C6 H15 N O3' 149.188 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 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 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 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 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 5CIX _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.30 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 46.51 _exptl_crystal.description 'single crystal' _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, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _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 2015-02-15 # _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 5CIX _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.88 _reflns.d_resolution_low 32.57 _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 ? _reflns.number_obs 19516 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.5 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 2.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.074 _reflns.pdbx_netI_over_av_sigmaI 0.335 _reflns.pdbx_netI_over_sigmaI 0.0185 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.88 _reflns_shell.d_res_low 1.91 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 0.335 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 96.6 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.1 _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.entry_id 5CIX _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_d_res_high 1.8800 _refine.ls_d_res_low 32.5700 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 95.6400 _refine.ls_number_reflns_obs 17828 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.ls_matrix_type ? _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1686 _refine.ls_R_factor_R_work 0.1660 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2178 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.1000 _refine.ls_number_reflns_R_free 952 _refine.ls_number_reflns_R_work ? _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 44.0530 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 0.0400 _refine.aniso_B[2][2] 0.0400 _refine.aniso_B[3][3] -0.1400 _refine.aniso_B[1][2] 0.0200 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] -0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9770 _refine.correlation_coeff_Fo_to_Fc_free 0.9560 _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.overall_SU_R_free ? _refine.pdbx_overall_ESU_R 0.1520 _refine.pdbx_overall_ESU_R_Free 0.1450 _refine.overall_SU_ML 0.1330 _refine.overall_SU_B 4.7360 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.2000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 4JTP _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 125.070 _refine.B_iso_min 25.070 _refine.pdbx_overall_phase_error ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_R_factor_R_free_error_details ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.8800 _refine_hist.d_res_low 32.5700 _refine_hist.pdbx_number_atoms_ligand 29 _refine_hist.number_atoms_solvent 162 _refine_hist.number_atoms_total 2101 _refine_hist.pdbx_number_residues_total 246 _refine_hist.pdbx_B_iso_mean_ligand 56.55 _refine_hist.pdbx_B_iso_mean_solvent 54.87 _refine_hist.pdbx_number_atoms_protein 1910 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' r_bond_refined_d 1973 0.017 0.019 ? ? 'X-RAY DIFFRACTION' r_bond_other_d 1906 0.006 0.020 ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 2684 1.794 1.979 ? ? 'X-RAY DIFFRACTION' r_angle_other_deg 4361 0.887 3.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 245 5.810 5.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 84 38.069 23.929 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 322 13.240 15.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 13 18.393 15.000 ? ? 'X-RAY DIFFRACTION' r_chiral_restr 318 0.103 0.200 ? ? 'X-RAY DIFFRACTION' r_gen_planes_refined 2220 0.008 0.021 ? ? 'X-RAY DIFFRACTION' r_gen_planes_other 449 0.001 0.020 ? ? 'X-RAY DIFFRACTION' r_mcbond_it 983 3.442 4.050 ? ? 'X-RAY DIFFRACTION' r_mcbond_other 982 3.444 4.047 ? ? 'X-RAY DIFFRACTION' r_mcangle_it 1227 4.511 6.060 ? ? # _refine_ls_shell.d_res_high 1.8810 _refine_ls_shell.d_res_low 1.9300 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 79.4100 _refine_ls_shell.number_reflns_R_work 1107 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.2740 _refine_ls_shell.R_factor_R_free 0.2950 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 54 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 1161 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_obs ? # _struct.entry_id 5CIX _struct.title 'Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom 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 5CIX _struct_keywords.text 'Hydrolase class, HYDROLASE, SIGNALING PROTEIN' _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' # 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 4 ? E N N 5 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 10 ? LEU A 25 ? ASP A 10 LEU A 25 1 ? 16 HELX_P HELX_P2 AA2 SER A 42 ? GLY A 45 ? SER A 42 GLY A 45 5 ? 4 HELX_P HELX_P3 AA3 GLU A 85 ? SER A 92 ? GLU A 85 SER A 92 1 ? 8 HELX_P HELX_P4 AA4 ASN A 110 ? GLY A 119 ? ASN A 110 GLY A 119 1 ? 10 HELX_P HELX_P5 AA5 PRO A 121 ? ILE A 125 ? PRO A 121 ILE A 125 5 ? 5 HELX_P HELX_P6 AA6 GLY A 128 ? HIS A 141 ? GLY A 128 HIS A 141 1 ? 14 HELX_P HELX_P7 AA7 ASP A 143 ? THR A 158 ? ASP A 143 THR A 158 1 ? 16 HELX_P HELX_P8 AA8 THR A 158 ? PHE A 164 ? THR A 158 PHE A 164 1 ? 7 HELX_P HELX_P9 AA9 PHE A 164 ? ARG A 174 ? PHE A 164 ARG A 174 1 ? 11 HELX_P HELX_P10 AB1 SER A 182 ? GLN A 203 ? SER A 182 GLN A 203 1 ? 22 HELX_P HELX_P11 AB2 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P12 AB3 ASN A 242 ? ILE A 246 ? ASN A 242 ILE A 246 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 227 _struct_conn.ptnr1_label_atom_id ND2 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_conn.pdbx_ptnr1_standard_comp_id ? _struct_conn.ptnr1_symmetry 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 227 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 801 _struct_conn.ptnr2_symmetry 1_555 _struct_conn.pdbx_ptnr3_label_atom_id ? _struct_conn.pdbx_ptnr3_label_seq_id ? _struct_conn.pdbx_ptnr3_label_comp_id ? _struct_conn.pdbx_ptnr3_label_asym_id ? _struct_conn.pdbx_ptnr3_label_alt_id ? _struct_conn.pdbx_ptnr3_PDB_ins_code ? _struct_conn.details ? _struct_conn.pdbx_dist_value 1.578 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 2 ? AA3 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 VAL A 2 ? ARG A 5 ? VAL A 2 ARG A 5 AA1 2 TYR A 47 ? PHE A 53 ? TYR A 47 PHE A 53 AA1 3 THR A 59 ? ASP A 65 ? THR A 59 ASP A 65 AA1 4 ILE A 71 ? ALA A 76 ? ILE A 71 ALA A 76 AA1 5 THR A 79 ? PHE A 82 ? THR A 79 PHE A 82 AA1 6 ARG A 101 ? THR A 104 ? ARG A 101 THR A 104 AA2 1 LYS A 30 ? VAL A 31 ? LYS A 30 VAL A 31 AA2 2 ILE A 34 ? PRO A 35 ? ILE A 34 PRO A 35 AA3 1 VAL A 208 ? VAL A 216 ? VAL A 208 VAL A 216 AA3 2 ARG A 222 ? ASN A 227 ? ARG A 222 ASN A 227 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 2 ? N VAL A 2 O HIS A 51 ? O HIS A 51 AA1 2 3 N MET A 50 ? N MET A 50 O VAL A 62 ? O VAL A 62 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 211 802 ? 12 'binding site for residue 211 A 802' AC2 Software A PO4 803 ? 3 'binding site for residue PO4 A 803' AC3 Software A NAG 801 ? 5 'binding site for Mono-Saccharide NAG A 801 bound to ASN A 227' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 12 VAL A 69 ? VAL A 69 . ? 1_555 ? 2 AC1 12 TYR A 70 ? TYR A 70 . ? 1_555 ? 3 AC1 12 ILE A 71 ? ILE A 71 . ? 1_555 ? 4 AC1 12 MET A 72 ? MET A 72 . ? 1_555 ? 5 AC1 12 GLU A 85 ? GLU A 85 . ? 1_555 ? 6 AC1 12 GLY A 109 ? GLY A 109 . ? 1_555 ? 7 AC1 12 TYR A 111 ? TYR A 111 . ? 1_555 ? 8 AC1 12 ILE A 155 ? ILE A 155 . ? 1_555 ? 9 AC1 12 ALA A 159 ? ALA A 159 . ? 1_555 ? 10 AC1 12 ARG A 163 ? ARG A 163 . ? 1_555 ? 11 AC1 12 HOH E . ? HOH A 902 . ? 1_555 ? 12 AC1 12 HOH E . ? HOH A 941 . ? 1_555 ? 13 AC2 3 ASN A 33 ? ASN A 33 . ? 1_555 ? 14 AC2 3 GLN A 238 ? GLN A 238 . ? 1_555 ? 15 AC2 3 HOH E . ? HOH A 917 . ? 1_555 ? 16 AC3 5 THR A 226 ? THR A 226 . ? 1_555 ? 17 AC3 5 ASN A 227 ? ASN A 227 . ? 1_555 ? 18 AC3 5 THR A 229 ? THR A 229 . ? 1_555 ? 19 AC3 5 HOH E . ? HOH A 921 . ? 1_555 ? 20 AC3 5 HOH E . ? HOH A 987 . ? 1_555 ? # _atom_sites.entry_id 5CIX _atom_sites.fract_transf_matrix[1][1] 0.007677 _atom_sites.fract_transf_matrix[1][2] 0.004432 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008864 _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] 0.026207 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -22.752 -17.889 -28.591 1.00 59.66 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -21.864 -16.837 -28.018 1.00 60.06 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -22.543 -15.492 -27.949 1.00 60.76 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -23.438 -15.195 -28.742 1.00 54.88 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -20.574 -16.756 -28.823 1.00 63.22 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -19.815 -18.115 -28.829 1.00 71.23 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -20.152 -19.036 -27.986 1.00 66.25 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -18.890 -18.247 -29.662 1.00 63.07 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -22.116 -14.697 -26.972 1.00 47.78 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -22.644 -13.390 -26.750 1.00 48.34 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -21.527 -12.357 -26.929 1.00 46.52 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -20.337 -12.651 -26.794 1.00 43.40 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -23.260 -13.242 -25.354 1.00 53.09 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -24.350 -14.273 -25.156 1.00 53.87 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -22.237 -13.383 -24.255 1.00 54.92 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? -21.934 -11.144 -27.257 1.00 45.14 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.014 -10.079 -27.570 1.00 41.56 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -21.389 -8.758 -26.946 1.00 40.71 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -22.572 -8.461 -26.696 1.00 44.06 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -20.864 -9.913 -29.096 1.00 46.77 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -20.425 -11.157 -29.610 1.00 49.96 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -20.364 -7.948 -26.731 1.00 35.67 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.563 -6.581 -26.262 1.00 34.26 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.472 -5.622 -26.721 1.00 34.10 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -18.271 -5.876 -26.605 1.00 36.05 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -20.746 -6.567 -24.756 1.00 34.58 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -21.061 -5.220 -24.205 1.00 34.73 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.171 -4.487 -24.679 1.00 33.82 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -20.291 -4.666 -23.219 1.00 35.37 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -22.475 -3.243 -24.138 1.00 35.94 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -20.597 -3.410 -22.671 1.00 34.16 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -21.689 -2.691 -23.130 1.00 36.09 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -19.923 -4.494 -27.246 1.00 36.80 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -19.076 -3.442 -27.727 1.00 38.66 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -19.181 -2.221 -26.874 1.00 36.50 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -20.245 -1.603 -26.764 1.00 35.70 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -19.456 -3.120 -29.154 1.00 45.76 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -19.100 -4.274 -30.058 1.00 50.02 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -19.353 -3.933 -31.495 1.00 57.58 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -18.573 -4.818 -32.355 1.00 66.03 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -18.900 -6.073 -32.653 1.00 77.89 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -20.018 -6.630 -32.171 1.00 82.62 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -18.099 -6.784 -33.446 1.00 80.40 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? -18.059 -1.853 -26.262 1.00 33.37 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? -18.018 -0.639 -25.476 1.00 37.20 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? -18.162 0.620 -26.355 1.00 40.62 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? -18.628 1.667 -25.884 1.00 37.65 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? -16.728 -0.577 -24.653 1.00 39.42 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? -16.820 -1.325 -23.308 1.00 42.91 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? -17.767 -0.614 -22.371 1.00 39.62 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? -17.204 -2.782 -23.473 1.00 40.59 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? -17.765 0.506 -27.624 1.00 41.97 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -17.857 1.642 -28.540 1.00 41.91 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -19.280 1.876 -28.878 1.00 40.95 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -19.919 1.055 -29.512 1.00 41.14 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -17.081 1.417 -29.837 1.00 43.83 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -17.100 2.621 -30.604 1.00 48.69 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -19.800 3.006 -28.454 1.00 42.07 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -21.216 3.279 -28.624 1.00 43.58 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -22.107 2.733 -27.531 1.00 47.54 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -23.327 2.857 -27.622 1.00 45.38 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -21.530 2.185 -26.461 1.00 40.85 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -22.355 1.505 -25.489 1.00 42.39 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -23.147 2.533 -24.728 1.00 43.52 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -22.691 3.617 -24.524 1.00 38.94 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -21.519 0.706 -24.512 1.00 50.05 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? -24.353 2.174 -24.327 1.00 41.28 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? -25.178 3.011 -23.514 1.00 38.30 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? -25.891 2.073 -22.542 1.00 33.20 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? -25.796 0.869 -22.694 1.00 37.07 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? -26.110 3.917 -24.365 1.00 37.94 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? -27.228 3.213 -25.053 1.00 41.23 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? -27.208 1.966 -25.250 1.00 39.61 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? -28.163 3.983 -25.436 1.00 40.65 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? -26.597 2.615 -21.552 1.00 36.51 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? -27.321 1.688 -20.620 1.00 36.37 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? -28.238 0.673 -21.304 1.00 40.93 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? -28.409 -0.474 -20.846 1.00 34.96 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? -28.106 2.633 -19.740 1.00 38.06 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? -27.333 3.909 -19.771 1.00 38.30 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? -26.590 3.992 -21.086 1.00 41.47 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? -28.891 1.102 -22.383 1.00 38.79 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? -29.759 0.222 -23.093 1.00 40.05 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? -29.009 -0.931 -23.741 1.00 35.90 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? -29.387 -2.082 -23.609 1.00 37.78 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? -30.593 1.032 -24.119 1.00 43.98 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? -31.039 0.153 -25.138 1.00 55.49 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? -27.899 -0.667 -24.413 1.00 40.84 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? -27.193 -1.762 -25.100 1.00 36.09 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? -26.477 -2.692 -24.101 1.00 38.07 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? -26.399 -3.872 -24.299 1.00 39.29 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? -26.178 -1.279 -26.155 1.00 38.10 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? -25.007 -0.708 -25.582 1.00 41.59 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? -25.933 -2.134 -23.034 1.00 38.20 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? -25.406 -2.999 -21.956 1.00 38.79 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? -26.523 -3.897 -21.375 1.00 36.05 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? -26.323 -5.093 -21.189 1.00 37.50 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? -24.789 -2.149 -20.860 1.00 38.62 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? -24.396 -2.949 -19.644 1.00 36.37 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? -23.230 -3.678 -19.628 1.00 36.87 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? -25.162 -2.913 -18.516 1.00 38.01 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? -22.846 -4.372 -18.499 1.00 36.07 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? -24.797 -3.590 -17.394 1.00 35.71 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? -23.658 -4.331 -17.392 1.00 32.55 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? -23.341 -5.004 -16.242 1.00 31.26 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? -27.698 -3.291 -21.118 1.00 35.34 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? -28.887 -4.026 -20.683 1.00 35.84 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? -29.223 -5.211 -21.589 1.00 38.84 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? -29.529 -6.322 -21.108 1.00 38.02 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? -29.129 -4.981 -22.896 1.00 38.96 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? -29.367 -6.010 -23.894 1.00 43.22 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? -28.279 -7.064 -23.854 1.00 43.94 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? -28.578 -8.247 -23.935 1.00 45.33 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? -29.404 -5.375 -25.284 1.00 46.65 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? -30.558 -4.384 -25.438 1.00 58.49 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? -30.868 -3.824 -27.144 1.00 68.91 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? -29.571 -2.615 -27.502 1.00 67.07 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? -27.009 -6.637 -23.766 1.00 37.59 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? -25.930 -7.591 -23.590 1.00 35.44 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? -26.181 -8.483 -22.356 1.00 35.44 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? -26.041 -9.697 -22.421 1.00 38.05 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? -24.581 -6.869 -23.488 1.00 38.25 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? -23.500 -7.644 -22.743 1.00 37.53 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? -23.002 -8.808 -23.266 1.00 37.69 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? -22.990 -7.174 -21.552 1.00 40.26 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? -21.991 -9.502 -22.630 1.00 40.14 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? -21.982 -7.851 -20.867 1.00 41.52 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? -21.491 -9.036 -21.399 1.00 41.17 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? -26.564 -7.899 -21.236 1.00 36.40 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? -26.762 -8.732 -19.981 1.00 32.59 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? -27.943 -9.638 -20.148 1.00 34.63 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? -27.944 -10.779 -19.727 1.00 30.58 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? -26.917 -7.834 -18.744 1.00 31.18 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? -25.596 -7.117 -18.477 1.00 30.94 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? -27.383 -8.578 -17.490 1.00 33.85 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? -24.363 -8.008 -18.295 1.00 30.27 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? -28.970 -9.145 -20.825 1.00 35.92 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? -30.077 -10.026 -21.194 1.00 42.02 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? -29.624 -11.183 -22.089 1.00 36.02 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? -30.025 -12.323 -21.872 1.00 40.97 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? -31.191 -9.215 -21.860 1.00 43.41 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? -32.470 -10.015 -22.053 1.00 63.30 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? -33.651 -9.073 -22.309 1.00 73.17 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? -34.958 -9.841 -22.379 1.00 86.74 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? -35.129 -10.582 -23.664 1.00 94.34 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? -28.756 -10.930 -23.057 1.00 37.16 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? -28.259 -12.043 -23.906 1.00 40.22 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? -27.398 -12.990 -23.085 1.00 43.03 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? -27.395 -14.206 -23.301 1.00 40.90 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? -27.408 -11.531 -25.075 1.00 43.31 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? -28.167 -10.562 -25.987 1.00 52.29 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? -29.439 -10.553 -25.959 1.00 49.77 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? -27.506 -9.796 -26.737 1.00 57.77 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? -26.596 -12.429 -22.166 1.00 39.67 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? -25.755 -13.295 -21.362 1.00 36.56 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? -26.642 -14.259 -20.520 1.00 36.05 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -26.434 -15.488 -20.475 1.00 34.73 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? -24.831 -12.436 -20.492 1.00 32.72 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? -23.974 -13.191 -19.470 1.00 34.24 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -23.154 -14.277 -20.118 1.00 36.55 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? -23.099 -12.175 -18.741 1.00 36.61 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? -27.673 -13.716 -19.905 1.00 39.38 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? -28.574 -14.549 -19.137 1.00 38.25 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? -29.227 -15.587 -20.045 1.00 39.53 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -29.282 -16.738 -19.709 1.00 41.45 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? -29.673 -13.724 -18.552 1.00 36.81 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? -29.262 -12.869 -17.380 1.00 38.58 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? -30.319 -11.864 -17.094 1.00 36.39 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? -29.922 -11.007 -15.986 1.00 34.46 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? -30.277 -9.728 -15.861 1.00 36.56 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? -31.085 -9.105 -16.758 1.00 41.07 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? -29.838 -9.052 -14.814 1.00 33.98 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? -29.714 -15.170 -21.196 1.00 43.21 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? -30.419 -16.107 -22.094 1.00 46.23 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -29.523 -17.114 -22.771 1.00 47.05 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -30.012 -18.043 -23.370 1.00 50.43 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? -31.215 -15.360 -23.183 1.00 45.74 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? -32.399 -14.564 -22.646 1.00 49.83 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? -32.893 -13.684 -23.348 1.00 58.06 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? -32.875 -14.863 -21.450 1.00 51.99 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -28.209 -16.939 -22.697 1.00 49.10 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -27.278 -17.955 -23.202 1.00 43.98 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -27.086 -19.100 -22.230 1.00 43.81 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -26.510 -20.123 -22.587 1.00 48.89 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -25.941 -17.344 -23.531 1.00 46.98 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -27.503 -18.937 -20.975 1.00 40.51 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -27.239 -19.978 -19.982 1.00 39.06 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -28.386 -20.974 -19.983 1.00 41.33 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -29.498 -20.591 -19.805 1.00 44.89 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -27.109 -19.378 -18.589 1.00 41.45 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -26.009 -18.302 -18.544 1.00 40.05 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -26.046 -17.471 -17.272 1.00 43.41 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -24.625 -18.910 -18.758 1.00 43.46 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -28.110 -22.254 -20.164 1.00 45.74 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -29.229 -23.203 -20.253 1.00 46.85 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -29.803 -23.565 -18.895 1.00 47.26 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -29.114 -23.543 -17.861 1.00 45.37 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -28.565 -24.433 -20.857 1.00 47.02 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -27.212 -24.406 -20.245 1.00 47.86 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -26.822 -22.939 -20.283 1.00 42.95 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -31.075 -23.946 -18.930 1.00 47.47 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -31.804 -24.413 -17.743 1.00 51.67 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -32.944 -25.336 -18.236 1.00 45.95 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -33.510 -25.111 -19.333 1.00 42.13 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -32.373 -23.243 -16.887 1.00 47.28 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -33.304 -22.333 -17.641 1.00 56.22 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -34.678 -22.479 -17.614 1.00 60.26 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -33.052 -21.300 -18.486 1.00 51.78 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -35.231 -21.560 -18.391 1.00 58.56 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -34.263 -20.824 -18.920 1.00 58.61 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -33.282 -26.329 -17.430 1.00 51.62 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -34.444 -27.173 -17.763 1.00 59.18 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -35.642 -26.706 -16.952 1.00 60.45 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -36.755 -26.807 -17.434 1.00 58.02 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -34.188 -28.686 -17.586 1.00 61.55 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -33.468 -28.894 -16.377 1.00 70.91 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -33.392 -29.300 -18.772 1.00 61.37 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -35.425 -26.162 -15.749 1.00 54.87 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -36.529 -25.624 -14.974 1.00 51.13 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -36.328 -24.234 -14.323 1.00 54.76 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -35.206 -23.688 -14.243 1.00 50.32 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -36.891 -26.626 -13.909 1.00 54.77 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -36.023 -26.564 -12.678 1.00 58.05 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -36.466 -27.570 -11.637 1.00 66.14 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -37.433 -27.278 -10.893 1.00 77.45 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -35.831 -28.644 -11.549 1.00 70.39 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -37.436 -23.690 -13.839 1.00 45.30 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -37.447 -22.452 -13.070 1.00 43.19 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -37.918 -22.765 -11.687 1.00 49.00 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -38.697 -23.687 -11.501 1.00 57.60 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? -38.343 -21.418 -13.672 1.00 44.39 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? -37.896 -20.932 -15.018 1.00 40.41 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? -38.599 -19.667 -15.409 1.00 44.75 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? -38.330 -19.436 -16.899 1.00 44.89 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? -38.884 -18.151 -17.428 1.00 54.62 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -37.435 -22.001 -10.725 1.00 43.19 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -37.833 -22.125 -9.336 1.00 44.15 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? -38.264 -20.730 -8.927 1.00 45.46 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? -37.487 -19.789 -8.995 1.00 42.21 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -36.676 -22.628 -8.463 1.00 39.93 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -37.100 -22.723 -7.001 1.00 41.55 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -36.194 -23.972 -8.950 1.00 42.29 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? -39.531 -20.586 -8.579 1.00 44.48 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? -40.150 -19.294 -8.349 1.00 40.39 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? -39.841 -18.314 -9.468 1.00 37.99 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? -39.492 -17.161 -9.284 1.00 41.55 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? -39.707 -18.831 -7.008 1.00 42.75 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? -40.222 -19.712 -5.888 1.00 41.17 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? -41.577 -19.735 -5.570 1.00 46.98 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? -39.368 -20.447 -5.114 1.00 45.65 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? -42.055 -20.490 -4.509 1.00 46.69 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? -39.830 -21.213 -4.055 1.00 50.74 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? -41.186 -21.224 -3.745 1.00 49.40 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? -41.670 -21.966 -2.669 1.00 50.74 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? -39.977 -18.850 -10.658 1.00 40.29 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? -39.873 -18.120 -11.885 1.00 39.38 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? -38.455 -17.661 -12.187 1.00 41.42 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? -38.272 -16.848 -13.048 1.00 48.10 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? -40.886 -16.989 -11.966 1.00 44.02 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? -41.480 -16.869 -13.368 1.00 54.98 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? -41.979 -17.852 -13.949 1.00 66.90 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? -41.410 -15.681 -13.933 1.00 59.99 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? -37.464 -18.206 -11.485 1.00 44.13 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? -36.025 -17.895 -11.728 1.00 40.37 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? -35.341 -19.102 -12.344 1.00 42.59 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? -35.399 -20.186 -11.751 1.00 40.68 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? -35.311 -17.541 -10.415 1.00 38.63 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? -36.080 -16.493 -9.640 1.00 35.86 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? -33.911 -16.974 -10.666 1.00 37.07 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? -35.919 -16.612 -8.148 1.00 37.99 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? -34.653 -18.933 -13.513 1.00 36.30 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -33.899 -20.010 -14.129 1.00 38.78 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -32.945 -20.698 -13.159 1.00 40.34 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -32.275 -20.040 -12.360 1.00 42.75 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -33.158 -19.310 -15.257 1.00 42.91 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? -34.089 -18.223 -15.637 1.00 40.30 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? -34.629 -17.737 -14.346 1.00 37.91 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -32.959 -22.029 -13.187 1.00 40.56 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -32.190 -22.842 -12.285 1.00 40.59 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -31.119 -23.390 -13.175 1.00 40.16 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -31.383 -24.110 -14.145 1.00 38.42 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -32.986 -23.982 -11.641 1.00 42.05 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -32.201 -24.963 -10.757 1.00 41.81 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -31.631 -24.221 -9.554 1.00 42.10 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -33.032 -26.178 -10.272 1.00 44.58 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -29.888 -23.003 -12.868 1.00 44.07 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -28.749 -23.460 -13.672 1.00 41.89 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -28.536 -24.939 -13.504 1.00 45.08 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -28.822 -25.493 -12.424 1.00 43.11 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -27.473 -22.696 -13.249 1.00 40.81 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -27.469 -21.199 -13.595 1.00 38.36 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -26.252 -20.481 -13.008 1.00 41.29 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -27.469 -20.983 -15.083 1.00 39.33 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -27.980 -25.553 -14.548 1.00 46.29 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -27.913 -27.003 -14.621 1.00 44.81 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -26.916 -27.512 -13.636 1.00 48.78 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -25.936 -26.861 -13.366 1.00 49.14 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -27.512 -27.484 -15.998 1.00 46.28 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -28.404 -27.157 -17.181 1.00 48.35 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -27.879 -27.799 -18.445 1.00 53.15 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -29.798 -27.668 -16.939 1.00 52.72 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -27.162 -28.693 -13.063 1.00 50.99 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -26.205 -29.200 -12.105 1.00 48.58 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -24.877 -29.551 -12.803 1.00 54.35 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -23.817 -29.422 -12.172 1.00 49.66 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -26.912 -30.446 -11.536 1.00 54.22 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -27.800 -30.880 -12.641 1.00 53.98 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -28.277 -29.628 -13.298 1.00 53.90 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -24.951 -29.906 -14.100 1.00 46.82 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -23.821 -30.458 -14.794 1.00 52.02 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -23.989 -30.320 -16.273 1.00 50.27 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -25.072 -30.518 -16.772 1.00 53.40 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -23.725 -31.935 -14.479 1.00 65.06 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -22.450 -32.414 -14.827 1.00 74.74 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -22.910 -29.959 -16.963 1.00 46.61 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -22.801 -30.029 -18.439 1.00 49.55 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -21.429 -30.627 -18.808 1.00 54.81 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -20.357 -30.190 -18.328 1.00 56.32 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -22.921 -28.682 -19.182 1.00 43.19 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -22.913 -28.903 -20.691 1.00 44.88 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -24.171 -27.906 -18.814 1.00 43.15 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -21.472 -31.625 -19.683 1.00 55.04 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -20.273 -32.357 -20.070 1.00 59.08 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -19.679 -31.822 -21.370 1.00 57.98 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -20.396 -31.415 -22.301 1.00 52.30 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -20.532 -33.870 -20.148 1.00 65.87 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -20.182 -34.481 -18.908 1.00 68.40 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.351 -31.776 -21.356 1.00 54.28 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -17.572 -31.460 -22.509 1.00 57.90 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -17.541 -29.975 -22.691 1.00 58.01 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -17.546 -29.220 -21.704 1.00 54.28 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -17.535 -29.587 -23.965 1.00 56.22 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -17.299 -28.212 -24.388 1.00 60.71 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -18.541 -27.336 -24.216 1.00 62.11 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -18.440 -26.096 -24.085 1.00 57.51 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -16.836 -28.192 -25.836 1.00 64.49 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -19.701 -27.987 -24.196 1.00 50.75 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -20.958 -27.305 -23.985 1.00 51.99 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -21.054 -26.598 -22.642 1.00 45.26 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -21.898 -25.739 -22.455 1.00 48.32 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -20.210 -26.965 -21.707 1.00 43.74 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -20.148 -26.302 -20.424 1.00 44.66 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -19.713 -24.835 -20.484 1.00 41.57 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -19.948 -24.061 -19.517 1.00 42.04 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -19.164 -27.068 -19.586 1.00 45.10 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -19.112 -26.646 -18.151 1.00 48.19 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -18.120 -27.572 -17.505 1.00 53.69 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -17.996 -27.269 -16.107 1.00 62.22 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -18.779 -27.762 -15.167 1.00 63.28 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -18.574 -27.402 -13.915 1.00 62.16 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -19.748 -28.624 -15.466 1.00 70.18 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -19.097 -24.436 -21.606 1.00 37.94 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -18.465 -23.111 -21.734 1.00 42.44 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -19.122 -22.162 -22.769 1.00 45.63 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -19.341 -22.521 -23.919 1.00 51.50 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -16.930 -23.271 -21.929 1.00 41.93 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -16.341 -24.207 -20.916 1.00 42.44 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -16.304 -23.896 -19.551 1.00 39.35 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -15.869 -25.468 -21.307 1.00 45.50 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -15.800 -24.812 -18.632 1.00 38.57 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.372 -26.379 -20.385 1.00 44.64 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.352 -26.054 -19.068 1.00 36.52 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -14.793 -26.995 -18.241 1.00 42.85 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -19.561 -21.001 -22.285 1.00 41.67 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -20.006 -19.886 -23.131 1.00 41.05 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -18.840 -18.945 -23.442 1.00 41.95 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -18.031 -18.662 -22.571 1.00 40.85 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -21.100 -19.130 -22.394 1.00 46.12 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -21.610 -17.844 -23.004 1.00 53.94 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -22.330 -18.088 -24.341 1.00 58.06 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -22.516 -17.221 -21.979 1.00 54.32 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -18.767 -18.452 -24.667 1.00 42.01 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -17.736 -17.499 -25.071 1.00 44.40 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -18.335 -16.110 -25.207 1.00 46.99 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -19.304 -15.917 -25.976 1.00 40.42 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -17.108 -17.896 -26.389 1.00 42.62 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -16.482 -19.267 -26.479 1.00 45.12 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -15.883 -19.403 -27.862 1.00 51.25 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -15.427 -19.436 -25.420 1.00 43.70 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -17.825 -15.169 -24.406 1.00 39.13 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -18.274 -13.794 -24.461 1.00 36.82 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -17.183 -13.019 -25.180 1.00 40.33 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -16.003 -12.985 -24.744 1.00 35.29 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -18.392 -13.118 -23.109 1.00 39.78 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -19.282 -13.695 -22.074 1.00 41.39 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -19.473 -12.370 -20.819 1.00 43.76 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -17.966 -12.541 -19.832 1.00 40.99 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -17.573 -12.353 -26.242 1.00 37.85 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -16.619 -11.531 -26.988 1.00 43.24 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -16.788 -10.119 -26.552 1.00 42.31 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? -17.856 -9.575 -26.719 1.00 40.10 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -16.881 -11.599 -28.467 1.00 44.59 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -16.849 -12.990 -29.007 1.00 55.03 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -15.688 -13.728 -29.083 1.00 62.24 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -17.838 -13.787 -29.479 1.00 60.95 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -15.955 -14.916 -29.605 1.00 63.28 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -17.255 -14.981 -29.844 1.00 67.46 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -15.741 -9.526 -25.988 1.00 40.08 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? -15.848 -8.156 -25.491 1.00 36.15 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? -14.931 -7.315 -26.282 1.00 33.38 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? -13.808 -7.722 -26.607 1.00 37.67 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? -15.475 -8.097 -24.020 1.00 34.49 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? -16.380 -8.992 -23.172 1.00 33.51 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? -15.808 -9.053 -21.776 1.00 36.74 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? -17.807 -8.529 -23.079 1.00 33.72 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? -15.424 -6.149 -26.655 1.00 36.81 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? -14.611 -5.211 -27.446 1.00 40.18 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? -14.473 -3.899 -26.730 1.00 37.61 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? -15.498 -3.326 -26.317 1.00 38.75 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? -15.294 -4.916 -28.775 1.00 43.15 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? -15.461 -6.108 -29.634 1.00 42.86 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? -16.496 -6.976 -29.420 1.00 43.66 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? -14.583 -6.350 -30.682 1.00 50.09 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? -16.662 -8.093 -30.198 1.00 49.12 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? -14.741 -7.475 -31.488 1.00 52.33 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? -15.780 -8.356 -31.243 1.00 46.10 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? -13.246 -3.378 -26.642 1.00 40.27 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? -13.009 -2.053 -25.984 1.00 40.53 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? -13.427 -0.884 -26.903 1.00 40.12 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? -13.900 -1.170 -28.009 1.00 44.48 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? -11.570 -1.918 -25.450 1.00 38.60 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? -10.494 -1.830 -26.534 1.00 42.85 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? -10.751 -1.667 -27.743 1.00 42.07 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? -9.238 -1.997 -26.088 1.00 37.30 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? -13.322 0.372 -26.446 1.00 41.88 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? -13.728 1.562 -27.271 1.00 47.11 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? -13.044 1.526 -28.646 1.00 46.99 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? -13.669 1.836 -29.669 1.00 51.87 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? -13.513 2.941 -26.595 1.00 45.83 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? -14.339 3.227 -25.312 1.00 58.15 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? -15.741 2.961 -25.241 1.00 64.61 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? -13.736 3.793 -24.172 1.00 58.41 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? -16.495 3.212 -24.057 1.00 56.34 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? -14.462 4.044 -23.005 1.00 50.79 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? -15.827 3.762 -22.934 1.00 55.98 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? -16.521 4.031 -21.755 1.00 55.44 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? -11.818 1.041 -28.672 1.00 43.75 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? -10.980 1.060 -29.879 1.00 50.75 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? -11.204 -0.150 -30.734 1.00 47.60 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? -10.609 -0.292 -31.779 1.00 53.42 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? -9.518 1.052 -29.505 1.00 52.25 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? -9.028 2.377 -28.980 1.00 56.40 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? -9.828 3.264 -28.620 1.00 64.46 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? -7.803 2.511 -28.910 1.00 65.72 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? -12.048 -1.047 -30.283 1.00 43.71 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? -12.359 -2.237 -31.065 1.00 47.34 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? -11.504 -3.485 -30.828 1.00 46.08 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? -11.720 -4.512 -31.465 1.00 43.94 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? -10.517 -3.407 -29.939 1.00 45.05 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? -9.737 -4.583 -29.597 1.00 45.02 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? -10.617 -5.495 -28.765 1.00 44.06 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? -11.585 -5.044 -28.121 1.00 48.32 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? -8.480 -4.189 -28.831 1.00 50.48 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? -7.425 -3.540 -29.710 1.00 56.86 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? -6.273 -3.455 -29.318 1.00 72.91 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? -7.796 -3.090 -30.894 1.00 59.48 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -10.344 -6.776 -28.857 1.00 45.42 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -11.228 -7.749 -28.278 1.00 46.22 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -10.519 -8.749 -27.390 1.00 43.25 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -9.356 -9.075 -27.582 1.00 45.94 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -12.028 -8.521 -29.346 1.00 49.46 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -12.937 -9.414 -28.697 1.00 47.44 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -11.151 -9.310 -30.239 1.00 51.76 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -11.246 -9.187 -26.373 1.00 39.19 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -10.948 -10.449 -25.727 1.00 36.02 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -12.181 -11.343 -25.822 1.00 38.50 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -13.301 -10.853 -25.987 1.00 41.18 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -10.507 -10.255 -24.282 1.00 35.12 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -11.608 -9.714 -23.371 1.00 34.80 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -9.373 -9.292 -24.197 1.00 35.58 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -11.163 -9.714 -21.924 1.00 39.24 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -11.958 -12.654 -25.712 1.00 34.62 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -12.988 -13.597 -25.553 1.00 37.24 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -12.895 -14.264 -24.196 1.00 36.80 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -11.848 -14.886 -23.847 1.00 35.26 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -12.905 -14.657 -26.674 1.00 37.24 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -12.950 -13.957 -27.916 1.00 41.68 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -14.053 -15.590 -26.575 1.00 36.73 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -13.997 -14.193 -23.460 1.00 33.95 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -14.029 -14.759 -22.108 1.00 34.64 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -14.832 -16.034 -22.075 1.00 35.05 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -15.942 -16.096 -22.616 1.00 34.49 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -14.633 -13.722 -21.129 1.00 31.88 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -14.614 -14.191 -19.689 1.00 32.63 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -13.855 -12.447 -21.228 1.00 30.62 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -14.262 -17.053 -21.420 1.00 35.23 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -14.916 -18.354 -21.216 1.00 36.81 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -15.579 -18.403 -19.896 1.00 36.35 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -14.962 -18.206 -18.843 1.00 36.31 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -13.910 -19.477 -21.291 1.00 37.69 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -16.862 -18.726 -19.940 1.00 36.48 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -17.694 -18.695 -18.772 1.00 34.66 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -18.362 -20.068 -18.622 1.00 39.83 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -18.910 -20.616 -19.606 1.00 39.75 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -18.791 -17.687 -18.938 1.00 36.02 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -19.760 -17.683 -17.720 1.00 35.34 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -18.231 -16.294 -19.179 1.00 38.99 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -18.324 -20.588 -17.415 1.00 38.13 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -18.921 -21.884 -17.104 1.00 42.60 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -20.415 -21.668 -16.938 1.00 44.12 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -20.861 -20.845 -16.093 1.00 38.37 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -18.271 -22.459 -15.838 1.00 40.61 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -18.939 -23.759 -15.348 1.00 46.81 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -20.181 -23.918 -15.434 1.00 44.35 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -18.216 -24.596 -14.787 1.00 43.56 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -21.202 -22.394 -17.737 1.00 40.13 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -22.633 -22.070 -17.827 1.00 46.37 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -23.414 -22.608 -16.659 1.00 40.41 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -24.584 -22.262 -16.468 1.00 49.03 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -23.295 -22.518 -19.124 1.00 47.64 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -22.536 -21.992 -20.332 1.00 49.50 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -23.423 -24.011 -19.159 1.00 47.50 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -22.757 -23.402 -15.839 1.00 38.50 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -23.429 -23.937 -14.672 1.00 38.62 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -23.322 -23.076 -13.441 1.00 39.11 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -24.072 -23.239 -12.505 1.00 36.67 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -22.916 -25.313 -14.349 1.00 42.31 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -21.574 -25.233 -13.883 1.00 39.62 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -23.051 -26.228 -15.610 1.00 47.44 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -22.432 -22.094 -13.447 1.00 36.94 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -22.244 -21.268 -12.250 1.00 35.74 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -21.865 -19.811 -12.516 1.00 35.90 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -21.739 -19.012 -11.580 1.00 34.40 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -21.196 -21.933 -11.351 1.00 37.67 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -19.887 -22.204 -12.067 1.00 39.37 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -19.588 -21.635 -13.120 1.00 41.00 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -19.109 -23.082 -11.504 1.00 39.52 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -21.660 -19.520 -13.805 1.00 34.68 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -21.368 -18.187 -14.361 1.00 36.53 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -19.960 -17.760 -13.892 1.00 37.38 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -19.658 -16.565 -13.783 1.00 34.28 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -22.416 -17.076 -13.978 1.00 38.17 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -22.476 -16.030 -15.083 1.00 36.55 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -23.839 -17.629 -13.747 1.00 39.91 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -19.099 -18.745 -13.641 1.00 34.15 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -17.708 -18.471 -13.277 1.00 37.09 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -16.889 -18.234 -14.531 1.00 35.27 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -16.940 -19.006 -15.475 1.00 35.31 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -17.094 -19.618 -12.485 1.00 37.63 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -17.483 -19.719 -11.019 1.00 45.79 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -18.604 -19.080 -10.506 1.00 41.72 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -16.719 -20.508 -10.147 1.00 51.56 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -18.949 -19.204 -9.167 1.00 49.09 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -17.043 -20.618 -8.813 1.00 57.89 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -18.160 -19.972 -8.336 1.00 60.53 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -18.462 -20.096 -7.017 1.00 72.27 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -16.077 -17.197 -14.516 1.00 32.26 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -15.091 -16.965 -15.569 1.00 31.96 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -13.954 -17.930 -15.289 1.00 33.24 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -13.401 -17.926 -14.192 1.00 34.12 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -14.676 -15.489 -15.543 1.00 37.05 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -15.892 -14.623 -15.905 1.00 40.32 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -13.481 -15.274 -16.442 1.00 39.54 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -15.687 -13.146 -15.676 1.00 43.94 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -13.604 -18.743 -16.290 1.00 31.42 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -12.527 -19.695 -16.232 1.00 33.42 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.207 -19.120 -16.783 1.00 31.32 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -10.129 -19.421 -16.278 1.00 31.94 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -12.885 -20.964 -17.082 1.00 38.66 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -14.111 -21.762 -16.612 1.00 43.14 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -13.849 -22.412 -14.954 1.00 49.89 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -14.468 -21.166 -13.872 1.00 45.46 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -11.314 -18.271 -17.804 1.00 33.34 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.157 -17.838 -18.532 1.00 28.56 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -10.575 -16.959 -19.682 1.00 29.49 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -11.746 -16.630 -19.782 1.00 34.76 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.619 -16.578 -20.532 1.00 31.16 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -9.917 -15.661 -21.624 1.00 32.53 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -8.785 -15.743 -22.662 1.00 35.92 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -7.697 -16.206 -22.354 1.00 36.40 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -10.165 -14.213 -21.084 1.00 33.48 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -8.991 -13.664 -20.354 1.00 34.75 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -8.843 -13.874 -18.994 1.00 35.97 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -7.991 -12.948 -21.017 1.00 34.55 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.740 -13.422 -18.307 1.00 33.12 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -6.873 -12.512 -20.334 1.00 30.64 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -6.763 -12.752 -18.970 1.00 34.13 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -5.643 -12.338 -18.238 1.00 37.86 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -9.031 -15.200 -23.848 1.00 32.86 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -8.104 -15.237 -24.956 1.00 37.04 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -7.879 -13.821 -25.401 1.00 38.74 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -8.866 -13.088 -25.661 1.00 39.57 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -8.737 -16.066 -26.112 1.00 37.51 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -7.982 -16.120 -27.454 1.00 41.73 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -6.741 -16.954 -27.262 1.00 44.04 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -8.825 -16.739 -28.588 1.00 45.02 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -6.613 -13.398 -25.481 1.00 39.05 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -6.241 -12.067 -25.952 1.00 40.88 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -5.181 -12.267 -27.030 1.00 46.15 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -4.135 -12.849 -26.717 1.00 43.07 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -5.683 -11.235 -24.817 1.00 47.27 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -5.478 -11.811 -28.263 1.00 47.42 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -4.774 -12.169 -29.532 0.50 46.70 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -4.588 -13.690 -29.743 1.00 47.14 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -5.516 -14.431 -30.064 1.00 51.58 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -3.445 -11.419 -29.639 0.50 48.49 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -3.496 -9.994 -30.176 0.50 47.78 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -3.839 -10.011 -31.654 0.50 49.17 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -4.469 -9.143 -29.379 0.50 44.65 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -3.393 -14.187 -29.487 1.00 48.30 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -3.119 -15.609 -29.633 1.00 48.58 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -2.717 -16.222 -28.282 1.00 44.97 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -2.124 -17.283 -28.243 1.00 44.43 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -1.967 -15.846 -30.648 1.00 50.19 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -0.740 -15.330 -30.119 1.00 52.24 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -2.259 -15.196 -31.986 1.00 56.13 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -2.973 -15.522 -27.180 1.00 38.31 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -2.566 -16.045 -25.878 1.00 36.59 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -3.785 -16.290 -25.010 1.00 36.70 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -4.632 -15.403 -24.857 1.00 37.42 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -1.597 -15.107 -25.124 1.00 37.33 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -0.409 -14.889 -25.899 1.00 39.16 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -1.177 -15.710 -23.815 1.00 36.93 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -3.832 -17.466 -24.408 1.00 34.75 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -4.941 -17.829 -23.525 1.00 34.85 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -4.469 -17.712 -22.074 1.00 35.22 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -3.272 -17.832 -21.831 1.00 33.49 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -5.457 -19.202 -23.884 1.00 36.43 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -4.678 -20.234 -23.377 1.00 35.55 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -5.384 -17.384 -21.155 1.00 34.80 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -5.069 -17.128 -19.761 1.00 30.52 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -6.150 -17.839 -18.930 1.00 32.62 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -7.323 -17.678 -19.193 1.00 33.55 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -5.126 -15.596 -19.471 1.00 32.61 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -4.116 -14.754 -20.278 1.00 31.69 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -4.423 -14.280 -21.555 1.00 30.30 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -2.895 -14.437 -19.747 1.00 32.80 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -3.520 -13.502 -22.275 1.00 34.53 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -1.950 -13.645 -20.459 1.00 35.43 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -2.260 -13.203 -21.726 1.00 37.13 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -1.356 -12.450 -22.462 1.00 38.67 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -5.776 -18.603 -17.923 1.00 28.97 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -6.736 -19.325 -17.117 1.00 33.09 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -6.403 -19.187 -15.687 1.00 32.12 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -5.232 -19.138 -15.346 1.00 32.44 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -6.701 -20.805 -17.461 1.00 35.90 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -7.296 -21.128 -18.821 1.00 34.05 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -6.527 -21.119 -19.934 1.00 34.08 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -8.595 -21.421 -18.945 1.00 36.13 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -7.052 -21.405 -21.169 1.00 36.21 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -9.160 -21.708 -20.185 1.00 40.28 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -8.378 -21.704 -21.303 1.00 38.90 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -7.397 -19.229 -14.829 1.00 35.53 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -7.097 -19.138 -13.378 1.00 33.92 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -6.354 -20.360 -12.906 1.00 35.90 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -6.374 -21.405 -13.573 1.00 33.99 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -8.365 -18.970 -12.542 1.00 35.85 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -9.006 -17.600 -12.644 1.00 34.49 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -8.363 -16.482 -12.139 1.00 35.50 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.293 -17.447 -13.174 1.00 34.77 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.931 -15.237 -12.213 1.00 36.79 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -10.877 -16.187 -13.223 1.00 34.82 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -10.195 -15.087 -12.736 1.00 36.61 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -5.703 -20.245 -11.747 1.00 36.88 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -4.930 -21.346 -11.211 1.00 38.55 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -5.849 -22.143 -10.282 1.00 42.68 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -5.881 -21.956 -9.061 1.00 38.30 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -3.727 -20.875 -10.420 1.00 41.65 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -2.777 -22.016 -10.087 1.00 43.58 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -2.732 -22.998 -10.779 1.00 43.57 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -2.030 -21.876 -9.005 1.00 47.87 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -6.671 -22.956 -10.916 1.00 41.27 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -7.682 -23.755 -10.231 1.00 46.38 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -8.137 -24.921 -11.177 1.00 46.88 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -8.136 -24.799 -12.440 1.00 40.82 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -8.855 -22.868 -9.785 1.00 43.97 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -9.716 -22.485 -10.993 1.00 53.45 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -10.629 -21.287 -10.803 1.00 53.84 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -10.490 -20.581 -9.776 1.00 48.07 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -11.483 -21.043 -11.728 1.00 59.87 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -8.509 -26.082 -10.570 1.00 47.24 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -8.834 -27.299 -11.373 1.00 45.94 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -9.929 -27.086 -12.422 1.00 43.64 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -9.844 -27.565 -13.571 1.00 43.94 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -9.298 -28.311 -10.299 1.00 49.10 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -8.582 -27.881 -9.046 1.00 48.82 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -8.398 -26.373 -9.123 1.00 46.32 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -10.945 -26.341 -12.040 1.00 42.89 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -12.060 -26.094 -12.938 1.00 44.47 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -11.609 -25.431 -14.240 1.00 42.53 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -12.110 -25.746 -15.360 1.00 44.45 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -13.058 -25.195 -12.237 1.00 46.70 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -10.674 -24.494 -14.084 1.00 38.87 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -10.192 -23.698 -15.193 1.00 40.34 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -9.267 -24.550 -15.989 1.00 44.08 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -9.285 -24.508 -17.207 1.00 42.02 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -9.513 -22.420 -14.697 1.00 41.58 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -8.469 -25.353 -15.293 1.00 48.42 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -7.553 -26.267 -15.957 1.00 48.13 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -8.355 -27.164 -16.887 1.00 44.92 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -8.010 -27.352 -18.062 1.00 43.24 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -6.751 -27.060 -14.899 1.00 55.51 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -5.379 -27.557 -15.416 1.00 67.02 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -4.825 -27.041 -16.450 1.00 75.68 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -4.828 -28.461 -14.745 1.00 82.39 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -9.476 -27.673 -16.386 1.00 40.89 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -10.357 -28.499 -17.200 1.00 42.45 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -10.876 -27.759 -18.390 1.00 42.44 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -10.942 -28.279 -19.501 1.00 43.45 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -11.570 -28.950 -16.377 1.00 50.55 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -12.585 -29.801 -17.181 1.00 54.15 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -11.899 -30.996 -17.840 1.00 53.82 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -13.703 -30.266 -16.262 1.00 54.91 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -11.303 -26.525 -18.144 1.00 38.31 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -11.887 -25.750 -19.203 1.00 36.74 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -10.863 -25.565 -20.292 1.00 33.57 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -11.217 -25.441 -21.474 1.00 39.14 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -12.390 -24.413 -18.644 1.00 39.64 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -9.590 -25.572 -19.945 1.00 32.78 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -8.517 -25.295 -20.955 1.00 36.58 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -8.372 -26.483 -21.949 1.00 42.19 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -7.794 -26.355 -23.050 1.00 45.31 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -7.183 -24.979 -20.275 1.00 36.83 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -6.649 -26.109 -19.585 1.00 42.62 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -9.014 -27.606 -21.615 1.00 44.66 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -9.083 -28.731 -22.538 1.00 46.83 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -10.037 -28.553 -23.688 1.00 50.58 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -9.945 -29.286 -24.683 1.00 44.32 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -9.481 -29.979 -21.788 1.00 49.70 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -8.445 -30.341 -20.756 1.00 55.46 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -8.623 -31.746 -20.275 1.00 61.28 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -9.437 -32.510 -20.821 1.00 60.40 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -7.878 -32.104 -19.240 1.00 66.28 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -10.963 -27.614 -23.532 1.00 46.20 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -12.089 -27.445 -24.418 1.00 48.59 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -12.132 -26.118 -25.093 1.00 50.31 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -12.770 -26.022 -26.111 1.00 57.48 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -13.392 -27.621 -23.620 1.00 48.32 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -13.515 -29.002 -23.042 1.00 50.44 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -13.894 -30.090 -23.865 1.00 57.62 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -13.247 -29.248 -21.697 1.00 54.11 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -13.995 -31.363 -23.348 1.00 56.93 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -13.336 -30.515 -21.166 1.00 50.63 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -13.717 -31.564 -21.995 1.00 59.91 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -13.816 -32.827 -21.486 1.00 62.22 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -11.527 -25.071 -24.515 1.00 48.76 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -11.594 -23.729 -25.123 1.00 45.96 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -10.250 -23.112 -25.418 1.00 43.36 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -9.270 -23.278 -24.648 1.00 40.17 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -12.429 -22.729 -24.302 1.00 48.08 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -13.865 -23.208 -24.181 1.00 49.64 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -11.833 -22.478 -22.912 1.00 50.69 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -10.265 -22.354 -26.521 1.00 38.89 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -9.127 -21.570 -27.012 1.00 40.46 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -7.995 -22.478 -27.432 1.00 46.56 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -6.812 -22.189 -27.227 1.00 43.55 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -8.602 -20.581 -25.970 1.00 42.42 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -9.662 -19.737 -25.353 1.00 39.98 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -10.676 -19.162 -26.142 1.00 36.12 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -9.647 -19.516 -23.997 1.00 40.15 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -11.655 -18.392 -25.545 1.00 42.03 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -10.608 -18.718 -23.403 1.00 38.28 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -11.622 -18.161 -24.166 1.00 40.67 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -8.378 -23.570 -28.050 1.00 57.35 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -7.469 -24.650 -28.336 1.00 65.76 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -6.375 -24.131 -29.270 1.00 61.24 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -5.206 -24.525 -29.159 1.00 52.04 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -8.282 -25.771 -28.979 1.00 78.44 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -9.345 -26.342 -28.039 1.00 81.20 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -8.705 -27.120 -26.910 1.00 84.00 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -7.806 -28.109 -27.480 1.00 92.41 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -7.071 -28.973 -26.792 1.00 98.22 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -6.283 -29.822 -27.455 1.00 89.42 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -7.119 -28.989 -25.463 1.00 99.92 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -6.782 -23.208 -30.139 1.00 52.90 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -5.919 -22.610 -31.108 1.00 53.67 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -4.958 -21.541 -30.612 1.00 55.60 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -4.134 -21.073 -31.402 1.00 59.85 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -6.784 -22.038 -32.204 1.00 57.50 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -7.232 -23.133 -32.986 1.00 66.46 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -5.015 -21.151 -29.337 1.00 50.67 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -4.024 -20.176 -28.824 1.00 49.45 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -2.627 -20.722 -29.029 1.00 51.75 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -2.383 -21.920 -28.850 1.00 50.90 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -4.228 -19.832 -27.349 1.00 46.08 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -1.718 -19.824 -29.398 1.00 48.02 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -0.313 -20.165 -29.552 1.00 50.41 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 0.345 -20.487 -28.232 1.00 46.80 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 1.221 -21.300 -28.235 1.00 41.69 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 0.467 -19.091 -30.342 1.00 59.79 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? 