data_4LRO # _entry.id 4LRO # _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 4LRO RCSB RCSB081000 WWPDB D_1000081000 # _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 4LRO _pdbx_database_status.recvd_initial_deposition_date 2013-07-20 _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 'Sinha, M.' 3 'Bhushan, A.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina' _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 'Sinha, M.' 3 primary 'Bhushan, A.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 4LRO _cell.length_a 130.152 _cell.length_b 130.152 _cell.length_c 40.059 _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 4LRO _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 SPERMIDINE 145.246 1 ? ? ? ? 5 water nat water 18.015 222 ? ? ? ? # _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 4LRO _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 SPD non-polymer . SPERMIDINE 'N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE; PA(34)' 'C7 H19 N3' 145.246 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 4LRO _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 48.96 _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 6.7 _exptl_crystal_grow.pdbx_details '14% PEG 6000, 0.1M Sodium Phosphate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.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 4LRO _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 1.98 _reflns.number_obs 16729 _reflns.number_all 16729 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.046 _reflns.pdbx_netI_over_sigmaI 43.3 _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 1.98 _reflns_shell.d_res_low 2.01 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.213 _reflns_shell.meanI_over_sigI_obs 5.8 _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 4LRO _refine.ls_number_reflns_obs 16729 _refine.ls_number_reflns_all 16729 _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 37.77 _refine.ls_d_res_high 1.98 _refine.ls_percent_reflns_obs 99.98 _refine.ls_R_factor_obs 0.17011 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16866 _refine.ls_R_factor_R_free 0.19744 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 892 _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 0.953 _refine.B_iso_mean 31.730 _refine.aniso_B[1][1] -0.97 _refine.aniso_B[2][2] -0.97 _refine.aniso_B[3][3] 3.15 _refine.aniso_B[1][2] -0.97 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] -0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3S9Q _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.176 _refine.pdbx_overall_ESU_R_Free 0.143 _refine.overall_SU_ML 0.102 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.650 _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 36 _refine_hist.number_atoms_solvent 222 _refine_hist.number_atoms_total 2169 _refine_hist.d_res_high 1.98 _refine_hist.d_res_low 37.77 # 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 0.006 0.019 ? 1981 ? 'X-RAY DIFFRACTION' r_bond_other_d 0.001 0.020 ? 1924 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.154 1.982 ? 2691 ? 'X-RAY DIFFRACTION' r_angle_other_deg 0.745 3.000 ? 4401 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 5.201 5.000 ? 245 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 35.959 23.929 ? 84 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 13.662 15.000 ? 322 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 19.159 15.000 ? 13 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.062 0.200 ? 319 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.004 0.021 ? 2236 ? 'X-RAY DIFFRACTION' r_gen_planes_other 0.001 0.020 ? 455 ? 'X-RAY DIFFRACTION' r_mcbond_it 1.181 2.984 ? 983 ? 'X-RAY DIFFRACTION' r_mcbond_other 1.180 2.982 ? 982 ? 'X-RAY DIFFRACTION' r_mcangle_it 2.028 4.468 ? 1227 ? 'X-RAY DIFFRACTION' r_mcangle_other 2.028 4.470 ? 1228 ? 'X-RAY DIFFRACTION' r_scbond_it 1.423 3.250 ? 998 ? 'X-RAY DIFFRACTION' r_scbond_other 1.423 3.251 ? 999 ? 'X-RAY DIFFRACTION' r_scangle_other 2.455 4.776 ? 1465 ? 'X-RAY DIFFRACTION' r_long_range_B_refined 5.244 25.269 ? 2397 ? 'X-RAY DIFFRACTION' r_long_range_B_other 5.244 25.275 ? 2398 ? '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 1.980 _refine_ls_shell.d_res_low 2.031 _refine_ls_shell.number_reflns_R_work 1224 _refine_ls_shell.R_factor_R_work 0.222 _refine_ls_shell.percent_reflns_obs 99.92 _refine_ls_shell.R_factor_R_free 0.298 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 76 _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 4LRO _struct.title 'Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina' _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 4LRO _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Ribosome inactivating protein, Complex hydrolase, Ligand binding, Hydrolase, Spermidine' # 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 ? ALA A 24 ? ASP A 10 ALA A 24 1 ? 15 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 1.452 _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 ALA A 63 ? N ALA A 63 O MET A 72 ? O MET A 72 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 GLU A 29 ? N GLU A 29 O LEU A 36 ? O LEU A 36 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 ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL A 302' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 303' AC3 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE SPD A 304' AC4 Software ? ? ? ? 6 '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 7 LEU A 6 ? LEU A 6 . ? 1_555 ? 2 AC1 7 ALA A 9 ? ALA A 9 . ? 1_555 ? 3 AC1 7 ARG A 101 ? ARG A 101 . ? 3_555 ? 4 AC1 7 ILE A 103 ? ILE A 103 . ? 3_555 ? 5 AC1 7 PRO A 130 ? PRO A 130 . ? 1_555 ? 6 AC1 7 ALA A 175 ? ALA A 175 . ? 1_555 ? 7 AC1 7 HOH F . ? HOH A 467 . ? 1_555 ? 8 AC2 6 VAL A 233 ? VAL A 233 . ? 1_555 ? 9 AC2 6 THR A 234 ? THR A 234 . ? 1_555 ? 10 AC2 6 SER A 235 ? SER A 235 . ? 1_555 ? 11 AC2 6 ASN A 236 ? ASN A 236 . ? 1_555 ? 12 AC2 6 ILE A 237 ? ILE A 237 . ? 1_555 ? 13 AC2 6 GLN A 238 ? GLN A 238 . ? 1_555 ? 14 AC3 12 VAL A 69 ? VAL A 69 . ? 1_555 ? 15 AC3 12 TYR A 70 ? TYR A 70 . ? 1_555 ? 16 AC3 12 ILE A 71 ? ILE A 71 . ? 1_555 ? 17 AC3 12 GLY A 109 ? GLY A 109 . ? 1_555 ? 18 AC3 12 ASN A 110 ? ASN A 110 . ? 1_555 ? 19 AC3 12 TYR A 111 ? TYR A 111 . ? 1_555 ? 20 AC3 12 ILE A 155 ? ILE A 155 . ? 1_555 ? 21 AC3 12 ALA A 159 ? ALA A 159 . ? 1_555 ? 22 AC3 12 ARG A 163 ? ARG A 163 . ? 1_555 ? 23 AC3 12 HOH F . ? HOH A 532 . ? 1_555 ? 24 AC3 12 HOH F . ? HOH A 587 . ? 1_555 ? 25 AC3 12 HOH F . ? HOH A 617 . ? 1_555 ? 26 AC4 6 ASN A 227 ? ASN A 227 . ? 1_555 ? 27 AC4 6 THR A 229 ? THR A 229 . ? 1_555 ? 28 AC4 6 HOH F . ? HOH A 456 . ? 1_555 ? 29 AC4 6 HOH F . ? HOH A 504 . ? 1_555 ? 30 AC4 6 HOH F . ? HOH A 539 . ? 1_555 ? 31 AC4 6 HOH F . ? HOH A 586 . ? 1_555 ? # _database_PDB_matrix.entry_id 4LRO _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 4LRO _atom_sites.fract_transf_matrix[1][1] 0.007683 _atom_sites.fract_transf_matrix[1][2] 0.004436 _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] 0.008872 _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] 0.024963 _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 ? -22.692 -18.011 -28.925 1.00 40.48 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -21.819 -16.925 -28.388 1.00 39.73 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -22.657 -15.687 -28.134 1.00 37.41 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -23.730 -15.528 -28.711 1.00 38.28 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -20.689 -16.582 -29.369 1.00 40.91 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -19.833 -17.792 -29.736 1.00 42.06 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -20.124 -18.908 -29.260 1.00 42.10 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -18.866 -17.624 -30.508 1.00 42.56 ? 1 ASP A OD2 1 ATOM 9 N N . VAL A 1 2 ? -22.164 -14.824 -27.258 1.00 34.21 ? 2 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -22.757 -13.516 -27.048 1.00 31.85 ? 2 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -21.670 -12.475 -27.277 1.00 30.12 ? 2 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -20.479 -12.783 -27.188 1.00 28.99 ? 2 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -23.386 -13.387 -25.645 1.00 32.15 ? 2 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -24.541 -14.369 -25.504 1.00 32.50 ? 2 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -22.355 -13.610 -24.547 1.00 32.46 ? 2 VAL A CG2 1 ATOM 16 N N . SER A 1 3 ? -22.093 -11.256 -27.588 1.00 29.02 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.186 -10.178 -27.949 1.00 28.90 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -21.582 -8.861 -27.285 1.00 28.19 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -22.765 -8.617 -27.026 1.00 27.75 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -21.170 -10.006 -29.472 1.00 29.90 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -20.454 -11.064 -30.087 1.00 31.04 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -20.583 -8.023 -27.008 1.00 26.76 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.803 -6.649 -26.553 1.00 26.04 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.698 -5.741 -27.082 1.00 26.59 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -18.513 -6.080 -27.008 1.00 25.21 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -20.849 -6.571 -25.028 1.00 25.72 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -21.141 -5.190 -24.486 1.00 25.42 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.257 -4.473 -24.915 1.00 25.10 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -20.315 -4.618 -23.524 1.00 25.42 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -22.528 -3.215 -24.409 1.00 25.29 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -20.585 -3.357 -23.012 1.00 25.22 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -21.694 -2.654 -23.455 1.00 25.61 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -20.104 -4.587 -27.601 1.00 27.04 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -19.192 -3.614 -28.182 1.00 28.27 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -19.245 -2.333 -27.364 1.00 26.67 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -20.312 -1.760 -27.181 1.00 25.17 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -19.591 -3.349 -29.635 1.00 31.44 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -19.288 -4.531 -30.543 1.00 34.44 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -19.899 -4.412 -31.928 1.00 38.05 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -19.303 -5.398 -32.835 1.00 41.64 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -19.686 -6.672 -32.964 1.00 43.89 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -20.700 -7.169 -32.257 1.00 44.77 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -19.047 -7.460 -33.823 1.00 44.83 ? 5 ARG A NH2 1 ATOM 44 N N . LEU A 1 6 ? -18.101 -1.896 -26.851 1.00 25.39 ? 6 LEU A N 1 ATOM 45 C CA . LEU A 1 6 ? -18.049 -0.665 -26.070 1.00 25.54 ? 6 LEU A CA 1 ATOM 46 C C . LEU A 1 6 ? -18.171 0.576 -26.956 1.00 26.43 ? 6 LEU A C 1 ATOM 47 O O . LEU A 1 6 ? -18.623 1.623 -26.489 1.00 26.61 ? 6 LEU A O 1 ATOM 48 C CB . LEU A 1 6 ? -16.776 -0.596 -25.213 1.00 25.02 ? 6 LEU A CB 1 ATOM 49 C CG . LEU A 1 6 ? -16.833 -1.282 -23.838 1.00 24.88 ? 6 LEU A CG 1 ATOM 50 C CD1 . LEU A 1 6 ? -17.757 -0.534 -22.885 1.00 24.65 ? 6 LEU A CD1 1 ATOM 51 C CD2 . LEU A 1 6 ? -17.239 -2.746 -23.933 1.00 24.93 ? 6 LEU A CD2 1 ATOM 52 N N . SER A 1 7 ? -17.775 0.459 -28.223 1.00 27.81 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -17.928 1.563 -29.170 1.00 29.23 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -19.406 1.812 -29.443 1.00 29.13 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -20.096 0.967 -30.015 1.00 28.25 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -17.206 1.287 -30.488 1.00 30.09 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -17.097 2.485 -31.242 1.00 31.40 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -19.883 2.975 -29.014 1.00 29.11 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -21.285 3.337 -29.161 1.00 29.63 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -22.191 2.723 -28.108 1.00 29.58 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -23.416 2.809 -28.225 1.00 29.37 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -21.599 2.116 -27.076 1.00 28.77 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -22.369 1.481 -26.006 1.00 28.93 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -23.169 2.504 -25.209 1.00 29.16 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -22.693 3.609 -24.944 1.00 29.07 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -21.453 0.713 -25.063 1.00 28.74 ? 9 ALA A CB 1 ATOM 67 N N . ASP A 1 10 ? -24.383 2.122 -24.824 1.00 29.23 ? 10 ASP A N 1 ATOM 68 C CA . ASP A 1 10 ? -25.190 2.918 -23.899 1.00 29.29 ? 10 ASP A CA 1 ATOM 69 C C . ASP A 1 10 ? -25.955 1.973 -22.973 1.00 28.44 ? 10 ASP A C 1 ATOM 70 O O . ASP A 1 10 ? -25.849 0.756 -23.126 1.00 26.91 ? 10 ASP A O 1 ATOM 71 C CB . ASP A 1 10 ? -26.115 3.874 -24.670 1.00 30.32 ? 10 ASP A CB 1 ATOM 72 C CG . ASP A 1 10 ? -27.147 3.158 -25.534 1.00 31.86 ? 10 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 10 ? -27.131 1.912 -25.641 1.00 31.93 ? 10 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 10 ? -27.990 3.872 -26.119 1.00 34.04 ? 10 ASP A OD2 1 ATOM 75 N N . PRO A 1 11 ? -26.713 2.519 -22.002 1.00 28.61 ? 11 PRO A N 1 ATOM 76 C CA . PRO A 1 11 ? -27.427 1.619 -21.092 1.00 29.27 ? 11 PRO A CA 1 ATOM 77 C C . PRO A 1 11 ? -28.294 0.581 -21.796 1.00 29.64 ? 11 PRO A C 1 ATOM 78 O O . PRO A 1 11 ? -28.437 -0.535 -21.300 1.00 28.38 ? 11 PRO A O 1 ATOM 79 C CB . PRO A 1 11 ? -28.280 2.577 -20.262 1.00 29.05 ? 11 PRO A CB 1 ATOM 80 C CG . PRO A 1 11 ? -27.450 3.815 -20.192 1.00 28.80 ? 11 PRO A CG 1 ATOM 81 C CD . PRO A 1 11 ? -26.781 3.919 -21.539 1.00 28.56 ? 11 PRO A CD 1 ATOM 82 N N . SER A 1 12 ? -28.846 0.946 -22.950 1.00 31.58 ? 12 SER A N 1 ATOM 83 C CA . SER A 1 12 ? -29.685 0.042 -23.723 1.00 32.16 ? 12 SER A CA 1 ATOM 84 C C . SER A 1 12 ? -28.899 -1.123 -24.339 1.00 30.07 ? 12 SER A C 1 ATOM 85 O O . SER A 1 12 ? -29.278 -2.277 -24.156 1.00 29.80 ? 12 SER A O 1 ATOM 86 C CB . SER A 1 12 ? -30.436 0.814 -24.811 1.00 34.03 ? 12 SER A CB 1 ATOM 87 O OG . SER A 1 12 ? -31.120 -0.074 -25.680 1.00 37.57 ? 12 SER A OG 1 ATOM 88 N N . SER A 1 13 ? -27.821 -0.832 -25.067 1.00 27.88 ? 13 SER A N 1 ATOM 89 C CA . SER A 1 13 ? -27.032 -1.901 -25.698 1.00 26.79 ? 13 SER A CA 1 ATOM 90 C C . SER A 1 13 ? -26.404 -2.813 -24.644 1.00 25.72 ? 13 SER A C 1 ATOM 91 O O . SER A 1 13 ? -26.276 -4.023 -24.852 1.00 26.28 ? 13 SER A O 1 ATOM 92 C CB . SER A 1 13 ? -25.964 -1.345 -26.651 1.00 26.73 ? 13 SER A CB 1 ATOM 93 O OG . SER A 1 13 ? -24.910 -0.699 -25.954 1.00 26.42 ? 13 SER A OG 1 ATOM 94 N N . TYR A 1 14 ? -26.029 -2.237 -23.507 1.00 24.30 ? 14 TYR A N 1 ATOM 95 C CA . TYR A 1 14 ? -25.502 -3.031 -22.410 1.00 23.84 ? 