data_4LT4 # _entry.id 4LT4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4LT4 RCSB RCSB081052 WWPDB D_1000081052 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3S9Q _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4LT4 _pdbx_database_status.recvd_initial_deposition_date 2013-07-23 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamini, S.' 1 'Pandey, S.' 2 'Bhushan, A.' 3 'Sinha, M.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yamini, S.' 1 primary 'Pandey, S.' 2 primary 'Bhushan, S.' 3 primary 'Sinha, M.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 4LT4 _cell.length_a 130.315 _cell.length_b 130.315 _cell.length_c 39.952 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 9 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4LT4 _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 _symmetry.space_group_name_Hall ? # 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 'rRNA N-glycosidase' 27093.756 1 3.2.2.22 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 4 non-polymer syn ARGININE 175.209 1 ? ? ? ? 5 water nat water 18.015 234 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Ribosome inactivating protein' # _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 ? _entity_src_nat.pdbx_end_seq_num ? _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.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTS YFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAE AARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLL LNTKNI ; _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4LT4 _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.entry_id 4LT4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.41 _exptl_crystal.density_percent_sol 48.95 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.8 _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2013-07-19 _diffrn_detector.details Mirror # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator Graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _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.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97 # _reflns.entry_id 4LT4 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 1.69 _reflns.number_obs 26694 _reflns.number_all 26694 _reflns.percent_possible_obs 99.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.059 _reflns.pdbx_netI_over_sigmaI 57.5 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.70 _reflns_shell.d_res_low 1.73 _reflns_shell.percent_possible_all 99.9 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.586 _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4LT4 _refine.ls_number_reflns_obs 26694 _refine.ls_number_reflns_all 26694 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 32.60 _refine.ls_d_res_high 1.69 _refine.ls_percent_reflns_obs 99.36 _refine.ls_R_factor_obs 0.18687 _refine.ls_R_factor_all 0.18845 _refine.ls_R_factor_R_work 0.18542 _refine.ls_R_factor_R_free 0.21369 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1414 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.968 _refine.correlation_coeff_Fo_to_Fc_free 0.957 _refine.B_iso_mean 30.641 _refine.aniso_B[1][1] -1.05 _refine.aniso_B[2][2] -1.05 _refine.aniso_B[3][3] 3.42 _refine.aniso_B[1][2] -1.05 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3S9Q _refine.pdbx_method_to_determine_struct SAD _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.112 _refine.pdbx_overall_ESU_R_Free 0.106 _refine.overall_SU_ML 0.080 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 2.420 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1911 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 38 _refine_hist.number_atoms_solvent 234 _refine_hist.number_atoms_total 2183 _refine_hist.d_res_high 1.69 _refine_hist.d_res_low 32.60 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.005 0.019 ? 1983 ? 'X-RAY DIFFRACTION' r_bond_other_d 0.001 0.020 ? 1920 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.154 1.981 ? 2696 ? 'X-RAY DIFFRACTION' r_angle_other_deg 0.733 3.000 ? 4390 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 5.024 5.000 ? 245 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 35.258 23.765 ? 85 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 13.160 15.000 ? 325 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 19.257 15.000 ? 14 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.062 0.200 ? 320 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.004 0.021 ? 2238 ? 'X-RAY DIFFRACTION' r_gen_planes_other 0.001 0.020 ? 454 ? 'X-RAY DIFFRACTION' r_mcbond_it 1.032 2.850 ? 986 ? 'X-RAY DIFFRACTION' r_mcbond_other 1.029 2.848 ? 985 ? 'X-RAY DIFFRACTION' r_mcangle_it 1.773 4.266 ? 1229 ? 'X-RAY DIFFRACTION' r_mcangle_other 1.773 4.268 ? 1230 ? 'X-RAY DIFFRACTION' r_scbond_it 1.304 3.096 ? 997 ? 'X-RAY DIFFRACTION' r_scbond_other 1.303 3.096 ? 997 ? 'X-RAY DIFFRACTION' r_scangle_other 2.210 4.559 ? 1468 ? 'X-RAY DIFFRACTION' r_long_range_B_refined 5.457 24.563 ? 2424 ? 'X-RAY DIFFRACTION' r_long_range_B_other 5.217 23.690 ? 2332 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.691 _refine_ls_shell.d_res_low 1.735 _refine_ls_shell.number_reflns_R_work 1966 _refine_ls_shell.R_factor_R_work 0.273 _refine_ls_shell.percent_reflns_obs 94.92 _refine_ls_shell.R_factor_R_free 0.326 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 91 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # _struct.entry_id 4LT4 _struct.title 'Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution' _struct.pdbx_descriptor 'rRNA N-glycosidase (E.C.3.2.2.22)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4LT4 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Ribosome inactivating protein, Complex hydrolase, Ligand binding, Hydrolase, Arginine' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # 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 1 ASP A 10 ? LEU A 25 ? ASP A 10 LEU A 25 1 ? 16 HELX_P HELX_P2 2 SER A 42 ? GLY A 45 ? SER A 42 GLY A 45 5 ? 4 HELX_P HELX_P3 3 GLU A 85 ? SER A 92 ? GLU A 85 SER A 92 1 ? 8 HELX_P HELX_P4 4 ASN A 110 ? GLY A 119 ? ASN A 110 GLY A 119 1 ? 10 HELX_P HELX_P5 5 PRO A 121 ? ILE A 125 ? PRO A 121 ILE A 125 5 ? 5 HELX_P HELX_P6 6 GLY A 128 ? LEU A 140 ? GLY A 128 LEU A 140 1 ? 13 HELX_P HELX_P7 7 ASP A 143 ? THR A 158 ? ASP A 143 THR A 158 1 ? 16 HELX_P HELX_P8 8 THR A 158 ? PHE A 164 ? THR A 158 PHE A 164 1 ? 7 HELX_P HELX_P9 9 PHE A 164 ? ARG A 174 ? PHE A 164 ARG A 174 1 ? 11 HELX_P HELX_P10 10 SER A 182 ? ALA A 202 ? SER A 182 ALA A 202 1 ? 21 HELX_P HELX_P11 11 GLN A 203 ? ASN A 205 ? GLN A 203 ASN A 205 5 ? 3 HELX_P HELX_P12 12 SER A 230 ? SER A 235 ? SER A 230 SER A 235 1 ? 6 HELX_P HELX_P13 13 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 ? _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 1.449 _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 A ? 6 ? B ? 2 ? C ? 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 A 1 2 ? parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? parallel B 1 2 ? anti-parallel C 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 A 1 VAL A 2 ? ARG A 5 ? VAL A 2 ARG A 5 A 2 TYR A 47 ? PHE A 53 ? TYR A 47 PHE A 53 A 3 THR A 59 ? ASP A 65 ? THR A 59 ASP A 65 A 4 ILE A 71 ? ALA A 76 ? ILE A 71 ALA A 76 A 5 THR A 79 ? PHE A 82 ? THR A 79 PHE A 82 A 6 ARG A 101 ? THR A 104 ? ARG A 101 THR A 104 B 1 HIS A 27 ? VAL A 31 ? HIS A 27 VAL A 31 B 2 ILE A 34 ? LEU A 37 ? ILE A 34 LEU A 37 C 1 VAL A 208 ? VAL A 216 ? VAL A 208 VAL A 216 C 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 A 1 2 N VAL A 2 ? N VAL A 2 O HIS A 51 ? O HIS A 51 A 2 3 N LEU A 48 ? N LEU A 48 O VAL A 64 ? O VAL A 64 A 3 4 N THR A 61 ? N THR A 61 O LEU A 75 ? O LEU A 75 A 4 5 N ALA A 76 ? N ALA A 76 O THR A 79 ? O THR A 79 A 5 6 N SER A 80 ? N SER A 80 O ILE A 103 ? O ILE A 103 B 1 2 N VAL A 31 ? N VAL A 31 O ILE A 34 ? O ILE A 34 C 1 2 N LEU A 215 ? N LEU A 215 O VAL A 223 ? O VAL A 223 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 302' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GOL A 303' AC3 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE ARG A 304' AC4 Software ? ? ? ? 7 'BINDING SITE FOR MONO-SACCHARIDE NAG A 301 BOUND TO ASN A 227' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 LEU A 6 ? LEU A 6 . ? 1_555 ? 2 AC1 6 ALA A 9 ? ALA A 9 . ? 1_555 ? 3 AC1 6 ARG A 101 ? ARG A 101 . ? 3_555 ? 4 AC1 6 PRO A 130 ? PRO A 130 . ? 1_555 ? 5 AC1 6 ALA A 175 ? ALA A 175 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 467 . ? 1_555 ? 7 AC2 5 ASN A 33 ? ASN A 33 . ? 1_555 ? 8 AC2 5 THR A 234 ? THR A 234 . ? 1_555 ? 9 AC2 5 SER A 235 ? SER A 235 . ? 1_555 ? 10 AC2 5 GLN A 238 ? GLN A 238 . ? 1_555 ? 11 AC2 5 HOH F . ? HOH A 521 . ? 1_555 ? 12 AC3 10 VAL A 69 ? VAL A 69 . ? 1_555 ? 13 AC3 10 TYR A 70 ? TYR A 70 . ? 1_555 ? 14 AC3 10 ILE A 71 ? ILE A 71 . ? 1_555 ? 15 AC3 10 MET A 72 ? MET A 72 . ? 1_555 ? 16 AC3 10 GLU A 85 ? GLU A 85 . ? 1_555 ? 17 AC3 10 GLY A 109 ? GLY A 109 . ? 1_555 ? 18 AC3 10 ILE A 155 ? ILE A 155 . ? 1_555 ? 19 AC3 10 ALA A 159 ? ALA A 159 . ? 1_555 ? 20 AC3 10 ARG A 163 ? ARG A 163 . ? 1_555 ? 21 AC3 10 HOH F . ? HOH A 631 . ? 1_555 ? 22 AC4 7 THR A 226 ? THR A 226 . ? 1_555 ? 23 AC4 7 ASN A 227 ? ASN A 227 . ? 1_555 ? 24 AC4 7 THR A 229 ? THR A 229 . ? 1_555 ? 25 AC4 7 HOH F . ? HOH A 456 . ? 1_555 ? 26 AC4 7 HOH F . ? HOH A 507 . ? 1_555 ? 27 AC4 7 HOH F . ? HOH A 560 . ? 1_555 ? 28 AC4 7 HOH F . ? HOH A 604 . ? 1_555 ? # _database_PDB_matrix.entry_id 4LT4 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4LT4 _atom_sites.fract_transf_matrix[1][1] 0.007674 _atom_sites.fract_transf_matrix[1][2] 0.004430 _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] 0.008861 _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] 0.025030 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -22.744 -18.028 -28.878 1.00 38.87 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -21.867 -16.933 -28.367 1.00 38.09 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -22.695 -15.690 -28.106 1.00 35.91 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -23.765 -15.514 -28.689 1.00 36.71 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -20.764 -16.591 -29.374 1.00 39.92 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -19.894 -17.787 -29.732 1.00 41.63 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -20.169 -18.906 -29.253 1.00 42.84 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -18.930 -17.604 -30.503 1.00 43.88 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -22.195 -14.833 -27.224 1.00 32.29 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -22.781 -13.516 -27.012 1.00 30.24 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -21.678 -12.486 -27.243 1.00 28.85 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -20.494 -12.808 -27.125 1.00 27.48 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -23.418 -13.380 -25.609 1.00 30.34 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -24.591 -14.341 -25.464 1.00 30.53 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -22.403 -13.623 -24.498 1.00 30.45 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? -22.069 -11.267 -27.602 1.00 28.04 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.118 -10.200 -27.911 1.00 27.79 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -21.538 -8.870 -27.297 1.00 26.83 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -22.728 -8.605 -27.112 1.00 26.60 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -20.972 -10.040 -29.428 1.00 28.74 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -20.495 -11.236 -30.016 1.00 30.97 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -20.546 -8.044 -26.972 1.00 24.91 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.784 -6.680 -26.514 1.00 24.01 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.689 -5.769 -27.053 1.00 24.22 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -18.507 -6.077 -26.942 1.00 22.89 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -20.833 -6.609 -24.986 1.00 23.47 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -21.153 -5.238 -24.438 1.00 22.99 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.232 -4.510 -24.926 1.00 22.74 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -20.392 -4.687 -23.411 1.00 22.75 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -22.529 -3.260 -24.418 1.00 22.60 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -20.689 -3.435 -22.896 1.00 22.82 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -21.760 -2.722 -23.404 1.00 22.75 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -20.104 -4.651 -27.641 1.00 24.85 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -19.189 -3.648 -28.174 1.00 26.34 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -19.245 -2.366 -27.356 1.00 25.63 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -20.315 -1.796 -27.161 1.00 24.09 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -19.551 -3.352 -29.628 1.00 28.78 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -19.127 -4.465 -30.565 1.00 31.62 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -19.776 -4.367 -31.932 1.00 34.43 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -19.230 -5.387 -32.828 1.00 37.01 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -19.609 -6.665 -32.863 1.00 38.87 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -20.564 -7.124 -32.056 1.00 39.58 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -19.028 -7.498 -33.720 1.00 39.78 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? -18.095 -1.900 -26.884 1.00 24.95 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? -18.058 -0.675 -26.095 1.00 25.59 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? -18.181 0.558 -26.990 1.00 26.48 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? -18.554 1.637 -26.523 1.00 27.13 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? -16.792 -0.608 -25.232 1.00 25.94 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? -16.862 -1.283 -23.852 1.00 26.37 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? -17.790 -0.534 -22.904 1.00 26.45 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? -17.273 -2.743 -23.940 1.00 26.79 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? -17.870 0.391 -28.272 1.00 27.53 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -18.001 1.478 -29.231 1.00 28.85 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -19.473 1.756 -29.479 1.00 28.39 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -20.182 0.940 -30.070 1.00 27.78 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -17.303 1.147 -30.547 1.00 30.12 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -17.301 2.287 -31.393 1.00 31.94 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -19.923 2.912 -29.005 1.00 28.13 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -21.321 3.312 -29.120 1.00 27.85 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -22.216 2.725 -28.046 1.00 27.31 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -23.441 2.862 -28.114 1.00 27.66 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -21.619 2.078 -27.047 1.00 26.82 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -22.392 1.461 -25.976 1.00 26.96 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -23.148 2.493 -25.155 1.00 26.97 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -22.662 3.602 -24.915 1.00 26.64 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -21.495 0.636 -25.068 1.00 26.77 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? -24.344 2.109 -24.726 1.00 27.34 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? -25.150 2.930 -23.829 1.00 27.74 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? -25.955 2.008 -22.918 1.00 27.36 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? -25.868 0.787 -23.048 1.00 26.13 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? -26.038 3.903 -24.628 1.00 29.39 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? -27.045 3.206 -25.537 1.00 31.81 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? -27.099 1.956 -25.581 1.00 32.58 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? -27.799 3.934 -26.225 1.00 34.98 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? -26.724 2.574 -21.979 1.00 27.86 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? -27.430 1.663 -21.076 1.00 27.94 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? -28.315 0.640 -21.785 1.00 27.99 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? -28.440 -0.490 -21.317 1.00 27.10 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? -28.270 2.609 -20.225 1.00 28.27 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? -27.456 3.857 -20.171 1.00 28.40 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? -26.845 3.977 -21.540 1.00 28.33 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? -28.911 1.031 -22.907 1.00 28.62 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? -29.763 0.128 -23.667 1.00 29.26 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? -28.980 -1.052 -24.266 1.00 28.15 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? -29.394 -2.201 -24.114 1.00 28.30 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? -30.524 0.898 -24.751 1.00 30.58 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? -31.292 0.022 -25.556 1.00 33.45 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? -27.849 -0.791 -24.923 1.00 26.66 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? -27.089 -1.885 -25.551 1.00 25.85 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? -26.435 -2.803 -24.518 1.00 24.39 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? -26.312 -4.008 -24.740 1.00 24.63 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? -26.041 -1.369 -26.546 1.00 26.37 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? -24.938 -0.771 -25.891 1.00 26.84 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? -26.029 -2.236 -23.389 1.00 23.35 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? -25.511 -3.047 -22.292 1.00 22.94 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? -26.618 -3.955 -21.753 1.00 23.58 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? -26.395 -5.141 -21.499 1.00 23.08 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? -24.952 -2.163 -21.181 1.00 22.86 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? -24.532 -2.940 -19.964 1.00 22.53 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? -23.385 -3.724 -19.977 1.00 22.37 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? -25.288 -2.902 -18.803 1.00 22.18 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? -23.001 -4.443 -18.862 1.00 22.10 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? -24.912 -3.615 -17.685 1.00 22.13 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? -23.769 -4.383 -17.720 1.00 22.01 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? -23.406 -5.079 -16.602 1.00 21.72 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? -27.813 -3.391 -21.584 1.00 24.13 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? -28.974 -4.165 -21.152 1.00 24.81 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? -29.269 -5.331 -22.082 1.00 25.45 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? -29.605 -6.425 -21.626 1.00 25.89 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? -29.132 -5.101 -23.388 1.00 26.56 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? -29.324 -6.159 -24.386 1.00 27.85 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? -28.262 -7.257 -24.278 1.00 26.28 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? -28.569 -8.436 -24.439 1.00 25.23 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? -29.334 -5.575 -25.806 1.00 31.17 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? -30.596 -4.796 -26.136 1.00 34.23 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? -30.719 -4.331 -27.877 1.00 39.97 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? -29.383 -3.151 -28.030 1.00 39.12 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? -27.021 -6.863 -23.997 1.00 23.97 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? -25.929 -7.817 -23.785 1.00 23.35 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? -26.195 -8.705 -22.572 1.00 22.42 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? -26.019 -9.919 -22.629 1.00 22.24 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? -24.609 -7.062 -23.615 1.00 23.61 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? -23.518 -7.857 -22.947 1.00 23.98 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? -23.071 -9.051 -23.493 1.00 24.74 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? -22.909 -7.383 -21.793 1.00 24.91 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? -22.054 -9.770 -22.888 1.00 24.96 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? -21.891 -8.096 -21.184 1.00 25.50 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? -21.464 -9.292 -21.731 1.00 25.34 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? -26.623 -8.098 -21.477 1.00 22.54 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? -26.866 -8.858 -20.263 1.00 22.61 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? -28.052 -9.792 -20.460 1.00 23.50 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? -28.035 -10.921 -19.977 1.00 23.37 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? -27.066 -7.941 -19.043 1.00 22.46 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? -25.777 -7.161 -18.757 1.00 22.64 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? -27.468 -8.747 -17.816 1.00 22.35 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? -24.549 -8.015 -18.495 1.00 22.33 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? -29.064 -9.341 -21.192 1.00 24.53 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? -30.190 -10.213 -21.512 1.00 26.19 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? -29.728 -11.416 -22.345 1.00 25.91 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? -30.135 -12.549 -22.079 1.00 26.47 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? -31.277 -9.433 -22.250 1.00 28.28 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? -32.455 -10.282 -22.704 1.00 30.75 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? -33.178 -9.640 -23.873 1.00 33.16 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? -33.925 -8.388 -23.451 1.00 35.13 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? -34.569 -7.716 -24.615 1.00 36.90 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? -28.877 -11.165 -23.339 1.00 25.87 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? -28.306 -12.235 -24.169 1.00 27.05 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? -27.493 -13.220 -23.333 1.00 25.45 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? -27.561 -14.432 -23.534 1.00 24.66 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? -27.393 -11.658 -25.257 1.00 28.73 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? -28.128 -10.770 -26.245 1.00 30.64 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? -29.378 -10.807 -26.298 1.00 32.56 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? -27.447 -10.023 -26.982 1.00 32.58 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? -26.704 -12.690 -22.404 1.00 24.89 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? -25.875 -13.533 -21.554 1.00 24.72 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? -26.751 -14.449 -20.694 1.00 24.48 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -26.520 -15.656 -20.646 1.00 24.85 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? -24.939 -12.669 -20.704 1.00 25.20 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? -24.096 -13.316 -19.607 1.00 25.88 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -23.233 -14.453 -20.128 1.00 26.56 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? -23.233 -12.235 -18.974 1.00 25.62 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? -27.771 -13.885 -20.053 1.00 24.50 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? -28.715 -14.689 -19.267 1.00 24.84 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? -29.380 -15.774 -20.113 1.00 26.63 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -29.516 -16.919 -19.681 1.00 27.46 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? -29.801 -13.805 -18.668 1.00 24.08 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? -29.315 -12.899 -17.559 1.00 23.61 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? -30.370 -11.882 -17.185 1.00 23.29 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? -29.877 -10.974 -16.156 1.00 22.80 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? -30.239 -9.700 -16.021 1.00 23.24 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? -31.122 -9.143 -16.849 1.00 24.04 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? -29.711 -8.971 -15.048 1.00 23.02 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? -29.791 -15.401 -21.319 1.00 28.52 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? -30.509 -16.315 -22.214 1.00 30.51 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -29.638 -17.406 -22.823 1.00 30.79 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -30.154 -18.394 -23.349 1.00 31.11 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? -31.177 -15.530 -23.349 1.00 31.78 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? -32.403 -14.737 -22.901 1.00 33.49 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? -32.828 -13.827 -23.607 1.00 35.78 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? -32.986 -15.077 -21.752 1.00 34.44 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -28.322 -17.223 -22.759 1.00 29.82 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -27.376 -18.203 -23.277 1.00 30.10 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -27.123 -19.340 -22.286 1.00 30.06 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -26.550 -20.364 -22.646 1.00 31.12 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -26.066 -17.516 -23.626 1.00 30.29 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -27.544 -19.152 -21.040 1.00 29.94 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -27.331 -20.140 -19.997 1.00 29.93 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -28.504 -21.107 -20.004 1.00 31.29 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -29.654 -20.679 -19.888 1.00 31.42 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -27.213 -19.459 -18.635 1.00 29.79 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -26.182 -18.325 -18.595 1.00 29.68 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -26.262 -17.550 -17.291 1.00 29.70 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -24.773 -18.854 -18.823 1.00 30.05 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -28.222 -22.410 -20.155 1.00 31.94 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -29.300 -23.389 -20.213 1.00 32.70 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -29.925 -23.678 -18.851 1.00 33.52 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -29.265 -23.578 -17.817 1.00 32.45 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -28.615 -24.637 -20.774 1.00 32.57 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -27.185 -24.501 -20.394 1.00 32.59 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -26.891 -23.034 -20.274 1.00 32.42 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -31.209 -24.017 -18.869 1.00 34.96 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -31.920 -24.441 -17.672 1.00 36.63 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -33.107 -25.291 -18.100 1.00 37.21 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -33.644 -25.101 -19.191 1.00 36.12 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -32.382 -23.238 -16.836 1.00 37.16 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -33.492 -22.445 -17.456 1.00 38.45 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -33.271 -21.448 -18.382 1.00 39.14 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -34.833 -22.489 -17.265 1.00 39.00 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -34.427 -20.919 -18.741 1.00 39.86 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -35.391 -21.533 -18.078 1.00 39.56 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -33.494 -26.239 -17.254 1.00 39.49 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -34.677 -27.063 -17.514 1.00 40.80 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -35.841 -26.719 -16.589 1.00 41.19 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -36.988 -27.051 -16.889 1.00 41.69 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -34.362 -28.564 -17.381 1.00 42.39 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -33.543 -28.787 -16.228 1.00 44.19 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -33.643 -29.067 -18.621 1.00 43.26 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -35.543 -26.061 -15.471 1.00 39.98 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -36.553 -25.671 -14.498 1.00 40.96 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -36.417 -24.214 -14.125 1.00 39.35 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -35.340 -23.621 -14.245 1.00 37.95 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -36.373 -26.426 -13.187 1.00 43.26 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -36.429 -27.933 -13.242 1.00 45.60 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -36.130 -28.532 -11.879 1.00 47.74 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -35.161 -29.313 -11.768 1.00 49.21 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -36.849 -28.197 -10.910 1.00 49.20 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -37.513 -23.667 -13.618 1.00 36.98 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -37.470 -22.450 -12.841 1.00 36.05 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -37.941 -22.764 -11.441 1.00 34.97 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -38.782 -23.644 -11.229 1.00 35.16 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? -38.351 -21.375 -13.448 1.00 36.53 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? -37.951 -21.021 -14.860 1.00 37.29 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? -38.584 -19.718 -15.287 1.00 38.47 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? -38.208 -19.393 -16.716 1.00 39.65 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? -39.012 -18.255 -17.232 1.00 40.42 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -37.380 -22.036 -10.489 1.00 32.52 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -37.718 -22.178 -9.096 1.00 31.59 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? -38.169 -20.794 -8.665 1.00 31.52 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? -37.395 -19.833 -8.720 1.00 31.03 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -36.505 -22.679 -8.297 1.00 30.85 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -36.790 -22.687 -6.803 1.00 30.98 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -36.102 -24.066 -8.785 1.00 30.87 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? -39.441 -20.692 -8.290 1.00 30.96 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? -40.066 -19.412 -7.991 1.00 31.63 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? -39.852 -18.405 -9.133 1.00 31.62 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? -39.549 -17.233 -8.909 1.00 32.16 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? -39.564 -18.893 -6.642 1.00 31.77 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? -40.067 -19.718 -5.478 1.00 32.31 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? -41.411 -19.691 -5.125 1.00 33.09 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? -39.209 -20.523 -4.731 1.00 32.63 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? -41.892 -20.438 -4.067 1.00 32.99 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? -39.684 -21.277 -3.665 1.00 33.47 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? -41.028 -21.228 -3.340 1.00 32.98 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? -41.521 -21.963 -2.287 1.00 33.99 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? -40.008 -18.908 -10.358 1.00 31.34 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? -39.915 -18.130 -11.596 1.00 32.02 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? -38.503 -17.652 -11.969 1.00 30.85 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? -38.345 -16.833 -12.878 1.00 30.80 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? -40.886 -16.947 -11.562 1.00 33.41 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? -41.393 -16.571 -12.939 1.00 35.07 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? -41.592 -17.431 -13.800 1.00 36.80 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? -41.608 -15.281 -13.157 1.00 36.65 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? -37.493 -18.172 -11.275 1.00 29.53 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? -36.093 -17.843 -11.536 1.00 28.15 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? -35.434 -19.054 -12.188 1.00 27.67 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? -35.503 -20.153 -11.642 1.00 27.82 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? -35.330 -17.528 -10.233 1.00 27.63 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? -36.009 -16.398 -9.457 1.00 27.11 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? -33.888 -17.142 -10.549 1.00 27.77 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? -35.771 -16.444 -7.965 1.00 27.22 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? -34.787 -18.865 -13.355 1.00 27.14 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -34.087 -19.981 -13.984 1.00 27.36 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -33.078 -20.652 -13.056 1.00 27.51 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -32.303 -19.974 -12.370 1.00 27.38 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -33.379 -19.333 -15.176 1.00 27.54 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? -34.211 -18.150 -15.508 1.00 27.19 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? -34.804 -17.669 -14.216 1.00 26.92 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -33.123 -21.981 -13.031 1.00 27.40 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -32.235 -22.785 -12.206 1.00 28.22 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -31.132 -23.337 -13.086 1.00 28.08 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -31.395 -24.123 -13.999 1.00 28.01 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -33.005 -23.942 -11.555 1.00 29.15 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -32.154 -24.919 -10.736 1.00 29.53 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -31.596 -24.244 -9.495 1.00 29.83 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -32.944 -26.164 -10.357 1.00 29.98 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -29.892 -22.941 -12.822 1.00 27.98 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -28.779 -23.428 -13.631 1.00 28.51 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -28.600 -24.926 -13.446 1.00 29.65 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -28.963 -25.484 -12.409 1.00 29.81 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -27.479 -22.699 -13.292 1.00 27.75 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -27.512 -21.200 -13.605 1.00 27.68 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -26.335 -20.488 -12.956 1.00 27.41 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -27.533 -20.940 -15.103 1.00 27.67 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -28.040 -25.567 -14.464 1.00 32.26 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -27.936 -27.020 -14.484 1.00 33.56 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -26.905 -27.534 -13.486 1.00 35.15 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -25.932 -26.838 -13.181 1.00 33.86 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -27.591 -27.507 -15.891 1.00 33.98 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -28.602 -27.157 -16.985 1.00 34.88 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -28.171 -27.799 -18.292 1.00 35.36 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -30.017 -27.592 -16.626 1.00 35.43 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -27.116 -28.757 -12.966 1.00 36.94 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -26.129 -29.348 -12.065 1.00 37.98 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -24.784 -29.528 -12.756 1.00 38.57 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -23.741 -29.264 -12.159 1.00 38.45 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -26.727 -30.717 -11.717 1.00 38.19 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -28.161 -30.646 -12.106 1.00 37.82 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -28.232 -29.680 -13.243 1.00 37.48 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -24.821 -29.977 -14.006 1.00 39.72 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -23.614 -30.150 -14.797 1.00 40.56 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -23.936 -30.231 -16.283 1.00 40.82 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -25.076 -30.479 -16.678 1.00 41.18 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -22.857 -31.405 -14.355 1.00 41.56 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -23.633 -32.569 -14.570 1.00 43.09 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -22.907 -29.999 -17.091 1.00 40.81 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -22.975 -30.096 -18.542 1.00 41.10 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -21.647 -30.711 -18.953 1.00 42.89 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -20.602 -30.321 -18.428 1.00 43.46 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -23.110 -28.705 -19.206 1.00 40.20 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -23.131 -28.825 -20.724 1.00 39.53 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -24.356 -27.974 -18.719 1.00 39.87 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -21.673 -31.675 -19.871 1.00 44.61 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -20.444 -32.371 -20.260 1.00 45.28 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -19.862 -31.856 -21.568 1.00 44.79 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -20.589 -31.483 -22.493 1.00 44.93 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -20.665 -33.884 -20.341 1.00 46.53 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -20.777 -34.444 -19.045 1.00 48.09 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.533 -31.843 -21.618 1.00 43.65 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -17.798 -31.465 -22.812 1.00 43.05 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -17.758 -29.968 -23.026 1.00 41.67 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -17.864 -29.187 -22.079 1.00 41.65 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -17.613 -29.572 -24.286 1.00 40.70 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -17.466 -28.165 -24.646 1.00 39.44 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -18.741 -27.340 -24.428 1.00 38.57 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -18.669 -26.116 -24.306 1.00 37.74 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -16.992 -28.041 -26.087 1.00 40.12 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -19.897 -28.002 -24.364 1.00 36.68 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -21.166 -27.322 -24.091 1.00 35.48 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -21.261 -26.671 -22.718 1.00 34.06 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -22.167 -25.872 -22.471 1.00 34.01 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -20.333 -27.009 -21.825 1.00 32.90 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -20.258 -26.373 -20.515 1.00 32.74 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -19.883 -24.894 -20.614 1.00 31.36 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -20.176 -24.123 -19.701 1.00 31.03 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -19.236 -27.098 -19.638 1.00 34.25 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -19.239 -26.676 -18.180 1.00 36.27 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -18.373 -27.612 -17.357 1.00 38.68 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -18.442 -27.287 -15.935 1.00 42.00 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -19.172 -27.934 -15.025 1.00 43.68 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -19.915 -28.994 -15.346 1.00 44.29 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -19.144 -27.518 -13.764 1.00 44.96 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -19.245 -24.499 -21.716 1.00 30.57 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -18.652 -23.166 -21.809 1.00 29.33 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -19.310 -22.271 -22.844 1.00 29.41 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -19.488 -22.646 -24.004 1.00 31.16 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -17.152 -23.281 -22.073 1.00 28.69 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -16.525 -24.258 -21.130 1.00 27.83 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -16.365 -23.941 -19.787 1.00 27.27 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -16.146 -25.523 -21.560 1.00 27.82 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -15.818 -24.847 -18.903 1.00 27.65 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.594 -26.436 -20.684 1.00 27.72 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.438 -26.094 -19.358 1.00 27.79 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -14.890 -26.995 -18.479 1.00 29.68 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -19.673 -21.079 -22.386 1.00 27.89 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -20.182 -20.024 -23.237 1.00 28.12 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -19.039 -19.080 -23.576 1.00 27.48 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -18.237 -18.743 -22.701 1.00 26.91 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -21.268 -19.253 -22.494 1.00 29.03 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -21.745 -17.931 -23.093 1.00 30.21 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -22.376 -18.137 -24.460 1.00 30.82 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -22.729 -17.287 -22.135 1.00 30.57 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -18.975 -18.654 -24.835 1.00 27.37 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -17.999 -17.658 -25.268 1.00 27.58 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -18.643 -16.276 -25.337 1.00 27.00 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -19.686 -16.099 -25.969 1.00 26.65 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -17.398 -18.042 -26.623 1.00 28.55 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -16.840 -19.466 -26.698 1.00 29.58 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -16.200 -19.720 -28.054 1.00 30.35 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -15.844 -19.734 -25.576 1.00 29.87 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -18.026 -15.312 -24.653 1.00 26.25 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -18.439 -13.916 -24.713 1.00 26.37 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -17.390 -13.159 -25.500 1.00 26.20 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -16.229 -13.129 -25.103 1.00 25.46 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -18.501 -13.265 -23.330 1.00 27.64 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -19.382 -13.918 -22.288 1.00 28.97 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -19.641 -12.738 -20.943 1.00 31.16 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -18.037 -12.729 -20.141 1.00 29.71 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -17.800 -12.529 -26.592 1.00 25.52 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -16.902 -11.706 -27.388 1.00 26.27 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -17.047 -10.256 -26.949 1.00 25.12 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? -18.118 -9.670 -27.101 1.00 25.75 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -17.241 -11.851 -28.871 1.00 28.25 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -17.247 -13.269 -29.347 1.00 30.59 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -16.095 -14.015 -29.468 1.00 31.90 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -18.263 -14.082 -29.721 1.00 32.40 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -16.399 -15.225 -29.902 1.00 32.91 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -17.708 -15.291 -30.064 1.00 33.48 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -15.980 -9.687 -26.393 1.00 23.40 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? -16.002 -8.311 -25.898 1.00 23.36 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? -15.072 -7.441 -26.721 1.00 24.05 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? -13.909 -7.789 -26.909 1.00 25.40 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? -15.583 -8.270 -24.429 1.00 22.95 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? -16.414 -9.166 -23.508 1.00 22.83 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? -15.863 -9.154 -22.091 1.00 22.84 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? -17.877 -8.739 -23.531 1.00 23.27 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? -15.590 -6.313 -27.205 1.00 24.41 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? -14.818 -5.381 -28.029 1.00 25.05 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? -14.648 -4.070 -27.297 1.00 24.89 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? -15.631 -3.484 -26.835 1.00 23.95 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? -15.522 -5.111 -29.357 1.00 26.07 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? -15.711 -6.336 -30.195 1.00 27.50 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? -16.692 -7.263 -29.874 1.00 27.89 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? -14.906 -6.568 -31.301 1.00 28.53 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? -16.869 -8.398 -30.642 1.00 28.97 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? -15.078 -7.705 -32.074 1.00 29.36 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? -16.060 -8.620 -31.744 1.00 29.45 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? -13.406 -3.607 -27.190 1.00 24.67 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? -13.155 -2.309 -26.587 1.00 24.87 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? -13.529 -1.212 -27.576 1.00 25.31 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? -13.910 -1.488 -28.717 1.00 25.20 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? -11.714 -2.183 -26.058 1.00 24.89 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? -10.670 -2.016 -27.148 1.00 25.27 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? -10.978 -1.936 -28.336 1.00 25.17 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? -9.410 -1.957 -26.730 1.00 25.48 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? -13.432 0.030 -27.132 1.00 26.79 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? -13.873 1.159 -27.936 1.00 28.67 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? -13.174 1.233 -29.303 1.00 29.43 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? -13.788 1.641 -30.293 1.00 29.89 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? -13.667 2.438 -27.139 1.00 29.51 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? -14.015 3.684 -27.886 1.00 30.97 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? -15.332 4.124 -27.973 1.00 31.76 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? -13.024 4.431 -28.502 1.00 31.88 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? -15.649 5.284 -28.658 1.00 32.47 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? -13.325 5.585 -29.188 1.00 32.70 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? -14.634 6.009 -29.263 1.00 33.22 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? -14.913 7.160 -29.951 1.00 35.26 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? -11.910 0.816 -29.353 1.00 30.30 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? -11.134 0.785 -30.601 1.00 31.93 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? -11.402 -0.443 -31.473 1.00 31.49 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? -10.831 -0.568 -32.560 1.00 32.16 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? -9.636 0.864 -30.290 1.00 33.54 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? -9.227 2.203 -29.717 1.00 35.39 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? -9.981 3.187 -29.879 1.00 36.50 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? -8.140 2.273 -29.106 1.00 37.87 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? -12.258 -1.349 -31.008 1.00 30.27 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? -12.644 -2.515 -31.798 1.00 29.93 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? -11.764 -3.738 -31.612 1.00 29.55 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? -11.949 -4.744 -32.299 1.00 30.51 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? -10.808 -3.660 -30.689 1.00 29.67 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? -10.002 -4.819 -30.316 1.00 30.37 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? -10.815 -5.736 -29.430 1.00 29.77 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? -11.666 -5.274 -28.670 1.00 29.65 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? -8.736 -4.390 -29.579 1.00 32.16 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? -7.731 -3.713 -30.487 1.00 34.24 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? -7.844 -3.759 -31.713 1.00 37.89 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? -6.728 -3.088 -29.886 1.00 36.33 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -10.537 -7.031 -29.505 1.00 29.68 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -11.430 -8.010 -28.910 1.00 29.47 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -10.733 -9.039 -28.043 1.00 27.41 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -9.595 -9.433 -28.303 1.00 26.35 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -12.251 -8.743 -29.996 1.00 31.13 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -13.160 -9.661 -29.375 1.00 32.39 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -11.347 -9.490 -30.982 1.00 31.57 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -11.436 -9.456 -26.996 1.00 25.79 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -11.087 -10.661 -26.266 1.00 24.68 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -12.305 -11.570 -26.271 1.00 24.32 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -13.434 -11.103 -26.424 1.00 24.58 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -10.625 -10.361 -24.823 1.00 24.86 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -11.770 -9.802 -23.964 1.00 24.62 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -9.461 -9.383 -24.852 1.00 25.29 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -11.429 -9.651 -22.493 1.00 25.05 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -12.067 -12.868 -26.134 1.00 23.26 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -13.146 -13.825 -25.980 1.00 23.08 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -13.014 -14.448 -24.607 1.00 21.99 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -11.953 -14.943 -24.239 1.00 21.21 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -13.124 -14.907 -27.064 1.00 24.09 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -13.184 -14.285 -28.355 1.00 25.52 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -14.316 -15.841 -26.894 1.00 24.10 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -14.096 -14.407 -23.843 1.00 21.08 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -14.079 -14.884 -22.476 1.00 20.65 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -14.895 -16.164 -22.390 1.00 21.07 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -16.022 -16.206 -22.874 1.00 21.95 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -14.674 -13.833 -21.529 1.00 20.57 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -14.656 -14.334 -20.094 1.00 20.61 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -13.914 -12.518 -21.650 1.00 20.42 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -14.316 -17.197 -21.782 1.00 20.85 