0.030 -19.026 -31.819 1.00 73.45 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 0.881 -18.146 -32.750 1.00 87.26 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 2.305 -18.491 -32.685 1.00 100.97 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 3.216 -17.868 -31.930 1.00 116.23 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 2.883 -16.826 -31.169 1.00 125.07 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 4.481 -18.287 -31.932 1.00 117.44 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -0.091 -19.904 -27.108 1.00 41.65 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 0.343 -20.329 -25.767 1.00 37.68 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -0.701 -20.061 -24.697 1.00 35.53 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -1.615 -19.285 -24.887 1.00 38.82 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 1.683 -19.723 -25.361 1.00 46.96 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 1.653 -18.323 -24.745 1.00 49.03 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 2.611 -17.403 -25.466 1.00 54.86 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 1.894 -16.701 -26.511 1.00 62.76 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 2.416 -16.220 -27.627 1.00 56.66 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 3.684 -16.376 -27.899 1.00 59.33 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 1.642 -15.572 -28.469 1.00 54.33 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -0.530 -20.742 -23.584 1.00 32.96 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -1.463 -20.737 -22.516 1.00 37.18 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -0.741 -20.316 -21.270 1.00 40.76 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 0.191 -21.010 -20.844 1.00 40.91 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -2.055 -22.142 -22.260 1.00 39.06 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -2.953 -22.127 -21.024 1.00 42.48 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -3.560 -23.461 -20.718 1.00 43.71 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -2.774 -24.181 -19.644 1.00 44.07 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -3.563 -25.363 -19.242 1.00 50.23 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -1.191 -19.221 -20.647 1.00 35.42 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -0.640 -18.795 -19.368 1.00 32.66 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -1.598 -19.084 -18.193 1.00 33.65 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -2.776 -18.762 -18.258 1.00 35.82 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -0.318 -17.284 -19.483 1.00 34.26 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 0.871 -17.089 -20.423 1.00 37.41 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -0.097 -16.655 -18.114 1.00 36.25 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 1.149 -15.636 -20.702 1.00 43.27 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -1.106 -19.711 -17.136 1.00 32.39 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -1.889 -19.867 -15.941 1.00 32.47 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -1.610 -18.688 -15.055 1.00 31.08 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -0.492 -18.411 -14.733 1.00 35.13 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -1.594 -21.199 -15.218 1.00 36.61 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -1.767 -22.273 -16.151 1.00 35.16 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -2.546 -21.416 -13.999 1.00 36.59 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -2.643 -17.963 -14.701 1.00 30.91 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -2.489 -16.839 -13.805 1.00 33.51 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -2.009 -17.315 -12.417 1.00 35.99 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -2.328 -18.426 -11.997 1.00 36.01 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -3.829 -16.106 -13.718 1.00 33.80 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -4.372 -15.596 -15.045 1.00 35.26 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -5.823 -15.171 -14.937 1.00 37.14 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -3.526 -14.454 -15.613 1.00 37.24 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -1.282 -16.461 -11.677 1.00 35.72 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -0.789 -16.871 -10.376 1.00 39.22 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -1.755 -16.652 -9.248 1.00 43.62 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -1.348 -16.118 -8.214 1.00 43.94 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 0.409 -15.929 -10.135 1.00 35.69 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 0.036 -14.724 -10.872 1.00 39.70 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -0.776 -15.147 -12.056 1.00 35.91 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -3.016 -17.015 -9.463 1.00 38.26 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -4.058 -16.963 -8.452 1.00 39.39 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -5.285 -17.649 -9.041 1.00 37.83 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -5.426 -17.800 -10.273 1.00 35.62 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -4.396 -15.516 -7.994 1.00 34.84 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -4.343 -14.517 -9.138 1.00 35.23 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -5.347 -14.479 -10.121 1.00 35.49 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -3.289 -13.634 -9.263 1.00 31.92 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -5.252 -13.592 -11.210 1.00 35.05 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -3.202 -12.736 -10.342 1.00 31.76 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -4.173 -12.740 -11.326 1.00 31.21 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -4.076 -11.836 -12.374 1.00 31.83 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -6.133 -18.133 -8.145 1.00 37.49 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -7.430 -18.654 -8.510 1.00 43.64 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -8.361 -17.471 -8.747 1.00 39.65 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -8.040 -16.329 -8.408 1.00 39.95 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -8.004 -19.436 -7.336 1.00 48.60 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -8.202 -18.501 -6.292 1.00 48.84 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -9.537 -17.748 -9.273 1.00 36.51 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -10.510 -16.678 -9.543 1.00 37.82 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -11.476 -16.236 -8.460 1.00 38.24 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -12.435 -15.539 -8.750 1.00 37.47 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -11.314 -16.648 -7.221 1.00 37.32 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -12.263 -16.162 -6.222 1.00 42.03 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -11.895 -14.834 -5.664 1.00 37.98 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -10.776 -14.389 -5.667 1.00 37.64 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -12.478 -17.122 -5.095 1.00 50.97 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -11.234 -17.314 -4.288 1.00 54.28 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.924 -16.538 -3.380 1.00 55.38 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -10.502 -18.357 -4.621 1.00 60.82 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -12.900 -14.161 -5.191 1.00 38.85 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -12.733 -12.780 -4.887 1.00 40.10 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -11.617 -12.599 -3.861 1.00 41.28 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -10.867 -11.637 -3.920 1.00 38.77 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -14.003 -12.251 -4.319 1.00 42.32 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -15.051 -11.898 -5.326 1.00 46.10 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -14.739 -11.152 -6.456 1.00 50.41 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -16.382 -12.241 -5.111 1.00 44.80 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -15.719 -10.749 -7.351 1.00 49.03 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -17.367 -11.855 -6.000 1.00 45.97 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -17.031 -11.092 -7.118 1.00 46.73 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -17.997 -10.713 -8.035 1.00 44.04 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -11.531 -13.494 -2.897 1.00 40.70 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -10.504 -13.287 -1.851 1.00 48.04 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -9.114 -13.302 -2.460 1.00 39.66 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -8.289 -12.442 -2.137 1.00 45.59 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -10.555 -14.330 -0.721 1.00 59.68 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -11.885 -14.369 -0.001 1.00 73.11 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -12.886 -15.254 -0.725 1.00 84.78 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -13.759 -14.714 -1.459 1.00 79.67 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -12.765 -16.501 -0.587 1.00 98.95 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -8.844 -14.245 -3.345 1.00 38.55 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -7.492 -14.340 -3.908 1.00 40.10 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -7.206 -13.235 -4.887 1.00 38.75 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -6.047 -12.813 -5.052 1.00 39.73 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -7.277 -15.685 -4.572 1.00 47.03 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -7.527 -16.842 -3.612 1.00 57.30 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -6.996 -16.571 -2.194 1.00 70.50 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -6.771 -17.806 -1.426 1.00 85.34 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -5.659 -18.556 -1.470 1.00 94.16 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -4.619 -18.223 -2.244 1.00 97.72 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -5.577 -19.656 -0.727 1.00 91.99 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -8.240 -12.783 -5.582 1.00 36.23 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -8.069 -11.705 -6.535 1.00 32.45 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -7.799 -10.427 -5.816 1.00 33.12 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -7.011 -9.621 -6.278 1.00 34.93 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -9.326 -11.546 -7.395 1.00 31.58 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -9.549 -12.640 -8.443 1.00 30.34 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -10.886 -12.460 -9.167 1.00 31.00 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -8.415 -12.513 -9.425 1.00 34.41 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -8.460 -10.210 -4.675 1.00 33.82 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -8.270 -8.951 -3.990 1.00 34.78 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -6.843 -8.871 -3.432 1.00 36.71 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -6.149 -7.862 -3.545 1.00 41.09 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -9.316 -8.819 -2.885 1.00 39.43 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -10.697 -8.382 -3.374 1.00 37.11 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -11.813 -8.517 -2.308 1.00 37.45 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -12.925 -8.062 -2.510 1.00 39.73 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -11.525 -9.177 -1.215 1.00 38.20 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -6.377 -9.981 -2.935 1.00 37.71 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -4.978 -10.055 -2.499 1.00 44.34 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -4.014 -9.710 -3.611 1.00 42.64 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -3.185 -8.828 -3.490 1.00 39.53 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -4.715 -11.442 -1.930 1.00 46.70 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -5.453 -11.529 -0.577 1.00 52.23 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -3.222 -11.728 -1.769 1.00 47.40 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -5.790 -12.939 -0.086 1.00 56.37 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -4.158 -10.393 -4.732 1.00 43.05 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -3.281 -10.164 -5.851 1.00 37.51 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -3.315 -8.765 -6.372 1.00 41.60 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -2.291 -8.207 -6.725 1.00 40.92 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -3.575 -11.155 -6.979 1.00 39.78 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.503 -8.179 -6.420 1.00 38.08 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -4.669 -6.827 -6.871 1.00 39.94 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -4.203 -5.815 -5.863 1.00 43.47 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -3.857 -4.697 -6.231 1.00 44.48 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -6.119 -6.578 -7.201 1.00 41.34 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -4.253 -6.183 -4.596 1.00 44.44 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -3.694 -5.326 -3.517 1.00 50.82 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -4.743 -4.399 -2.939 1.00 51.59 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -4.425 -3.347 -2.410 1.00 49.76 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -6.019 -4.753 -3.110 1.00 50.56 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? -7.100 -3.919 -2.610 1.00 53.68 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? -8.423 -4.631 -2.733 1.00 48.97 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -8.625 -5.389 -3.663 1.00 39.51 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? -7.166 -2.563 -3.339 1.00 62.19 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? -6.842 -2.587 -4.824 1.00 66.99 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? -7.237 -1.286 -5.528 1.00 65.95 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? -6.892 -0.046 -4.723 1.00 73.43 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? -6.953 1.176 -5.566 1.00 76.39 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? -9.333 -4.385 -1.796 1.00 48.00 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? -10.588 -5.097 -1.914 1.00 48.51 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? -11.553 -4.410 -2.902 1.00 45.96 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? -11.364 -3.237 -3.260 1.00 43.90 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? -11.145 -5.042 -0.496 1.00 47.84 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? -10.673 -3.725 -0.003 1.00 46.34 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? -9.280 -3.593 -0.556 1.00 49.78 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? -12.626 -5.122 -3.222 1.00 44.59 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? -13.612 -4.683 -4.187 1.00 43.52 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? -14.202 -3.386 -3.857 1.00 41.03 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? -14.538 -2.602 -4.769 1.00 38.83 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? -14.786 -5.679 -4.261 1.00 41.55 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? -14.293 -6.887 -4.960 1.00 45.25 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? -15.270 -7.855 -5.440 1.00 43.76 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? -16.393 -8.251 -4.637 1.00 44.20 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? -16.396 -8.975 -3.547 1.00 47.89 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -15.295 -9.213 -2.929 1.00 48.93 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? -17.571 -9.353 -3.028 1.00 47.56 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? -14.392 -3.183 -2.572 1.00 39.64 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? -14.927 -1.927 -2.063 1.00 41.99 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? -14.260 -0.676 -2.559 1.00 37.82 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? -14.840 0.391 -2.501 1.00 42.36 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? -14.819 -1.921 -0.545 1.00 51.65 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? -15.840 -2.756 0.165 1.00 50.78 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? -15.470 -4.216 0.306 1.00 58.56 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? -16.263 -4.914 1.002 1.00 56.10 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? -14.435 -4.662 -0.254 1.00 53.11 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? -13.008 -0.781 -2.988 1.00 39.58 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? -12.190 0.353 -3.375 1.00 38.57 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? -11.844 0.382 -4.840 1.00 43.17 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? -11.160 1.298 -5.268 1.00 40.49 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? -10.882 0.316 -2.589 1.00 49.99 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? -11.093 0.354 -1.089 1.00 51.85 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? -9.746 0.464 -0.389 1.00 66.56 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? -9.863 0.533 1.131 1.00 71.19 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? -10.732 1.671 1.556 1.00 77.82 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? -12.335 -0.585 -5.622 1.00 37.82 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -12.106 -0.594 -7.016 1.00 37.87 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -13.345 -0.105 -7.765 1.00 38.17 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -14.392 -0.778 -7.753 1.00 36.88 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -11.784 -2.004 -7.509 1.00 35.55 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -10.593 -2.555 -6.701 1.00 44.09 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -11.460 -1.982 -8.996 1.00 34.39 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -10.235 -4.000 -6.973 1.00 40.68 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? -13.239 1.039 -8.449 1.00 36.67 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? -14.422 1.545 -9.169 1.00 33.48 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? -14.826 0.621 -10.314 1.00 34.18 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? -13.968 0.062 -10.960 1.00 33.99 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? -13.962 2.895 -9.748 1.00 34.43 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? -12.755 3.253 -8.967 1.00 38.39 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? -12.109 2.004 -8.484 1.00 38.53 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? -16.128 0.464 -10.522 1.00 34.61 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? -16.620 -0.353 -11.596 1.00 32.64 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? -17.533 0.525 -12.440 1.00 29.60 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? -17.968 1.628 -12.013 1.00 29.13 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? -17.325 -1.648 -11.075 1.00 36.01 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? -18.448 -1.330 -10.128 1.00 38.56 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? -16.310 -2.569 -10.322 1.00 34.01 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? -19.086 -2.577 -9.521 1.00 41.26 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? -17.874 0.025 -13.608 1.00 31.19 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -18.696 0.770 -14.541 1.00 28.25 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -18.267 0.375 -15.912 1.00 32.21 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -17.402 -0.524 -16.113 1.00 31.40 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? -18.881 1.001 -16.905 1.00 32.90 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? -18.528 0.604 -18.278 1.00 32.62 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? -17.135 1.132 -18.662 1.00 33.23 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? -16.407 0.434 -19.314 1.00 34.37 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? -19.577 1.071 -19.300 1.00 34.05 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? -20.936 0.385 -19.194 1.00 35.23 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? -21.811 0.766 -20.405 1.00 41.54 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? -20.785 -1.099 -19.144 1.00 34.49 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? -16.762 2.340 -18.206 1.00 31.98 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? -15.423 2.766 -18.533 1.00 33.67 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? -14.373 1.875 -17.849 1.00 29.37 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? -13.332 1.622 -18.433 1.00 31.16 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? -15.370 4.192 -17.949 1.00 35.40 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? -16.790 4.692 -18.115 1.00 35.11 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? -17.558 3.475 -17.653 1.00 32.21 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? -14.677 1.390 -16.654 1.00 29.02 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? -13.786 0.443 -15.952 1.00 29.88 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? -13.709 -0.834 -16.754 1.00 29.33 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? -12.643 -1.453 -16.853 1.00 29.13 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? -14.260 0.147 -14.535 1.00 31.16 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? -14.808 -1.220 -17.379 1.00 31.22 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? -14.754 -2.421 -18.166 1.00 30.71 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? -13.893 -2.211 -19.438 1.00 34.96 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? -13.120 -3.076 -19.796 1.00 30.91 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? -16.151 -2.893 -18.473 1.00 34.04 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? -16.280 -4.093 -19.433 1.00 33.38 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? -15.565 -5.307 -18.866 1.00 33.35 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? -17.757 -4.367 -19.738 1.00 35.54 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? -14.044 -1.075 -20.128 1.00 33.37 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? -13.078 -0.742 -21.203 1.00 35.18 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? -11.593 -0.834 -20.778 1.00 33.24 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? -10.778 -1.447 -21.452 1.00 36.60 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? -13.419 0.613 -21.817 1.00 36.41 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? -12.326 1.134 -22.742 1.00 43.80 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? -12.260 0.648 -23.885 1.00 48.27 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? -11.537 1.985 -22.284 1.00 50.99 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? -11.239 -0.217 -19.668 1.00 34.37 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? -9.911 -0.358 -19.082 1.00 37.30 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? -9.556 -1.786 -18.823 1.00 37.79 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? -8.422 -2.177 -19.042 1.00 34.07 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? -9.851 0.266 -17.677 1.00 38.01 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? -10.373 1.568 -17.744 1.00 60.63 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? -8.528 0.341 -17.171 1.00 41.40 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? -10.502 -2.561 -18.299 1.00 33.25 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? -10.168 -3.950 -17.930 1.00 32.72 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? -9.817 -4.749 -19.184 1.00 32.15 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -8.886 -5.504 -19.211 1.00 28.48 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? -11.351 -4.567 -17.189 1.00 33.87 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? -10.584 -4.589 -20.244 1.00 30.47 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? -10.349 -5.335 -21.473 1.00 34.09 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? -8.978 -4.905 -22.012 1.00 34.10 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -8.175 -5.721 -22.432 1.00 39.56 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? -11.429 -4.979 -22.559 1.00 34.24 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? -12.842 -5.495 -22.200 1.00 37.63 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? -10.979 -5.520 -23.894 1.00 37.15 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? -14.008 -4.798 -22.927 1.00 35.43 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? -8.701 -3.608 -21.945 1.00 33.60 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? -7.406 -3.095 -22.390 1.00 33.77 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -6.225 -3.687 -21.596 1.00 38.50 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -5.219 -4.073 -22.191 1.00 37.61 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? -7.376 -1.553 -22.421 1.00 37.93 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? -8.335 -1.133 -23.423 1.00 41.17 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -6.374 -3.776 -20.285 1.00 32.55 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -5.403 -4.389 -19.413 1.00 35.97 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -5.187 -5.845 -19.778 1.00 33.98 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -4.045 -6.286 -19.834 1.00 40.60 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -5.800 -4.299 -17.918 1.00 34.02 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? -5.712 -2.934 -17.475 1.00 35.80 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -4.851 -5.099 -17.048 1.00 40.32 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -6.254 -6.577 -20.054 1.00 37.33 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -6.157 -8.050 -20.223 1.00 33.29 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -5.511 -8.381 -21.557 1.00 36.81 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -4.935 -9.457 -21.745 1.00 36.22 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -7.527 -8.704 -20.046 1.00 30.93 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -7.981 -8.585 -18.559 1.00 30.78 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -9.353 -9.190 -18.473 1.00 31.28 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -7.078 -9.195 -17.489 1.00 32.25 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -5.501 -7.406 -22.455 1.00 37.99 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -4.848 -7.604 -23.743 1.00 38.89 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -3.344 -7.830 -23.645 1.00 41.73 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -2.784 -8.544 -24.465 1.00 48.97 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -5.108 -6.380 -24.647 1.00 41.39 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -6.501 -6.311 -25.289 1.00 42.00 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -6.621 -4.978 -26.010 1.00 47.60 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -6.696 -7.456 -26.254 1.00 42.47 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -2.676 -7.227 -22.679 1.00 45.77 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -1.256 -7.548 -22.502 1.00 54.59 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -0.967 -7.982 -21.070 1.00 47.37 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -1.255 -7.281 -20.127 1.00 44.11 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -0.387 -6.370 -22.927 1.00 61.50 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -0.740 -5.845 -24.284 1.00 69.60 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -1.369 -4.629 -24.474 1.00 72.09 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -0.604 -6.400 -25.514 1.00 69.72 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -1.591 -4.453 -25.766 1.00 74.57 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -1.136 -5.511 -26.418 1.00 71.02 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -0.364 -9.147 -20.950 1.00 46.58 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -0.210 -9.778 -19.666 1.00 38.45 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 0.430 -8.838 -18.648 1.00 35.09 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 1.527 -8.302 -18.853 1.00 33.71 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 0.595 -11.053 -19.796 1.00 37.52 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 0.775 -11.787 -18.484 1.00 33.73 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -0.321 -12.149 -17.699 1.00 35.60 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 2.038 -12.040 -17.995 1.00 34.01 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -0.155 -12.806 -16.485 1.00 35.36 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 2.221 -12.663 -16.776 1.00 36.52 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 1.114 -13.074 -16.042 1.00 35.45 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 1.315 -13.680 -14.845 1.00 38.56 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -0.244 -8.615 -17.554 1.00 34.26 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 0.406 -8.024 -16.394 1.00 36.05 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -0.359 -8.642 -15.175 1.00 36.56 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -1.481 -8.275 -14.960 1.00 32.82 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 0.208 -6.558 -16.511 1.00 39.76 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 0.752 -5.749 -15.314 1.00 46.49 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 0.677 -6.157 -14.119 1.00 41.29 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 1.229 -4.618 -15.614 1.00 55.69 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 0.207 -9.577 -14.402 1.00 34.10 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -0.619 -10.308 -13.447 1.00 34.35 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -1.245 -9.479 -12.332 1.00 39.71 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -2.423 -9.692 -11.991 1.00 36.84 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? 0.070 -11.539 -12.855 1.00 36.59 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 1.087 -11.204 -11.936 1.00 40.29 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -0.510 -8.543 -11.757 1.00 36.75 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -1.121 -7.610 -10.746 1.00 38.18 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -2.231 -6.779 -11.302 1.00 36.10 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -3.288 -6.684 -10.672 1.00 39.17 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? -0.098 -6.701 -10.097 1.00 39.45 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 0.774 -7.542 -9.357 1.00 44.26 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -0.721 -5.693 -9.056 1.00 41.21 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -2.000 -6.133 -12.425 1.00 31.19 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -3.044 -5.342 -13.037 1.00 34.08 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -4.249 -6.195 -13.485 1.00 32.06 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -5.375 -5.763 -13.329 1.00 33.07 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.501 -4.557 -14.213 1.00 34.53 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -4.002 -7.388 -14.034 1.00 31.96 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -5.052 -8.279 -14.449 1.00 33.13 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -5.986 -8.670 -13.292 1.00 34.80 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -7.138 -8.771 -13.505 1.00 32.07 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -4.447 -9.495 -15.069 1.00 34.37 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.469 -8.882 -12.082 1.00 33.97 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -6.307 -9.205 -10.965 1.00 32.07 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -7.386 -8.168 -10.738 1.00 33.36 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -8.570 -8.489 -10.479 1.00 31.82 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.468 -9.431 -9.717 1.00 36.81 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -7.005 -6.900 -10.832 1.00 32.37 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -7.934 -5.814 -10.680 1.00 32.94 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -8.867 -5.787 -11.898 1.00 35.99 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -10.066 -5.632 -11.753 1.00 32.86 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -8.318 -5.973 -13.101 1.00 31.44 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -9.195 -6.010 -14.264 1.00 35.37 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -10.241 -7.140 -14.139 1.00 30.66 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -11.364 -6.967 -14.567 1.00 29.06 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -8.434 -6.156 -15.554 1.00 35.08 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -9.859 -8.275 -13.587 1.00 28.51 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -10.702 -9.413 -13.520 1.00 32.47 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -11.813 -9.162 -12.511 1.00 32.94 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -12.930 -9.527 -12.768 1.00 31.72 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -9.934 -10.720 -13.260 1.00 32.76 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -9.094 -11.154 -14.450 1.00 30.68 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -7.988 -12.113 -14.107 1.00 31.45 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -10.014 -11.701 -15.543 1.00 31.43 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -11.525 -8.448 -11.431 1.00 31.69 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -12.572 -8.060 -10.472 1.00 31.16 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? -13.617 -7.150 -11.094 1.00 29.29 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? -14.815 -7.256 -10.820 1.00 30.64 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -11.945 -7.373 -9.283 1.00 31.04 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -11.188 -8.293 -8.331 1.00 32.16 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -10.394 -7.541 -7.268 1.00 37.99 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -12.157 -9.186 -7.596 1.00 34.28 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? -13.193 -6.277 -11.989 1.00 25.07 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? -14.109 -5.453 -12.710 1.00 27.70 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? -14.884 -6.314 -13.703 1.00 25.73 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? -16.130 -6.186 -13.863 1.00 33.02 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? -13.411 -4.303 -13.498 1.00 29.42 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? -14.368 -3.541 -14.426 1.00 29.03 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? -12.721 -3.326 -12.577 1.00 31.76 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? -14.201 -7.189 -14.385 1.00 26.78 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? -14.876 -7.947 -15.429 1.00 29.51 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? -15.961 -8.834 -14.854 1.00 29.68 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? -17.109 -8.923 -15.350 1.00 27.50 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -13.899 -8.752 -16.177 1.00 28.11 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -14.422 -9.727 -17.220 1.00 32.47 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -15.038 -8.977 -18.386 1.00 37.01 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -13.272 -10.612 -17.681 1.00 42.17 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -15.573 -9.512 -13.813 1.00 26.36 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -16.506 -10.346 -13.097 1.00 29.69 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? -17.772 -9.646 -12.689 1.00 29.14 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? -18.875 -10.174 -12.944 1.00 32.73 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -15.811 -11.042 -11.880 1.00 30.43 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -14.841 -12.079 -12.399 1.00 34.77 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -16.802 -11.707 -10.961 1.00 30.17 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -13.871 -12.522 -11.310 1.00 36.03 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? -17.658 -8.476 -12.088 1.00 27.42 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? -18.728 -7.850 -11.507 1.00 28.34 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? -19.610 -7.181 -12.584 1.00 30.57 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? -20.775 -6.995 -12.353 1.00 34.01 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? -18.273 -6.819 -10.504 1.00 30.33 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? -17.552 -7.429 -9.301 1.00 30.74 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? -17.123 -6.334 -8.404 1.00 33.71 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? -16.014 -5.781 -8.570 1.00 34.92 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? -18.009 -5.896 -7.552 1.00 33.14 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? -19.017 -6.755 -13.682 1.00 28.19 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? -19.765 -6.124 -14.756 1.00 31.49 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? -20.427 -7.107 -15.719 1.00 26.57 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? -21.242 -6.688 -16.581 1.00 34.08 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? -18.892 -5.080 -15.536 1.00 31.35 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? -17.717 -5.683 -16.066 1.00 29.31 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? -18.437 -3.949 -14.675 1.00 32.10 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? -20.036 -8.365 -15.680 1.00 30.55 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? -20.611 -9.334 -16.547 1.00 34.30 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? -21.409 -10.346 -15.698 1.00 33.49 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? -22.646 -10.242 -15.613 1.00 33.66 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? -19.573 -10.010 -17.410 1.00 31.67 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? -18.617 -10.667 -16.569 1.00 34.88 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? -18.887 -8.959 -18.306 1.00 32.16 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? -20.716 -11.276 -15.058 1.00 31.38 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -21.375 -12.350 -14.280 1.00 30.17 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? -22.254 -11.866 -13.203 1.00 29.77 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? -23.404 -12.363 -13.085 1.00 33.45 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -20.339 -13.290 -13.661 1.00 32.00 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? -21.791 -10.929 -12.379 1.00 31.01 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? -22.635 -10.475 -11.248 1.00 29.17 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? -23.880 -9.697 -11.692 1.00 35.27 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? -24.962 -9.799 -11.036 1.00 30.59 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? -21.856 -9.702 -10.178 1.00 31.08 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? -20.644 -10.408 -9.602 1.00 34.71 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? -20.978 -11.551 -8.632 1.00 39.66 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? -22.185 -11.937 -8.548 1.00 41.43 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -20.031 -12.030 -7.913 1.00 41.02 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? -23.739 -8.978 -12.827 1.00 31.01 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? -24.875 -8.262 -13.451 1.00 33.89 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? -25.898 -9.235 -14.007 1.00 28.74 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? -27.095 -8.998 -13.946 1.00 32.29 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? -24.371 -7.292 -14.559 1.00 34.01 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? -25.427 -10.329 -14.593 1.00 29.99 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? -26.325 -11.330 -15.128 1.00 30.89 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? -27.112 -11.942 -13.938 1.00 34.57 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? -28.337 -12.176 -14.005 1.00 31.40 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? -25.528 -12.345 -15.863 1.00 29.83 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? -26.428 -12.148 -12.816 1.00 32.25 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? -27.057 -12.774 -11.671 1.00 33.06 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? -28.069 -11.944 -11.016 1.00 32.65 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? -29.106 -12.502 -10.524 1.00 35.43 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? -26.023 -13.179 -10.616 1.00 35.39 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? -25.170 -14.360 -11.036 1.00 36.62 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -23.963 -14.546 -10.137 1.00 36.07 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -23.071 -15.660 -10.491 1.00 36.49 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -21.773 -15.664 -10.189 1.00 42.60 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -21.267 -14.619 -9.567 1.00 43.28 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -20.988 -16.680 -10.476 1.00 42.99 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? -27.834 -10.644 -10.931 1.00 29.00 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? -28.697 -9.727 -10.173 1.00 29.48 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? -29.053 -8.480 -10.966 1.00 33.42 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? -28.170 -7.729 -11.423 1.00 31.75 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? -27.990 -9.260 -8.917 1.00 30.78 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? -27.736 -10.326 -7.919 1.00 31.45 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? -28.782 -10.775 -7.054 1.00 34.00 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? -26.491 -10.828 -7.750 1.00 35.53 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? -28.494 -11.716 -6.072 1.00 32.77 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? -26.211 -11.789 -6.778 1.00 36.94 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? -27.223 -12.213 -5.947 1.00 35.21 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? -30.355 -8.236 -11.135 1.00 33.47 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? -30.847 -7.019 -11.780 1.00 36.81 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? -30.396 -5.770 -11.063 1.00 36.87 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? -30.106 -4.771 -11.746 1.00 32.55 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? -32.395 -7.081 -11.915 1.00 43.43 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? -33.103 -5.887 -12.577 1.00 55.42 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? -32.567 -5.541 -13.971 1.00 65.55 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? -33.360 -4.411 -14.669 1.00 74.74 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? -32.571 -3.590 -15.666 1.00 76.35 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? -30.276 -5.814 -9.716 1.00 32.16 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? -29.821 -4.653 -8.984 1.00 31.84 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? -28.383 -4.279 -9.415 1.00 30.30 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? -28.090 -3.092 -9.656 1.00 29.49 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? -29.943 -4.800 -7.486 1.00 33.36 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? -29.215 -3.715 -6.691 1.00 36.77 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? -27.855 -3.858 -6.347 1.00 37.02 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? -29.890 -2.599 -6.239 1.00 40.40 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? -27.179 -2.862 -5.636 1.00 37.16 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? -29.227 -1.560 -5.536 1.00 44.41 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? -27.878 -1.692 -5.229 1.00 41.51 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? -27.242 -0.681 -4.520 1.00 42.74 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? -27.533 -5.280 -9.654 1.00 32.40 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? -26.174 -4.999 -10.066 1.00 33.15 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? -26.088 -4.559 -11.554 1.00 32.20 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? -25.412 -3.597 -11.855 1.00 29.56 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? -25.283 -6.180 -9.768 1.00 31.79 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? -25.274 -6.459 -8.255 1.00 33.49 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? -23.885 -5.964 -10.347 1.00 32.45 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? -24.432 -7.607 -7.829 1.00 34.59 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? -26.831 -5.190 -12.456 1.00 31.45 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? -27.044 -4.631 -13.775 1.00 30.88 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? -27.386 -3.136 -13.780 1.00 31.35 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? -26.756 -2.378 -14.534 1.00 32.68 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? -28.084 -5.441 -14.535 1.00 31.67 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? -28.434 -4.823 -15.874 1.00 34.78 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? -29.630 -5.499 -16.553 1.00 41.99 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? -30.361 -6.323 -15.904 1.00 39.13 