data_4XY7 # _entry.id 4XY7 # _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 4XY7 WWPDB D_1000206509 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 3S9Q _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 4XY7 _pdbx_database_status.recvd_initial_deposition_date 2015-02-02 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamini, S.' 1 'Pandey, S.' 2 'Kaur, P.' 3 'Sharma, S.' 4 'Singh, T.P.' 5 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _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 ;Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N- acetylglucosamine at 2.5 A 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 'Yamini, S.' 1 primary 'Pandey, S.' 2 primary 'Kaur, P.' 3 primary 'Sharma, S.' 4 primary 'Singh, T.P.' 5 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 4XY7 _cell.details ? _cell.formula_units_Z ? _cell.length_a 129.919 _cell.length_a_esd ? _cell.length_b 129.919 _cell.length_b_esd ? _cell.length_c 40.709 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 9 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 4XY7 _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Ribosome inactivating protein' 27093.756 1 3.2.2.22 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 4 water nat water 18.015 192 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _entity_poly.pdbx_seq_one_letter_code_can ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 VAL n 1 3 SER n 1 4 PHE n 1 5 ARG n 1 6 LEU n 1 7 SER n 1 8 GLY n 1 9 ALA n 1 10 ASP n 1 11 PRO n 1 12 SER n 1 13 SER n 1 14 TYR n 1 15 GLY n 1 16 MET n 1 17 PHE n 1 18 ILE n 1 19 LYS n 1 20 ASP n 1 21 LEU n 1 22 ARG n 1 23 ASN n 1 24 ALA n 1 25 LEU n 1 26 PRO n 1 27 HIS n 1 28 THR n 1 29 GLU n 1 30 LYS n 1 31 VAL n 1 32 TYR n 1 33 ASN n 1 34 ILE n 1 35 PRO n 1 36 LEU n 1 37 LEU n 1 38 LEU n 1 39 PRO n 1 40 SER n 1 41 VAL n 1 42 SER n 1 43 GLY n 1 44 ALA n 1 45 GLY n 1 46 ARG n 1 47 TYR n 1 48 LEU n 1 49 LEU n 1 50 MET n 1 51 HIS n 1 52 LEU n 1 53 PHE n 1 54 ASN n 1 55 TYR n 1 56 ASP n 1 57 GLY n 1 58 ASN n 1 59 THR n 1 60 ILE n 1 61 THR n 1 62 VAL n 1 63 ALA n 1 64 VAL n 1 65 ASP n 1 66 VAL n 1 67 THR n 1 68 ASN n 1 69 VAL n 1 70 TYR n 1 71 ILE n 1 72 MET n 1 73 GLY n 1 74 TYR n 1 75 LEU n 1 76 ALA n 1 77 LEU n 1 78 THR n 1 79 THR n 1 80 SER n 1 81 TYR n 1 82 PHE n 1 83 PHE n 1 84 ASN n 1 85 GLU n 1 86 PRO n 1 87 ALA n 1 88 ALA n 1 89 ASP n 1 90 LEU n 1 91 ALA n 1 92 SER n 1 93 GLN n 1 94 TYR n 1 95 VAL n 1 96 PHE n 1 97 ARG n 1 98 SER n 1 99 ALA n 1 100 ARG n 1 101 ARG n 1 102 LYS n 1 103 ILE n 1 104 THR n 1 105 LEU n 1 106 PRO n 1 107 TYR n 1 108 SER n 1 109 GLY n 1 110 ASN n 1 111 TYR n 1 112 GLU n 1 113 ARG n 1 114 LEU n 1 115 GLN n 1 116 ILE n 1 117 ALA n 1 118 ALA n 1 119 GLY n 1 120 LYS n 1 121 PRO n 1 122 ARG n 1 123 GLU n 1 124 LYS n 1 125 ILE n 1 126 PRO n 1 127 ILE n 1 128 GLY n 1 129 LEU n 1 130 PRO n 1 131 ALA n 1 132 LEU n 1 133 ASP n 1 134 THR n 1 135 ALA n 1 136 ILE n 1 137 SER n 1 138 THR n 1 139 LEU n 1 140 LEU n 1 141 HIS n 1 142 TYR n 1 143 ASP n 1 144 SER n 1 145 THR n 1 146 ALA n 1 147 ALA n 1 148 ALA n 1 149 GLY n 1 150 ALA n 1 151 LEU n 1 152 LEU n 1 153 VAL n 1 154 LEU n 1 155 ILE n 1 156 GLN n 1 157 THR n 1 158 THR n 1 159 ALA n 1 160 GLU n 1 161 ALA n 1 162 ALA n 1 163 ARG n 1 164 PHE n 1 165 LYS n 1 166 TYR n 1 167 ILE n 1 168 GLU n 1 169 GLN n 1 170 GLN n 1 171 ILE n 1 172 GLN n 1 173 GLU n 1 174 ARG n 1 175 ALA n 1 176 TYR n 1 177 ARG n 1 178 ASP n 1 179 GLU n 1 180 VAL n 1 181 PRO n 1 182 SER n 1 183 SER n 1 184 ALA n 1 185 THR n 1 186 ILE n 1 187 SER n 1 188 LEU n 1 189 GLU n 1 190 ASN n 1 191 SER n 1 192 TRP n 1 193 SER n 1 194 GLY n 1 195 LEU n 1 196 SER n 1 197 LYS n 1 198 GLN n 1 199 ILE n 1 200 GLN n 1 201 LEU n 1 202 ALA n 1 203 GLN n 1 204 GLY n 1 205 ASN n 1 206 ASN n 1 207 GLY n 1 208 VAL n 1 209 PHE n 1 210 ARG n 1 211 THR n 1 212 PRO n 1 213 THR n 1 214 VAL n 1 215 LEU n 1 216 VAL n 1 217 ASP n 1 218 SER n 1 219 LYS n 1 220 GLY n 1 221 ASN n 1 222 ARG n 1 223 VAL n 1 224 GLN n 1 225 ILE n 1 226 THR n 1 227 ASN n 1 228 VAL n 1 229 THR n 1 230 SER n 1 231 ASN n 1 232 VAL n 1 233 VAL n 1 234 THR n 1 235 SER n 1 236 ASN n 1 237 ILE n 1 238 GLN n 1 239 LEU n 1 240 LEU n 1 241 LEU n 1 242 ASN n 1 243 THR n 1 244 LYS n 1 245 ASN n 1 246 ILE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 246 _entity_src_nat.common_name 'Bitter gourd' _entity_src_nat.pdbx_organism_scientific 'Momordica balsamina' _entity_src_nat.pdbx_ncbi_taxonomy_id 3672 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code D9J2T9_MOMBA _struct_ref.pdbx_db_accession D9J2T9 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4XY7 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 246 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession D9J2T9 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 246 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 246 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4XY7 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.44 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.60 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.7 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate, 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 2014-11-15 # _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 66.8 _reflns.entry_id 4XY7 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.50 _reflns.d_resolution_low 37.5 _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 8704 _reflns.number_obs 8704 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.7 _reflns.pdbx_Rmerge_I_obs 0.07 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 10 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.5 _reflns_shell.d_res_low 2.64 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.9 _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 .615 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -11.81 _refine.aniso_B[1][2] -2.72 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -11.81 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] 23.63 _refine.B_iso_max ? _refine.B_iso_mean 61.7 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4XY7 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.50 _refine.ls_d_res_low 37.5 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 8704 _refine.ls_number_reflns_R_free 483 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 98.0 _refine.ls_percent_reflns_R_free 5.5 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.194 _refine.ls_R_factor_R_free 0.212 _refine.ls_R_factor_R_free_error 0.010 _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.194 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_bsol 79.2025 _refine.solvent_model_param_ksol 0.376089 _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF 2685452.53 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 3S9Q _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 4XY7 _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free 0.34 _refine_analyze.Luzzati_coordinate_error_obs 0.29 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_sigma_a_free 0.43 _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs 0.37 _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 0 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 0 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 37.5 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.009 ? ? ? c_bond_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_bond_d_na ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_bond_d_prot ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_angle_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_angle_d_na ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_angle_d_prot ? ? 'X-RAY DIFFRACTION' ? 1.5 ? ? ? c_angle_deg ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_angle_deg_na ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_angle_deg_prot ? ? 'X-RAY DIFFRACTION' ? 24.2 ? ? ? c_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_dihedral_angle_d_na ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_dihedral_angle_d_prot ? ? 'X-RAY DIFFRACTION' ? 0.94 ? ? ? c_improper_angle_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_improper_angle_d_na ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_improper_angle_d_prot ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_mcbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_mcangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_scbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? c_scangle_it ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.50 _refine_ls_shell.d_res_low 2.66 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 82 _refine_ls_shell.number_reflns_R_work 1290 _refine_ls_shell.percent_reflns_obs 91.9 _refine_ls_shell.percent_reflns_R_free 6.0 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.342 _refine_ls_shell.R_factor_R_free_error 0.038 _refine_ls_shell.R_factor_R_work 0.294 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # loop_ _pdbx_xplor_file.pdbx_refine_id _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file 'X-RAY DIFFRACTION' 1 CNS_TOPPAR/protein_rep.param CNS_TOPPAR/protein.top 'X-RAY DIFFRACTION' 2 CNS_TOPPAR/ion.param CNS_TOPPAR/ion.top 'X-RAY DIFFRACTION' 3 CNS_TOPPAR/water_rep.param CNS_TOPPAR/water.top 'X-RAY DIFFRACTION' 4 CNS_TOPPAR/carbohydrate.param CNS_TOPPAR/carbohydrate.top 'X-RAY DIFFRACTION' 5 lig.par lig.top # _struct.entry_id 4XY7 _struct.title ;Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 2.5 A resolution ; _struct.pdbx_descriptor 'Ribosome Inactivating Protein (E.C.3.2.2.22 )' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4XY7 _struct_keywords.text 'Ribosome inactivating protein, N-acetylglucosamine, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? # 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 GLY A 43 ? GLY A 45 ? GLY A 43 GLY A 45 5 ? 3 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 SER A 144 ? THR A 158 ? SER A 144 THR A 158 1 ? 15 HELX_P HELX_P8 AA8 THR A 158 ? PHE A 164 ? THR A 158 PHE A 164 1 ? 7 HELX_P HELX_P9 AA9 PHE A 164 ? ARG A 174 ? PHE A 164 ARG A 174 1 ? 11 HELX_P HELX_P10 AB1 SER A 182 ? ALA A 202 ? SER A 182 ALA A 202 1 ? 21 HELX_P HELX_P11 AB2 GLN A 203 ? ASN A 205 ? GLN A 203 ASN A 205 5 ? 3 HELX_P HELX_P12 AB3 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P13 AB4 ASN A 242 ? ILE A 246 ? ASN A 242 ILE A 246 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 227 _struct_conn.ptnr1_label_atom_id ND2 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_conn.pdbx_ptnr1_standard_comp_id ? _struct_conn.ptnr1_symmetry 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 227 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 301 _struct_conn.ptnr2_symmetry 1_555 _struct_conn.pdbx_ptnr3_label_atom_id ? _struct_conn.pdbx_ptnr3_label_seq_id ? _struct_conn.pdbx_ptnr3_label_comp_id ? _struct_conn.pdbx_ptnr3_label_asym_id ? _struct_conn.pdbx_ptnr3_label_alt_id ? _struct_conn.pdbx_ptnr3_PDB_ins_code ? _struct_conn.details ? _struct_conn.pdbx_dist_value 1.543 _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 SER A 3 ? ARG A 5 ? SER A 3 ARG A 5 AA1 2 TYR A 47 ? PHE A 53 ? TYR A 47 PHE A 53 AA1 3 THR A 59 ? ASP A 65 ? THR A 59 ASP A 65 AA1 4 ILE A 71 ? ALA A 76 ? ILE A 71 ALA A 76 AA1 5 THR A 79 ? PHE A 82 ? THR A 79 PHE A 82 AA1 6 ARG A 101 ? THR A 104 ? ARG A 101 THR A 104 AA2 1 HIS A 27 ? VAL A 31 ? HIS A 27 VAL A 31 AA2 2 ILE A 34 ? LEU A 37 ? ILE A 34 LEU A 37 AA3 1 VAL A 208 ? VAL A 216 ? VAL A 208 VAL A 216 AA3 2 ARG A 222 ? ASN A 227 ? ARG A 222 ASN A 227 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N PHE A 4 ? N PHE A 4 O PHE A 53 ? O PHE A 53 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 GLY A 73 ? O GLY A 73 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 PHE A 209 ? N PHE A 209 O THR A 226 ? O THR A 226 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A GOL 302 ? 5 'binding site for residue GOL A 302' AC2 Software A GOL 303 ? 6 'binding site for residue GOL A 303' AC3 Software A NAG 301 ? 5 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 227' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 LEU A 6 ? LEU A 6 . ? 1_555 ? 2 AC1 5 GLY A 8 ? GLY A 8 . ? 1_555 ? 3 AC1 5 ALA A 9 ? ALA A 9 . ? 1_555 ? 4 AC1 5 ARG A 101 ? ARG A 101 . ? 2_555 ? 5 AC1 5 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC2 6 ASN A 33 ? ASN A 33 . ? 1_555 ? 7 AC2 6 THR A 234 ? THR A 234 . ? 1_555 ? 8 AC2 6 SER A 235 ? SER A 235 . ? 1_555 ? 9 AC2 6 ILE A 237 ? ILE A 237 . ? 1_555 ? 10 AC2 6 GLN A 238 ? GLN A 238 . ? 1_555 ? 11 AC2 6 HOH E . ? HOH A 560 . ? 1_555 ? 12 AC3 5 THR A 226 ? THR A 226 . ? 1_555 ? 13 AC3 5 ASN A 227 ? ASN A 227 . ? 1_555 ? 14 AC3 5 THR A 229 ? THR A 229 . ? 1_555 ? 15 AC3 5 HOH E . ? HOH A 520 . ? 1_555 ? 16 AC3 5 HOH E . ? HOH A 580 . ? 1_555 ? # _atom_sites.entry_id 4XY7 _atom_sites.fract_transf_matrix[1][1] 0.007697 _atom_sites.fract_transf_matrix[1][2] 0.004444 _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] 0.008888 _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] 0.024565 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -3.513 -27.839 3.230 1.00 80.36 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -3.244 -27.781 1.761 1.00 80.87 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -1.832 -27.257 1.508 1.00 78.92 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -1.015 -27.208 2.443 1.00 80.72 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -4.250 -26.877 1.055 1.00 83.76 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -5.678 -27.118 1.518 1.00 86.08 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -6.426 -27.864 0.831 1.00 85.34 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -6.038 -26.554 2.584 1.00 88.29 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -1.548 -26.805 0.285 1.00 75.33 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -0.188 -26.371 -0.057 1.00 72.10 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? 0.175 -24.914 0.143 1.00 68.47 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -0.453 -24.031 -0.430 1.00 70.10 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? 0.145 -26.776 -1.519 1.00 71.26 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -0.025 -28.299 -1.674 1.00 71.55 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -0.756 -26.052 -2.490 1.00 69.33 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? 1.205 -24.684 0.953 1.00 65.24 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? 1.694 -23.339 1.275 1.00 64.37 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? 3.033 -23.036 0.650 1.00 62.97 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? 3.862 -23.919 0.459 1.00 63.86 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? 1.866 -23.167 2.782 1.00 63.33 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? 0.628 -23.263 3.449 1.00 68.11 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? 3.234 -21.771 0.326 1.00 62.07 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? 4.497 -21.321 -0.214 1.00 60.06 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? 4.776 -19.925 0.305 1.00 59.36 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? 3.946 -19.033 0.192 1.00 58.68 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? 4.525 -21.287 -1.738 1.00 57.77 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? 5.877 -20.894 -2.282 1.00 58.78 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? 7.035 -21.500 -1.779 1.00 57.28 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? 6.009 -19.903 -3.250 1.00 57.03 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? 8.298 -21.131 -2.243 1.00 55.44 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? 7.267 -19.531 -3.721 1.00 55.68 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? 8.410 -20.138 -3.217 1.00 57.26 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? 5.953 -19.748 0.887 1.00 59.43 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? 6.350 -18.470 1.434 1.00 58.65 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? 7.508 -17.907 0.616 1.00 57.75 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? 8.586 -18.511 0.526 1.00 55.34 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? 6.743 -18.653 2.896 1.00 61.59 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? 5.587 -19.110 3.779 1.00 66.65 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? 5.994 -19.190 5.241 1.00 71.53 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? 4.839 -19.241 6.137 1.00 76.03 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? 4.053 -20.304 6.283 1.00 78.26 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? 4.298 -21.415 5.593 1.00 78.97 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? 3.011 -20.254 7.106 1.00 78.61 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? 7.270 -16.754 -0.004 1.00 56.96 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? 8.295 -16.106 -0.811 1.00 57.55 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? 9.422 -15.541 0.052 1.00 57.46 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? 10.526 -15.327 -0.444 1.00 60.16 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? 7.690 -14.990 -1.669 1.00 55.66 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? 7.035 -15.360 -3.002 1.00 52.95 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? 8.084 -15.818 -4.010 1.00 50.91 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? 5.995 -16.443 -2.760 1.00 51.80 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? 9.163 -15.293 1.332 1.00 55.85 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? 10.223 -14.796 2.198 1.00 57.11 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? 11.209 -15.939 2.486 1.00 57.84 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? 10.876 -16.908 3.183 1.00 57.79 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? 9.637 -14.263 3.505 1.00 58.79 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? 10.627 -13.619 4.293 1.00 60.07 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? 12.422 -15.826 1.952 1.00 57.80 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? 13.408 -16.871 2.170 1.00 58.14 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? 13.324 -17.976 1.129 1.00 58.82 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? 14.076 -18.954 1.182 1.00 59.28 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? 12.410 -17.829 0.177 1.00 57.91 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? 12.248 -18.817 -0.871 1.00 57.10 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? 13.523 -18.951 -1.694 1.00 59.01 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? 14.170 -17.965 -2.054 1.00 59.34 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? 11.080 -18.422 -1.781 1.00 55.94 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? 13.909 -20.182 -1.969 1.00 59.08 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? 15.074 -20.443 -2.789 1.00 58.24 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? 14.593 -21.565 -3.711 1.00 58.34 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? 13.501 -22.107 -3.509 1.00 56.13 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? 16.285 -20.842 -1.915 1.00 60.13 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? 16.076 -22.150 -1.130 1.00 62.75 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? 14.950 -22.685 -1.094 1.00 61.35 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? 17.062 -22.645 -0.535 1.00 65.23 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? 15.376 -21.917 -4.743 1.00 58.29 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? 14.933 -22.988 -5.648 1.00 58.68 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? 14.491 -24.272 -4.941 1.00 58.78 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? 13.586 -24.970 -5.414 1.00 59.66 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? 16.153 -23.204 -6.550 1.00 58.46 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? 16.751 -21.814 -6.639 1.00 57.09 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? 16.666 -21.346 -5.181 1.00 57.25 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? 15.120 -24.570 -3.809 1.00 59.59 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? 14.827 -25.780 -3.056 1.00 60.73 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? 13.420 -25.770 -2.474 1.00 59.18 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? 12.680 -26.727 -2.651 1.00 58.73 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? 15.888 -25.959 -1.954 1.00 64.96 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? 15.786 -27.213 -1.276 1.00 68.82 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? 13.050 -24.692 -1.789 1.00 56.11 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? 11.720 -24.600 -1.185 1.00 54.48 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? 10.594 -24.416 -2.211 1.00 53.53 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? 9.434 -24.738 -1.946 1.00 53.73 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? 11.681 -23.449 -0.186 1.00 55.20 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? 11.735 -22.206 -0.862 1.00 58.85 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? 10.921 -23.875 -3.376 1.00 51.67 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? 9.909 -23.708 -4.406 1.00 50.88 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? 9.628 -25.103 -4.968 1.00 51.89 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? 8.481 -25.469 -5.251 1.00 51.68 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? 10.422 -22.780 -5.503 1.00 47.76 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? 9.554 -22.767 -6.746 1.00 47.05 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? 8.279 -22.187 -6.737 1.00 42.87 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? 10.010 -23.339 -7.937 1.00 45.49 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? 7.489 -22.182 -7.882 1.00 42.74 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? 9.231 -23.332 -9.080 1.00 46.21 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? 7.967 -22.753 -9.044 1.00 46.25 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? 7.176 -22.761 -10.168 1.00 47.87 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? 10.703 -25.873 -5.134 1.00 53.85 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? 10.584 -27.232 -5.622 1.00 52.90 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? 9.753 -28.041 -4.643 1.00 52.58 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? 8.997 -28.924 -5.033 1.00 53.70 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? 9.876 -27.732 -3.361 1.00 52.74 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? 9.111 -28.440 -2.354 1.00 55.96 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? 7.632 -28.089 -2.447 1.00 55.87 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? 6.774 -28.932 -2.212 1.00 55.18 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? 9.651 -28.125 -0.963 1.00 61.42 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? 11.067 -28.616 -0.749 1.00 65.86 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? 11.416 -28.761 1.022 1.00 74.92 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? 12.110 -27.062 1.481 1.00 69.41 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? 7.344 -26.842 -2.808 1.00 54.21 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? 5.978 -26.375 -2.959 1.00 51.37 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? 5.316 -27.005 -4.183 1.00 52.57 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? 4.169 -27.445 -4.108 1.00 53.85 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? 5.967 -24.846 -3.070 1.00 51.05 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? 4.801 -24.288 -3.849 1.00 49.97 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? 3.504 -24.330 -3.336 1.00 48.89 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? 5.006 -23.707 -5.094 1.00 50.24 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? 2.433 -23.798 -4.051 1.00 49.04 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? 3.938 -23.173 -5.820 1.00 50.41 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? 2.652 -23.219 -5.295 1.00 50.44 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? 6.040 -27.064 -5.298 1.00 50.52 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? 5.506 -27.621 -6.540 1.00 52.00 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? 5.229 -29.114 -6.450 1.00 52.78 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? 4.320 -29.630 -7.107 1.00 51.87 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? 6.448 -27.314 -7.746 1.00 50.96 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? 6.362 -25.825 -8.083 1.00 53.85 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? 6.047 -28.114 -8.976 1.00 50.24 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? 4.938 -25.333 -8.389 1.00 50.15 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? 6.022 -29.779 -5.621 1.00 52.44 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? 5.895 -31.196 -5.355 1.00 53.22 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? 4.660 -31.430 -4.481 1.00 53.58 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? 3.871 -32.343 -4.741 1.00 53.95 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? 7.155 -31.682 -4.649 1.00 57.33 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? 7.024 -33.020 -3.933 1.00 63.21 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? 8.111 -33.141 -2.874 1.00 68.21 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? 8.111 -34.502 -2.194 1.00 71.71 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? 7.739 -34.418 -0.741 1.00 74.79 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? 