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -15.011 -18.470 -21.566 1.00 21.21 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -15.691 -18.484 -20.198 1.00 21.44 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -15.053 -18.249 -19.167 1.00 20.89 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -14.041 -19.638 -21.691 1.00 21.72 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -16.991 -18.775 -20.205 1.00 21.53 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -17.817 -18.777 -19.001 1.00 22.18 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -18.439 -20.164 -18.818 1.00 23.59 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -19.015 -20.710 -19.755 1.00 24.42 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -18.943 -17.723 -19.100 1.00 22.61 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -19.826 -17.750 -17.861 1.00 23.03 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -18.368 -16.326 -19.294 1.00 22.63 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -18.310 -20.720 -17.615 1.00 24.32 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -18.925 -22.000 -17.256 1.00 26.18 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -20.420 -21.754 -17.063 1.00 25.96 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -20.803 -20.978 -16.191 1.00 25.26 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -18.282 -22.533 -15.968 1.00 27.28 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -18.858 -23.872 -15.514 1.00 29.01 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -20.063 -24.127 -15.719 1.00 30.01 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -18.097 -24.668 -14.927 1.00 30.53 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -21.262 -22.412 -17.863 1.00 26.59 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -22.701 -22.094 -17.872 1.00 27.13 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -23.480 -22.644 -16.672 1.00 27.43 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -24.651 -22.303 -16.503 1.00 28.22 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -23.421 -22.515 -19.182 1.00 27.16 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -22.720 -21.935 -20.406 1.00 26.96 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -23.562 -24.029 -19.298 1.00 27.30 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -22.847 -23.479 -15.850 1.00 27.67 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -23.497 -24.009 -14.651 1.00 28.44 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -23.401 -23.044 -13.477 1.00 27.76 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -24.221 -23.098 -12.569 1.00 27.35 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -22.902 -25.364 -14.200 1.00 29.63 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -21.576 -25.177 -13.682 1.00 30.20 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -22.882 -26.360 -15.352 1.00 30.10 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -22.402 -22.164 -13.484 1.00 26.67 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -22.201 -21.250 -12.356 1.00 25.37 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -21.845 -19.802 -12.725 1.00 23.76 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -21.678 -18.969 -11.840 1.00 23.03 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -21.139 -21.827 -11.417 1.00 26.59 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -19.848 -22.167 -12.135 1.00 27.13 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -19.553 -21.621 -13.199 1.00 27.07 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -19.073 -23.079 -11.559 1.00 28.16 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -21.770 -19.516 -14.024 1.00 23.56 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -21.385 -18.200 -14.562 1.00 23.65 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -19.987 -17.758 -14.103 1.00 24.35 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -19.711 -16.557 -13.984 1.00 24.19 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -22.423 -17.087 -14.251 1.00 23.63 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -22.482 -16.090 -15.402 1.00 23.82 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -23.814 -17.664 -14.013 1.00 23.81 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -19.105 -18.723 -13.857 1.00 24.98 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -17.726 -18.414 -13.495 1.00 25.91 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -16.899 -18.264 -14.752 1.00 25.08 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -16.973 -19.086 -15.654 1.00 23.86 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -17.111 -19.520 -12.644 1.00 28.30 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -17.673 -19.667 -11.252 1.00 31.21 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -17.292 -20.740 -10.460 1.00 34.00 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -18.599 -18.763 -10.730 1.00 32.82 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -17.804 -20.909 -9.187 1.00 35.03 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -19.118 -18.923 -9.456 1.00 34.09 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -18.716 -19.997 -8.690 1.00 35.55 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -19.221 -20.171 -7.421 1.00 38.22 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -16.109 -17.203 -14.806 1.00 24.18 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -15.173 -17.003 -15.892 1.00 24.31 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -13.921 -17.861 -15.729 1.00 24.01 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -13.216 -17.753 -14.729 1.00 24.22 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -14.694 -15.535 -15.946 1.00 24.72 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -15.814 -14.644 -16.498 1.00 25.78 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -13.460 -15.400 -16.825 1.00 24.79 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -15.566 -13.157 -16.340 1.00 26.55 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -13.665 -18.725 -16.705 1.00 24.17 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -12.597 -19.723 -16.623 1.00 24.68 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.279 -19.196 -17.180 1.00 22.95 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -10.196 -19.533 -16.696 1.00 21.41 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -12.995 -20.965 -17.422 1.00 27.03 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -14.186 -21.730 -16.867 1.00 29.33 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -13.790 -22.562 -15.321 1.00 33.48 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -14.486 -21.426 -14.139 1.00 33.26 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -11.388 -18.381 -18.215 1.00 21.81 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.229 -17.922 -18.961 1.00 20.84 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -10.672 -17.060 -20.115 1.00 20.64 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -11.863 -16.808 -20.289 1.00 20.55 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.716 -16.601 -20.909 1.00 19.66 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -10.026 -15.751 -22.043 1.00 20.28 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -8.928 -15.866 -23.084 1.00 20.67 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -7.826 -16.336 -22.803 1.00 21.06 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -10.212 -14.287 -21.604 1.00 20.59 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -9.021 -13.725 -20.868 1.00 20.84 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -8.852 -13.955 -19.507 1.00 21.39 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -8.050 -12.984 -21.536 1.00 21.37 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.760 -13.457 -18.826 1.00 22.00 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -6.949 -12.483 -20.865 1.00 21.64 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -6.809 -12.724 -19.509 1.00 21.84 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -5.722 -12.234 -18.821 1.00 23.54 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -9.263 -15.437 -24.289 1.00 21.66 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -8.362 -15.469 -25.422 1.00 23.07 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.129 -14.044 -25.885 1.00 23.67 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -9.083 -13.295 -26.125 1.00 23.27 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -8.990 -16.280 -26.554 1.00 24.08 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -8.228 -16.349 -27.879 1.00 24.97 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -6.929 -17.102 -27.665 1.00 25.45 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -9.049 -17.029 -28.962 1.00 26.04 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -6.861 -13.676 -26.014 1.00 24.59 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -6.487 -12.357 -26.498 1.00 26.84 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -5.466 -12.534 -27.611 1.00 28.87 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -4.340 -12.967 -27.370 1.00 28.08 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -5.925 -11.521 -25.366 1.00 26.96 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -5.895 -12.199 -28.826 1.00 31.99 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -5.181 -12.518 -30.063 1.00 34.22 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -4.886 -14.020 -30.200 1.00 32.68 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -5.799 -14.803 -30.470 1.00 33.28 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -3.924 -11.649 -30.216 1.00 37.10 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -3.184 -11.671 -31.567 1.00 39.91 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -4.020 -12.176 -32.741 1.00 40.48 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -2.663 -10.276 -31.875 1.00 41.13 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -3.627 -14.418 -30.029 1.00 30.54 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -3.226 -15.812 -30.196 1.00 29.27 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -2.803 -16.437 -28.867 1.00 26.87 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -2.228 -17.525 -28.850 1.00 27.85 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -2.064 -15.945 -31.207 1.00 29.70 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -0.929 -15.201 -30.746 1.00 29.78 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -2.475 -15.434 -32.574 1.00 30.35 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -3.094 -15.763 -27.756 1.00 24.20 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -2.725 -16.271 -26.443 1.00 22.74 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -3.957 -16.493 -25.589 1.00 21.95 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -4.795 -15.600 -25.466 1.00 22.06 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -1.807 -15.289 -25.701 1.00 22.54 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -0.619 -15.066 -26.469 1.00 23.36 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -1.413 -15.831 -24.342 1.00 22.64 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -4.045 -17.674 -24.985 1.00 20.86 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -5.103 -17.974 -24.033 1.00 20.94 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -4.577 -17.821 -22.612 1.00 20.67 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -3.394 -18.041 -22.338 1.00 20.28 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -5.669 -19.380 -24.253 1.00 21.21 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -4.707 -20.384 -23.984 1.00 21.48 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -5.471 -17.426 -21.713 1.00 20.56 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -5.145 -17.209 -20.317 1.00 20.06 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -6.200 -17.919 -19.476 1.00 20.15 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -7.397 -17.719 -19.700 1.00 20.05 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -5.156 -15.713 -19.997 1.00 20.41 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -4.199 -14.891 -20.830 1.00 20.77 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -4.553 -14.456 -22.101 1.00 21.22 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -2.943 -14.553 -20.349 1.00 21.56 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -3.685 -13.704 -22.870 1.00 21.95 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -2.065 -13.802 -21.113 1.00 22.06 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -2.443 -13.377 -22.369 1.00 22.18 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -1.577 -12.632 -23.135 1.00 23.83 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -5.770 -18.730 -18.515 1.00 20.73 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -6.697 -19.442 -17.632 1.00 21.35 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -6.328 -19.228 -16.181 1.00 21.71 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -5.148 -19.083 -15.844 1.00 22.12 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -6.706 -20.944 -17.945 1.00 21.71 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -7.296 -21.274 -19.283 1.00 21.97 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -8.657 -21.498 -19.423 1.00 22.28 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -6.494 -21.345 -20.407 1.00 21.79 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -9.202 -21.793 -20.663 1.00 22.41 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -7.029 -21.638 -21.649 1.00 22.26 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -8.387 -21.859 -21.779 1.00 22.37 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -7.342 -19.208 -15.320 1.00 22.00 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -7.117 -19.153 -13.882 1.00 22.71 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -6.405 -20.413 -13.409 1.00 23.74 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -6.538 -21.483 -14.005 1.00 24.22 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -8.428 -18.991 -13.104 1.00 22.41 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -9.024 -17.610 -13.183 1.00 22.81 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -8.305 -16.501 -12.752 1.00 22.86 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.319 -17.421 -13.653 1.00 23.30 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.857 -15.233 -12.814 1.00 23.61 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -10.879 -16.156 -13.708 1.00 23.53 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -10.147 -15.059 -13.289 1.00 23.83 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -5.650 -20.264 -12.327 1.00 25.23 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -4.890 -21.357 -11.743 1.00 26.67 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -5.806 -22.128 -10.793 1.00 27.74 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -5.791 -21.936 -9.577 1.00 28.45 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -3.650 -20.792 -11.044 1.00 26.77 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -2.666 -21.862 -10.596 1.00 27.28 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -1.903 -21.642 -9.656 1.00 29.14 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -2.660 -23.005 -11.262 1.00 26.59 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -6.652 -22.960 -11.385 1.00 29.84 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -7.792 -23.587 -10.740 1.00 30.99 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -8.069 -24.894 -11.457 1.00 30.43 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -7.993 -24.913 -12.641 1.00 30.35 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -8.978 -22.745 -11.087 1.00 32.55 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -9.663 -22.090 -9.980 1.00 34.18 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -10.531 -20.981 -10.486 1.00 34.21 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -11.006 -21.033 -11.593 1.00 38.01 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -10.733 -20.048 -9.789 1.00 36.11 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -8.447 -25.972 -10.767 1.00 30.88 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -8.753 -27.195 -11.532 1.00 30.90 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -9.872 -27.048 -12.571 1.00 30.27 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -9.795 -27.640 -13.647 1.00 30.97 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -9.172 -28.191 -10.451 1.00 30.99 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -8.463 -27.740 -9.227 1.00 31.21 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -8.341 -26.239 -9.320 1.00 30.98 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -10.902 -26.273 -12.253 1.00 29.94 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -12.016 -26.081 -13.180 1.00 29.59 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -11.592 -25.344 -14.453 1.00 29.12 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -12.101 -25.623 -15.535 1.00 27.75 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -13.155 -25.349 -12.495 1.00 29.61 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -10.649 -24.414 -14.320 1.00 28.56 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -10.136 -23.671 -15.466 1.00 29.13 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -9.189 -24.542 -16.284 1.00 30.19 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -9.168 -24.464 -17.511 1.00 29.39 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -9.438 -22.402 -15.004 1.00 28.45 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -8.410 -25.373 -15.595 1.00 31.78 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -7.543 -26.339 -16.258 1.00 34.11 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -8.388 -27.264 -17.133 1.00 33.27 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -8.035 -27.534 -18.279 1.00 32.81 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -6.754 -27.148 -15.220 1.00 36.94 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -5.702 -28.059 -15.845 1.00 39.72 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -5.348 -27.874 -17.028 1.00 42.59 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -5.220 -28.971 -15.138 1.00 43.91 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -9.515 -27.723 -16.597 1.00 32.88 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -10.437 -28.549 -17.368 1.00 32.80 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -11.004 -27.790 -18.565 1.00 30.69 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -11.056 -28.327 -19.667 1.00 30.04 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -11.580 -29.057 -16.490 1.00 34.80 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -12.592 -29.945 -17.219 1.00 36.71 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -11.964 -31.289 -17.558 1.00 37.49 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -13.847 -30.129 -16.384 1.00 37.30 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -11.430 -26.547 -18.350 1.00 28.45 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -11.932 -25.716 -19.448 1.00 27.20 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -10.918 -25.611 -20.585 1.00 26.69 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -11.295 -25.607 -21.755 1.00 25.96 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -12.310 -24.328 -18.950 1.00 26.84 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -9.630 -25.555 -20.242 1.00 27.33 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -8.577 -25.399 -21.253 1.00 27.88 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -8.447 -26.618 -22.171 1.00 29.60 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -7.793 -26.553 -23.209 1.00 28.81 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -7.228 -25.070 -20.598 1.00 28.04 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -6.625 -26.209 -20.005 1.00 27.65 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -9.094 -27.717 -21.794 1.00 32.22 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -9.159 -28.899 -22.644 1.00 34.26 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -10.197 -28.734 -23.757 1.00 33.85 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -10.182 -29.486 -24.732 1.00 34.76 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -9.469 -30.137 -21.796 1.00 36.71 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -8.510 -30.305 -20.625 1.00 39.16 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -8.724 -31.581 -19.836 1.00 41.75 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -9.062 -32.625 -20.394 1.00 44.12 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -8.512 -31.506 -18.525 1.00 43.25 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -11.086 -27.747 -23.622 1.00 32.89 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -12.192 -27.567 -24.569 1.00 32.45 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -12.229 -26.244 -25.330 1.00 31.20 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -12.692 -26.215 -26.469 1.00 31.55 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -13.519 -27.754 -23.842 1.00 33.52 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -13.658 -29.128 -23.252 1.00 34.85 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -14.146 -30.186 -24.011 1.00 36.48 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -13.277 -29.378 -21.944 1.00 36.00 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -14.262 -31.455 -23.474 1.00 37.15 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -13.388 -30.641 -21.394 1.00 37.18 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -13.883 -31.676 -22.162 1.00 37.94 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -13.995 -32.934 -21.615 1.00 40.05 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -11.781 -25.151 -24.713 1.00 29.15 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -11.867 -23.836 -25.358 1.00 28.76 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -10.486 -23.273 -25.680 1.00 27.85 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -9.514 -23.542 -24.970 1.00 27.33 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -12.661 -22.804 -24.517 1.00 29.18 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -14.106 -23.255 -24.342 1.00 29.68 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -12.005 -22.544 -23.165 1.00 29.57 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -10.426 -22.503 -26.764 1.00 27.65 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -9.223 -21.768 -27.176 1.00 28.21 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -8.047 -22.677 -27.503 1.00 30.79 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -6.892 -22.285 -27.336 1.00 30.92 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -8.786 -20.773 -26.094 1.00 26.89 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -9.888 -19.897 -25.576 1.00 25.68 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -10.900 -19.434 -26.416 1.00 25.68 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -9.889 -19.494 -24.247 1.00 25.22 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -11.903 -18.615 -25.926 1.00 25.13 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -10.889 -18.673 -23.755 1.00 25.20 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -11.897 -18.233 -24.596 1.00 24.96 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -8.336 -23.882 -27.980 1.00 33.89 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -7.285 -24.861 -28.232 1.00 36.65 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -6.364 -24.439 -29.379 1.00 36.74 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -5.211 -24.865 -29.430 1.00 37.38 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -7.894 -26.233 -28.514 1.00 38.84 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -8.714 -26.798 -27.355 1.00 41.08 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -7.856 -27.544 -26.345 1.00 43.31 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -6.898 -28.420 -27.013 1.00 45.29 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -7.177 -29.617 -27.526 1.00 47.09 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -6.213 -30.307 -28.124 1.00 47.51 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -8.400 -30.136 -27.450 1.00 47.95 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -6.860 -23.594 -30.282 1.00 36.66 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -6.045 -23.107 -31.395 1.00 36.41 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -5.131 -21.928 -31.032 1.00 34.15 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -4.403 -21.439 -31.892 1.00 33.40 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -6.929 -22.736 -32.586 1.00 37.89 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -7.823 -21.689 -32.258 1.00 40.58 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -5.164 -21.469 -29.779 1.00 32.39 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -4.195 -20.474 -29.304 1.00 31.35 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -2.773 -20.979 -29.524 1.00 31.49 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -2.487 -22.156 -29.311 1.00 31.72 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -4.408 -20.168 -27.828 1.00 30.63 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -1.885 -20.086 -29.950 1.00 31.87 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -0.476 -20.436 -30.126 1.00 32.71 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 0.204 -20.764 -28.799 1.00 30.41 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 1.092 -21.611 -28.744 1.00 29.64 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 0.273 -19.304 -30.823 1.00 35.80 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? -0.089 -19.149 -32.286 1.00 38.63 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 0.824 -18.149 -32.977 1.00 41.59 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 2.127 -18.738 -33.307 1.00 44.36 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 3.317 -18.301 -32.884 1.00 47.46 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 3.431 -17.232 -32.097 1.00 48.38 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 4.418 -18.942 -33.268 1.00 48.41 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -0.204 -20.092 -27.729 1.00 28.43 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 