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? -29.838 -5.175 -17.740 1.00 41.96 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? -28.318 -2.699 -12.907 1.00 31.83 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? -28.704 -1.333 -12.811 1.00 33.25 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? -27.649 -0.457 -12.234 1.00 34.80 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? -27.506 0.674 -12.670 1.00 33.09 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? -29.989 -1.108 -11.994 1.00 41.51 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? -31.203 -1.806 -12.579 1.00 42.55 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? -32.368 -2.067 -11.601 1.00 52.60 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? -33.484 -2.222 -12.057 1.00 63.89 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? -32.126 -2.113 -10.286 1.00 56.69 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? -26.887 -0.976 -11.260 1.00 31.65 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? -25.745 -0.249 -10.751 1.00 32.71 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? -24.749 0.073 -11.875 1.00 29.89 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? -24.200 1.161 -11.930 1.00 34.89 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? -25.044 -1.034 -9.622 1.00 33.20 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? -25.888 -1.099 -8.342 1.00 34.50 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? -25.977 0.228 -7.580 1.00 41.92 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? -24.991 0.701 -7.009 1.00 43.38 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? -27.167 0.850 -7.590 1.00 43.23 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? -24.473 -0.896 -12.719 1.00 29.97 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? -23.562 -0.673 -13.794 1.00 31.32 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? -24.143 0.322 -14.819 1.00 32.43 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? -23.396 1.150 -15.406 1.00 32.68 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? -23.110 -1.967 -14.475 1.00 27.42 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? -22.512 -2.979 -13.460 1.00 31.35 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? -21.995 -1.674 -15.465 1.00 31.66 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? -21.442 -2.429 -12.551 1.00 32.35 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? -25.432 0.215 -15.068 1.00 34.27 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? -26.098 1.210 -15.965 1.00 36.49 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? -25.977 2.634 -15.471 1.00 36.48 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? -25.716 3.579 -16.254 1.00 40.55 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? -27.564 0.865 -16.168 1.00 37.23 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? -27.722 -0.363 -17.041 1.00 38.65 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? -29.138 -0.919 -17.024 1.00 43.58 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? -29.767 -1.115 -15.953 1.00 44.50 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? -29.633 -1.208 -18.203 1.00 41.88 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? -26.059 2.791 -14.167 1.00 37.71 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? -25.787 4.078 -13.539 1.00 39.81 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? -24.334 4.532 -13.743 1.00 36.31 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? -24.068 5.707 -13.636 1.00 37.56 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? -26.029 4.045 -12.028 1.00 44.60 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? -27.460 3.859 -11.573 1.00 56.11 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? -27.548 3.833 -10.049 1.00 70.49 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? -26.520 4.089 -9.348 1.00 71.93 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? -28.655 3.533 -9.546 1.00 83.11 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? -23.416 3.593 -13.966 1.00 30.13 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? -22.042 3.891 -14.154 1.00 30.76 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? -21.609 3.737 -15.609 1.00 31.60 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? -20.469 3.380 -15.900 1.00 33.12 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? -21.221 3.005 -13.238 1.00 30.83 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? -21.506 3.123 -11.752 1.00 34.25 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? -21.099 1.826 -11.027 1.00 36.31 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? -20.931 2.022 -9.575 1.00 35.32 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? -21.926 2.201 -8.733 1.00 38.19 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? -23.158 2.226 -9.176 1.00 37.69 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? -21.694 2.403 -7.442 1.00 35.48 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? -22.503 4.021 -16.537 1.00 31.55 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? -22.204 3.872 -17.959 1.00 32.36 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? -21.120 4.791 -18.467 1.00 31.90 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? -20.464 4.456 -19.412 1.00 35.36 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? -23.457 4.083 -18.772 1.00 34.76 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? -21.005 5.987 -17.881 1.00 32.91 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? -20.127 7.061 -18.330 1.00 35.14 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? -19.295 7.618 -17.170 1.00 36.59 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? -18.521 8.532 -17.371 1.00 37.51 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? -20.983 8.213 -18.879 1.00 33.83 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? -22.027 7.766 -19.866 1.00 34.03 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? -21.655 7.090 -21.010 1.00 37.50 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? -23.400 7.967 -19.637 1.00 42.00 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? -22.615 6.668 -21.940 1.00 41.06 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? -24.358 7.551 -20.566 1.00 44.04 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? -23.948 6.904 -21.723 1.00 40.92 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? -24.842 6.438 -22.675 1.00 50.60 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? -19.400 7.012 -15.995 1.00 32.73 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? -18.609 7.405 -14.832 1.00 36.91 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? -18.512 6.213 -13.887 1.00 36.37 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? -19.563 5.788 -13.334 1.00 36.49 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? -19.271 8.590 -14.095 1.00 36.31 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? -18.557 8.935 -12.782 1.00 41.97 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? -19.131 10.095 -11.980 1.00 46.64 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? -20.537 9.885 -11.620 1.00 51.68 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? -21.307 10.774 -10.988 1.00 58.41 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? -20.829 11.946 -10.590 1.00 57.27 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? -22.576 10.483 -10.748 1.00 64.26 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? -17.290 5.700 -13.676 1.00 32.92 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? -17.051 4.638 -12.702 1.00 34.49 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? -17.328 5.090 -11.298 1.00 38.30 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? -17.173 6.260 -10.999 1.00 38.28 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? -15.632 4.099 -12.746 1.00 32.01 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? -15.235 3.519 -14.125 1.00 36.42 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? -16.133 3.017 -14.887 1.00 36.23 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? -14.010 3.635 -14.446 1.00 36.20 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? -17.716 4.141 -10.441 1.00 37.91 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? -17.865 4.399 -9.014 1.00 36.68 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? -17.757 3.085 -8.276 1.00 36.19 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? -18.129 2.046 -8.819 1.00 30.45 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? -19.210 5.038 -8.716 1.00 40.91 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? -19.335 5.611 -7.300 1.00 45.99 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? -20.741 6.111 -7.011 1.00 51.17 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? -21.195 5.890 -5.870 1.00 53.61 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? -21.400 6.668 -7.929 1.00 52.84 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? -17.208 3.121 -7.059 1.00 32.01 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? -16.971 1.919 -6.305 1.00 34.77 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? -18.343 1.282 -6.100 1.00 32.97 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? -19.354 1.993 -6.147 1.00 37.92 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? -16.286 2.110 -4.927 1.00 38.39 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? -14.801 2.378 -5.070 1.00 41.90 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? -16.990 3.186 -4.085 1.00 39.29 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? -18.402 -0.059 -5.977 1.00 35.81 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? -19.683 -0.734 -5.785 1.00 37.14 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? -20.332 -0.366 -4.447 1.00 42.07 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? -19.645 -0.119 -3.462 1.00 42.27 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? -19.316 -2.232 -5.832 1.00 38.53 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? -17.858 -2.291 -5.613 1.00 40.12 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? -17.326 -1.022 -6.227 1.00 37.11 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? -21.646 -0.302 -4.447 1.00 40.36 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? -22.411 -0.061 -3.231 1.00 40.74 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? -22.240 -1.277 -2.315 1.00 41.28 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? -21.851 -2.352 -2.722 1.00 40.07 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? -23.887 0.118 -3.596 1.00 38.97 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? -24.455 -1.080 -4.112 1.00 37.39 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? -22.484 -1.083 -1.043 1.00 44.11 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? -22.408 -2.191 -0.104 1.00 43.42 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? -23.379 -3.324 -0.469 1.00 34.66 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? -23.133 -4.523 -0.252 1.00 41.78 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? -22.818 -1.667 1.260 1.00 50.32 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? -21.804 -0.845 1.797 1.00 64.58 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? -24.536 -2.914 -0.975 1.00 36.11 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? -25.579 -3.835 -1.304 1.00 34.28 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? -25.039 -4.709 -2.357 1.00 33.63 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? -25.373 -5.824 -2.424 1.00 32.03 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? -26.779 -3.092 -1.844 1.00 34.18 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? -24.295 -4.117 -3.295 1.00 33.61 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? -23.761 -4.891 -4.421 1.00 31.57 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? -22.801 -5.971 -3.921 1.00 30.97 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? -22.778 -7.095 -4.345 1.00 34.17 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? -23.022 -3.932 -5.416 1.00 34.93 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? -23.963 -3.028 -6.028 1.00 37.27 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? -22.349 -4.745 -6.498 1.00 35.69 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? -21.953 -5.595 -2.991 1.00 35.62 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? -20.994 -6.535 -2.451 1.00 36.09 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? -21.691 -7.681 -1.726 1.00 32.60 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? -21.376 -8.854 -1.933 1.00 34.44 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? -20.023 -5.779 -1.517 1.00 39.60 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? -19.206 -4.772 -2.324 1.00 42.76 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? -19.075 -6.747 -0.779 1.00 41.58 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? -18.052 -5.381 -3.025 1.00 46.40 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? -22.681 -7.314 -0.939 1.00 37.53 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? -23.521 -8.242 -0.160 1.00 34.63 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? -24.196 -9.316 -1.037 1.00 34.84 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? -24.156 -10.498 -0.779 1.00 35.38 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? -24.521 -7.349 0.557 1.00 39.12 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? -25.471 -8.030 1.365 1.00 47.20 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? -24.797 -8.883 -2.144 1.00 33.33 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? -25.413 -9.807 -3.070 1.00 31.06 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? -24.448 -10.699 -3.744 1.00 31.16 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? -24.714 -11.905 -3.955 1.00 35.47 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? -26.162 -9.001 -4.143 1.00 31.24 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? -27.328 -8.174 -3.709 1.00 36.67 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? -27.721 -7.214 -4.863 1.00 36.45 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? -28.484 -9.041 -3.336 1.00 36.00 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? -23.330 -10.128 -4.162 1.00 29.33 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? -22.275 -10.956 -4.754 1.00 33.29 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? -21.882 -12.096 -3.771 1.00 34.17 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -21.754 -13.270 -4.145 1.00 33.93 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? -21.017 -10.109 -5.041 1.00 33.93 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? -21.268 -9.004 -6.083 1.00 35.62 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? -20.059 -8.122 -6.311 1.00 35.86 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? -20.091 -7.263 -7.206 1.00 34.10 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? -19.111 -8.248 -5.553 1.00 35.69 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? -21.708 -11.711 -2.512 1.00 36.39 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -21.306 -12.654 -1.479 1.00 42.45 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -22.417 -13.657 -1.150 1.00 42.94 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -22.122 -14.760 -0.746 1.00 42.77 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? -20.860 -11.885 -0.218 1.00 41.24 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -19.536 -11.172 -0.415 1.00 40.37 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -18.769 -11.481 -1.316 1.00 39.18 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? -19.286 -10.212 0.405 1.00 36.53 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? -23.674 -13.337 -1.437 1.00 41.65 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? -24.811 -14.160 -0.971 1.00 42.59 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -25.423 -15.003 -2.041 1.00 42.25 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -26.318 -15.807 -1.797 1.00 41.75 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? -25.867 -13.266 -0.422 1.00 40.27 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? -25.334 -12.565 0.657 1.00 47.04 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -24.910 -14.859 -3.245 1.00 40.26 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -25.504 -15.550 -4.351 1.00 38.12 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -25.681 -17.016 -4.074 1.00 36.91 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -26.720 -17.584 -4.333 1.00 33.91 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -24.682 -15.371 -5.606 1.00 36.36 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -25.368 -15.921 -6.784 1.00 32.27 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -26.625 -15.569 -7.249 1.00 34.05 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -24.867 -16.884 -7.689 1.00 35.01 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -26.903 -16.279 -8.409 1.00 36.22 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -25.855 -17.098 -8.683 1.00 34.54 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -23.699 -17.633 -7.744 1.00 34.41 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -25.687 -17.983 -9.694 1.00 33.00 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -23.536 -18.495 -8.764 1.00 33.66 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -24.516 -18.670 -9.733 1.00 35.86 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -24.636 -17.668 -3.632 1.00 35.83 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -24.700 -19.100 -3.464 1.00 41.50 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -25.767 -19.430 -2.400 1.00 38.45 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -26.602 -20.340 -2.575 1.00 38.40 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -23.321 -19.609 -3.015 1.00 46.01 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -23.195 -21.008 -3.124 1.00 56.29 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -25.717 -18.684 -1.315 1.00 37.91 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -26.637 -18.894 -0.186 1.00 44.85 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -28.082 -18.604 -0.570 1.00 48.69 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -29.010 -19.366 -0.247 1.00 39.90 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -28.289 -17.493 -1.256 1.00 40.55 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -29.613 -17.205 -1.793 1.00 38.10 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -30.107 -18.264 -2.679 1.00 36.98 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -31.253 -18.632 -2.576 1.00 45.10 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? -29.687 -15.889 -2.596 1.00 39.36 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? -29.695 -14.631 -1.764 1.00 48.05 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? -29.336 -13.403 -2.618 1.00 54.61 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? -31.058 -14.461 -1.092 1.00 46.38 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -29.302 -18.696 -3.636 1.00 35.97 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -29.690 -19.751 -4.521 1.00 34.31 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -30.148 -21.012 -3.756 1.00 40.11 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -31.137 -21.677 -4.115 1.00 38.48 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -28.509 -20.105 -5.422 1.00 39.66 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -28.191 -19.077 -6.383 1.00 36.86 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -29.414 -21.349 -2.715 1.00 42.13 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -29.661 -22.603 -2.010 1.00 43.55 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -30.993 -22.462 -1.307 1.00 37.82 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -31.862 -23.264 -1.498 1.00 42.94 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -28.562 -22.871 -0.977 1.00 44.27 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -28.741 -24.171 -0.194 1.00 51.36 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -27.700 -24.285 0.911 1.00 51.56 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -27.802 -25.649 1.608 1.00 64.93 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -26.525 -26.103 2.260 1.00 63.90 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -31.155 -21.410 -0.539 1.00 39.42 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -32.412 -21.173 0.189 1.00 43.65 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -33.684 -21.030 -0.678 1.00 46.02 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -34.774 -21.466 -0.298 1.00 44.03 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -32.277 -19.962 1.057 1.00 43.70 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -31.153 -20.034 2.044 1.00 45.15 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -31.370 -21.123 3.058 1.00 57.72 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -32.496 -21.344 3.511 1.00 55.57 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -30.294 -21.830 3.407 1.00 54.20 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -33.568 -20.428 -1.848 1.00 40.34 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -34.686 -20.353 -2.774 1.00 37.05 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -35.085 -21.756 -3.234 1.00 43.57 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -36.288 -22.093 -3.272 1.00 44.34 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? -34.364 -19.385 -3.940 1.00 34.15 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? -34.191 -17.984 -3.392 1.00 34.61 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? -35.450 -19.410 -4.974 1.00 36.90 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? -33.531 -17.011 -4.384 1.00 37.39 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -34.093 -22.588 -3.539 1.00 39.18 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -34.360 -23.958 -3.873 1.00 46.04 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -34.996 -24.779 -2.730 1.00 45.88 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -35.889 -25.552 -2.980 1.00 43.88 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -33.116 -24.632 -4.391 1.00 46.26 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -32.904 -24.349 -5.873 1.00 45.84 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -31.485 -24.614 -6.283 1.00 42.37 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -31.172 -25.695 -6.788 1.00 43.98 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -30.603 -23.621 -6.061 1.00 42.91 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -34.556 -24.553 -1.510 1.00 42.62 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -35.052 -25.250 -0.340 1.00 45.76 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -36.463 -24.774 0.030 1.00 50.83 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -37.292 -25.532 0.538 1.00 51.04 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -34.132 -24.944 0.859 1.00 49.08 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -32.781 -25.679 0.893 1.00 53.70 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -32.015 -25.396 2.190 1.00 52.62 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -32.956 -27.167 0.696 1.00 54.29 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -36.725 -23.493 -0.171 1.00 45.87 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -38.069 -22.954 0.021 1.00 44.96 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -39.181 -23.649 -0.793 1.00 45.78 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -40.355 -23.603 -0.385 1.00 44.12 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? -38.053 -21.472 -0.225 1.00 42.80 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -38.810 -24.312 -1.896 1.00 41.95 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -39.720 -25.078 -2.754 1.00 53.96 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -39.884 -26.468 -2.115 1.00 66.51 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -39.130 -27.397 -2.398 1.00 76.45 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -39.123 -25.147 -4.159 1.00 57.35 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -39.855 -25.919 -5.239 1.00 69.12 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -39.092 -25.871 -6.596 1.00 77.27 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -38.005 -26.470 -6.766 1.00 75.04 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -39.657 -25.134 -7.561 1.00 75.20 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -40.882 -26.583 -1.246 1.00 70.02 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -40.984 -27.672 -0.265 1.00 63.20 