4.496 -30.605 -3.449 1.00 53.34 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? 3.348 -30.700 -2.553 1.00 53.26 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? 2.081 -30.543 -3.370 1.00 54.25 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? 1.102 -31.256 -3.175 1.00 55.94 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? 3.379 -29.593 -1.493 1.00 55.52 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? 4.558 -29.706 -0.556 1.00 58.80 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? 5.144 -30.805 -0.473 1.00 61.68 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? 4.889 -28.704 0.117 1.00 61.85 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? 2.120 -29.584 -4.290 1.00 54.43 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? 0.998 -29.281 -5.165 1.00 52.46 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? 0.644 -30.450 -6.064 1.00 53.49 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -0.531 -30.777 -6.217 1.00 54.19 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? 1.320 -28.073 -6.025 1.00 48.36 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? 0.271 -27.620 -7.033 1.00 45.09 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -1.046 -27.311 -6.335 1.00 43.03 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? 0.815 -26.397 -7.741 1.00 46.05 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? 1.658 -31.070 -6.665 1.00 54.04 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? 1.438 -32.220 -7.532 1.00 53.64 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? 0.867 -33.358 -6.711 1.00 55.93 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -0.061 -34.034 -7.138 1.00 57.28 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? 2.746 -32.667 -8.163 1.00 51.12 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? 3.193 -31.832 -9.320 1.00 45.00 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? 4.658 -32.102 -9.580 1.00 43.72 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? 5.186 -31.427 -10.757 1.00 44.97 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? 6.467 -31.101 -10.902 1.00 47.09 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? 7.343 -31.387 -9.945 1.00 47.21 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? 6.886 -30.490 -12.002 1.00 48.23 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? 1.437 -33.551 -5.524 1.00 58.08 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? 1.024 -34.600 -4.590 1.00 58.73 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -0.340 -34.360 -3.974 1.00 58.05 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -0.917 -35.261 -3.378 1.00 59.98 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? 2.060 -34.751 -3.467 1.00 59.32 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? 3.313 -35.461 -3.930 1.00 62.13 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? 4.372 -35.364 -3.306 1.00 64.26 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? 3.197 -36.195 -5.039 1.00 63.63 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -0.865 -33.149 -4.100 1.00 57.39 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -2.173 -32.855 -3.529 1.00 54.17 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -3.267 -33.170 -4.539 1.00 52.20 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -4.429 -33.297 -4.165 1.00 51.46 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -2.253 -31.385 -3.086 1.00 52.14 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -2.906 -33.312 -5.811 1.00 53.30 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -3.902 -33.618 -6.850 1.00 55.10 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -4.138 -35.115 -6.870 1.00 56.69 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -3.201 -35.876 -7.071 1.00 57.40 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -3.393 -33.161 -8.212 1.00 55.46 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -2.974 -31.695 -8.203 1.00 54.80 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -2.362 -31.379 -9.541 1.00 55.88 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -4.180 -30.780 -7.895 1.00 51.52 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -5.395 -35.558 -6.682 1.00 57.97 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -5.730 -36.987 -6.660 1.00 59.24 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -5.772 -37.689 -8.004 1.00 60.42 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -6.165 -37.114 -9.013 1.00 59.23 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -7.103 -36.993 -6.003 1.00 59.12 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -7.742 -35.835 -6.681 1.00 58.65 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -6.629 -34.753 -6.610 1.00 57.73 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -5.378 -38.952 -8.002 1.00 64.08 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -5.403 -39.757 -9.215 1.00 67.68 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -5.478 -41.203 -8.770 1.00 68.72 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -5.031 -41.536 -7.668 1.00 69.85 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -4.120 -39.567 -10.019 1.00 68.80 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -2.917 -40.168 -9.370 1.00 70.14 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -2.140 -39.485 -8.455 1.00 71.03 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -2.368 -41.403 -9.488 1.00 69.42 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -1.160 -40.273 -8.044 1.00 71.99 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -1.277 -41.442 -8.656 1.00 70.64 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -6.055 -42.059 -9.605 1.00 70.48 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -6.114 -43.472 -9.289 1.00 71.10 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -5.146 -44.249 -10.190 1.00 71.28 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -4.400 -45.117 -9.705 1.00 71.14 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -7.540 -44.005 -9.420 1.00 71.55 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -8.190 -43.347 -10.513 1.00 74.53 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -8.330 -43.752 -8.134 1.00 72.43 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -5.125 -43.923 -11.485 1.00 70.72 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -4.236 -44.599 -12.423 1.00 70.35 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -3.039 -43.728 -12.766 1.00 67.97 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -2.912 -42.557 -12.382 1.00 66.29 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -4.904 -44.921 -13.773 1.00 71.72 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -6.284 -45.538 -13.822 1.00 77.15 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -6.723 -45.695 -15.288 1.00 80.89 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -7.936 -45.575 -15.601 1.00 82.76 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -5.824 -45.929 -16.141 1.00 81.72 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -2.163 -44.352 -13.533 1.00 65.18 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -0.983 -43.741 -14.064 1.00 62.56 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -0.992 -44.249 -15.487 1.00 61.99 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -1.463 -45.347 -15.759 1.00 61.89 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? 0.255 -44.194 -13.298 1.00 60.93 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? 0.478 -43.392 -12.056 1.00 61.26 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? 1.894 -43.545 -11.530 1.00 61.10 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? 2.044 -42.905 -10.145 1.00 62.08 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? 3.419 -43.062 -9.573 1.00 63.62 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -0.513 -43.444 -16.413 1.00 60.08 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -0.508 -43.850 -17.801 1.00 57.65 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? 0.941 -43.622 -18.169 1.00 57.46 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? 1.459 -42.521 -18.015 1.00 56.71 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -1.522 -42.966 -18.587 1.00 55.51 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -1.421 -43.202 -20.073 1.00 55.86 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -2.957 -43.269 -18.105 1.00 55.39 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? 1.620 -44.680 -18.591 1.00 59.05 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? 3.041 -44.583 -18.917 1.00 57.49 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? 3.813 -43.914 -17.788 1.00 56.95 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? 4.779 -43.187 -18.006 1.00 56.82 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? 3.242 -43.827 -20.220 1.00 57.21 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? 2.837 -44.637 -21.421 1.00 58.87 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? 3.548 -45.782 -21.776 1.00 60.70 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? 1.737 -44.275 -22.198 1.00 58.91 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? 3.174 -46.557 -22.885 1.00 59.91 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? 1.351 -45.038 -23.305 1.00 61.22 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? 2.067 -46.179 -23.643 1.00 60.15 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? 1.626 -46.948 -24.705 1.00 63.07 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? 3.337 -44.183 -16.577 1.00 58.11 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? 3.915 -43.719 -15.328 1.00 59.42 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? 3.681 -42.276 -14.875 1.00 59.99 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? 4.276 -41.820 -13.895 1.00 60.38 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? 5.399 -44.034 -15.334 1.00 63.12 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? 5.981 -44.003 -13.962 1.00 66.47 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? 5.404 -44.570 -13.021 1.00 67.14 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? 7.122 -43.344 -13.819 1.00 65.86 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? 2.779 -41.580 -15.554 1.00 59.72 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? 2.456 -40.200 -15.227 1.00 55.24 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? 1.058 -40.180 -14.622 1.00 54.61 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? 0.112 -40.658 -15.243 1.00 55.43 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? 2.464 -39.348 -16.500 1.00 54.92 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? 3.763 -39.596 -17.260 1.00 51.32 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? 2.310 -37.884 -16.148 1.00 55.63 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? 3.628 -39.418 -18.746 1.00 52.25 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? 0.909 -39.630 -13.403 1.00 54.33 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -0.403 -39.572 -12.746 1.00 54.43 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -1.513 -39.037 -13.661 1.00 56.34 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -1.358 -37.996 -14.286 1.00 55.75 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -0.153 -38.648 -11.557 1.00 52.68 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? 1.245 -38.943 -11.203 1.00 54.16 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? 1.941 -39.000 -12.560 1.00 54.14 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -2.628 -39.754 -13.729 1.00 58.65 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -3.765 -39.344 -14.549 1.00 60.07 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -4.796 -38.660 -13.661 1.00 61.43 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -5.257 -39.225 -12.663 1.00 61.77 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -4.423 -40.558 -15.219 1.00 61.50 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -5.605 -40.241 -16.144 1.00 62.62 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -5.056 -39.848 -17.503 1.00 63.13 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -6.530 -41.444 -16.283 1.00 63.45 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -5.175 -37.442 -14.022 1.00 61.57 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -6.161 -36.727 -13.227 1.00 60.69 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -7.551 -37.278 -13.487 1.00 61.38 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -7.879 -37.673 -14.611 1.00 60.15 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -6.107 -35.239 -13.529 1.00 59.49 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -4.802 -34.656 -12.999 1.00 56.77 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -4.477 -33.348 -13.709 1.00 55.51 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -4.924 -34.489 -11.494 1.00 52.63 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -8.348 -37.304 -12.419 1.00 61.29 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -9.698 -37.829 -12.444 1.00 62.68 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -10.583 -37.133 -13.466 1.00 64.06 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -10.339 -35.982 -13.839 1.00 61.65 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -10.316 -37.708 -11.055 1.00 63.62 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -9.461 -38.319 -9.931 1.00 66.05 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -10.223 -38.288 -8.605 1.00 64.31 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -9.094 -39.754 -10.287 1.00 65.49 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -11.619 -37.842 -13.952 1.00 65.98 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -12.557 -37.287 -14.932 1.00 65.97 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -13.324 -36.133 -14.294 1.00 67.12 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -13.571 -35.095 -14.918 1.00 67.55 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -13.435 -38.492 -15.275 1.00 64.44 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -12.446 -39.637 -15.157 1.00 64.65 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -11.816 -39.298 -13.821 1.00 63.82 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -13.679 -36.310 -13.032 1.00 68.35 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -14.387 -35.267 -12.312 1.00 71.76 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -14.376 -35.567 -10.825 1.00 72.47 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -13.876 -36.597 -10.382 1.00 72.25 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -15.838 -35.174 -12.782 1.00 72.94 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -16.584 -36.240 -12.215 1.00 77.35 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -14.928 -34.643 -10.055 1.00 75.65 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -15.022 -34.797 -8.610 1.00 77.41 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -16.265 -34.033 -8.182 1.00 79.88 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -16.759 -33.176 -8.925 1.00 80.43 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -13.770 -34.220 -7.902 1.00 77.49 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -13.958 -34.235 -6.388 1.00 74.74 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -12.535 -35.038 -8.281 1.00 76.47 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -16.799 -34.361 -7.012 1.00 82.55 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -17.987 -33.668 -6.529 1.00 83.68 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -17.782 -33.128 -5.124 1.00 83.82 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -17.200 -33.803 -4.261 1.00 83.61 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -19.208 -34.593 -6.551 1.00 83.83 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -19.650 -34.819 -7.884 1.00 84.86 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.258 -31.901 -4.910 1.00 84.39 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -18.146 -31.245 -3.616 1.00 83.88 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -16.930 -30.352 -3.487 1.00 83.22 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -16.281 -30.011 -4.481 1.00 84.50 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -16.628 -29.969 -2.249 1.00 81.33 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -15.474 -29.129 -1.958 1.00 79.07 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -14.210 -29.919 -2.236 1.00 77.50 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -13.101 -29.384 -2.123 1.00 76.66 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -15.491 -28.696 -0.518 1.00 79.09 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -14.387 -31.199 -2.583 1.00 75.00 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -13.264 -32.082 -2.871 1.00 70.31 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -12.688 -31.866 -4.257 1.00 68.84 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -11.592 -32.333 -4.601 1.00 67.59 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -13.447 -31.148 -5.072 1.00 67.12 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -13.017 -30.832 -6.415 1.00 65.91 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -12.015 -29.681 -6.400 1.00 64.68 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -11.391 -29.413 -7.414 1.00 65.35 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -14.227 -30.459 -7.285 1.00 67.04 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -13.884 -30.195 -8.736 1.00 67.91 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -15.063 -29.592 -9.488 1.00 71.88 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -14.806 -29.502 -10.925 1.00 75.50 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -14.859 -30.537 -11.764 1.00 76.21 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -15.168 -31.743 -11.311 1.00 77.50 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -14.599 -30.369 -13.058 1.00 76.70 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -11.829 -29.014 -5.262 1.00 62.34 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -10.923 -27.875 -5.223 1.00 59.93 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -9.806 -27.960 -4.193 1.00 61.20 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -9.987 -28.459 -3.084 1.00 60.98 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -11.723 -26.588 -5.012 1.00 59.10 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -12.898 -26.452 -5.966 1.00 58.40 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -12.706 -26.190 -7.333 1.00 55.61 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -14.209 -26.602 -5.498 1.00 55.76 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -13.792 -26.073 -8.191 1.00 56.13 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.291 -26.493 -6.351 1.00 56.06 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.077 -26.226 -7.685 1.00 56.41 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -16.161 -26.073 -8.503 1.00 60.91 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -8.631 -27.491 -4.600 1.00 60.96 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -7.461 -27.448 -3.730 1.00 61.77 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -7.195 -25.988 -3.368 1.00 61.11 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -7.313 -25.112 -4.226 1.00 60.94 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -6.251 -28.029 -4.459 1.00 62.50 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -4.881 -27.677 -3.890 1.00 63.25 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -4.725 -28.125 -2.435 1.00 65.33 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -3.870 -28.362 -4.762 1.00 63.80 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -6.830 -25.713 -2.123 1.00 59.72 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -6.587 -24.323 -1.739 1.00 61.53 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -5.107 -24.050 -1.471 1.00 62.21 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -4.521 -24.654 -0.579 1.00 63.06 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -7.405 -23.948 -0.486 1.00 61.46 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -8.940 -24.064 -0.551 1.00 62.66 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -9.565 -23.511 0.738 1.00 61.36 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -9.481 -23.300 -1.764 1.00 63.46 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -4.490 -23.155 -2.234 1.00 62.75 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -3.088 -22.859 -1.991 1.00 64.47 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -2.927 -21.536 -1.206 1.00 65.37 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -3.560 -20.525 -1.533 1.00 64.19 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -2.295 -22.749 -3.311 1.00 65.36 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -2.731 -23.598 -4.479 1.00 68.21 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -1.580 -23.270 -5.883 1.00 71.27 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -2.073 -21.623 -6.355 1.00 69.70 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -2.099 -21.563 -0.162 1.00 66.11 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -1.776 -20.374 0.616 1.00 66.06 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -0.485 -19.817 0.024 1.00 64.34 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? 0.530 -20.514 -0.043 1.00 62.66 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -1.504 -20.717 2.072 1.00 71.41 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -2.736 -20.976 2.877 1.00 78.60 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -3.261 -20.050 3.758 1.00 80.60 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -3.540 -22.064 2.953 1.00 81.55 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -4.332 -20.556 4.340 1.00 83.78 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -4.525 -21.779 3.868 1.00 84.96 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -0.513 -18.571 -0.431 1.00 62.28 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? 0.698 -17.969 -0.966 1.00 60.85 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? 1.016 -16.735 -0.135 1.00 60.67 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? 0.178 -15.839 0.018 1.00 60.54 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? 0.525 -17.612 -2.445 1.00 58.71 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? 0.312 -18.816 -3.371 1.00 58.42 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? 0.006 -18.318 -4.768 1.00 58.29 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? 1.548 -19.700 -3.393 1.00 57.68 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? 2.216 -16.702 0.431 1.00 60.93 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? 2.626 -15.573 1.253 1.00 62.08 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? 3.657 -14.765 0.473 1.00 61.25 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? 4.646 -15.330 0.016 1.00 57.87 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? 3.259 -16.055 2.573 1.00 61.80 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? 2.352 -16.914 3.420 1.00 64.01 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? 2.082 -18.223 3.053 1.00 63.78 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? 1.717 -16.391 4.550 1.00 66.73 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? 1.195 -18.997 3.778 1.00 66.04 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? 0.821 -17.165 5.292 1.00 66.84 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? 0.557 -18.468 4.898 1.00 67.58 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? 3.429 -13.461 0.292 1.00 61.04 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? 4.425 -12.656 -0.412 1.00 60.25 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? 5.549 -12.359 0.552 1.00 60.29 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? 5.437 -12.618 1.748 1.00 59.15 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? 3.859 -11.334 -0.951 1.00 58.71 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? 3.397 -10.366 0.149 1.00 59.33 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? 3.813 -10.434 1.307 1.00 57.28 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? 2.538 -9.435 -0.237 1.00 60.18 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? 6.630 -11.808 0.024 1.00 62.16 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? 7.792 -11.484 0.833 1.00 64.16 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? 7.460 -10.885 2.189 1.00 63.62 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? 8.046 -11.289 3.191 1.00 63.59 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? 8.721 -10.527 0.087 1.00 64.37 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? 10.051 -10.359 0.775 1.00 66.44 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? 11.065 -11.311 0.632 1.00 68.42 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? 10.294 -9.257 1.585 1.00 68.16 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? 12.297 -11.162 1.283 1.00 69.48 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? 11.518 -9.093 2.243 1.00 70.24 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? 12.510 -10.044 2.089 1.00 70.42 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? 13.702 -9.860 2.753 1.00 73.42 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? 6.526 -9.937 2.222 1.00 63.32 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? 6.155 -9.283 3.476 1.00 64.83 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? 5.255 -10.086 4.399 1.00 65.16 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? 4.973 -9.672 5.528 1.00 65.25 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? 5.503 -7.933 3.205 1.00 66.92 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? 6.489 -6.923 2.702 1.00 69.01 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? 