0.306 -20.418 -26.402 1.00 27.56 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -0.773 -20.228 -25.351 1.00 26.19 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -1.723 -19.467 -25.556 1.00 25.76 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 1.541 -19.579 -26.054 1.00 28.99 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 1.291 -18.087 -26.080 1.00 29.75 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 2.372 -17.278 -25.382 1.00 30.35 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 1.968 -15.874 -25.388 1.00 30.82 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 2.614 -14.868 -24.800 1.00 31.71 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 3.746 -15.061 -24.129 1.00 32.07 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 2.109 -13.644 -24.895 1.00 32.09 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -0.608 -20.947 -24.246 1.00 24.65 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -1.507 -20.881 -23.103 1.00 24.40 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -0.743 -20.460 -21.860 1.00 23.90 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 0.202 -21.132 -21.439 1.00 24.62 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -2.168 -22.233 -22.829 1.00 25.06 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -3.081 -22.199 -21.611 1.00 25.92 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -3.798 -23.509 -21.351 1.00 27.18 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -2.935 -24.546 -20.663 1.00 28.08 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -3.728 -25.803 -20.648 1.00 29.38 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -1.184 -19.361 -21.262 1.00 22.01 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -0.627 -18.884 -20.013 1.00 21.76 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -1.619 -19.181 -18.896 1.00 21.31 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -2.811 -18.888 -19.015 1.00 22.14 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -0.324 -17.370 -20.085 1.00 21.63 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 0.848 -17.116 -21.045 1.00 22.33 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -0.031 -16.815 -18.695 1.00 21.84 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 1.103 -15.655 -21.369 1.00 22.70 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -1.131 -19.782 -17.821 1.00 21.07 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -1.934 -19.947 -16.628 1.00 21.84 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -1.625 -18.746 -15.755 1.00 21.48 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -0.470 -18.480 -15.443 1.00 21.02 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -1.627 -21.261 -15.886 1.00 22.96 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -1.864 -22.370 -16.767 1.00 23.81 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -2.504 -21.406 -14.656 1.00 23.25 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -2.660 -18.012 -15.376 1.00 21.66 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -2.490 -16.859 -14.496 1.00 22.55 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -1.999 -17.293 -13.118 1.00 23.20 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -2.282 -18.410 -12.686 1.00 24.03 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -3.813 -16.112 -14.353 1.00 22.73 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -4.375 -15.526 -15.647 1.00 23.58 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -5.822 -15.103 -15.456 1.00 24.02 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -3.513 -14.368 -16.128 1.00 24.01 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -1.273 -16.412 -12.404 1.00 24.17 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -0.751 -16.802 -11.086 1.00 25.01 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -1.736 -16.581 -9.931 1.00 25.92 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -1.343 -16.153 -8.841 1.00 27.68 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 0.487 -15.912 -10.936 1.00 25.00 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 0.151 -14.687 -11.701 1.00 24.64 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -0.730 -15.114 -12.847 1.00 24.70 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -3.009 -16.869 -10.183 1.00 24.60 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -4.036 -16.848 -9.158 1.00 24.09 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -5.253 -17.587 -9.676 1.00 24.56 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -5.436 -17.743 -10.888 1.00 23.17 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -4.423 -15.412 -8.773 1.00 23.70 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -4.363 -14.426 -9.919 1.00 22.74 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -5.371 -14.365 -10.877 1.00 22.55 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -3.288 -13.551 -10.044 1.00 22.70 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -5.306 -13.464 -11.928 1.00 22.37 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -3.214 -12.645 -11.087 1.00 22.02 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -4.220 -12.601 -12.027 1.00 21.76 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -4.138 -11.704 -13.061 1.00 21.60 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -6.070 -18.051 -8.742 1.00 25.62 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -7.390 -18.568 -9.061 1.00 27.20 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -8.339 -17.395 -9.279 1.00 27.30 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -7.958 -16.233 -9.121 1.00 27.49 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -7.900 -19.442 -7.921 1.00 28.07 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -8.153 -18.656 -6.772 1.00 29.75 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -9.582 -17.703 -9.627 1.00 27.88 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -10.534 -16.674 -10.004 1.00 28.10 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -11.446 -16.187 -8.899 1.00 28.85 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -12.352 -15.399 -9.151 1.00 29.54 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -11.235 -16.619 -7.665 1.00 30.13 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -12.119 -16.123 -6.619 1.00 31.71 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -11.715 -14.740 -6.140 1.00 30.86 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -10.552 -14.330 -6.230 1.00 30.04 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -12.243 -17.082 -5.450 1.00 33.57 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -10.960 -17.226 -4.683 1.00 34.78 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.719 -16.508 -3.713 1.00 37.44 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -10.122 -18.153 -5.114 1.00 36.68 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -12.711 -14.030 -5.630 1.00 29.65 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -12.564 -12.629 -5.281 1.00 29.45 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -11.412 -12.367 -4.338 1.00 30.19 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -10.693 -11.385 -4.489 1.00 28.83 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -13.851 -12.111 -4.649 1.00 29.02 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -14.918 -11.733 -5.650 1.00 29.43 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -14.591 -11.075 -6.832 1.00 29.56 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -16.260 -11.992 -5.395 1.00 29.63 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -15.562 -10.708 -7.740 1.00 29.96 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -17.242 -11.626 -6.303 1.00 29.84 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -16.884 -10.983 -7.472 1.00 30.11 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -17.844 -10.608 -8.384 1.00 30.28 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -11.236 -13.253 -3.371 1.00 32.09 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -10.222 -13.055 -2.354 1.00 34.53 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -8.822 -13.065 -2.983 1.00 33.26 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -8.028 -12.157 -2.737 1.00 33.10 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -10.367 -14.103 -1.247 1.00 37.27 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -11.662 -13.972 -0.440 1.00 40.57 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -12.927 -14.335 -1.216 1.00 43.07 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -12.855 -15.160 -2.154 1.00 45.72 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -14.006 -13.790 -0.888 1.00 46.49 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -8.542 -14.057 -3.825 1.00 32.51 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -7.237 -14.154 -4.493 1.00 32.61 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -6.982 -13.044 -5.497 1.00 29.86 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -5.861 -12.556 -5.612 1.00 28.74 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -7.088 -15.500 -5.200 1.00 34.93 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -7.058 -16.671 -4.245 1.00 37.79 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -5.873 -16.556 -3.304 1.00 40.68 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -5.913 -17.562 -2.254 1.00 44.46 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -4.897 -17.838 -1.442 1.00 47.05 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -5.036 -18.776 -0.515 1.00 48.13 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -3.740 -17.186 -1.553 1.00 47.78 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -8.016 -12.668 -6.240 1.00 27.28 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -7.889 -11.600 -7.223 1.00 25.36 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -7.574 -10.271 -6.564 1.00 24.84 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -6.754 -9.503 -7.063 1.00 25.09 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -9.172 -11.469 -8.037 1.00 24.90 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -9.335 -12.531 -9.116 1.00 24.32 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -10.740 -12.463 -9.684 1.00 24.11 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -8.316 -12.351 -10.226 1.00 24.88 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -8.249 -10.006 -5.452 1.00 25.86 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -8.039 -8.786 -4.681 1.00 25.99 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -6.620 -8.724 -4.118 1.00 26.62 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -5.996 -7.663 -4.131 1.00 26.22 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -9.074 -8.691 -3.557 1.00 26.67 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -10.460 -8.286 -4.054 1.00 26.99 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -11.549 -8.247 -2.988 1.00 28.43 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -12.673 -7.835 -3.276 1.00 29.06 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -11.232 -8.655 -1.758 1.00 29.58 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -6.116 -9.863 -3.641 1.00 27.47 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -4.729 -9.963 -3.174 1.00 28.45 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -3.759 -9.640 -4.318 1.00 27.91 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -2.831 -8.851 -4.143 1.00 28.61 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -4.434 -11.355 -2.549 1.00 29.70 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -5.118 -11.467 -1.179 1.00 31.07 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -2.934 -11.593 -2.397 1.00 30.25 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -5.094 -12.853 -0.564 1.00 31.83 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -3.995 -10.228 -5.490 1.00 28.04 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -3.140 -10.008 -6.662 1.00 27.80 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -3.188 -8.564 -7.159 1.00 28.55 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -2.165 -8.001 -7.542 1.00 28.54 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -3.526 -10.962 -7.786 1.00 27.95 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.380 -7.974 -7.147 1.00 28.27 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -4.578 -6.596 -7.601 1.00 28.94 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -4.062 -5.557 -6.605 1.00 30.32 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -3.783 -4.416 -6.986 1.00 31.49 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -6.051 -6.351 -7.885 1.00 28.15 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -3.953 -5.946 -5.336 1.00 31.65 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -3.463 -5.054 -4.286 1.00 32.50 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -4.535 -4.150 -3.705 1.00 33.22 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -4.225 -3.174 -3.020 1.00 32.80 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -5.799 -4.466 -3.975 1.00 33.69 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? -6.899 -3.690 -3.422 1.00 34.20 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? -8.210 -4.471 -3.434 1.00 32.37 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -8.427 -5.314 -4.306 1.00 30.11 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? -7.046 -2.362 -4.168 1.00 36.84 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? -7.316 -2.486 -5.661 1.00 38.80 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? -6.735 -1.334 -6.481 1.00 41.41 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? -6.690 -0.004 -5.735 1.00 43.15 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? -6.799 1.161 -6.657 1.00 44.68 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? -9.080 -4.205 -2.445 1.00 31.57 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? -10.392 -4.835 -2.410 1.00 31.49 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? -11.252 -4.219 -3.488 1.00 30.96 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? -10.992 -3.087 -3.902 1.00 31.85 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? -10.928 -4.451 -1.031 1.00 31.59 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? -10.272 -3.153 -0.733 1.00 31.70 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? -8.898 -3.258 -1.329 1.00 32.30 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? -12.286 -4.915 -3.931 1.00 31.44 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? -13.080 -4.349 -5.009 1.00 31.57 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? -14.021 -3.226 -4.543 1.00 31.99 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? -14.574 -2.508 -5.368 1.00 30.12 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? -13.793 -5.435 -5.795 1.00 32.56 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? -14.874 -6.154 -5.041 1.00 32.16 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? -15.041 -7.535 -5.631 1.00 32.65 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? -16.266 -8.135 -5.139 1.00 33.47 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? -16.393 -8.770 -3.978 1.00 33.66 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -15.359 -8.922 -3.156 1.00 34.97 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? -17.573 -9.266 -3.641 1.00 32.73 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? -14.154 -3.034 -3.231 1.00 33.35 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? -14.807 -1.833 -2.704 1.00 34.93 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? -14.135 -0.543 -3.195 1.00 34.07 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? -14.757 0.517 -3.214 1.00 34.41 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? -14.816 -1.851 -1.172 1.00 37.24 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? -15.834 -2.815 -0.577 1.00 38.92 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? -15.286 -4.207 -0.312 1.00 40.20 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? -14.264 -4.590 -0.918 1.00 41.31 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? -15.892 -4.929 0.506 1.00 42.81 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? -12.869 -0.646 -3.590 1.00 32.73 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? -12.080 0.504 -4.028 1.00 32.88 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? -11.816 0.581 -5.529 1.00 30.56 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? -11.142 1.509 -5.976 1.00 30.07 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? -10.731 0.464 -3.330 1.00 35.13 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? -10.827 0.429 -1.820 1.00 37.38 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? -10.458 1.765 -1.202 1.00 39.60 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? -9.397 1.565 -0.135 1.00 41.41 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? -9.961 0.894 1.067 1.00 42.81 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? -12.310 -0.385 -6.303 1.00 27.57 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -12.099 -0.384 -7.752 1.00 25.92 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -13.353 0.132 -8.449 1.00 24.85 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -14.405 -0.500 -8.356 1.00 23.60 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -11.777 -1.799 -8.284 1.00 25.86 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -10.525 -2.353 -7.601 1.00 25.49 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -11.582 -1.777 -9.797 1.00 26.02 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -10.326 -3.847 -7.770 1.00 25.19 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? -13.258 1.284 -9.146 1.00 24.21 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? -14.420 1.744 -9.906 1.00 24.01 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? -14.851 0.756 -10.983 1.00 23.48 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? -14.010 0.119 -11.627 1.00 24.52 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? -13.935 3.050 -10.548 1.00 24.21 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? -12.816 3.504 -9.685 1.00 24.53 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? -12.148 2.254 -9.209 1.00 24.51 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? -16.161 0.629 -11.152 1.00 22.99 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? -16.731 -0.186 -12.211 1.00 22.43 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? -17.711 0.661 -13.006 1.00 22.07 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? -18.069 1.767 -12.596 1.00 21.81 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? -17.373 -1.481 -11.664 1.00 23.19 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? -18.518 -1.177 -10.687 1.00 23.40 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? -16.297 -2.327 -11.001 1.00 23.48 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? -19.204 -2.414 -10.136 1.00 23.79 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? -18.123 0.136 -14.151 1.00 21.70 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -18.885 0.891 -15.127 1.00 21.69 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -18.436 0.499 -16.514 1.00 21.77 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -17.525 -0.326 -16.679 1.00 21.81 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? -19.066 1.086 -17.521 1.00 21.54 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? -18.695 0.774 -18.886 1.00 21.55 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? -17.321 1.337 -19.255 1.00 20.98 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? -16.586 0.679 -19.975 1.00 20.89 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? -19.776 1.196 -19.886 1.00 22.38 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? -21.108 0.448 -19.752 1.00 23.03 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? -22.068 0.949 -20.815 1.00 23.84 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? -20.929 -1.062 -19.855 1.00 23.65 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? -16.950 2.531 -18.748 1.00 20.98 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? -15.568 2.924 -19.060 1.00 20.62 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? -14.517 1.992 -18.441 1.00 20.33 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? -13.504 1.706 -19.081 1.00 20.77 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? -15.472 4.347 -18.491 1.00 20.82 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? -16.880 4.846 -18.535 1.00 20.98 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? -17.698 3.644 -18.134 1.00 20.68 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? -14.777 1.498 -17.233 1.00 19.69 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? -13.865 0.567 -16.566 1.00 19.31 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? -13.790 -0.746 -17.336 1.00 19.28 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? -12.725 -1.362 -17.416 1.00 18.54 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? -14.294 0.314 -15.126 1.00 19.54 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? -14.919 -1.180 -17.894 1.00 19.30 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? -14.941 -2.401 -18.697 1.00 20.11 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? -14.108 -2.234 -19.968 1.00 20.41 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? -13.346 -3.126 -20.329 1.00 20.28 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? -16.371 -2.820 -19.040 1.00 20.96 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? -16.525 -4.073 -19.918 1.00 21.87 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? -15.771 -5.272 -19.359 1.00 22.10 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? -17.996 -4.410 -20.090 1.00 22.27 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? -14.255 -1.098 -20.645 1.00 20.57 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? -13.418 -0.784 -21.811 1.00 22.42 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? -11.925 -0.858 -21.452 1.00 22.03 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? -11.119 -1.462 -22.174 1.00 21.65 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? -13.795 0.610 -22.331 1.00 24.17 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? -13.046 1.006 -23.588 1.00 26.29 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? -12.754 0.138 -24.431 1.00 28.11 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? -12.781 2.215 -23.746 1.00 28.37 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? -11.570 -0.268 -20.315 1.00 22.00 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? -10.194 -0.308 -19.811 1.00 22.81 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? -9.743 -1.737 -19.514 1.00 21.77 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? -8.604 -2.118 -19.805 1.00 21.08 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? -10.065 0.512 -18.520 1.00 24.50 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? -10.412 1.870 -18.787 1.00 28.01 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? -8.663 0.460 -17.966 1.00 25.19 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? -10.638 -2.520 -18.919 1.00 20.16 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? -10.324 -3.899 -18.546 1.00 19.75 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? -10.008 -4.749 -19.767 1.00 19.65 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -9.053 -5.517 -19.763 1.00 20.03 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? -11.477 -4.513 -17.771 1.00 19.57 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? -10.821 -4.614 -20.808 1.00 19.72 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? -10.607 -5.350 -22.044 1.00 20.30 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? -9.238 -4.986 -22.599 1.00 21.13 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -8.450 -5.862 -22.966 1.00 20.93 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? -11.695 -5.019 -23.082 1.00 20.52 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? -13.049 -5.552 -22.605 1.00 20.76 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? -11.353 -5.623 -24.434 1.00 20.65 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? -14.240 -4.922 -23.289 1.00 20.88 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? -8.959 -3.687 -22.642 1.00 21.87 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? -7.672 -3.197 -23.126 1.00 22.63 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -6.504 -3.773 -22.333 1.00 22.53 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -5.497 -4.181 -22.923 1.00 22.79 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? -7.631 -1.670 -23.097 1.00 23.54 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? -8.551 -1.144 -24.032 1.00 25.09 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -6.643 -3.817 -21.009 1.00 21.86 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -5.608 -4.370 -20.133 1.00 22.19 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -5.352 -5.845 -20.443 1.00 22.07 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -4.203 -6.294 -20.488 1.00 22.13 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -5.985 -4.193 -18.642 1.00 22.67 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? -5.939 -2.799 -18.307 1.00 23.57 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -5.036 -4.947 -17.710 1.00 23.04 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -6.418 -6.600 -20.675 1.00 21.51 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -6.268 -8.039 -20.871 1.00 22.05 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -5.658 -8.383 -22.221 1.00 23.52 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.184 -9.502 -22.412 1.00 23.90 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -7.606 -8.752 -20.688 1.00 21.54 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -8.189 -8.604 -19.285 1.00 21.40 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -9.554 -9.266 -19.226 1.00 22.02 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -7.285 -9.188 -18.212 1.00 21.44 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -5.637 -7.423 -23.145 1.00 25.03 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -5.065 -7.667 -24.467 1.00 27.96 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -3.582 -8.003 -24.406 1.00 30.23 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -3.083 -8.742 -25.258 1.00 30.92 