14 TYR A CA 1 ATOM 96 C C . TYR A 1 14 ? -26.586 -3.957 -21.852 1.00 24.32 ? 14 TYR A C 1 ATOM 97 O O . TYR A 1 14 ? -26.330 -5.137 -21.607 1.00 23.68 ? 14 TYR A O 1 ATOM 98 C CB . TYR A 1 14 ? -24.946 -2.135 -21.308 1.00 23.40 ? 14 TYR A CB 1 ATOM 99 C CG . TYR A 1 14 ? -24.492 -2.910 -20.101 1.00 22.50 ? 14 TYR A CG 1 ATOM 100 C CD1 . TYR A 1 14 ? -23.329 -3.673 -20.135 1.00 22.10 ? 14 TYR A CD1 1 ATOM 101 C CD2 . TYR A 1 14 ? -25.230 -2.895 -18.933 1.00 22.40 ? 14 TYR A CD2 1 ATOM 102 C CE1 . TYR A 1 14 ? -22.910 -4.386 -19.028 1.00 21.89 ? 14 TYR A CE1 1 ATOM 103 C CE2 . TYR A 1 14 ? -24.823 -3.606 -17.824 1.00 22.23 ? 14 TYR A CE2 1 ATOM 104 C CZ . TYR A 1 14 ? -23.665 -4.351 -17.876 1.00 21.74 ? 14 TYR A CZ 1 ATOM 105 O OH . TYR A 1 14 ? -23.276 -5.049 -16.756 1.00 21.43 ? 14 TYR A OH 1 ATOM 106 N N . GLY A 1 15 ? -27.791 -3.419 -21.655 1.00 24.94 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? -28.937 -4.226 -21.213 1.00 25.50 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? -29.250 -5.383 -22.148 1.00 26.68 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? -29.589 -6.483 -21.704 1.00 26.67 ? 15 GLY A O 1 ATOM 110 N N . MET A 1 16 ? -29.127 -5.139 -23.448 1.00 27.83 ? 16 MET A N 1 ATOM 111 C CA . MET A 1 16 ? -29.315 -6.190 -24.446 1.00 29.50 ? 16 MET A CA 1 ATOM 112 C C . MET A 1 16 ? -28.242 -7.276 -24.317 1.00 27.85 ? 16 MET A C 1 ATOM 113 O O . MET A 1 16 ? -28.549 -8.462 -24.426 1.00 27.43 ? 16 MET A O 1 ATOM 114 C CB . MET A 1 16 ? -29.319 -5.602 -25.862 1.00 32.68 ? 16 MET A CB 1 ATOM 115 C CG . MET A 1 16 ? -30.498 -4.677 -26.144 1.00 36.25 ? 16 MET A CG 1 ATOM 116 S SD . MET A 1 16 ? -30.670 -4.234 -27.888 1.00 42.47 ? 16 MET A SD 1 ATOM 117 C CE . MET A 1 16 ? -29.423 -2.968 -28.090 1.00 41.57 ? 16 MET A CE 1 ATOM 118 N N . PHE A 1 17 ? -26.995 -6.875 -24.067 1.00 25.70 ? 17 PHE A N 1 ATOM 119 C CA . PHE A 1 17 ? -25.908 -7.840 -23.869 1.00 24.44 ? 17 PHE A CA 1 ATOM 120 C C . PHE A 1 17 ? -26.156 -8.716 -22.640 1.00 23.90 ? 17 PHE A C 1 ATOM 121 O O . PHE A 1 17 ? -25.981 -9.928 -22.694 1.00 23.40 ? 17 PHE A O 1 ATOM 122 C CB . PHE A 1 17 ? -24.552 -7.124 -23.778 1.00 24.36 ? 17 PHE A CB 1 ATOM 123 C CG . PHE A 1 17 ? -23.485 -7.899 -23.041 1.00 24.30 ? 17 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 17 ? -23.021 -9.115 -23.520 1.00 24.61 ? 17 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 17 ? -22.916 -7.380 -21.887 1.00 24.52 ? 17 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 17 ? -22.026 -9.810 -22.846 1.00 25.03 ? 17 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 17 ? -21.926 -8.065 -21.210 1.00 24.99 ? 17 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 17 ? -21.479 -9.283 -21.689 1.00 24.96 ? 17 PHE A CZ 1 ATOM 129 N N . ILE A 1 18 ? -26.576 -8.108 -21.541 1.00 23.84 ? 18 ILE A N 1 ATOM 130 C CA . ILE A 1 18 ? -26.808 -8.862 -20.312 1.00 24.33 ? 18 ILE A CA 1 ATOM 131 C C . ILE A 1 18 ? -28.021 -9.789 -20.462 1.00 25.83 ? 18 ILE A C 1 ATOM 132 O O . ILE A 1 18 ? -28.024 -10.903 -19.925 1.00 24.65 ? 18 ILE A O 1 ATOM 133 C CB . ILE A 1 18 ? -26.944 -7.919 -19.101 1.00 24.13 ? 18 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 18 ? -25.618 -7.178 -18.848 1.00 24.39 ? 18 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 18 ? -27.369 -8.678 -17.854 1.00 23.77 ? 18 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 18 ? -24.416 -8.067 -18.581 1.00 24.40 ? 18 ILE A CD1 1 ATOM 137 N N . LYS A 1 19 ? -29.032 -9.342 -21.205 1.00 27.38 ? 19 LYS A N 1 ATOM 138 C CA . LYS A 1 19 ? -30.147 -10.220 -21.571 1.00 29.97 ? 19 LYS A CA 1 ATOM 139 C C . LYS A 1 19 ? -29.650 -11.411 -22.394 1.00 28.48 ? 19 LYS A C 1 ATOM 140 O O . LYS A 1 19 ? -30.024 -12.550 -22.119 1.00 27.80 ? 19 LYS A O 1 ATOM 141 C CB . LYS A 1 19 ? -31.232 -9.456 -22.344 1.00 33.22 ? 19 LYS A CB 1 ATOM 142 C CG . LYS A 1 19 ? -32.316 -10.353 -22.941 1.00 36.72 ? 19 LYS A CG 1 ATOM 143 C CD . LYS A 1 19 ? -33.066 -9.682 -24.082 1.00 40.92 ? 19 LYS A CD 1 ATOM 144 C CE . LYS A 1 19 ? -33.760 -8.408 -23.633 1.00 44.41 ? 19 LYS A CE 1 ATOM 145 N NZ . LYS A 1 19 ? -34.974 -8.120 -24.448 1.00 46.62 ? 19 LYS A NZ 1 ATOM 146 N N . ASP A 1 20 ? -28.809 -11.146 -23.395 1.00 27.76 ? 20 ASP A N 1 ATOM 147 C CA . ASP A 1 20 ? -28.242 -12.215 -24.231 1.00 28.00 ? 20 ASP A CA 1 ATOM 148 C C . ASP A 1 20 ? -27.450 -13.212 -23.398 1.00 26.84 ? 20 ASP A C 1 ATOM 149 O O . ASP A 1 20 ? -27.540 -14.423 -23.609 1.00 25.88 ? 20 ASP A O 1 ATOM 150 C CB . ASP A 1 20 ? -27.310 -11.649 -25.311 1.00 29.12 ? 20 ASP A CB 1 ATOM 151 C CG . ASP A 1 20 ? -28.041 -10.830 -26.360 1.00 30.58 ? 20 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 20 ? -29.287 -10.850 -26.391 1.00 30.67 ? 20 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 20 ? -27.359 -10.163 -27.166 1.00 32.12 ? 20 ASP A OD2 1 ATOM 154 N N . LEU A 1 21 ? -26.651 -12.693 -22.469 1.00 25.80 ? 21 LEU A N 1 ATOM 155 C CA . LEU A 1 21 ? -25.831 -13.538 -21.602 1.00 25.11 ? 21 LEU A CA 1 ATOM 156 C C . LEU A 1 21 ? -26.706 -14.478 -20.760 1.00 25.01 ? 21 LEU A C 1 ATOM 157 O O . LEU A 1 21 ? -26.489 -15.690 -20.751 1.00 25.07 ? 21 LEU A O 1 ATOM 158 C CB . LEU A 1 21 ? -24.934 -12.665 -20.719 1.00 24.74 ? 21 LEU A CB 1 ATOM 159 C CG . LEU A 1 21 ? -24.077 -13.326 -19.638 1.00 24.96 ? 21 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 21 ? -23.286 -14.503 -20.177 1.00 25.25 ? 21 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 21 ? -23.142 -12.278 -19.049 1.00 24.94 ? 21 LEU A CD2 1 ATOM 162 N N . ARG A 1 22 ? -27.694 -13.917 -20.069 1.00 25.35 ? 22 ARG A N 1 ATOM 163 C CA . ARG A 1 22 ? -28.682 -14.716 -19.327 1.00 25.88 ? 22 ARG A CA 1 ATOM 164 C C . ARG A 1 22 ? -29.325 -15.801 -20.197 1.00 26.78 ? 22 ARG A C 1 ATOM 165 O O . ARG A 1 22 ? -29.391 -16.966 -19.809 1.00 27.40 ? 22 ARG A O 1 ATOM 166 C CB . ARG A 1 22 ? -29.793 -13.817 -18.786 1.00 25.51 ? 22 ARG A CB 1 ATOM 167 C CG . ARG A 1 22 ? -29.390 -12.964 -17.602 1.00 25.09 ? 22 ARG A CG 1 ATOM 168 C CD . ARG A 1 22 ? -30.450 -11.934 -17.260 1.00 24.62 ? 22 ARG A CD 1 ATOM 169 N NE . ARG A 1 22 ? -29.942 -11.027 -16.234 1.00 23.82 ? 22 ARG A NE 1 ATOM 170 C CZ . ARG A 1 22 ? -30.256 -9.737 -16.112 1.00 23.88 ? 22 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 22 ? -31.108 -9.142 -16.943 1.00 24.67 ? 22 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 22 ? -29.702 -9.028 -15.138 1.00 23.46 ? 22 ARG A NH2 1 ATOM 173 N N . ASN A 1 23 ? -29.793 -15.404 -21.376 1.00 28.74 ? 23 ASN A N 1 ATOM 174 C CA . ASN A 1 23 ? -30.513 -16.315 -22.276 1.00 30.86 ? 23 ASN A CA 1 ATOM 175 C C . ASN A 1 23 ? -29.650 -17.412 -22.868 1.00 30.93 ? 23 ASN A C 1 ATOM 176 O O . ASN A 1 23 ? -30.174 -18.412 -23.357 1.00 30.25 ? 23 ASN A O 1 ATOM 177 C CB . ASN A 1 23 ? -31.172 -15.542 -23.425 1.00 32.00 ? 23 ASN A CB 1 ATOM 178 C CG . ASN A 1 23 ? -32.377 -14.717 -22.987 1.00 33.42 ? 23 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 23 ? -32.804 -13.823 -23.715 1.00 35.09 ? 23 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 23 ? -32.938 -15.008 -21.815 1.00 34.18 ? 23 ASN A ND2 1 ATOM 181 N N . ALA A 1 24 ? -28.334 -17.218 -22.842 1.00 30.60 ? 24 ALA A N 1 ATOM 182 C CA . ALA A 1 24 ? -27.404 -18.226 -23.334 1.00 30.59 ? 24 ALA A CA 1 ATOM 183 C C . ALA A 1 24 ? -27.110 -19.307 -22.293 1.00 30.80 ? 24 ALA A C 1 ATOM 184 O O . ALA A 1 24 ? -26.501 -20.322 -22.617 1.00 31.23 ? 24 ALA A O 1 ATOM 185 C CB . ALA A 1 24 ? -26.111 -17.567 -23.787 1.00 30.97 ? 24 ALA A CB 1 ATOM 186 N N . LEU A 1 25 ? -27.530 -19.092 -21.050 1.00 30.47 ? 25 LEU A N 1 ATOM 187 C CA . LEU A 1 25 ? -27.307 -20.071 -19.997 1.00 30.23 ? 25 LEU A CA 1 ATOM 188 C C . LEU A 1 25 ? -28.491 -21.035 -19.978 1.00 31.31 ? 25 LEU A C 1 ATOM 189 O O . LEU A 1 25 ? -29.637 -20.604 -19.825 1.00 30.95 ? 25 LEU A O 1 ATOM 190 C CB . LEU A 1 25 ? -27.135 -19.372 -18.649 1.00 29.51 ? 25 LEU A CB 1 ATOM 191 C CG . LEU A 1 25 ? -26.019 -18.315 -18.635 1.00 29.56 ? 25 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 25 ? -26.044 -17.511 -17.345 1.00 29.25 ? 25 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 25 ? -24.646 -18.944 -18.837 1.00 29.58 ? 25 LEU A CD2 1 ATOM 194 N N . PRO A 1 26 ? -28.224 -22.338 -20.158 1.00 31.88 ? 26 PRO A N 1 ATOM 195 C CA . PRO A 1 26 ? -29.328 -23.284 -20.253 1.00 32.41 ? 26 PRO A CA 1 ATOM 196 C C . PRO A 1 26 ? -29.927 -23.617 -18.893 1.00 33.46 ? 26 PRO A C 1 ATOM 197 O O . PRO A 1 26 ? -29.242 -23.554 -17.871 1.00 31.38 ? 26 PRO A O 1 ATOM 198 C CB . PRO A 1 26 ? -28.674 -24.519 -20.878 1.00 32.07 ? 26 PRO A CB 1 ATOM 199 C CG . PRO A 1 26 ? -27.266 -24.469 -20.395 1.00 32.00 ? 26 PRO A CG 1 ATOM 200 C CD . PRO A 1 26 ? -26.915 -23.009 -20.270 1.00 31.78 ? 26 PRO A CD 1 ATOM 201 N N . HIS A 1 27 ? -31.215 -23.942 -18.900 1.00 35.13 ? 27 HIS A N 1 ATOM 202 C CA . HIS A 1 27 ? -31.917 -24.421 -17.718 1.00 37.29 ? 27 HIS A CA 1 ATOM 203 C C . HIS A 1 27 ? -33.081 -25.293 -18.185 1.00 38.29 ? 27 HIS A C 1 ATOM 204 O O . HIS A 1 27 ? -33.570 -25.114 -19.299 1.00 35.42 ? 27 HIS A O 1 ATOM 205 C CB . HIS A 1 27 ? -32.413 -23.251 -16.854 1.00 38.40 ? 27 HIS A CB 1 ATOM 206 C CG . HIS A 1 27 ? -33.438 -22.380 -17.518 1.00 39.85 ? 27 HIS A CG 1 ATOM 207 N ND1 . HIS A 1 27 ? -33.106 -21.381 -18.410 1.00 40.93 ? 27 HIS A ND1 1 ATOM 208 C CD2 . HIS A 1 27 ? -34.787 -22.339 -17.393 1.00 40.56 ? 27 HIS A CD2 1 ATOM 209 C CE1 . HIS A 1 27 ? -34.207 -20.771 -18.816 1.00 41.81 ? 27 HIS A CE1 1 ATOM 210 N NE2 . HIS A 1 27 ? -35.241 -21.335 -18.214 1.00 41.80 ? 27 HIS A NE2 1 ATOM 211 N N . THR A 1 28 ? -33.501 -26.249 -17.360 1.00 40.55 ? 28 THR A N 1 ATOM 212 C CA . THR A 1 28 ? -34.695 -27.051 -17.669 1.00 42.45 ? 28 THR A CA 1 ATOM 213 C C . THR A 1 28 ? -35.852 -26.740 -16.714 1.00 43.04 ? 28 THR A C 1 ATOM 214 O O . THR A 1 28 ? -36.959 -27.260 -16.878 1.00 43.67 ? 28 THR A O 1 ATOM 215 C CB . THR A 1 28 ? -34.392 -28.567 -17.639 1.00 43.69 ? 28 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? -33.645 -28.888 -16.462 1.00 45.60 ? 28 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? -33.599 -28.988 -18.879 1.00 44.34 ? 28 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? -35.596 -25.861 -15.748 1.00 41.91 ? 29 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? -36.493 -25.631 -14.625 1.00 42.54 ? 29 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? -36.401 -24.172 -14.176 1.00 41.26 ? 29 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? -35.328 -23.561 -14.266 1.00 40.05 ? 29 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? -36.026 -26.517 -13.476 1.00 44.55 ? 29 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? -37.097 -27.095 -12.577 1.00 46.91 ? 29 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? -36.492 -27.993 -11.511 1.00 48.26 ? 29 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? -35.565 -28.769 -11.838 1.00 50.59 ? 29 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? -36.935 -27.920 -10.346 1.00 49.59 ? 29 GLU A OE2 1 ATOM 227 N N . LYS A 1 30 ? -37.513 -23.620 -13.696 1.00 38.27 ? 30 LYS A N 1 ATOM 228 C CA . LYS A 1 30 ? -37.470 -22.405 -12.889 1.00 37.63 ? 30 LYS A CA 1 ATOM 229 C C . LYS A 1 30 ? -37.928 -22.715 -11.478 1.00 37.65 ? 30 LYS A C 1 ATOM 230 O O . LYS A 1 30 ? -38.844 -23.514 -11.267 1.00 39.22 ? 30 LYS A O 1 ATOM 231 C CB . LYS A 1 30 ? -38.332 -21.298 -13.476 1.00 37.22 ? 30 LYS A CB 1 ATOM 232 C CG . LYS A 1 30 ? -37.949 -20.944 -14.894 1.00 37.49 ? 30 LYS A CG 1 ATOM 233 C CD . LYS A 1 30 ? -38.668 -19.700 -15.364 1.00 38.41 ? 30 LYS A CD 1 ATOM 234 C CE . LYS A 1 30 ? -38.285 -19.389 -16.794 1.00 39.34 ? 30 LYS A CE 1 ATOM 235 N NZ . LYS A 1 30 ? -38.957 -18.158 -17.290 1.00 40.02 ? 30 LYS A NZ 1 ATOM 236 N N . VAL A 1 31 ? -37.264 -22.087 -10.518 1.00 36.27 ? 31 VAL A N 1 ATOM 237 C CA . VAL A 1 31 ? -37.643 -22.171 -9.126 1.00 35.34 ? 31 VAL A CA 1 ATOM 238 C C . VAL A 1 31 ? -38.097 -20.777 -8.730 1.00 35.62 ? 31 VAL A C 1 ATOM 239 O O . VAL A 1 31 ? -37.330 -19.812 -8.825 1.00 34.64 ? 31 VAL A O 1 ATOM 240 C CB . VAL A 1 31 ? -36.464 -22.635 -8.263 1.00 35.15 ? 31 VAL A CB 1 ATOM 241 C CG1 . VAL A 1 31 ? -36.849 -22.673 -6.795 1.00 35.19 ? 31 VAL A CG1 1 ATOM 242 C CG2 . VAL A 1 31 ? -35.994 -24.004 -8.729 1.00 35.28 ? 31 VAL A CG2 1 ATOM 243 N N . TYR A 1 32 ? -39.356 -20.683 -8.309 1.00 34.59 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 32 ? -40.011 -19.406 -8.061 1.00 34.20 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 32 ? -39.821 -18.439 -9.227 1.00 33.46 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 32 ? -39.565 -17.252 -9.034 1.00 34.62 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 32 ? -39.532 -18.817 -6.734 1.00 34.70 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 32 ? -40.016 -19.634 -5.567 1.00 35.19 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 32 ? -41.345 -19.563 -5.161 1.00 35.94 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 32 ? -39.168 -20.505 -4.892 1.00 35.31 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 32 ? -41.813 -20.321 -4.104 1.00 35.86 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 32 ? -39.628 -21.268 -3.832 1.00 36.09 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 32 ? -40.954 -21.169 -3.445 1.00 36.14 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 32 ? -41.429 -21.916 -2.396 1.00 37.79 ? 32 TYR A OH 1 ATOM 255 N N . ASN A 1 33 ? -39.944 -18.974 -10.439 1.00 32.54 ? 33 ASN A N 1 ATOM 256 C CA . ASN A 1 33 ? -39.895 -18.183 -11.663 1.00 33.19 ? 33 ASN A CA 1 ATOM 257 C C . ASN A 1 33 ? -38.497 -17.666 -12.064 1.00 32.39 ? 33 ASN A C 1 ATOM 258 O O . ASN A 1 33 ? -38.375 -16.838 -12.972 1.00 31.48 ? 33 ASN A O 1 ATOM 259 C CB . ASN A 1 33 ? -40.884 -17.019 -11.558 1.00 34.89 ? 33 ASN A CB 1 ATOM 260 C CG . ASN A 1 33 ? -41.360 -16.541 -12.907 1.00 36.34 ? 33 ASN A CG 1 ATOM 261 O OD1 . ASN A 1 33 ? -41.542 -17.335 -13.832 1.00 38.44 ? 33 ASN A OD1 1 ATOM 262 N ND2 . ASN A 1 33 ? -41.557 -15.237 -13.034 1.00 38.35 ? 33 ASN A ND2 1 ATOM 263 N N . ILE A 1 34 ? -37.458 -18.170 -11.395 1.00 31.08 ? 34 ILE A N 1 ATOM 264 C CA . ILE A 1 34 ? -36.065 -17.827 -11.692 1.00 29.82 ? 34 ILE A CA 1 ATOM 265 C C . ILE A 1 34 ? -35.390 -19.048 -12.301 1.00 28.97 ? 34 ILE A C 1 ATOM 266 O O . ILE A 1 34 ? -35.442 -20.128 -11.714 1.00 29.05 ? 34 ILE A O 1 ATOM 267 C CB . ILE A 1 34 ? -35.290 -17.463 -10.411 1.00 29.57 ? 34 ILE A CB 1 ATOM 268 C CG1 . ILE A 1 34 ? -36.018 -16.367 -9.643 1.00 29.05 ? 34 ILE A CG1 1 ATOM 269 C CG2 . ILE A 1 34 ? -33.869 -17.002 -10.731 1.00 29.35 ? 34 ILE A CG2 1 ATOM 270 C CD1 . ILE A 1 34 ? -35.847 -16.491 -8.151 1.00 28.85 ? 34 ILE A CD1 1 ATOM 271 N N . PRO A 1 35 ? -34.741 -18.882 -13.467 1.00 27.49 ? 35 PRO A N 1 ATOM 272 C CA . PRO A 1 35 ? -34.022 -19.984 -14.093 1.00 27.44 ? 35 PRO A CA 1 ATOM 273 C C . PRO A 1 35 ? -33.042 -20.662 -13.135 1.00 27.35 ? 35 PRO A C 1 ATOM 274 O O . PRO A 1 35 ? -32.291 -19.979 -12.431 1.00 25.57 ? 35 PRO A O 1 ATOM 275 C CB . PRO A 1 35 ? -33.286 -19.300 -15.246 1.00 27.80 ? 35 PRO A CB 1 ATOM 276 C CG . PRO A 1 35 ? -34.170 -18.154 -15.604 1.00 27.47 ? 35 PRO A CG 1 ATOM 277 C CD . PRO A 1 35 ? -34.681 -17.659 -14.288 1.00 27.35 ? 