7.546 -6.768 3.355 1.00 69.32 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? 6.217 -6.292 1.656 1.00 72.36 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? 4.806 -11.235 3.921 1.00 64.27 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? 3.947 -12.066 4.736 1.00 64.11 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? 2.458 -11.841 4.568 1.00 64.34 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? 1.678 -12.331 5.381 1.00 64.89 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? 2.041 -11.095 3.549 1.00 64.50 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? 0.607 -10.931 3.331 1.00 65.75 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? 0.164 -12.123 2.466 1.00 65.67 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? 0.925 -12.586 1.598 1.00 65.57 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? 0.305 -9.588 2.675 1.00 69.62 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? 0.645 -8.418 3.585 1.00 73.53 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? 0.588 -8.531 4.813 1.00 77.18 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? 0.993 -7.283 2.988 1.00 75.07 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -1.042 -12.637 2.687 1.00 64.74 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -1.457 -13.842 1.980 1.00 62.59 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -2.760 -13.864 1.186 1.00 59.39 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -3.704 -13.154 1.497 1.00 59.92 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -1.535 -15.019 2.999 1.00 62.42 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -1.700 -16.255 2.303 1.00 65.27 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -2.715 -14.806 3.952 1.00 62.09 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -2.774 -14.679 0.137 1.00 57.00 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -3.959 -14.919 -0.658 1.00 53.81 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -4.062 -16.430 -0.664 1.00 52.96 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -3.082 -17.137 -0.419 1.00 53.66 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -3.864 -14.413 -2.125 1.00 52.15 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -2.697 -15.075 -2.834 1.00 50.10 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -3.754 -12.916 -2.164 1.00 48.71 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -2.705 -14.864 -4.345 1.00 47.87 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -5.261 -16.929 -0.893 1.00 52.06 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -5.481 -18.351 -0.931 1.00 50.43 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -6.060 -18.515 -2.303 1.00 47.74 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -6.936 -17.758 -2.688 1.00 47.13 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -6.471 -18.769 0.168 1.00 50.64 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -5.925 -18.417 1.450 1.00 50.50 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -6.727 -20.268 0.129 1.00 47.64 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -5.536 -19.463 -3.066 1.00 45.67 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -5.991 -19.673 -4.438 1.00 43.91 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -6.704 -21.005 -4.585 1.00 42.93 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -6.266 -21.996 -4.028 1.00 45.16 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -4.780 -19.622 -5.424 1.00 40.21 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -5.224 -19.929 -6.828 1.00 39.48 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -4.112 -18.251 -5.376 1.00 35.33 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -7.796 -21.033 -5.337 1.00 43.02 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -8.570 -22.269 -5.527 1.00 45.23 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -8.268 -22.925 -6.869 1.00 43.02 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -8.423 -22.316 -7.926 1.00 43.53 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -10.112 -21.968 -5.405 1.00 44.62 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -7.841 -24.173 -6.818 1.00 44.93 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -7.501 -24.904 -8.035 1.00 48.20 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -8.406 -26.110 -8.230 1.00 48.37 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -8.612 -26.892 -7.299 1.00 49.09 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -6.034 -25.423 -7.991 1.00 48.46 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -5.642 -26.021 -9.332 1.00 46.49 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -5.094 -24.285 -7.590 1.00 45.50 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -8.959 -26.246 -9.432 1.00 50.66 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -9.798 -27.390 -9.763 1.00 49.47 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -8.792 -28.533 -9.906 1.00 50.44 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -7.952 -28.529 -10.805 1.00 48.73 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -10.528 -27.178 -11.094 1.00 51.41 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -11.440 -28.352 -11.458 1.00 54.23 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -11.156 -29.489 -11.022 1.00 57.08 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -12.431 -28.143 -12.189 1.00 54.20 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -8.885 -29.505 -9.012 1.00 49.78 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -7.961 -30.624 -9.021 1.00 52.81 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -8.048 -31.607 -10.181 1.00 53.78 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -7.295 -32.571 -10.194 1.00 56.71 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -8.062 -31.434 -7.720 1.00 51.20 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -7.839 -30.519 -6.533 1.00 49.31 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -9.411 -32.122 -7.641 1.00 50.62 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -8.936 -31.382 -11.148 1.00 55.01 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -9.048 -32.311 -12.276 1.00 55.36 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -8.394 -31.787 -13.544 1.00 56.40 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -8.198 -32.526 -14.507 1.00 56.48 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -10.527 -32.646 -12.593 1.00 55.70 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -11.150 -31.557 -13.291 1.00 53.07 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -11.281 -32.945 -11.310 1.00 55.78 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -8.031 -30.509 -13.527 1.00 57.46 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -7.427 -29.864 -14.686 1.00 57.37 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -6.415 -28.782 -14.287 1.00 55.24 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -5.790 -28.168 -15.144 1.00 54.40 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -8.535 -29.257 -15.560 1.00 59.02 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -9.325 -28.175 -14.833 1.00 60.99 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -8.998 -27.808 -13.698 1.00 63.82 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -10.357 -27.652 -15.485 1.00 60.32 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -6.266 -28.579 -12.980 1.00 55.60 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -5.346 -27.604 -12.384 1.00 54.89 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -5.594 -26.133 -12.757 1.00 55.52 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -4.665 -25.319 -12.737 1.00 54.31 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -3.839 -27.945 -12.705 1.00 55.09 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -2.950 -27.625 -11.496 1.00 50.08 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -3.683 -29.404 -13.084 1.00 54.10 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -6.838 -25.796 -13.090 1.00 57.57 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -7.192 -24.420 -13.428 1.00 58.95 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -7.459 -23.639 -12.153 1.00 57.64 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -8.013 -24.166 -11.191 1.00 56.49 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -8.456 -24.352 -14.314 1.00 62.63 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -8.290 -24.873 -15.724 1.00 69.07 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -9.393 -25.006 -16.568 1.00 72.17 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -7.046 -25.307 -16.190 1.00 71.35 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -9.262 -25.580 -17.850 1.00 76.44 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -6.899 -25.876 -17.458 1.00 74.66 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -8.007 -26.018 -18.280 1.00 77.47 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -7.875 -26.655 -19.503 1.00 81.59 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -7.051 -22.391 -12.140 1.00 57.58 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -7.343 -21.523 -11.032 1.00 56.28 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -8.745 -21.064 -11.281 1.00 55.53 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -9.065 -20.748 -12.396 1.00 54.33 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -6.384 -20.338 -11.033 1.00 56.52 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -5.018 -20.797 -10.573 1.00 59.38 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -6.873 -19.252 -10.118 1.00 54.90 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -3.894 -19.912 -11.017 1.00 60.45 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -9.596 -21.093 -10.264 1.00 54.37 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -10.981 -20.682 -10.468 1.00 55.86 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.284 -19.380 -9.756 1.00 54.39 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -12.226 -18.665 -10.103 1.00 53.54 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -11.940 -21.778 -10.006 1.00 60.15 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -11.775 -23.079 -10.774 1.00 63.35 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -12.628 -22.995 -12.346 1.00 67.95 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -11.355 -22.274 -13.436 1.00 67.38 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -10.460 -19.054 -8.773 1.00 50.48 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.653 -17.821 -8.048 1.00 46.03 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -9.681 -17.773 -6.904 1.00 45.75 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -8.916 -18.710 -6.699 1.00 45.48 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.697 -16.678 -6.162 1.00 44.46 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -8.808 -16.550 -5.030 1.00 45.15 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -9.445 -15.675 -3.967 1.00 46.80 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -10.429 -14.994 -4.218 1.00 44.41 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -7.444 -15.973 -5.458 1.00 41.39 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -7.528 -14.644 -6.169 1.00 38.87 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -7.847 -14.579 -7.526 1.00 35.55 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -7.358 -13.447 -5.470 1.00 37.47 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -8.000 -13.356 -8.171 1.00 35.99 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -7.518 -12.222 -6.102 1.00 39.54 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -7.843 -12.180 -7.451 1.00 39.12 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -8.056 -10.966 -8.044 1.00 39.69 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -8.876 -15.710 -2.771 1.00 48.86 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -9.376 -14.920 -1.662 1.00 52.50 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.305 -13.939 -1.251 1.00 53.35 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -7.144 -14.313 -1.151 1.00 53.85 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -9.708 -15.827 -0.477 1.00 52.88 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -10.065 -15.158 0.858 1.00 53.92 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -11.399 -14.420 0.750 1.00 52.81 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -10.139 -16.225 1.942 1.00 53.31 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -8.679 -12.686 -1.013 1.00 53.77 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -7.703 -11.677 -0.609 1.00 56.14 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -8.315 -10.868 0.515 1.00 58.48 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -9.097 -9.945 0.280 1.00 59.29 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -7.334 -10.769 -1.798 1.00 54.88 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -7.921 -11.219 1.733 1.00 61.05 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -8.425 -10.600 2.948 1.00 61.40 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -9.759 -10.682 3.670 1.00 60.42 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -9.832 -11.116 4.823 1.00 59.40 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -8.476 -9.082 2.809 1.00 65.29 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -7.902 -8.274 3.974 1.00 70.20 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -8.514 -8.750 5.301 1.00 71.21 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -6.373 -8.426 3.990 1.00 71.23 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -10.826 -10.296 2.988 1.00 59.10 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -12.199 -10.754 3.137 1.00 58.42 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -12.906 -10.732 1.790 1.00 55.99 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -14.107 -10.974 1.710 1.00 57.72 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -12.966 -9.884 4.137 1.00 57.35 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -12.890 -8.511 3.728 1.00 60.81 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -12.350 -10.028 5.517 1.00 57.32 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -12.164 -10.460 0.724 1.00 51.32 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -12.774 -10.414 -0.598 1.00 51.65 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -12.390 -11.597 -1.470 1.00 50.86 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -11.217 -11.951 -1.561 1.00 55.13 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -12.396 -9.128 -1.386 1.00 51.90 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -12.661 -7.964 -0.592 1.00 51.82 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -13.217 -9.039 -2.671 1.00 48.08 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -13.373 -12.206 -2.121 1.00 47.33 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -13.089 -13.329 -2.994 1.00 47.40 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -13.268 -12.863 -4.425 1.00 46.60 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -14.111 -12.021 -4.699 1.00 47.24 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -14.032 -14.502 -2.703 1.00 46.50 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -15.347 -14.225 -3.121 1.00 44.67 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -12.471 -13.403 -5.337 1.00 45.71 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -12.564 -13.027 -6.738 1.00 46.38 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -12.645 -14.303 -7.557 1.00 49.47 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -11.891 -15.235 -7.315 1.00 50.88 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -11.330 -12.218 -7.162 1.00 43.34 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -11.033 -11.008 -6.298 1.00 41.17 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -10.394 -11.144 -5.069 1.00 38.38 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -11.400 -9.726 -6.709 1.00 39.30 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -10.120 -10.038 -4.274 1.00 36.34 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -11.131 -8.612 -5.917 1.00 37.65 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -10.491 -8.776 -4.702 1.00 37.69 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -10.230 -7.669 -3.927 1.00 43.77 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -13.560 -14.345 -8.521 1.00 52.80 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -13.743 -15.514 -9.380 1.00 55.05 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -13.859 -15.035 -10.805 1.00 56.90 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -14.310 -13.928 -11.056 1.00 58.14 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -15.038 -16.263 -9.025 1.00 58.38 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -15.039 -16.867 -7.652 1.00 58.34 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -14.452 -18.108 -7.419 1.00 57.95 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -15.605 -16.184 -6.586 1.00 56.77 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -14.430 -18.658 -6.132 1.00 58.38 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -15.590 -16.727 -5.301 1.00 57.40 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -15.004 -17.965 -5.074 1.00 58.21 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -13.490 -15.892 -11.742 1.00 60.29 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -13.546 -15.535 -13.148 1.00 61.87 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -14.974 -15.504 -13.647 1.00 63.52 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -15.876 -16.061 -13.023 1.00 62.44 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -12.728 -16.536 -13.973 1.00 60.72 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -11.254 -16.508 -13.666 1.00 60.38 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -10.434 -15.506 -14.188 1.00 60.38 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.686 -17.475 -12.853 1.00 58.23 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -9.066 -15.470 -13.904 1.00 58.47 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -9.323 -17.448 -12.563 1.00 58.44 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -8.511 -16.440 -13.094 1.00 57.93 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -15.167 -14.824 -14.767 1.00 67.25 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -16.470 -14.728 -15.395 1.00 70.94 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -16.645 -16.070 -16.131 1.00 73.83 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -16.605 -16.101 -17.370 1.00 74.26 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -16.458 -13.572 -16.407 1.00 71.88 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -17.839 -12.995 -16.670 1.00 73.65 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -18.024 -12.199 -17.598 1.00 75.82 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -18.812 -13.372 -15.838 1.00 72.84 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -16.803 -17.165 -15.374 1.00 74.17 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -16.966 -18.500 -15.948 1.00 73.97 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -17.958 -19.364 -15.190 1.00 73.67 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -18.045 -19.323 -13.954 1.00 72.80 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -15.668 -19.287 -15.938 1.00 74.60 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -14.589 -18.814 -16.858 1.00 78.79 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -13.338 -19.640 -16.649 1.00 82.01 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -12.846 -19.686 -15.489 1.00 82.94 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -12.864 -20.261 -17.632 1.00 87.03 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -18.726 -20.182 -15.928 1.00 73.72 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -19.690 -21.087 -15.289 1.00 72.68 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -18.972 -21.968 -14.250 1.00 71.84 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -19.431 -22.130 -13.115 1.00 72.13 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -20.184 -21.907 -16.459 1.00 70.92 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -20.286 -20.890 -17.533 1.00 70.57 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -18.989 -20.098 -17.380 1.00 71.43 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -17.857 -22.556 -14.664 1.00 71.36 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -17.073 -23.409 -13.781 1.00 71.69 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -16.634 -22.613 -12.561 1.00 72.41 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -16.859 -23.023 -11.421 1.00 71.83 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -15.865 -23.948 -14.516 1.00 69.66 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -15.998 -21.471 -12.817 1.00 73.73 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -15.529 -20.586 -11.753 1.00 73.94 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -16.683 -20.275 -10.828 1.00 75.03 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -16.558 -20.378 -9.606 1.00 75.43 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -14.988 -19.302 -12.330 1.00 72.15 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -17.816 -19.904 -11.418 1.00 75.67 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -19.004 -19.590 -10.629 1.00 74.98 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -19.420 -20.744 -9.733 1.00 75.00 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -19.664 -20.556 -8.543 1.00 73.21 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -20.189 -19.219 -11.518 1.00 76.47 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -21.423 -18.876 -10.699 1.00 79.92 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -21.268 -18.138 -9.691 1.00 80.42 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -22.535 -19.338 -11.053 1.00 81.59 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -19.520 -21.931 -10.325 1.00 75.81 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -19.892 -23.146 -9.601 1.00 76.89 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -18.975 -23.326 -8.404 1.00 75.62 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -19.427 -23.650 -7.307 1.00 75.30 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -19.788 -24.368 -10.532 1.00 78.54 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -19.311 -25.718 -9.970 1.00 80.34 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -20.311 -26.255 -8.954 1.00 80.73 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -19.147 -26.705 -11.126 1.00 81.08 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -17.687 -23.091 -8.629 1.00 74.27 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -16.665 -23.216 -7.590 1.00 74.13 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -16.918 -22.324 -6.368 1.00 73.67 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -16.635 -22.717 -5.228 1.00 72.26 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -15.287 -22.898 -8.184 1.00 72.16 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -17.453 -21.127 -6.609 1.00 74.09 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -17.730 -20.177 -5.533 1.00 75.28 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -18.764 -20.723 -4.551 1.00 76.17 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -18.962 -20.170 -3.466 1.00 76.17 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -18.233 -18.851 -6.106 1.00 73.89 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -19.515 -19.020 -6.692 1.00 73.61 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -19.432 -21.804 -4.928 1.00 76.66 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -20.415 -22.393 -4.043 1.00 79.21 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -19.777 -23.241 -2.935 1.00 79.26 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -20.467 -23.670 -2.001 1.00 80.72 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -21.400 -23.248 -4.857 1.00 82.15 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -22.015 -22.513 -6.041 1.00 86.46 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -23.106 -23.316 -6.720 1.00 89.50 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -23.536 -24.353 -6.204 1.00 93.16 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -23.573 -22.835 -7.879 1.00 89.80 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -18.466 -23.457 -3.022 1.00 77.67 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -17.758 -24.303 -2.066 1.00 76.17 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -16.551 -23.681 -1.353 1.00 74.13 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -16.120 -24.185 -0.312 1.00 72.58 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -17.341 -25.599 -2.775 1.00 78.20 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -18.518 -26.399 -3.313 1.00 82.05 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -19.238 -27.273 -2.482 1.00 81.19 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -18.917 -26.282 -4.652 1.00 82.13 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -20.321 -28.013 -2.974 1.00 81.87 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -20.002 -27.018 -5.153 1.00 83.28 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -20.694 -27.882 -4.309 1.00 83.57 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -21.748 -28.631 -4.807 1.00 83.98 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -15.977 -22.617 -1.898 1.00 71.46 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -14.853 -22.012 -1.200 1.00 70.02 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -15.047 -20.536 -0.942 1.00 68.90 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -15.869 -19.875 -1.579 1.00 68.08 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -13.524 -22.201 -1.948 1.00 69.85 