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -5.272 -6.466 -25.390 1.00 28.84 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -6.688 -6.253 -25.918 1.00 30.15 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -6.762 -4.904 -26.614 1.00 30.99 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -7.098 -7.373 -26.862 1.00 30.75 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -2.884 -7.454 -23.414 1.00 31.86 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -1.453 -7.698 -23.250 1.00 34.87 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -1.117 -8.056 -21.817 1.00 33.59 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -1.409 -7.305 -20.885 1.00 34.85 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -0.656 -6.481 -23.694 1.00 37.67 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -0.881 -6.128 -25.127 1.00 40.75 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -1.591 -5.013 -25.516 1.00 42.77 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -0.534 -6.772 -26.266 1.00 42.40 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -1.648 -4.971 -26.835 1.00 43.21 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -1.015 -6.027 -27.314 1.00 43.54 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -0.473 -9.206 -21.666 1.00 31.55 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -0.295 -9.833 -20.372 1.00 29.55 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 0.438 -8.957 -19.366 1.00 29.30 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 1.508 -8.425 -19.648 1.00 28.36 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 0.470 -11.141 -20.533 1.00 28.85 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 0.702 -11.859 -19.231 1.00 27.49 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -0.364 -12.253 -18.433 1.00 27.22 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 1.988 -12.147 -18.796 1.00 27.36 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -0.153 -12.910 -17.235 1.00 26.66 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 2.210 -12.798 -17.601 1.00 27.12 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 1.135 -13.184 -16.826 1.00 26.74 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 1.351 -13.838 -15.640 1.00 26.57 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -0.137 -8.836 -18.194 1.00 28.36 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 0.456 -8.180 -17.049 1.00 28.51 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -0.396 -8.675 -15.878 1.00 27.04 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -1.494 -8.303 -15.741 1.00 26.14 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 0.352 -6.688 -17.260 1.00 30.10 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 0.750 -5.834 -16.062 1.00 32.11 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 0.796 -6.227 -14.907 1.00 32.56 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 0.994 -4.649 -16.332 1.00 35.57 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 0.118 -9.586 -15.086 1.00 26.00 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -0.744 -10.327 -14.150 1.00 25.64 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -1.329 -9.470 -13.031 1.00 25.74 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -2.462 -9.707 -12.602 1.00 24.00 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? -0.044 -11.562 -13.570 1.00 25.98 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 1.016 -11.210 -12.704 1.00 26.83 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -0.578 -8.476 -12.560 1.00 25.42 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -1.107 -7.564 -11.542 1.00 25.60 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -2.230 -6.704 -12.094 1.00 24.06 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -3.278 -6.586 -11.469 1.00 24.07 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? -0.022 -6.644 -10.968 1.00 26.88 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 0.988 -7.451 -10.360 1.00 27.80 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -0.610 -5.696 -9.923 1.00 27.04 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -2.000 -6.093 -13.252 1.00 22.94 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -3.024 -5.284 -13.904 1.00 22.62 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -4.233 -6.139 -14.270 1.00 22.06 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -5.372 -5.702 -14.128 1.00 21.63 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.463 -4.623 -15.150 1.00 22.86 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -3.976 -7.357 -14.742 1.00 21.47 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -5.049 -8.257 -15.162 1.00 21.01 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -5.979 -8.632 -14.009 1.00 20.68 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -7.177 -8.794 -14.221 1.00 20.36 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -4.482 -9.507 -15.805 1.00 21.22 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.439 -8.778 -12.801 1.00 20.14 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -6.272 -9.104 -11.635 1.00 20.39 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -7.351 -8.039 -11.404 1.00 20.31 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -8.522 -8.365 -11.181 1.00 19.56 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.417 -9.280 -10.391 1.00 20.72 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -6.955 -6.772 -11.471 1.00 20.45 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -7.897 -5.660 -11.366 1.00 20.33 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -8.894 -5.642 -12.511 1.00 20.32 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -10.089 -5.446 -12.290 1.00 20.88 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -8.406 -5.853 -13.733 1.00 19.50 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -9.274 -5.904 -14.915 1.00 19.22 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -10.289 -7.036 -14.790 1.00 19.27 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -11.453 -6.874 -15.145 1.00 19.47 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -8.453 -6.080 -16.179 1.00 18.82 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -9.845 -8.184 -14.287 1.00 19.60 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -10.738 -9.326 -14.131 1.00 19.82 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -11.805 -9.076 -13.074 1.00 19.99 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -12.941 -9.521 -13.236 1.00 20.20 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -9.953 -10.598 -13.816 1.00 20.41 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -9.165 -11.123 -15.015 1.00 20.49 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -8.054 -12.059 -14.559 1.00 20.95 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -10.099 -11.821 -15.991 1.00 20.87 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -11.461 -8.350 -12.012 1.00 19.88 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -12.463 -7.958 -11.021 1.00 19.62 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? -13.524 -7.088 -11.663 1.00 19.43 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? -14.708 -7.249 -11.378 1.00 19.95 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -11.833 -7.232 -9.832 1.00 19.92 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -11.084 -8.193 -8.912 1.00 20.29 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -10.217 -7.437 -7.922 1.00 21.14 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -12.050 -9.110 -8.180 1.00 20.40 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? -13.106 -6.191 -12.550 1.00 18.63 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? -14.057 -5.350 -13.265 1.00 19.05 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? -14.913 -6.210 -14.194 1.00 19.31 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? -16.142 -6.072 -14.228 1.00 18.97 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? -13.339 -4.244 -14.062 1.00 19.08 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? -14.307 -3.478 -14.948 1.00 19.08 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? -12.632 -3.294 -13.109 1.00 19.41 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? -14.255 -7.094 -14.938 1.00 19.36 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? -14.932 -7.934 -15.922 1.00 20.74 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? -15.997 -8.810 -15.275 1.00 20.83 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? -17.128 -8.882 -15.761 1.00 20.63 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -13.914 -8.812 -16.656 1.00 21.81 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -14.448 -9.873 -17.618 1.00 22.87 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -15.212 -9.224 -18.758 1.00 23.68 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -13.285 -10.695 -18.149 1.00 23.97 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -15.620 -9.469 -14.183 1.00 20.71 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -16.528 -10.368 -13.472 1.00 21.62 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? -17.778 -9.620 -13.030 1.00 21.73 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? -18.895 -10.096 -13.235 1.00 22.23 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -15.831 -11.033 -12.268 1.00 22.30 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -14.800 -12.035 -12.790 1.00 23.38 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -16.845 -11.718 -11.349 1.00 22.86 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -13.750 -12.414 -11.770 1.00 23.68 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? -17.593 -8.434 -12.464 1.00 21.50 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? -18.716 -7.693 -11.908 1.00 21.82 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? -19.629 -7.077 -12.958 1.00 21.71 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? -20.833 -6.970 -12.732 1.00 23.03 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? -18.220 -6.617 -10.968 1.00 22.08 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? -17.515 -7.189 -9.762 1.00 21.86 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? -17.032 -6.090 -8.870 1.00 22.42 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? -15.920 -5.584 -9.041 1.00 22.93 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? -17.881 -5.663 -7.954 1.00 21.70 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? -19.070 -6.668 -14.093 1.00 20.63 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? -19.869 -6.042 -15.148 1.00 20.86 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? -20.516 -7.045 -16.110 1.00 21.16 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? -21.305 -6.649 -16.968 1.00 22.18 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? -19.039 -5.023 -15.961 1.00 20.68 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? -17.905 -5.673 -16.548 1.00 21.83 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? -18.558 -3.892 -15.071 1.00 21.01 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? -20.168 -8.315 -15.997 1.00 21.20 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? -20.749 -9.337 -16.835 1.00 21.90 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? -21.468 -10.382 -15.976 1.00 22.08 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? -22.641 -10.335 -15.850 1.00 22.79 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? -19.723 -9.979 -17.763 1.00 22.25 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? -18.753 -10.666 -17.002 1.00 22.39 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? -19.040 -8.956 -18.588 1.00 22.24 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? -20.734 -11.269 -15.347 1.00 22.10 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -21.338 -12.288 -14.507 1.00 22.15 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? -22.273 -11.780 -13.429 1.00 22.17 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? -23.353 -12.236 -13.324 1.00 22.28 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -20.297 -13.169 -13.880 1.00 22.65 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? -21.827 -10.842 -12.627 1.00 21.87 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? -22.615 -10.374 -11.516 1.00 22.22 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? -23.862 -9.636 -11.981 1.00 21.35 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? -24.879 -9.796 -11.427 1.00 21.71 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? -21.787 -9.558 -10.522 1.00 23.31 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? -20.584 -10.302 -9.988 1.00 24.97 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? -20.886 -11.361 -8.950 1.00 26.61 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? -22.038 -11.777 -8.840 1.00 29.05 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -19.951 -11.778 -8.256 1.00 27.70 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? -23.745 -8.881 -13.045 1.00 20.07 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? -24.894 -8.206 -13.665 1.00 20.55 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? -25.901 -9.203 -14.237 1.00 20.44 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? -27.108 -8.950 -14.217 1.00 21.33 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? -24.430 -7.259 -14.759 1.00 20.60 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? -25.409 -10.317 -14.771 1.00 20.11 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? -26.297 -11.379 -15.256 1.00 20.24 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? -27.095 -11.970 -14.096 1.00 20.65 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? -28.280 -12.273 -14.244 1.00 21.72 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? -25.514 -12.468 -15.966 1.00 20.37 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? -26.460 -12.112 -12.940 1.00 20.51 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? -27.114 -12.725 -11.780 1.00 21.43 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? -28.139 -11.851 -11.065 1.00 21.64 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? -29.085 -12.380 -10.474 1.00 21.71 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? -26.067 -13.148 -10.758 1.00 21.74 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? -25.175 -14.274 -11.229 1.00 22.33 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -23.978 -14.359 -10.311 1.00 23.84 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -23.079 -15.461 -10.639 1.00 25.56 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -21.773 -15.458 -10.382 1.00 27.69 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -21.208 -14.396 -9.817 1.00 29.04 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -21.028 -16.507 -10.706 1.00 27.67 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? -27.940 -10.535 -11.086 1.00 21.26 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? -28.757 -9.611 -10.307 1.00 21.83 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? -29.128 -8.401 -11.125 1.00 22.74 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? -28.259 -7.680 -11.619 1.00 21.74 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? -28.001 -9.117 -9.084 1.00 21.84 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? -27.717 -10.181 -8.082 1.00 22.24 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? -28.711 -10.611 -7.217 1.00 22.67 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? -26.457 -10.750 -7.996 1.00 22.63 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? -28.451 -11.592 -6.278 1.00 23.17 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? -26.187 -11.728 -7.059 1.00 23.21 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? -27.188 -12.150 -6.196 1.00 23.26 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? -30.423 -8.159 -11.237 1.00 23.70 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? -30.905 -6.985 -11.938 1.00 25.50 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? -30.402 -5.685 -11.309 1.00 24.12 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? -30.125 -4.720 -12.024 1.00 24.24 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? -32.425 -6.985 -11.967 1.00 28.96 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? -33.000 -6.018 -12.977 1.00 32.97 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? -34.516 -6.048 -12.920 1.00 36.59 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? -35.118 -6.288 -14.293 1.00 39.22 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? -35.036 -5.084 -15.165 1.00 40.62 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? -30.278 -5.657 -9.986 1.00 23.37 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? -29.779 -4.470 -9.299 1.00 23.78 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? -28.375 -4.121 -9.787 1.00 22.63 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? -28.057 -2.951 -10.006 1.00 22.33 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? -29.776 -4.673 -7.785 1.00 25.01 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? -29.080 -3.567 -7.021 1.00 26.19 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? -29.746 -2.383 -6.703 1.00 27.27 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? -27.755 -3.700 -6.624 1.00 26.40 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? -29.109 -1.366 -6.009 1.00 28.01 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? -27.112 -2.692 -5.926 1.00 27.14 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? -27.792 -1.525 -5.622 1.00 28.04 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? -27.159 -0.518 -4.925 1.00 29.25 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? -27.542 -5.138 -9.974 1.00 21.71 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? -26.166 -4.902 -10.399 1.00 21.59 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? -26.129 -4.426 -11.852 1.00 21.78 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? -25.400 -3.486 -12.174 1.00 21.42 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? -25.279 -6.139 -10.155 1.00 21.27 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? -25.183 -6.385 -8.646 1.00 21.13 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? -23.899 -5.935 -10.765 1.00 21.32 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? -24.343 -7.572 -8.237 1.00 20.72 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? -26.940 -5.039 -12.712 1.00 21.85 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? -27.088 -4.578 -14.095 1.00 23.01 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? -27.442 -3.087 -14.133 1.00 22.74 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? -26.849 -2.318 -14.893 1.00 21.88 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? -28.157 -5.399 -14.829 1.00 24.15 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? -28.551 -4.857 -16.197 1.00 25.54 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? -29.720 -5.592 -16.829 1.00 27.31 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? -30.365 -6.432 -16.160 1.00 27.39 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? -30.006 -5.308 -18.010 1.00 29.38 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? -28.406 -2.694 -13.304 1.00 23.08 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? -28.824 -1.296 -13.201 1.00 24.33 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? -27.724 -0.382 -12.671 1.00 23.83 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? -27.587 0.747 -13.136 1.00 24.17 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? -30.073 -1.183 -12.331 1.00 26.49 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? -31.276 -1.828 -12.998 1.00 28.72 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? -32.495 -1.900 -12.105 1.00 31.51 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? -32.390 -1.926 -10.878 1.00 34.24 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? -33.665 -1.947 -12.721 1.00 33.73 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? -26.939 -0.867 -11.713 1.00 22.99 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? -25.810 -0.095 -11.207 1.00 23.86 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? -24.811 0.194 -12.316 1.00 22.63 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? -24.277 1.293 -12.393 1.00 21.96 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? -25.119 -0.818 -10.054 1.00 25.23 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? -25.951 -0.853 -8.788 1.00 26.91 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? -26.103 0.514 -8.152 1.00 28.95 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? -27.189 1.105 -8.164 1.00 31.89 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? -25.013 1.032 -7.603 1.00 29.84 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? -24.561 -0.791 -13.171 1.00 22.11 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? -23.628 -0.604 -14.277 1.00 22.16 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? -24.220 0.364 -15.310 1.00 22.86 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? -23.506 1.207 -15.852 1.00 22.09 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? -23.218 -1.953 -14.909 1.00 21.68 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? -22.550 -2.862 -13.863 1.00 22.23 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? -22.281 -1.741 -16.092 1.00 21.48 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? -21.493 -2.199 -13.002 1.00 22.59 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? -25.522 0.276 -15.554 1.00 23.35 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? -26.184 1.206 -16.476 1.00 24.18 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? -26.057 2.659 -16.014 1.00 24.58 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? -25.887 3.567 -16.832 1.00 25.79 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? -27.648 0.812 -16.668 1.00 24.87 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? -27.792 -0.424 -17.536 1.00 25.67 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? -29.208 -0.966 -17.588 1.00 27.08 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? -29.887 -1.071 -16.563 1.00 28.33 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? -29.657 -1.329 -18.783 1.00 28.37 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? -26.126 2.863 -14.704 1.00 25.12 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? -25.911 4.178 -14.097 1.00 26.34 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? -24.471 4.667 -14.278 1.00 25.51 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? -24.209 5.872 -14.251 1.00 25.99 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? -26.263 4.127 -12.611 1.00 28.99 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? -27.743 3.889 -12.365 1.00 31.56 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? -28.100 3.767 -10.896 1.00 34.42 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? -29.264 3.416 -10.602 1.00 38.06 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? -27.227 4.022 -10.036 1.00 37.18 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? -23.551 3.721 -14.465 1.00 23.60 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? -22.138 4.010 -14.676 1.00 23.01 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? -21.742 3.847 -16.142 1.00 22.79 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? -20.605 3.474 -16.445 1.00 23.44 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? -21.297 3.071 -13.808 1.00 22.70 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? -21.483 3.251 -12.314 1.00 23.34 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? -21.149 1.964 -11.570 1.00 23.67 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? -21.009 2.167 -10.134 1.00 24.34 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? -22.026 2.388 -9.302 1.00 25.24 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? -23.274 2.447 -9.755 1.00 25.31 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? -21.794 2.563 -8.008 1.00 26.16 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? -22.663 4.138 -17.059 1.00 22.49 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? -22.387 3.968 -18.485 1.00 22.12 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? -21.303 4.917 -18.983 1.00 22.38 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? -20.567 4.573 -19.901 1.00 22.78 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? -23.653 4.155 -19.313 1.00 22.45 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? -21.220 6.112 -18.397 1.00 22.36 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? -20.284 7.144 -18.881 1.00 23.08 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? -19.369 7.707 -17.793 1.00 23.37 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? -18.610 8.653 -18.036 1.00 23.51 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? -21.059 8.292 -19.541 1.00 23.89 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? -22.133 7.831 -20.497 1.00 24.42 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? -21.810 7.098 -21.634 1.00 25.46 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? -23.475 8.126 -20.266 1.00 26.22 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? -22.791 6.669 -22.511 1.00 25.89 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? -24.461 7.703 -21.138 1.00 26.61 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? -24.114 6.975 -22.257 1.00 26.73 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? -25.090 6.554 -23.126 1.00 28.08 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? -19.438 7.119 -16.604 1.00 23.46 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? -18.628 7.527 -15.468 1.00 24.76 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? -18.522 6.359 -14.511 1.00 24.50 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? -19.537 5.919 -13.969 1.00 24.51 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? -19.279 8.693 -14.728 1.00 26.40 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? -18.558 9.054 -13.438 1.00 28.78 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? -19.199 10.235 -12.741 1.00 31.37 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? -20.479 9.881 -12.128 1.00 34.11 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? -21.353 10.761 -11.643 1.00 36.46 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? -21.104 12.063 -11.703 1.00 37.34 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? -22.490 