35 PRO A CD 1 ATOM 278 N N . LEU A 1 36 ? -33.093 -21.995 -13.096 1.00 27.15 ? 36 LEU A N 1 ATOM 279 C CA . LEU A 1 36 ? -32.206 -22.804 -12.266 1.00 28.09 ? 36 LEU A CA 1 ATOM 280 C C . LEU A 1 36 ? -31.102 -23.347 -13.154 1.00 27.76 ? 36 LEU A C 1 ATOM 281 O O . LEU A 1 36 ? -31.367 -24.109 -14.086 1.00 26.96 ? 36 LEU A O 1 ATOM 282 C CB . LEU A 1 36 ? -32.967 -23.967 -11.606 1.00 28.99 ? 36 LEU A CB 1 ATOM 283 C CG . LEU A 1 36 ? -32.125 -24.987 -10.823 1.00 29.33 ? 36 LEU A CG 1 ATOM 284 C CD1 . LEU A 1 36 ? -31.473 -24.340 -9.613 1.00 29.54 ? 36 LEU A CD1 1 ATOM 285 C CD2 . LEU A 1 36 ? -32.958 -26.190 -10.395 1.00 29.67 ? 36 LEU A CD2 1 ATOM 286 N N . LEU A 1 37 ? -29.864 -22.954 -12.873 1.00 27.67 ? 37 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? -28.736 -23.420 -13.668 1.00 28.10 ? 37 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? -28.546 -24.917 -13.475 1.00 29.60 ? 37 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? -28.866 -25.463 -12.420 1.00 29.18 ? 37 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? -27.450 -22.658 -13.317 1.00 27.15 ? 37 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? -27.461 -21.166 -13.685 1.00 26.54 ? 37 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? -26.217 -20.465 -13.152 1.00 26.59 ? 37 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? -27.571 -20.975 -15.189 1.00 26.63 ? 37 LEU A CD2 1 ATOM 294 N N . LEU A 1 38 ? -28.021 -25.568 -14.508 1.00 32.13 ? 38 LEU A N 1 ATOM 295 C CA . LEU A 1 38 ? -27.916 -27.022 -14.522 1.00 33.78 ? 38 LEU A CA 1 ATOM 296 C C . LEU A 1 38 ? -26.890 -27.540 -13.514 1.00 34.40 ? 38 LEU A C 1 ATOM 297 O O . LEU A 1 38 ? -25.926 -26.844 -13.195 1.00 33.36 ? 38 LEU A O 1 ATOM 298 C CB . LEU A 1 38 ? -27.568 -27.517 -15.932 1.00 34.89 ? 38 LEU A CB 1 ATOM 299 C CG . LEU A 1 38 ? -28.600 -27.189 -17.017 1.00 36.36 ? 38 LEU A CG 1 ATOM 300 C CD1 . LEU A 1 38 ? -28.133 -27.643 -18.391 1.00 36.66 ? 38 LEU A CD1 1 ATOM 301 C CD2 . LEU A 1 38 ? -29.949 -27.815 -16.692 1.00 37.00 ? 38 LEU A CD2 1 ATOM 302 N N . PRO A 1 39 ? -27.098 -28.771 -13.006 1.00 35.25 ? 39 PRO A N 1 ATOM 303 C CA . PRO A 1 39 ? -26.119 -29.381 -12.109 1.00 35.52 ? 39 PRO A CA 1 ATOM 304 C C . PRO A 1 39 ? -24.771 -29.568 -12.793 1.00 35.89 ? 39 PRO A C 1 ATOM 305 O O . PRO A 1 39 ? -23.732 -29.310 -12.193 1.00 35.07 ? 39 PRO A O 1 ATOM 306 C CB . PRO A 1 39 ? -26.741 -30.745 -11.777 1.00 35.94 ? 39 PRO A CB 1 ATOM 307 C CG . PRO A 1 39 ? -28.182 -30.616 -12.121 1.00 35.61 ? 39 PRO A CG 1 ATOM 308 C CD . PRO A 1 39 ? -28.213 -29.691 -13.293 1.00 35.54 ? 39 PRO A CD 1 ATOM 309 N N . SER A 1 40 ? -24.795 -30.021 -14.040 1.00 37.90 ? 40 SER A N 1 ATOM 310 C CA . SER A 1 40 ? -23.576 -30.125 -14.826 1.00 39.32 ? 40 SER A CA 1 ATOM 311 C C . SER A 1 40 ? -23.893 -30.206 -16.309 1.00 40.10 ? 40 SER A C 1 ATOM 312 O O . SER A 1 40 ? -25.039 -30.423 -16.706 1.00 40.70 ? 40 SER A O 1 ATOM 313 C CB . SER A 1 40 ? -22.746 -31.336 -14.389 1.00 40.15 ? 40 SER A CB 1 ATOM 314 O OG . SER A 1 40 ? -23.455 -32.542 -14.591 1.00 42.05 ? 40 SER A OG 1 ATOM 315 N N . VAL A 1 41 ? -22.857 -29.991 -17.112 1.00 40.55 ? 41 VAL A N 1 ATOM 316 C CA . VAL A 1 41 ? -22.915 -30.111 -18.561 1.00 40.73 ? 41 VAL A CA 1 ATOM 317 C C . VAL A 1 41 ? -21.590 -30.735 -18.965 1.00 43.27 ? 41 VAL A C 1 ATOM 318 O O . VAL A 1 41 ? -20.552 -30.421 -18.373 1.00 43.66 ? 41 VAL A O 1 ATOM 319 C CB . VAL A 1 41 ? -23.044 -28.738 -19.258 1.00 39.78 ? 41 VAL A CB 1 ATOM 320 C CG1 . VAL A 1 41 ? -23.023 -28.896 -20.771 1.00 38.88 ? 41 VAL A CG1 1 ATOM 321 C CG2 . VAL A 1 41 ? -24.310 -28.006 -18.826 1.00 39.23 ? 41 VAL A CG2 1 ATOM 322 N N . SER A 1 42 ? -21.616 -31.615 -19.963 1.00 45.07 ? 42 SER A N 1 ATOM 323 C CA . SER A 1 42 ? -20.414 -32.345 -20.359 1.00 46.10 ? 42 SER A CA 1 ATOM 324 C C . SER A 1 42 ? -19.833 -31.827 -21.659 1.00 44.92 ? 42 SER A C 1 ATOM 325 O O . SER A 1 42 ? -20.559 -31.406 -22.562 1.00 45.24 ? 42 SER A O 1 ATOM 326 C CB . SER A 1 42 ? -20.697 -33.842 -20.486 1.00 47.57 ? 42 SER A CB 1 ATOM 327 O OG . SER A 1 42 ? -20.727 -34.454 -19.209 1.00 49.15 ? 42 SER A OG 1 ATOM 328 N N . GLY A 1 43 ? -18.508 -31.879 -21.737 1.00 43.54 ? 43 GLY A N 1 ATOM 329 C CA . GLY A 1 43 ? -17.788 -31.494 -22.931 1.00 42.55 ? 43 GLY A CA 1 ATOM 330 C C . GLY A 1 43 ? -17.741 -29.994 -23.116 1.00 41.55 ? 43 GLY A C 1 ATOM 331 O O . GLY A 1 43 ? -17.832 -29.227 -22.154 1.00 41.77 ? 43 GLY A O 1 ATOM 332 N N . ALA A 1 44 ? -17.618 -29.588 -24.374 1.00 40.48 ? 44 ALA A N 1 ATOM 333 C CA . ALA A 1 44 ? -17.441 -28.190 -24.735 1.00 39.85 ? 44 ALA A CA 1 ATOM 334 C C . ALA A 1 44 ? -18.705 -27.369 -24.496 1.00 39.24 ? 44 ALA A C 1 ATOM 335 O O . ALA A 1 44 ? -18.632 -26.150 -24.337 1.00 39.05 ? 44 ALA A O 1 ATOM 336 C CB . ALA A 1 44 ? -17.016 -28.086 -26.191 1.00 40.25 ? 44 ALA A CB 1 ATOM 337 N N . GLY A 1 45 ? -19.858 -28.039 -24.456 1.00 37.71 ? 45 GLY A N 1 ATOM 338 C CA . GLY A 1 45 ? -21.137 -27.377 -24.201 1.00 36.71 ? 45 GLY A CA 1 ATOM 339 C C . GLY A 1 45 ? -21.225 -26.681 -22.852 1.00 35.52 ? 45 GLY A C 1 ATOM 340 O O . GLY A 1 45 ? -22.100 -25.841 -22.635 1.00 35.65 ? 45 GLY A O 1 ATOM 341 N N . ARG A 1 46 ? -20.318 -27.033 -21.947 1.00 34.02 ? 46 ARG A N 1 ATOM 342 C CA . ARG A 1 46 ? -20.234 -26.403 -20.638 1.00 34.19 ? 46 ARG A CA 1 ATOM 343 C C . ARG A 1 46 ? -19.839 -24.921 -20.683 1.00 32.41 ? 46 ARG A C 1 ATOM 344 O O . ARG A 1 46 ? -20.117 -24.179 -19.742 1.00 32.12 ? 46 ARG A O 1 ATOM 345 C CB . ARG A 1 46 ? -19.215 -27.158 -19.800 1.00 36.02 ? 46 ARG A CB 1 ATOM 346 C CG . ARG A 1 46 ? -19.192 -26.753 -18.349 1.00 38.01 ? 46 ARG A CG 1 ATOM 347 C CD . ARG A 1 46 ? -18.212 -27.611 -17.589 1.00 40.53 ? 46 ARG A CD 1 ATOM 348 N NE . ARG A 1 46 ? -18.317 -27.307 -16.175 1.00 43.45 ? 46 ARG A NE 1 ATOM 349 C CZ . ARG A 1 46 ? -19.074 -27.969 -15.305 1.00 45.63 ? 46 ARG A CZ 1 ATOM 350 N NH1 . ARG A 1 46 ? -19.789 -29.036 -15.670 1.00 46.76 ? 46 ARG A NH1 1 ATOM 351 N NH2 . ARG A 1 46 ? -19.098 -27.568 -14.042 1.00 46.53 ? 46 ARG A NH2 1 ATOM 352 N N . TYR A 1 47 ? -19.199 -24.496 -21.772 1.00 31.66 ? 47 TYR A N 1 ATOM 353 C CA . TYR A 1 47 ? -18.581 -23.171 -21.848 1.00 30.83 ? 47 TYR A CA 1 ATOM 354 C C . TYR A 1 47 ? -19.212 -22.250 -22.882 1.00 30.69 ? 47 TYR A C 1 ATOM 355 O O . TYR A 1 47 ? -19.292 -22.581 -24.064 1.00 31.74 ? 47 TYR A O 1 ATOM 356 C CB . TYR A 1 47 ? -17.090 -23.323 -22.136 1.00 30.29 ? 47 TYR A CB 1 ATOM 357 C CG . TYR A 1 47 ? -16.467 -24.304 -21.194 1.00 29.86 ? 47 TYR A CG 1 ATOM 358 C CD1 . TYR A 1 47 ? -16.323 -23.993 -19.848 1.00 29.06 ? 47 TYR A CD1 1 ATOM 359 C CD2 . TYR A 1 47 ? -16.071 -25.563 -21.629 1.00 29.39 ? 47 TYR A CD2 1 ATOM 360 C CE1 . TYR A 1 47 ? -15.776 -24.903 -18.962 1.00 29.00 ? 47 TYR A CE1 1 ATOM 361 C CE2 . TYR A 1 47 ? -15.520 -26.480 -20.751 1.00 28.84 ? 47 TYR A CE2 1 ATOM 362 C CZ . TYR A 1 47 ? -15.377 -26.148 -19.424 1.00 28.87 ? 47 TYR A CZ 1 ATOM 363 O OH . TYR A 1 47 ? -14.825 -27.063 -18.559 1.00 29.75 ? 47 TYR A OH 1 ATOM 364 N N . LEU A 1 48 ? -19.652 -21.088 -22.410 1.00 29.79 ? 48 LEU A N 1 ATOM 365 C CA . LEU A 1 48 ? -20.127 -20.008 -23.265 1.00 29.53 ? 48 LEU A CA 1 ATOM 366 C C . LEU A 1 48 ? -18.975 -19.067 -23.602 1.00 28.85 ? 48 LEU A C 1 ATOM 367 O O . LEU A 1 48 ? -18.150 -18.761 -22.740 1.00 27.77 ? 48 LEU A O 1 ATOM 368 C CB . LEU A 1 48 ? -21.220 -19.227 -22.537 1.00 30.27 ? 48 LEU A CB 1 ATOM 369 C CG . LEU A 1 48 ? -21.692 -17.889 -23.107 1.00 31.31 ? 48 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 48 ? -22.302 -18.048 -24.489 1.00 32.00 ? 48 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 48 ? -22.699 -17.279 -22.148 1.00 31.89 ? 48 LEU A CD2 1 ATOM 372 N N . LEU A 1 49 ? -18.930 -18.605 -24.848 1.00 28.92 ? 49 LEU A N 1 ATOM 373 C CA . LEU A 1 49 ? -17.932 -17.626 -25.270 1.00 29.24 ? 49 LEU A CA 1 ATOM 374 C C . LEU A 1 49 ? -18.560 -16.249 -25.372 1.00 28.78 ? 49 LEU A C 1 ATOM 375 O O . LEU A 1 49 ? -19.555 -16.069 -26.079 1.00 28.06 ? 49 LEU A O 1 ATOM 376 C CB . LEU A 1 49 ? -17.332 -18.020 -26.615 1.00 30.23 ? 49 LEU A CB 1 ATOM 377 C CG . LEU A 1 49 ? -16.733 -19.425 -26.660 1.00 31.17 ? 49 LEU A CG 1 ATOM 378 C CD1 . LEU A 1 49 ? -16.134 -19.671 -28.034 1.00 32.08 ? 49 LEU A CD1 1 ATOM 379 C CD2 . LEU A 1 49 ? -15.697 -19.636 -25.559 1.00 31.30 ? 49 LEU A CD2 1 ATOM 380 N N . MET A 1 50 ? -17.993 -15.289 -24.642 1.00 28.08 ? 50 MET A N 1 ATOM 381 C CA . MET A 1 50 ? -18.386 -13.892 -24.769 1.00 27.86 ? 50 MET A CA 1 ATOM 382 C C . MET A 1 50 ? -17.328 -13.145 -25.565 1.00 27.87 ? 50 MET A C 1 ATOM 383 O O . MET A 1 50 ? -16.158 -13.109 -25.178 1.00 26.82 ? 50 MET A O 1 ATOM 384 C CB . MET A 1 50 ? -18.516 -13.200 -23.413 1.00 28.34 ? 50 MET A CB 1 ATOM 385 C CG . MET A 1 50 ? -19.303 -13.924 -22.343 1.00 28.98 ? 50 MET A CG 1 ATOM 386 S SD . MET A 1 50 ? -19.613 -12.745 -21.007 1.00 29.72 ? 50 MET A SD 1 ATOM 387 C CE . MET A 1 50 ? -18.041 -12.719 -20.141 1.00 28.28 ? 50 MET A CE 1 ATOM 388 N N . HIS A 1 51 ? -17.751 -12.529 -26.660 1.00 28.07 ? 51 HIS A N 1 ATOM 389 C CA . HIS A 1 51 ? -16.878 -11.689 -27.466 1.00 29.02 ? 51 HIS A CA 1 ATOM 390 C C . HIS A 1 51 ? -17.044 -10.254 -27.019 1.00 27.72 ? 51 HIS A C 1 ATOM 391 O O . HIS A 1 51 ? -18.123 -9.676 -27.172 1.00 27.85 ? 51 HIS A O 1 ATOM 392 C CB . HIS A 1 51 ? -17.249 -11.810 -28.938 1.00 30.74 ? 51 HIS A CB 1 ATOM 393 C CG . HIS A 1 51 ? -17.213 -13.214 -29.440 1.00 33.59 ? 51 HIS A CG 1 ATOM 394 N ND1 . HIS A 1 51 ? -16.044 -13.938 -29.520 1.00 34.59 ? 51 HIS A ND1 1 ATOM 395 C CD2 . HIS A 1 51 ? -18.200 -14.041 -29.856 1.00 35.08 ? 51 HIS A CD2 1 ATOM 396 C CE1 . HIS A 1 51 ? -16.310 -15.148 -29.977 1.00 36.09 ? 51 HIS A CE1 1 ATOM 397 N NE2 . HIS A 1 51 ? -17.611 -15.236 -30.191 1.00 36.34 ? 51 HIS A NE2 1 ATOM 398 N N . LEU A 1 52 ? -15.982 -9.677 -26.467 1.00 25.85 ? 52 LEU A N 1 ATOM 399 C CA . LEU A 1 52 ? -16.032 -8.303 -25.986 1.00 25.10 ? 52 LEU A CA 1 ATOM 400 C C . LEU A 1 52 ? -15.072 -7.436 -26.779 1.00 26.07 ? 52 LEU A C 1 ATOM 401 O O . LEU A 1 52 ? -13.912 -7.812 -26.980 1.00 26.02 ? 52 LEU A O 1 ATOM 402 C CB . LEU A 1 52 ? -15.689 -8.247 -24.501 1.00 24.57 ? 52 LEU A CB 1 ATOM 403 C CG . LEU A 1 52 ? -16.518 -9.149 -23.585 1.00 23.80 ? 52 LEU A CG 1 ATOM 404 C CD1 . LEU A 1 52 ? -15.940 -9.135 -22.178 1.00 23.74 ? 52 LEU A CD1 1 ATOM 405 C CD2 . LEU A 1 52 ? -17.987 -8.741 -23.577 1.00 23.66 ? 52 LEU A CD2 1 ATOM 406 N N . PHE A 1 53 ? -15.557 -6.275 -27.218 1.00 26.17 ? 53 PHE A N 1 ATOM 407 C CA . PHE A 1 53 ? -14.760 -5.348 -28.021 1.00 27.24 ? 53 PHE A CA 1 ATOM 408 C C . PHE A 1 53 ? -14.599 -4.036 -27.291 1.00 26.98 ? 53 PHE A C 1 ATOM 409 O O . PHE A 1 53 ? -15.585 -3.428 -26.862 1.00 25.78 ? 53 PHE A O 1 ATOM 410 C CB . PHE A 1 53 ? -15.419 -5.052 -29.367 1.00 27.97 ? 53 PHE A CB 1 ATOM 411 C CG . PHE A 1 53 ? -15.657 -6.266 -30.209 1.00 28.64 ? 53 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 53 ? -16.696 -7.133 -29.907 1.00 29.04 ? 53 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 53 ? -14.861 -6.534 -31.316 1.00 29.55 ? 53 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 53 ? -16.929 -8.254 -30.679 1.00 29.67 ? 53 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 53 ? -15.090 -7.658 -32.097 1.00 30.06 ? 53 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 53 ? -16.128 -8.516 -31.779 1.00 30.30 ? 53 PHE A CZ 1 ATOM 417 N N . ASN A 1 54 ? -13.355 -3.590 -27.160 1.00 27.13 ? 54 ASN A N 1 ATOM 418 C CA . ASN A 1 54 ? -13.105 -2.298 -26.565 1.00 27.40 ? 54 ASN A CA 1 ATOM 419 C C . ASN A 1 54 ? -13.482 -1.204 -27.557 1.00 28.26 ? 54 ASN A C 1 ATOM 420 O O . ASN A 1 54 ? -13.840 -1.483 -28.704 1.00 27.78 ? 54 ASN A O 1 ATOM 421 C CB . ASN A 1 54 ? -11.660 -2.184 -26.049 1.00 26.66 ? 54 ASN A CB 1 ATOM 422 C CG . ASN A 1 54 ? -10.622 -2.002 -27.146 1.00 26.63 ? 54 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 54 ? -10.922 -1.947 -28.342 1.00 26.53 ? 54 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 54 ? -9.368 -1.911 -26.722 1.00 25.96 ? 54 ASN A ND2 1 ATOM 425 N N . TYR A 1 55 ? -13.418 0.035 -27.102 1.00 30.17 ? 55 TYR A N 1 ATOM 426 C CA . TYR A 1 55 ? -13.842 1.169 -27.904 1.00 33.20 ? 55 TYR A CA 1 ATOM 427 C C . TYR A 1 55 ? -13.164 1.231 -29.284 1.00 32.61 ? 55 TYR A C 1 ATOM 428 O O . TYR A 1 55 ? -13.805 1.589 -30.276 1.00 32.68 ? 55 TYR A O 1 ATOM 429 C CB . TYR A 1 55 ? -13.584 2.447 -27.124 1.00 35.40 ? 55 TYR A CB 1 ATOM 430 C CG . TYR A 1 55 ? -13.963 3.675 -27.879 1.00 38.95 ? 55 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 55 ? -15.267 4.167 -27.842 1.00 40.48 ? 55 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 55 ? -13.021 4.345 -28.646 1.00 40.12 ? 55 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 55 ? -15.615 5.307 -28.545 1.00 42.03 ? 55 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 55 ? -13.355 5.479 -29.350 1.00 41.96 ? 55 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 55 ? -14.648 5.957 -29.296 1.00 42.64 ? 55 TYR A CZ 1 ATOM 436 O OH . TYR A 1 55 ? -14.958 7.083 -30.003 1.00 45.04 ? 55 TYR A OH 1 ATOM 437 N N . ASP A 1 56 ? -11.882 0.874 -29.338 1.00 31.51 ? 56 ASP A N 1 ATOM 438 C CA . ASP A 1 56 ? -11.126 0.845 -30.596 1.00 32.67 ? 56 ASP A CA 1 ATOM 439 C C . ASP A 1 56 ? -11.357 -0.410 -31.418 1.00 31.72 ? 56 ASP A C 1 ATOM 440 O O . ASP A 1 56 ? -10.751 -0.574 -32.478 1.00 32.07 ? 56 ASP A O 1 ATOM 441 C CB . ASP A 1 56 ? -9.628 0.978 -30.328 1.00 33.89 ? 56 ASP A CB 1 ATOM 442 C CG . ASP A 1 56 ? -9.265 2.307 -29.718 1.00 35.45 ? 56 ASP A CG 1 ATOM 443 O OD1 . ASP A 1 56 ? -9.957 3.303 -30.007 1.00 36.42 ? 56 ASP A OD1 1 ATOM 444 O OD2 . ASP A 1 56 ? -8.287 2.356 -28.947 1.00 37.72 ? 56 ASP A OD2 1 ATOM 445 N N . GLY A 1 57 ? -12.211 -1.305 -30.934 1.00 30.58 ? 57 GLY A N 1 ATOM 446 C CA . GLY A 1 57 ? -12.608 -2.462 -31.721 1.00 29.86 ? 57 GLY A CA 1 ATOM 447 C C . GLY A 1 57 ? -11.700 -3.669 -31.587 1.00 29.36 ? 57 GLY A C 1 ATOM 448 O O . GLY A 1 57 ? -11.866 -4.640 -32.318 1.00 28.91 ? 57 GLY A O 1 ATOM 449 N N . ASN A 1 58 ? -10.732 -3.619 -30.674 1.00 29.50 ? 58 ASN A N 1 ATOM 450 C CA . ASN A 1 58 ? -9.965 -4.813 -30.328 1.00 30.98 ? 58 ASN A CA 1 ATOM 451 C C . ASN A 1 58 ? -10.802 -5.698 -29.436 1.00 30.88 ? 58 ASN A C 1 ATOM 452 O O . ASN A 1 58 ? -11.698 -5.217 -28.744 1.00 30.54 ? 58 ASN A O 1 ATOM 453 C CB . ASN A 1 58 ? -8.689 -4.468 -29.576 1.00 32.84 ? 58 ASN A CB 1 ATOM 454 C CG . ASN A 1 58 ? -7.668 -3.765 -30.439 1.00 35.05 ? 58 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 58 ? -7.655 -3.907 -31.663 1.00 37.68 ? 58 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 58 ? -6.785 -3.014 -29.796 1.00 36.83 ? 58 ASN A ND2 1 ATOM 457 N N . THR A 1 59 ? -10.474 -6.980 -29.410 1.00 30.69 ? 59 THR A N 1 ATOM 458 C CA . THR A 1 59 ? -11.383 -7.959 -28.855 1.00 30.98 ? 59 THR A CA 1 ATOM 459 C C . THR A 1 59 ? -10.689 -9.029 -28.030 1.00 29.58 ? 59 THR A C 1 ATOM 460 O O . THR A 1 59 ? -9.559 -9.428 -28.324 1.00 29.65 ? 59 THR A O 1 ATOM 461 C CB . THR A 1 59 ? -12.194 -8.638 -29.981 1.00 32.16 ? 59 THR A CB 1 ATOM 462 O OG1 . THR A 1 59 ? -13.186 -9.498 -29.410 1.00 32.51 ? 