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -13.266 -23.687 -2.138 1.00 72.43 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -13.551 -21.463 -3.283 1.00 67.62 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -14.293 -20.035 0.027 1.00 67.10 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -14.352 -18.640 0.389 1.00 66.19 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -15.789 -18.204 0.633 1.00 68.71 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -16.197 -17.107 0.230 1.00 67.96 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -13.733 -17.788 -0.713 1.00 62.94 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -12.453 -18.341 -1.267 1.00 60.62 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -11.454 -18.827 -0.426 1.00 59.22 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -12.237 -18.357 -2.639 1.00 58.79 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -10.267 -19.311 -0.949 1.00 55.98 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -11.057 -18.836 -3.163 1.00 57.18 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -10.071 -19.316 -2.319 1.00 56.79 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -16.560 -19.079 1.271 1.00 70.28 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -17.945 -18.770 1.607 1.00 71.68 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -17.965 -17.661 2.679 1.00 70.56 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -18.843 -16.795 2.689 1.00 70.18 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -18.641 -20.026 2.143 1.00 73.95 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -18.925 -21.099 1.095 1.00 79.65 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -20.095 -20.676 0.229 1.00 84.03 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -21.210 -20.310 1.101 1.00 89.38 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -22.037 -21.187 1.661 1.00 90.96 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -23.012 -20.763 2.455 1.00 91.70 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -21.907 -22.483 1.396 1.00 91.69 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -16.974 -17.695 3.567 1.00 69.90 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -16.856 -16.720 4.656 1.00 69.64 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -16.263 -15.379 4.233 1.00 67.86 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -15.887 -14.550 5.079 1.00 67.69 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -16.013 -17.299 5.797 1.00 71.46 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -14.825 -17.880 5.285 1.00 73.75 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -16.166 -15.167 2.928 1.00 65.50 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -15.678 -13.905 2.421 1.00 63.54 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -16.742 -12.829 2.657 1.00 62.42 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -17.940 -13.069 2.468 1.00 59.57 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -15.380 -14.035 0.950 1.00 63.71 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -16.319 -11.648 3.096 1.00 62.42 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -17.280 -10.579 3.318 1.00 63.18 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? -18.025 -10.279 2.028 1.00 62.77 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? -19.254 -10.307 1.999 1.00 64.70 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? -16.603 -9.307 3.829 1.00 67.14 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? -16.377 -9.291 5.339 1.00 72.62 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? -16.703 -7.915 5.921 1.00 77.45 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? -18.030 -7.447 5.496 1.00 81.28 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? -18.484 -6.207 5.663 1.00 82.71 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? -17.723 -5.298 6.256 1.00 83.91 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? -19.687 -5.866 5.213 1.00 83.47 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -17.286 -9.989 0.961 1.00 60.61 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? -17.907 -9.713 -0.331 1.00 57.93 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -17.264 -10.598 -1.390 1.00 54.59 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -16.186 -11.141 -1.175 1.00 53.76 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? -17.755 -8.230 -0.724 1.00 57.90 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? -16.330 -7.805 -0.932 1.00 59.36 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? -16.229 -6.458 -1.640 1.00 59.81 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? -14.823 -6.067 -1.743 1.00 63.82 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? -14.356 -4.990 -2.369 1.00 63.61 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? -15.173 -4.142 -2.977 1.00 67.35 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? -13.052 -4.771 -2.392 1.00 62.46 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -17.940 -10.749 -2.521 1.00 51.85 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -17.433 -11.551 -3.616 1.00 48.59 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -17.473 -10.770 -4.915 1.00 47.81 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? -18.519 -10.278 -5.333 1.00 45.76 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -18.246 -12.835 -3.777 1.00 47.50 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -17.945 -13.552 -5.072 1.00 48.63 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -18.962 -14.623 -5.341 1.00 53.03 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -19.136 -14.813 -6.832 1.00 53.58 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -20.161 -15.851 -7.161 1.00 56.05 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -16.319 -10.670 -5.561 1.00 48.35 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -16.205 -9.951 -6.814 1.00 46.68 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -15.955 -10.928 -7.947 1.00 49.93 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -15.259 -11.921 -7.773 1.00 51.60 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -15.061 -8.905 -6.734 1.00 45.77 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? -15.444 -7.816 -5.727 1.00 43.11 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -14.776 -8.298 -8.100 1.00 43.98 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? -14.426 -6.696 -5.586 1.00 41.41 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -16.548 -10.648 -9.102 1.00 51.40 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -16.390 -11.490 -10.279 1.00 52.78 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -15.618 -10.663 -11.296 1.00 52.90 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -16.089 -9.609 -11.695 1.00 50.75 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -17.759 -11.864 -10.893 1.00 53.89 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -18.551 -12.590 -9.940 1.00 57.26 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -17.566 -12.688 -12.152 1.00 49.58 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -14.447 -11.133 -11.716 1.00 53.07 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -13.625 -10.397 -12.663 1.00 55.75 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -14.293 -10.326 -14.029 1.00 57.22 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -14.933 -11.286 -14.447 1.00 59.02 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -12.261 -11.073 -12.786 1.00 55.43 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -11.580 -11.222 -11.419 1.00 54.10 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -10.582 -12.351 -11.453 1.00 53.89 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -10.909 -9.907 -11.024 1.00 54.60 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -14.094 -9.252 -14.770 1.00 57.96 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -14.880 -9.063 -15.988 1.00 58.08 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -14.662 -10.241 -16.927 1.00 59.91 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -15.527 -10.559 -17.743 1.00 62.77 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? -14.285 -7.790 -16.590 1.00 55.09 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? -13.769 -7.032 -15.415 1.00 55.20 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -13.278 -8.069 -14.444 1.00 57.41 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -13.496 -10.863 -16.817 1.00 59.38 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -12.995 -11.793 -17.831 1.00 58.54 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -12.952 -13.248 -17.370 1.00 58.84 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -12.956 -13.533 -16.175 1.00 59.35 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -11.593 -11.352 -18.302 1.00 55.58 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -10.685 -10.961 -17.165 1.00 47.97 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -10.251 -11.908 -16.244 1.00 44.87 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -10.315 -9.629 -16.970 1.00 45.66 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -9.486 -11.539 -15.166 1.00 39.30 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -9.543 -9.256 -15.884 1.00 42.02 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -9.136 -10.213 -14.990 1.00 39.81 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -8.402 -9.834 -13.903 1.00 38.15 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -12.926 -14.163 -18.335 1.00 60.16 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -12.839 -15.588 -18.022 1.00 62.05 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -11.355 -15.887 -17.705 1.00 63.03 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -10.489 -15.013 -17.835 1.00 62.59 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -13.325 -16.433 -19.210 1.00 62.57 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -12.364 -16.443 -20.248 1.00 63.40 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -11.034 -17.107 -17.306 1.00 63.51 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -9.657 -17.369 -16.959 1.00 64.55 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -8.748 -18.025 -17.980 1.00 67.57 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -7.653 -18.461 -17.595 1.00 67.15 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -9.125 -18.125 -19.252 1.00 68.88 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -8.188 -18.782 -20.146 1.00 71.71 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -7.128 -17.781 -20.582 1.00 71.89 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -7.438 -16.652 -20.958 1.00 72.05 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -8.916 -19.405 -21.336 1.00 74.74 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -9.547 -18.388 -22.209 1.00 77.91 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -8.924 -17.884 -23.151 1.00 79.84 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -10.795 -18.045 -21.897 1.00 79.83 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -5.951 -18.254 -20.756 1.00 72.10 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -4.700 -17.541 -20.904 1.00 71.97 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -4.879 -16.466 -21.969 1.00 70.83 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -4.393 -15.373 -21.851 1.00 71.27 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -3.600 -18.568 -21.365 1.00 74.21 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -4.168 -19.916 -21.839 1.00 77.67 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -4.337 -20.947 -20.950 1.00 78.09 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -4.825 -19.988 -23.044 1.00 76.98 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -4.964 -22.104 -21.333 1.00 80.50 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -5.456 -21.129 -23.441 1.00 80.09 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -5.524 -22.183 -22.583 1.00 81.45 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -6.156 -23.314 -22.995 1.00 83.96 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -5.605 -16.792 -22.998 1.00 69.90 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -5.955 -15.943 -24.130 1.00 71.36 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -6.810 -14.718 -23.760 1.00 69.82 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -6.573 -13.619 -24.271 1.00 69.96 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -6.672 -16.783 -25.196 1.00 74.89 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -5.770 -17.367 -26.283 1.00 81.23 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -5.224 -16.302 -27.247 1.00 85.64 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -4.813 -16.678 -28.375 1.00 88.25 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -5.201 -15.096 -26.883 1.00 87.50 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -7.793 -14.906 -22.881 1.00 67.75 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -8.659 -13.811 -22.434 1.00 66.08 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -7.926 -12.906 -21.457 1.00 64.26 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -8.104 -11.688 -21.471 1.00 64.37 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -9.912 -14.354 -21.743 1.00 70.24 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -10.968 -14.880 -22.686 1.00 76.02 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -11.423 -13.764 -23.629 1.00 83.59 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -11.922 -14.285 -24.907 1.00 89.26 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -12.387 -13.525 -25.901 1.00 91.67 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -12.816 -14.102 -27.022 1.00 91.85 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -12.426 -12.195 -25.774 1.00 91.82 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -7.123 -13.524 -20.595 1.00 60.99 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -6.326 -12.813 -19.600 1.00 57.59 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -5.262 -11.979 -20.291 1.00 57.68 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -4.891 -10.915 -19.808 1.00 58.69 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -5.645 -13.804 -18.647 1.00 56.89 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -6.506 -14.584 -17.649 1.00 55.86 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -5.656 -15.642 -16.940 1.00 52.54 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -7.116 -13.607 -16.643 1.00 54.32 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -4.752 -12.479 -21.412 1.00 58.57 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -3.732 -11.749 -22.166 1.00 59.58 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -4.302 -10.456 -22.716 1.00 58.45 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -3.600 -9.454 -22.798 1.00 57.83 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -3.173 -12.597 -23.308 1.00 59.52 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -2.221 -13.669 -22.835 1.00 61.75 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -1.521 -14.382 -23.970 1.00 64.76 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -0.670 -15.247 -23.737 1.00 65.82 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -1.865 -14.023 -25.207 1.00 67.78 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -5.581 -10.474 -23.083 1.00 58.48 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -6.244 -9.269 -23.598 1.00 57.99 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -6.465 -8.281 -22.456 1.00 59.01 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -6.101 -7.099 -22.545 1.00 59.76 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -7.631 -9.581 -24.212 1.00 57.87 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -7.501 -10.648 -25.309 1.00 56.15 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -8.241 -8.301 -24.782 1.00 56.14 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -8.808 -10.981 -26.052 1.00 55.05 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -7.067 -8.782 -21.383 1.00 57.28 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -7.347 -7.970 -20.206 1.00 57.63 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -6.086 -7.293 -19.692 1.00 56.78 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -6.127 -6.150 -19.246 1.00 57.69 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -7.960 -8.832 -19.103 1.00 56.11 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.966 -8.003 -19.772 1.00 57.74 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -3.669 -7.506 -19.310 1.00 58.97 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -3.043 -6.497 -20.278 1.00 58.74 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -2.248 -5.651 -19.868 1.00 59.69 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -2.709 -8.682 -19.091 1.00 54.90 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -3.403 -6.594 -21.555 1.00 59.14 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -2.866 -5.685 -22.558 1.00 60.25 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -1.519 -6.145 -23.105 1.00 62.21 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -0.731 -5.363 -23.651 1.00 61.43 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -1.245 -7.434 -22.968 1.00 62.61 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? 0.009 -7.967 -23.459 1.00 62.58 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? 0.100 -9.498 -23.429 1.00 60.87 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -0.417 -10.159 -22.524 1.00 56.26 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? 1.173 -7.335 -22.690 1.00 62.62 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? 1.073 -7.447 -21.180 1.00 66.74 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? 1.934 -6.387 -20.485 1.00 69.59 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? 3.314 -6.261 -21.133 1.00 72.04 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? 4.165 -5.234 -20.447 1.00 75.62 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? 0.755 -10.076 -24.444 1.00 61.04 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? 0.918 -11.527 -24.541 1.00 62.88 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? 1.896 -11.919 -23.435 1.00 62.00 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? 2.682 -11.082 -22.992 1.00 62.47 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? 1.495 -11.706 -25.946 1.00 62.18 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? 2.372 -10.499 -26.085 1.00 60.61 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? 1.532 -9.378 -25.488 1.00 61.75 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? 1.846 -13.162 -22.971 1.00 61.60 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? 2.743 -13.577 -21.899 1.00 61.61 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? 4.175 -13.775 -22.363 1.00 62.12 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? 5.057 -14.088 -21.562 1.00 62.27 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? 2.222 -14.838 -21.201 1.00 59.82 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? 1.827 -15.995 -22.092 1.00 57.36 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? 0.757 -16.793 -21.364 1.00 56.13 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? 0.738 -18.214 -21.703 1.00 58.87 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? 0.308 -18.729 -22.849 1.00 60.29 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -0.156 -17.940 -23.806 1.00 61.58 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? 0.346 -20.042 -23.030 1.00 62.22 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? 4.416 -13.599 -23.658 1.00 62.49 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? 5.778 -13.718 -24.180 1.00 62.98 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? 6.556 -12.468 -23.722 1.00 62.23 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? 7.777 -12.392 -23.854 1.00 62.13 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? 5.775 -13.778 -25.714 1.00 63.12 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? 5.327 -15.102 -26.328 1.00 69.51 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? 3.825 -15.172 -26.607 1.00 72.73 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? 3.126 -14.150 -26.399 1.00 76.37 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? 3.334 -16.243 -27.042 1.00 73.41 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? 5.821 -11.494 -23.181 1.00 61.68 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? 6.394 -10.226 -22.720 1.00 60.63 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? 6.208 -9.984 -21.237 1.00 57.50 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? 6.527 -8.911 -20.746 1.00 60.33 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? 5.760 -9.054 -23.472 1.00 63.50 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? 5.711 -9.251 -24.961 1.00 67.76 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? 6.462 -8.153 -25.676 1.00 72.37 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? 5.585 -7.546 -26.767 1.00 75.87 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? 6.221 -7.678 -28.112 1.00 80.24 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? 5.658 -10.959 -20.528 1.00 52.92 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? 5.455 -10.825 -19.095 1.00 49.66 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? 6.533 -11.619 -18.364 1.00 49.41 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? 6.524 -12.847 -18.368 1.00 51.68 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? 4.067 -11.343 -18.673 1.00 48.68 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? 2.986 -10.555 -19.407 1.00 47.92 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? 3.889 -11.212 -17.171 1.00 45.78 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? 1.577 -10.921 -19.004 1.00 46.19 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? 7.486 -10.927 -17.736 1.00 47.34 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? 8.550 -11.623 -17.013 1.00 47.44 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? 8.031 -12.467 -15.862 1.00 48.26 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? 7.253 -11.986 -15.045 1.00 52.35 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? 9.437 -10.475 -16.540 1.00 46.85 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? 9.253 -9.462 -17.656 1.00 45.90 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? 7.752 -9.482 -17.778 1.00 45.29 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? 8.442 -13.729 -15.801 1.00 46.46 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? 7.997 -14.585 -14.712 1.00 41.99 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? 9.193 -15.024 -13.886 1.00 44.42 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? 10.350 -14.854 -14.290 1.00 44.56 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? 7.224 -15.832 -15.215 1.00 38.50 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? 8.138 -16.744 -16.036 1.00 34.53 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? 6.022 -15.396 -16.022 1.00 38.43 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? 7.452 -17.985 -16.580 1.00 32.48 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? 8.898 -15.577 -12.720 1.00 44.77 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? 9.934 -16.018 -11.819 1.00 44.36 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? 9.406 -15.839 -10.411 1.00 44.54 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? 8.237 -15.497 -10.221 1.00 44.83 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? 10.242 -16.063 -9.413 1.00 43.43 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? 9.777 -15.887 -8.054 1.00 45.30 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? 9.559 -14.419 -7.694 1.00 45.09 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? 8.630 -14.094 -6.957 1.00 47.82 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? 10.742 -16.546 -7.072 1.00 43.86 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? 10.832 -18.054 -7.273 1.00 43.15 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? 11.725 -18.667 -6.206 1.00 44.75 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? 9.433 -18.652 -7.230 1.00 40.03 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? 10.406 -13.508 -8.202 1.00 45.56 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? 10.140 -12.108 -7.849 1.00 45.57 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? 8.800 -11.653 -8.428 1.00 44.69 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? 8.047 -10.904 -7.807 1.00 45.60 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? 11.324 -11.366 -8.485 1.00 44.29 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? 12.451 -12.365 -8.328 1.00 43.09 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? 11.750 -13.634 -8.809 1.00 44.73 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? 8.525 -12.134 -9.631 1.00 43.84 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? 7.311 -11.804 -10.342 1.00 43.53 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? 6.119 -12.409 -9.626 1.00 44.22 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? 5.028 -11.843 -9.646 1.00 43.18 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? 7.395 -12.314 -11.773 1.00 38.97 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? 6.324 -13.558 -8.987 1.00 46.41 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? 5.243 -14.220 -8.278 1.00 48.03 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? 4.927 -13.415 -7.031 1.00 48.15 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? 3.767 -13.229 -6.674 1.00 48.57 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? 5.631 -15.661 -7.905 1.00 47.59 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? 4.597 -16.333 -6.985 1.00 46.63 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? 