10.342 -11.103 1.00 37.87 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? -17.309 5.869 -14.279 1.00 23.93 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? -17.118 4.798 -13.305 1.00 24.50 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? -17.348 5.272 -11.879 1.00 24.65 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? -17.186 6.449 -11.553 1.00 24.46 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? -15.709 4.208 -13.374 1.00 25.15 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? -15.375 3.632 -14.725 1.00 25.83 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? -16.270 3.059 -15.380 1.00 26.88 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? -14.192 3.730 -15.124 1.00 27.36 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? -17.712 4.323 -11.027 1.00 24.27 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? -17.849 4.576 -9.607 1.00 25.43 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? -17.701 3.241 -8.901 1.00 24.73 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? -18.140 2.211 -9.417 1.00 23.23 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? -19.213 5.206 -9.311 1.00 27.63 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? -19.426 5.619 -7.859 1.00 29.93 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? -20.834 6.118 -7.588 1.00 32.58 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? -21.473 6.661 -8.516 1.00 35.27 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? -21.302 5.972 -6.438 1.00 34.97 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? -17.060 3.255 -7.738 1.00 25.00 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? -16.931 2.041 -6.937 1.00 25.44 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? -18.322 1.450 -6.676 1.00 25.48 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? -19.312 2.185 -6.601 1.00 23.94 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? -16.183 2.281 -5.602 1.00 26.31 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? -14.729 2.669 -5.858 1.00 26.30 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? -16.886 3.327 -4.743 1.00 26.83 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? -18.406 0.116 -6.569 1.00 26.16 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? -19.708 -0.514 -6.352 1.00 26.72 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? -20.344 -0.090 -5.039 1.00 26.94 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? -19.635 0.183 -4.071 1.00 27.50 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? -19.390 -2.016 -6.314 1.00 26.77 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? -17.916 -2.131 -6.196 1.00 26.94 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? -17.322 -0.866 -6.724 1.00 26.35 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? -21.673 -0.041 -5.007 1.00 27.06 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? -22.382 0.201 -3.760 1.00 27.74 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? -22.150 -0.977 -2.812 1.00 28.33 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? -21.848 -2.094 -3.246 1.00 27.85 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? -23.880 0.404 -4.010 1.00 27.64 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? -24.499 -0.789 -4.460 1.00 28.17 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? -22.273 -0.714 -1.516 1.00 29.54 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? -22.193 -1.765 -0.503 1.00 30.48 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? -23.227 -2.866 -0.773 1.00 29.37 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? -22.959 -4.047 -0.538 1.00 29.51 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? -22.398 -1.171 0.894 1.00 32.50 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? -21.286 -0.367 1.274 1.00 35.64 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? -24.396 -2.474 -1.278 1.00 28.65 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? -25.441 -3.431 -1.650 1.00 28.15 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? -24.966 -4.370 -2.759 1.00 27.35 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? -25.192 -5.583 -2.698 1.00 27.22 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? -26.705 -2.701 -2.077 1.00 28.36 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? -24.300 -3.808 -3.765 1.00 25.83 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? -23.716 -4.603 -4.845 1.00 25.49 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? -22.762 -5.681 -4.304 1.00 25.11 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? -22.873 -6.849 -4.672 1.00 25.22 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? -22.978 -3.702 -5.863 1.00 25.09 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? -23.925 -2.893 -6.574 1.00 26.28 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? -22.201 -4.535 -6.861 1.00 24.58 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? -21.833 -5.291 -3.433 1.00 25.37 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? -20.866 -6.237 -2.853 1.00 26.03 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? -21.577 -7.339 -2.064 1.00 25.50 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? -21.215 -8.519 -2.148 1.00 23.32 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? -19.855 -5.526 -1.918 1.00 27.16 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? -19.020 -4.488 -2.685 1.00 28.33 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? -18.933 -6.530 -1.230 1.00 27.63 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? -18.060 -5.062 -3.707 1.00 29.03 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? -22.582 -6.938 -1.294 1.00 26.44 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? -23.353 -7.874 -0.483 1.00 26.92 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? -24.024 -8.938 -1.357 1.00 25.68 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? -23.957 -10.132 -1.047 1.00 25.68 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? -24.388 -7.118 0.355 1.00 28.26 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? -25.199 -8.011 1.099 1.00 30.78 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? -24.646 -8.502 -2.454 1.00 24.37 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? -25.318 -9.422 -3.386 1.00 24.35 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? -24.341 -10.398 -4.026 1.00 24.09 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? -24.626 -11.592 -4.132 1.00 23.32 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? -26.055 -8.658 -4.487 1.00 24.94 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? -27.242 -7.809 -4.042 1.00 25.35 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? -27.699 -6.928 -5.188 1.00 25.57 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? -28.385 -8.686 -3.546 1.00 25.15 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? -23.190 -9.887 -4.460 1.00 23.69 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? -22.142 -10.734 -5.035 1.00 23.71 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? -21.734 -11.836 -4.066 1.00 23.80 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -21.627 -13.009 -4.438 1.00 24.07 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? -20.905 -9.900 -5.378 1.00 24.28 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? -21.123 -8.887 -6.490 1.00 24.98 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? -19.957 -7.931 -6.679 1.00 25.78 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? -18.977 -7.989 -5.902 1.00 27.01 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? -20.026 -7.109 -7.619 1.00 25.48 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? -21.499 -11.431 -2.824 1.00 24.19 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -21.083 -12.334 -1.758 1.00 25.19 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -22.166 -13.335 -1.354 1.00 26.13 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -21.854 -14.391 -0.801 1.00 27.77 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? -20.650 -11.521 -0.531 1.00 25.37 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -19.333 -10.794 -0.743 1.00 25.70 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -18.564 -11.128 -1.643 1.00 27.04 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? -19.068 -9.790 0.087 1.00 25.64 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? -23.424 -13.011 -1.651 1.00 26.93 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? -24.570 -13.800 -1.189 1.00 27.36 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -25.242 -14.685 -2.241 1.00 26.74 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -26.232 -15.356 -1.931 1.00 26.50 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? -25.617 -12.854 -0.600 1.00 28.25 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? -25.074 -12.140 0.497 1.00 29.16 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -24.727 -14.708 -3.467 1.00 24.71 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -25.425 -15.406 -4.546 1.00 24.59 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -25.572 -16.893 -4.271 1.00 25.31 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -26.642 -17.459 -4.492 1.00 26.05 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -24.715 -15.209 -5.875 1.00 23.23 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -25.421 -15.831 -7.038 1.00 22.60 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -26.681 -15.550 -7.484 1.00 21.95 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -24.896 -16.824 -7.919 1.00 21.95 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -26.973 -16.313 -8.589 1.00 21.80 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -25.893 -17.103 -8.880 1.00 21.83 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -23.674 -17.501 -7.997 1.00 22.27 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -25.709 -18.034 -9.900 1.00 21.92 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -23.491 -18.424 -9.005 1.00 21.86 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -24.501 -18.681 -9.951 1.00 22.11 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -24.501 -17.524 -3.801 1.00 26.19 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -24.543 -18.950 -3.483 1.00 28.16 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -25.562 -19.217 -2.374 1.00 27.53 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -26.422 -20.099 -2.507 1.00 27.74 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -23.160 -19.446 -3.060 1.00 29.35 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -23.148 -20.858 -2.945 1.00 31.69 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -25.458 -18.442 -1.296 1.00 27.79 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -26.391 -18.512 -0.168 1.00 28.11 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -27.848 -18.335 -0.566 1.00 28.11 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -28.699 -19.147 -0.194 1.00 27.54 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -28.135 -17.279 -1.325 1.00 27.48 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -29.502 -17.000 -1.791 1.00 27.31 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -30.040 -18.079 -2.709 1.00 26.44 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -31.202 -18.478 -2.599 1.00 25.60 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? -29.562 -15.675 -2.548 1.00 28.34 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? -29.577 -14.397 -1.724 1.00 29.42 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? -29.368 -13.209 -2.651 1.00 30.15 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? -30.882 -14.253 -0.950 1.00 29.90 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -29.196 -18.519 -3.636 1.00 24.86 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -29.552 -19.579 -4.561 1.00 25.30 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -29.988 -20.812 -3.785 1.00 26.76 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -30.999 -21.441 -4.109 1.00 26.79 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -28.363 -19.917 -5.457 1.00 25.00 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -28.164 -18.896 -6.419 1.00 24.23 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -29.228 -21.134 -2.747 1.00 27.78 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -29.516 -22.294 -1.925 1.00 28.79 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -30.839 -22.155 -1.178 1.00 28.44 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -31.674 -23.061 -1.224 1.00 28.07 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -28.399 -22.510 -0.912 1.00 31.08 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -28.529 -23.826 -0.171 1.00 33.36 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -27.545 -23.924 0.974 1.00 35.67 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -27.455 -25.357 1.464 1.00 37.96 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -26.386 -25.516 2.483 1.00 39.95 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -31.011 -21.035 -0.480 1.00 27.41 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -32.194 -20.819 0.365 1.00 27.73 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -33.486 -20.730 -0.448 1.00 27.67 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -34.539 -21.198 -0.002 1.00 27.92 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -32.028 -19.569 1.244 1.00 28.46 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -30.967 -19.690 2.329 1.00 29.37 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -31.173 -20.908 3.209 1.00 30.93 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -32.301 -21.214 3.602 1.00 32.37 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -30.089 -21.618 3.514 1.00 31.69 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -33.406 -20.136 -1.636 1.00 26.54 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -34.535 -20.119 -2.570 1.00 26.28 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -34.916 -21.539 -2.995 1.00 26.86 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -36.096 -21.862 -3.082 1.00 26.62 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? -34.233 -19.242 -3.808 1.00 25.80 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? -34.163 -17.774 -3.387 1.00 25.45 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? -35.294 -19.416 -4.892 1.00 26.08 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? -33.517 -16.876 -4.420 1.00 25.27 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -33.925 -22.384 -3.255 1.00 27.56 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -34.205 -23.778 -3.579 1.00 28.46 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -34.748 -24.550 -2.385 1.00 29.17 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -35.637 -25.381 -2.552 1.00 30.10 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -32.970 -24.465 -4.143 1.00 28.59 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -32.753 -24.075 -5.587 1.00 28.34 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -31.378 -24.430 -6.099 1.00 28.62 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -31.133 -25.556 -6.518 1.00 28.72 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -30.477 -23.456 -6.094 1.00 28.47 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -34.231 -24.271 -1.190 1.00 29.10 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -34.710 -24.954 0.018 1.00 30.52 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -36.134 -24.544 0.349 1.00 30.48 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -36.906 -25.338 0.888 1.00 30.49 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -33.811 -24.665 1.220 1.00 31.53 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -32.407 -25.264 1.186 1.00 32.67 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -31.631 -24.863 2.428 1.00 33.40 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -32.468 -26.776 1.077 1.00 33.63 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -36.478 -23.306 0.018 1.00 29.94 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -37.823 -22.793 0.250 1.00 30.68 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -38.918 -23.580 -0.491 1.00 31.78 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -40.076 -23.565 -0.064 1.00 31.52 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? -37.882 -21.318 -0.120 1.00 30.64 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -38.557 -24.269 -1.577 1.00 33.77 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -39.514 -25.060 -2.374 1.00 36.35 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -40.349 -26.051 -1.559 1.00 36.48 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -41.527 -26.251 -1.855 1.00 39.31 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -38.802 -25.849 -3.476 1.00 38.82 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -38.472 -25.075 -4.739 1.00 41.24 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -37.915 -25.983 -5.822 1.00 42.73 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -38.586 -26.264 -6.817 1.00 44.62 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -36.692 -26.468 -5.621 1.00 43.37 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -39.735 -26.689 -0.566 1.00 35.37 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -40.441 -27.636 0.309 1.00 33.51 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -40.641 -27.110 1.718 1.00 32.37 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -40.877 -27.879 2.652 1.00 33.30 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -40.554 -25.795 1.868 1.00 30.35 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -40.671 -25.159 3.163 1.00 29.54 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -41.607 -23.951 3.070 1.00 27.50 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? -41.467 -22.978 3.806 1.00 26.70 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -39.265 -24.798 3.671 1.00 30.71 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -39.238 -24.363 5.129 1.00 31.78 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -38.564 -23.398 5.477 1.00 34.26 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -39.947 -25.076 5.988 1.00 32.58 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? -42.585 -24.053 2.167 1.00 26.56 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? -43.640 -23.052 2.005 1.00 26.31 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? -43.119 -21.658 1.680 1.00 26.70 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? -43.680 -20.657 2.124 1.00 26.57 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? -44.517 -23.002 3.260 1.00 26.21 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? -45.305 -24.277 3.460 1.00 25.04 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? -45.947 -24.764 2.528 1.00 25.76 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? -45.266 -24.823 4.668 1.00 25.41 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? -42.045 -21.596 0.902 1.00 26.53 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? -41.454 -20.313 0.529 1.00 27.23 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? -40.581 -19.673 1.594 1.00 27.55 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? -40.108 -18.548 1.404 1.00 27.27 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? -40.350 -20.381 2.700 1.00 28.29 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? -39.583 -19.859 3.828 1.00 29.35 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? -38.156 -20.408 3.766 1.00 30.37 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? -37.953 -21.604 3.565 1.00 30.59 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? -40.268 -20.229 5.166 1.00 29.67 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? -39.424 -19.817 6.368 1.00 29.86 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? -41.647 -19.585 5.232 1.00 29.85 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? -37.173 -19.521 3.910 1.00 31.78 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? -35.764 -19.916 3.956 1.00 32.27 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -35.483 -20.742 5.211 1.00 33.86 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? -35.943 -20.394 6.301 1.00 33.90 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? -34.860 -18.681 4.014 1.00 32.21 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? -34.778 -17.884 2.733 1.00 31.64 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? -35.592 -18.141 1.628 1.00 31.09 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? -33.870 -16.839 2.654 1.00 31.76 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? -35.479 -17.377 0.473 1.00 30.99 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? -33.758 -16.073 1.506 1.00 31.25 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? -34.561 -16.340 0.415 1.00 31.18 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -34.710 -21.814 5.063 1.00 35.18 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -34.256 -22.599 6.215 1.00 36.87 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -33.314 -21.771 7.104 1.00 37.78 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -33.358 -21.877 8.331 1.00 37.86 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -33.563 -23.883 5.750 1.00 37.88 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -34.462 -24.836 4.971 1.00 38.78 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -35.343 -25.674 5.883 1.00 39.63 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -36.244 -26.536 5.121 1.00 40.28 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -37.141 -27.359 5.660 1.00 39.92 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -37.268 -27.447 6.980 1.00 39.46 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -37.911 -28.104 4.873 1.00 39.86 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -32.477 -20.946 6.473 1.00 37.98 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -31.561 -20.042 7.172 1.00 38.86 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -31.667 -18.645 6.550 1.00 38.76 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -31.547 -18.512 5.334 1.00 37.05 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -30.101 -20.514 7.043 1.00 39.72 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -30.007 -21.902 7.391 1.00 40.69 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -29.180 -19.701 7.951 1.00 39.92 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? -31.889 -17.601 7.373 1.00 39.09 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? -31.998 -16.248 6.815 1.00 39.12 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? -30.700 -15.746 6.181 1.00 38.60 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? -29.617 -16.030 6.692 1.00 39.21 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? -32.353 -15.394 8.038 1.00 39.94 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? -32.984 -16.349 8.991 1.00 40.17 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? -32.191 -17.608 8.817 1.00 39.74 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? -30.823 -15.014 5.074 1.00 38.24 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? -29.673 -14.421 4.382 1.00 37.89 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? -29.577 -12.940 4.748 1.00 38.06 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? -30.537 -12.191 4.560 1.00 36.91 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? -29.803 -14.579 2.848 1.00 38.07 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? -29.650 -15.958 2.486 1.00 37.94 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? -28.752 -13.740 2.101 1.00 37.78 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? -28.425 -12.518 5.272 1.00 38.52 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? -28.213 -11.112 5.642 1.00 38.79 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? -27.604 -10.316 4.480 1.00 37.72 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? -26.565 -10.697 3.937 1.00 36.57 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? -27.303 -10.964 6.885 1.00 40.08 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? -27.218 -9.503 7.306 1.00 41.20 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? -27.821 -11.805 8.045 1.00 40.76 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? -28.254 -9.205 4.129 1.00 37.19 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? -27.819 -8.322 3.039 1.00 37.00 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? -27.793 -6.846 3.445 1.00 38.28 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? -28.413 -6.451 4.431 1.00 39.15 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? -28.777 -8.435 1.860 1.00 36.13 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? -28.908 -9.721 1.053 1.00 35.53 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? -29.984 -9.487 0.005 1.00 35.66 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? -27.595 -10.121 0.402 1.00 35.27 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? -27.098 -6.035 2.648 1.00 38.97 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? -27.116 -4.579 2.791 1.00 40.00 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? -28.020 -4.009 1.703 1.00 41.06 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? -27.899 -4.395 0.540 1.00 39.32 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? -25.704 -3.979 2.642 1.00 40.46 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? -25.746 -2.461 2.763 1.00 40.70 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? -24.761 -4.570 3.680 1.00 40.50 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? -28.920 -3.098 2.071 1.00 42.99 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? -29.839 -2.503 1.089 1.00 46.31 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? -29.219 -1.261 0.445 1.00 47.59 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? -28.134 -0.829 0.839 1.00 46.01 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? -31.226 -2.208 1.700 1.00 47.81 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? -31.169 -1.304 2.925 1.00 49.37 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? -30.286 -0.422 2.996 1.00 51.04 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? -32.030 -1.473 3.817 1.00 51.20 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? -29.904 -0.699 -0.549 1.00 51.29 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? -29.415 0.492 -1.261 1.00 54.75 