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -41.018 -27.155 1.174 1.00 60.06 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -41.056 -27.928 2.135 1.00 61.43 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -40.960 -25.840 1.330 1.00 48.13 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -41.120 -25.218 2.620 1.00 42.68 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -41.999 -23.994 2.521 1.00 36.95 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? -41.828 -23.044 3.310 1.00 41.62 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -39.781 -24.873 3.243 1.00 47.80 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -39.873 -24.686 4.746 1.00 53.54 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -40.698 -25.323 5.411 1.00 66.87 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -39.030 -23.838 5.296 1.00 55.84 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? -42.958 -24.052 1.594 1.00 35.72 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? -43.994 -23.025 1.366 1.00 40.79 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? -43.378 -21.633 1.086 1.00 41.47 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? -43.868 -20.639 1.604 1.00 40.29 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? -44.927 -22.908 2.581 1.00 40.53 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? -45.610 -24.191 2.892 1.00 36.57 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? -46.364 -24.695 2.078 1.00 40.00 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? -45.321 -24.748 4.042 1.00 39.16 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? -42.255 -21.588 0.367 1.00 42.21 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? -41.583 -20.316 0.075 1.00 39.38 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? -40.777 -19.708 1.215 1.00 47.32 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? -40.305 -18.570 1.114 1.00 43.52 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? -40.608 -20.447 2.306 1.00 43.47 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? -39.936 -19.940 3.484 1.00 40.93 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? -38.511 -20.472 3.419 1.00 45.38 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? -38.309 -21.635 3.077 1.00 46.85 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? -40.582 -20.500 4.772 1.00 44.23 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? -39.655 -20.305 5.959 1.00 42.92 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? -41.963 -19.894 4.994 1.00 49.35 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? -37.525 -19.629 3.737 1.00 44.34 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? -36.135 -20.060 3.746 1.00 45.85 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -35.891 -20.928 4.994 1.00 50.71 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? -36.324 -20.587 6.094 1.00 49.92 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? -35.175 -18.850 3.819 1.00 43.92 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? -35.052 -18.028 2.530 1.00 42.09 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? -35.849 -18.265 1.399 1.00 44.49 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? -34.138 -17.003 2.470 1.00 43.78 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? -35.700 -17.499 0.254 1.00 44.03 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? -34.008 -16.240 1.340 1.00 41.49 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? -34.782 -16.488 0.231 1.00 41.04 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -35.142 -22.003 4.822 1.00 49.38 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -34.724 -22.828 5.966 1.00 55.05 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -33.892 -21.978 6.922 1.00 55.38 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -34.132 -21.965 8.126 1.00 52.06 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -33.916 -24.017 5.486 1.00 57.11 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -34.671 -24.961 4.577 1.00 66.54 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -35.739 -25.685 5.374 1.00 68.65 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -36.480 -26.684 4.609 1.00 59.89 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -37.384 -27.497 5.162 1.00 61.78 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -37.656 -27.412 6.493 1.00 56.40 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -38.034 -28.375 4.390 1.00 53.66 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -32.914 -21.261 6.370 1.00 49.61 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -32.123 -20.319 7.155 1.00 51.00 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -32.137 -18.967 6.457 1.00 46.01 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -31.878 -18.902 5.271 1.00 49.87 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -30.635 -20.713 7.252 1.00 53.27 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -30.482 -22.141 7.376 1.00 55.80 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -29.982 -19.966 8.420 1.00 56.09 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? -32.386 -17.902 7.198 1.00 51.37 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? -32.474 -16.595 6.571 1.00 56.17 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? -31.120 -16.129 6.055 1.00 52.79 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? -30.097 -16.499 6.599 1.00 53.25 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? -32.979 -15.693 7.701 1.00 57.42 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? -33.521 -16.629 8.723 1.00 59.62 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? -32.657 -17.829 8.638 1.00 57.97 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? -31.148 -15.354 4.980 1.00 50.36 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? -29.960 -14.768 4.386 1.00 45.89 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? -29.918 -13.317 4.820 1.00 44.56 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? -30.833 -12.556 4.561 1.00 43.93 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? -30.047 -14.904 2.868 1.00 48.84 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? -29.786 -16.282 2.502 1.00 54.60 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? -29.054 -13.966 2.156 1.00 50.16 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? -28.856 -12.902 5.496 1.00 44.25 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? -28.672 -11.498 5.850 1.00 43.89 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? -27.989 -10.733 4.688 1.00 45.90 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? -27.002 -11.209 4.135 1.00 46.51 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? -27.798 -11.332 7.118 1.00 50.64 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? -27.577 -9.858 7.406 1.00 53.31 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? -28.451 -11.990 8.334 1.00 51.39 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? -28.557 -9.577 4.307 1.00 44.65 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? -28.012 -8.715 3.249 1.00 46.62 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? -27.909 -7.286 3.686 1.00 46.29 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? -28.445 -6.880 4.721 1.00 55.94 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? -28.954 -8.705 2.025 1.00 45.83 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? -29.121 -9.990 1.244 1.00 44.97 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? -30.063 -9.755 0.047 1.00 44.21 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? -27.771 -10.498 0.787 1.00 46.25 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? -27.273 -6.489 2.834 1.00 41.58 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? -27.264 -5.039 2.976 1.00 42.07 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? -28.166 -4.471 1.874 1.00 41.56 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? -28.090 -4.913 0.705 1.00 42.05 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? -25.838 -4.472 2.839 1.00 43.67 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? -25.830 -2.975 3.041 1.00 47.87 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? -24.881 -5.179 3.809 1.00 44.84 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? -29.060 -3.564 2.243 1.00 40.34 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? -30.022 -3.029 1.279 1.00 44.67 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? -29.522 -1.764 0.547 1.00 43.05 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? -28.431 -1.240 0.843 1.00 45.34 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? -31.424 -2.852 1.876 1.00 44.77 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? -31.508 -1.699 2.883 1.00 53.38 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? -30.496 -0.985 3.096 1.00 53.29 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? -32.602 -1.558 3.488 1.00 56.03 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? -30.341 -1.317 -0.423 1.00 50.01 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? -30.080 -0.147 -1.269 1.00 59.00 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? -29.687 1.022 -0.398 1.00 62.97 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? -28.811 1.786 -0.753 1.00 58.02 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? -31.307 0.220 -2.143 1.00 62.69 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? -32.473 0.515 -1.349 1.00 67.39 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? -30.317 1.119 0.771 1.00 68.52 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? -30.034 2.209 1.736 1.00 73.55 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? -28.772 2.070 2.604 1.00 64.47 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? -28.427 3.013 3.303 1.00 62.33 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? -31.233 2.417 2.676 1.00 78.41 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? -32.244 3.439 2.203 1.00 84.82 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? -33.081 2.917 1.052 1.00 90.47 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? -34.276 3.833 0.820 1.00 93.22 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? -34.193 4.509 -0.503 1.00 92.29 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? -28.110 0.914 2.588 1.00 58.27 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? -26.925 0.694 3.432 1.00 51.98 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? -27.245 -0.038 4.738 1.00 57.86 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? -26.354 -0.273 5.561 1.00 53.74 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? -28.507 -0.454 4.893 1.00 60.41 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? -28.997 -1.179 6.092 1.00 61.63 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? -29.007 -2.725 6.024 1.00 57.49 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? -29.350 -3.337 5.017 1.00 54.64 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? -30.405 -0.681 6.426 1.00 60.40 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? -30.470 0.839 6.610 1.00 64.03 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? -29.646 1.439 7.291 1.00 58.52 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? -31.473 1.459 6.019 1.00 68.09 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? -28.647 -3.353 7.131 1.00 55.13 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? -28.739 -4.784 7.273 1.00 59.08 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? -30.231 -5.169 7.231 1.00 52.41 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? -31.102 -4.533 7.853 1.00 51.91 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? -28.087 -5.216 8.596 1.00 68.87 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? -27.864 -6.717 8.790 1.00 77.80 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? -29.104 -7.584 9.076 1.00 81.91 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? -30.103 -6.961 9.947 1.00 86.03 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? -30.901 -7.603 10.793 1.00 78.05 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? -30.835 -8.919 10.945 1.00 86.65 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? -31.752 -6.905 11.522 1.00 67.62 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? -30.513 -6.195 6.449 1.00 51.65 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? -31.851 -6.712 6.290 1.00 51.93 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? -31.765 -8.186 6.239 1.00 50.12 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? -30.815 -8.768 5.732 1.00 57.00 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? -32.545 -6.246 4.980 1.00 47.18 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? -32.663 -4.748 4.948 1.00 51.20 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? -31.833 -6.760 3.742 1.00 51.40 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? -32.829 -8.798 6.690 1.00 51.28 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? -32.853 -10.188 6.831 1.00 52.24 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? -33.901 -10.726 5.828 1.00 45.01 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? -35.017 -10.269 5.796 1.00 47.69 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? -33.204 -10.404 8.289 1.00 58.56 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? -33.258 -11.823 8.718 1.00 67.65 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? -34.507 -12.114 9.531 1.00 80.90 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? -35.519 -11.394 9.466 1.00 92.50 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? -34.452 -13.188 10.287 1.00 79.11 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? -33.504 -11.656 4.983 1.00 41.34 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? -34.371 -12.243 3.940 1.00 43.31 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? -34.881 -13.639 4.339 1.00 40.24 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? -34.097 -14.577 4.512 1.00 44.53 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? -33.606 -12.386 2.617 1.00 40.78 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? -32.930 -11.067 2.256 1.00 40.01 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? -34.517 -12.886 1.473 1.00 40.56 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? -33.790 -9.818 2.279 1.00 42.44 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? -36.192 -13.788 4.430 1.00 41.35 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? -36.754 -14.990 5.074 1.00 45.19 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? -37.633 -15.818 4.185 1.00 44.80 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? -37.875 -16.959 4.489 1.00 45.25 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? -37.544 -14.606 6.350 1.00 45.96 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? -38.709 -13.864 5.993 1.00 47.32 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? -36.700 -13.700 7.224 1.00 51.44 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? -38.109 -15.257 3.087 1.00 40.51 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? -38.981 -15.999 2.186 1.00 40.64 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? -39.016 -15.378 0.812 1.00 38.14 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? -38.548 -14.261 0.641 1.00 40.65 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? -40.432 -16.067 2.754 1.00 41.27 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? -41.027 -14.709 3.006 1.00 42.21 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? -41.683 -14.084 2.132 1.00 48.79 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? -40.815 -14.238 4.231 1.00 44.32 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? -39.629 -16.096 -0.117 1.00 37.54 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? -39.635 -15.768 -1.530 1.00 39.75 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? -40.499 -14.597 -1.935 1.00 37.96 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? -40.393 -14.148 -3.083 1.00 41.49 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? -40.028 -16.976 -2.431 1.00 42.82 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? -39.149 -18.167 -2.114 1.00 42.41 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? -41.535 -17.312 -2.313 1.00 45.03 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? -41.233 -14.024 -0.989 1.00 39.62 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? -41.951 -12.763 -1.209 1.00 42.02 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? -41.023 -11.587 -1.175 1.00 43.21 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? -41.417 -10.530 -1.588 1.00 41.33 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? -43.120 -12.463 -0.203 1.00 39.23 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? -42.630 -11.998 1.072 1.00 46.50 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? -44.027 -13.706 -0.040 1.00 47.67 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? -39.798 -11.735 -0.668 1.00 40.02 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? -38.884 -10.607 -0.658 1.00 42.73 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? -38.558 -10.145 -2.115 1.00 37.98 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? -38.557 -10.954 -3.060 1.00 41.91 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? -37.600 -10.960 0.131 1.00 43.40 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? -36.533 -10.138 -0.288 1.00 53.89 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? -38.350 -8.839 -2.250 1.00 40.61 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? -37.961 -8.209 -3.516 1.00 44.50 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? -36.689 -8.788 -4.128 1.00 37.31 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? -36.542 -8.868 -5.344 1.00 33.61 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? -37.807 -6.693 -3.330 1.00 51.72 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? -39.137 -5.937 -3.503 1.00 72.88 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? -39.589 -5.216 -2.598 1.00 85.99 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? -39.769 -6.094 -4.675 1.00 86.32 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? -35.762 -9.201 -3.273 1.00 37.83 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? -34.563 -9.866 -3.739 1.00 34.86 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? -34.893 -11.074 -4.583 1.00 34.96 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? -34.231 -11.335 -5.602 1.00 34.29 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? -33.658 -10.302 -2.563 1.00 39.60 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? -32.327 -10.744 -3.099 1.00 41.68 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? -33.464 -9.145 -1.597 1.00 47.31 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? -35.936 -11.831 -4.192 1.00 33.33 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? -36.368 -13.015 -4.943 1.00 35.81 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? -37.318 -12.691 -6.095 1.00 35.09 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? -37.218 -13.272 -7.144 1.00 34.43 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? -37.070 -14.043 -4.024 1.00 35.97 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? -37.363 -15.309 -4.769 1.00 38.02 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? -36.175 -14.384 -2.842 1.00 39.68 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? -38.254 -11.786 -5.857 1.00 39.31 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? -39.286 -11.490 -6.884 1.00 39.56 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? -38.752 -10.634 -8.020 1.00 39.06 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? -39.231 -10.765 -9.142 1.00 36.67 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? -40.509 -10.781 -6.266 1.00 37.56 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? -40.096 -9.596 -5.570 1.00 38.25 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? -41.169 -11.734 -5.260 1.00 40.10 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? -37.770 -9.776 -7.713 1.00 36.27 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? -37.361 -8.708 -8.637 1.00 40.65 ? 235 SER A CA 1 ATOM 1818 C C . SER A 1 235 ? -35.880 -8.831 -9.023 1.00 42.18 ? 235 SER A C 1 ATOM 1819 O O . SER A 1 235 ? -35.521 -8.810 -10.207 1.00 55.39 ? 235 SER A O 1 ATOM 1820 C CB . SER A 1 235 ? -37.680 -7.344 -8.006 1.00 43.77 ? 235 SER A CB 1 ATOM 1821 O OG . SER A 1 235 ? -39.040 -7.322 -7.591 1.00 51.85 ? 235 SER A OG 1 ATOM 1822 N N . ASN A 1 236 ? -35.042 -9.103 -8.050 1.00 37.91 ? 236 ASN A N 1 ATOM 1823 C CA . ASN A 1 236 ? -33.611 -8.971 -8.221 1.00 36.82 ? 236 ASN A CA 1 ATOM 1824 C C . ASN A 1 236 ? -32.882 -10.176 -8.824 1.00 37.54 ? 236 ASN A C 1 ATOM 1825 O O . ASN A 1 236 ? -32.389 -10.132 -9.997 1.00 32.84 ? 236 ASN A O 1 ATOM 1826 C CB . ASN A 1 236 ? -33.078 -8.562 -6.859 1.00 39.95 ? 236 ASN A CB 1 ATOM 1827 C CG . ASN A 1 236 ? -31.700 -7.982 -6.931 1.00 37.34 ? 236 ASN A CG 1 ATOM 1828 O OD1 . ASN A 1 236 ? -31.037 -8.084 -7.936 1.00 35.94 ? 236 ASN A OD1 1 ATOM 1829 N ND2 . ASN A 1 236 ? -31.289 -7.346 -5.866 1.00 40.56 ? 236 ASN A ND2 1 ATOM 1830 N N . ILE A 1 237 ? -32.770 -11.265 -8.072 1.00 29.97 ? 237 ILE A N 1 ATOM 1831 C CA . ILE A 1 237 ? -31.992 -12.385 -8.528 1.00 30.74 ? 237 ILE A CA 1 ATOM 1832 C C . ILE A 1 237 ? -32.526 -12.969 -9.840 1.00 34.11 ? 237 ILE A C 1 ATOM 1833 O O . ILE A 1 237 ? -33.703 -13.078 -10.019 1.00 34.91 ? 237 ILE A O 1 ATOM 1834 C CB . ILE A 1 237 ? -31.875 -13.479 -7.448 1.00 31.93 ? 237 ILE A CB 1 ATOM 1835 C CG1 . ILE A 1 237 ? -30.793 -14.462 -7.835 1.00 31.79 ? 237 ILE A CG1 1 ATOM 1836 C CG2 . ILE A 1 237 ? -33.212 -14.175 -7.177 1.00 34.95 ? 237 ILE A CG2 1 ATOM 1837 C CD1 . ILE A 1 237 ? -30.271 -15.320 -6.648 1.00 34.83 ? 237 ILE A CD1 1 ATOM 1838 N N . GLN A 1 238 ? -31.654 -13.326 -10.766 1.00 34.27 ? 238 GLN A N 1 ATOM 1839 C CA . GLN A 1 238 ? -32.066 -13.752 -12.123 1.00 36.39 ? 238 GLN A CA 1 ATOM 1840 C C . GLN A 1 238 ? -31.648 -15.144 -12.518 1.00 34.59 ? 238 GLN A C 1 ATOM 1841 O O . GLN A 1 238 ? -32.136 -15.666 -13.564 1.00 34.98 ? 238 GLN A O 1 ATOM 1842 C CB . GLN A 1 238 ? -31.491 -12.768 -13.164 1.00 39.04 ? 238 GLN A CB 1 ATOM 1843 C CG . GLN A 1 238 ? -32.006 -11.358 -13.012 1.00 42.03 ? 238 GLN A CG 1 ATOM 1844 C CD . GLN A 1 238 ? -33.518 -11.263 -13.264 1.00 45.78 ? 238 GLN A CD 1 ATOM 1845 O OE1 . GLN A 1 238 ? -34.031 -11.787 -14.253 1.00 47.00 ? 238 GLN A OE1 1 ATOM 1846 N NE2 . GLN A 1 238 ? -34.229 -10.659 -12.332 1.00 43.38 ? 238 GLN A NE2 1 ATOM 1847 N N . LEU A 1 239 ? -30.732 -15.765 -11.736 1.00 32.18 ? 239 LEU A N 1 ATOM 1848 C CA . LEU A 1 239 ? -30.198 -17.061 -12.013 1.00 29.65 ? 239 LEU A CA 1 ATOM 1849 C C . LEU A 1 239 ? -29.889 -17.706 -10.683 1.00 32.50 ? 239 LEU A C 1 ATOM 1850 O O . LEU A 1 239 ? -29.410 -17.043 -9.747 1.00 32.94 ? 239 LEU A O 1 ATOM 1851 C CB . LEU A 1 239 ? -28.855 -16.979 -12.774 1.00 32.58 ? 239 LEU A CB 1 ATOM 1852 C CG . LEU A 1 239 ? -28.852 -16.188 -14.096 1.00 35.28 ? 239 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 239 ? -27.439 -15.854 -14.539 1.00 35.98 ? 239 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 239 ? -29.494 -17.044 -15.203 1.00 34.89 ? 239 LEU A CD2 1 ATOM 1855 N N . LEU A 1 240 ? -30.136 -19.005 -10.609 1.00 35.18 ? 240 LEU A N 1 ATOM 1856 C CA . LEU A 1 240 ? -29.865 -19.767 -9.407 1.00 38.65 ? 240 LEU A CA 1 ATOM 1857 C C . LEU A 1 240 ? -28.801 -20.824 -9.603 1.00 37.95 ? 240 LEU A C 1 ATOM 1858 O O . LEU A 1 240 ? -28.818 -21.624 -10.558 1.00 37.92 ? 240 LEU A O 1 ATOM 1859 C CB . LEU A 1 240 ? -31.123 -20.464 -8.910 1.00 36.06 ? 240 LEU A CB 1 ATOM 1860 C CG . LEU A 1 240 ? -32.324 -19.580 -8.681 1.00 34.49 ? 240 LEU A CG 1 ATOM 1861 C CD1 . LEU A 1 240 ? -33.540 -20.472 -8.356 1.00 42.51 ? 240 LEU A CD1 1 ATOM 1862 C CD2 . LEU A 1 240 ? -32.053 -18.667 -7.491 1.00 39.71 ? 240 LEU A CD2 1 ATOM 1863 N N . LEU A 1 241 ? -27.840 -20.779 -8.683 1.00 39.89 ? 241 LEU A N 1 ATOM 1864 C CA . LEU A 1 241 ? -26.836 -21.836 -8.555 1.00 39.50 ? 241 LEU A CA 1 ATOM 1865 C C . LEU A 1 241 ? -27.527 -23.073 -8.016 1.00 39.26 ? 241 LEU A C 1 ATOM 1866 O O . LEU A 1 241 ? -28.080 -23.016 -6.895 1.00 39.66 ? 241 LEU A O 1 ATOM 1867 C CB . LEU A 1 241 ? -25.745 -21.446 -7.558 1.00 41.06 ? 241 LEU A CB 1 ATOM 1868 C CG . LEU A 1 241 ? -24.498 -22.337 -7.422 1.00 43.47 ? 241 LEU A CG 1 ATOM 1869 C CD1 . LEU A 1 241 ? -23.872 -22.445 -8.811 1.00 42.28 ? 241 LEU A CD1 1 ATOM 1870 C CD2 . LEU A 1 241 ? -23.561 -21.735 -6.330 1.00 42.15 ? 241 LEU A CD2 1 ATOM 1871 N N . ASN A 1 242 ? -27.434 -24.146 -8.789 1.00 37.02 ? 242 ASN A N 1 ATOM 1872 C CA . ASN A 1 242 ? -28.014 -25.455 -8.452 1.00 40.22 ? 