3.259 -16.404 -7.696 1.00 39.17 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? 5.077 -17.713 -6.569 1.00 43.68 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? 5.982 -12.933 -6.383 1.00 49.54 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? 5.864 -12.115 -5.187 1.00 47.49 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? 5.092 -10.826 -5.532 1.00 45.89 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? 4.272 -10.355 -4.744 1.00 45.47 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? 7.256 -11.782 -4.645 1.00 49.24 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? 7.211 -10.866 -3.434 1.00 51.73 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? 6.524 -11.194 -2.455 1.00 52.44 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? 7.866 -9.809 -3.454 1.00 54.36 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? 5.351 -10.261 -6.707 1.00 43.42 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? 4.648 -9.058 -7.129 1.00 42.75 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? 3.198 -9.367 -7.442 1.00 42.82 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? 2.305 -8.609 -7.068 1.00 42.65 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? 5.287 -8.434 -8.373 1.00 44.66 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? 6.507 -7.791 -7.994 1.00 54.85 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? 4.359 -7.390 -9.001 1.00 48.51 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? 2.981 -10.482 -8.140 1.00 42.92 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? 1.654 -10.927 -8.516 1.00 41.87 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? 0.776 -11.038 -7.281 1.00 42.28 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -0.352 -10.580 -7.279 1.00 43.84 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? 1.740 -12.267 -9.213 1.00 41.67 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? 1.298 -11.652 -6.231 1.00 43.53 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? 0.552 -11.814 -4.999 1.00 43.51 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? 0.110 -10.452 -4.469 1.00 46.36 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -1.062 -10.260 -4.107 1.00 45.17 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? 1.402 -12.530 -3.931 1.00 40.95 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? 1.648 -13.975 -4.361 1.00 42.49 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? 0.716 -12.466 -2.586 1.00 39.22 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? 2.586 -14.744 -3.450 1.00 41.70 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? 1.049 -9.506 -4.439 1.00 46.32 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? 0.775 -8.158 -3.951 1.00 48.90 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -0.283 -7.455 -4.793 1.00 49.61 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -1.131 -6.725 -4.265 1.00 50.11 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? 2.051 -7.309 -3.958 1.00 47.63 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? 2.986 -7.792 -3.020 1.00 51.98 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -0.241 -7.679 -6.101 1.00 48.16 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -1.177 -7.029 -6.991 1.00 49.07 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -2.616 -7.480 -6.797 1.00 52.04 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -3.544 -6.693 -6.981 1.00 54.24 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -0.764 -7.230 -8.467 1.00 48.27 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? 0.506 -6.598 -8.688 1.00 50.03 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -1.811 -6.638 -9.405 1.00 42.64 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -2.798 -8.740 -6.421 1.00 51.92 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -4.124 -9.300 -6.235 1.00 53.28 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -4.729 -8.960 -4.881 1.00 55.51 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.943 -9.101 -4.700 1.00 53.92 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -4.077 -10.808 -6.402 1.00 50.08 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -3.601 -11.217 -7.786 1.00 50.25 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -3.273 -12.696 -7.817 1.00 52.74 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -4.669 -10.866 -8.795 1.00 49.59 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -3.899 -8.516 -3.936 1.00 58.37 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -4.388 -8.147 -2.604 1.00 61.37 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -5.269 -6.911 -2.710 1.00 65.16 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -6.275 -6.766 -2.011 1.00 65.95 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -3.214 -7.856 -1.659 1.00 57.82 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -2.381 -9.071 -1.205 1.00 57.58 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -1.178 -8.602 -0.415 1.00 58.22 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -3.232 -10.022 -0.364 1.00 54.37 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -4.857 -6.004 -3.580 1.00 67.76 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -5.589 -4.777 -3.783 1.00 71.47 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -6.060 -4.709 -5.213 1.00 70.36 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -5.283 -4.487 -6.145 1.00 70.22 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -4.715 -3.573 -3.411 1.00 79.81 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -4.513 -3.433 -1.935 1.00 87.94 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -3.285 -3.597 -1.324 1.00 90.66 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -5.413 -3.270 -0.934 1.00 91.42 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -3.442 -3.550 -0.011 1.00 93.42 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -4.725 -3.354 0.250 1.00 93.83 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -7.362 -4.918 -5.356 1.00 68.97 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -8.050 -4.921 -6.639 1.00 67.24 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? -7.683 -3.825 -7.630 1.00 65.85 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? -7.508 -2.658 -7.284 1.00 67.44 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? -9.563 -4.891 -6.432 1.00 65.15 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? -10.354 -5.154 -7.694 1.00 61.77 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -10.152 -6.333 -8.426 1.00 60.32 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? -11.322 -4.247 -8.150 1.00 58.74 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -10.897 -6.602 -9.570 1.00 59.25 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? -12.068 -4.513 -9.304 1.00 56.88 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? -11.847 -5.688 -9.998 1.00 55.50 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? -12.569 -5.957 -11.121 1.00 52.67 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -7.619 -4.257 -8.885 1.00 63.50 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? -7.309 -3.483 -10.079 1.00 60.03 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -7.646 -4.837 -10.702 1.00 58.38 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -7.206 -5.877 -10.199 1.00 55.13 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? -5.928 -2.858 -9.963 1.00 63.02 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? -5.435 -2.272 -11.274 1.00 67.06 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? -6.151 -2.393 -12.290 1.00 68.20 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? -4.327 -1.693 -11.299 1.00 71.29 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? -8.441 -4.812 -11.780 1.00 56.55 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -8.636 -5.896 -12.749 1.00 54.23 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -7.693 -5.976 -13.944 1.00 52.84 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -7.523 -7.063 -14.505 1.00 51.44 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? -10.067 -5.899 -13.240 1.00 51.48 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? -10.309 -4.727 -13.971 1.00 54.60 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -7.078 -4.865 -14.354 1.00 52.65 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -6.133 -4.968 -15.477 1.00 50.37 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -4.826 -5.503 -14.938 1.00 48.00 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -4.184 -6.325 -15.568 1.00 49.82 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? -5.887 -3.621 -16.207 1.00 50.30 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? -7.002 -3.338 -17.055 1.00 54.62 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -4.635 -3.701 -17.103 1.00 48.14 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -4.455 -5.024 -13.761 1.00 45.83 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -3.253 -5.461 -13.097 1.00 46.16 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -3.420 -6.952 -12.787 1.00 47.16 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -2.537 -7.758 -13.058 1.00 50.71 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -3.069 -4.665 -11.806 1.00 43.97 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -4.580 -7.308 -12.235 1.00 47.73 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -4.907 -8.683 -11.850 1.00 45.11 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -4.806 -9.695 -12.996 1.00 43.85 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -4.345 -10.817 -12.798 1.00 42.79 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -6.311 -8.712 -11.233 1.00 43.75 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.234 -9.296 -14.189 1.00 43.76 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -5.172 -10.166 -15.348 1.00 44.17 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -3.711 -10.547 -15.591 1.00 46.16 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -3.409 -11.714 -15.862 1.00 45.64 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.759 -9.457 -16.579 1.00 45.74 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -2.812 -9.567 -15.454 1.00 44.73 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -1.400 -9.814 -15.656 1.00 44.96 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -0.849 -10.653 -14.528 1.00 46.86 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -0.092 -11.583 -14.782 1.00 49.78 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -1.206 -10.340 -13.285 1.00 46.07 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -0.714 -11.123 -12.148 1.00 45.18 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -1.188 -12.591 -12.157 1.00 42.87 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -0.519 -13.471 -11.618 1.00 42.90 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -1.121 -10.440 -10.804 1.00 44.40 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -2.349 -12.846 -12.749 1.00 41.36 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -2.879 -14.204 -12.797 1.00 41.46 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -2.120 -15.058 -13.806 1.00 39.83 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -1.904 -16.250 -13.581 1.00 40.33 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -4.374 -14.177 -13.111 1.00 38.51 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -5.203 -13.646 -11.941 1.00 39.04 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -6.639 -13.442 -12.361 1.00 41.09 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -5.116 -14.600 -10.780 1.00 36.09 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -1.704 -14.433 -14.907 1.00 40.67 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -0.920 -15.107 -15.936 1.00 38.16 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? 0.431 -15.535 -15.363 1.00 39.31 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? 0.988 -16.551 -15.769 1.00 40.38 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -0.682 -14.181 -17.130 1.00 35.67 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -1.822 -14.040 -18.150 1.00 38.70 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -1.467 -12.975 -19.171 1.00 34.26 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -2.076 -15.378 -18.846 1.00 35.69 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? 0.962 -14.732 -14.444 1.00 38.69 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? 2.239 -15.006 -13.788 1.00 38.21 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? 2.027 -16.108 -12.753 1.00 41.29 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? 2.818 -17.035 -12.646 1.00 40.48 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? 2.778 -13.738 -13.059 1.00 40.50 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? 3.902 -14.102 -12.075 1.00 36.62 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? 3.281 -12.739 -14.066 1.00 39.20 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? 0.943 -15.995 -11.996 1.00 43.56 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? 0.595 -16.971 -10.969 1.00 44.92 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? 0.329 -18.359 -11.593 1.00 44.86 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? 0.764 -19.381 -11.066 1.00 42.80 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -0.640 -16.478 -10.215 1.00 46.46 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -1.259 -17.312 -9.096 1.00 47.84 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -0.320 -17.377 -7.911 1.00 51.49 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -2.580 -16.689 -8.699 1.00 48.69 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -0.381 -18.386 -12.718 1.00 43.60 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -0.693 -19.641 -13.406 1.00 44.02 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 0.556 -20.334 -13.901 1.00 44.84 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 0.661 -21.561 -13.840 1.00 45.57 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -1.616 -19.418 -14.635 1.00 42.74 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -3.033 -19.096 -14.162 1.00 42.17 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -1.582 -20.643 -15.558 1.00 39.94 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -3.935 -18.617 -15.275 1.00 42.78 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? 1.497 -19.540 -14.403 1.00 43.33 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? 2.726 -20.088 -14.931 1.00 42.89 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? 3.702 -20.531 -13.859 1.00 44.16 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? 4.430 -21.502 -14.054 1.00 45.83 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? 3.376 -19.080 -15.867 1.00 44.48 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? 2.655 -19.008 -17.183 1.00 46.81 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? 3.230 -17.976 -18.091 1.00 46.57 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? 3.156 -16.786 -17.804 1.00 49.04 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? 3.813 -18.415 -19.194 1.00 46.90 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? 3.692 -19.841 -12.725 1.00 42.38 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? 4.595 -20.169 -11.641 1.00 42.43 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? 4.024 -21.227 -10.687 1.00 45.35 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? 4.690 -21.634 -9.736 1.00 47.13 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? 5.017 -18.884 -10.849 1.00 41.70 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? 3.866 -18.231 -10.319 1.00 40.20 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? 5.740 -17.899 -11.761 1.00 41.65 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? 2.794 -21.666 -10.940 1.00 46.31 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? 2.180 -22.706 -10.124 1.00 46.44 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? 1.628 -23.849 -10.996 1.00 48.59 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? 2.288 -24.876 -11.163 1.00 50.40 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? 1.047 -22.148 -9.234 1.00 44.79 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? 0.004 -21.620 -10.060 1.00 44.57 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? 1.589 -21.061 -8.316 1.00 44.05 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? 0.426 -23.673 -11.539 1.00 47.85 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -0.207 -24.695 -12.361 1.00 49.50 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? 0.716 -25.263 -13.437 1.00 51.92 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? 0.955 -26.460 -13.470 1.00 53.81 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -1.490 -24.140 -12.988 1.00 49.64 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? 1.260 -24.404 -14.294 1.00 54.09 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? 2.156 -24.831 -15.373 1.00 52.33 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? 3.455 -25.489 -14.885 1.00 50.67 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? 3.994 -26.372 -15.554 1.00 50.84 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? 2.479 -23.632 -16.271 1.00 54.54 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? 1.244 -22.981 -16.890 1.00 56.63 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? 0.555 -23.890 -17.884 1.00 58.00 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? 0.828 -25.113 -17.857 1.00 57.37 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -0.254 -23.382 -18.690 1.00 56.51 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? 3.969 -25.055 -13.738 1.00 48.92 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? 5.187 -25.659 -13.192 1.00 46.80 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? 4.866 -27.084 -12.748 1.00 44.67 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? 5.664 -28.006 -12.922 1.00 41.73 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? 5.705 -24.844 -11.996 1.00 47.15 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? 3.689 -27.241 -12.151 1.00 43.82 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? 3.233 -28.533 -11.678 1.00 44.68 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? 3.111 -29.543 -12.823 1.00 44.21 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? 3.558 -30.668 -12.703 1.00 46.10 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? 1.899 -28.372 -10.972 1.00 44.28 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? 2.512 -29.114 -13.928 1.00 42.54 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? 2.295 -29.930 -15.119 1.00 44.25 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? 3.559 -30.310 -15.872 1.00 46.04 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? 3.589 -31.340 -16.535 1.00 47.31 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? 1.386 -29.195 -16.101 1.00 45.26 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? 0.053 -28.807 -15.548 1.00 45.93 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -0.714 -28.002 -16.561 1.00 48.60 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -2.059 -27.737 -16.084 1.00 54.11 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -2.741 -26.634 -16.355 1.00 55.41 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -2.195 -25.685 -17.103 1.00 57.21 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -3.968 -26.486 -15.877 1.00 55.15 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? 4.587 -29.473 -15.811 1.00 44.95 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? 5.825 -29.740 -16.535 1.00 46.22 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? 7.040 -29.484 -15.675 1.00 48.25 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? 7.168 -28.420 -15.067 1.00 48.18 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? 5.948 -28.847 -17.770 1.00 47.79 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? 4.879 -29.058 -18.802 1.00 50.11 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? 4.994 -30.063 -19.765 1.00 51.22 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? 3.771 -28.223 -18.837 1.00 50.55 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? 4.018 -30.217 -20.743 1.00 49.36 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? 2.802 -28.370 -19.802 1.00 48.47 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? 2.920 -29.365 -20.757 1.00 50.67 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? 7.952 -30.449 -15.670 1.00 49.96 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? 9.179 -30.346 -14.902 1.00 52.97 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? 10.090 -29.258 -15.444 1.00 52.37 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? 10.689 -28.522 -14.684 1.00 51.75 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? 9.923 -31.680 -14.905 1.00 58.17 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? 10.399 -32.069 -13.524 1.00 65.51 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? 11.639 -32.913 -13.547 1.00 71.61 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? 12.165 -33.060 -12.129 1.00 75.64 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? 13.605 -33.436 -12.113 1.00 77.49 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? 10.185 -29.170 -16.764 1.00 53.48 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? 11.005 -28.160 -17.428 1.00 54.97 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? 10.601 -26.744 -16.978 1.00 54.43 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? 11.453 -25.873 -16.757 1.00 55.73 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? 10.869 -28.311 -18.962 1.00 58.57 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? 11.531 -27.217 -19.787 1.00 63.55 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? 12.859 -27.334 -20.215 1.00 66.06 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? 10.836 -26.039 -20.104 1.00 65.86 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? 13.482 -26.298 -20.938 1.00 68.32 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? 11.446 -25.007 -20.815 1.00 67.19 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? 12.768 -25.140 -21.230 1.00 68.62 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? 13.356 -24.113 -21.937 1.00 69.13 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? 9.301 -26.514 -16.847 1.00 51.13 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? 8.808 -25.212 -16.425 1.00 50.96 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? 9.126 -24.957 -14.948 1.00 52.24 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? 9.497 -23.836 -14.579 1.00 52.43 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? 7.290 -25.084 -16.694 1.00 50.09 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? 7.054 -25.066 -18.207 1.00 47.10 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? 6.716 -23.859 -15.975 1.00 45.31 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? 5.616 -24.899 -18.617 1.00 44.41 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? 8.995 -25.975 -14.100 1.00 51.29 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? 9.345 -25.803 -12.689 1.00 49.53 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? 10.818 -25.390 -12.623 1.00 47.70 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? 11.229 -24.610 -11.774 1.00 48.17 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? 9.136 -27.109 -11.899 1.00 49.79 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? 9.923 -27.180 -10.579 1.00 49.69 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? 9.846 -28.541 -9.902 1.00 51.47 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? 9.447 -29.533 -10.562 1.00 49.98 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? 10.198 -28.624 -8.706 1.00 54.55 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? 11.602 -25.947 -13.537 1.00 47.98 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? 13.026 -25.663 -13.623 1.00 51.78 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? 13.266 -24.251 -14.097 1.00 50.15 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? 14.082 -23.547 -13.515 1.00 49.92 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? 13.716 -26.651 -14.553 1.00 55.37 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? 13.904 -28.010 -13.914 1.00 62.49 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? 14.369 -29.058 -14.895 1.00 67.55 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? 14.154 -28.946 -16.113 1.00 71.62 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? 14.999 -30.100 -14.373 1.00 68.31 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? 12.562 -23.833 -15.147 1.00 49.76 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? 12.675 -22.462 -15.640 1.00 47.38 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? 12.457 -21.472 -14.502 1.00 45.23 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? 13.174 -20.491 -14.368 1.00 44.21 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? 11.635 -22.192 -16.721 1.00 49.68 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? 11.999 -22.729 -18.057 1.00 54.43 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? 13.283 -22.107 -18.597 1.00 59.99 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? 14.396 -22.392 -18.124 1.00 60.42 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? 13.131 -21.244 -19.594 1.00 62.17 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? 11.447 -21.739 -13.688 1.00 45.18 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? 11.131 -20.871 -12.575 1.00 46.74 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? 12.197 -20.929 -11.510 1.00 48.39 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? 12.428 -19.944 -10.814 1.00 47.22 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? 9.772 -21.224 -11.963 1.00 46.22 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? 