59 THR A OG1 1 ATOM 463 C CG2 . THR A 1 59 ? -11.285 -9.441 -30.927 1.00 32.49 ? 59 THR A CG2 1 ATOM 464 N N . ILE A 1 60 ? -11.382 -9.466 -26.984 1.00 27.19 ? 60 ILE A N 1 ATOM 465 C CA . ILE A 1 60 ? -11.034 -10.677 -26.270 1.00 25.59 ? 60 ILE A CA 1 ATOM 466 C C . ILE A 1 60 ? -12.269 -11.568 -26.274 1.00 25.44 ? 60 ILE A C 1 ATOM 467 O O . ILE A 1 60 ? -13.396 -11.082 -26.421 1.00 25.71 ? 60 ILE A O 1 ATOM 468 C CB . ILE A 1 60 ? -10.554 -10.393 -24.825 1.00 25.08 ? 60 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 60 ? -11.686 -9.833 -23.948 1.00 24.42 ? 60 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 60 ? -9.373 -9.434 -24.858 1.00 25.06 ? 60 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 60 ? -11.342 -9.729 -22.475 1.00 24.41 ? 60 ILE A CD1 1 ATOM 472 N N . THR A 1 61 ? -12.045 -12.869 -26.147 1.00 24.69 ? 61 THR A N 1 ATOM 473 C CA . THR A 1 61 ? -13.123 -13.831 -26.012 1.00 24.88 ? 61 THR A CA 1 ATOM 474 C C . THR A 1 61 ? -12.979 -14.456 -24.638 1.00 23.47 ? 61 THR A C 1 ATOM 475 O O . THR A 1 61 ? -11.916 -14.967 -24.291 1.00 23.03 ? 61 THR A O 1 ATOM 476 C CB . THR A 1 61 ? -13.063 -14.887 -27.128 1.00 25.71 ? 61 THR A CB 1 ATOM 477 O OG1 . THR A 1 61 ? -13.109 -14.220 -28.394 1.00 26.61 ? 61 THR A OG1 1 ATOM 478 C CG2 . THR A 1 61 ? -14.231 -15.865 -27.037 1.00 26.02 ? 61 THR A CG2 1 ATOM 479 N N . VAL A 1 62 ? -14.046 -14.380 -23.850 1.00 22.32 ? 62 VAL A N 1 ATOM 480 C CA . VAL A 1 62 ? -14.039 -14.837 -22.468 1.00 21.81 ? 62 VAL A CA 1 ATOM 481 C C . VAL A 1 62 ? -14.851 -16.121 -22.383 1.00 22.34 ? 62 VAL A C 1 ATOM 482 O O . VAL A 1 62 ? -15.975 -16.171 -22.885 1.00 22.46 ? 62 VAL A O 1 ATOM 483 C CB . VAL A 1 62 ? -14.683 -13.782 -21.546 1.00 21.00 ? 62 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 62 ? -14.760 -14.278 -20.109 1.00 20.69 ? 62 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 62 ? -13.909 -12.476 -21.602 1.00 20.74 ? 62 VAL A CG2 1 ATOM 486 N N . ALA A 1 63 ? -14.296 -17.142 -21.734 1.00 22.17 ? 63 ALA A N 1 ATOM 487 C CA . ALA A 1 63 ? -14.992 -18.425 -21.562 1.00 22.76 ? 63 ALA A CA 1 ATOM 488 C C . ALA A 1 63 ? -15.677 -18.484 -20.208 1.00 22.76 ? 63 ALA A C 1 ATOM 489 O O . ALA A 1 63 ? -15.025 -18.316 -19.177 1.00 22.56 ? 63 ALA A O 1 ATOM 490 C CB . ALA A 1 63 ? -14.017 -19.586 -21.688 1.00 22.83 ? 63 ALA A CB 1 ATOM 491 N N . VAL A 1 64 ? -16.983 -18.748 -20.223 1.00 22.75 ? 64 VAL A N 1 ATOM 492 C CA . VAL A 1 64 ? -17.805 -18.784 -19.018 1.00 22.65 ? 64 VAL A CA 1 ATOM 493 C C . VAL A 1 64 ? -18.432 -20.174 -18.828 1.00 23.58 ? 64 VAL A C 1 ATOM 494 O O . VAL A 1 64 ? -19.053 -20.702 -19.748 1.00 24.32 ? 64 VAL A O 1 ATOM 495 C CB . VAL A 1 64 ? -18.934 -17.735 -19.111 1.00 22.15 ? 64 VAL A CB 1 ATOM 496 C CG1 . VAL A 1 64 ? -19.813 -17.754 -17.864 1.00 21.72 ? 64 VAL A CG1 1 ATOM 497 C CG2 . VAL A 1 64 ? -18.361 -16.340 -19.337 1.00 22.16 ? 64 VAL A CG2 1 ATOM 498 N N . ASP A 1 65 ? -18.273 -20.749 -17.637 1.00 24.32 ? 65 ASP A N 1 ATOM 499 C CA . ASP A 1 65 ? -18.923 -22.012 -17.275 1.00 25.24 ? 65 ASP A CA 1 ATOM 500 C C . ASP A 1 65 ? -20.429 -21.746 -17.089 1.00 25.54 ? 65 ASP A C 1 ATOM 501 O O . ASP A 1 65 ? -20.834 -20.963 -16.220 1.00 24.43 ? 65 ASP A O 1 ATOM 502 C CB . ASP A 1 65 ? -18.267 -22.602 -16.012 1.00 26.28 ? 65 ASP A CB 1 ATOM 503 C CG . ASP A 1 65 ? -18.886 -23.939 -15.563 1.00 27.29 ? 65 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 65 ? -20.104 -24.158 -15.745 1.00 27.85 ? 65 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 65 ? -18.149 -24.772 -14.997 1.00 28.90 ? 65 ASP A OD2 1 ATOM 506 N N . VAL A 1 66 ? -21.249 -22.390 -17.921 1.00 26.73 ? 66 VAL A N 1 ATOM 507 C CA . VAL A 1 66 ? -22.690 -22.089 -17.972 1.00 27.46 ? 66 VAL A CA 1 ATOM 508 C C . VAL A 1 66 ? -23.491 -22.626 -16.781 1.00 27.86 ? 66 VAL A C 1 ATOM 509 O O . VAL A 1 66 ? -24.667 -22.291 -16.634 1.00 28.79 ? 66 VAL A O 1 ATOM 510 C CB . VAL A 1 66 ? -23.355 -22.552 -19.296 1.00 28.02 ? 66 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 66 ? -22.658 -21.929 -20.500 1.00 27.98 ? 66 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 66 ? -23.402 -24.075 -19.411 1.00 28.79 ? 66 VAL A CG2 1 ATOM 513 N N . THR A 1 67 ? -22.859 -23.435 -15.933 1.00 27.77 ? 67 THR A N 1 ATOM 514 C CA . THR A 1 67 ? -23.514 -23.985 -14.749 1.00 28.30 ? 67 THR A CA 1 ATOM 515 C C . THR A 1 67 ? -23.415 -23.060 -13.540 1.00 27.61 ? 67 THR A C 1 ATOM 516 O O . THR A 1 67 ? -24.237 -23.146 -12.636 1.00 26.55 ? 67 THR A O 1 ATOM 517 C CB . THR A 1 67 ? -22.933 -25.363 -14.345 1.00 29.27 ? 67 THR A CB 1 ATOM 518 O OG1 . THR A 1 67 ? -21.597 -25.213 -13.842 1.00 29.04 ? 67 THR A OG1 1 ATOM 519 C CG2 . THR A 1 67 ? -22.933 -26.310 -15.526 1.00 29.78 ? 67 THR A CG2 1 ATOM 520 N N . ASN A 1 68 ? -22.408 -22.186 -13.521 1.00 26.85 ? 68 ASN A N 1 ATOM 521 C CA . ASN A 1 68 ? -22.189 -21.294 -12.376 1.00 25.59 ? 68 ASN A CA 1 ATOM 522 C C . ASN A 1 68 ? -21.845 -19.832 -12.716 1.00 24.45 ? 68 ASN A C 1 ATOM 523 O O . ASN A 1 68 ? -21.681 -19.025 -11.811 1.00 22.81 ? 68 ASN A O 1 ATOM 524 C CB . ASN A 1 68 ? -21.106 -21.888 -11.465 1.00 26.52 ? 68 ASN A CB 1 ATOM 525 C CG . ASN A 1 68 ? -19.829 -22.225 -12.215 1.00 26.73 ? 68 ASN A CG 1 ATOM 526 O OD1 . ASN A 1 68 ? -19.517 -21.617 -13.237 1.00 25.91 ? 68 ASN A OD1 1 ATOM 527 N ND2 . ASN A 1 68 ? -19.079 -23.195 -11.701 1.00 27.75 ? 68 ASN A ND2 1 ATOM 528 N N . VAL A 1 69 ? -21.773 -19.513 -14.010 1.00 23.91 ? 69 VAL A N 1 ATOM 529 C CA . VAL A 1 69 ? -21.394 -18.186 -14.540 1.00 24.28 ? 69 VAL A CA 1 ATOM 530 C C . VAL A 1 69 ? -19.978 -17.746 -14.121 1.00 24.96 ? 69 VAL A C 1 ATOM 531 O O . VAL A 1 69 ? -19.690 -16.548 -14.073 1.00 25.17 ? 69 VAL A O 1 ATOM 532 C CB . VAL A 1 69 ? -22.429 -17.066 -14.213 1.00 23.76 ? 69 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 69 ? -22.486 -16.059 -15.356 1.00 23.91 ? 69 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 69 ? -23.828 -17.633 -13.960 1.00 23.76 ? 69 VAL A CG2 1 ATOM 535 N N . TYR A 1 70 ? -19.102 -18.714 -13.841 1.00 25.48 ? 70 TYR A N 1 ATOM 536 C CA . TYR A 1 70 ? -17.711 -18.428 -13.493 1.00 26.65 ? 70 TYR A CA 1 ATOM 537 C C . TYR A 1 70 ? -16.860 -18.267 -14.747 1.00 25.50 ? 70 TYR A C 1 ATOM 538 O O . TYR A 1 70 ? -16.947 -19.071 -15.665 1.00 23.91 ? 70 TYR A O 1 ATOM 539 C CB . TYR A 1 70 ? -17.090 -19.526 -12.628 1.00 28.97 ? 70 TYR A CB 1 ATOM 540 C CG . TYR A 1 70 ? -17.689 -19.722 -11.252 1.00 31.94 ? 70 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 70 ? -17.397 -20.868 -10.524 1.00 35.33 ? 70 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 70 ? -18.550 -18.788 -10.681 1.00 33.72 ? 70 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 70 ? -17.936 -21.078 -9.267 1.00 36.58 ? 70 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 70 ? -19.094 -18.987 -9.424 1.00 35.03 ? 70 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 70 ? -18.783 -20.135 -8.723 1.00 37.00 ? 70 TYR A CZ 1 ATOM 546 O OH . TYR A 1 70 ? -19.314 -20.353 -7.472 1.00 40.41 ? 70 TYR A OH 1 ATOM 547 N N . ILE A 1 71 ? -16.023 -17.237 -14.775 1.00 24.79 ? 71 ILE A N 1 ATOM 548 C CA . ILE A 1 71 ? -15.114 -17.017 -15.880 1.00 24.34 ? 71 ILE A CA 1 ATOM 549 C C . ILE A 1 71 ? -13.963 -17.987 -15.683 1.00 23.71 ? 71 ILE A C 1 ATOM 550 O O . ILE A 1 71 ? -13.377 -18.054 -14.601 1.00 23.00 ? 71 ILE A O 1 ATOM 551 C CB . ILE A 1 71 ? -14.630 -15.552 -15.940 1.00 24.82 ? 71 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 71 ? -15.792 -14.669 -16.422 1.00 25.26 ? 71 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 71 ? -13.426 -15.425 -16.863 1.00 24.54 ? 71 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 71 ? -15.556 -13.177 -16.331 1.00 25.80 ? 71 ILE A CD1 1 ATOM 555 N N . MET A 1 72 ? -13.671 -18.750 -16.729 1.00 23.73 ? 72 MET A N 1 ATOM 556 C CA . MET A 1 72 ? -12.615 -19.765 -16.703 1.00 24.24 ? 72 MET A CA 1 ATOM 557 C C . MET A 1 72 ? -11.290 -19.211 -17.241 1.00 23.22 ? 72 MET A C 1 ATOM 558 O O . MET A 1 72 ? -10.208 -19.547 -16.756 1.00 22.14 ? 72 MET A O 1 ATOM 559 C CB . MET A 1 72 ? -13.057 -20.977 -17.535 1.00 26.04 ? 72 MET A CB 1 ATOM 560 C CG . MET A 1 72 ? -14.186 -21.805 -16.915 1.00 27.06 ? 72 MET A CG 1 ATOM 561 S SD . MET A 1 72 ? -13.803 -22.480 -15.285 1.00 30.85 ? 72 MET A SD 1 ATOM 562 C CE . MET A 1 72 ? -14.422 -21.228 -14.161 1.00 30.43 ? 72 MET A CE 1 ATOM 563 N N . GLY A 1 73 ? -11.389 -18.352 -18.242 1.00 23.13 ? 73 GLY A N 1 ATOM 564 C CA . GLY A 1 73 ? -10.219 -17.827 -18.924 1.00 22.66 ? 73 GLY A CA 1 ATOM 565 C C . GLY A 1 73 ? -10.661 -16.997 -20.100 1.00 22.83 ? 73 GLY A C 1 ATOM 566 O O . GLY A 1 73 ? -11.859 -16.750 -20.275 1.00 23.10 ? 73 GLY A O 1 ATOM 567 N N . TYR A 1 74 ? -9.702 -16.566 -20.908 1.00 22.29 ? 74 TYR A N 1 ATOM 568 C CA . TYR A 1 74 ? -10.004 -15.730 -22.055 1.00 22.86 ? 74 TYR A CA 1 ATOM 569 C C . TYR A 1 74 ? -8.914 -15.854 -23.104 1.00 23.00 ? 74 TYR A C 1 ATOM 570 O O . TYR A 1 74 ? -7.805 -16.306 -22.823 1.00 23.45 ? 74 TYR A O 1 ATOM 571 C CB . TYR A 1 74 ? -10.172 -14.256 -21.644 1.00 22.50 ? 74 TYR A CB 1 ATOM 572 C CG . TYR A 1 74 ? -8.987 -13.719 -20.885 1.00 22.71 ? 74 TYR A CG 1 ATOM 573 C CD1 . TYR A 1 74 ? -8.872 -13.926 -19.521 1.00 22.72 ? 74 TYR A CD1 1 ATOM 574 C CD2 . TYR A 1 74 ? -7.964 -13.030 -21.537 1.00 22.76 ? 74 TYR A CD2 1 ATOM 575 C CE1 . TYR A 1 74 ? -7.781 -13.454 -18.813 1.00 22.66 ? 74 TYR A CE1 1 ATOM 576 C CE2 . TYR A 1 74 ? -6.863 -12.560 -20.840 1.00 22.56 ? 74 TYR A CE2 1 ATOM 577 C CZ . TYR A 1 74 ? -6.782 -12.772 -19.480 1.00 22.83 ? 74 TYR A CZ 1 ATOM 578 O OH . TYR A 1 74 ? -5.697 -12.312 -18.780 1.00 22.86 ? 74 TYR A OH 1 ATOM 579 N N . LEU A 1 75 ? -9.255 -15.435 -24.311 1.00 24.26 ? 75 LEU A N 1 ATOM 580 C CA . LEU A 1 75 ? -8.336 -15.423 -25.430 1.00 25.79 ? 75 LEU A CA 1 ATOM 581 C C . LEU A 1 75 ? -8.097 -13.988 -25.858 1.00 26.14 ? 75 LEU A C 1 ATOM 582 O O . LEU A 1 75 ? -9.050 -13.228 -26.076 1.00 24.78 ? 75 LEU A O 1 ATOM 583 C CB . LEU A 1 75 ? -8.940 -16.189 -26.599 1.00 26.94 ? 75 LEU A CB 1 ATOM 584 C CG . LEU A 1 75 ? -8.142 -16.220 -27.901 1.00 27.70 ? 75 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 75 ? -6.857 -17.010 -27.717 1.00 27.99 ? 75 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 75 ? -8.989 -16.831 -29.003 1.00 28.44 ? 75 LEU A CD2 1 ATOM 587 N N . ALA A 1 76 ? -6.824 -13.636 -25.993 1.00 26.65 ? 76 ALA A N 1 ATOM 588 C CA . ALA A 1 76 ? -6.417 -12.322 -26.469 1.00 28.66 ? 76 ALA A CA 1 ATOM 589 C C . ALA A 1 76 ? -5.386 -12.504 -27.579 1.00 30.49 ? 76 ALA A C 1 ATOM 590 O O . ALA A 1 76 ? -4.272 -12.958 -27.328 1.00 29.14 ? 76 ALA A O 1 ATOM 591 C CB . ALA A 1 76 ? -5.842 -11.510 -25.328 1.00 28.42 ? 76 ALA A CB 1 ATOM 592 N N . LEU A 1 77 ? -5.778 -12.147 -28.801 1.00 33.97 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -5.007 -12.432 -30.016 1.00 36.14 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -4.730 -13.941 -30.171 1.00 35.04 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -5.649 -14.699 -30.487 1.00 35.46 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -3.741 -11.557 -30.069 1.00 39.17 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -2.995 -11.337 -31.400 1.00 42.02 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -3.700 -11.895 -32.634 1.00 42.59 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -2.736 -9.847 -31.585 1.00 44.04 ? 77 LEU A CD2 1 ATOM 600 N N . THR A 1 78 ? -3.494 -14.385 -29.948 1.00 33.38 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -3.139 -15.795 -30.136 1.00 31.81 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -2.710 -16.435 -28.822 1.00 29.92 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -2.123 -17.522 -28.813 1.00 30.90 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -1.990 -15.946 -31.150 1.00 32.39 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -0.845 -15.217 -30.690 1.00 32.30 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -2.404 -15.431 -32.515 1.00 32.60 ? 78 THR A CG2 1 ATOM 607 N N . THR A 1 79 ? -2.997 -15.758 -27.715 1.00 26.91 ? 79 THR A N 1 ATOM 608 C CA . THR A 1 79 ? -2.642 -16.255 -26.402 1.00 25.13 ? 79 THR A CA 1 ATOM 609 C C . THR A 1 79 ? -3.891 -16.462 -25.570 1.00 24.38 ? 79 THR A C 1 ATOM 610 O O . THR A 1 79 ? -4.728 -15.560 -25.460 1.00 24.46 ? 79 THR A O 1 ATOM 611 C CB . THR A 1 79 ? -1.709 -15.282 -25.663 1.00 24.76 ? 79 THR A CB 1 ATOM 612 O OG1 . THR A 1 79 ? -0.532 -15.053 -26.445 1.00 24.52 ? 79 THR A OG1 1 ATOM 613 C CG2 . THR A 1 79 ? -1.287 -15.854 -24.324 1.00 24.77 ? 79 THR A CG2 1 ATOM 614 N N . SER A 1 80 ? -4.005 -17.651 -24.982 1.00 23.52 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? -5.064 -17.940 -24.025 1.00 22.86 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? -4.538 -17.802 -22.601 1.00 22.72 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? -3.359 -18.042 -22.325 1.00 22.87 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? -5.647 -19.338 -24.253 1.00 22.65 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? -4.677 -20.350 -24.053 1.00 21.81 ? 80 SER A OG 1 ATOM 620 N N . TYR A 1 81 ? -5.433 -17.400 -21.706 1.00 22.37 ? 81 TYR A N 1 ATOM 621 C CA . TYR A 1 81 ? -5.128 -17.210 -20.297 1.00 21.85 ? 81 TYR A CA 1 ATOM 622 C C . TYR A 1 81 ? -6.206 -17.915 -19.487 1.00 22.09 ? 81 TYR A C 1 ATOM 623 O O . TYR A 1 81 ? -7.384 -17.693 -19.725 1.00 20.81 ? 81 TYR A O 1 ATOM 624 C CB . TYR A 1 81 ? -5.142 -15.720 -19.967 1.00 22.47 ? 81 TYR A CB 1 ATOM 625 C CG . TYR A 1 81 ? -4.166 -14.907 -20.787 1.00 22.96 ? 81 TYR A CG 1 ATOM 626 C CD1 . TYR A 1 81 ? -4.514 -14.423 -22.043 1.00 23.44 ? 81 TYR A CD1 1 ATOM 627 C CD2 . TYR A 1 81 ? -2.892 -14.639 -20.314 1.00 23.61 ? 81 TYR A CD2 1 ATOM 628 C CE1 . TYR A 1 81 ? -3.620 -13.680 -22.798 1.00 23.92 ? 81 TYR A CE1 1 ATOM 629 C CE2 . TYR A 1 81 ? -1.991 -13.897 -21.062 1.00 24.20 ? 81 TYR A CE2 1 ATOM 630 C CZ . TYR A 1 81 ? -2.359 -13.421 -22.300 1.00 24.39 ? 81 TYR A CZ 1 ATOM 631 O OH . TYR A 1 81 ? -1.461 -12.691 -23.044 1.00 25.86 ? 81 TYR A OH 1 ATOM 632 N N . PHE A 1 82 ? -5.808 -18.747 -18.531 1.00 22.44 ? 82 PHE A N 1 ATOM 633 C CA . PHE A 1 82 ? -6.753 -19.440 -17.664 1.00 22.75 ? 82 PHE A CA 1 ATOM 634 C C . PHE A 1 82 ? -6.364 -19.235 -16.220 1.00 23.40 ? 82 PHE A C 1 ATOM 635 O O . PHE A 1 82 ? -5.182 -19.106 -15.900 1.00 23.69 ? 82 PHE A O 1 ATOM 636 C CB . PHE A 1 82 ? -6.771 -20.938 -17.972 1.00 22.88 ? 82 PHE A CB 1 ATOM 637 C CG . PHE A 1 82 ? -7.310 -21.265 -19.329 1.00 22.32 ? 82 PHE A CG 1 ATOM 638 C CD1 . PHE A 1 82 ? -8.662 -21.494 -19.512 1.00 22.70 ? 82 PHE A CD1 1 ATOM 639 C CD2 . PHE A 1 82 ? -6.466 -21.346 -20.424 1.00 22.00 ? 82 PHE A CD2 1 ATOM 640 C CE1 . PHE A 1 82 ? -9.165 -21.793 -20.769 1.00 22.39 ? 82 PHE A CE1 1 ATOM 641 C CE2 . PHE A 1 82 ? -6.958 -21.645 -21.681 1.00 22.01 ? 82 PHE A CE2 1 ATOM 642 C CZ . PHE A 1 82 ? -8.312 -21.865 -21.855 1.00 22.23 ? 82 PHE A CZ 1 ATOM 643 N N . PHE A 1 83 ? -7.365 -19.213 -15.348 1.00 23.92 ? 83 PHE A N 1 ATOM 644 C CA . PHE A 1 83 ? -7.119 -19.145 -13.919 1.00 24.34 ? 83 PHE A CA 1 ATOM 645 C C . PHE A 1 83 ? -6.385 -20.388 -13.456 1.00 25.24 ? 