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? -29.033 1.648 -0.325 1.00 56.51 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? -28.117 2.417 -0.622 1.00 57.40 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? -30.455 0.970 -2.285 1.00 55.55 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? -31.782 0.754 -1.816 1.00 56.62 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? -29.728 1.748 0.808 1.00 58.64 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? -29.507 2.821 1.784 1.00 59.88 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? -28.243 2.622 2.622 1.00 58.71 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? -27.788 3.558 3.281 1.00 59.37 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? -30.695 2.928 2.751 1.00 61.90 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? -32.075 2.903 2.113 1.00 63.19 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? -32.429 4.243 1.501 1.00 64.34 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? -33.617 4.114 0.568 1.00 65.35 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? -33.999 5.437 0.008 1.00 65.78 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? -27.695 1.408 2.617 1.00 57.19 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? -26.552 1.068 3.462 1.00 56.43 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? -26.937 0.390 4.769 1.00 56.54 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? -26.080 0.174 5.627 1.00 56.79 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? -28.219 0.049 4.923 1.00 56.52 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? -28.707 -0.652 6.118 1.00 57.02 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? -28.690 -2.171 5.931 1.00 56.53 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? -29.067 -2.673 4.871 1.00 56.07 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? -30.130 -0.206 6.465 1.00 57.18 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? -30.245 1.294 6.658 1.00 57.19 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? -29.494 1.889 7.431 1.00 57.07 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? -31.191 1.915 5.959 1.00 57.35 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? -28.264 -2.890 6.969 1.00 56.58 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? -28.202 -4.359 6.950 1.00 56.52 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? -29.585 -4.962 7.209 1.00 54.13 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? -30.239 -4.619 8.194 1.00 53.71 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? -27.169 -4.868 7.972 1.00 58.29 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? -27.364 -6.293 8.499 1.00 59.98 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? -27.892 -6.301 9.931 1.00 61.22 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? -28.211 -7.643 10.431 1.00 62.23 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? -29.409 -8.055 10.855 1.00 62.51 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? -29.549 -9.302 11.287 1.00 62.66 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? -30.469 -7.248 10.858 1.00 62.75 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? -30.018 -5.859 6.321 1.00 51.35 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? -31.366 -6.436 6.384 1.00 49.27 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? -31.360 -7.963 6.223 1.00 47.00 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? -30.483 -8.522 5.563 1.00 46.97 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? -32.303 -5.775 5.343 1.00 48.96 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? -32.365 -4.272 5.581 1.00 49.62 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? -31.857 -6.063 3.914 1.00 49.45 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? -32.338 -8.622 6.846 1.00 44.52 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? -32.483 -10.078 6.773 1.00 43.34 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? -33.524 -10.475 5.734 1.00 39.97 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? -34.625 -9.927 5.707 1.00 38.66 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? -32.898 -10.660 8.129 1.00 45.33 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? -31.814 -10.608 9.194 1.00 47.38 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? -31.848 -11.806 10.130 1.00 49.40 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? -32.920 -12.295 10.496 1.00 50.32 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? -30.669 -12.285 10.525 1.00 50.51 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? -33.164 -11.436 4.891 1.00 37.01 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? -34.073 -12.004 3.901 1.00 35.24 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? -34.480 -13.369 4.443 1.00 34.75 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? -33.616 -14.192 4.740 1.00 34.45 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? -33.373 -12.164 2.537 1.00 34.55 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? -32.611 -10.881 2.167 1.00 34.60 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? -34.370 -12.543 1.451 1.00 34.30 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? -33.458 -9.625 2.132 1.00 34.87 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? -35.781 -13.602 4.601 1.00 34.74 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? -36.256 -14.828 5.260 1.00 34.12 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? -37.188 -15.697 4.424 1.00 33.10 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? -37.439 -16.849 4.779 1.00 33.09 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? -36.983 -14.508 6.579 1.00 35.31 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? -38.138 -13.700 6.316 1.00 35.31 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? -36.051 -13.785 7.545 1.00 35.62 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? -37.707 -15.154 3.330 1.00 31.09 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? -38.655 -15.880 2.511 1.00 31.39 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? -38.706 -15.321 1.097 1.00 30.36 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? -38.126 -14.268 0.810 1.00 30.19 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? -40.040 -15.885 3.184 1.00 32.36 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? -40.687 -14.509 3.240 1.00 34.06 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? -41.138 -13.992 2.220 1.00 34.14 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? -40.756 -13.919 4.436 1.00 38.64 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? -39.397 -16.036 0.217 1.00 29.32 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? -39.397 -15.719 -1.215 1.00 29.48 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? -40.231 -14.492 -1.620 1.00 29.99 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? -40.226 -14.118 -2.791 1.00 30.18 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? -39.857 -16.924 -2.067 1.00 29.74 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? -38.897 -18.095 -1.898 1.00 29.34 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? -41.295 -17.320 -1.727 1.00 29.68 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? -40.947 -13.878 -0.676 1.00 31.03 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? -41.707 -12.652 -0.973 1.00 32.30 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? -40.821 -11.407 -0.967 1.00 32.47 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? -41.274 -10.329 -1.340 1.00 33.38 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? -42.879 -12.403 0.010 1.00 32.76 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? -42.379 -11.999 1.292 1.00 33.94 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? -43.747 -13.642 0.158 1.00 33.38 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? -39.571 -11.550 -0.533 1.00 32.77 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? -38.647 -10.425 -0.501 1.00 32.93 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? -38.347 -9.940 -1.922 1.00 32.07 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? -38.292 -10.733 -2.863 1.00 30.06 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? -37.361 -10.810 0.233 1.00 34.29 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? -36.345 -9.845 0.023 1.00 36.41 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? -38.179 -8.626 -2.064 1.00 32.56 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? -37.876 -8.010 -3.358 1.00 32.94 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? -36.635 -8.601 -4.025 1.00 30.10 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? -36.565 -8.674 -5.250 1.00 29.23 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? -37.720 -6.483 -3.214 1.00 35.52 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? -38.988 -5.720 -3.580 1.00 38.56 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? -39.722 -6.108 -4.491 1.00 41.67 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? -39.238 -4.612 -2.885 1.00 40.13 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? -35.659 -9.023 -3.226 1.00 29.42 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? -34.459 -9.649 -3.787 1.00 28.25 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? -34.797 -10.927 -4.564 1.00 27.28 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? -34.168 -11.216 -5.579 1.00 26.47 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? -33.370 -9.909 -2.720 1.00 29.23 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? -33.833 -10.913 -1.678 1.00 30.10 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? -32.081 -10.384 -3.377 1.00 29.00 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? -35.805 -11.674 -4.108 1.00 26.06 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? -36.222 -12.904 -4.792 1.00 25.95 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? -37.204 -12.651 -5.946 1.00 26.00 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? -37.110 -13.300 -6.990 1.00 27.06 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? -36.845 -13.920 -3.805 1.00 25.62 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? -37.209 -15.205 -4.533 1.00 25.81 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? -35.888 -14.215 -2.658 1.00 25.59 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? -38.141 -11.719 -5.759 1.00 27.31 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? -39.213 -11.485 -6.737 1.00 28.39 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? -38.797 -10.606 -7.915 1.00 28.82 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? -39.377 -10.704 -8.999 1.00 30.78 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? -40.466 -10.865 -6.076 1.00 28.26 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? -40.130 -9.626 -5.438 1.00 28.25 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? -41.049 -11.818 -5.043 1.00 28.86 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? -37.789 -9.764 -7.712 1.00 29.93 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? -37.435 -8.748 -8.707 1.00 30.43 ? 235 SER A CA 1 ATOM 1818 C C . SER A 1 235 ? -35.976 -8.797 -9.179 1.00 30.03 ? 235 SER A C 1 ATOM 1819 O O . SER A 1 235 ? -35.687 -8.546 -10.353 1.00 32.93 ? 235 SER A O 1 ATOM 1820 C CB . SER A 1 235 ? -37.750 -7.364 -8.132 1.00 31.62 ? 235 SER A CB 1 ATOM 1821 O OG . SER A 1 235 ? -39.077 -7.316 -7.628 1.00 33.95 ? 235 SER A OG 1 ATOM 1822 N N . ASN A 1 236 ? -35.071 -9.157 -8.279 1.00 27.36 ? 236 ASN A N 1 ATOM 1823 C CA . ASN A 1 236 ? -33.651 -8.871 -8.438 1.00 25.81 ? 236 ASN A CA 1 ATOM 1824 C C . ASN A 1 236 ? -32.860 -10.069 -8.987 1.00 24.36 ? 236 ASN A C 1 ATOM 1825 O O . ASN A 1 236 ? -32.362 -10.016 -10.112 1.00 23.92 ? 236 ASN A O 1 ATOM 1826 C CB . ASN A 1 236 ? -33.129 -8.398 -7.079 1.00 25.59 ? 236 ASN A CB 1 ATOM 1827 C CG . ASN A 1 236 ? -31.726 -7.827 -7.129 1.00 25.45 ? 236 ASN A CG 1 ATOM 1828 O OD1 . ASN A 1 236 ? -31.029 -7.901 -8.140 1.00 25.82 ? 236 ASN A OD1 1 ATOM 1829 N ND2 . ASN A 1 236 ? -31.302 -7.254 -6.010 1.00 25.95 ? 236 ASN A ND2 1 ATOM 1830 N N . ILE A 1 237 ? -32.759 -11.152 -8.218 1.00 23.88 ? 237 ILE A N 1 ATOM 1831 C CA . ILE A 1 237 ? -31.986 -12.320 -8.657 1.00 23.15 ? 237 ILE A CA 1 ATOM 1832 C C . ILE A 1 237 ? -32.555 -12.908 -9.957 1.00 23.49 ? 237 ILE A C 1 ATOM 1833 O O . ILE A 1 237 ? -33.771 -13.042 -10.100 1.00 22.91 ? 237 ILE A O 1 ATOM 1834 C CB . ILE A 1 237 ? -31.874 -13.400 -7.550 1.00 23.01 ? 237 ILE A CB 1 ATOM 1835 C CG1 . ILE A 1 237 ? -30.833 -14.452 -7.937 1.00 22.89 ? 237 ILE A CG1 1 ATOM 1836 C CG2 . ILE A 1 237 ? -33.216 -14.073 -7.276 1.00 22.91 ? 237 ILE A CG2 1 ATOM 1837 C CD1 . ILE A 1 237 ? -30.310 -15.247 -6.763 1.00 23.34 ? 237 ILE A CD1 1 ATOM 1838 N N . GLN A 1 238 ? -31.674 -13.231 -10.907 1.00 22.65 ? 238 GLN A N 1 ATOM 1839 C CA . GLN A 1 238 ? -32.089 -13.689 -12.243 1.00 23.59 ? 238 GLN A CA 1 ATOM 1840 C C . GLN A 1 238 ? -31.642 -15.110 -12.591 1.00 22.80 ? 238 GLN A C 1 ATOM 1841 O O . GLN A 1 238 ? -32.106 -15.683 -13.584 1.00 23.68 ? 238 GLN A O 1 ATOM 1842 C CB . GLN A 1 238 ? -31.560 -12.722 -13.307 1.00 24.41 ? 238 GLN A CB 1 ATOM 1843 C CG . GLN A 1 238 ? -32.036 -11.287 -13.145 1.00 25.53 ? 238 GLN A CG 1 ATOM 1844 C CD . GLN A 1 238 ? -33.538 -11.138 -13.316 1.00 26.66 ? 238 GLN A CD 1 ATOM 1845 O OE1 . GLN A 1 238 ? -34.100 -11.598 -14.307 1.00 29.33 ? 238 GLN A OE1 1 ATOM 1846 N NE2 . GLN A 1 238 ? -34.191 -10.484 -12.360 1.00 27.15 ? 238 GLN A NE2 1 ATOM 1847 N N . LEU A 1 239 ? -30.734 -15.663 -11.790 1.00 22.29 ? 239 LEU A N 1 ATOM 1848 C CA . LEU A 1 239 ? -30.169 -16.994 -12.015 1.00 22.79 ? 239 LEU A CA 1 ATOM 1849 C C . LEU A 1 239 ? -29.872 -17.641 -10.664 1.00 23.04 ? 239 LEU A C 1 ATOM 1850 O O . LEU A 1 239 ? -29.396 -16.971 -9.744 1.00 22.84 ? 239 LEU A O 1 ATOM 1851 C CB . LEU A 1 239 ? -28.868 -16.906 -12.822 1.00 22.61 ? 239 LEU A CB 1 ATOM 1852 C CG . LEU A 1 239 ? -28.869 -16.191 -14.175 1.00 23.10 ? 239 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 239 ? -27.433 -15.901 -14.594 1.00 23.34 ? 239 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 239 ? -29.586 -17.007 -15.240 1.00 23.53 ? 239 LEU A CD2 1 ATOM 1855 N N . LEU A 1 240 ? -30.162 -18.938 -10.551 1.00 23.79 ? 240 LEU A N 1 ATOM 1856 C CA . LEU A 1 240 ? -29.884 -19.703 -9.336 1.00 24.68 ? 240 LEU A CA 1 ATOM 1857 C C . LEU A 1 240 ? -28.789 -20.735 -9.576 1.00 24.64 ? 240 LEU A C 1 ATOM 1858 O O . LEU A 1 240 ? -28.877 -21.558 -10.489 1.00 25.57 ? 240 LEU A O 1 ATOM 1859 C CB . LEU A 1 240 ? -31.145 -20.417 -8.831 1.00 25.25 ? 240 LEU A CB 1 ATOM 1860 C CG . LEU A 1 240 ? -32.366 -19.538 -8.558 1.00 25.49 ? 240 LEU A CG 1 ATOM 1861 C CD1 . LEU A 1 240 ? -33.592 -20.396 -8.267 1.00 26.19 ? 240 LEU A CD1 1 ATOM 1862 C CD2 . LEU A 1 240 ? -32.110 -18.565 -7.421 1.00 25.92 ? 240 LEU A CD2 1 ATOM 1863 N N . LEU A 1 241 ? -27.748 -20.663 -8.755 1.00 25.57 ? 241 LEU A N 1 ATOM 1864 C CA . LEU A 1 241 ? -26.751 -21.710 -8.678 1.00 26.36 ? 241 LEU A CA 1 ATOM 1865 C C . LEU A 1 241 ? -27.428 -22.966 -8.151 1.00 27.15 ? 241 LEU A C 1 ATOM 1866 O O . LEU A 1 241 ? -28.039 -22.935 -7.080 1.00 27.15 ? 241 LEU A O 1 ATOM 1867 C CB . LEU A 1 241 ? -25.639 -21.293 -7.719 1.00 26.53 ? 241 LEU A CB 1 ATOM 1868 C CG . LEU A 1 241 ? -24.438 -22.227 -7.597 1.00 26.75 ? 241 LEU A CG 1 ATOM 1869 C CD1 . LEU A 1 241 ? -23.736 -22.379 -8.938 1.00 26.94 ? 241 LEU A CD1 1 ATOM 1870 C CD2 . LEU A 1 241 ? -23.497 -21.674 -6.538 1.00 27.17 ? 241 LEU A CD2 1 ATOM 1871 N N . ASN A 1 242 ? -27.330 -24.056 -8.903 1.00 28.55 ? 242 ASN A N 1 ATOM 1872 C CA . ASN A 1 242 ? -27.935 -25.322 -8.495 1.00 30.22 ? 242 ASN A CA 1 ATOM 1873 C C . ASN A 1 242 ? -27.341 -25.782 -7.174 1.00 31.52 ? 242 ASN A C 1 ATOM 1874 O O . ASN A 1 242 ? -26.125 -25.754 -6.995 1.00 30.96 ? 242 ASN A O 1 ATOM 1875 C CB . ASN A 1 242 ? -27.709 -26.394 -9.560 1.00 31.14 ? 242 ASN A CB 1 ATOM 1876 C CG . ASN A 1 242 ? -28.673 -27.558 -9.429 1.00 31.77 ? 242 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 242 ? -28.613 -28.321 -8.464 1.00 33.37 ? 242 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 242 ? -29.568 -27.699 -10.399 1.00 31.93 ? 242 ASN A ND2 1 ATOM 1879 N N . THR A 1 243 ? -28.201 -26.205 -6.251 1.00 33.05 ? 243 THR A N 1 ATOM 1880 C CA . THR A 1 243 ? -27.754 -26.661 -4.935 1.00 34.75 ? 243 THR A CA 1 ATOM 1881 C C . THR A 1 243 ? -26.780 -27.847 -4.990 1.00 36.37 ? 243 THR A C 1 ATOM 1882 O O . THR A 1 243 ? -26.000 -28.046 -4.058 1.00 35.50 ? 243 THR A O 1 ATOM 1883 C CB . THR A 1 243 ? -28.948 -27.011 -4.023 1.00 36.04 ? 243 THR A CB 1 ATOM 1884 O OG1 . THR A 1 243 ? -28.473 -27.318 -2.708 1.00 37.96 ? 243 THR A OG1 1 ATOM 1885 C CG2 . THR A 1 243 ? -29.740 -28.194 -4.572 1.00 36.14 ? 243 THR A CG2 1 ATOM 1886 N N . LYS A 1 244 ? -26.820 -28.623 -6.072 1.00 38.65 ? 244 LYS A N 1 ATOM 1887 C CA . LYS A 1 244 ? -25.867 -29.722 -6.263 1.00 41.89 ? 244 LYS A CA 1 ATOM 1888 C C . LYS A 1 244 ? -24.422 -29.217 -6.397 1.00 42.87 ? 244 LYS A C 1 ATOM 1889 O O . LYS A 1 244 ? -23.471 -29.968 -6.164 1.00 43.17 ? 244 LYS A O 1 ATOM 1890 C CB . LYS A 1 244 ? -26.276 -30.587 -7.463 1.00 44.04 ? 244 LYS A CB 1 ATOM 1891 C CG . LYS A 1 244 ? -27.583 -31.334 -7.215 1.00 46.48 ? 244 LYS A CG 1 ATOM 1892 C CD . LYS A 1 244 ? -27.987 -32.267 -8.349 1.00 48.82 ? 244 LYS A CD 1 ATOM 1893 C CE . LYS A 1 244 ? -27.217 -33.579 -8.322 1.00 50.50 ? 244 LYS A CE 1 ATOM 1894 N NZ . LYS A 1 244 ? -27.569 -34.440 -9.486 1.00 51.68 ? 244 LYS A NZ 1 ATOM 1895 N N . ASN A 1 245 ? -24.272 -27.939 -6.748 1.00 42.33 ? 245 ASN A N 1 ATOM 1896 C CA . ASN A 1 245 ? -22.967 -27.284 -6.853 1.00 43.23 ? 245 ASN A CA 1 ATOM 1897 C C . ASN A 1 245 ? -22.602 -26.392 -5.657 1.00 43.67 ? 245 ASN A C 1 ATOM 1898 O O . ASN A 1 245 ? -21.652 -25.608 -5.732 1.00 44.78 ? 245 ASN A O 1 ATOM 1899 C CB . ASN A 1 245 ? -22.926 -26.469 -8.150 1.00 42.94 ? 245 ASN A CB 1 ATOM 1900 C CG . ASN A 1 245 ? -22.905 -27.351 -9.381 1.00 43.52 ? 245 ASN A CG 1 ATOM 1901 O OD1 . ASN A 1 245 ? -22.231 -28.380 -9.401 1.00 44.25 ? 245 ASN A OD1 1 ATOM 1902 N ND2 . ASN A 1 245 ? -23.636 -26.955 -10.416 1.00 43.23 ? 245 ASN A ND2 1 ATOM 1903 N N . ILE A 1 246 ? -23.341 -26.526 -4.556 1.00 43.81 ? 246 ILE A N 1 ATOM 1904 C CA . ILE A 1 246 ? -23.115 -25.720 -3.353 1.00 44.22 ? 246 ILE A CA 1 ATOM 1905 C C . ILE A 1 246 ? -22.708 -26.626 -2.190 1.00 45.54 ? 246 ILE A C 1 ATOM 1906 O O . ILE A 1 246 ? -21.755 -26.342 -1.463 1.00 47.13 ? 246 ILE A O 1 ATOM 1907 C CB . ILE A 1 246 ? -24.378 -24.910 -2.975 1.00 43.29 ? 246 ILE A CB 1 ATOM 1908 C CG1 . ILE A 1 246 ? -24.791 -23.999 -4.138 1.00 42.59 ? 246 ILE A CG1 1 ATOM 1909 C CG2 . ILE A 1 246 ? -24.134 -24.077 -1.721 1.00 43.33 ? 246 ILE A CG2 1 ATOM 1910 C CD1 . ILE A 1 246 ? -26.095 -23.251 -3.931 1.00 41.97 ? 246 ILE A CD1 1 ATOM 1911 O OXT . ILE A 1 246 ? -23.323 -27.665 -1.948 1.00 47.00 ? 246 ILE A OXT 1 HETATM 1912 C C1 . NAG B 2 . ? -41.372 -12.620 4.620 1.00 46.94 ? 301 NAG A C1 1 HETATM 1913 C C2 . NAG B 2 . ? -41.891 -12.259 6.014 1.00 51.20 ? 301 NAG A C2 1 HETATM 1914 C C3 . NAG B 2 . ? -42.419 -10.823 6.129 1.00 52.03 ? 301 NAG A C3 1 HETATM 1915 C C4 . NAG B 2 . ? -41.645 -9.818 5.280 1.00 52.21 ? 301 NAG A C4 1 HETATM 1916 C C5 . NAG B 2 . ? -41.415 -10.392 3.888 1.00 51.24 ? 301 NAG A C5 1 HETATM 1917 C C6 . NAG B 2 . ? -40.695 -9.413 2.962 1.00 51.78 ? 301 NAG A C6 1 HETATM 1918 C C7 . NAG B 2 . ? -42.708 -14.424 6.825 1.00 54.14 ? 301 NAG A C7 1 HETATM 1919 C C8 . NAG B 2 . ? -43.895 -15.294 7.120 1.00 54.55 ? 301 NAG A C8 1 HETATM 1920 N N2 . NAG B 2 . ? -42.951 -13.198 6.350 1.00 52.63 ? 301 NAG A N2 1 HETATM 1921 O O3 . NAG B 2 . ? -42.373 -10.413 7.478 1.00 52.92 ? 301 NAG A O3 1 HETATM 1922 O O4 . NAG B 2 . ? -42.377 -8.615 5.204 1.00 53.10 ? 301 NAG A O4 1 HETATM 1923 O O5 . NAG B 2 . ? -40.637 -11.561 4.040 1.00 49.61 ? 301 NAG A O5 1 HETATM 1924 O O6 . NAG B 2 . ? -39.484 -8.988 3.547 1.00 52.71 ? 301 NAG A O6 1 HETATM 1925 O O7 . NAG B 2 . ? -41.573 -14.860 7.026 1.00 55.18 ? 301 NAG A O7 1 HETATM 1926 C C1 . GOL C 3 . ? -18.098 3.628 -22.129 1.00 41.72 ? 302 GOL A C1 1 HETATM 1927 O O1 . GOL C 3 . ? -17.321 4.831 -22.176 1.00 42.51 ? 302 GOL A O1 1 HETATM 1928 C C2 . GOL C 3 . ? -18.667 3.332 -23.510 1.00 41.36 ? 302 GOL A C2 1 HETATM 1929 O O2 . GOL C 3 . ? -17.602 3.200 -24.461 1.00 40.39 ? 302 GOL A O2 1 HETATM 1930 C C3 . GOL C 3 . ? -19.606 4.471 -23.897 1.00 41.05 ? 302 GOL A C3 1 HETATM 1931 O O3 . GOL C 3 . ? -20.177 4.247 -25.189 1.00 39.85 ? 302 GOL A O3 1 HETATM 1932 C C1 . GOL D 3 . ? -38.992 -13.202 -12.073 1.00 50.25 ? 303 GOL A C1 1 HETATM 1933 O O1 . GOL D 3 . ? -39.408 -13.121 -10.705 1.00 50.31 ? 303 GOL A O1 1 HETATM 1934 C C2 . GOL D 3 . ? -37.493 -12.945 -12.174 1.00 50.19 ? 303 GOL A C2 1 HETATM 1935 O O2 . GOL D 3 . ? -37.193 -11.647 -11.647 1.00 49.38 ? 303 GOL A O2 1 HETATM 1936 C C3 . GOL D 3 . ? -37.060 -13.026 -13.634 1.00 50.81 ? 303 GOL A C3 1 HETATM 1937 O O3 . GOL D 3 . ? -37.611 -11.940 -14.394 1.00 52.07 ? 303 GOL A O3 1 HETATM 1938 N N . ARG E 4 . ? -13.151 -19.808 -12.051 1.00 46.44 ? 304 ARG A N 1 HETATM 1939 C CA . ARG E 4 . ? -13.359 -18.551 -11.341 1.00 46.19 ? 304 ARG A CA 1 HETATM 1940 C C . ARG E 4 . ? -13.858 -18.796 -9.921 1.00 48.05 ? 304 ARG A C 1 HETATM 1941 O O . ARG E 4 . ? -13.166 -19.579 -9.189 1.00 49.68 ? 304 ARG A O 1 HETATM 1942 C CB . ARG E 4 . ? -14.346 -17.664 -12.102 1.00 45.06 ? 304 ARG A CB 1 HETATM 1943 C CG . ARG E 4 . ? -14.546 -16.289 -11.485 1.00 44.79 ? 304 ARG A CG 1 HETATM 1944 C CD . ARG E 4 . ? -15.469 -15.432 -12.335 1.00 43.71 ? 304 ARG A CD 1 HETATM 1945 N NE . ARG E 4 . ? -16.761 -15.214 -11.692 1.00 44.30 ? 304 ARG A NE 1 HETATM 1946 C CZ . ARG E 4 . ? -17.872 -14.878 -12.340 1.00 42.69 ? 304 ARG A CZ 1 HETATM 1947 N NH1 . ARG E 4 . ? -19.003 -14.700 -11.672 1.00 43.00 ? 304 ARG A NH1 1 HETATM 1948 N NH2 . ARG E 4 . ? -17.851 -14.719 -13.656 1.00 42.22 ? 304 ARG A NH2 1 HETATM 1949 O OXT . ARG E 4 . ? -14.931 -18.197 -9.572 1.00 50.02 ? 304 ARG A OXT 1 HETATM 1950 O O . HOH F 5 . ? -5.570 -23.748 -15.171 1.00 28.86 ? 401 HOH A O 1 HETATM 1951 O O . HOH F 5 . ? -0.900 -3.518 -18.051 1.00 55.84 ? 402 HOH A O 1 HETATM 1952 O O . HOH F 5 . ? -3.852 -10.990 -20.440 1.00 32.67 ? 403 HOH A O 1 HETATM 1953 O O . HOH F 5 . ? -29.048 -5.989 -1.529 1.00 50.16 ? 404 HOH A O 1 HETATM 1954 O O . HOH F 5 . ? -8.642 -11.859 -29.573 1.00 37.73 ? 405 HOH A O 1 HETATM 1955 O O . HOH F 5 . ? -38.675 -6.950 0.270 1.00 42.41 ? 406 HOH A O 1 HETATM 1956 O O . HOH F 5 . ? -22.990 -1.602 -27.658 1.00 27.86 ? 407 HOH A O 1 HETATM 1957 O O . HOH F 5 . ? 1.481 -16.556 -15.484 1.00 26.31 ? 408 HOH A O 1 HETATM 1958 O O . HOH F 5 . ? -0.170 -22.781 -18.790 1.00 28.58 ? 409 HOH A O 1 HETATM 1959 O O . HOH F 5 . ? -4.814 -18.308 -6.103 1.00 38.35 ? 410 HOH A O 1 HETATM 1960 O O . HOH F 5 . ? -24.998 -11.153 -28.143 1.00 32.77 ? 411 HOH A O 1 HETATM 1961 O O . HOH F 5 . ? -23.077 -4.432 -28.330 1.00 29.18 ? 412 HOH A O 1 HETATM 1962 O O . HOH F 5 . ? -15.068 -3.184 -7.925 1.00 29.04 ? 413 HOH A O 1 HETATM 1963 O O . HOH F 5 . ? -10.977 -24.903 -28.776 1.00 39.22 ? 414 HOH A O 1 HETATM 1964 O O . HOH F 5 . ? -33.598 -14.264 -15.717 1.00 46.91 ? 415 HOH A O 1 HETATM 1965 O O . HOH F 5 . ? -41.303 -22.769 -7.732 1.00 43.00 ? 416 HOH A O 1 HETATM 1966 O O . HOH F 5 . ? -22.814 -0.537 -7.576 1.00 31.54 ? 417 HOH A O 1 HETATM 1967 O O . HOH F 5 . ? -5.033 -22.670 -25.318 1.00 27.58 ? 418 HOH A O 1 HETATM 1968 O O . HOH F 5 . ? -30.063 2.334 -13.903 1.00 46.10 ? 419 HOH A O 1 HETATM 1969 O O . HOH F 5 . ? 3.297 -11.924 -13.776 1.00 30.92 ? 420 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? -14.836 -26.418 -15.842 1.00 35.47 ? 421 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? 2.299 -7.788 -13.393 1.00 35.04 ? 422 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? -23.231 -16.897 -0.474 1.00 32.76 ? 423 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? -26.827 -24.039 -16.678 1.00 28.92 ? 424 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? -23.980 3.305 -6.194 1.00 43.70 ? 425 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? -41.203 -21.517 -10.797 1.00 36.79 ? 426 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? -25.527 -24.894 -11.218 1.00 29.60 ? 427 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? 0.139 -9.150 -8.240 1.00 33.25 ? 428 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? -11.518 0.560 -12.556 1.00 28.77 ? 429 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? -12.924 -22.043 -28.355 1.00 39.89 ? 430 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? -43.351 -25.720 0.165 1.00 36.45 ? 431 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? 3.013 -9.821 -15.526 1.00 28.84 ? 432 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? -22.771 -0.252 -29.978 1.00 36.31 ? 433 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? -2.366 -11.519 -25.589 1.00 32.21 ? 434 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? -20.612 -20.019 -26.799 1.00 33.79 ? 435 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? -0.006 -11.410 -10.145 1.00 34.48 ? 436 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? -6.804 -24.344 -24.477 1.00 34.04 ? 437 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? -16.589 -1.742 -29.573 1.00 28.57 ? 438 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? -8.120 -2.416 -16.241 1.00 43.02 ? 439 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? -3.514 -13.929 -5.016 1.00 33.44 ? 440 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? -10.331 1.467 -26.281 1.00 40.68 ? 441 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? -8.276 -7.541 -31.188 1.00 39.64 ? 442 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? -32.877 -10.355 -18.847 1.00 37.53 ? 443 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? -28.394 1.777 -4.479 1.00 51.50 ? 444 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? -35.301 -24.010 -21.626 1.00 64.59 ? 445 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? -40.179 -24.761 -14.406 1.00 39.38 ? 446 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? -4.807 -4.434 -10.625 1.00 36.63 ? 447 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? -39.339 -14.858 -7.683 1.00 35.94 ? 448 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? -21.430 7.299 -12.231 1.00 39.78 ? 449 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? -32.736 -26.404 -14.498 1.00 37.72 ? 