242 ASN A CA 1 ATOM 1873 C C . ASN A 1 242 ? -27.435 -25.966 -7.144 1.00 42.63 ? 242 ASN A C 1 ATOM 1874 O O . ASN A 1 242 ? -26.233 -25.909 -6.947 1.00 40.56 ? 242 ASN A O 1 ATOM 1875 C CB . ASN A 1 242 ? -27.753 -26.432 -9.604 1.00 41.92 ? 242 ASN A CB 1 ATOM 1876 C CG . ASN A 1 242 ? -28.712 -27.615 -9.611 1.00 43.37 ? 242 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 242 ? -28.663 -28.467 -8.727 1.00 41.42 ? 242 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 242 ? -29.577 -27.668 -10.614 1.00 44.74 ? 242 ASN A ND2 1 ATOM 1879 N N . THR A 1 243 ? -28.281 -26.423 -6.219 1.00 41.80 ? 243 THR A N 1 ATOM 1880 C CA . THR A 1 243 ? -27.769 -26.846 -4.920 1.00 46.42 ? 243 THR A CA 1 ATOM 1881 C C . THR A 1 243 ? -26.858 -28.035 -5.148 1.00 48.85 ? 243 THR A C 1 ATOM 1882 O O . THR A 1 243 ? -26.015 -28.331 -4.300 1.00 49.18 ? 243 THR A O 1 ATOM 1883 C CB . THR A 1 243 ? -28.833 -27.389 -4.001 1.00 47.37 ? 243 THR A CB 1 ATOM 1884 O OG1 . THR A 1 243 ? -29.605 -28.292 -4.772 1.00 48.69 ? 243 THR A OG1 1 ATOM 1885 C CG2 . THR A 1 243 ? -29.678 -26.303 -3.481 1.00 56.02 ? 243 THR A CG2 1 ATOM 1886 N N . LYS A 1 244 ? -26.998 -28.702 -6.294 1.00 51.39 ? 244 LYS A N 1 ATOM 1887 C CA . LYS A 1 244 ? -26.060 -29.806 -6.605 1.00 59.93 ? 244 LYS A CA 1 ATOM 1888 C C . LYS A 1 244 ? -24.582 -29.352 -6.670 1.00 66.82 ? 244 LYS A C 1 ATOM 1889 O O . LYS A 1 244 ? -23.683 -30.180 -6.636 1.00 60.28 ? 244 LYS A O 1 ATOM 1890 C CB . LYS A 1 244 ? -26.526 -30.582 -7.852 1.00 65.91 ? 244 LYS A CB 1 ATOM 1891 C CG . LYS A 1 244 ? -27.801 -31.372 -7.520 1.00 74.11 ? 244 LYS A CG 1 ATOM 1892 C CD . LYS A 1 244 ? -28.357 -32.242 -8.637 1.00 81.25 ? 244 LYS A CD 1 ATOM 1893 C CE . LYS A 1 244 ? -29.843 -32.518 -8.425 1.00 81.30 ? 244 LYS A CE 1 ATOM 1894 N NZ . LYS A 1 244 ? -30.450 -33.110 -9.651 1.00 86.11 ? 244 LYS A NZ 1 ATOM 1895 N N . ASN A 1 245 ? -24.340 -28.039 -6.710 1.00 63.13 ? 245 ASN A N 1 ATOM 1896 C CA . ASN A 1 245 ? -22.983 -27.471 -6.596 1.00 63.84 ? 245 ASN A CA 1 ATOM 1897 C C . ASN A 1 245 ? -22.763 -26.600 -5.359 1.00 62.65 ? 245 ASN A C 1 ATOM 1898 O O . ASN A 1 245 ? -21.784 -25.873 -5.289 1.00 72.55 ? 245 ASN A O 1 ATOM 1899 C CB . ASN A 1 245 ? -22.678 -26.683 -7.853 1.00 58.65 ? 245 ASN A CB 1 ATOM 1900 C CG . ASN A 1 245 ? -22.844 -27.524 -9.094 1.00 60.76 ? 245 ASN A CG 1 ATOM 1901 O OD1 . ASN A 1 245 ? -22.260 -28.604 -9.201 1.00 57.41 ? 245 ASN A OD1 1 ATOM 1902 N ND2 . ASN A 1 245 ? -23.639 -27.049 -10.034 1.00 55.15 ? 245 ASN A ND2 1 ATOM 1903 N N . ILE A 1 246 ? -23.673 -26.663 -4.395 1.00 59.21 ? 246 ILE A N 1 ATOM 1904 C CA . ILE A 1 246 ? -23.495 -25.994 -3.115 1.00 66.25 ? 246 ILE A CA 1 ATOM 1905 C C . ILE A 1 246 ? -23.234 -27.047 -1.996 1.00 66.77 ? 246 ILE A C 1 ATOM 1906 O O . ILE A 1 246 ? -22.130 -27.108 -1.414 1.00 66.66 ? 246 ILE A O 1 ATOM 1907 C CB . ILE A 1 246 ? -24.704 -25.071 -2.769 1.00 65.16 ? 246 ILE A CB 1 ATOM 1908 C CG1 . ILE A 1 246 ? -25.167 -24.272 -4.008 1.00 68.05 ? 246 ILE A CG1 1 ATOM 1909 C CG2 . ILE A 1 246 ? -24.343 -24.121 -1.613 1.00 64.76 ? 246 ILE A CG2 1 ATOM 1910 C CD1 . ILE A 1 246 ? -26.477 -23.489 -3.863 1.00 62.87 ? 246 ILE A CD1 1 HETATM 1911 C C1 . NAG B 2 . ? -41.744 -12.963 4.199 1.00 51.64 ? 801 NAG A C1 1 HETATM 1912 C C2 . NAG B 2 . ? -42.142 -12.788 5.657 1.00 57.78 ? 801 NAG A C2 1 HETATM 1913 C C3 . NAG B 2 . ? -42.712 -11.401 5.911 1.00 61.02 ? 801 NAG A C3 1 HETATM 1914 C C4 . NAG B 2 . ? -41.867 -10.324 5.245 1.00 60.99 ? 801 NAG A C4 1 HETATM 1915 C C5 . NAG B 2 . ? -41.529 -10.688 3.800 1.00 52.10 ? 801 NAG A C5 1 HETATM 1916 C C6 . NAG B 2 . ? -40.579 -9.662 3.177 1.00 55.99 ? 801 NAG A C6 1 HETATM 1917 C C7 . NAG B 2 . ? -42.944 -14.856 6.739 1.00 63.14 ? 801 NAG A C7 1 HETATM 1918 C C8 . NAG B 2 . ? -44.109 -15.795 6.915 1.00 68.79 ? 801 NAG A C8 1 HETATM 1919 N N2 . NAG B 2 . ? -43.163 -13.815 5.930 1.00 59.50 ? 801 NAG A N2 1 HETATM 1920 O O3 . NAG B 2 . ? -42.787 -11.121 7.310 1.00 63.29 ? 801 NAG A O3 1 HETATM 1921 O O4 . NAG B 2 . ? -42.634 -9.126 5.367 1.00 62.29 ? 801 NAG A O4 1 HETATM 1922 O O5 . NAG B 2 . ? -40.878 -11.938 3.831 1.00 54.45 ? 801 NAG A O5 1 HETATM 1923 O O6 . NAG B 2 . ? -39.271 -9.787 3.770 1.00 64.90 ? 801 NAG A O6 1 HETATM 1924 O O7 . NAG B 2 . ? -41.856 -15.042 7.325 1.00 67.08 ? 801 NAG A O7 1 HETATM 1925 O O1 . 211 C 3 . ? -12.860 -19.246 -11.153 1.00 53.71 ? 802 211 A O1 1 HETATM 1926 O O2 . 211 C 3 . ? -15.889 -15.054 -7.383 1.00 64.71 ? 802 211 A O2 1 HETATM 1927 C C1 . 211 C 3 . ? -14.121 -17.366 -11.173 1.00 57.90 ? 802 211 A C1 1 HETATM 1928 C C2 . 211 C 3 . ? -13.741 -18.542 -10.312 1.00 52.58 ? 802 211 A C2 1 HETATM 1929 O O3 . 211 C 3 . ? -18.196 -14.965 -11.877 1.00 42.19 ? 802 211 A O3 1 HETATM 1930 C C3 . 211 C 3 . ? -15.114 -16.335 -9.201 1.00 54.09 ? 802 211 A C3 1 HETATM 1931 C C4 . 211 C 3 . ? -16.306 -15.626 -8.615 1.00 57.97 ? 802 211 A C4 1 HETATM 1932 C C5 . 211 C 3 . ? -15.628 -15.590 -11.608 1.00 40.72 ? 802 211 A C5 1 HETATM 1933 C C6 . 211 C 3 . ? -16.980 -15.655 -12.341 1.00 51.99 ? 802 211 A C6 1 HETATM 1934 N N1 . 211 C 3 . ? -15.329 -16.696 -10.635 1.00 53.34 ? 802 211 A N1 1 HETATM 1935 P P . PO4 D 4 . ? -37.687 -12.764 -13.069 0.50 57.02 ? 803 PO4 A P 1 HETATM 1936 O O1 . PO4 D 4 . ? -36.589 -13.727 -13.446 0.50 48.90 ? 803 PO4 A O1 1 HETATM 1937 O O2 . PO4 D 4 . ? -38.292 -12.140 -14.314 0.50 52.98 ? 803 PO4 A O2 1 HETATM 1938 O O3 . PO4 D 4 . ? -38.806 -13.492 -12.374 0.50 50.17 ? 803 PO4 A O3 1 HETATM 1939 O O4 . PO4 D 4 . ? -37.186 -11.761 -12.076 0.50 43.90 ? 803 PO4 A O4 1 HETATM 1940 O O . HOH E 5 . ? -20.634 -26.664 -12.440 1.00 64.11 ? 901 HOH A O 1 HETATM 1941 O O . HOH E 5 . ? -15.395 -15.450 -5.095 1.00 55.45 ? 902 HOH A O 1 HETATM 1942 O O . HOH E 5 . ? -31.500 -6.340 -18.983 1.00 56.28 ? 903 HOH A O 1 HETATM 1943 O O . HOH E 5 . ? -37.262 -27.501 2.269 1.00 53.35 ? 904 HOH A O 1 HETATM 1944 O O . HOH E 5 . ? -36.609 -18.313 6.876 1.00 51.87 ? 905 HOH A O 1 HETATM 1945 O O . HOH E 5 . ? -17.624 0.064 -2.066 1.00 52.09 ? 906 HOH A O 1 HETATM 1946 O O . HOH E 5 . ? -18.977 4.060 -21.949 1.00 50.27 ? 907 HOH A O 1 HETATM 1947 O O . HOH E 5 . ? -22.905 -0.643 -7.040 1.00 43.15 ? 908 HOH A O 1 HETATM 1948 O O . HOH E 5 . ? -28.134 1.477 -3.674 1.00 60.91 ? 909 HOH A O 1 HETATM 1949 O O . HOH E 5 . ? -0.204 -22.611 -18.059 1.00 34.67 ? 910 HOH A O 1 HETATM 1950 O O . HOH E 5 . ? -29.467 4.113 -23.304 1.00 49.63 ? 911 HOH A O 1 HETATM 1951 O O . HOH E 5 . ? -1.523 -4.868 -19.487 1.00 54.76 ? 912 HOH A O 1 HETATM 1952 O O . HOH E 5 . ? -13.651 -11.746 -29.327 1.00 56.79 ? 913 HOH A O 1 HETATM 1953 O O . HOH E 5 . ? -33.483 -14.375 -15.258 1.00 49.78 ? 914 HOH A O 1 HETATM 1954 O O . HOH E 5 . ? -11.614 0.542 -11.730 1.00 39.47 ? 915 HOH A O 1 HETATM 1955 O O . HOH E 5 . ? -3.889 -13.982 -4.467 1.00 38.49 ? 916 HOH A O 1 HETATM 1956 O O . HOH E 5 . ? -36.191 -12.152 -9.187 1.00 32.83 ? 917 HOH A O 1 HETATM 1957 O O . HOH E 5 . ? -20.403 -13.901 -6.210 1.00 42.87 ? 918 HOH A O 1 HETATM 1958 O O . HOH E 5 . ? -39.418 -15.028 -7.893 1.00 46.36 ? 919 HOH A O 1 HETATM 1959 O O . HOH E 5 . ? -4.714 -4.673 -10.023 1.00 44.54 ? 920 HOH A O 1 HETATM 1960 O O . HOH E 5 . ? -38.085 -12.000 3.311 1.00 44.02 ? 921 HOH A O 1 HETATM 1961 O O . HOH E 5 . ? -0.093 -9.329 -7.393 1.00 47.99 ? 922 HOH A O 1 HETATM 1962 O O . HOH E 5 . ? 2.353 -7.471 -12.691 1.00 53.45 ? 923 HOH A O 1 HETATM 1963 O O . HOH E 5 . ? -36.251 -27.947 -8.717 1.00 59.48 ? 924 HOH A O 1 HETATM 1964 O O . HOH E 5 . ? -3.571 -18.608 -31.927 1.00 60.09 ? 925 HOH A O 1 HETATM 1965 O O . HOH E 5 . ? -11.883 2.959 -13.124 1.00 39.17 ? 926 HOH A O 1 HETATM 1966 O O . HOH E 5 . ? -22.988 -1.426 -27.061 1.00 43.54 ? 927 HOH A O 1 HETATM 1967 O O . HOH E 5 . ? -14.973 -3.298 -7.437 1.00 34.36 ? 928 HOH A O 1 HETATM 1968 O O . HOH E 5 . ? -3.906 -16.057 -0.975 1.00 56.65 ? 929 HOH A O 1 HETATM 1969 O O . HOH E 5 . ? -25.542 -24.992 -11.246 1.00 40.73 ? 930 HOH A O 1 HETATM 1970 O O . HOH E 5 . ? -32.672 -26.337 -14.615 1.00 41.62 ? 931 HOH A O 1 HETATM 1971 O O . HOH E 5 . ? -26.828 -23.953 -16.654 1.00 41.75 ? 932 HOH A O 1 HETATM 1972 O O . HOH E 5 . ? -14.640 -26.470 -15.665 1.00 42.53 ? 933 HOH A O 1 HETATM 1973 O O . HOH E 5 . ? -21.204 -29.214 -12.437 1.00 58.63 ? 934 HOH A O 1 HETATM 1974 O O . HOH E 5 . ? 2.519 -7.466 -21.148 1.00 51.44 ? 935 HOH A O 1 HETATM 1975 O O . HOH E 5 . ? -2.237 -11.376 -24.703 1.00 44.73 ? 936 HOH A O 1 HETATM 1976 O O . HOH E 5 . ? -40.993 -15.416 -5.323 1.00 53.53 ? 937 HOH A O 1 HETATM 1977 O O . HOH E 5 . ? 1.430 -16.591 -14.866 1.00 36.11 ? 938 HOH A O 1 HETATM 1978 O O . HOH E 5 . ? -44.976 -11.486 2.201 1.00 50.63 ? 939 HOH A O 1 HETATM 1979 O O . HOH E 5 . ? -37.280 -8.119 -12.106 1.00 55.69 ? 940 HOH A O 1 HETATM 1980 O O . HOH E 5 . ? -18.576 -15.044 -9.224 1.00 50.41 ? 941 HOH A O 1 HETATM 1981 O O . HOH E 5 . ? -6.584 -24.111 -23.915 1.00 61.35 ? 942 HOH A O 1 HETATM 1982 O O . HOH E 5 . ? -5.479 -23.680 -14.713 1.00 48.49 ? 943 HOH A O 1 HETATM 1983 O O . HOH E 5 . ? -12.634 3.530 1.097 1.00 64.18 ? 944 HOH A O 1 HETATM 1984 O O . HOH E 5 . ? -5.114 -22.421 -24.924 1.00 38.93 ? 945 HOH A O 1 HETATM 1985 O O . HOH E 5 . ? -3.777 -10.847 -19.715 1.00 35.21 ? 946 HOH A O 1 HETATM 1986 O O . HOH E 5 . ? -23.904 6.730 -25.213 1.00 63.95 ? 947 HOH A O 1 HETATM 1987 O O . HOH E 5 . ? -2.554 -19.689 -7.444 1.00 61.68 ? 948 HOH A O 1 HETATM 1988 O O . HOH E 5 . ? -27.845 -21.029 2.462 1.00 47.84 ? 949 HOH A O 1 HETATM 1989 O O . HOH E 5 . ? -25.397 -14.171 2.903 1.00 62.55 ? 950 HOH A O 1 HETATM 1990 O O . HOH E 5 . ? -20.785 3.313 -4.181 1.00 54.29 ? 951 HOH A O 1 HETATM 1991 O O . HOH E 5 . ? 2.942 -9.418 -14.875 1.00 39.57 ? 952 HOH A O 1 HETATM 1992 O O . HOH E 5 . ? -18.858 5.023 -26.768 1.00 44.61 ? 953 HOH A O 1 HETATM 1993 O O . HOH E 5 . ? -10.972 -24.247 -28.864 1.00 62.49 ? 954 HOH A O 1 HETATM 1994 O O . HOH E 5 . ? -3.752 -3.919 -28.179 1.00 70.39 ? 955 HOH A O 1 HETATM 1995 O O . HOH E 5 . ? -1.251 -12.981 -27.776 1.00 58.79 ? 956 HOH A O 1 HETATM 1996 O O . HOH E 5 . ? -31.382 -29.801 -10.887 1.00 42.98 ? 957 HOH A O 1 HETATM 1997 O O . HOH E 5 . ? -23.354 -17.284 -0.630 1.00 40.58 ? 958 HOH A O 1 HETATM 1998 O O . HOH E 5 . ? -21.991 -16.719 -3.430 1.00 42.53 ? 959 HOH A O 1 HETATM 1999 O O . HOH E 5 . ? -32.795 -27.977 -7.102 1.00 52.11 ? 960 HOH A O 1 HETATM 2000 O O . HOH E 5 . ? -21.074 7.133 -11.330 1.00 54.20 ? 961 HOH A O 1 HETATM 2001 O O . HOH E 5 . ? -4.591 -21.204 -6.642 1.00 60.68 ? 962 HOH A O 1 HETATM 2002 O O . HOH E 5 . ? -8.561 -30.096 -13.753 1.00 54.91 ? 963 HOH A O 1 HETATM 2003 O O . HOH E 5 . ? -16.515 -1.740 -28.970 1.00 43.82 ? 964 HOH A O 1 HETATM 2004 O O . HOH E 5 . ? -23.925 3.049 -5.800 1.00 44.40 ? 965 HOH A O 1 HETATM 2005 O O . HOH E 5 . ? -9.821 -12.586 -28.306 1.00 50.36 ? 966 HOH A O 1 HETATM 2006 O O . HOH E 5 . ? -7.506 -34.916 -19.583 1.00 58.84 ? 967 HOH A O 1 HETATM 2007 O O . HOH E 5 . ? -4.816 -18.401 -5.613 1.00 51.08 ? 968 HOH A O 1 HETATM 2008 O O . HOH E 5 . ? -26.002 6.371 -16.839 1.00 63.36 ? 969 HOH A O 1 HETATM 2009 O O . HOH E 5 . ? 1.188 -10.702 -22.794 1.00 50.54 ? 970 HOH A O 1 HETATM 2010 O O . HOH E 5 . ? -22.728 7.236 -15.662 1.00 37.91 ? 971 HOH A O 1 HETATM 2011 O O . HOH E 5 . ? -10.287 1.337 -25.861 1.00 52.14 ? 972 HOH A O 1 HETATM 2012 O O . HOH E 5 . ? -9.491 -11.219 0.177 1.00 59.74 ? 973 HOH A O 1 HETATM 2013 O O . HOH E 5 . ? -12.783 -28.579 -27.458 1.00 63.82 ? 974 HOH A O 1 HETATM 2014 O O . HOH E 5 . ? -38.711 -7.028 -0.024 1.00 51.12 ? 975 HOH A O 1 HETATM 2015 O O . HOH E 5 . ? -17.455 8.310 -8.974 1.00 50.97 ? 976 HOH A O 1 HETATM 2016 O O . HOH E 5 . ? -10.881 -31.870 -25.673 1.00 58.77 ? 977 HOH A O 1 HETATM 2017 O O . HOH E 5 . ? -25.824 -0.364 -0.358 1.00 48.55 ? 978 HOH A O 1 HETATM 2018 O O . HOH E 5 . ? -2.909 -2.103 -17.314 1.00 47.87 ? 979 HOH A O 1 HETATM 2019 O O . HOH E 5 . ? -27.118 -24.083 4.297 1.00 67.06 ? 980 HOH A O 1 HETATM 2020 O O . HOH E 5 . ? -43.410 -16.466 -16.103 1.00 71.01 ? 981 HOH A O 1 HETATM 2021 O O . HOH E 5 . ? -7.889 -2.237 -15.621 1.00 53.51 ? 982 HOH A O 1 HETATM 2022 O O . HOH E 5 . ? -22.986 1.775 -0.550 1.00 56.16 ? 983 HOH A O 1 HETATM 2023 O O . HOH E 5 . ? -4.266 -23.712 -16.902 1.00 60.20 ? 984 HOH A O 1 HETATM 2024 O O . HOH E 5 . ? -5.973 -23.513 -6.557 1.00 56.09 ? 985 HOH A O 1 HETATM 2025 O O . HOH E 5 . ? -41.280 -21.425 -11.272 1.00 43.89 ? 986 HOH A O 1 HETATM 2026 O O . HOH E 5 . ? -37.363 -8.357 1.929 1.00 52.86 ? 987 HOH A O 1 HETATM 2027 O O . HOH E 5 . ? -15.893 5.734 -6.587 1.00 43.04 ? 988 HOH A O 1 HETATM 2028 O O . HOH E 5 . ? -22.805 -4.251 -27.909 1.00 42.58 ? 989 HOH A O 1 HETATM 2029 O O . HOH E 5 . ? -3.158 -8.700 -18.112 1.00 40.60 ? 990 HOH A O 1 HETATM 2030 O O . HOH E 5 . ? -31.909 -2.799 -22.212 1.00 55.16 ? 991 HOH A O 1 HETATM 2031 O O . HOH E 5 . ? -4.169 -24.654 -12.792 1.00 47.73 ? 992 HOH A O 1 HETATM 2032 O O . HOH E 5 . ? -32.819 -10.388 -18.811 1.00 54.64 ? 993 HOH A O 1 HETATM 2033 O O . HOH E 5 . ? -32.992 -2.421 -1.287 1.00 72.31 ? 994 HOH A O 1 HETATM 2034 O O . HOH E 5 . ? -33.475 -6.796 -3.909 1.00 47.80 ? 995 HOH A O 1 HETATM 2035 O O . HOH E 5 . ? -34.761 -6.923 8.031 1.00 57.91 ? 996 HOH A O 1 HETATM 2036 O O . HOH E 5 . ? -0.237 -23.832 -7.588 1.00 61.07 ? 997 HOH A O 1 HETATM 2037 O O . HOH E 5 . ? -22.103 -23.659 -24.619 1.00 59.60 ? 998 HOH A O 1 HETATM 2038 O O . HOH E 5 . ? -29.901 -5.780 -1.542 1.00 47.96 ? 999 HOH A O 1 HETATM 2039 O O . HOH E 5 . ? -25.203 4.213 -29.560 1.00 58.59 ? 1000 HOH A O 1 HETATM 2040 O O . HOH E 5 . ? -41.543 -22.779 -7.678 1.00 57.08 ? 1001 HOH A O 1 HETATM 2041 O O . HOH E 5 . ? -24.830 -11.117 -28.116 1.00 47.45 ? 1002 HOH A O 1 HETATM 2042 O O . HOH E 5 . ? -12.639 -21.668 -28.274 1.00 48.25 ? 1003 HOH A O 1 HETATM 2043 O O . HOH E 5 . ? -32.520 -23.374 -21.616 1.00 63.39 ? 1004 HOH A O 1 HETATM 2044 O O . HOH E 5 . ? -0.053 -11.446 -9.134 1.00 42.12 ? 1005 HOH A O 1 HETATM 2045 O O . HOH E 5 . ? -38.169 -22.840 8.035 1.00 58.99 ? 1006 HOH A O 1 HETATM 2046 O O . HOH E 5 . ? -0.090 -13.460 -7.366 1.00 61.01 ? 1007 HOH A O 1 HETATM 2047 O O . HOH E 5 . ? -29.885 0.199 -8.851 1.00 54.34 ? 1008 HOH A O 1 HETATM 2048 O O . HOH E 5 . ? -33.342 -6.436 -16.701 1.00 64.88 ? 1009 HOH A O 1 HETATM 2049 O O . HOH E 5 . ? -24.273 -32.405 -20.726 1.00 69.10 ? 1010 HOH A O 1 HETATM 2050 O O . HOH E 5 . ? -16.281 -29.634 -18.913 1.00 49.26 ? 1011 HOH A O 1 HETATM 2051 O O . HOH E 5 . ? -20.713 -20.485 -1.347 1.00 66.98 ? 1012 HOH A O 1 HETATM 2052 O O . HOH E 5 . ? -40.395 -24.306 -14.527 1.00 46.34 ? 1013 HOH A O 1 HETATM 2053 O O . HOH E 5 . ? -26.426 -14.811 5.184 1.00 56.32 ? 1014 HOH A O 1 HETATM 2054 O O . HOH E 5 . ? -34.643 -0.984 0.310 1.00 70.16 ? 1015 HOH A O 1 HETATM 2055 O O . HOH E 5 . ? -11.482 -25.178 -9.195 1.00 51.36 ? 1016 HOH A O 1 HETATM 2056 O O . HOH E 5 . ? -33.073 -16.915 -19.094 1.00 56.46 ? 1017 HOH A O 1 HETATM 2057 O O . HOH E 5 . ? -37.500 -8.575 -23.252 1.00 61.92 ? 1018 HOH A O 1 HETATM 2058 O O . HOH E 5 . ? -22.980 -16.565 -31.523 1.00 61.73 ? 1019 HOH A O 1 HETATM 2059 O O . HOH E 5 . ? -10.809 -33.285 -23.542 1.00 67.34 ? 1020 HOH A O 1 HETATM 2060 O O . HOH E 5 . ? -4.624 3.309 -5.355 1.00 57.23 ? 1021 HOH A O 1 HETATM 2061 O O . HOH E 5 . ? -5.335 -26.368 -10.719 1.00 54.66 ? 1022 HOH A O 1 HETATM 2062 O O . HOH E 5 . ? -15.516 -28.073 -13.267 1.00 64.37 ? 1023 HOH A O 1 HETATM 2063 O O . HOH E 5 . ? -6.055 -0.028 -18.939 1.00 53.51 ? 1024 HOH A O 1 HETATM 2064 O O . HOH E 5 . ? -22.563 -21.058 -29.157 1.00 66.24 ? 1025 HOH A O 1 HETATM 2065 O O . HOH E 5 . ? -2.579 -22.845 -25.735 1.00 54.23 ? 1026 HOH A O 1 HETATM 2066 O O . HOH E 5 . ? -27.359 3.813 -6.205 1.00 56.49 ? 1027 HOH A O 1 HETATM 2067 O O . HOH E 5 . ? -20.565 -31.416 -8.826 1.00 73.93 ? 1028 HOH A O 1 HETATM 2068 O O . HOH E 5 . ? -16.379 -26.153 -11.767 1.00 64.06 ? 1029 HOH A O 1 HETATM 2069 O O . HOH E 5 . ? -35.353 -3.221 2.579 1.00 69.34 ? 1030 HOH A O 1 HETATM 2070 O O . HOH E 5 . ? -5.339 -5.050 0.352 1.00 69.44 ? 1031 HOH A O 1 HETATM 2071 O O . HOH E 5 . ? -36.148 -16.680 -18.769 1.00 55.08 ? 1032 HOH A O 1 HETATM 2072 O O . HOH E 5 . ? -26.148 -27.600 -0.781 1.00 71.80 ? 1033 HOH A O 1 HETATM 2073 O O . HOH E 5 . ? -29.935 5.258 -6.842 1.00 72.63 ? 1034 HOH A O 1 HETATM 2074 O O . HOH E 5 . ? -19.343 -21.640 -30.175 1.00 70.84 ? 1035 HOH A O 1 HETATM 2075 O O . HOH E 5 . ? 0.045 -10.150 -3.274 1.00 66.33 ? 1036 HOH A O 1 HETATM 2076 O O . HOH E 5 . ? -6.111 -18.123 -30.907 1.00 63.26 ? 1037 HOH A O 1 HETATM 2077 O O . HOH E 5 . ? -1.280 -12.553 -4.558 1.00 59.44 ? 1038 HOH A O 1 HETATM 2078 O O . HOH E 5 . ? -13.280 -29.091 -11.742 1.00 63.73 ? 1039 HOH A O 1 HETATM 2079 O O . HOH E 5 . ? -19.437 -16.575 -7.080 1.00 59.88 ? 1040 HOH A O 1 HETATM 2080 O O . HOH E 5 . ? -33.775 -7.599 -19.021 1.00 55.99 ? 1041 HOH A O 1 HETATM 2081 O O . HOH E 5 . ? -24.060 -10.284 -30.556 1.00 56.49 ? 1042 HOH A O 1 HETATM 2082 O O . HOH E 5 . ? -7.926 -2.390 -11.462 1.00 45.58 ? 1043 HOH A O 1 HETATM 2083 O O . HOH E 5 . ? -37.066 -9.416 -20.483 1.00 74.14 ? 1044 HOH A O 1 HETATM 2084 O O . HOH E 5 . ? -9.197 -25.127 -35.732 1.00 66.74 ? 1045 HOH A O 1 HETATM 2085 O O . HOH E 5 . ? -29.739 -21.944 -23.890 1.00 62.61 ? 1046 HOH A O 1 HETATM 2086 O O . HOH E 5 . ? -33.847 -5.152 -8.115 1.00 51.82 ? 1047 HOH A O 1 HETATM 2087 O O . HOH E 5 . ? -26.877 4.908 6.498 1.00 65.17 ? 1048 HOH A O 1 HETATM 2088 O O . HOH E 5 . ? -25.437 -16.447 2.079 1.00 62.29 ? 1049 HOH A O 1 HETATM 2089 O O . HOH E 5 . ? -16.149 -1.533 -31.728 1.00 49.79 ? 1050 HOH A O 1 HETATM 2090 O O . HOH E 5 . ? -33.730 -3.978 -5.832 1.00 62.11 ? 1051 HOH A O 1 HETATM 2091 O O . HOH E 5 . ? -35.229 -4.013 8.416 1.00 60.27 ? 1052 HOH A O 1 HETATM 2092 O O . HOH E 5 . ? -22.957 3.445 -2.829 1.00 51.18 ? 1053 HOH A O 1 HETATM 2093 O O . HOH E 5 . ? -20.960 -15.811 -32.642 1.00 67.16 ? 1054 HOH A O 1 HETATM 2094 O O . HOH E 5 . ? -19.538 -31.267 -11.399 1.00 73.98 ? 1055 HOH A O 1 HETATM 2095 O O . HOH E 5 . ? -16.416 -31.241 -14.266 1.00 62.22 ? 1056 HOH A O 1 HETATM 2096 O O . HOH E 5 . ? -22.780 10.073 -15.614 1.00 55.86 ? 1057 HOH A O 1 HETATM 2097 O O . HOH E 5 . ? -32.354 -5.888 -0.716 1.00 55.30 ? 1058 HOH A O 1 HETATM 2098 O O . HOH E 5 . ? -34.536 -6.021 0.592 1.00 62.44 ? 1059 HOH A O 1 HETATM 2099 O O . HOH E 5 . ? -13.460 -31.876 -26.927 1.00 66.91 ? 1060 HOH A O 1 HETATM 2100 O O . HOH E 5 . ? -36.026 -4.461 6.046 1.00 58.47 ? 1061 HOH A O 1 HETATM 2101 O O . HOH E 5 . ? -37.699 -6.902 -21.098 1.00 71.92 ? 1062 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 801 801 NAG NAG A . C 3 211 1 802 373 211 211 A . D 4 PO4 1 803 1 PO4 PO4 A . E 5 HOH 1 901 110 HOH HOH A . E 5 HOH 2 902 160 HOH HOH A . E 5 HOH 3 903 29 HOH HOH A . E 5 HOH 4 904 50 HOH HOH A . E 5 HOH 5 905 53 HOH HOH A . E 5 HOH 6 906 105 HOH HOH A . E 5 HOH 7 907 74 HOH HOH A . E 5 HOH 8 908 17 HOH HOH A . E 5 HOH 9 909 41 HOH HOH A . E 5 HOH 10 910 21 HOH HOH A . E 5 HOH 11 911 43 HOH HOH A . E 5 HOH 12 912 136 HOH HOH A . E 5 HOH 13 913 77 HOH HOH A . E 5 HOH 14 914 60 HOH HOH A . E 5 HOH 15 915 140 HOH HOH A . E 5 HOH 16 916 45 HOH HOH A . E 5 HOH 17 917 12 HOH HOH A . E 5 HOH 18 918 156 HOH HOH A . E 5 HOH 19 919 115 HOH HOH A . E 5 HOH 20 920 18 HOH HOH A . E 5 HOH 21 921 56 HOH HOH A . E 5 HOH 22 922 13 HOH HOH A . E 5 HOH 23 923 148 HOH HOH A . E 5 HOH 24 924 84 HOH HOH A . E 5 HOH 25 925 104 HOH HOH A . E 5 HOH 26 926 85 HOH HOH A . E 5 HOH 27 927 37 HOH HOH A . E 5 HOH 28 928 11 HOH HOH A . E 5 HOH 29 929 44 HOH HOH A . E 5 HOH 30 930 39 HOH HOH A . E 5 HOH 31 931 36 HOH HOH A . E 5 HOH 32 932 10 HOH HOH A . E 5 HOH 33 933 1 HOH HOH A . E 5 HOH 34 934 95 HOH HOH A . E 5 HOH 35 935 25 HOH HOH A . E 5 HOH 36 936 30 HOH HOH A . E 5 HOH 37 937 57 HOH HOH A . E 5 HOH 38 938 66 HOH HOH A . E 5 HOH 39 939 145 HOH HOH A . E 5 HOH 40 940 23 HOH HOH A . E 5 HOH 41 941 159 HOH HOH A . E 5 HOH 42 942 102 HOH HOH A . E 5 HOH 43 943 97 HOH HOH A . E 5 HOH 44 944 146 HOH HOH A . E 5 HOH 45 945 14 HOH HOH A . E 5 HOH 46 946 7 HOH HOH A . E 5 HOH 47 947 93 HOH HOH A . E 5 HOH 48 948 62 HOH HOH A . E 5 HOH 49 949 8 HOH HOH A . E 5 HOH 50 950 55 HOH HOH A . E 5 HOH 51 951 31 HOH HOH A . E 5 HOH 52 952 16 HOH HOH A . E 5 HOH 53 953 73 HOH HOH A . E 5 HOH 54 954 127 HOH HOH A . E 5 HOH 55 955 141 HOH HOH A . E 5 HOH 56 956 142 HOH HOH A . E 5 HOH 57 957 90 HOH HOH A . E 5 HOH 58 958 4 HOH HOH A . E 5 HOH 59 959 157 HOH HOH A . E 5 HOH 60 960 49 HOH HOH A . E 5 HOH 61 961 68 HOH HOH A . E 5 HOH 62 962 113 HOH HOH A . E 5 HOH 63 963 98 HOH HOH A . E 5 HOH 64 964 15 HOH HOH A . E 5 HOH 65 965 24 HOH HOH A . E 5 HOH 66 966 27 HOH HOH A . E 5 HOH 67 967 139 HOH HOH A . E 5 HOH 68 968 33 HOH HOH A . E 5 HOH 69 969 69 HOH HOH A . E 5 HOH 70 970 83 HOH HOH A . E 5 HOH 71 971 26 HOH HOH A . E 5 HOH 72 972 47 HOH HOH A . E 5 HOH 73 973 32 HOH HOH A . E 5 HOH 74 974 100 HOH HOH A . E 5 HOH 75 975 58 HOH HOH A . E 5 HOH 76 976 65 HOH HOH A . E 5 HOH 77 977 150 HOH HOH A . E 5 HOH 78 978 3 HOH HOH A . E 5 HOH 79 979 135 HOH HOH A . E 5 HOH 80 980 48 HOH HOH A . E 5 HOH 81 981 91 HOH HOH A . E 5 HOH 82 982 164 HOH HOH A . E 5 HOH 83 983 64 HOH HOH A . E 5 HOH 84 984 130 HOH HOH A . E 5 HOH 85 985 6 HOH HOH A . E 5 HOH 86 986 38 HOH HOH A . E 5 HOH 87 987 9 HOH HOH A . E 5 HOH 88 988 67 HOH HOH A . E 5 HOH 89 989 42 HOH HOH A . E 5 HOH 90 990 28 HOH HOH A . E 5 HOH 91 991 40 HOH HOH A . E 5 HOH 92 992 2 HOH HOH A . E 5 HOH 93 993 75 HOH HOH A . E 5 HOH 94 994 88 HOH HOH A . E 5 HOH 95 995 22 HOH HOH A . E 5 HOH 96 996 82 HOH HOH A . E 5 HOH 97 997 134 HOH HOH A . E 5 HOH 98 998 35 HOH HOH A . E 5 HOH 99 999 124 HOH HOH A . E 5 HOH 100 1000 106 HOH HOH A . E 5 HOH 101 1001 51 HOH HOH A . E 5 HOH 102 1002 117 HOH HOH A . E 5 HOH 103 1003 19 HOH HOH A . E 5 HOH 104 1004 34 HOH HOH A . E 5 HOH 105 1005 5 HOH HOH A . E 5 HOH 106 1006 52 HOH HOH A . E 5 HOH 107 1007 138 HOH HOH A . E 5 HOH 108 1008 72 HOH HOH A . E 5 HOH 109 1009 125 HOH HOH A . E 5 HOH 110 1010 144 HOH HOH A . E 5 HOH 111 1011 20 HOH HOH A . E 5 HOH 112 1012 155 HOH HOH A . E 5 HOH 113 1013 89 HOH HOH A . E 5 HOH 114 1014 54 HOH HOH A . E 5 HOH 115 1015 153 HOH HOH A . E 5 HOH 116 1016 129 HOH HOH A . E 5 HOH 117 1017 111 HOH HOH A . E 5 HOH 118 1018 112 HOH HOH A . E 5 HOH 119 1019 87 HOH HOH A . E 5 HOH 120 1020 161 HOH HOH A . E 5 HOH 121 1021 133 HOH HOH A . E 5 HOH 122 1022 114 HOH HOH A . E 5 HOH 123 1023 99 HOH HOH A . E 5 HOH 124 1024 152 HOH HOH A . E 5 HOH 125 1025 86 HOH HOH A . E 5 HOH 126 1026 126 HOH HOH A . E 5 HOH 127 1027 70 HOH HOH A . E 5 HOH 128 1028 147 HOH HOH A . E 5 HOH 129 1029 128 HOH HOH A . E 5 HOH 130 1030 123 HOH HOH A . E 5 HOH 131 1031 151 HOH HOH A . E 5 HOH 132 1032 76 HOH HOH A . E 5 HOH 133 1033 61 HOH HOH A . E 5 HOH 134 1034 71 HOH HOH A . E 5 HOH 135 1035 120 HOH HOH A . E 5 HOH 136 1036 46 HOH HOH A . E 5 HOH 137 1037 103 HOH HOH A . E 5 HOH 138 1038 154 HOH HOH A . E 5 HOH 139 1039 92 HOH HOH A . E 5 HOH 140 1040 158 HOH HOH A . E 5 HOH 141 1041 143 HOH HOH A . E 5 HOH 142 1042 118 HOH HOH A . E 5 HOH 143 1043 78 HOH HOH A . E 5 HOH 144 1044 137 HOH HOH A . E 5 HOH 145 1045 131 HOH HOH A . E 5 HOH 146 1046 94 HOH HOH A . E 5 HOH 147 1047 79 HOH HOH A . E 5 HOH 148 1048 107 HOH HOH A . E 5 HOH 149 1049 116 HOH HOH A . E 5 HOH 150 1050 96 HOH HOH A . E 5 HOH 151 1051 122 HOH HOH A . E 5 HOH 152 1052 81 HOH HOH A . E 5 HOH 153 1053 63 HOH HOH A . E 5 HOH 154 1054 108 HOH HOH A . E 5 HOH 155 1055 149 HOH HOH A . E 5 HOH 156 1056 109 HOH HOH A . E 5 HOH 157 1057 132 HOH HOH A . E 5 HOH 158 1058 80 HOH HOH A . E 5 HOH 159 1059 59 HOH HOH A . E 5 HOH 160 1060 101 HOH HOH A . E 5 HOH 161 1061 121 HOH HOH A . E 5 HOH 162 1062 119 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _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 # _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 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2015-08-12 # _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 ? # _phasing.method MR # 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 ? ? ? 5.8.0073 1 ? 'data collection' ? ? ? ? ? ? ? ? ? ? ? DENZO ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 5 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 6 ? phasing ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 7 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 68 ? ? -147.43 -4.77 2 1 LEU A 77 ? ? 49.71 -101.86 3 1 PRO A 106 ? ? -86.52 44.91 4 1 LYS A 120 ? ? -171.12 146.77 5 1 THR A 158 ? ? -113.51 -78.11 6 1 ASN A 236 ? ? -85.59 -70.57 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 "2,2',2''-NITRILOTRIETHANOL" 211 4 'PHOSPHATE ION' PO4 5 water HOH #