83 PHE A C 1 ATOM 646 O O . PHE A 1 83 ? -6.484 -21.450 -14.073 1.00 25.45 ? 83 PHE A O 1 ATOM 647 C CB . PHE A 1 83 ? -8.425 -19.006 -13.138 1.00 24.30 ? 83 PHE A CB 1 ATOM 648 C CG . PHE A 1 83 ? -9.024 -17.631 -13.205 1.00 24.28 ? 83 PHE A CG 1 ATOM 649 C CD1 . PHE A 1 83 ? -8.315 -16.533 -12.734 1.00 24.06 ? 83 PHE A CD1 1 ATOM 650 C CD2 . PHE A 1 83 ? -10.295 -17.432 -13.730 1.00 24.48 ? 83 PHE A CD2 1 ATOM 651 C CE1 . PHE A 1 83 ? -8.858 -15.264 -12.793 1.00 24.33 ? 83 PHE A CE1 1 ATOM 652 C CE2 . PHE A 1 83 ? -10.847 -16.162 -13.786 1.00 24.45 ? 83 PHE A CE2 1 ATOM 653 C CZ . PHE A 1 83 ? -10.126 -15.076 -13.315 1.00 24.57 ? 83 PHE A CZ 1 ATOM 654 N N . ASN A 1 84 ? -5.647 -20.241 -12.366 1.00 25.81 ? 84 ASN A N 1 ATOM 655 C CA . ASN A 1 84 ? -4.917 -21.351 -11.785 1.00 27.60 ? 84 ASN A CA 1 ATOM 656 C C . ASN A 1 84 ? -5.846 -22.098 -10.832 1.00 27.82 ? 84 ASN A C 1 ATOM 657 O O . ASN A 1 84 ? -5.779 -21.919 -9.622 1.00 27.93 ? 84 ASN A O 1 ATOM 658 C CB . ASN A 1 84 ? -3.673 -20.827 -11.061 1.00 27.67 ? 84 ASN A CB 1 ATOM 659 C CG . ASN A 1 84 ? -2.731 -21.930 -10.600 1.00 28.70 ? 84 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 84 ? -1.982 -21.740 -9.644 1.00 31.14 ? 84 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 84 ? -2.747 -23.069 -11.273 1.00 28.41 ? 84 ASN A ND2 1 ATOM 662 N N . GLU A 1 85 ? -6.736 -22.905 -11.404 1.00 29.68 ? 85 GLU A N 1 ATOM 663 C CA . GLU A 1 85 ? -7.718 -23.679 -10.637 1.00 30.23 ? 85 GLU A CA 1 ATOM 664 C C . GLU A 1 85 ? -8.165 -24.877 -11.497 1.00 29.95 ? 85 GLU A C 1 ATOM 665 O O . GLU A 1 85 ? -8.122 -24.800 -12.728 1.00 29.13 ? 85 GLU A O 1 ATOM 666 C CB . GLU A 1 85 ? -8.901 -22.789 -10.215 1.00 31.05 ? 85 GLU A CB 1 ATOM 667 C CG . GLU A 1 85 ? -9.804 -22.366 -11.369 1.00 32.30 ? 85 GLU A CG 1 ATOM 668 C CD . GLU A 1 85 ? -10.736 -21.201 -11.057 1.00 33.38 ? 85 GLU A CD 1 ATOM 669 O OE1 . GLU A 1 85 ? -10.512 -20.462 -10.077 1.00 32.07 ? 85 GLU A OE1 1 ATOM 670 O OE2 . GLU A 1 85 ? -11.708 -21.014 -11.823 1.00 36.52 ? 85 GLU A OE2 1 ATOM 671 N N . PRO A 1 86 ? -8.565 -25.998 -10.864 1.00 30.70 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 86 ? -8.862 -27.194 -11.678 1.00 30.53 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 86 ? -9.998 -27.039 -12.691 1.00 29.73 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 86 ? -9.911 -27.582 -13.791 1.00 31.26 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 86 ? -9.209 -28.261 -10.633 1.00 31.00 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 86 ? -8.526 -27.815 -9.391 1.00 31.23 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 86 ? -8.520 -26.311 -9.423 1.00 30.87 ? 86 PRO A CD 1 ATOM 678 N N . ALA A 1 87 ? -11.046 -26.308 -12.329 1.00 29.89 ? 87 ALA A N 1 ATOM 679 C CA . ALA A 1 87 ? -12.147 -26.038 -13.253 1.00 29.12 ? 87 ALA A CA 1 ATOM 680 C C . ALA A 1 87 ? -11.674 -25.335 -14.528 1.00 28.59 ? 87 ALA A C 1 ATOM 681 O O . ALA A 1 87 ? -12.164 -25.631 -15.612 1.00 28.04 ? 87 ALA A O 1 ATOM 682 C CB . ALA A 1 87 ? -13.225 -25.215 -12.567 1.00 29.41 ? 87 ALA A CB 1 ATOM 683 N N . ALA A 1 88 ? -10.723 -24.412 -14.398 1.00 28.12 ? 88 ALA A N 1 ATOM 684 C CA . ALA A 1 88 ? -10.194 -23.691 -15.559 1.00 28.51 ? 88 ALA A CA 1 ATOM 685 C C . ALA A 1 88 ? -9.264 -24.580 -16.365 1.00 29.34 ? 88 ALA A C 1 ATOM 686 O O . ALA A 1 88 ? -9.266 -24.537 -17.595 1.00 29.57 ? 88 ALA A O 1 ATOM 687 C CB . ALA A 1 88 ? -9.464 -22.429 -15.124 1.00 28.42 ? 88 ALA A CB 1 ATOM 688 N N . ASP A 1 89 ? -8.460 -25.373 -15.662 1.00 31.74 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? -7.571 -26.330 -16.307 1.00 33.93 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? -8.387 -27.276 -17.185 1.00 33.22 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? -8.018 -27.547 -18.329 1.00 31.73 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? -6.781 -27.124 -15.261 1.00 37.18 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? -5.710 -28.006 -15.884 1.00 41.29 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? -5.041 -27.558 -16.838 1.00 44.51 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? -5.538 -29.156 -15.422 1.00 45.91 ? 89 ASP A OD2 1 ATOM 696 N N . LEU A 1 90 ? -9.506 -27.758 -16.649 1.00 33.32 ? 90 LEU A N 1 ATOM 697 C CA . LEU A 1 90 ? -10.431 -28.584 -17.424 1.00 33.57 ? 90 LEU A CA 1 ATOM 698 C C . LEU A 1 90 ? -10.985 -27.811 -18.613 1.00 31.13 ? 90 LEU A C 1 ATOM 699 O O . LEU A 1 90 ? -10.981 -28.315 -19.733 1.00 30.49 ? 90 LEU A O 1 ATOM 700 C CB . LEU A 1 90 ? -11.587 -29.090 -16.556 1.00 36.33 ? 90 LEU A CB 1 ATOM 701 C CG . LEU A 1 90 ? -12.643 -29.930 -17.295 1.00 38.90 ? 90 LEU A CG 1 ATOM 702 C CD1 . LEU A 1 90 ? -12.081 -31.289 -17.680 1.00 40.16 ? 90 LEU A CD1 1 ATOM 703 C CD2 . LEU A 1 90 ? -13.900 -30.098 -16.460 1.00 39.99 ? 90 LEU A CD2 1 ATOM 704 N N . ALA A 1 91 ? -11.461 -26.589 -18.378 1.00 29.52 ? 91 ALA A N 1 ATOM 705 C CA . ALA A 1 91 ? -11.977 -25.765 -19.476 1.00 28.13 ? 91 ALA A CA 1 ATOM 706 C C . ALA A 1 91 ? -10.951 -25.618 -20.597 1.00 27.70 ? 91 ALA A C 1 ATOM 707 O O . ALA A 1 91 ? -11.317 -25.594 -21.776 1.00 26.30 ? 91 ALA A O 1 ATOM 708 C CB . ALA A 1 91 ? -12.417 -24.397 -18.975 1.00 28.38 ? 91 ALA A CB 1 ATOM 709 N N . SER A 1 92 ? -9.668 -25.552 -20.239 1.00 28.24 ? 92 SER A N 1 ATOM 710 C CA . SER A 1 92 ? -8.611 -25.384 -21.241 1.00 29.06 ? 92 SER A CA 1 ATOM 711 C C . SER A 1 92 ? -8.520 -26.558 -22.223 1.00 30.84 ? 92 SER A C 1 ATOM 712 O O . SER A 1 92 ? -7.876 -26.449 -23.266 1.00 28.88 ? 92 SER A O 1 ATOM 713 C CB . SER A 1 92 ? -7.250 -25.142 -20.576 1.00 29.21 ? 92 SER A CB 1 ATOM 714 O OG . SER A 1 92 ? -6.682 -26.335 -20.056 1.00 28.85 ? 92 SER A OG 1 ATOM 715 N N . GLN A 1 93 ? -9.182 -27.666 -21.898 1.00 33.74 ? 93 GLN A N 1 ATOM 716 C CA . GLN A 1 93 ? -9.237 -28.821 -22.786 1.00 36.16 ? 93 GLN A CA 1 ATOM 717 C C . GLN A 1 93 ? -10.227 -28.609 -23.922 1.00 36.24 ? 93 GLN A C 1 ATOM 718 O O . GLN A 1 93 ? -10.139 -29.278 -24.955 1.00 37.24 ? 93 GLN A O 1 ATOM 719 C CB . GLN A 1 93 ? -9.609 -30.073 -21.989 1.00 38.66 ? 93 GLN A CB 1 ATOM 720 C CG . GLN A 1 93 ? -8.680 -30.297 -20.806 1.00 41.46 ? 93 GLN A CG 1 ATOM 721 C CD . GLN A 1 93 ? -8.700 -31.715 -20.274 1.00 44.85 ? 93 GLN A CD 1 ATOM 722 O OE1 . GLN A 1 93 ? -8.619 -32.679 -21.036 1.00 48.11 ? 93 GLN A OE1 1 ATOM 723 N NE2 . GLN A 1 93 ? -8.782 -31.851 -18.955 1.00 46.18 ? 93 GLN A NE2 1 ATOM 724 N N . TYR A 1 94 ? -11.156 -27.671 -23.740 1.00 35.28 ? 94 TYR A N 1 ATOM 725 C CA . TYR A 1 94 ? -12.246 -27.473 -24.690 1.00 35.18 ? 94 TYR A CA 1 ATOM 726 C C . TYR A 1 94 ? -12.249 -26.147 -25.441 1.00 34.20 ? 94 TYR A C 1 ATOM 727 O O . TYR A 1 94 ? -12.721 -26.102 -26.576 1.00 33.09 ? 94 TYR A O 1 ATOM 728 C CB . TYR A 1 94 ? -13.579 -27.662 -23.973 1.00 36.34 ? 94 TYR A CB 1 ATOM 729 C CG . TYR A 1 94 ? -13.699 -29.040 -23.387 1.00 37.66 ? 94 TYR A CG 1 ATOM 730 C CD1 . TYR A 1 94 ? -14.157 -30.107 -24.155 1.00 39.06 ? 94 TYR A CD1 1 ATOM 731 C CD2 . TYR A 1 94 ? -13.312 -29.288 -22.080 1.00 38.05 ? 94 TYR A CD2 1 ATOM 732 C CE1 . TYR A 1 94 ? -14.244 -31.382 -23.624 1.00 39.21 ? 94 TYR A CE1 1 ATOM 733 C CE2 . TYR A 1 94 ? -13.395 -30.557 -21.539 1.00 39.43 ? 94 TYR A CE2 1 ATOM 734 C CZ . TYR A 1 94 ? -13.862 -31.599 -22.312 1.00 39.63 ? 94 TYR A CZ 1 ATOM 735 O OH . TYR A 1 94 ? -13.944 -32.854 -21.761 1.00 41.26 ? 94 TYR A OH 1 ATOM 736 N N . VAL A 1 95 ? -11.751 -25.070 -24.832 1.00 31.80 ? 95 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? -11.800 -23.756 -25.490 1.00 31.57 ? 95 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? -10.419 -23.175 -25.780 1.00 31.04 ? 95 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? -9.456 -23.442 -25.061 1.00 31.10 ? 95 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? -12.627 -22.718 -24.696 1.00 31.79 ? 95 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? -14.087 -23.139 -24.631 1.00 32.75 ? 95 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? -12.059 -22.491 -23.300 1.00 31.70 ? 95 VAL A CG2 1 ATOM 743 N N . PHE A 1 96 ? -10.351 -22.380 -26.846 1.00 30.66 ? 96 PHE A N 1 ATOM 744 C CA . PHE A 1 96 ? -9.136 -21.669 -27.257 1.00 31.29 ? 96 PHE A CA 1 ATOM 745 C C . PHE A 1 96 ? -7.974 -22.606 -27.576 1.00 34.45 ? 96 PHE A C 1 ATOM 746 O O . PHE A 1 96 ? -6.809 -22.232 -27.418 1.00 33.49 ? 96 PHE A O 1 ATOM 747 C CB . PHE A 1 96 ? -8.701 -20.653 -26.188 1.00 30.06 ? 96 PHE A CB 1 ATOM 748 C CG . PHE A 1 96 ? -9.826 -19.821 -25.633 1.00 28.44 ? 96 PHE A CG 1 ATOM 749 C CD1 . PHE A 1 96 ? -10.847 -19.351 -26.455 1.00 27.69 ? 96 PHE A CD1 1 ATOM 750 C CD2 . PHE A 1 96 ? -9.849 -19.486 -24.286 1.00 27.47 ? 96 PHE A CD2 1 ATOM 751 C CE1 . PHE A 1 96 ? -11.876 -18.585 -25.937 1.00 26.84 ? 96 PHE A CE1 1 ATOM 752 C CE2 . PHE A 1 96 ? -10.874 -18.717 -23.765 1.00 27.22 ? 96 PHE A CE2 1 ATOM 753 C CZ . PHE A 1 96 ? -11.889 -18.266 -24.591 1.00 26.93 ? 96 PHE A CZ 1 ATOM 754 N N . ARG A 1 97 ? -8.297 -23.810 -28.043 1.00 38.05 ? 97 ARG A N 1 ATOM 755 C CA . ARG A 1 97 ? -7.288 -24.824 -28.348 1.00 41.64 ? 97 ARG A CA 1 ATOM 756 C C . ARG A 1 97 ? -6.341 -24.371 -29.459 1.00 40.99 ? 97 ARG A C 1 ATOM 757 O O . ARG A 1 97 ? -5.167 -24.737 -29.462 1.00 40.43 ? 97 ARG A O 1 ATOM 758 C CB . ARG A 1 97 ? -7.965 -26.140 -28.737 1.00 44.57 ? 97 ARG A CB 1 ATOM 759 C CG . ARG A 1 97 ? -8.713 -26.812 -27.589 1.00 47.04 ? 97 ARG A CG 1 ATOM 760 C CD . ARG A 1 97 ? -7.752 -27.449 -26.599 1.00 49.77 ? 97 ARG A CD 1 ATOM 761 N NE . ARG A 1 97 ? -6.865 -28.383 -27.286 1.00 51.96 ? 97 ARG A NE 1 ATOM 762 C CZ . ARG A 1 97 ? -7.200 -29.612 -27.674 1.00 53.36 ? 97 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 97 ? -6.307 -30.359 -28.310 1.00 53.75 ? 97 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 97 ? -8.412 -30.107 -27.433 1.00 54.29 ? 97 ARG A NH2 1 ATOM 765 N N . SER A 1 98 ? -6.851 -23.559 -30.382 1.00 41.12 ? 98 SER A N 1 ATOM 766 C CA . SER A 1 98 ? -6.044 -23.040 -31.482 1.00 41.44 ? 98 SER A CA 1 ATOM 767 C C . SER A 1 98 ? -5.129 -21.864 -31.100 1.00 40.24 ? 98 SER A C 1 ATOM 768 O O . SER A 1 98 ? -4.431 -21.337 -31.962 1.00 40.24 ? 98 SER A O 1 ATOM 769 C CB . SER A 1 98 ? -6.944 -22.645 -32.656 1.00 42.82 ? 98 SER A CB 1 ATOM 770 O OG . SER A 1 98 ? -7.929 -21.712 -32.252 1.00 45.16 ? 98 SER A OG 1 ATOM 771 N N . ALA A 1 99 ? -5.120 -21.452 -29.830 1.00 39.06 ? 99 ALA A N 1 ATOM 772 C CA . ALA A 1 99 ? -4.178 -20.426 -29.375 1.00 38.07 ? 99 ALA A CA 1 ATOM 773 C C . ALA A 1 99 ? -2.739 -20.901 -29.556 1.00 38.27 ? 99 ALA A C 1 ATOM 774 O O . ALA A 1 99 ? -2.432 -22.069 -29.325 1.00 36.84 ? 99 ALA A O 1 ATOM 775 C CB . ALA A 1 99 ? -4.425 -20.067 -27.917 1.00 37.39 ? 99 ALA A CB 1 ATOM 776 N N . ARG A 1 100 ? -1.863 -19.991 -29.970 1.00 39.67 ? 100 ARG A N 1 ATOM 777 C CA . ARG A 1 100 ? -0.450 -20.317 -30.162 1.00 40.92 ? 100 ARG A CA 1 ATOM 778 C C . ARG A 1 100 ? 0.245 -20.662 -28.849 1.00 37.32 ? 100 ARG A C 1 ATOM 779 O O . ARG A 1 100 ? 1.131 -21.508 -28.825 1.00 36.71 ? 100 ARG A O 1 ATOM 780 C CB . ARG A 1 100 ? 0.289 -19.169 -30.844 1.00 44.97 ? 100 ARG A CB 1 ATOM 781 C CG . ARG A 1 100 ? 0.024 -19.043 -32.336 1.00 49.15 ? 100 ARG A CG 1 ATOM 782 C CD . ARG A 1 100 ? 1.136 -18.267 -33.028 1.00 53.65 ? 100 ARG A CD 1 ATOM 783 N NE . ARG A 1 100 ? 2.423 -18.961 -32.903 1.00 57.82 ? 100 ARG A NE 1 ATOM 784 C CZ . ARG A 1 100 ? 3.572 -18.418 -32.487 1.00 61.90 ? 100 ARG A CZ 1 ATOM 785 N NH1 . ARG A 1 100 ? 4.662 -19.178 -32.412 1.00 63.35 ? 100 ARG A NH1 1 ATOM 786 N NH2 . ARG A 1 100 ? 3.658 -17.129 -32.161 1.00 62.97 ? 100 ARG A NH2 1 ATOM 787 N N . ARG A 1 101 ? -0.143 -20.005 -27.761 1.00 34.71 ? 101 ARG A N 1 ATOM 788 C CA . ARG A 1 101 ? 0.351 -20.388 -26.441 1.00 32.42 ? 101 ARG A CA 1 ATOM 789 C C . ARG A 1 101 ? -0.719 -20.190 -25.392 1.00 29.74 ? 101 ARG A C 1 ATOM 790 O O . ARG A 1 101 ? -1.678 -19.445 -25.590 1.00 29.15 ? 101 ARG A O 1 ATOM 791 C CB . ARG A 1 101 ? 1.616 -19.609 -26.057 1.00 34.27 ? 101 ARG A CB 1 ATOM 792 C CG . ARG A 1 101 ? 1.442 -18.104 -26.103 1.00 35.03 ? 101 ARG A CG 1 ATOM 793 C CD . ARG A 1 101 ? 2.543 -17.319 -25.401 1.00 36.32 ? 101 ARG A CD 1 ATOM 794 N NE . ARG A 1 101 ? 2.120 -15.919 -25.340 1.00 37.52 ? 101 ARG A NE 1 ATOM 795 C CZ . ARG A 1 101 ? 2.783 -14.906 -24.780 1.00 38.90 ? 101 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 101 ? 3.970 -15.066 -24.197 1.00 38.92 ? 101 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 101 ? 2.235 -13.696 -24.817 1.00 39.54 ? 101 ARG A NH2 1 ATOM 798 N N . LYS A 1 102 ? -0.531 -20.874 -24.277 1.00 27.47 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? -1.460 -20.835 -23.179 1.00 27.54 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? -0.717 -20.413 -21.941 1.00 26.39 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 0.268 -21.050 -21.566 1.00 27.19 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? -2.052 -22.212 -22.928 1.00 28.08 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? -2.881 -22.242 -21.661 1.00 29.17 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? -3.666 -23.521 -21.523 1.00 30.56 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? -2.919 -24.552 -20.708 1.00 31.47 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? -3.812 -25.730 -20.574 1.00 32.76 ? 102 LYS A NZ 1 ATOM 807 N N . ILE A 1 103 ? -1.208 -19.361 -21.297 1.00 24.46 ? 103 ILE A N 1 ATOM 808 C CA . ILE A 1 103 ? -0.646 -18.892 -20.047 1.00 22.97 ? 103 ILE A CA 1 ATOM 809 C C . ILE A 1 103 ? -1.618 -19.194 -18.927 1.00 22.95 ? 103 ILE A C 1 ATOM 810 O O . ILE A 1 103 ? -2.812 -18.895 -19.017 1.00 23.75 ? 103 ILE A O 1 ATOM 811 C CB . ILE A 1 103 ? -0.327 -17.384 -20.110 1.00 22.78 ? 103 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 103 ? 0.898 -17.174 -21.013 1.00 23.22 ? 103 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 103 ? -0.114 -16.816 -18.704 1.00 22.55 ? 103 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 103 ? 1.224 -15.727 -21.335 1.00 24.01 ? 103 ILE A CD1 1 ATOM 815 N N . THR A 1 104 ? -1.111 -19.808 -17.871 1.00 22.22 ? 104 THR A N 1 ATOM 816 C CA . THR A 1 104 ? -1.902 -19.976 -16.671 1.00 23.08 ? 104 THR A CA 1 ATOM 817 C C . THR A 1 104 ? -1.607 -18.796 -15.757 1.00 23.33 ? 104 THR A C 1 ATOM 818 O O . THR A 1 104 ? -0.462 -18.576 -15.371 1.00 23.03 ? 104 THR A O 1 ATOM 819 C CB . THR A 1 104 ? -1.596 -21.307 -15.961 1.00 23.36 ? 104 THR A CB 1 ATOM 820 O OG1 . THR A 1 104 ? -1.802 -22.388 -16.876 1.00 23.55 ? 104 THR A OG1 1 ATOM 821 C CG2 . THR A 1 104 ? -2.505 -21.496 -14.777 1.00 23.93 ? 104 THR A CG2 1 ATOM 822 N N . LEU A 1 105 ? -2.649 -18.046 -15.414 1.00 22.99 ? 105 LEU A N 1 ATOM 823 C CA . LEU A 1 105 ? -2.507 -16.890 -14.531 1.00 24.27 ? 105 LEU A CA 1 ATOM 824 C C . LEU A 1 105 ? -2.032 -17.339 -13.161 1.00 24.93 ? 105 LEU A C 1 ATOM 825 O O . LEU A 1 105 ? -2.326 -18.454 -12.742 1.00 26.13 ? 105 LEU A O 1 ATOM 826 C CB . LEU A 1 105 ? -3.838 -16.146 -14.393 1.00 23.63 ? 105 LEU A CB 1 ATOM 827 C CG . LEU A 1 105 ? -4.374 -15.534 -15.687 1.00 23.83 ? 105 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 105 ? -5.827 -15.113 -15.540 1.00 23.60 ? 