8.694 -21.135 -13.045 1.00 47.47 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? 9.472 -20.303 -10.791 1.00 44.20 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? 8.792 -19.884 -13.934 1.00 46.28 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? 12.853 -22.077 -11.377 1.00 50.15 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? 13.922 -22.175 -10.395 1.00 52.05 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? 15.119 -21.358 -10.845 1.00 51.97 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? 15.856 -20.831 -10.018 1.00 51.82 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? 14.330 -23.627 -10.161 1.00 53.29 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? 13.382 -24.361 -9.223 1.00 54.36 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? 13.629 -25.847 -9.173 1.00 54.46 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? 14.003 -26.449 -10.173 1.00 53.84 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? 13.403 -26.452 -8.008 1.00 55.67 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? 15.311 -21.252 -12.155 1.00 52.49 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? 16.402 -20.458 -12.707 1.00 55.73 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? 16.106 -18.974 -12.493 1.00 54.54 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? 17.013 -18.165 -12.411 1.00 54.24 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? 16.556 -20.733 -14.202 1.00 59.66 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? 17.284 -22.017 -14.540 1.00 68.93 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? 17.204 -22.364 -16.033 1.00 74.87 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? 17.693 -23.451 -16.445 1.00 78.37 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? 16.646 -21.545 -16.805 1.00 79.55 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? 14.820 -18.639 -12.399 1.00 52.69 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? 14.353 -17.268 -12.203 1.00 49.41 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? 13.937 -17.040 -10.756 1.00 48.69 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? 12.956 -16.355 -10.490 1.00 49.37 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? 13.144 -16.994 -13.103 1.00 47.04 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? 13.374 -17.169 -14.578 1.00 46.71 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? 12.054 -17.524 -15.259 1.00 47.73 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? 12.102 -17.345 -16.705 1.00 46.75 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? 12.894 -18.017 -17.529 1.00 44.42 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? 13.720 -18.944 -17.066 1.00 46.40 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? 12.884 -17.727 -18.819 1.00 42.20 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? 14.677 -17.628 -9.827 1.00 47.41 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? 14.372 -17.510 -8.405 1.00 47.24 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? 14.743 -16.134 -7.826 1.00 46.73 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? 14.130 -15.665 -6.859 1.00 45.31 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? 15.102 -18.631 -7.615 1.00 46.33 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? 15.741 -15.487 -8.414 1.00 46.18 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? 16.182 -14.191 -7.914 1.00 47.98 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? 16.180 -13.141 -9.010 1.00 48.57 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? 16.681 -12.032 -8.831 1.00 49.81 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? 17.576 -14.314 -7.300 1.00 47.34 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? 17.680 -15.379 -6.222 1.00 48.45 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? 16.979 -15.263 -5.019 1.00 49.25 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? 18.493 -16.503 -6.407 1.00 49.14 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? 17.091 -16.235 -4.023 1.00 50.52 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? 18.608 -17.479 -5.426 1.00 49.10 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? 17.909 -17.337 -4.231 1.00 50.74 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? 18.069 -18.269 -3.228 1.00 52.15 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? 15.576 -13.496 -10.135 1.00 49.61 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? 15.483 -12.604 -11.274 1.00 52.34 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? 14.450 -13.088 -12.285 1.00 53.24 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? 14.526 -14.215 -12.763 1.00 54.76 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? 16.859 -12.498 -11.922 1.00 54.46 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? 16.880 -11.864 -13.286 1.00 61.92 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? 18.245 -12.070 -13.935 1.00 69.96 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? 18.114 -12.319 -15.372 1.00 78.72 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? 19.042 -12.898 -16.135 1.00 83.28 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? 20.196 -13.294 -15.604 1.00 82.52 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? 18.806 -13.097 -17.432 1.00 85.31 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? 13.487 -12.236 -12.621 1.00 52.72 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? 12.463 -12.619 -13.586 1.00 53.82 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? 12.943 -12.515 -15.017 1.00 53.65 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? 13.757 -11.664 -15.368 1.00 54.99 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? 11.211 -11.748 -13.468 1.00 53.32 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? 10.698 -11.651 -12.063 1.00 51.63 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? 10.736 -12.665 -11.335 1.00 49.23 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? 10.251 -10.551 -11.692 1.00 52.76 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? 12.426 -13.409 -15.838 1.00 53.53 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? 12.729 -13.403 -17.242 1.00 54.86 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? 11.457 -13.861 -17.901 1.00 52.30 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? 10.709 -14.651 -17.326 1.00 54.03 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? 13.858 -14.373 -17.582 1.00 56.92 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? 14.426 -14.118 -18.972 1.00 62.70 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? 15.520 -15.093 -19.345 1.00 67.49 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? 16.396 -15.374 -18.492 1.00 70.36 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? 15.500 -15.582 -20.498 1.00 69.97 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? 11.173 -13.342 -19.081 1.00 50.18 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? 9.983 -13.774 -19.770 1.00 53.12 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? 10.245 -15.240 -20.078 1.00 51.76 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? 11.400 -15.673 -20.135 1.00 50.86 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? 9.779 -12.999 -21.078 1.00 51.02 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? 9.520 -11.540 -20.784 1.00 46.02 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? 11.021 -13.134 -21.952 1.00 51.39 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? 9.174 -16.029 -20.261 1.00 52.41 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? 9.291 -17.456 -20.566 1.00 58.04 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? 9.848 -17.751 -21.955 1.00 58.82 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? 9.655 -16.980 -22.895 1.00 57.03 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? 7.850 -17.956 -20.398 1.00 55.27 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? 7.060 -16.808 -20.856 1.00 55.12 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? 7.754 -15.642 -20.167 1.00 53.27 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? 10.560 -18.867 -22.070 1.00 62.15 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? 11.083 -19.291 -23.358 1.00 65.32 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? 9.888 -19.695 -24.247 1.00 65.35 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? 8.780 -19.936 -23.762 1.00 65.31 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? 12.063 -20.465 -23.162 1.00 66.64 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? 11.490 -21.505 -22.383 1.00 69.90 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? 10.106 -19.766 -25.551 1.00 67.09 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? 9.020 -20.142 -26.451 1.00 69.41 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? 8.636 -21.572 -26.141 1.00 68.40 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? 7.469 -21.954 -26.177 1.00 68.52 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? 9.470 -20.028 -27.903 1.00 71.22 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? 10.096 -18.767 -28.128 1.00 75.56 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? 9.657 -22.362 -25.835 1.00 67.07 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? 9.493 -23.761 -25.491 1.00 65.64 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? 8.436 -23.879 -24.396 1.00 65.04 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? 7.499 -24.668 -24.509 1.00 67.66 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? 10.807 -24.310 -25.016 1.00 63.13 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? 8.602 -23.070 -23.351 1.00 63.67 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? 7.700 -23.004 -22.192 1.00 61.46 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? 6.272 -22.664 -22.626 1.00 61.16 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? 5.307 -23.245 -22.135 1.00 62.15 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? 8.216 -21.924 -21.161 1.00 60.06 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? 9.522 -22.293 -20.702 1.00 59.56 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? 7.303 -21.813 -19.964 1.00 57.40 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? 6.147 -21.716 -23.549 1.00 60.53 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? 4.849 -21.315 -24.065 1.00 60.20 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? 4.279 -22.491 -24.839 1.00 59.55 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? 3.146 -22.913 -24.599 1.00 58.84 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? 4.962 -20.120 -25.016 1.00 61.13 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? 5.621 -18.946 -24.302 1.00 61.30 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? 3.582 -19.714 -25.510 1.00 59.65 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? 4.751 -18.298 -23.284 1.00 61.98 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? 5.079 -23.022 -25.761 1.00 58.04 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? 4.665 -24.171 -26.557 1.00 57.53 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? 4.134 -25.287 -25.639 1.00 56.07 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? 3.062 -25.843 -25.879 1.00 51.96 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? 5.847 -24.690 -27.378 1.00 58.95 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? 5.423 -25.663 -28.323 1.00 64.50 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? 4.892 -25.598 -24.586 1.00 54.63 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? 4.505 -26.636 -23.629 1.00 55.54 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? 3.158 -26.328 -22.997 1.00 55.46 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? 2.247 -27.163 -23.003 1.00 57.59 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? 5.561 -26.786 -22.517 1.00 54.77 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? 6.878 -27.509 -22.843 1.00 54.59 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? 7.719 -27.625 -21.579 1.00 52.57 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? 6.585 -28.906 -23.402 1.00 51.50 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? 3.046 -25.123 -22.442 1.00 53.95 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? 1.823 -24.686 -21.792 1.00 52.73 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? 0.642 -24.851 -22.726 1.00 53.04 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -0.432 -25.258 -22.299 1.00 55.51 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? 1.952 -23.230 -21.385 1.00 51.13 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? 2.970 -22.998 -20.307 1.00 51.45 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? 3.230 -21.525 -20.071 1.00 53.94 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? 2.844 -20.693 -20.916 1.00 54.41 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? 3.839 -21.192 -19.042 1.00 56.39 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? 0.839 -24.546 -24.005 1.00 53.91 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -0.239 -24.666 -24.977 1.00 55.40 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -0.520 -26.095 -25.428 1.00 56.84 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -1.613 -26.379 -25.914 1.00 59.14 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? 0.044 -23.805 -26.211 1.00 55.67 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -0.009 -22.333 -25.908 1.00 55.71 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -0.555 -21.938 -24.883 1.00 57.97 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? 0.544 -21.505 -26.800 1.00 58.37 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? 0.459 -26.983 -25.272 1.00 56.43 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? 0.334 -28.378 -25.690 1.00 55.68 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -0.072 -29.361 -24.600 1.00 54.48 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -0.122 -30.560 -24.865 1.00 53.60 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? 1.654 -28.864 -26.310 1.00 55.89 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? 1.920 -28.212 -27.540 1.00 58.77 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -0.380 -28.881 -23.393 1.00 51.60 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -0.741 -29.797 -22.305 1.00 51.11 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -1.920 -30.728 -22.623 1.00 50.91 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -1.828 -31.944 -22.455 1.00 50.04 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -1.033 -29.027 -21.021 1.00 43.52 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -1.159 -29.923 -19.823 1.00 39.16 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -0.242 -30.830 -19.383 1.00 36.87 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -2.274 -30.014 -18.923 1.00 37.68 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -0.707 -31.477 -18.259 1.00 34.68 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -1.947 -30.986 -17.949 1.00 35.95 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -3.502 -29.343 -18.822 1.00 39.31 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -2.821 -31.335 -16.921 1.00 36.48 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -4.369 -29.694 -17.788 1.00 39.27 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -4.014 -30.667 -16.846 1.00 38.31 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -3.019 -30.141 -23.069 1.00 51.52 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -4.225 -30.877 -23.429 1.00 54.45 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -3.941 -31.960 -24.477 1.00 54.24 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -4.240 -33.143 -24.268 1.00 52.30 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -5.281 -29.885 -23.963 1.00 54.08 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -6.408 -30.539 -24.532 1.00 61.03 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -3.385 -31.528 -25.607 1.00 54.94 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -3.067 -32.431 -26.695 1.00 56.56 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -2.130 -33.545 -26.265 1.00 57.85 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -2.368 -34.722 -26.575 1.00 60.15 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -1.065 -33.181 -25.559 1.00 55.59 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -0.102 -34.160 -25.066 1.00 54.72 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -0.746 -35.157 -24.117 1.00 54.85 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -0.498 -36.360 -24.209 1.00 54.47 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? 1.064 -33.464 -24.354 1.00 55.02 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? 2.265 -33.014 -25.195 1.00 54.02 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? 3.231 -32.208 -24.328 1.00 52.10 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? 2.960 -34.244 -25.778 1.00 53.94 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -1.568 -34.647 -23.204 1.00 54.40 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -2.267 -35.481 -22.232 1.00 54.27 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -3.113 -36.503 -22.986 1.00 56.20 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -3.174 -37.679 -22.624 1.00 57.94 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -3.182 -34.623 -21.346 1.00 52.06 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -2.460 -33.670 -20.591 1.00 50.39 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -3.749 -36.032 -24.050 1.00 56.14 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -4.620 -36.859 -24.859 1.00 56.28 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -3.878 -37.883 -25.695 1.00 56.32 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -4.234 -39.065 -25.682 1.00 52.74 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -5.461 -35.973 -25.770 1.00 58.32 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -6.600 -36.702 -26.474 1.00 61.35 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -6.729 -36.196 -27.898 1.00 66.07 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -8.185 -36.062 -28.326 1.00 70.31 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -8.295 -35.837 -29.810 1.00 75.36 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -2.861 -37.420 -26.427 1.00 54.95 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -2.067 -38.293 -27.290 1.00 54.98 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -1.274 -39.345 -26.522 1.00 55.20 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -0.901 -40.385 -27.063 1.00 58.01 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -1.108 -37.478 -28.144 1.00 55.54 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -1.765 -36.751 -29.271 1.00 58.16 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -2.678 -37.650 -30.056 1.00 61.28 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -2.298 -38.750 -30.439 1.00 66.15 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -3.896 -37.186 -30.307 1.00 65.06 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -0.998 -39.060 -25.261 1.00 54.10 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -0.287 -39.991 -24.412 1.00 51.22 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -1.253 -41.083 -23.972 1.00 52.85 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -0.865 -42.242 -23.863 1.00 54.23 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? 0.280 -39.273 -23.172 1.00 48.21 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? 1.414 -38.341 -23.601 1.00 45.46 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? 0.766 -40.289 -22.132 1.00 45.90 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? 1.920 -37.403 -22.508 1.00 42.03 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -2.508 -40.707 -23.719 1.00 54.99 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -3.537 -41.657 -23.299 1.00 58.18 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -3.970 -42.576 -24.456 1.00 59.66 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -4.275 -43.753 -24.246 1.00 57.86 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -4.759 -40.911 -22.745 1.00 58.88 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -4.624 -40.526 -21.283 1.00 63.90 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -5.596 -39.438 -20.875 1.00 65.53 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -6.696 -39.711 -20.386 1.00 68.48 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -5.196 -38.186 -21.092 1.00 66.45 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -3.981 -42.023 -25.668 1.00 60.54 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -4.360 -42.757 -26.868 1.00 62.79 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -3.323 -43.798 -27.274 1.00 65.09 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -3.661 -44.800 -27.893 1.00 65.26 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -4.565 -41.804 -28.046 1.00 64.15 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -5.653 -40.728 -27.995 1.00 65.77 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -5.689 -39.995 -29.343 1.00 66.91 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -7.009 -41.362 -27.696 1.00 66.29 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -2.060 -43.557 -26.930 1.00 66.30 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -0.983 -44.482 -27.282 1.00 66.07 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -1.000 -45.773 -26.470 1.00 65.40 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -0.214 -46.681 -26.751 1.00 66.49 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? 0.363 -43.802 -27.123 1.00 63.64 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -1.871 -45.872 -25.468 1.00 63.95 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -1.914 -47.097 -24.665 1.00 65.61 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -2.409 -48.282 -25.494 1.00 66.43 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -2.129 -49.449 -25.185 1.00 66.38 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -2.830 -46.934 -23.456 1.00 66.99 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -2.315 -46.039 -22.340 1.00 66.96 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -3.371 -45.816 -21.264 1.00 67.25 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -3.259 -46.320 -20.137 1.00 67.66 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -4.413 -45.061 -21.613 1.00 64.45 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -3.182 -47.990 -26.529 1.00 65.69 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -3.657 -49.063 -27.370 1.00 64.54 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -3.040 -48.950 -28.751 1.00 63.22 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -3.531 -49.567 -29.695 1.00 64.56 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -1.977 -48.161 -28.887 1.00 59.55 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -1.334 -47.979 -30.183 1.00 57.66 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? 0.186 -48.174 -30.076 1.00 57.28 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? 0.972 -47.563 -30.808 1.00 55.32 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -1.661 -46.579 -30.719 1.00 58.15 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -1.156 -46.352 -32.133 1.00 62.38 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -0.970 -45.210 -32.560 1.00 65.48 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -0.939 -47.435 -32.870 1.00 64.76 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? 0.594 -49.032 -29.151 1.00 55.68 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? 2.011 -49.329 -28.920 1.00 56.37 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? 2.861 -48.135 -28.509 1.00 58.05 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? 4.040 -48.086 -28.846 1.00 60.78 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? 2.643 -49.944 -30.171 1.00 55.37 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? 1.972 -51.221 -30.598 1.00 52.94 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? 1.780 -52.123 -29.797 1.00 54.21 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? 1.623 -51.307 -31.868 1.00 50.26 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? 2.275 -47.182 -27.793 1.00 58.59 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? 3.015 -46.008 -27.367 1.00 55.98 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? 3.199 -44.941 -28.433 1.00 56.03 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? 3.904 -43.954 -28.225 1.00 54.19 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? 2.570 -45.133 -29.585 1.00 56.89 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? 2.657 -44.157 -30.669 1.00 57.92 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? 1.398 -43.277 -30.729 1.00 60.18 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? 0.270 -43.776 -30.602 1.00 59.36 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? 2.847 -44.858 -32.014 1.00 57.65 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? 2.713 -43.857 -33.123 1.00 54.61 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? 4.201 -45.568 -32.052 1.00 54.48 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? 1.601 -41.972 -30.910 1.00 60.50 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? 0.506 -41.005 -30.957 1.00 61.89 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -0.343 -41.113 -32.210 1.00 63.62 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? 0.199 -41.214 -33.306 1.00 64.44 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? 1.041 -39.558 -30.917 1.00 59.75 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? 1.694 -39.160 -29.624 1.00 56.95 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? 1.925 -40.086 -28.610 1.00 56.31 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? 2.136 -37.850 -29.447 1.00 55.23 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? 