450 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? -28.353 -15.357 -26.020 1.00 33.11 ? 451 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? -25.429 -7.995 -27.095 1.00 35.15 ? 452 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? -21.746 -16.128 -3.759 1.00 35.73 ? 453 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? -3.125 -8.650 -18.810 1.00 27.70 ? 454 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? -20.721 3.701 -4.595 1.00 40.92 ? 455 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? -37.718 -11.901 3.548 1.00 38.03 ? 456 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? -6.551 -17.751 -31.598 1.00 52.83 ? 457 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? -16.430 -29.491 -19.295 1.00 41.84 ? 458 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? -25.554 -5.176 -27.028 1.00 32.03 ? 459 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? -31.497 -29.637 -10.714 1.00 38.93 ? 460 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? -2.480 -22.847 -26.594 1.00 37.91 ? 461 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? -22.814 7.371 -16.367 1.00 31.39 ? 462 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? -27.450 -20.765 2.759 1.00 42.27 ? 463 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? -16.517 -8.547 0.427 1.00 44.78 ? 464 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? -25.464 0.236 -0.599 1.00 42.76 ? 465 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? -24.440 -18.750 -26.895 1.00 52.07 ? 466 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? -18.869 4.996 -27.358 1.00 37.31 ? 467 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? -13.296 -7.855 0.047 1.00 64.72 ? 468 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? -0.111 -13.424 -8.232 1.00 39.65 ? 469 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? -36.507 -27.560 2.571 1.00 40.75 ? 470 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? -8.436 0.563 -9.051 1.00 42.50 ? 471 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? 3.903 -21.219 -28.445 1.00 37.48 ? 472 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? -11.775 -25.118 -9.595 1.00 37.13 ? 473 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? -9.028 -10.491 -0.516 1.00 45.81 ? 474 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? -20.825 -8.425 1.998 1.00 57.80 ? 475 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? 2.693 -7.691 -22.126 1.00 46.78 ? 476 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? -8.562 -30.196 -13.703 1.00 49.26 ? 477 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? -5.993 -3.079 -13.916 1.00 37.81 ? 478 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? -13.822 -12.120 -30.134 1.00 45.49 ? 479 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? -16.394 -23.941 -12.386 1.00 50.44 ? 480 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? -5.423 -26.521 -11.256 1.00 42.89 ? 481 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? -32.022 -3.038 -23.030 1.00 40.19 ? 482 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? -33.501 -13.031 -19.700 1.00 51.66 ? 483 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? -15.897 5.876 -7.065 1.00 31.82 ? 484 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? 1.130 -10.279 -23.992 1.00 40.55 ? 485 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? -29.722 4.150 -23.514 1.00 39.91 ? 486 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? -2.753 -15.055 -2.586 1.00 55.97 ? 487 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? -25.984 -13.668 -29.179 1.00 45.45 ? 488 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? -0.997 -12.451 -5.530 1.00 46.82 ? 489 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? -3.923 -18.589 -32.481 1.00 41.00 ? 490 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? -32.391 -28.934 -13.261 1.00 49.38 ? 491 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? -43.174 -14.981 -4.255 1.00 58.03 ? 492 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? -6.117 -0.134 -19.965 1.00 39.80 ? 493 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? -23.298 3.725 -3.280 1.00 49.78 ? 494 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? -22.614 2.037 -0.849 1.00 42.42 ? 495 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? -21.271 -14.026 -6.988 1.00 40.58 ? 496 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? -37.204 -8.236 -12.602 1.00 50.79 ? 497 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? -22.315 -6.760 -29.979 1.00 46.19 ? 498 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? -1.326 -13.292 -28.345 1.00 41.85 ? 499 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? -36.286 -17.796 7.410 1.00 42.01 ? 500 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? 1.094 -3.921 -13.102 1.00 45.58 ? 501 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? -8.352 -2.141 -12.251 1.00 48.31 ? 502 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? -16.915 -4.512 -33.674 1.00 49.60 ? 503 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? -20.517 -21.837 -3.867 1.00 45.90 ? 504 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? -6.193 -6.214 -1.325 1.00 47.73 ? 505 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? -30.184 0.635 -8.945 1.00 60.65 ? 506 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? -44.557 -7.925 6.899 1.00 59.54 ? 507 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? -21.503 -13.613 -30.891 1.00 54.35 ? 508 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? -25.612 8.356 -13.449 1.00 55.53 ? 509 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? -8.775 -11.116 -32.458 1.00 52.06 ? 510 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? -47.633 -23.038 0.934 1.00 48.44 ? 511 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? -33.220 -6.182 -16.858 1.00 50.69 ? 512 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? -17.386 -23.975 -25.602 1.00 45.67 ? 513 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? -9.228 5.488 -28.764 1.00 35.92 ? 514 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? -32.311 -2.518 -19.674 1.00 58.12 ? 515 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? -42.551 -27.574 -4.169 1.00 53.28 ? 516 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? -33.554 -6.390 -4.178 1.00 40.06 ? 517 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? -31.170 -18.429 -18.030 1.00 50.37 ? 518 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? -2.638 -3.645 -22.897 1.00 46.75 ? 519 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? -43.660 -24.091 7.111 1.00 42.29 ? 520 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? -36.142 -12.009 -9.290 1.00 28.94 ? 521 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? -9.640 -10.925 2.314 1.00 59.33 ? 522 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? -28.125 -27.640 4.043 1.00 55.93 ? 523 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? -26.944 -17.407 -27.308 1.00 49.63 ? 524 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? -24.485 -13.339 2.754 1.00 48.58 ? 525 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? -11.655 -21.006 -6.270 1.00 59.31 ? 526 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? -20.791 -29.238 -12.219 1.00 49.14 ? 527 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? -6.952 -0.844 -27.993 1.00 45.48 ? 528 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? -35.639 -27.884 -8.190 1.00 55.91 ? 529 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? -14.179 -22.973 -9.729 1.00 58.05 ? 530 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? -38.889 -15.981 -15.544 1.00 50.87 ? 531 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? -28.096 8.502 -24.690 1.00 59.34 ? 532 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? -31.798 -19.909 -21.541 1.00 46.20 ? 533 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? -12.553 -1.012 1.424 1.00 54.10 ? 534 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? -26.113 -13.805 4.995 1.00 52.27 ? 535 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? -5.344 -6.950 -30.217 1.00 50.51 ? 536 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? -21.583 -33.735 -16.647 1.00 56.25 ? 537 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? -26.394 -27.654 -1.124 1.00 50.62 ? 538 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? -32.600 -27.919 -6.513 1.00 42.14 ? 539 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? -23.530 6.509 -10.377 1.00 53.00 ? 540 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? -29.815 -22.825 9.927 1.00 50.75 ? 541 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? -16.890 -31.668 -26.106 1.00 55.89 ? 542 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? -23.282 -17.343 -31.504 1.00 56.44 ? 543 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? -32.094 -3.248 -16.742 1.00 61.00 ? 544 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? -2.484 -23.063 -33.833 1.00 64.65 ? 545 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? -38.170 -23.046 8.364 1.00 53.74 ? 546 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? -20.992 -30.894 -8.376 1.00 63.04 ? 547 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? -25.108 -21.000 -25.083 1.00 51.03 ? 548 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? -20.464 11.581 -8.581 1.00 51.10 ? 549 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? -2.491 -16.445 -6.057 1.00 44.82 ? 550 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? -17.471 0.086 -2.268 1.00 48.98 ? 551 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? -23.866 -11.872 -30.692 1.00 55.99 ? 552 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? -14.478 2.650 -1.237 1.00 52.64 ? 553 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? -4.514 -21.451 -7.008 1.00 57.95 ? 554 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? -35.358 -7.369 -0.445 1.00 51.91 ? 555 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? -44.668 -12.697 -4.762 1.00 56.11 ? 556 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? -7.917 -7.955 0.083 1.00 53.18 ? 557 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? -31.432 -6.901 -19.525 1.00 32.59 ? 558 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? -20.539 -18.209 -6.234 1.00 47.64 ? 559 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? -44.692 -10.320 8.725 1.00 66.78 ? 560 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? -31.694 0.906 -15.556 1.00 50.73 ? 561 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? -11.068 -13.218 -29.461 1.00 51.28 ? 562 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? -4.365 -23.487 -17.707 1.00 43.46 ? 563 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? -4.030 -24.716 -13.069 1.00 34.91 ? 564 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? -3.164 -2.082 -17.746 1.00 39.22 ? 565 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? -17.166 8.204 -9.232 1.00 37.58 ? 566 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? -23.044 10.211 -16.218 1.00 44.97 ? 567 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? -21.049 12.157 -15.144 1.00 42.89 ? 568 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? -7.745 -32.887 -28.899 1.00 40.98 ? 569 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? -41.115 -24.761 8.356 1.00 51.73 ? 570 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? -24.666 -8.647 -30.260 1.00 41.37 ? 571 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? -36.341 -14.974 -16.320 1.00 52.26 ? 572 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? -33.928 -5.117 -8.532 1.00 57.34 ? 573 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? -33.564 -2.148 -8.182 1.00 59.67 ? 574 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? -24.680 -21.220 1.895 1.00 49.79 ? 575 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? -10.687 -1.140 -15.437 1.00 41.91 ? 576 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? -24.840 -16.226 2.027 1.00 45.03 ? 577 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? 6.963 -19.468 -32.421 1.00 55.53 ? 578 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? -16.578 -2.048 -32.339 1.00 43.13 ? 579 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? -14.776 -0.225 -33.425 1.00 56.28 ? 580 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? -20.760 -23.998 -2.021 1.00 61.04 ? 581 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? -3.711 -26.171 -18.072 1.00 52.46 ? 582 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? -8.220 -31.284 -24.442 1.00 45.91 ? 583 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? -8.512 -20.314 -4.710 1.00 48.71 ? 584 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? -1.537 -8.002 -1.653 1.00 54.05 ? 585 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? -17.384 -4.551 2.471 1.00 60.73 ? 586 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? -29.929 -23.699 5.388 1.00 44.24 ? 587 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? -19.210 -10.936 -32.392 1.00 59.62 ? 588 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? -31.615 -12.499 -25.872 1.00 42.34 ? 589 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? -26.633 -3.654 -29.015 1.00 43.40 ? 590 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? -2.347 -19.488 -7.731 1.00 48.29 ? 591 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? -37.678 -29.400 -5.183 1.00 59.01 ? 592 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? -40.856 -15.395 -5.307 1.00 44.03 ? 593 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? -22.172 -4.794 -34.101 1.00 60.89 ? 594 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? -26.302 6.477 -17.450 1.00 63.42 ? 595 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? -32.346 -2.369 -2.078 1.00 52.42 ? 596 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? -30.619 -4.401 -3.336 1.00 65.29 ? 597 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? -36.058 -15.635 -23.018 1.00 63.41 ? 598 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? -29.936 -21.670 -23.966 1.00 56.19 ? 599 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? -32.363 -22.967 -21.779 1.00 56.55 ? 600 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? -32.229 -6.060 -0.842 1.00 55.49 ? 601 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? -28.769 0.769 -27.914 1.00 53.73 ? 602 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? -1.780 -4.699 -20.400 1.00 44.69 ? 603 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? -43.513 -6.463 4.208 1.00 48.84 ? 604 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? -41.350 -5.815 6.145 1.00 62.67 ? 605 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? -15.285 -15.576 -5.289 1.00 42.72 ? 606 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? -22.259 -25.814 1.366 1.00 58.69 ? 607 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? -31.741 -31.304 -17.578 1.00 50.90 ? 608 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? -32.831 -0.230 -6.003 1.00 57.10 ? 609 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? -10.961 -32.924 -25.738 1.00 57.87 ? 610 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? -0.281 -6.101 -6.234 1.00 43.89 ? 611 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? -10.196 -7.055 -33.672 1.00 51.52 ? 612 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? 1.188 -1.787 -15.423 1.00 59.25 ? 613 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? -19.654 -24.794 -9.043 1.00 57.38 ? 614 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? -27.707 6.891 -26.164 1.00 55.89 ? 615 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? -27.573 -17.976 5.736 1.00 58.78 ? 616 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? -36.286 -20.679 9.513 1.00 57.33 ? 617 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? -4.941 -0.838 -1.190 1.00 56.83 ? 618 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? -14.013 -4.948 -34.405 1.00 46.71 ? 619 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? -25.344 3.258 -1.053 1.00 63.10 ? 620 HOH A O 1 HETATM 2170 O O . HOH F 5 . ? -16.907 -19.131 -31.785 1.00 62.38 ? 621 HOH A O 1 HETATM 2171 O O . HOH F 5 . ? -11.300 4.176 -4.828 1.00 54.45 ? 622 HOH A O 1 HETATM 2172 O O . HOH F 5 . ? -20.437 -26.372 -11.628 1.00 53.84 ? 623 HOH A O 1 HETATM 2173 O O . HOH F 5 . ? -24.793 2.933 6.982 1.00 57.09 ? 624 HOH A O 1 HETATM 2174 O O . HOH F 5 . ? -7.636 -31.619 -16.049 1.00 55.18 ? 625 HOH A O 1 HETATM 2175 O O . HOH F 5 . ? -15.039 -24.119 -27.823 1.00 58.81 ? 626 HOH A O 1 HETATM 2176 O O . HOH F 5 . ? -3.660 -9.024 -28.119 1.00 45.37 ? 627 HOH A O 1 HETATM 2177 O O . HOH F 5 . ? -19.069 -0.933 -33.503 1.00 60.75 ? 628 HOH A O 1 HETATM 2178 O O . HOH F 5 . ? -16.155 2.299 -33.692 1.00 61.41 ? 629 HOH A O 1 HETATM 2179 O O . HOH F 5 . ? -17.531 -13.697 -2.456 1.00 40.59 ? 630 HOH A O 1 HETATM 2180 O O . HOH F 5 . ? -18.387 -15.036 -9.166 1.00 41.14 ? 631 HOH A O 1 HETATM 2181 O O . HOH F 5 . ? -15.790 -15.217 -8.529 1.00 42.95 ? 632 HOH A O 1 HETATM 2182 O O . HOH F 5 . ? -18.168 -14.666 -5.014 1.00 39.18 ? 633 HOH A O 1 HETATM 2183 O O . HOH F 5 . ? -15.978 -18.917 -5.274 1.00 42.83 ? 634 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 # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 227 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 227 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # _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 2013-08-07 # _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.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.7.0032 ? 3 DENZO 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 85 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OE2 _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 85 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.182 _pdbx_validate_rmsd_bond.bond_target_value 1.252 _pdbx_validate_rmsd_bond.bond_deviation -0.070 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011 _pdbx_validate_rmsd_bond.linker_flag N # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 ASP _pdbx_validate_rmsd_angle.auth_seq_id_1 143 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CG _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 ASP _pdbx_validate_rmsd_angle.auth_seq_id_2 143 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 OD1 _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 ASP _pdbx_validate_rmsd_angle.auth_seq_id_3 143 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 124.97 _pdbx_validate_rmsd_angle.angle_target_value 118.30 _pdbx_validate_rmsd_angle.angle_deviation 6.67 _pdbx_validate_rmsd_angle.angle_standard_deviation 0.90 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 77 ? ? 54.94 -107.13 2 1 PRO A 106 ? ? -86.08 39.42 3 1 ASP A 143 ? ? -163.52 104.51 4 1 THR A 158 ? ? -119.90 -76.99 5 1 ASN A 236 ? ? -98.29 -66.17 # 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 ARGININE ARG 5 water HOH # 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 ARG 1 304 1 ARG ARG A . F 5 HOH 1 401 1 HOH HOH A . F 5 HOH 2 402 2 HOH HOH A . F 5 HOH 3 403 3 HOH HOH A . F 5 HOH 4 404 4 HOH HOH A . F 5 HOH 5 405 5 HOH HOH A . F 5 HOH 6 406 6 HOH HOH A . F 5 HOH 7 407 7 HOH HOH A . F 5 HOH 8 408 8 HOH HOH A . F 5 HOH 9 409 9 HOH HOH A . F 5 HOH 10 410 10 HOH HOH A . F 5 HOH 11 411 11 HOH HOH A . F 5 HOH 12 412 12 HOH HOH A . F 5 HOH 13 413 13 HOH HOH A . F 5 HOH 14 414 15 HOH HOH A . F 5 HOH 15 415 16 HOH HOH A . F 5 HOH 16 416 17 HOH HOH A . F 5 HOH 17 417 18 HOH HOH A . F 5 HOH 18 418 19 HOH HOH A . F 5 HOH 19 419 20 HOH HOH A . F 5 HOH 20 420 21 HOH HOH A . F 5 HOH 21 421 22 HOH HOH A . F 5 HOH 22 422 23 HOH HOH A . F 5 HOH 23 423 24 HOH HOH A . F 5 HOH 24 424 25 HOH HOH A . F 5 HOH 25 425 26 HOH HOH A . F 5 HOH 26 426 27 HOH HOH A . F 5 HOH 27 427 28 HOH HOH A . F 5 HOH 28 428 29 HOH HOH A . F 5 HOH 29 429 30 HOH HOH A . F 5 HOH 30 430 31 HOH HOH A . F 5 HOH 31 431 32 HOH HOH A . F 5 HOH 32 432 33 HOH HOH A . F 5 HOH 33 433 34 HOH HOH A . F 5 HOH 34 434 35 HOH HOH A . F 5 HOH 35 435 36 HOH HOH A . F 5 HOH 36 436 37 HOH HOH A . F 5 HOH 37 437 38 HOH HOH A . F 5 HOH 38 438 39 HOH HOH A . F 5 HOH 39 439 40 HOH HOH A . F 5 HOH 40 440 41 HOH HOH A . F 5 HOH 41 441 42 HOH HOH A . F 5 HOH 42 442 43 HOH HOH A . F 5 HOH 43 443 44 HOH HOH A . F 5 HOH 44 444 45 HOH HOH A . F 5 HOH 45 445 46 HOH HOH A . F 5 HOH 46 446 47 HOH HOH A . F 5 HOH 47 447 48 HOH HOH A . F 5 HOH 48 448 49 HOH HOH A . F 5 HOH 49 449 50 HOH HOH A . F 5 HOH 50 450 51 HOH HOH A . F 5 HOH 51 451 52 HOH HOH A . F 5 HOH 52 452 53 HOH HOH A . F 5 HOH 53 453 54 HOH HOH A . F 5 HOH 54 454 55 HOH HOH A . F 5 HOH 55 455 56 HOH HOH A . F 5 HOH 56 456 57 HOH HOH A . F 5 HOH 57 457 58 HOH HOH A . F 5 HOH 58 458 59 HOH HOH A . F 5 HOH 59 459 60 HOH HOH A . F 5 HOH 60 460 61 HOH HOH A . F 5 HOH 61 461 62 HOH HOH A . F 5 HOH 62 462 63 HOH HOH A . F 5 HOH 63 463 64 HOH HOH A . F 5 HOH 64 464 65 HOH HOH A . F 5 HOH 65 465 66 HOH HOH A . F 5 HOH 66 466 67 HOH HOH A . F 5 HOH 67 467 68 HOH HOH A . F 5 HOH 68 468 69 HOH HOH A . F 5 HOH 69 469 70 HOH HOH A . F 5 HOH 70 470 71 HOH HOH A . F 5 HOH 71 471 72 HOH HOH A . F 5 HOH 72 472 73 HOH HOH A . F 5 HOH 73 473 74 HOH HOH A . F 5 HOH 74 474 75 HOH HOH A . F 5 HOH 75 475 76 HOH HOH A . F 5 HOH 76 476 77 HOH HOH A . F 5 HOH 77 477 78 HOH HOH A . F 5 HOH 78 478 79 HOH HOH A . F 5 HOH 79 479 80 HOH HOH A . F 5 HOH 80 480 81 HOH HOH A . F 5 HOH 81 481 82 HOH HOH A . F 5 HOH 82 482 83 HOH HOH A . F 5 HOH 83 483 84 HOH HOH A . F 5 HOH 84 484 85 HOH HOH A . F 5 HOH 85 485 87 HOH HOH A . F 5 HOH 86 486 89 HOH HOH A . F 5 HOH 87 487 90 HOH HOH A . F 5 HOH 88 488 91 HOH HOH A . F 5 HOH 89 489 92 HOH HOH A . F 5 HOH 90 490 93 HOH HOH A . F 5 HOH 91 491 94 HOH HOH A . F 5 HOH 92 492 95 HOH HOH A . F 5 HOH 93 493 96 HOH HOH A . F 5 HOH 94 494 97 HOH HOH A . F 5 HOH 95 495 98 HOH HOH A . F 5 HOH 96 496 99 HOH HOH A . F 5 HOH 97 497 100 HOH HOH A . F 5 HOH 98 498 101 HOH HOH A . F 5 HOH 99 499 102 HOH HOH A . F 5 HOH 100 500 103 HOH HOH A . F 5 HOH 101 501 104 HOH HOH A . F 5 HOH 102 502 105 HOH HOH A . F 5 HOH 103 503 106 HOH HOH A . F 5 HOH 104 504 107 HOH HOH A . F 5 HOH 105 505 108 HOH HOH A . F 5 HOH 106 506 109 HOH HOH A . F 5 HOH 107 507 110 HOH HOH A . F 5 HOH 108 508 111 HOH HOH A . F 5 HOH 109 509 112 HOH HOH A . F 5 HOH 110 510 113 HOH HOH A . F 5 HOH 111 511 114 HOH HOH A . F 5 HOH 112 512 115 HOH HOH A . F 5 HOH 113 513 116 HOH HOH A . F 5 HOH 114 514 117 HOH HOH A . F 5 HOH 115 515 119 HOH HOH A . F 5 HOH 116 516 120 HOH HOH A . F 5 HOH 117 517 121 HOH HOH A . F 5 HOH 118 518 122 HOH HOH A . F 5 HOH 119 519 123 HOH HOH A . F 5 HOH 120 520 124 HOH HOH A . F 5 HOH 121 521 125 HOH HOH A . F 5 HOH 122 522 126 HOH HOH A . F 5 HOH 123 523 127 HOH HOH A . F 5 HOH 124 524 128 HOH HOH A . F 5 HOH 125 525 129 HOH HOH A . F 5 HOH 126 526 130 HOH HOH A . F 5 HOH 127 527 131 HOH HOH A . F 5 HOH 128 528 132 HOH HOH A . F 5 HOH 129 529 133 HOH HOH A . F 5 HOH 130 530 134 HOH HOH A . F 5 HOH 131 531 135 HOH HOH A . F 5 HOH 132 532 137 HOH HOH A . F 5 HOH 133 533 138 HOH HOH A . F 5 HOH 134 534 139 HOH HOH A . F 5 HOH 135 535 140 HOH HOH A . F 5 HOH 136 536 141 HOH HOH A . F 5 HOH 137 537 142 HOH HOH A . F 5 HOH 138 538 143 HOH HOH A . F 5 HOH 139 539 144 HOH HOH A . F 5 HOH 140 540 145 HOH HOH A . F 5 HOH 141 541 147 HOH HOH A . F 5 HOH 142 542 148 HOH HOH A . F 5 HOH 143 543 149 HOH HOH A . F 5 HOH 144 544 150 HOH HOH A . F 5 HOH 145 545 151 HOH HOH A . F 5 HOH 146 546 152 HOH HOH A . F 5 HOH 147 547 154 HOH HOH A . F 5 HOH 148 548 157 HOH HOH A . F 5 HOH 149 549 158 HOH HOH A . F 5 HOH 150 550 159 HOH HOH A . F 5 HOH 151 551 160 HOH HOH A . F 5 HOH 152 552 162 HOH HOH A . F 5 HOH 153 553 163 HOH HOH A . F 5 HOH 154 554 164 HOH HOH A . F 5 HOH 155 555 166 HOH HOH A . F 5 HOH 156 556 167 HOH HOH A . F 5 HOH 157 557 168 HOH HOH A . F 5 HOH 158 558 169 HOH HOH A . F 5 HOH 159 559 170 HOH HOH A . F 5 HOH 160 560 171 HOH HOH A . F 5 HOH 161 561 173 HOH HOH A . F 5 HOH 162 562 174 HOH HOH A . F 5 HOH 163 563 175 HOH HOH A . F 5 HOH 164 564 176 HOH HOH A . F 5 HOH 165 565 177 HOH HOH A . F 5 HOH 166 566 178 HOH HOH A . F 5 HOH 167 567 179 HOH HOH A . F 5 HOH 168 568 180 HOH HOH A . F 5 HOH 169 569 181 HOH HOH A . F 5 HOH 170 570 183 HOH HOH A . F 5 HOH 171 571 184 HOH HOH A . F 5 HOH 172 572 185 HOH HOH A . F 5 HOH 173 573 186 HOH HOH A . F 5 HOH 174 574 187 HOH HOH A . F 5 HOH 175 575 189 HOH HOH A . F 5 HOH 176 576 190 HOH HOH A . F 5 HOH 177 577 192 HOH HOH A . F 5 HOH 178 578 194 HOH HOH A . F 5 HOH 179 579 195 HOH HOH A . F 5 HOH 180 580 196 HOH HOH A . F 5 HOH 181 581 197 HOH HOH A . F 5 HOH 182 582 198 HOH HOH A . F 5 HOH 183 583 199 HOH HOH A . F 5 HOH 184 584 200 HOH HOH A . F 5 HOH 185 585 202 HOH HOH A . F 5 HOH 186 586 203 HOH HOH A . F 5 HOH 187 587 204 HOH HOH A . F 5 HOH 188 588 205 HOH HOH A . F 5 HOH 189 589 206 HOH HOH A . F 5 HOH 190 590 207 HOH HOH A . F 5 HOH 191 591 208 HOH HOH A . F 5 HOH 192 592 209 HOH HOH A . F 5 HOH 193 593 210 HOH HOH A . F 5 HOH 194 594 212 HOH HOH A . F 5 HOH 195 595 213 HOH HOH A . F 5 HOH 196 596 214 HOH HOH A . F 5 HOH 197 597 215 HOH HOH A . F 5 HOH 198 598 216 HOH HOH A . F 5 HOH 199 599 218 HOH HOH A . F 5 HOH 200 600 219 HOH HOH A . F 5 HOH 201 601 220 HOH HOH A . F 5 HOH 202 602 221 HOH HOH A . F 5 HOH 203 603 223 HOH HOH A . F 5 HOH 204 604 224 HOH HOH A . F 5 HOH 205 605 225 HOH HOH A . F 5 HOH 206 606 226 HOH HOH A . F 5 HOH 207 607 227 HOH HOH A . F 5 HOH 208 608 228 HOH HOH A . F 5 HOH 209 609 229 HOH HOH A . F 5 HOH 210 610 230 HOH HOH A . F 5 HOH 211 611 231 HOH HOH A . F 5 HOH 212 612 233 HOH HOH A . F 5 HOH 213 613 234 HOH HOH A . F 5 HOH 214 614 235 HOH HOH A . F 5 HOH 215 615 236 HOH HOH A . F 5 HOH 216 616 237 HOH HOH A . F 5 HOH 217 617 238 HOH HOH A . F 5 HOH 218 618 239 HOH HOH A . F 5 HOH 219 619 240 HOH HOH A . F 5 HOH 220 620 241 HOH HOH A . F 5 HOH 221 621 242 HOH HOH A . F 5 HOH 222 622 243 HOH HOH A . F 5 HOH 223 623 244 HOH HOH A . F 5 HOH 224 624 245 HOH HOH A . F 5 HOH 225 625 246 HOH HOH A . F 5 HOH 226 626 247 HOH HOH A . F 5 HOH 227 627 248 HOH HOH A . F 5 HOH 228 628 249 HOH HOH A . F 5 HOH 229 629 250 HOH HOH A . F 5 HOH 230 630 251 HOH HOH A . F 5 HOH 231 631 252 HOH HOH A . F 5 HOH 232 632 253 HOH HOH A . F 5 HOH 233 633 254 HOH HOH A . F 5 HOH 234 634 255 HOH HOH A . #