105 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 105 ? -3.519 -14.355 -16.124 1.00 24.05 ? 105 LEU A CD2 1 ATOM 830 N N . PRO A 1 106 ? -1.305 -16.469 -12.444 1.00 25.34 ? 106 PRO A N 1 ATOM 831 C CA . PRO A 1 106 ? -0.787 -16.874 -11.139 1.00 25.96 ? 106 PRO A CA 1 ATOM 832 C C . PRO A 1 106 ? -1.773 -16.638 -9.981 1.00 26.53 ? 106 PRO A C 1 ATOM 833 O O . PRO A 1 106 ? -1.369 -16.218 -8.894 1.00 27.09 ? 106 PRO A O 1 ATOM 834 C CB . PRO A 1 106 ? 0.468 -16.007 -10.997 1.00 25.71 ? 106 PRO A CB 1 ATOM 835 C CG . PRO A 1 106 ? 0.118 -14.751 -11.719 1.00 25.67 ? 106 PRO A CG 1 ATOM 836 C CD . PRO A 1 106 ? -0.802 -15.141 -12.845 1.00 25.54 ? 106 PRO A CD 1 ATOM 837 N N . TYR A 1 107 ? -3.057 -16.907 -10.221 1.00 25.38 ? 107 TYR A N 1 ATOM 838 C CA . TYR A 1 107 ? -4.079 -16.881 -9.178 1.00 25.01 ? 107 TYR A CA 1 ATOM 839 C C . TYR A 1 107 ? -5.309 -17.646 -9.667 1.00 25.32 ? 107 TYR A C 1 ATOM 840 O O . TYR A 1 107 ? -5.497 -17.837 -10.870 1.00 24.45 ? 107 TYR A O 1 ATOM 841 C CB . TYR A 1 107 ? -4.458 -15.438 -8.777 1.00 24.09 ? 107 TYR A CB 1 ATOM 842 C CG . TYR A 1 107 ? -4.379 -14.449 -9.916 1.00 23.62 ? 107 TYR A CG 1 ATOM 843 C CD1 . TYR A 1 107 ? -5.343 -14.434 -10.918 1.00 22.82 ? 107 TYR A CD1 1 ATOM 844 C CD2 . TYR A 1 107 ? -3.323 -13.545 -10.007 1.00 23.05 ? 107 TYR A CD2 1 ATOM 845 C CE1 . TYR A 1 107 ? -5.262 -13.542 -11.976 1.00 22.73 ? 107 TYR A CE1 1 ATOM 846 C CE2 . TYR A 1 107 ? -3.236 -12.643 -11.059 1.00 22.44 ? 107 TYR A CE2 1 ATOM 847 C CZ . TYR A 1 107 ? -4.203 -12.645 -12.041 1.00 22.05 ? 107 TYR A CZ 1 ATOM 848 O OH . TYR A 1 107 ? -4.111 -11.758 -13.092 1.00 21.19 ? 107 TYR A OH 1 ATOM 849 N N . SER A 1 108 ? -6.132 -18.094 -8.728 1.00 26.30 ? 108 SER A N 1 ATOM 850 C CA . SER A 1 108 ? -7.454 -18.625 -9.056 1.00 27.12 ? 108 SER A CA 1 ATOM 851 C C . SER A 1 108 ? -8.417 -17.463 -9.296 1.00 27.20 ? 108 SER A C 1 ATOM 852 O O . SER A 1 108 ? -8.042 -16.296 -9.157 1.00 26.87 ? 108 SER A O 1 ATOM 853 C CB . SER A 1 108 ? -7.973 -19.490 -7.915 1.00 27.99 ? 108 SER A CB 1 ATOM 854 O OG . SER A 1 108 ? -8.274 -18.684 -6.794 1.00 28.76 ? 108 SER A OG 1 ATOM 855 N N . GLY A 1 109 ? -9.663 -17.785 -9.633 1.00 27.26 ? 109 GLY A N 1 ATOM 856 C CA . GLY A 1 109 ? -10.642 -16.775 -10.016 1.00 27.88 ? 109 GLY A CA 1 ATOM 857 C C . GLY A 1 109 ? -11.498 -16.218 -8.900 1.00 29.02 ? 109 GLY A C 1 ATOM 858 O O . GLY A 1 109 ? -12.383 -15.404 -9.151 1.00 29.00 ? 109 GLY A O 1 ATOM 859 N N . ASN A 1 110 ? -11.262 -16.625 -7.663 1.00 30.73 ? 110 ASN A N 1 ATOM 860 C CA . ASN A 1 110 ? -12.124 -16.125 -6.608 1.00 32.46 ? 110 ASN A CA 1 ATOM 861 C C . ASN A 1 110 ? -11.720 -14.728 -6.161 1.00 31.71 ? 110 ASN A C 1 ATOM 862 O O . ASN A 1 110 ? -10.565 -14.298 -6.318 1.00 31.28 ? 110 ASN A O 1 ATOM 863 C CB . ASN A 1 110 ? -12.205 -17.078 -5.430 1.00 34.33 ? 110 ASN A CB 1 ATOM 864 C CG . ASN A 1 110 ? -10.916 -17.170 -4.678 1.00 35.76 ? 110 ASN A CG 1 ATOM 865 O OD1 . ASN A 1 110 ? -10.703 -16.464 -3.690 1.00 36.96 ? 110 ASN A OD1 1 ATOM 866 N ND2 . ASN A 1 110 ? -10.038 -18.040 -5.141 1.00 37.51 ? 110 ASN A ND2 1 ATOM 867 N N . TYR A 1 111 ? -12.697 -14.026 -5.605 1.00 30.37 ? 111 TYR A N 1 ATOM 868 C CA . TYR A 1 111 ? -12.553 -12.619 -5.300 1.00 29.65 ? 111 TYR A CA 1 ATOM 869 C C . TYR A 1 111 ? -11.395 -12.395 -4.337 1.00 30.74 ? 111 TYR A C 1 ATOM 870 O O . TYR A 1 111 ? -10.613 -11.470 -4.529 1.00 29.94 ? 111 TYR A O 1 ATOM 871 C CB . TYR A 1 111 ? -13.852 -12.050 -4.715 1.00 28.86 ? 111 TYR A CB 1 ATOM 872 C CG . TYR A 1 111 ? -14.924 -11.673 -5.735 1.00 28.73 ? 111 TYR A CG 1 ATOM 873 C CD1 . TYR A 1 111 ? -14.602 -11.008 -6.915 1.00 27.88 ? 111 TYR A CD1 1 ATOM 874 C CD2 . TYR A 1 111 ? -16.275 -11.934 -5.483 1.00 28.69 ? 111 TYR A CD2 1 ATOM 875 C CE1 . TYR A 1 111 ? -15.584 -10.647 -7.827 1.00 27.85 ? 111 TYR A CE1 1 ATOM 876 C CE2 . TYR A 1 111 ? -17.261 -11.580 -6.393 1.00 27.78 ? 111 TYR A CE2 1 ATOM 877 C CZ . TYR A 1 111 ? -16.912 -10.935 -7.560 1.00 27.08 ? 111 TYR A CZ 1 ATOM 878 O OH . TYR A 1 111 ? -17.886 -10.573 -8.457 1.00 25.80 ? 111 TYR A OH 1 ATOM 879 N N . GLU A 1 112 ? -11.266 -13.248 -3.325 1.00 32.99 ? 112 GLU A N 1 ATOM 880 C CA . GLU A 1 112 ? -10.192 -13.082 -2.340 1.00 36.41 ? 112 GLU A CA 1 ATOM 881 C C . GLU A 1 112 ? -8.809 -13.108 -2.992 1.00 34.77 ? 112 GLU A C 1 ATOM 882 O O . GLU A 1 112 ? -8.001 -12.208 -2.758 1.00 33.81 ? 112 GLU A O 1 ATOM 883 C CB . GLU A 1 112 ? -10.268 -14.133 -1.224 1.00 40.37 ? 112 GLU A CB 1 ATOM 884 C CG . GLU A 1 112 ? -11.523 -14.066 -0.360 1.00 44.23 ? 112 GLU A CG 1 ATOM 885 C CD . GLU A 1 112 ? -11.557 -12.875 0.589 1.00 47.70 ? 112 GLU A CD 1 ATOM 886 O OE1 . GLU A 1 112 ? -11.306 -11.731 0.151 1.00 51.25 ? 112 GLU A OE1 1 ATOM 887 O OE2 . GLU A 1 112 ? -11.862 -13.081 1.784 1.00 50.63 ? 112 GLU A OE2 1 ATOM 888 N N . ARG A 1 113 ? -8.547 -14.116 -3.821 1.00 33.90 ? 113 ARG A N 1 ATOM 889 C CA . ARG A 1 113 ? -7.249 -14.230 -4.496 1.00 33.77 ? 113 ARG A CA 1 ATOM 890 C C . ARG A 1 113 ? -6.991 -13.130 -5.516 1.00 31.41 ? 113 ARG A C 1 ATOM 891 O O . ARG A 1 113 ? -5.860 -12.664 -5.650 1.00 29.28 ? 113 ARG A O 1 ATOM 892 C CB . ARG A 1 113 ? -7.099 -15.595 -5.176 1.00 36.45 ? 113 ARG A CB 1 ATOM 893 C CG . ARG A 1 113 ? -7.019 -16.752 -4.201 1.00 40.27 ? 113 ARG A CG 1 ATOM 894 C CD . ARG A 1 113 ? -5.779 -16.646 -3.333 1.00 44.58 ? 113 ARG A CD 1 ATOM 895 N NE . ARG A 1 113 ? -5.761 -17.652 -2.279 1.00 49.92 ? 113 ARG A NE 1 ATOM 896 C CZ . ARG A 1 113 ? -4.779 -17.791 -1.390 1.00 53.23 ? 113 ARG A CZ 1 ATOM 897 N NH1 . ARG A 1 113 ? -4.861 -18.744 -0.470 1.00 54.41 ? 113 ARG A NH1 1 ATOM 898 N NH2 . ARG A 1 113 ? -3.718 -16.985 -1.416 1.00 54.17 ? 113 ARG A NH2 1 ATOM 899 N N . LEU A 1 114 ? -8.025 -12.733 -6.253 1.00 28.40 ? 114 LEU A N 1 ATOM 900 C CA . LEU A 1 114 ? -7.882 -11.649 -7.224 1.00 26.70 ? 114 LEU A CA 1 ATOM 901 C C . LEU A 1 114 ? -7.587 -10.315 -6.551 1.00 26.27 ? 114 LEU A C 1 ATOM 902 O O . LEU A 1 114 ? -6.816 -9.514 -7.076 1.00 26.41 ? 114 LEU A O 1 ATOM 903 C CB . LEU A 1 114 ? -9.141 -11.514 -8.083 1.00 25.60 ? 114 LEU A CB 1 ATOM 904 C CG . LEU A 1 114 ? -9.342 -12.583 -9.148 1.00 24.67 ? 114 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 114 ? -10.765 -12.517 -9.675 1.00 24.54 ? 114 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 114 ? -8.339 -12.413 -10.281 1.00 24.90 ? 114 LEU A CD2 1 ATOM 907 N N . GLN A 1 115 ? -8.214 -10.076 -5.402 1.00 26.69 ? 115 GLN A N 1 ATOM 908 C CA . GLN A 1 115 ? -8.019 -8.837 -4.649 1.00 26.59 ? 115 GLN A CA 1 ATOM 909 C C . GLN A 1 115 ? -6.597 -8.742 -4.085 1.00 27.15 ? 115 GLN A C 1 ATOM 910 O O . GLN A 1 115 ? -5.981 -7.673 -4.125 1.00 26.65 ? 115 GLN A O 1 ATOM 911 C CB . GLN A 1 115 ? -9.060 -8.731 -3.531 1.00 26.97 ? 115 GLN A CB 1 ATOM 912 C CG . GLN A 1 115 ? -10.460 -8.374 -4.035 1.00 27.13 ? 115 GLN A CG 1 ATOM 913 C CD . GLN A 1 115 ? -11.535 -8.328 -2.953 1.00 27.67 ? 115 GLN A CD 1 ATOM 914 O OE1 . GLN A 1 115 ? -12.653 -7.872 -3.206 1.00 27.87 ? 115 GLN A OE1 1 ATOM 915 N NE2 . GLN A 1 115 ? -11.211 -8.785 -1.752 1.00 28.49 ? 115 GLN A NE2 1 ATOM 916 N N . ILE A 1 116 ? -6.088 -9.868 -3.582 1.00 28.57 ? 116 ILE A N 1 ATOM 917 C CA . ILE A 1 116 ? -4.690 -9.983 -3.138 1.00 30.23 ? 116 ILE A CA 1 ATOM 918 C C . ILE A 1 116 ? -3.741 -9.655 -4.292 1.00 30.15 ? 116 ILE A C 1 ATOM 919 O O . ILE A 1 116 ? -2.862 -8.805 -4.158 1.00 29.59 ? 116 ILE A O 1 ATOM 920 C CB . ILE A 1 116 ? -4.380 -11.397 -2.568 1.00 31.23 ? 116 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 116 ? -5.103 -11.597 -1.227 1.00 32.68 ? 116 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 116 ? -2.878 -11.606 -2.376 1.00 31.52 ? 116 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 116 ? -4.936 -12.974 -0.603 1.00 33.12 ? 116 ILE A CD1 1 ATOM 924 N N . ALA A 1 117 ? -3.933 -10.331 -5.423 1.00 30.32 ? 117 ALA A N 1 ATOM 925 C CA . ALA A 1 117 ? -3.101 -10.118 -6.610 1.00 30.08 ? 117 ALA A CA 1 ATOM 926 C C . ALA A 1 117 ? -3.163 -8.679 -7.104 1.00 30.13 ? 117 ALA A C 1 ATOM 927 O O . ALA A 1 117 ? -2.152 -8.112 -7.519 1.00 29.64 ? 117 ALA A O 1 ATOM 928 C CB . ALA A 1 117 ? -3.515 -11.071 -7.723 1.00 30.01 ? 117 ALA A CB 1 ATOM 929 N N . ALA A 1 118 ? -4.352 -8.088 -7.050 1.00 29.86 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? -4.567 -6.742 -7.570 1.00 30.02 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? -4.045 -5.668 -6.621 1.00 31.28 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? -3.799 -4.529 -7.035 1.00 32.01 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? -6.043 -6.521 -7.848 1.00 29.51 ? 118 ALA A CB 1 ATOM 934 N N . GLY A 1 119 ? -3.885 -6.033 -5.352 1.00 32.34 ? 119 GLY A N 1 ATOM 935 C CA . GLY A 1 119 ? -3.401 -5.116 -4.332 1.00 33.32 ? 119 GLY A CA 1 ATOM 936 C C . GLY A 1 119 ? -4.500 -4.274 -3.715 1.00 34.66 ? 119 GLY A C 1 ATOM 937 O O . GLY A 1 119 ? -4.217 -3.302 -3.015 1.00 33.98 ? 119 GLY A O 1 ATOM 938 N N . LYS A 1 120 ? -5.758 -4.627 -3.965 1.00 35.31 ? 120 LYS A N 1 ATOM 939 C CA . LYS A 1 120 ? -6.851 -3.853 -3.402 1.00 35.77 ? 120 LYS A CA 1 ATOM 940 C C . LYS A 1 120 ? -8.185 -4.588 -3.429 1.00 33.94 ? 120 LYS A C 1 ATOM 941 O O . LYS A 1 120 ? -8.426 -5.412 -4.313 1.00 33.05 ? 120 LYS A O 1 ATOM 942 C CB . LYS A 1 120 ? -6.969 -2.511 -4.121 1.00 37.97 ? 120 LYS A CB 1 ATOM 943 C CG . LYS A 1 120 ? -7.216 -2.609 -5.615 1.00 40.30 ? 120 LYS A CG 1 ATOM 944 C CD . LYS A 1 120 ? -6.647 -1.404 -6.344 1.00 42.74 ? 120 LYS A CD 1 ATOM 945 C CE . LYS A 1 120 ? -7.111 -0.091 -5.734 1.00 45.09 ? 120 LYS A CE 1 ATOM 946 N NZ . LYS A 1 120 ? -6.588 1.067 -6.505 1.00 46.87 ? 120 LYS A NZ 1 ATOM 947 N N . PRO A 1 121 ? -9.048 -4.298 -2.439 1.00 32.62 ? 121 PRO A N 1 ATOM 948 C CA . PRO A 1 121 ? -10.376 -4.884 -2.414 1.00 32.20 ? 121 PRO A CA 1 ATOM 949 C C . PRO A 1 121 ? -11.220 -4.249 -3.488 1.00 31.76 ? 121 PRO A C 1 ATOM 950 O O . PRO A 1 121 ? -10.949 -3.119 -3.905 1.00 31.78 ? 121 PRO A O 1 ATOM 951 C CB . PRO A 1 121 ? -10.905 -4.495 -1.034 1.00 32.21 ? 121 PRO A CB 1 ATOM 952 C CG . PRO A 1 121 ? -10.210 -3.226 -0.720 1.00 32.43 ? 121 PRO A CG 1 ATOM 953 C CD . PRO A 1 121 ? -8.832 -3.399 -1.289 1.00 32.58 ? 121 PRO A CD 1 ATOM 954 N N . ARG A 1 122 ? -12.257 -4.937 -3.930 1.00 31.84 ? 122 ARG A N 1 ATOM 955 C CA . ARG A 1 122 ? -13.029 -4.373 -5.015 1.00 31.72 ? 122 ARG A CA 1 ATOM 956 C C . ARG A 1 122 ? -13.978 -3.256 -4.547 1.00 31.69 ? 122 ARG A C 1 ATOM 957 O O . ARG A 1 122 ? -14.541 -2.550 -5.376 1.00 31.15 ? 122 ARG A O 1 ATOM 958 C CB . ARG A 1 122 ? -13.709 -5.464 -5.828 1.00 32.34 ? 122 ARG A CB 1 ATOM 959 C CG . ARG A 1 122 ? -14.825 -6.176 -5.118 1.00 31.76 ? 122 ARG A CG 1 ATOM 960 C CD . ARG A 1 122 ? -14.936 -7.597 -5.625 1.00 31.37 ? 122 ARG A CD 1 ATOM 961 N NE . ARG A 1 122 ? -16.175 -8.178 -5.135 1.00 31.50 ? 122 ARG A NE 1 ATOM 962 C CZ . ARG A 1 122 ? -16.323 -8.848 -3.993 1.00 31.65 ? 122 ARG A CZ 1 ATOM 963 N NH1 . ARG A 1 122 ? -15.297 -9.080 -3.183 1.00 32.59 ? 122 ARG A NH1 1 ATOM 964 N NH2 . ARG A 1 122 ? -17.525 -9.306 -3.667 1.00 30.42 ? 122 ARG A NH2 1 ATOM 965 N N . GLU A 1 123 ? -14.103 -3.058 -3.232 1.00 32.58 ? 123 GLU A N 1 ATOM 966 C CA . GLU A 1 123 ? -14.703 -1.828 -2.685 1.00 34.07 ? 123 GLU A CA 1 ATOM 967 C C . GLU A 1 123 ? -14.036 -0.559 -3.226 1.00 32.70 ? 123 GLU A C 1 ATOM 968 O O . GLU A 1 123 ? -14.658 0.497 -3.286 1.00 32.30 ? 123 GLU A O 1 ATOM 969 C CB . GLU A 1 123 ? -14.590 -1.797 -1.156 1.00 36.00 ? 123 GLU A CB 1 ATOM 970 C CG . GLU A 1 123 ? -15.590 -2.679 -0.428 1.00 38.08 ? 123 GLU A CG 1 ATOM 971 C CD . GLU A 1 123 ? -15.181 -4.138 -0.348 1.00 38.84 ? 123 GLU A CD 1 ATOM 972 O OE1 . GLU A 1 123 ? -14.243 -4.555 -1.056 1.00 39.51 ? 123 GLU A OE1 1 ATOM 973 O OE2 . GLU A 1 123 ? -15.816 -4.879 0.427 1.00 41.91 ? 123 GLU A OE2 1 ATOM 974 N N . LYS A 1 124 ? -12.764 -0.675 -3.598 1.00 33.05 ? 124 LYS A N 1 ATOM 975 C CA . LYS A 1 124 ? -11.950 0.461 -4.023 1.00 34.06 ? 124 LYS A CA 1 ATOM 976 C C . LYS A 1 124 ? -11.730 0.541 -5.529 1.00 31.88 ? 124 LYS A C 1 ATOM 977 O O . LYS A 1 124 ? -11.028 1.440 -5.993 1.00 31.26 ? 124 LYS A O 1 ATOM 978 C CB . LYS A 1 124 ? -10.576 0.365 -3.365 1.00 36.85 ? 124 LYS A CB 1 ATOM 979 C CG . LYS A 1 124 ? -10.600 0.244 -1.850 1.00 40.26 ? 124 LYS A CG 1 ATOM 980 C CD . LYS A 1 124 ? -10.338 1.569 -1.153 1.00 43.04 ? 124 LYS A CD 1 ATOM 981 C CE . LYS A 1 124 ? -9.216 1.432 -0.132 1.00 46.09 ? 124 LYS A CE 1 ATOM 982 N NZ . LYS A 1 124 ? -9.625 0.699 1.100 1.00 47.62 ? 124 LYS A NZ 1 ATOM 983 N N . ILE A 1 125 ? -12.302 -0.394 -6.289 1.00 28.50 ? 125 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -12.093 -0.443 -7.734 1.00 26.74 ? 125 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -13.353 0.058 -8.434 1.00 26.01 ? 125 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -14.402 -0.590 -8.355 1.00 24.60 ? 125 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -11.759 -1.877 -8.215 1.00 26.32 ? 125 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -10.515 -2.408 -7.495 1.00 26.54 ? 125 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -11.525 -1.896 -9.720 1.00 25.69 ? 125 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -10.275 -3.896 -7.667 1.00 26.56 ? 125 ILE A CD1 1 ATOM 991 N N . PRO A 1 126 ? -13.262 1.223 -9.111 1.00 24.80 ? 126 PRO A N 1 ATOM 992 C CA . PRO A 1 126 ? -14.391 1.711 -9.900 1.00 24.12 ? 126 PRO A CA 1 ATOM 993 C C . PRO A 1 126 ? -14.818 0.731 -10.982 1.00 23.04 ? 126 PRO A C 1 ATOM 994 O O . PRO A 1 126 ? -13.972 0.111 -11.632 1.00 23.07 ? 126 PRO A O 1 ATOM 995 C CB . PRO A 1 126 ? -13.848 2.989 -10.549 1.00 24.17 ? 126 PRO A CB 1 ATOM 996 C CG . PRO A 1 126 ? -12.764 3.441 -9.640 1.00 24.56 ? 126 PRO A CG 1 ATOM 997 C CD . PRO A 1 126 ? -12.145 2.187 -9.104 1.00 24.78 ? 126 PRO A CD 1 ATOM 998 N N . ILE A 1 127 ? -16.127 0.590 -11.153 1.00 21.96 ? 127 ILE A N 1 ATOM 999 C CA . ILE A 1 127 ? -16.685 -0.224 -12.224 1.00 21.65 ? 127 ILE A CA 1 ATOM 1000 C C . ILE A 1 127 ? -17.651 0.634 -13.017 1.00 21.30 ? 127 ILE A C 1 ATOM 1001 O O . ILE A 1 127 ? -18.002 1.737 -12.594 1.00 21.58 ? 127 ILE A O 1 ATOM 1002 C CB . ILE A 1 127 ? -17.328 -1.529 -11.694 1.00 21.90 ? 127 ILE A CB 1 ATOM 1003 C CG1 . ILE A 1 127 ? -18.470 -1.248 -10.702 1.00 22.12 ? 127 ILE A CG1 1 ATOM 1004 C CG2 . ILE A 1 127 ? -16.248 -2.373 -11.040 1.00 21.90 ? 127 ILE A CG2 1 ATOM 1005 C CD1 . ILE A 1 127 ? -19.115 -2.501 -10.125 1.00 22.14 ? 127 ILE A CD1 1 ATOM 1006 N N . GLY A 1 128 ? -18.041 0.134 -14.183 1.00 21.34 ? 128 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -18.800 0.902 -15.156 1.00 21.55 ? 128 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -18.396 0.463 -16.544 1.00 21.65 ? 128 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -17.531 -0.409 -16.699 1.00 21.41 ? 128 GLY A O 1 ATOM 1010 N N . LEU A 1 129 ? -19.015 1.058 -17.558 1.00 21.64 ? 129 LEU A N 1 ATOM 1011 C CA . LEU A 1 129 ? -18.668 0.727 -18.932 1.00 21.96 ? 129 LEU A CA 1 ATOM 1012 C C . LEU A 1 129 ? -17.272 1.244 -19.314 1.00 21.88 ? 129 LEU A C 1 ATOM 1013 O O . LEU A 1 129 ? -16.537 0.545 -20.011 1.00 22.20 ? 