2.602 -39.704 -27.443 1.00 56.32 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? 2.809 -37.469 -28.285 1.00 52.80 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? 3.042 -38.390 -27.288 1.00 53.38 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -1.665 -41.073 -32.055 1.00 66.52 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -2.560 -41.065 -33.210 1.00 70.35 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -2.078 -39.876 -34.044 1.00 71.60 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -1.700 -40.014 -35.208 1.00 73.06 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -4.005 -40.823 -32.759 1.00 71.30 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -4.605 -41.983 -31.999 1.00 74.45 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -4.812 -43.160 -32.942 1.00 78.19 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -4.967 -44.427 -32.238 1.00 79.95 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -5.122 -45.600 -32.849 1.00 80.03 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -5.139 -45.651 -34.179 1.00 78.45 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -5.267 -46.717 -32.134 1.00 78.86 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -2.068 -38.710 -33.405 1.00 72.89 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -1.635 -37.469 -34.029 1.00 73.78 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -0.391 -36.934 -33.300 1.00 73.17 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -0.345 -36.921 -32.063 1.00 71.80 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -2.771 -36.435 -33.979 1.00 75.19 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -3.914 -36.959 -34.673 1.00 78.78 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -2.339 -35.125 -34.603 1.00 74.42 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? 0.641 -36.512 -34.064 1.00 72.05 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? 1.893 -35.977 -33.508 1.00 71.98 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? 1.688 -34.588 -32.932 1.00 70.81 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? 0.994 -33.768 -33.540 1.00 71.10 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? 2.825 -35.919 -34.724 1.00 71.61 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? 2.175 -36.827 -35.743 1.00 72.55 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? 0.711 -36.489 -35.533 1.00 72.48 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? 2.312 -34.316 -31.789 1.00 69.54 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? 2.202 -33.006 -31.136 1.00 68.06 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? 3.433 -32.154 -31.459 1.00 67.69 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? 4.571 -32.560 -31.182 1.00 67.24 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? 2.090 -33.150 -29.587 1.00 66.97 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? 0.819 -33.718 -29.243 1.00 64.18 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? 2.224 -31.800 -28.908 1.00 64.57 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? 3.200 -30.976 -32.037 1.00 67.53 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? 4.279 -30.059 -32.403 1.00 68.27 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? 4.631 -29.059 -31.296 1.00 68.49 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? 3.768 -28.377 -30.740 1.00 69.01 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? 3.934 -29.232 -33.682 1.00 67.79 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? 5.218 -28.803 -34.376 1.00 66.45 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? 3.053 -30.041 -34.619 1.00 68.11 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? 5.917 -28.985 -30.990 1.00 67.77 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? 6.435 -28.087 -29.979 1.00 68.74 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? 7.591 -27.294 -30.578 1.00 71.51 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? 7.893 -27.397 -31.770 1.00 71.80 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? 6.953 -28.895 -28.775 1.00 64.24 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? 5.978 -29.810 -28.032 1.00 60.92 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? 6.660 -30.381 -26.793 1.00 57.13 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? 4.753 -29.012 -27.642 1.00 58.34 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? 8.195 -26.457 -29.755 1.00 74.80 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? 9.424 -25.795 -30.095 1.00 77.10 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? 10.346 -26.145 -28.966 1.00 78.95 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? 9.917 -26.203 -27.833 1.00 77.98 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? 9.240 -24.290 -30.154 1.00 77.67 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? 10.583 -23.592 -30.219 1.00 78.90 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? 8.393 -23.931 -31.350 1.00 77.70 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? 11.604 -26.416 -29.279 1.00 81.42 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? 12.543 -26.799 -28.239 1.00 85.04 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? 13.236 -25.592 -27.599 1.00 86.53 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? 12.951 -24.426 -27.927 1.00 85.84 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? 13.588 -27.763 -28.794 1.00 86.96 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? 14.194 -27.264 -30.098 1.00 88.37 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? 14.644 -26.083 -30.153 1.00 87.86 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? 14.210 -28.054 -31.072 1.00 88.32 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? 14.145 -25.888 -26.675 1.00 88.42 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? 14.873 -24.845 -25.968 1.00 91.11 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? 15.845 -24.087 -26.891 1.00 91.93 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? 17.041 -23.941 -26.576 1.00 91.91 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? 15.619 -25.457 -24.765 1.00 91.54 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? 16.830 -26.097 -25.149 1.00 92.43 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? 15.316 -23.663 -28.037 1.00 91.90 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? 16.087 -22.894 -29.003 1.00 92.20 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? 15.382 -22.554 -30.304 1.00 93.06 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? 16.028 -22.374 -31.320 1.00 93.69 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? 17.402 -23.589 -29.327 1.00 91.82 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? 18.493 -22.623 -29.746 1.00 90.70 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? 19.773 -22.849 -28.954 1.00 90.72 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? 19.836 -21.960 -27.729 1.00 89.90 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? 20.045 -22.757 -26.494 1.00 89.48 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? 14.067 -22.436 -30.280 1.00 93.01 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? 13.343 -21.971 -31.457 1.00 91.81 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? 13.100 -22.993 -32.557 1.00 91.45 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? 12.489 -22.644 -33.582 1.00 91.16 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? 13.545 -24.238 -32.369 1.00 90.09 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? 13.327 -25.263 -33.393 1.00 89.42 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? 12.018 -26.043 -33.223 1.00 88.48 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? 11.730 -26.576 -32.147 1.00 88.97 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? 14.501 -26.249 -33.427 1.00 89.15 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? 15.814 -25.589 -33.827 1.00 88.81 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? 15.879 -24.863 -34.831 1.00 87.77 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? 16.875 -25.852 -33.052 1.00 89.33 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? 11.230 -26.108 -34.293 1.00 86.20 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? 9.967 -26.840 -34.275 1.00 85.08 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? 10.240 -28.347 -34.328 1.00 83.17 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? 10.934 -28.826 -35.232 1.00 83.54 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? 9.115 -26.423 -35.480 1.00 86.56 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? 8.007 -27.403 -35.847 1.00 89.65 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? 7.578 -27.174 -37.317 1.00 93.38 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? 7.250 -28.416 -38.037 1.00 93.91 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? 8.031 -29.496 -38.071 1.00 93.82 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? 7.647 -30.571 -38.759 1.00 91.54 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? 9.190 -29.504 -37.408 1.00 93.38 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? 9.718 -29.101 -33.367 1.00 80.02 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? 9.941 -30.547 -33.389 1.00 76.02 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? 8.631 -31.294 -33.209 1.00 74.61 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? 7.663 -30.738 -32.683 1.00 74.10 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? 10.904 -30.974 -32.277 1.00 74.13 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? 12.099 -30.037 -32.267 1.00 72.13 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? 10.183 -30.991 -30.934 1.00 71.57 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? 8.583 -32.544 -33.659 1.00 73.30 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? 7.361 -33.316 -33.497 1.00 73.77 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? 7.558 -34.421 -32.486 1.00 71.63 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? 8.587 -35.104 -32.488 1.00 72.11 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? 6.906 -33.961 -34.816 1.00 76.25 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? 6.668 -33.027 -35.986 1.00 80.88 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? 5.698 -33.629 -36.991 1.00 84.29 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? 5.769 -34.831 -37.299 1.00 85.07 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? 4.779 -32.799 -37.508 1.00 86.69 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? 6.575 -34.583 -31.612 1.00 68.95 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? 6.585 -35.659 -30.637 1.00 66.46 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? 5.618 -36.685 -31.246 1.00 66.83 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? 4.416 -36.409 -31.426 1.00 66.37 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? 6.066 -35.163 -29.279 1.00 64.47 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? 6.751 -33.838 -28.941 1.00 63.57 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? 6.327 -36.194 -28.196 1.00 62.47 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? 8.271 -33.899 -28.987 1.00 60.47 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? 6.149 -37.848 -31.606 1.00 65.94 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? 5.326 -38.881 -32.213 1.00 65.55 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? 4.941 -40.054 -31.299 1.00 64.18 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? 3.958 -40.727 -31.562 1.00 62.37 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? 5.993 -39.399 -33.510 1.00 65.79 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? 7.202 -40.108 -33.183 1.00 69.67 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? 6.308 -38.208 -34.434 1.00 63.51 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? 5.750 -40.302 -30.270 1.00 63.88 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? 5.649 -41.464 -29.380 1.00 63.76 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? 6.085 -41.172 -27.946 1.00 61.22 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? 6.785 -40.242 -27.721 1.00 61.27 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? 6.447 -42.650 -29.953 1.00 64.65 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? 7.955 -42.442 -29.943 1.00 67.21 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? 8.586 -42.484 -28.909 1.00 66.55 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? 8.536 -42.286 -31.111 1.00 68.79 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? 5.645 -41.965 -26.983 1.00 58.69 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? 6.041 -41.841 -25.600 1.00 57.15 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? 7.492 -42.011 -25.177 1.00 58.64 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? 7.767 -41.929 -23.989 1.00 58.36 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? 5.167 -42.776 -24.718 1.00 55.37 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? 3.703 -42.707 -25.172 1.00 48.66 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? 5.680 -44.201 -24.788 1.00 53.91 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? 8.424 -42.245 -26.099 1.00 61.55 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? 9.834 -42.395 -25.689 1.00 62.13 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? 10.504 -41.024 -25.556 1.00 62.20 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? 11.499 -40.868 -24.842 1.00 62.98 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? 10.646 -43.259 -26.676 1.00 62.00 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? 10.573 -42.688 -27.988 1.00 64.06 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? 10.119 -44.695 -26.686 1.00 60.01 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? 9.952 -40.039 -26.259 1.00 63.20 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? 10.438 -38.668 -26.208 1.00 64.77 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? 10.556 -38.195 -24.745 1.00 64.99 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? 9.746 -38.556 -23.875 1.00 65.74 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? 9.486 -37.754 -26.978 1.00 64.43 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? 9.866 -36.401 -26.811 1.00 68.92 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? 11.561 -37.371 -24.479 1.00 64.89 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? 11.789 -36.872 -23.129 1.00 65.24 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? 10.626 -36.071 -22.558 1.00 61.73 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? 10.421 -36.059 -21.342 1.00 60.05 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? 13.072 -36.032 -23.076 1.00 70.28 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? 14.332 -36.893 -23.023 1.00 76.80 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? 14.708 -37.422 -21.962 1.00 79.17 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? 14.986 -37.054 -24.177 1.00 79.21 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? 9.855 -35.409 -23.416 1.00 58.21 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? 8.734 -34.628 -22.913 1.00 55.97 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? 7.786 -35.551 -22.170 1.00 54.32 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? 7.144 -35.135 -21.212 1.00 54.01 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? 7.963 -33.913 -24.028 1.00 55.47 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? 7.456 -34.912 -25.029 1.00 55.98 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? 6.817 -33.120 -23.423 1.00 54.94 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? 7.713 -36.808 -22.610 1.00 55.42 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? 6.853 -37.797 -21.963 1.00 54.76 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? 7.570 -38.562 -20.850 1.00 54.29 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? 7.022 -38.740 -19.758 1.00 54.03 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? 6.283 -38.854 -22.966 1.00 54.07 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? 5.390 -39.833 -22.215 1.00 48.70 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? 5.486 -38.169 -24.069 1.00 52.86 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? 8.799 -38.993 -21.121 1.00 54.86 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? 9.561 -39.782 -20.156 1.00 55.28 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? 10.017 -38.978 -18.960 1.00 56.87 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? 9.866 -39.443 -17.834 1.00 56.24 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? 10.798 -40.455 -20.811 1.00 53.68 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? 11.678 -39.437 -21.308 1.00 55.88 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? 10.375 -41.352 -21.980 1.00 51.05 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? 10.523 -37.766 -19.203 1.00 59.92 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? 11.041 -36.886 -18.155 1.00 61.64 ? 235 SER A CA 1 ATOM 1818 C C . SER A 1 235 ? 10.177 -35.659 -17.749 1.00 62.65 ? 235 SER A C 1 ATOM 1819 O O . SER A 1 235 ? 9.919 -35.466 -16.555 1.00 66.56 ? 235 SER A O 1 ATOM 1820 C CB . SER A 1 235 ? 12.446 -36.447 -18.581 1.00 62.14 ? 235 SER A CB 1 ATOM 1821 O OG . SER A 1 235 ? 12.788 -37.081 -19.820 1.00 64.19 ? 235 SER A OG 1 ATOM 1822 N N . ASN A 1 236 ? 9.713 -34.878 -18.731 1.00 59.10 ? 236 ASN A N 1 ATOM 1823 C CA . ASN A 1 236 ? 8.935 -33.647 -18.541 1.00 55.28 ? 236 ASN A CA 1 ATOM 1824 C C . ASN A 1 236 ? 7.514 -33.438 -17.989 1.00 52.94 ? 236 ASN A C 1 ATOM 1825 O O . ASN A 1 236 ? 7.325 -32.799 -16.952 1.00 51.13 ? 236 ASN A O 1 ATOM 1826 C CB . ASN A 1 236 ? 8.806 -32.922 -19.885 1.00 55.89 ? 236 ASN A CB 1 ATOM 1827 C CG . ASN A 1 236 ? 8.857 -31.412 -19.742 1.00 55.13 ? 236 ASN A CG 1 ATOM 1828 O OD1 . ASN A 1 236 ? 8.523 -30.863 -18.698 1.00 55.88 ? 236 ASN A OD1 1 ATOM 1829 N ND2 . ASN A 1 236 ? 9.268 -30.736 -20.796 1.00 54.02 ? 236 ASN A ND2 1 ATOM 1830 N N . ILE A 1 237 ? 6.517 -33.930 -18.725 1.00 50.54 ? 237 ILE A N 1 ATOM 1831 C CA . ILE A 1 237 ? 5.130 -33.929 -18.276 1.00 47.53 ? 237 ILE A CA 1 ATOM 1832 C C . ILE A 1 237 ? 4.903 -34.762 -17.016 1.00 46.78 ? 237 ILE A C 1 ATOM 1833 O O . ILE A 1 237 ? 5.228 -35.947 -16.963 1.00 47.14 ? 237 ILE A O 1 ATOM 1834 C CB . ILE A 1 237 ? 4.186 -34.335 -19.447 1.00 46.01 ? 237 ILE A CB 1 ATOM 1835 C CG1 . ILE A 1 237 ? 2.753 -33.886 -19.140 1.00 43.73 ? 237 ILE A CG1 1 ATOM 1836 C CG2 . ILE A 1 237 ? 4.309 -35.810 -19.730 1.00 44.16 ? 237 ILE A CG2 1 ATOM 1837 C CD1 . ILE A 1 237 ? 1.823 -33.893 -20.351 1.00 36.87 ? 237 ILE A CD1 1 ATOM 1838 N N . GLN A 1 238 ? 4.317 -34.110 -16.012 1.00 45.67 ? 238 GLN A N 1 ATOM 1839 C CA . GLN A 1 238 ? 4.057 -34.679 -14.693 1.00 43.78 ? 238 GLN A CA 1 ATOM 1840 C C . GLN A 1 238 ? 2.597 -34.983 -14.371 1.00 44.11 ? 238 GLN A C 1 ATOM 1841 O O . GLN A 1 238 ? 2.305 -35.659 -13.392 1.00 44.66 ? 238 GLN A O 1 ATOM 1842 C CB . GLN A 1 238 ? 4.602 -33.721 -13.642 1.00 43.89 ? 238 GLN A CB 1 ATOM 1843 C CG . GLN A 1 238 ? 6.062 -33.372 -13.839 1.00 46.14 ? 238 GLN A CG 1 ATOM 1844 C CD . GLN A 1 238 ? 7.005 -34.516 -13.461 1.00 47.36 ? 238 GLN A CD 1 ATOM 1845 O OE1 . GLN A 1 238 ? 6.910 -35.069 -12.372 1.00 50.05 ? 238 GLN A OE1 1 ATOM 1846 N NE2 . GLN A 1 238 ? 7.923 -34.857 -14.357 1.00 43.78 ? 238 GLN A NE2 1 ATOM 1847 N N . LEU A 1 239 ? 1.671 -34.473 -15.165 1.00 43.59 ? 239 LEU A N 1 ATOM 1848 C CA . LEU A 1 239 ? 0.264 -34.730 -14.891 1.00 44.79 ? 239 LEU A CA 1 ATOM 1849 C C . LEU A 1 239 ? -0.467 -34.839 -16.208 1.00 46.13 ? 239 LEU A C 1 ATOM 1850 O O . LEU A 1 239 ? -0.059 -34.242 -17.195 1.00 46.52 ? 239 LEU A O 1 ATOM 1851 C CB . LEU A 1 239 ? -0.337 -33.586 -14.064 1.00 44.85 ? 239 LEU A CB 1 ATOM 1852 C CG . LEU A 1 239 ? 0.292 -33.218 -12.716 1.00 44.32 ? 239 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 239 ? -0.229 -31.867 -12.270 1.00 42.26 ? 239 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 239 ? 0.013 -34.294 -11.681 1.00 45.53 ? 239 LEU A CD2 1 ATOM 1855 N N . LEU A 1 240 ? -1.543 -35.606 -16.238 1.00 47.33 ? 240 LEU A N 1 ATOM 1856 C CA . LEU A 1 240 ? -2.285 -35.752 -17.472 1.00 49.38 ? 240 LEU A CA 1 ATOM 1857 C C . LEU A 1 240 ? -3.712 -35.329 -17.253 1.00 51.58 ? 240 LEU A C 1 ATOM 1858 O O . LEU A 1 240 ? -4.348 -35.712 -16.267 1.00 50.86 ? 240 LEU A O 1 ATOM 1859 C CB . LEU A 1 240 ? -2.261 -37.199 -17.973 1.00 48.25 ? 240 LEU A CB 1 ATOM 1860 C CG . LEU A 1 240 ? -0.871 -37.800 -18.253 1.00 47.66 ? 240 LEU A CG 1 ATOM 1861 C CD1 . LEU A 1 240 ? -1.044 -39.266 -18.630 1.00 48.63 ? 240 LEU A CD1 1 ATOM 1862 C CD2 . LEU A 1 240 ? -0.130 -37.035 -19.357 1.00 39.86 ? 240 LEU A CD2 1 ATOM 1863 N N . LEU A 1 241 ? -4.187 -34.497 -18.169 1.00 53.39 ? 241 LEU A N 1 ATOM 1864 C CA . LEU A 1 241 ? -5.559 -34.036 -18.169 1.00 53.32 ? 241 LEU A CA 1 ATOM 1865 C C . LEU A 1 241 ? -6.336 -35.277 -18.621 1.00 54.74 ? 241 LEU A C 1 ATOM 1866 O O . LEU A 1 241 ? -6.024 -35.869 -19.653 1.00 51.47 ? 241 LEU A O 1 ATOM 1867 C CB . LEU A 1 241 ? -5.713 -32.898 -19.187 1.00 53.34 ? 241 LEU A CB 1 ATOM 1868 C CG . LEU A 1 241 ? -7.072 -32.275 -19.507 1.00 54.16 ? 241 LEU A CG 1 ATOM 1869 C CD1 . LEU A 1 241 ? -7.730 -31.759 -18.235 1.00 53.74 ? 241 LEU A CD1 1 ATOM 1870 C CD2 . LEU A 1 241 ? -6.852 -31.137 -20.511 1.00 51.75 ? 241 LEU A CD2 1 ATOM 1871 N N . ASN A 1 242 ? -7.335 -35.688 -17.851 1.00 56.81 ? 242 ASN A N 1 ATOM 1872 C CA . ASN A 1 242 ? -8.081 -36.860 -18.236 1.00 59.91 ? 242 ASN A CA 1 ATOM 1873 C C . ASN A 1 242 ? -8.783 -36.580 -19.549 1.00 63.17 ? 242 ASN A C 1 ATOM 1874 O O . ASN A 1 242 ? -9.448 -35.547 -19.712 1.00 63.03 ? 242 ASN A O 1 ATOM 1875 C CB . ASN A 1 242 ? -9.103 -37.258 -17.170 1.00 59.78 ? 242 ASN A CB 1 ATOM 1876 C CG . ASN A 1 242 ? -9.614 -38.676 -17.364 1.00 59.13 ? 242 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 242 ? -10.125 -39.021 -18.430 1.00 57.43 ? 242 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 242 ? -9.465 -39.508 -16.336 1.00 55.83 ? 242 ASN A ND2 1 ATOM 1879 N N . THR A 1 243 ? -8.622 -37.509 -20.491 1.00 65.76 ? 243 THR A N 1 ATOM 1880 C CA . THR A 1 243 ? -9.232 -37.363 -21.805 1.00 67.57 ? 243 THR A CA 1 ATOM 1881 C C . THR A 1 243 ? -10.756 -37.213 -21.686 1.00 67.83 ? 243 THR A C 1 ATOM 1882 O O . THR A 1 243 ? -11.407 -36.802 -22.644 1.00 66.18 ? 243 THR A O 1 ATOM 1883 C CB . THR A 1 243 ? -8.866 -38.553 -22.715 1.00 67.76 ? 243 THR A CB 1 ATOM 1884 O OG1 . THR A 1 243 ? -8.986 -38.158 -24.092 1.00 70.64 ? 243 THR A OG1 1 ATOM 1885 C CG2 . THR A 1 243 ? -9.766 -39.740 -22.418 1.00 66.12 ? 243 THR A CG2 1 ATOM 1886 N N . LYS A 1 244 ? -11.324 -37.541 -20.523 1.00 68.40 ? 244 LYS A N 1 ATOM 1887 C CA . LYS A 1 244 ? -12.779 -37.384 -20.330 1.00 71.24 ? 244 LYS A CA 1 ATOM 1888 C C . LYS A 1 244 ? -13.131 -35.895 -20.126 1.00 72.77 ? 244 LYS A C 1 ATOM 1889 O O . LYS A 1 244 ? -14.248 -35.536 -19.731 1.00 73.24 ? 244 LYS A O 1 ATOM 1890 C CB . LYS A 1 244 ? -13.264 -38.207 -19.123 1.00 72.28 ? 244 LYS A CB 1 ATOM 1891 C CG . LYS A 1 244 ? -14.049 -39.488 -19.494 1.00 75.36 ? 244 LYS A CG 1 ATOM 1892 C CD . LYS A 1 244 ? -13.686 -40.699 -18.608 1.00 78.10 ? 244 LYS A CD 1 ATOM 1893 C CE . LYS A 1 244 ? -14.939 -41.471 -18.137 1.00 79.10 ? 244 LYS A CE 1 ATOM 1894 N NZ . LYS A 1 244 ? -14.583 -42.645 -17.275 1.00 78.54 ? 244 LYS A NZ 1 ATOM 1895 N N . ASN A 1 245 ? -12.153 -35.036 -20.403 1.00 72.21 ? 245 ASN A N 1 ATOM 1896 C CA . ASN A 1 245 ? -12.298 -33.595 -20.262 1.00 71.03 ? 245 ASN A CA 1 ATOM 1897 C C . ASN A 1 245 ? -11.662 -32.897 -21.458 1.00 70.92 ? 245 ASN A C 1 ATOM 1898 O O . ASN A 1 245 ? -11.264 -31.731 -21.376 1.00 69.47 ? 245 ASN A O 1 ATOM 1899 C CB . ASN A 1 245 ? -11.614 -33.106 -18.988 1.00 70.23 ? 245 ASN A CB 1 ATOM 1900 C CG . ASN A 1 245 ? -12.237 -33.661 -17.745 1.00 70.82 ? 245 ASN A CG 1 ATOM 1901 O OD1 . ASN A 1 245 ? -13.454 -33.830 -17.674 1.00 73.41 ? 245 ASN A OD1 1 ATOM 1902 N ND2 . ASN A 1 245 ? -11.412 -33.922 -16.734 1.00 69.69 ? 245 ASN A ND2 1 ATOM 1903 N N . ILE A 1 246 ? -11.547 -33.612 -22.568 1.00 70.59 ? 246 ILE A N 1 ATOM 1904 C CA . ILE A 1 246 ? -10.966 -33.028 -23.757 1.00 70.93 ? 246 ILE A CA 1 ATOM 1905 C C . ILE A 1 246 ? -11.873 -33.249 -24.960 1.00 72.70 ? 246 ILE A C 1 ATOM 1906 O O . ILE A 1 246 ? -11.960 -32.384 -25.847 1.00 75.24 ? 246 ILE A O 1 ATOM 1907 C CB . ILE A 1 246 ? -9.593 -33.644 -24.052 1.00 69.71 ? 246 ILE A CB 1 ATOM 1908 C CG1 . ILE A 1 246 ? -8.776 -33.690 -22.766 1.00 68.10 ? 246 ILE A CG1 1 ATOM 1909 C CG2 . ILE A 1 246 ? -8.871 -32.826 -25.119 1.00 68.93 ? 246 ILE A CG2 1 ATOM 1910 C CD1 . ILE A 1 246 ? -7.493 -34.457 -22.892 1.00 65.93 ? 246 ILE A CD1 1 HETATM 1911 C C1 . NAG B 2 . ? 9.961 -42.456 -31.678 1.00 88.33 ? 301 NAG A C1 1 HETATM 1912 C C2 . NAG B 2 . ? 10.176 -42.372 -33.204 1.00 88.98 ? 301 NAG A C2 1 HETATM 1913 C C3 . NAG B 2 . ? 11.664 -42.147 -33.556 1.00 88.97 ? 301 NAG A C3 1 HETATM 1914 C C4 . NAG B 2 . ? 12.243 -40.992 -32.734 1.00 88.73 ? 301 NAG A C4 1 HETATM 1915 C C5 . NAG B 2 . ? 12.018 -41.295 -31.245 1.00 87.78 ? 301 NAG A C5 1 HETATM 1916 C C6 . NAG B 2 . ? 12.631 -40.266 -30.324 1.00 86.48 ? 301 NAG A C6 1 HETATM 1917 C C7 . NAG B 2 . ? 8.639 -43.722 -34.523 1.00 87.65 ? 301 NAG A C7 1 HETATM 1918 C C8 . NAG B 2 . ? 8.289 -45.094 -35.101 1.00 86.04 ? 301 NAG A C8 1 HETATM 1919 N N2 . NAG B 2 . ? 9.753 -43.633 -33.796 1.00 88.76 ? 301 NAG A N2 1 HETATM 1920 O O3 . NAG B 2 . ? 11.788 -41.854 -34.942 1.00 88.70 ? 301 NAG A O3 1 HETATM 1921 O O4 . NAG B 2 . ? 13.629 -40.820 -33.033 1.00 89.64 ? 301 NAG A O4 1 HETATM 1922 O O5 . NAG B 2 . ? 10.598 -41.364 -30.973 1.00 87.20 ? 301 NAG A O5 1 HETATM 1923 O O6 . NAG B 2 . ? 11.849 -39.082 -30.269 1.00 86.04 ? 301 NAG A O6 1 HETATM 1924 O O7 . NAG B 2 . ? 