129 LEU A O 1 ATOM 1014 C CB . LEU A 1 129 ? -19.748 1.190 -19.918 1.00 22.45 ? 129 LEU A CB 1 ATOM 1015 C CG . LEU A 1 129 ? -21.116 0.507 -19.753 1.00 22.66 ? 129 LEU A CG 1 ATOM 1016 C CD1 . LEU A 1 129 ? -22.050 0.912 -20.879 1.00 22.84 ? 129 LEU A CD1 1 ATOM 1017 C CD2 . LEU A 1 129 ? -20.993 -1.010 -19.699 1.00 22.66 ? 129 LEU A CD2 1 ATOM 1018 N N . PRO A 1 130 ? -16.896 2.453 -18.855 1.00 21.20 ? 130 PRO A N 1 ATOM 1019 C CA . PRO A 1 130 ? -15.512 2.859 -19.108 1.00 20.77 ? 130 PRO A CA 1 ATOM 1020 C C . PRO A 1 130 ? -14.488 1.923 -18.461 1.00 20.11 ? 130 PRO A C 1 ATOM 1021 O O . PRO A 1 130 ? -13.476 1.604 -19.084 1.00 20.15 ? 130 PRO A O 1 ATOM 1022 C CB . PRO A 1 130 ? -15.458 4.269 -18.513 1.00 21.09 ? 130 PRO A CB 1 ATOM 1023 C CG . PRO A 1 130 ? -16.856 4.772 -18.711 1.00 21.35 ? 130 PRO A CG 1 ATOM 1024 C CD . PRO A 1 130 ? -17.685 3.577 -18.320 1.00 21.30 ? 130 PRO A CD 1 ATOM 1025 N N . ALA A 1 131 ? -14.762 1.463 -17.243 1.00 20.06 ? 131 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? -13.863 0.530 -16.569 1.00 19.98 ? 131 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? -13.784 -0.788 -17.339 1.00 20.01 ? 131 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? -12.722 -1.398 -17.396 1.00 19.40 ? 131 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? -14.291 0.292 -15.127 1.00 20.10 ? 131 ALA A CB 1 ATOM 1030 N N . LEU A 1 132 ? -14.889 -1.211 -17.957 1.00 20.50 ? 132 LEU A N 1 ATOM 1031 C CA . LEU A 1 132 ? -14.886 -2.437 -18.767 1.00 21.08 ? 132 LEU A CA 1 ATOM 1032 C C . LEU A 1 132 ? -14.038 -2.286 -20.025 1.00 22.24 ? 132 LEU A C 1 ATOM 1033 O O . LEU A 1 132 ? -13.278 -3.187 -20.376 1.00 21.69 ? 132 LEU A O 1 ATOM 1034 C CB . LEU A 1 132 ? -16.306 -2.858 -19.149 1.00 21.19 ? 132 LEU A CB 1 ATOM 1035 C CG . LEU A 1 132 ? -16.455 -4.152 -19.974 1.00 21.42 ? 132 LEU A CG 1 ATOM 1036 C CD1 . LEU A 1 132 ? -15.681 -5.335 -19.403 1.00 21.25 ? 132 LEU A CD1 1 ATOM 1037 C CD2 . LEU A 1 132 ? -17.933 -4.503 -20.098 1.00 21.61 ? 132 LEU A CD2 1 ATOM 1038 N N . ASP A 1 133 ? -14.187 -1.155 -20.708 1.00 23.22 ? 133 ASP A N 1 ATOM 1039 C CA . ASP A 1 133 ? -13.331 -0.817 -21.846 1.00 24.77 ? 133 ASP A CA 1 ATOM 1040 C C . ASP A 1 133 ? -11.838 -0.903 -21.480 1.00 23.88 ? 133 ASP A C 1 ATOM 1041 O O . ASP A 1 133 ? -11.053 -1.512 -22.211 1.00 23.25 ? 133 ASP A O 1 ATOM 1042 C CB . ASP A 1 133 ? -13.700 0.582 -22.366 1.00 26.72 ? 133 ASP A CB 1 ATOM 1043 C CG . ASP A 1 133 ? -12.938 0.974 -23.618 1.00 28.39 ? 133 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 133 ? -12.772 0.135 -24.520 1.00 29.93 ? 133 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 133 ? -12.525 2.143 -23.712 1.00 31.23 ? 133 ASP A OD2 1 ATOM 1046 N N . THR A 1 134 ? -11.463 -0.313 -20.344 1.00 24.23 ? 134 THR A N 1 ATOM 1047 C CA . THR A 1 134 ? -10.091 -0.391 -19.820 1.00 25.66 ? 134 THR A CA 1 ATOM 1048 C C . THR A 1 134 ? -9.669 -1.828 -19.546 1.00 24.40 ? 134 THR A C 1 ATOM 1049 O O . THR A 1 134 ? -8.531 -2.214 -19.822 1.00 24.33 ? 134 THR A O 1 ATOM 1050 C CB . THR A 1 134 ? -9.963 0.380 -18.496 1.00 27.00 ? 134 THR A CB 1 ATOM 1051 O OG1 . THR A 1 134 ? -10.271 1.753 -18.720 1.00 30.50 ? 134 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 134 ? -8.573 0.289 -17.920 1.00 28.13 ? 134 THR A CG2 1 ATOM 1053 N N . ALA A 1 135 ? -10.587 -2.599 -18.967 1.00 23.17 ? 135 ALA A N 1 ATOM 1054 C CA . ALA A 1 135 ? -10.305 -3.973 -18.569 1.00 22.61 ? 135 ALA A CA 1 ATOM 1055 C C . ALA A 1 135 ? -9.940 -4.808 -19.781 1.00 22.35 ? 135 ALA A C 1 ATOM 1056 O O . ALA A 1 135 ? -8.948 -5.538 -19.764 1.00 21.65 ? 135 ALA A O 1 ATOM 1057 C CB . ALA A 1 135 ? -11.509 -4.577 -17.856 1.00 22.85 ? 135 ALA A CB 1 ATOM 1058 N N . ILE A 1 136 ? -10.754 -4.689 -20.828 1.00 22.08 ? 136 ILE A N 1 ATOM 1059 C CA . ILE A 1 136 ? -10.518 -5.383 -22.092 1.00 22.92 ? 136 ILE A CA 1 ATOM 1060 C C . ILE A 1 136 ? -9.139 -5.016 -22.630 1.00 24.02 ? 136 ILE A C 1 ATOM 1061 O O . ILE A 1 136 ? -8.363 -5.899 -23.014 1.00 24.38 ? 136 ILE A O 1 ATOM 1062 C CB . ILE A 1 136 ? -11.600 -5.035 -23.143 1.00 22.50 ? 136 ILE A CB 1 ATOM 1063 C CG1 . ILE A 1 136 ? -12.969 -5.565 -22.699 1.00 22.19 ? 136 ILE A CG1 1 ATOM 1064 C CG2 . ILE A 1 136 ? -11.248 -5.620 -24.507 1.00 22.82 ? 136 ILE A CG2 1 ATOM 1065 C CD1 . ILE A 1 136 ? -14.149 -4.967 -23.439 1.00 21.84 ? 136 ILE A CD1 1 ATOM 1066 N N . SER A 1 137 ? -8.835 -3.718 -22.641 1.00 24.50 ? 137 SER A N 1 ATOM 1067 C CA . SER A 1 137 ? -7.554 -3.229 -23.152 1.00 25.09 ? 137 SER A CA 1 ATOM 1068 C C . SER A 1 137 ? -6.382 -3.798 -22.364 1.00 24.99 ? 137 SER A C 1 ATOM 1069 O O . SER A 1 137 ? -5.397 -4.237 -22.949 1.00 25.60 ? 137 SER A O 1 ATOM 1070 C CB . SER A 1 137 ? -7.504 -1.699 -23.137 1.00 25.69 ? 137 SER A CB 1 ATOM 1071 O OG . SER A 1 137 ? -8.481 -1.173 -24.015 1.00 26.72 ? 137 SER A OG 1 ATOM 1072 N N . THR A 1 138 ? -6.505 -3.802 -21.043 1.00 24.57 ? 138 THR A N 1 ATOM 1073 C CA . THR A 1 138 ? -5.481 -4.369 -20.177 1.00 25.12 ? 138 THR A CA 1 ATOM 1074 C C . THR A 1 138 ? -5.246 -5.853 -20.452 1.00 25.31 ? 138 THR A C 1 ATOM 1075 O O . THR A 1 138 ? -4.100 -6.315 -20.478 1.00 24.56 ? 138 THR A O 1 ATOM 1076 C CB . THR A 1 138 ? -5.859 -4.212 -18.695 1.00 25.36 ? 138 THR A CB 1 ATOM 1077 O OG1 . THR A 1 138 ? -5.762 -2.833 -18.322 1.00 25.48 ? 138 THR A OG1 1 ATOM 1078 C CG2 . THR A 1 138 ? -4.933 -5.038 -17.802 1.00 25.67 ? 138 THR A CG2 1 ATOM 1079 N N . LEU A 1 139 ? -6.327 -6.605 -20.640 1.00 25.11 ? 139 LEU A N 1 ATOM 1080 C CA . LEU A 1 139 ? -6.205 -8.051 -20.811 1.00 25.32 ? 139 LEU A CA 1 ATOM 1081 C C . LEU A 1 139 ? -5.590 -8.418 -22.154 1.00 26.15 ? 139 LEU A C 1 ATOM 1082 O O . LEU A 1 139 ? -5.118 -9.541 -22.324 1.00 26.25 ? 139 LEU A O 1 ATOM 1083 C CB . LEU A 1 139 ? -7.556 -8.751 -20.626 1.00 24.61 ? 139 LEU A CB 1 ATOM 1084 C CG . LEU A 1 139 ? -8.137 -8.637 -19.213 1.00 23.88 ? 139 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 139 ? -9.539 -9.229 -19.170 1.00 24.07 ? 139 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 139 ? -7.257 -9.285 -18.153 1.00 23.89 ? 139 LEU A CD2 1 ATOM 1087 N N . LEU A 1 140 ? -5.577 -7.473 -23.095 1.00 27.59 ? 140 LEU A N 1 ATOM 1088 C CA . LEU A 1 140 ? -4.961 -7.697 -24.402 1.00 30.22 ? 140 LEU A CA 1 ATOM 1089 C C . LEU A 1 140 ? -3.459 -7.939 -24.310 1.00 32.34 ? 140 LEU A C 1 ATOM 1090 O O . LEU A 1 140 ? -2.903 -8.645 -25.155 1.00 34.05 ? 140 LEU A O 1 ATOM 1091 C CB . LEU A 1 140 ? -5.205 -6.517 -25.351 1.00 30.72 ? 140 LEU A CB 1 ATOM 1092 C CG . LEU A 1 140 ? -6.607 -6.332 -25.930 1.00 31.79 ? 140 LEU A CG 1 ATOM 1093 C CD1 . LEU A 1 140 ? -6.698 -4.998 -26.653 1.00 32.83 ? 140 LEU A CD1 1 ATOM 1094 C CD2 . LEU A 1 140 ? -6.961 -7.470 -26.869 1.00 32.47 ? 140 LEU A CD2 1 ATOM 1095 N N . HIS A 1 141 ? -2.807 -7.341 -23.312 1.00 34.32 ? 141 HIS A N 1 ATOM 1096 C CA . HIS A 1 141 ? -1.366 -7.519 -23.128 1.00 37.00 ? 141 HIS A CA 1 ATOM 1097 C C . HIS A 1 141 ? -1.003 -7.894 -21.712 1.00 34.70 ? 141 HIS A C 1 ATOM 1098 O O . HIS A 1 141 ? -1.214 -7.140 -20.760 1.00 35.12 ? 141 HIS A O 1 ATOM 1099 C CB . HIS A 1 141 ? -0.596 -6.291 -23.586 1.00 40.48 ? 141 HIS A CB 1 ATOM 1100 C CG . HIS A 1 141 ? -0.728 -6.048 -25.052 1.00 44.39 ? 141 HIS A CG 1 ATOM 1101 N ND1 . HIS A 1 141 ? -1.516 -5.045 -25.572 1.00 46.50 ? 141 HIS A ND1 1 ATOM 1102 C CD2 . HIS A 1 141 ? -0.235 -6.730 -26.112 1.00 46.28 ? 141 HIS A CD2 1 ATOM 1103 C CE1 . HIS A 1 141 ? -1.472 -5.096 -26.891 1.00 47.57 ? 141 HIS A CE1 1 ATOM 1104 N NE2 . HIS A 1 141 ? -0.702 -6.110 -27.244 1.00 47.82 ? 141 HIS A NE2 1 ATOM 1105 N N . TYR A 1 142 ? -0.415 -9.079 -21.613 1.00 31.95 ? 142 TYR A N 1 ATOM 1106 C CA . TYR A 1 142 ? -0.229 -9.750 -20.352 1.00 29.44 ? 142 TYR A CA 1 ATOM 1107 C C . TYR A 1 142 ? 0.497 -8.896 -19.325 1.00 28.56 ? 142 TYR A C 1 ATOM 1108 O O . TYR A 1 142 ? 1.594 -8.399 -19.566 1.00 27.57 ? 142 TYR A O 1 ATOM 1109 C CB . TYR A 1 142 ? 0.533 -11.056 -20.563 1.00 28.54 ? 142 TYR A CB 1 ATOM 1110 C CG . TYR A 1 142 ? 0.758 -11.803 -19.278 1.00 27.33 ? 142 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 142 ? -0.317 -12.226 -18.508 1.00 26.97 ? 142 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 142 ? 2.039 -12.064 -18.818 1.00 27.00 ? 142 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 142 ? -0.123 -12.903 -17.320 1.00 26.21 ? 142 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 142 ? 2.245 -12.738 -17.631 1.00 26.73 ? 142 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 142 ? 1.158 -13.163 -16.890 1.00 26.13 ? 142 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 142 ? 1.354 -13.836 -15.708 1.00 24.21 ? 142 TYR A OH 1 ATOM 1117 N N . ASP A 1 143 ? -0.149 -8.729 -18.183 1.00 27.68 ? 143 ASP A N 1 ATOM 1118 C CA . ASP A 1 143 ? 0.441 -8.104 -17.015 1.00 27.85 ? 143 ASP A CA 1 ATOM 1119 C C . ASP A 1 143 ? -0.404 -8.658 -15.873 1.00 26.46 ? 143 ASP A C 1 ATOM 1120 O O . ASP A 1 143 ? -1.554 -8.261 -15.722 1.00 24.73 ? 143 ASP A O 1 ATOM 1121 C CB . ASP A 1 143 ? 0.331 -6.581 -17.149 1.00 29.51 ? 143 ASP A CB 1 ATOM 1122 C CG . ASP A 1 143 ? 0.809 -5.824 -15.917 1.00 31.77 ? 143 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 143 ? 0.721 -6.336 -14.781 1.00 31.12 ? 143 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 143 ? 1.258 -4.670 -16.097 1.00 36.62 ? 143 ASP A OD2 1 ATOM 1125 N N . SER A 1 144 ? 0.132 -9.590 -15.090 1.00 26.10 ? 144 SER A N 1 ATOM 1126 C CA . SER A 1 144 ? -0.727 -10.348 -14.165 1.00 26.01 ? 144 SER A CA 1 ATOM 1127 C C . SER A 1 144 ? -1.296 -9.508 -13.022 1.00 25.70 ? 144 SER A C 1 ATOM 1128 O O . SER A 1 144 ? -2.433 -9.733 -12.599 1.00 24.18 ? 144 SER A O 1 ATOM 1129 C CB . SER A 1 144 ? -0.020 -11.585 -13.615 1.00 26.01 ? 144 SER A CB 1 ATOM 1130 O OG . SER A 1 144 ? 0.991 -11.240 -12.696 1.00 27.26 ? 144 SER A OG 1 ATOM 1131 N N . THR A 1 145 ? -0.524 -8.540 -12.529 1.00 25.40 ? 145 THR A N 1 ATOM 1132 C CA . THR A 1 145 ? -1.039 -7.608 -11.519 1.00 25.44 ? 145 THR A CA 1 ATOM 1133 C C . THR A 1 145 ? -2.162 -6.742 -12.074 1.00 23.95 ? 145 THR A C 1 ATOM 1134 O O . THR A 1 145 ? -3.210 -6.634 -11.449 1.00 24.84 ? 145 THR A O 1 ATOM 1135 C CB . THR A 1 145 ? 0.069 -6.711 -10.931 1.00 26.14 ? 145 THR A CB 1 ATOM 1136 O OG1 . THR A 1 145 ? 1.031 -7.539 -10.276 1.00 26.69 ? 145 THR A OG1 1 ATOM 1137 C CG2 . THR A 1 145 ? -0.498 -5.722 -9.909 1.00 26.32 ? 145 THR A CG2 1 ATOM 1138 N N . ALA A 1 146 ? -1.947 -6.126 -13.232 1.00 22.85 ? 146 ALA A N 1 ATOM 1139 C CA . ALA A 1 146 ? -2.983 -5.305 -13.863 1.00 22.32 ? 146 ALA A CA 1 ATOM 1140 C C . ALA A 1 146 ? -4.194 -6.163 -14.256 1.00 21.60 ? 146 ALA A C 1 ATOM 1141 O O . ALA A 1 146 ? -5.336 -5.733 -14.122 1.00 20.72 ? 146 ALA A O 1 ATOM 1142 C CB . ALA A 1 146 ? -2.430 -4.579 -15.082 1.00 22.40 ? 146 ALA A CB 1 ATOM 1143 N N . ALA A 1 147 ? -3.932 -7.380 -14.728 1.00 21.05 ? 147 ALA A N 1 ATOM 1144 C CA . ALA A 1 147 ? -4.995 -8.297 -15.129 1.00 20.56 ? 147 ALA A CA 1 ATOM 1145 C C . ALA A 1 147 ? -5.936 -8.671 -13.977 1.00 20.74 ? 147 ALA A C 1 ATOM 1146 O O . ALA A 1 147 ? -7.137 -8.827 -14.193 1.00 20.16 ? 147 ALA A O 1 ATOM 1147 C CB . ALA A 1 147 ? -4.408 -9.551 -15.751 1.00 20.18 ? 147 ALA A CB 1 ATOM 1148 N N . ALA A 1 148 ? -5.411 -8.825 -12.765 1.00 21.13 ? 148 ALA A N 1 ATOM 1149 C CA . ALA A 1 148 ? -6.269 -9.152 -11.621 1.00 21.36 ? 148 ALA A CA 1 ATOM 1150 C C . ALA A 1 148 ? -7.341 -8.082 -11.407 1.00 21.61 ? 148 ALA A C 1 ATOM 1151 O O . ALA A 1 148 ? -8.514 -8.401 -11.165 1.00 21.02 ? 148 ALA A O 1 ATOM 1152 C CB . ALA A 1 148 ? -5.446 -9.339 -10.357 1.00 21.55 ? 148 ALA A CB 1 ATOM 1153 N N . GLY A 1 149 ? -6.940 -6.816 -11.507 1.00 21.04 ? 149 GLY A N 1 ATOM 1154 C CA . GLY A 1 149 ? -7.865 -5.704 -11.339 1.00 20.53 ? 149 GLY A CA 1 ATOM 1155 C C . GLY A 1 149 ? -8.860 -5.669 -12.477 1.00 20.40 ? 149 GLY A C 1 ATOM 1156 O O . GLY A 1 149 ? -10.058 -5.459 -12.267 1.00 20.00 ? 149 GLY A O 1 ATOM 1157 N N . ALA A 1 150 ? -8.365 -5.904 -13.688 1.00 19.74 ? 150 ALA A N 1 ATOM 1158 C CA . ALA A 1 150 ? -9.222 -5.925 -14.862 1.00 19.52 ? 150 ALA A CA 1 ATOM 1159 C C . ALA A 1 150 ? -10.252 -7.064 -14.785 1.00 19.21 ? 150 ALA A C 1 ATOM 1160 O O . ALA A 1 150 ? -11.401 -6.897 -15.201 1.00 18.48 ? 150 ALA A O 1 ATOM 1161 C CB . ALA A 1 150 ? -8.385 -6.036 -16.119 1.00 19.43 ? 150 ALA A CB 1 ATOM 1162 N N . LEU A 1 151 ? -9.845 -8.206 -14.236 1.00 19.13 ? 151 LEU A N 1 ATOM 1163 C CA . LEU A 1 151 ? -10.741 -9.344 -14.093 1.00 19.85 ? 151 LEU A CA 1 ATOM 1164 C C . LEU A 1 151 ? -11.831 -9.096 -13.039 1.00 19.83 ? 151 LEU A C 1 ATOM 1165 O O . LEU A 1 151 ? -12.979 -9.503 -13.229 1.00 19.68 ? 151 LEU A O 1 ATOM 1166 C CB . LEU A 1 151 ? -9.948 -10.630 -13.814 1.00 19.74 ? 151 LEU A CB 1 ATOM 1167 C CG . LEU A 1 151 ? -9.151 -11.112 -15.036 1.00 19.97 ? 151 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 151 ? -8.053 -12.090 -14.638 1.00 20.17 ? 151 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 151 ? -10.071 -11.747 -16.067 1.00 20.05 ? 151 LEU A CD2 1 ATOM 1170 N N . LEU A 1 152 ? -11.488 -8.402 -11.954 1.00 19.83 ? 152 LEU A N 1 ATOM 1171 C CA . LEU A 1 152 ? -12.495 -7.970 -10.979 1.00 19.54 ? 152 LEU A CA 1 ATOM 1172 C C . LEU A 1 152 ? -13.556 -7.099 -11.619 1.00 19.43 ? 152 LEU A C 1 ATOM 1173 O O . LEU A 1 152 ? -14.744 -7.246 -11.323 1.00 19.08 ? 152 LEU A O 1 ATOM 1174 C CB . LEU A 1 152 ? -11.852 -7.228 -9.805 1.00 19.99 ? 152 LEU A CB 1 ATOM 1175 C CG . LEU A 1 152 ? -11.054 -8.155 -8.894 1.00 19.92 ? 152 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 152 ? -10.192 -7.374 -7.917 1.00 20.83 ? 152 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 152 ? -11.973 -9.091 -8.133 1.00 20.18 ? 152 LEU A CD2 1 ATOM 1178 N N . VAL A 1 153 ? -13.132 -6.207 -12.508 1.00 18.98 ? 153 VAL A N 1 ATOM 1179 C CA . VAL A 1 153 ? -14.068 -5.366 -13.240 1.00 19.10 ? 153 VAL A CA 1 ATOM 1180 C C . VAL A 1 153 ? -14.909 -6.204 -14.205 1.00 19.14 ? 153 VAL A C 1 ATOM 1181 O O . VAL A 1 153 ? -16.135 -6.031 -14.307 1.00 19.10 ? 153 VAL A O 1 ATOM 1182 C CB . VAL A 1 153 ? -13.332 -4.265 -14.031 1.00 19.20 ? 153 VAL A CB 1 ATOM 1183 C CG1 . VAL A 1 153 ? -14.304 -3.490 -14.906 1.00 19.26 ? 153 VAL A CG1 1 ATOM 1184 C CG2 . VAL A 1 153 ? -12.617 -3.316 -13.078 1.00 19.31 ? 153 VAL A CG2 1 ATOM 1185 N N . LEU A 1 154 ? -14.240 -7.095 -14.926 1.00 18.69 ? 154 LEU A N 1 ATOM 1186 C CA . LEU A 1 154 ? -14.895 -7.903 -15.940 1.00 19.65 ? 154 LEU A CA 1 ATOM 1187 C C . LEU A 1 154 ? -15.978 -8.793 -15.338 1.00 19.63 ? 154 LEU A C 1 ATOM 1188 O O . LEU A 1 154 ? -17.085 -8.874 -15.867 1.00 19.73 ? 154 LEU A O 1 ATOM 1189 C CB . LEU A 1 154 ? -13.866 -8.762 -16.670 1.00 20.52 ? 154 LEU A CB 1 ATOM 1190 C CG . LEU A 1 154 ? -14.442 -9.780 -17.655 1.00 21.53 ? 154 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 154 ? -15.036 -9.069 -18.854 1.00 21.93 ? 154 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 154 ? -13.365 -10.760 -18.089 1.00 22.66 ? 154 LEU A CD2 1 ATOM 1193 N N . ILE A 1 155 ? -15.639 -9.453 -14.236 1.00 19.87 ? 155 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? -16.542 -10.390 -13.567 1.00 20.45 ? 155 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? -17.805 -9.688 -13.081 1.00 20.70 ? 