7.902 -42.751 -34.749 1.00 86.61 ? 301 NAG A O7 1 HETATM 1925 C C1 . GOL C 3 . ? 13.069 -14.012 -4.137 1.00 70.36 ? 302 GOL A C1 1 HETATM 1926 O O1 . GOL C 3 . ? 12.067 -13.015 -4.230 1.00 69.19 ? 302 GOL A O1 1 HETATM 1927 C C2 . GOL C 3 . ? 12.603 -14.836 -2.967 1.00 70.56 ? 302 GOL A C2 1 HETATM 1928 O O2 . GOL C 3 . ? 11.616 -14.050 -2.300 1.00 67.95 ? 302 GOL A O2 1 HETATM 1929 C C3 . GOL C 3 . ? 13.775 -15.196 -2.064 1.00 69.56 ? 302 GOL A C3 1 HETATM 1930 O O3 . GOL C 3 . ? 13.808 -14.407 -0.867 1.00 72.15 ? 302 GOL A O3 1 HETATM 1931 C C1 . GOL D 3 . ? 8.596 -38.181 -14.929 1.00 70.93 ? 303 GOL A C1 1 HETATM 1932 O O1 . GOL D 3 . ? 8.297 -37.534 -16.164 1.00 72.47 ? 303 GOL A O1 1 HETATM 1933 C C2 . GOL D 3 . ? 7.522 -39.215 -14.718 1.00 70.40 ? 303 GOL A C2 1 HETATM 1934 O O2 . GOL D 3 . ? 8.163 -40.482 -14.584 1.00 74.82 ? 303 GOL A O2 1 HETATM 1935 C C3 . GOL D 3 . ? 6.750 -38.877 -13.464 1.00 73.11 ? 303 GOL A C3 1 HETATM 1936 O O3 . GOL D 3 . ? 7.668 -38.920 -12.378 1.00 71.89 ? 303 GOL A O3 1 HETATM 1937 O O . HOH E 4 . ? -17.823 -18.225 -2.485 1.00 67.13 ? 401 HOH A O 1 HETATM 1938 O O . HOH E 4 . ? 8.081 -25.027 0.104 1.00 53.60 ? 402 HOH A O 1 HETATM 1939 O O . HOH E 4 . ? -0.038 -50.013 -26.968 1.00 79.39 ? 403 HOH A O 1 HETATM 1940 O O . HOH E 4 . ? -17.084 -15.446 -1.409 1.00 59.29 ? 404 HOH A O 1 HETATM 1941 O O . HOH E 4 . ? -5.831 -45.829 -29.843 1.00 61.08 ? 405 HOH A O 1 HETATM 1942 O O . HOH E 4 . ? -10.950 -7.171 1.115 1.00 59.70 ? 406 HOH A O 1 HETATM 1943 O O . HOH E 4 . ? -18.631 -13.313 0.011 1.00 85.50 ? 407 HOH A O 1 HETATM 1944 O O . HOH E 4 . ? -15.334 -7.134 -11.703 1.00 48.20 ? 408 HOH A O 1 HETATM 1945 O O . HOH E 4 . ? 8.553 -9.046 -12.974 1.00 67.21 ? 409 HOH A O 1 HETATM 1946 O O . HOH E 4 . ? 18.458 -12.690 -20.022 1.00 72.39 ? 410 HOH A O 1 HETATM 1947 O O . HOH E 4 . ? -19.854 -11.567 -7.864 1.00 52.77 ? 411 HOH A O 1 HETATM 1948 O O . HOH E 4 . ? 3.520 -52.770 -27.896 1.00 80.50 ? 412 HOH A O 1 HETATM 1949 O O . HOH E 4 . ? -19.457 -14.655 4.151 1.00 81.83 ? 413 HOH A O 1 HETATM 1950 O O . HOH E 4 . ? 5.977 -9.894 -13.980 1.00 48.52 ? 414 HOH A O 1 HETATM 1951 O O . HOH E 4 . ? 5.549 -3.325 -21.789 1.00 82.05 ? 415 HOH A O 1 HETATM 1952 O O . HOH E 4 . ? 0.139 -7.152 -13.020 1.00 62.37 ? 416 HOH A O 1 HETATM 1953 O O . HOH E 4 . ? 18.877 -22.983 -2.608 1.00 68.00 ? 417 HOH A O 1 HETATM 1954 O O . HOH E 4 . ? 16.905 -24.305 1.700 1.00 67.03 ? 418 HOH A O 1 HETATM 1955 O O . HOH E 4 . ? -16.406 -10.450 -20.389 1.00 86.87 ? 419 HOH A O 1 HETATM 1956 O O . HOH E 4 . ? 16.150 -12.153 -17.368 1.00 59.67 ? 420 HOH A O 1 HETATM 1957 O O . HOH E 4 . ? -6.080 -0.219 -7.196 1.00 70.29 ? 421 HOH A O 1 HETATM 1958 O O . HOH E 4 . ? 4.753 -33.585 -0.816 1.00 65.15 ? 422 HOH A O 1 HETATM 1959 O O . HOH E 4 . ? 2.974 -27.008 1.363 1.00 97.57 ? 423 HOH A O 1 HETATM 1960 O O . HOH E 4 . ? -8.069 -42.195 -20.589 1.00 73.29 ? 424 HOH A O 1 HETATM 1961 O O . HOH E 4 . ? 6.440 -8.067 -0.559 1.00 74.84 ? 425 HOH A O 1 HETATM 1962 O O . HOH E 4 . ? -21.172 -15.471 -10.704 1.00 95.88 ? 426 HOH A O 1 HETATM 1963 O O . HOH E 4 . ? -1.147 -44.143 -35.205 1.00 85.61 ? 427 HOH A O 1 HETATM 1964 O O . HOH E 4 . ? 5.740 -7.310 -3.613 1.00 70.23 ? 428 HOH A O 1 HETATM 1965 O O . HOH E 4 . ? 10.661 -19.759 2.971 1.00 78.58 ? 429 HOH A O 1 HETATM 1966 O O . HOH E 4 . ? 8.798 -5.126 0.893 1.00 82.37 ? 430 HOH A O 1 HETATM 1967 O O . HOH E 4 . ? -2.829 0.849 -11.520 1.00 78.15 ? 431 HOH A O 1 HETATM 1968 O O . HOH E 4 . ? -9.631 -2.070 -11.127 1.00 65.46 ? 432 HOH A O 1 HETATM 1969 O O . HOH E 4 . ? 13.058 -10.884 -19.541 1.00 53.90 ? 433 HOH A O 1 HETATM 1970 O O . HOH E 4 . ? -9.087 -5.111 -18.830 1.00 69.93 ? 434 HOH A O 1 HETATM 1971 O O . HOH E 4 . ? 23.208 -13.675 -16.516 1.00 74.53 ? 435 HOH A O 1 HETATM 1972 O O . HOH E 4 . ? -19.584 -6.390 2.085 1.00 98.35 ? 436 HOH A O 1 HETATM 1973 O O . HOH E 4 . ? 1.187 -49.202 -34.502 1.00 58.63 ? 437 HOH A O 1 HETATM 1974 O O . HOH E 4 . ? 1.460 -29.292 2.694 1.00 85.38 ? 438 HOH A O 1 HETATM 1975 O O . HOH E 4 . ? 1.916 -8.445 -10.988 1.00 67.10 ? 439 HOH A O 1 HETATM 1976 O O . HOH E 4 . ? -18.360 -14.461 7.268 1.00 90.91 ? 440 HOH A O 1 HETATM 1977 O O . HOH E 4 . ? -0.640 -3.460 -8.722 1.00 68.31 ? 441 HOH A O 1 HETATM 1978 O O . HOH E 4 . ? -10.285 -38.094 -31.367 1.00 89.79 ? 442 HOH A O 1 HETATM 1979 O O . HOH E 4 . ? -24.735 -21.909 -11.748 1.00 71.76 ? 443 HOH A O 1 HETATM 1980 O O . HOH E 4 . ? 13.933 -20.128 -35.476 1.00 85.21 ? 444 HOH A O 1 HETATM 1981 O O . HOH E 4 . ? -7.034 -47.325 -21.781 1.00 88.68 ? 445 HOH A O 1 HETATM 1982 O O . HOH E 4 . ? -8.804 -4.309 -2.117 1.00 84.21 ? 446 HOH A O 1 HETATM 1983 O O . HOH E 4 . ? 4.489 -26.605 -36.663 1.00 70.63 ? 447 HOH A O 1 HETATM 1984 O O . HOH E 4 . ? 20.030 -20.611 -0.830 1.00 62.92 ? 448 HOH A O 1 HETATM 1985 O O . HOH E 4 . ? 4.058 -21.552 -29.009 1.00 66.60 ? 449 HOH A O 1 HETATM 1986 O O . HOH E 4 . ? 9.808 -13.918 8.006 1.00 77.03 ? 450 HOH A O 1 HETATM 1987 O O . HOH E 4 . ? 2.606 -8.488 -14.411 1.00 66.83 ? 451 HOH A O 1 HETATM 1988 O O . HOH E 4 . ? 20.914 -24.963 -34.768 1.00 78.85 ? 452 HOH A O 1 HETATM 1989 O O . HOH E 4 . ? -18.553 -16.803 -12.212 1.00 64.59 ? 453 HOH A O 1 HETATM 1990 O O . HOH E 4 . ? -3.388 -2.394 -9.102 1.00 61.08 ? 454 HOH A O 1 HETATM 1991 O O . HOH E 4 . ? -7.672 -8.640 -6.630 1.00 44.49 ? 455 HOH A O 1 HETATM 1992 O O . HOH E 4 . ? 10.516 -28.497 -25.521 1.00 82.13 ? 456 HOH A O 1 HETATM 1993 O O . HOH E 4 . ? -6.339 -12.920 2.164 1.00 61.82 ? 457 HOH A O 1 HETATM 1994 O O . HOH E 4 . ? 13.225 -37.002 -26.610 1.00 58.71 ? 458 HOH A O 1 HETATM 1995 O O . HOH E 4 . ? 10.156 -20.984 0.348 1.00 52.58 ? 459 HOH A O 1 HETATM 1996 O O . HOH E 4 . ? -13.680 -12.827 -21.119 1.00 87.17 ? 460 HOH A O 1 HETATM 1997 O O . HOH E 4 . ? 7.813 -22.282 1.448 1.00 51.00 ? 461 HOH A O 1 HETATM 1998 O O . HOH E 4 . ? 4.531 -14.507 -18.895 1.00 45.47 ? 462 HOH A O 1 HETATM 1999 O O . HOH E 4 . ? -15.604 -22.630 2.091 1.00 67.70 ? 463 HOH A O 1 HETATM 2000 O O . HOH E 4 . ? 3.771 -36.110 -11.155 1.00 60.97 ? 464 HOH A O 1 HETATM 2001 O O . HOH E 4 . ? 0.901 -47.711 -19.579 1.00 73.10 ? 465 HOH A O 1 HETATM 2002 O O . HOH E 4 . ? 10.815 -20.082 -19.189 1.00 69.96 ? 466 HOH A O 1 HETATM 2003 O O . HOH E 4 . ? 17.919 -25.129 -13.380 1.00 63.39 ? 467 HOH A O 1 HETATM 2004 O O . HOH E 4 . ? -15.416 -26.062 -11.074 1.00 78.85 ? 468 HOH A O 1 HETATM 2005 O O . HOH E 4 . ? -7.553 -1.908 -14.128 1.00 78.37 ? 469 HOH A O 1 HETATM 2006 O O . HOH E 4 . ? -3.325 -28.672 -26.865 1.00 60.98 ? 470 HOH A O 1 HETATM 2007 O O . HOH E 4 . ? -7.500 -35.316 -10.159 1.00 38.97 ? 471 HOH A O 1 HETATM 2008 O O . HOH E 4 . ? 15.253 -18.944 -20.521 1.00 83.76 ? 472 HOH A O 1 HETATM 2009 O O . HOH E 4 . ? 1.777 -46.410 -16.414 1.00 71.39 ? 473 HOH A O 1 HETATM 2010 O O . HOH E 4 . ? -8.623 -34.642 -15.829 1.00 48.27 ? 474 HOH A O 1 HETATM 2011 O O . HOH E 4 . ? -12.628 -21.925 1.405 1.00 72.24 ? 475 HOH A O 1 HETATM 2012 O O . HOH E 4 . ? -9.029 -7.393 -1.379 1.00 54.77 ? 476 HOH A O 1 HETATM 2013 O O . HOH E 4 . ? -10.181 -6.089 -16.294 1.00 76.31 ? 477 HOH A O 1 HETATM 2014 O O . HOH E 4 . ? 6.798 -15.160 2.282 1.00 64.53 ? 478 HOH A O 1 HETATM 2015 O O . HOH E 4 . ? -10.808 -9.758 -22.340 1.00 65.88 ? 479 HOH A O 1 HETATM 2016 O O . HOH E 4 . ? -2.807 -10.940 4.663 1.00 65.66 ? 480 HOH A O 1 HETATM 2017 O O . HOH E 4 . ? 6.856 -33.727 -7.453 1.00 81.61 ? 481 HOH A O 1 HETATM 2018 O O . HOH E 4 . ? 16.994 -21.491 -19.990 1.00 71.66 ? 482 HOH A O 1 HETATM 2019 O O . HOH E 4 . ? -1.882 -47.207 -12.801 1.00 72.75 ? 483 HOH A O 1 HETATM 2020 O O . HOH E 4 . ? -1.868 -6.351 -16.790 1.00 58.29 ? 484 HOH A O 1 HETATM 2021 O O . HOH E 4 . ? 6.498 -41.622 -18.968 1.00 62.80 ? 485 HOH A O 1 HETATM 2022 O O . HOH E 4 . ? 16.560 -14.372 -15.383 1.00 76.91 ? 486 HOH A O 1 HETATM 2023 O O . HOH E 4 . ? -6.459 -41.602 -12.140 1.00 68.64 ? 487 HOH A O 1 HETATM 2024 O O . HOH E 4 . ? 0.398 -32.240 -0.771 1.00 71.15 ? 488 HOH A O 1 HETATM 2025 O O . HOH E 4 . ? -3.695 -26.873 -23.175 1.00 59.32 ? 489 HOH A O 1 HETATM 2026 O O . HOH E 4 . ? -5.922 -6.883 -8.232 1.00 54.56 ? 490 HOH A O 1 HETATM 2027 O O . HOH E 4 . ? 13.337 -16.694 -22.192 1.00 79.36 ? 491 HOH A O 1 HETATM 2028 O O . HOH E 4 . ? 8.577 -38.495 -30.302 1.00 55.07 ? 492 HOH A O 1 HETATM 2029 O O . HOH E 4 . ? -12.072 -13.964 5.115 1.00 86.18 ? 493 HOH A O 1 HETATM 2030 O O . HOH E 4 . ? -17.734 -29.545 -7.259 1.00 89.91 ? 494 HOH A O 1 HETATM 2031 O O . HOH E 4 . ? -10.191 -42.423 -16.407 1.00 56.67 ? 495 HOH A O 1 HETATM 2032 O O . HOH E 4 . ? 17.576 -16.371 -10.616 1.00 59.56 ? 496 HOH A O 1 HETATM 2033 O O . HOH E 4 . ? -4.811 -34.463 -29.656 1.00 82.87 ? 497 HOH A O 1 HETATM 2034 O O . HOH E 4 . ? -0.502 -18.669 -27.247 1.00 93.84 ? 498 HOH A O 1 HETATM 2035 O O . HOH E 4 . ? 0.220 -15.822 -26.436 1.00 89.89 ? 499 HOH A O 1 HETATM 2036 O O . HOH E 4 . ? -16.793 -22.030 -17.116 1.00 62.26 ? 500 HOH A O 1 HETATM 2037 O O . HOH E 4 . ? -3.817 -13.150 -26.934 1.00 83.57 ? 501 HOH A O 1 HETATM 2038 O O . HOH E 4 . ? -3.795 -17.580 5.057 1.00 71.66 ? 502 HOH A O 1 HETATM 2039 O O . HOH E 4 . ? -12.029 -25.412 -14.334 1.00 75.83 ? 503 HOH A O 1 HETATM 2040 O O . HOH E 4 . ? -20.222 -17.336 -14.609 1.00 86.12 ? 504 HOH A O 1 HETATM 2041 O O . HOH E 4 . ? 13.186 -29.190 -4.458 1.00 62.57 ? 505 HOH A O 1 HETATM 2042 O O . HOH E 4 . ? 2.060 -37.021 -7.941 1.00 76.58 ? 506 HOH A O 1 HETATM 2043 O O . HOH E 4 . ? -11.924 -9.804 -27.544 1.00 78.11 ? 507 HOH A O 1 HETATM 2044 O O . HOH E 4 . ? -9.077 -42.693 -13.511 1.00 78.58 ? 508 HOH A O 1 HETATM 2045 O O . HOH E 4 . ? 15.244 -18.377 -23.719 1.00 75.08 ? 509 HOH A O 1 HETATM 2046 O O . HOH E 4 . ? 13.935 -22.728 -24.368 1.00 67.50 ? 510 HOH A O 1 HETATM 2047 O O . HOH E 4 . ? -1.112 -25.858 -19.930 1.00 50.66 ? 511 HOH A O 1 HETATM 2048 O O . HOH E 4 . ? 11.454 -36.825 -14.115 1.00 78.42 ? 512 HOH A O 1 HETATM 2049 O O . HOH E 4 . ? 5.317 -22.698 2.954 1.00 88.20 ? 513 HOH A O 1 HETATM 2050 O O . HOH E 4 . ? 2.683 -40.360 -34.119 1.00 66.60 ? 514 HOH A O 1 HETATM 2051 O O . HOH E 4 . ? -4.026 -0.846 -13.924 1.00 63.68 ? 515 HOH A O 1 HETATM 2052 O O . HOH E 4 . ? 4.742 -16.074 7.171 1.00 78.26 ? 516 HOH A O 1 HETATM 2053 O O . HOH E 4 . ? -8.572 -28.481 -23.079 1.00 93.90 ? 517 HOH A O 1 HETATM 2054 O O . HOH E 4 . ? -1.894 -8.022 -25.897 1.00 70.73 ? 518 HOH A O 1 HETATM 2055 O O . HOH E 4 . ? 14.994 -26.033 -17.533 1.00 95.29 ? 519 HOH A O 1 HETATM 2056 O O . HOH E 4 . ? 13.703 -42.041 -36.133 1.00 72.24 ? 520 HOH A O 1 HETATM 2057 O O . HOH E 4 . ? -1.239 -25.040 4.384 1.00 75.67 ? 521 HOH A O 1 HETATM 2058 O O . HOH E 4 . ? 20.468 -17.753 -11.773 1.00 71.23 ? 522 HOH A O 1 HETATM 2059 O O . HOH E 4 . ? -5.832 -14.331 4.894 1.00 94.78 ? 523 HOH A O 1 HETATM 2060 O O . HOH E 4 . ? 11.827 -31.925 -9.621 1.00 80.63 ? 524 HOH A O 1 HETATM 2061 O O . HOH E 4 . ? -12.392 -26.968 -0.912 1.00 71.96 ? 525 HOH A O 1 HETATM 2062 O O . HOH E 4 . ? 14.695 -29.747 -6.992 1.00 87.79 ? 526 HOH A O 1 HETATM 2063 O O . HOH E 4 . ? 11.203 -32.431 -22.155 1.00 61.74 ? 527 HOH A O 1 HETATM 2064 O O . HOH E 4 . ? -0.687 -2.926 -4.490 1.00 76.97 ? 528 HOH A O 1 HETATM 2065 O O . HOH E 4 . ? -3.421 -14.722 -29.549 1.00 64.26 ? 529 HOH A O 1 HETATM 2066 O O . HOH E 4 . ? -2.127 -32.022 1.492 1.00 73.59 ? 530 HOH A O 1 HETATM 2067 O O . HOH E 4 . ? 0.321 -28.114 -29.743 1.00 64.54 ? 531 HOH A O 1 HETATM 2068 O O . HOH E 4 . ? -12.433 -20.071 -21.895 1.00 80.04 ? 532 HOH A O 1 HETATM 2069 O O . HOH E 4 . ? -15.064 -32.833 -14.812 1.00 79.63 ? 533 HOH A O 1 HETATM 2070 O O . HOH E 4 . ? 2.255 -8.327 6.741 1.00 77.86 ? 534 HOH A O 1 HETATM 2071 O O . HOH E 4 . ? -6.364 -45.039 -18.558 1.00 74.39 ? 535 HOH A O 1 HETATM 2072 O O . HOH E 4 . ? -9.359 -20.884 -15.601 1.00 101.08 ? 536 HOH A O 1 HETATM 2073 O O . HOH E 4 . ? -1.897 -36.913 -5.021 1.00 66.40 ? 537 HOH A O 1 HETATM 2074 O O . HOH E 4 . ? 5.553 -10.849 -29.404 1.00 72.73 ? 538 HOH A O 1 HETATM 2075 O O . HOH E 4 . ? 1.100 -29.700 -32.147 1.00 90.51 ? 539 HOH A O 1 HETATM 2076 O O . HOH E 4 . ? -19.245 -35.492 -11.292 1.00 80.44 ? 540 HOH A O 1 HETATM 2077 O O . HOH E 4 . ? -10.793 -36.707 -25.995 1.00 80.96 ? 541 HOH A O 1 HETATM 2078 O O . HOH E 4 . ? 17.582 -17.025 -16.475 1.00 60.25 ? 542 HOH A O 1 HETATM 2079 O O . HOH E 4 . ? -5.279 -37.402 -37.774 1.00 95.05 ? 543 HOH A O 1 HETATM 2080 O O . HOH E 4 . ? -23.276 -31.382 -5.002 1.00 65.13 ? 544 HOH A O 1 HETATM 2081 O O . HOH E 4 . ? -2.838 -27.774 5.694 1.00 93.71 ? 545 HOH A O 1 HETATM 2082 O O . HOH E 4 . ? 13.357 -29.307 -9.804 1.00 84.47 ? 546 HOH A O 1 HETATM 2083 O O . HOH E 4 . ? -15.368 -33.120 -21.781 1.00 88.86 ? 547 HOH A O 1 HETATM 2084 O O . HOH E 4 . ? -5.395 -32.856 -1.669 1.00 83.22 ? 548 HOH A O 1 HETATM 2085 O O . HOH E 4 . ? 8.749 -15.352 -24.707 1.00 59.93 ? 549 HOH A O 1 HETATM 2086 O O . HOH E 4 . ? 1.568 -26.025 4.640 1.00 101.08 ? 550 HOH A O 1 HETATM 2087 O O . HOH E 4 . ? 7.974 -11.177 -27.495 1.00 62.99 ? 551 HOH A O 1 HETATM 2088 O O . HOH E 4 . ? -15.542 -14.357 -20.271 1.00 91.49 ? 552 HOH A O 1 HETATM 2089 O O . HOH E 4 . ? -2.928 -10.538 -26.782 1.00 72.53 ? 553 HOH A O 1 HETATM 2090 O O . HOH E 4 . ? 8.719 -30.480 -7.287 1.00 97.65 ? 554 HOH A O 1 HETATM 2091 O O . HOH E 4 . ? -5.122 -26.229 -20.916 1.00 68.33 ? 555 HOH A O 1 HETATM 2092 O O . HOH E 4 . ? 12.399 -45.198 -35.079 1.00 71.20 ? 556 HOH A O 1 HETATM 2093 O O . HOH E 4 . ? 16.470 -26.605 -11.002 1.00 81.32 ? 557 HOH A O 1 HETATM 2094 O O . HOH E 4 . ? -6.203 -15.992 2.118 1.00 70.75 ? 558 HOH A O 1 HETATM 2095 O O . HOH E 4 . ? -18.056 -15.329 -9.653 1.00 84.12 ? 559 HOH A O 1 HETATM 2096 O O . HOH E 4 . ? 7.585 -38.164 -9.655 1.00 76.23 ? 560 HOH A O 1 HETATM 2097 O O . HOH E 4 . ? 12.898 -30.992 -18.053 1.00 85.61 ? 561 HOH A O 1 HETATM 2098 O O . HOH E 4 . ? 15.120 -29.308 -19.448 1.00 76.54 ? 562 HOH A O 1 HETATM 2099 O O . HOH E 4 . ? -6.636 -31.940 -27.665 1.00 69.31 ? 563 HOH A O 1 HETATM 2100 O O . HOH E 4 . ? 4.417 -9.948 -11.453 1.00 52.72 ? 564 HOH A O 1 HETATM 2101 O O . HOH E 4 . ? -2.098 -29.779 -29.486 1.00 73.78 ? 565 HOH A O 1 HETATM 2102 O O . HOH E 4 . ? 6.865 -15.714 4.950 1.00 67.84 ? 566 HOH A O 1 HETATM 2103 O O . HOH E 4 . ? 7.499 -13.039 6.360 1.00 74.60 ? 567 HOH A O 1 HETATM 2104 O O . HOH E 4 . ? -11.585 -29.365 -23.549 1.00 94.69 ? 568 HOH A O 1 HETATM 2105 O O . HOH E 4 . ? -13.830 -16.293 -22.368 1.00 72.97 ? 569 HOH A O 1 HETATM 2106 O O . HOH E 4 . ? -4.926 -7.476 -26.039 1.00 91.93 ? 570 HOH A O 1 HETATM 2107 O O . HOH E 4 . ? -5.523 -37.886 -32.462 1.00 86.67 ? 571 HOH A O 1 HETATM 2108 O O . HOH E 4 . ? -0.671 -22.284 5.630 1.00 78.79 ? 572 HOH A O 1 HETATM 2109 O O . HOH E 4 . ? 7.165 -43.768 -21.095 1.00 75.79 ? 573 HOH A O 1 HETATM 2110 O O . HOH E 4 . ? 18.935 -19.778 -9.057 1.00 69.83 ? 574 HOH A O 1 HETATM 2111 O O . HOH E 4 . ? 15.134 -29.032 -24.526 1.00 69.06 ? 575 HOH A O 1 HETATM 2112 O O . HOH E 4 . ? 4.775 -38.836 -3.554 1.00 82.20 ? 576 HOH A O 1 HETATM 2113 O O . HOH E 4 . ? -4.176 -36.244 -2.723 1.00 65.70 ? 577 HOH A O 1 HETATM 2114 O O . HOH E 4 . ? -3.827 -40.588 -4.608 1.00 72.63 ? 578 HOH A O 1 HETATM 2115 O O . HOH E 4 . ? -2.821 -4.103 -6.528 1.00 76.52 ? 579 HOH A O 1 HETATM 2116 O O . HOH E 4 . ? 15.702 -41.147 -31.140 1.00 84.91 ? 580 HOH A O 1 HETATM 2117 O O . HOH E 4 . ? 15.835 -38.516 -32.984 1.00 78.80 ? 581 HOH A O 1 HETATM 2118 O O . HOH E 4 . ? -10.873 -31.857 -29.030 1.00 101.08 ? 582 HOH A O 1 HETATM 2119 O O . HOH E 4 . ? -11.069 -43.231 -8.882 1.00 62.15 ? 583 HOH A O 1 HETATM 2120 O O . HOH E 4 . ? -22.938 -25.988 -1.166 1.00 82.15 ? 584 HOH A O 1 HETATM 2121 O O . HOH E 4 . ? -10.952 -29.114 -19.125 1.00 83.79 ? 585 HOH A O 1 HETATM 2122 O O . HOH E 4 . ? -1.066 -40.503 -38.054 1.00 81.41 ? 586 HOH A O 1 HETATM 2123 O O . HOH E 4 . ? 1.404 -4.819 -25.696 1.00 72.74 ? 587 HOH A O 1 HETATM 2124 O O . HOH E 4 . ? 9.291 -7.592 -21.445 1.00 70.88 ? 588 HOH A O 1 HETATM 2125 O O . HOH E 4 . ? -13.181 -30.539 -15.538 1.00 74.33 ? 589 HOH A O 1 HETATM 2126 O O . HOH E 4 . ? 8.589 -16.790 6.880 1.00 62.19 ? 590 HOH A O 1 HETATM 2127 O O . HOH E 4 . ? -4.230 -23.381 -15.185 1.00 80.91 ? 591 HOH A O 1 HETATM 2128 O O . HOH E 4 . ? -8.630 -22.843 -20.327 1.00 97.46 ? 592 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 TYR 14 14 14 TYR TYR A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ASP 20 20 20 ASP ASP A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ASN 33 33 33 ASN ASN A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASP 56 56 56 ASP ASP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 MET 72 72 72 MET MET A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 THR 79 79 79 THR THR A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ALA 91 91 91 ALA ALA A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 ARG 97 97 97 ARG ARG A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ILE 103 103 103 ILE ILE A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ILE 125 125 125 ILE ILE A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 ASP 133 133 133 ASP ASP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 HIS 141 141 141 HIS HIS A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 LYS 165 165 165 LYS LYS A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ILE 167 167 167 ILE ILE A . n A 1 168 GLU 168 168 168 GLU GLU A . n A 1 169 GLN 169 169 169 GLN GLN A . n A 1 170 GLN 170 170 170 GLN GLN A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 GLU 173 173 173 GLU GLU A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 PRO 181 181 181 PRO PRO A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 ILE 186 186 186 ILE ILE A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 GLN 198 198 198 GLN GLN A . n A 1 199 ILE 199 199 199 ILE ILE A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 ASN 206 206 206 ASN ASN A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ARG 210 210 210 ARG ARG A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 VAL 216 216 216 VAL VAL A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 ASN 221 221 221 ASN ASN A . n A 1 222 ARG 222 222 222 ARG ARG A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ASN 227 227 227 ASN ASN A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 ASN 236 236 236 ASN ASN A . n A 1 237 ILE 237 237 237 ILE ILE A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 LEU 240 240 240 LEU LEU A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LYS 244 244 244 LYS LYS A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 ILE 246 246 246 ILE ILE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 GOL 1 302 247 GOL GOL A . D 3 GOL 1 303 248 GOL GOL A . E 4 HOH 1 401 38 HOH HOH A . E 4 HOH 2 402 60 HOH HOH A . E 4 HOH 3 403 32 HOH HOH A . E 4 HOH 4 404 19 HOH HOH A . E 4 HOH 5 405 71 HOH HOH A . E 4 HOH 6 406 102 HOH HOH A . E 4 HOH 7 407 62 HOH HOH A . E 4 HOH 8 408 8 HOH HOH A . E 4 HOH 9 409 21 HOH HOH A . E 4 HOH 10 410 158 HOH HOH A . E 4 HOH 11 411 9 HOH HOH A . E 4 HOH 12 412 114 HOH HOH A . E 4 HOH 13 413 120 HOH HOH A . E 4 HOH 14 414 30 HOH HOH A . E 4 HOH 15 415 72 HOH HOH A . E 4 HOH 16 416 79 HOH HOH A . E 4 HOH 17 417 89 HOH HOH A . E 4 HOH 18 418 221 HOH HOH A . E 4 HOH 19 419 208 HOH HOH A . E 4 HOH 20 420 178 HOH HOH A . E 4 HOH 21 421 96 HOH HOH A . E 4 HOH 22 422 206 HOH HOH A . E 4 HOH 23 423 11 HOH HOH A . E 4 HOH 24 424 144 HOH HOH A . E 4 HOH 25 425 42 HOH HOH A . E 4 HOH 26 426 198 HOH HOH A . E 4 HOH 27 427 152 HOH HOH A . E 4 HOH 28 428 77 HOH HOH A . E 4 HOH 29 429 34 HOH HOH A . E 4 HOH 30 430 117 HOH HOH A . E 4 HOH 31 431 234 HOH HOH A . E 4 HOH 32 432 33 HOH HOH A . E 4 HOH 33 433 85 HOH HOH A . E 4 HOH 34 434 70 HOH HOH A . E 4 HOH 35 435 180 HOH HOH A . E 4 HOH 36 436 73 HOH HOH A . E 4 HOH 37 437 124 HOH HOH A . E 4 HOH 38 438 91 HOH HOH A . E 4 HOH 39 439 40 HOH HOH A . E 4 HOH 40 440 151 HOH HOH A . E 4 HOH 41 441 177 HOH HOH A . E 4 HOH 42 442 127 HOH HOH A . E 4 HOH 43 443 246 HOH HOH A . E 4 HOH 44 444 245 HOH HOH A . E 4 HOH 45 445 209 HOH HOH A . E 4 HOH 46 446 87 HOH HOH A . E 4 HOH 47 447 184 HOH HOH A . E 4 HOH 48 448 236 HOH HOH A . E 4 HOH 49 449 76 HOH HOH A . E 4 HOH 50 450 250 HOH HOH A . E 4 HOH 51 451 105 HOH HOH A . E 4 HOH 52 452 167 HOH HOH A . E 4 HOH 53 453 1 HOH HOH A . E 4 HOH 54 454 2 HOH HOH A . E 4 HOH 55 455 3 HOH HOH A . E 4 HOH 56 456 4 HOH HOH A . E 4 HOH 57 457 5 HOH HOH A . E 4 HOH 58 458 6 HOH HOH A . E 4 HOH 59 459 7 HOH HOH A . E 4 HOH 60 460 10 HOH HOH A . E 4 HOH 61 461 12 HOH HOH A . E 4 HOH 62 462 13 HOH HOH A . E 4 HOH 63 463 15 HOH HOH A . E 4 HOH 64 464 16 HOH HOH A . E 4 HOH 65 465 17 HOH HOH A . E 4 HOH 66 466 18 HOH HOH A . E 4 HOH 67 467 20 HOH HOH A . E 4 HOH 68 468 22 HOH HOH A . E 4 HOH 69 469 23 HOH HOH A . E 4 HOH 70 470 24 HOH HOH A . E 4 HOH 71 471 25 HOH HOH A . E 4 HOH 72 472 26 HOH HOH A . E 4 HOH 73 473 27 HOH HOH A . E 4 HOH 74 474 28 HOH HOH A . E 4 HOH 75 475 31 HOH HOH A . E 4 HOH 76 476 35 HOH HOH A . E 4 HOH 77 477 37 HOH HOH A . E 4 HOH 78 478 39 HOH HOH A . E 4 HOH 79 479 41 HOH HOH A . E 4 HOH 80 480 43 HOH HOH A . E 4 HOH 81 481 44 HOH HOH A . E 4 HOH 82 482 45 HOH HOH A . E 4 HOH 83 483 47 HOH HOH A . E 4 HOH 84 484 48 HOH HOH A . E 4 HOH 85 485 49 HOH HOH A . E 4 HOH 86 486 50 HOH HOH A . E 4 HOH 87 487 51 HOH HOH A . E 4 HOH 88 488 52 HOH HOH A . E 4 HOH 89 489 54 HOH HOH A . E 4 HOH 90 490 55 HOH HOH A . E 4 HOH 91 491 56 HOH HOH A . E 4 HOH 92 492 57 HOH HOH A . E 4 HOH 93 493 58 HOH HOH A . E 4 HOH 94 494 59 HOH HOH A . E 4 HOH 95 495 61 HOH HOH A . E 4 HOH 96 496 63 HOH HOH A . E 4 HOH 97 497 64 HOH HOH A . E 4 HOH 98 498 65 HOH HOH A . E 4 HOH 99 499 69 HOH HOH A . E 4 HOH 100 500 74 HOH HOH A . E 4 HOH 101 501 75 HOH HOH A . E 4 HOH 102 502 80 HOH HOH A . E 4 HOH 103 503 81 HOH HOH A . E 4 HOH 104 504 82 HOH HOH A . E 4 HOH 105 505 83 HOH HOH A . E 4 HOH 106 506 84 HOH HOH A . E 4 HOH 107 507 90 HOH HOH A . E 4 HOH 108 508 94 HOH HOH A . E 4 HOH 109 509 97 HOH HOH A . E 4 HOH 110 510 98 HOH HOH A . E 4 HOH 111 511 99 HOH HOH A . E 4 HOH 112 512 100 HOH HOH A . E 4 HOH 113 513 101 HOH HOH A . E 4 HOH 114 514 103 HOH HOH A . E 4 HOH 115 515 104 HOH HOH A . E 4 HOH 116 516 106 HOH HOH A . E 4 HOH 117 517 107 HOH HOH A . E 4 HOH 118 518 108 HOH HOH A . E 4 HOH 119 519 109 HOH HOH A . E 4 HOH 120 520 110 HOH HOH A . E 4 HOH 121 521 111 HOH HOH A . E 4 HOH 122 522 112 HOH HOH A . E 4 HOH 123 523 113 HOH HOH A . E 4 HOH 124 524 115 HOH HOH A . E 4 HOH 125 525 116 HOH HOH A . E 4 HOH 126 526 119 HOH HOH A . E 4 HOH 127 527 121 HOH HOH A . E 4 HOH 128 528 123 HOH HOH A . E 4 HOH 129 529 126 HOH HOH A . E 4 HOH 130 530 128 HOH HOH A . E 4 HOH 131 531 129 HOH HOH A . E 4 HOH 132 532 130 HOH HOH A . E 4 HOH 133 533 131 HOH HOH A . E 4 HOH 134 534 132 HOH HOH A . E 4 HOH 135 535 133 HOH HOH A . E 4 HOH 136 536 134 HOH HOH A . E 4 HOH 137 537 138 HOH HOH A . E 4 HOH 138 538 139 HOH HOH A . E 4 HOH 139 539 140 HOH HOH A . E 4 HOH 140 540 142 HOH HOH A . E 4 HOH 141 541 143 HOH HOH A . E 4 HOH 142 542 145 HOH HOH A . E 4 HOH 143 543 147 HOH HOH A . E 4 HOH 144 544 148 HOH HOH A . E 4 HOH 145 545 149 HOH HOH A . E 4 HOH 146 546 150 HOH HOH A . E 4 HOH 147 547 154 HOH HOH A . E 4 HOH 148 548 157 HOH HOH A . E 4 HOH 149 549 160 HOH HOH A . E 4 HOH 150 550 162 HOH HOH A . E 4 HOH 151 551 163 HOH HOH A . E 4 HOH 152 552 164 HOH HOH A . E 4 HOH 153 553 168 HOH HOH A . E 4 HOH 154 554 169 HOH HOH A . E 4 HOH 155 555 170 HOH HOH A . E 4 HOH 156 556 171 HOH HOH A . E 4 HOH 157 557 173 HOH HOH A . E 4 HOH 158 558 174 HOH HOH A . E 4 HOH 159 559 175 HOH HOH A . E 4 HOH 160 560 185 HOH HOH A . E 4 HOH 161 561 186 HOH HOH A . E 4 HOH 162 562 187 HOH HOH A . E 4 HOH 163 563 189 HOH HOH A . E 4 HOH 164 564 190 HOH HOH A . E 4 HOH 165 565 192 HOH HOH A . E 4 HOH 166 566 195 HOH HOH A . E 4 HOH 167 567 196 HOH HOH A . E 4 HOH 168 568 197 HOH HOH A . E 4 HOH 169 569 200 HOH HOH A . E 4 HOH 170 570 202 HOH HOH A . E 4 HOH 171 571 204 HOH HOH A . E 4 HOH 172 572 205 HOH HOH A . E 4 HOH 173 573 210 HOH HOH A . E 4 HOH 174 574 213 HOH HOH A . E 4 HOH 175 575 214 HOH HOH A . E 4 HOH 176 576 216 HOH HOH A . E 4 HOH 177 577 218 HOH HOH A . E 4 HOH 178 578 219 HOH HOH A . E 4 HOH 179 579 223 HOH HOH A . E 4 HOH 180 580 224 HOH HOH A . E 4 HOH 181 581 225 HOH HOH A . E 4 HOH 182 582 227 HOH HOH A . E 4 HOH 183 583 228 HOH HOH A . E 4 HOH 184 584 230 HOH HOH A . E 4 HOH 185 585 235 HOH HOH A . E 4 HOH 186 586 238 HOH HOH A . E 4 HOH 187 587 239 HOH HOH A . E 4 HOH 188 588 243 HOH HOH A . E 4 HOH 189 589 244 HOH HOH A . E 4 HOH 190 590 249 HOH HOH A . E 4 HOH 191 591 252 HOH HOH A . E 4 HOH 192 592 255 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 710 ? 1 MORE 1 ? 1 'SSA (A^2)' 11300 ? # _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 2015-09-23 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _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 ? ? ? ? ? ? ? ? ? ? ? CNS ? ? ? 1.1 1 ? 'data collection' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A LEU 77 ? ? CA A LEU 77 ? ? C A LEU 77 ? ? 93.88 110.20 -16.32 1.90 N 2 1 N A LEU 77 ? ? CA A LEU 77 ? ? C A LEU 77 ? ? 132.74 111.00 21.74 2.70 N 3 1 CB A ASP 143 ? ? CA A ASP 143 ? ? C A ASP 143 ? ? 126.56 110.40 16.16 2.00 N 4 1 N A ASP 143 ? ? CA A ASP 143 ? ? C A ASP 143 ? ? 79.42 111.00 -31.58 2.70 N 5 1 N A ASN 236 ? ? CA A ASN 236 ? ? C A ASN 236 ? ? 130.50 111.00 19.50 2.70 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 VAL A 66 ? ? -68.50 1.73 2 1 ASN A 68 ? ? -147.38 -1.41 3 1 LEU A 77 ? ? 72.47 -59.79 4 1 LYS A 120 ? ? -171.06 143.50 5 1 ASP A 143 ? ? -175.21 135.11 6 1 THR A 158 ? ? -128.47 -82.49 7 1 SER A 218 ? ? -68.42 49.27 8 1 LYS A 219 ? ? 176.22 28.40 9 1 VAL A 228 ? ? -61.88 1.73 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 water HOH #