155 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? -18.920 -10.211 -13.228 1.00 20.51 ? 155 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? -15.834 -11.063 -12.380 1.00 21.06 ? 155 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -14.788 -12.049 -12.911 1.00 21.68 ? 155 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -16.839 -11.755 -11.461 1.00 21.32 ? 155 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -13.778 -12.502 -11.879 1.00 22.08 ? 155 ILE A CD1 1 ATOM 1201 N N . GLN A 1 156 ? -17.617 -8.505 -12.502 1.00 20.15 ? 156 GLN A N 1 ATOM 1202 C CA . GLN A 1 156 ? -18.731 -7.735 -11.966 1.00 20.30 ? 156 GLN A CA 1 ATOM 1203 C C . GLN A 1 156 ? -19.642 -7.147 -13.033 1.00 20.16 ? 156 GLN A C 1 ATOM 1204 O O . GLN A 1 156 ? -20.861 -7.109 -12.845 1.00 20.80 ? 156 GLN A O 1 ATOM 1205 C CB . GLN A 1 156 ? -18.216 -6.637 -11.048 1.00 20.61 ? 156 GLN A CB 1 ATOM 1206 C CG . GLN A 1 156 ? -17.534 -7.198 -9.818 1.00 20.46 ? 156 GLN A CG 1 ATOM 1207 C CD . GLN A 1 156 ? -17.055 -6.111 -8.897 1.00 21.12 ? 156 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 156 ? -15.933 -5.609 -9.035 1.00 21.91 ? 156 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 156 ? -17.892 -5.736 -7.950 1.00 20.27 ? 156 GLN A NE2 1 ATOM 1210 N N . THR A 1 157 ? -19.063 -6.690 -14.141 1.00 19.24 ? 157 THR A N 1 ATOM 1211 C CA . THR A 1 157 ? -19.842 -6.054 -15.200 1.00 19.71 ? 157 THR A CA 1 ATOM 1212 C C . THR A 1 157 ? -20.445 -7.058 -16.177 1.00 19.95 ? 157 THR A C 1 ATOM 1213 O O . THR A 1 157 ? -21.198 -6.667 -17.072 1.00 20.67 ? 157 THR A O 1 ATOM 1214 C CB . THR A 1 157 ? -19.009 -5.022 -15.995 1.00 19.44 ? 157 THR A CB 1 ATOM 1215 O OG1 . THR A 1 157 ? -17.850 -5.651 -16.551 1.00 19.48 ? 157 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 157 ? -18.582 -3.871 -15.097 1.00 19.47 ? 157 THR A CG2 1 ATOM 1217 N N . THR A 1 158 ? -20.105 -8.338 -16.027 1.00 20.29 ? 158 THR A N 1 ATOM 1218 C CA . THR A 1 158 ? -20.679 -9.382 -16.875 1.00 20.73 ? 158 THR A CA 1 ATOM 1219 C C . THR A 1 158 ? -21.462 -10.380 -16.015 1.00 20.69 ? 158 THR A C 1 ATOM 1220 O O . THR A 1 158 ? -22.683 -10.244 -15.889 1.00 20.74 ? 158 THR A O 1 ATOM 1221 C CB . THR A 1 158 ? -19.620 -10.068 -17.770 1.00 20.41 ? 158 THR A CB 1 ATOM 1222 O OG1 . THR A 1 158 ? -18.641 -10.741 -16.968 1.00 20.66 ? 158 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 158 ? -18.945 -9.042 -18.669 1.00 20.44 ? 158 THR A CG2 1 ATOM 1224 N N . ALA A 1 159 ? -20.770 -11.339 -15.401 1.00 20.76 ? 159 ALA A N 1 ATOM 1225 C CA . ALA A 1 159 ? -21.412 -12.376 -14.576 1.00 20.98 ? 159 ALA A CA 1 ATOM 1226 C C . ALA A 1 159 ? -22.329 -11.850 -13.470 1.00 21.34 ? 159 ALA A C 1 ATOM 1227 O O . ALA A 1 159 ? -23.471 -12.304 -13.346 1.00 21.04 ? 159 ALA A O 1 ATOM 1228 C CB . ALA A 1 159 ? -20.365 -13.293 -13.969 1.00 21.25 ? 159 ALA A CB 1 ATOM 1229 N N . GLU A 1 160 ? -21.840 -10.912 -12.662 1.00 20.55 ? 160 GLU A N 1 ATOM 1230 C CA . GLU A 1 160 ? -22.622 -10.424 -11.527 1.00 21.04 ? 160 GLU A CA 1 ATOM 1231 C C . GLU A 1 160 ? -23.862 -9.658 -12.004 1.00 20.59 ? 160 GLU A C 1 ATOM 1232 O O . GLU A 1 160 ? -24.929 -9.776 -11.399 1.00 20.18 ? 160 GLU A O 1 ATOM 1233 C CB . GLU A 1 160 ? -21.772 -9.577 -10.559 1.00 21.48 ? 160 GLU A CB 1 ATOM 1234 C CG . GLU A 1 160 ? -20.558 -10.293 -9.964 1.00 22.16 ? 160 GLU A CG 1 ATOM 1235 C CD . GLU A 1 160 ? -20.895 -11.421 -8.994 1.00 23.28 ? 160 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 160 ? -22.066 -11.865 -8.930 1.00 23.67 ? 160 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 160 ? -19.973 -11.867 -8.276 1.00 23.19 ? 160 GLU A OE2 1 ATOM 1238 N N . ALA A 1 161 ? -23.721 -8.908 -13.098 1.00 20.64 ? 161 ALA A N 1 ATOM 1239 C CA . ALA A 1 161 ? -24.858 -8.218 -13.723 1.00 20.95 ? 161 ALA A CA 1 ATOM 1240 C C . ALA A 1 161 ? -25.880 -9.201 -14.292 1.00 21.12 ? 161 ALA A C 1 ATOM 1241 O O . ALA A 1 161 ? -27.090 -8.968 -14.193 1.00 21.77 ? 161 ALA A O 1 ATOM 1242 C CB . ALA A 1 161 ? -24.386 -7.261 -14.807 1.00 20.88 ? 161 ALA A CB 1 ATOM 1243 N N . ALA A 1 162 ? -25.410 -10.297 -14.881 1.00 20.87 ? 162 ALA A N 1 ATOM 1244 C CA . ALA A 1 162 ? -26.330 -11.344 -15.333 1.00 20.84 ? 162 ALA A CA 1 ATOM 1245 C C . ALA A 1 162 ? -27.114 -11.939 -14.159 1.00 21.27 ? 162 ALA A C 1 ATOM 1246 O O . ALA A 1 162 ? -28.306 -12.218 -14.290 1.00 21.20 ? 162 ALA A O 1 ATOM 1247 C CB . ALA A 1 162 ? -25.593 -12.435 -16.082 1.00 20.39 ? 162 ALA A CB 1 ATOM 1248 N N . ARG A 1 163 ? -26.456 -12.112 -13.017 1.00 21.51 ? 163 ARG A N 1 ATOM 1249 C CA . ARG A 1 163 ? -27.078 -12.754 -11.856 1.00 22.73 ? 163 ARG A CA 1 ATOM 1250 C C . ARG A 1 163 ? -28.093 -11.886 -11.127 1.00 22.71 ? 163 ARG A C 1 ATOM 1251 O O . ARG A 1 163 ? -29.048 -12.412 -10.547 1.00 22.29 ? 163 ARG A O 1 ATOM 1252 C CB . ARG A 1 163 ? -26.012 -13.190 -10.853 1.00 23.44 ? 163 ARG A CB 1 ATOM 1253 C CG . ARG A 1 163 ? -25.145 -14.339 -11.332 1.00 24.26 ? 163 ARG A CG 1 ATOM 1254 C CD . ARG A 1 163 ? -23.921 -14.446 -10.448 1.00 25.73 ? 163 ARG A CD 1 ATOM 1255 N NE . ARG A 1 163 ? -23.008 -15.531 -10.807 1.00 26.46 ? 163 ARG A NE 1 ATOM 1256 C CZ . ARG A 1 163 ? -21.724 -15.559 -10.453 1.00 27.54 ? 163 ARG A CZ 1 ATOM 1257 N NH1 . ARG A 1 163 ? -21.208 -14.557 -9.746 1.00 28.20 ? 163 ARG A NH1 1 ATOM 1258 N NH2 . ARG A 1 163 ? -20.946 -16.575 -10.802 1.00 26.32 ? 163 ARG A NH2 1 ATOM 1259 N N . PHE A 1 164 ? -27.871 -10.572 -11.128 1.00 22.70 ? 164 PHE A N 1 ATOM 1260 C CA . PHE A 1 164 ? -28.711 -9.642 -10.379 1.00 23.46 ? 164 PHE A CA 1 ATOM 1261 C C . PHE A 1 164 ? -29.092 -8.432 -11.212 1.00 24.37 ? 164 PHE A C 1 ATOM 1262 O O . PHE A 1 164 ? -28.219 -7.711 -11.706 1.00 23.12 ? 164 PHE A O 1 ATOM 1263 C CB . PHE A 1 164 ? -27.975 -9.136 -9.146 1.00 24.02 ? 164 PHE A CB 1 ATOM 1264 C CG . PHE A 1 164 ? -27.661 -10.196 -8.145 1.00 24.53 ? 164 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 164 ? -28.626 -10.623 -7.244 1.00 24.92 ? 164 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 164 ? -26.393 -10.756 -8.086 1.00 25.46 ? 164 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 164 ? -28.332 -11.598 -6.306 1.00 25.44 ? 164 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 164 ? -26.092 -11.731 -7.150 1.00 25.50 ? 164 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 164 ? -27.064 -12.151 -6.257 1.00 25.76 ? 164 PHE A CZ 1 ATOM 1270 N N . LYS A 1 165 ? -30.393 -8.186 -11.332 1.00 25.38 ? 165 LYS A N 1 ATOM 1271 C CA . LYS A 1 165 ? -30.880 -7.005 -12.038 1.00 27.11 ? 165 LYS A CA 1 ATOM 1272 C C . LYS A 1 165 ? -30.372 -5.716 -11.389 1.00 25.67 ? 165 LYS A C 1 ATOM 1273 O O . LYS A 1 165 ? -30.080 -4.745 -12.086 1.00 24.48 ? 165 LYS A O 1 ATOM 1274 C CB . LYS A 1 165 ? -32.412 -6.987 -12.085 1.00 30.15 ? 165 LYS A CB 1 ATOM 1275 C CG . LYS A 1 165 ? -32.991 -5.956 -13.051 1.00 33.87 ? 165 LYS A CG 1 ATOM 1276 C CD . LYS A 1 165 ? -33.329 -6.558 -14.412 1.00 37.07 ? 165 LYS A CD 1 ATOM 1277 C CE . LYS A 1 165 ? -33.556 -5.475 -15.463 1.00 40.08 ? 165 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 165 ? -33.538 -6.001 -16.860 1.00 40.99 ? 165 LYS A NZ 1 ATOM 1279 N N . TYR A 1 166 ? -30.282 -5.699 -10.063 1.00 24.65 ? 166 TYR A N 1 ATOM 1280 C CA . TYR A 1 166 ? -29.770 -4.527 -9.359 1.00 25.00 ? 166 TYR A CA 1 ATOM 1281 C C . TYR A 1 166 ? -28.354 -4.162 -9.855 1.00 23.92 ? 166 TYR A C 1 ATOM 1282 O O . TYR A 1 166 ? -28.049 -2.986 -10.098 1.00 22.40 ? 166 TYR A O 1 ATOM 1283 C CB . TYR A 1 166 ? -29.788 -4.752 -7.843 1.00 26.63 ? 166 TYR A CB 1 ATOM 1284 C CG . TYR A 1 166 ? -29.116 -3.640 -7.071 1.00 28.60 ? 166 TYR A CG 1 ATOM 1285 C CD1 . TYR A 1 166 ? -29.799 -2.467 -6.755 1.00 29.66 ? 166 TYR A CD1 1 ATOM 1286 C CD2 . TYR A 1 166 ? -27.785 -3.750 -6.684 1.00 28.73 ? 166 TYR A CD2 1 ATOM 1287 C CE1 . TYR A 1 166 ? -29.174 -1.438 -6.065 1.00 30.48 ? 166 TYR A CE1 1 ATOM 1288 C CE2 . TYR A 1 166 ? -27.154 -2.732 -5.996 1.00 29.48 ? 166 TYR A CE2 1 ATOM 1289 C CZ . TYR A 1 166 ? -27.851 -1.576 -5.689 1.00 30.24 ? 166 TYR A CZ 1 ATOM 1290 O OH . TYR A 1 166 ? -27.224 -0.565 -4.998 1.00 30.92 ? 166 TYR A OH 1 ATOM 1291 N N . ILE A 1 167 ? -27.506 -5.171 -10.037 1.00 22.46 ? 167 ILE A N 1 ATOM 1292 C CA . ILE A 1 167 ? -26.128 -4.926 -10.462 1.00 22.29 ? 167 ILE A CA 1 ATOM 1293 C C . ILE A 1 167 ? -26.091 -4.452 -11.913 1.00 22.32 ? 167 ILE A C 1 ATOM 1294 O O . ILE A 1 167 ? -25.353 -3.521 -12.229 1.00 22.58 ? 167 ILE A O 1 ATOM 1295 C CB . ILE A 1 167 ? -25.215 -6.144 -10.188 1.00 21.79 ? 167 ILE A CB 1 ATOM 1296 C CG1 . ILE A 1 167 ? -25.123 -6.343 -8.674 1.00 21.93 ? 167 ILE A CG1 1 ATOM 1297 C CG2 . ILE A 1 167 ? -23.817 -5.933 -10.765 1.00 21.94 ? 167 ILE A CG2 1 ATOM 1298 C CD1 . ILE A 1 167 ? -24.371 -7.573 -8.217 1.00 21.98 ? 167 ILE A CD1 1 ATOM 1299 N N . GLU A 1 168 ? -26.911 -5.052 -12.777 1.00 22.56 ? 168 GLU A N 1 ATOM 1300 C CA . GLU A 1 168 ? -27.035 -4.595 -14.169 1.00 23.09 ? 168 GLU A CA 1 ATOM 1301 C C . GLU A 1 168 ? -27.385 -3.104 -14.218 1.00 24.04 ? 168 GLU A C 1 ATOM 1302 O O . GLU A 1 168 ? -26.824 -2.348 -15.018 1.00 23.32 ? 168 GLU A O 1 ATOM 1303 C CB . GLU A 1 168 ? -28.103 -5.405 -14.924 1.00 23.10 ? 168 GLU A CB 1 ATOM 1304 C CG . GLU A 1 168 ? -28.528 -4.814 -16.266 1.00 23.24 ? 168 GLU A CG 1 ATOM 1305 C CD . GLU A 1 168 ? -29.662 -5.570 -16.945 1.00 23.91 ? 168 GLU A CD 1 ATOM 1306 O OE1 . GLU A 1 168 ? -30.302 -6.430 -16.306 1.00 24.33 ? 168 GLU A OE1 1 ATOM 1307 O OE2 . GLU A 1 168 ? -29.923 -5.290 -18.132 1.00 24.64 ? 168 GLU A OE2 1 ATOM 1308 N N . GLN A 1 169 ? -28.321 -2.698 -13.364 1.00 24.97 ? 169 GLN A N 1 ATOM 1309 C CA . GLN A 1 169 ? -28.760 -1.304 -13.293 1.00 26.40 ? 169 GLN A CA 1 ATOM 1310 C C . GLN A 1 169 ? -27.663 -0.368 -12.787 1.00 25.26 ? 169 GLN A C 1 ATOM 1311 O O . GLN A 1 169 ? -27.490 0.724 -13.313 1.00 25.07 ? 169 GLN A O 1 ATOM 1312 C CB . GLN A 1 169 ? -30.008 -1.191 -12.420 1.00 28.82 ? 169 GLN A CB 1 ATOM 1313 C CG . GLN A 1 169 ? -31.230 -1.805 -13.088 1.00 31.43 ? 169 GLN A CG 1 ATOM 1314 C CD . GLN A 1 169 ? -32.398 -2.017 -12.142 1.00 34.63 ? 169 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 169 ? -32.237 -2.052 -10.919 1.00 37.88 ? 169 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 169 ? -33.585 -2.170 -12.709 1.00 36.32 ? 169 GLN A NE2 1 ATOM 1317 N N . GLN A 1 170 ? -26.927 -0.807 -11.774 1.00 24.35 ? 170 GLN A N 1 ATOM 1318 C CA . GLN A 1 170 ? -25.777 -0.057 -11.274 1.00 25.51 ? 170 GLN A CA 1 ATOM 1319 C C . GLN A 1 170 ? -24.756 0.220 -12.374 1.00 24.21 ? 170 GLN A C 1 ATOM 1320 O O . GLN A 1 170 ? -24.219 1.322 -12.454 1.00 24.24 ? 170 GLN A O 1 ATOM 1321 C CB . GLN A 1 170 ? -25.119 -0.801 -10.113 1.00 26.50 ? 170 GLN A CB 1 ATOM 1322 C CG . GLN A 1 170 ? -25.970 -0.808 -8.855 1.00 28.28 ? 170 GLN A CG 1 ATOM 1323 C CD . GLN A 1 170 ? -26.097 0.569 -8.231 1.00 30.44 ? 170 GLN A CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? -27.165 1.198 -8.276 1.00 32.46 ? 170 GLN A OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? -25.006 1.053 -7.654 1.00 30.51 ? 170 GLN A NE2 1 ATOM 1326 N N . ILE A 1 171 ? -24.508 -0.773 -13.225 1.00 23.19 ? 171 ILE A N 1 ATOM 1327 C CA . ILE A 1 171 ? -23.570 -0.619 -14.337 1.00 23.05 ? 171 ILE A CA 1 ATOM 1328 C C . ILE A 1 171 ? -24.159 0.313 -15.396 1.00 23.70 ? 171 ILE A C 1 ATOM 1329 O O . ILE A 1 171 ? -23.450 1.150 -15.959 1.00 23.10 ? 171 ILE A O 1 ATOM 1330 C CB . ILE A 1 171 ? -23.189 -1.982 -14.964 1.00 22.43 ? 171 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 171 ? -22.607 -2.943 -13.910 1.00 22.46 ? 171 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 171 ? -22.192 -1.802 -16.097 1.00 22.22 ? 171 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 171 ? -21.586 -2.340 -12.968 1.00 22.44 ? 171 ILE A CD1 1 ATOM 1334 N N . GLN A 1 172 ? -25.455 0.183 -15.660 1.00 24.58 ? 172 GLN A N 1 ATOM 1335 C CA . GLN A 1 172 ? -26.131 1.113 -16.563 1.00 25.49 ? 172 GLN A CA 1 ATOM 1336 C C . GLN A 1 172 ? -26.017 2.552 -16.071 1.00 26.49 ? 172 GLN A C 1 ATOM 1337 O O . GLN A 1 172 ? -25.840 3.465 -16.873 1.00 27.36 ? 172 GLN A O 1 ATOM 1338 C CB . GLN A 1 172 ? -27.600 0.736 -16.741 1.00 25.80 ? 172 GLN A CB 1 ATOM 1339 C CG . GLN A 1 172 ? -27.796 -0.519 -17.566 1.00 25.90 ? 172 GLN A CG 1 ATOM 1340 C CD . GLN A 1 172 ? -29.231 -1.015 -17.551 1.00 26.81 ? 172 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 172 ? -29.878 -1.062 -16.504 1.00 26.72 ? 172 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 172 ? -29.732 -1.393 -18.714 1.00 27.42 ? 172 GLN A NE2 1 ATOM 1343 N N . GLU A 1 173 ? -26.108 2.751 -14.759 1.00 27.25 ? 173 GLU A N 1 ATOM 1344 C CA . GLU A 1 173 ? -25.926 4.083 -14.181 1.00 28.53 ? 173 GLU A CA 1 ATOM 1345 C C . GLU A 1 173 ? -24.485 4.579 -14.368 1.00 27.25 ? 173 GLU A C 1 ATOM 1346 O O . GLU A 1 173 ? -24.230 5.782 -14.310 1.00 26.22 ? 173 GLU A O 1 ATOM 1347 C CB . GLU A 1 173 ? -26.285 4.085 -12.693 1.00 31.18 ? 173 GLU A CB 1 ATOM 1348 C CG . GLU A 1 173 ? -27.755 3.796 -12.412 1.00 33.47 ? 173 GLU A CG 1 ATOM 1349 C CD . GLU A 1 173 ? -28.091 3.758 -10.929 1.00 35.88 ? 173 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 173 ? -29.260 3.458 -10.599 1.00 38.11 ? 173 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 173 ? -27.199 4.026 -10.091 1.00 38.43 ? 173 GLU A OE2 1 ATOM 1352 N N . ARG A 1 174 ? -23.556 3.647 -14.586 1.00 25.18 ? 174 ARG A N 1 ATOM 1353 C CA . ARG A 1 174 ? -22.146 3.963 -14.772 1.00 24.37 ? 174 ARG A CA 1 ATOM 1354 C C . ARG A 1 174 ? -21.730 3.786 -16.224 1.00 23.60 ? 174 ARG A C 1 ATOM 1355 O O . ARG A 1 174 ? -20.603 3.369 -16.509 1.00 23.37 ? 174 ARG A O 1 ATOM 1356 C CB . ARG A 1 174 ? -21.292 3.052 -13.892 1.00 24.31 ? 174 ARG A CB 1 ATOM 1357 C CG . ARG A 1 174 ? -21.502 3.216 -12.399 1.00 25.10 ? 174 ARG A CG 1 ATOM 1358 C CD . ARG A 1 174 ? -21.119 1.936 -11.667 1.00 25.51 ? 174 ARG A CD 1 ATOM 1359 N NE . ARG A 1 174 ? -20.956 2.119 -10.231 1.00 26.21 ? 174 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 174 ? -21.946 2.366 -9.375 1.00 27.52 ? 174 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 174 ? -23.204 2.473 -9.791 1.00 27.62 ? 174 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 174 ? -21.675 2.514 -8.085 1.00 28.04 ? 174 ARG A NH2 1 ATOM 1363 N N . ALA A 1 175 ? -22.631 4.100 -17.149 1.00 23.00 ? 175 ALA A N 1 ATOM 1364 C CA . ALA A 1 175 ? -22.342 3.938 -18.570 1.00 23.01 ? 175 ALA A CA 1 ATOM 1365 C C . ALA A 1 175 ? -21.245 4.885 -19.052 1.00 23.12 ? 175 ALA A C 1 ATOM 1366 O O . ALA A 1 175 ? -20.521 4.552 -19.974 1.00 22.74 ? 175 ALA A O 1 ATOM 1367 C CB . ALA A 1 175 ? -23.600 4.149 -19.402 1.00 23.21 ? 175 ALA A CB 1 ATOM 1368 N N . TYR A 1 176 ? -21.143 6.068 -18.451 1.00 23.69 ? 176 TYR A N 1 ATOM 1369 C CA . TYR A 1 176 ? -20.217 7.102 -18.946 1.00 25.03 ? 176 TYR A CA 1 ATOM 1370 C C . TYR A 1 176 ? -19.326 7.693 -17.838 1.00 25.27 ? 176 TYR A C 1 ATOM 1371 O O . TYR A 1 176 ? -18.544 8.620 -18.084 1.00 25.45 ? 176 TYR A O 1 ATOM 1372 C CB . TYR A 1 176 ? -21.002 8.217 -19.665 1.00 25.61 ? 176 TYR A CB 1 ATOM 1373 C CG . TYR A 1 176 ? -22.082 7.739 -20.636 1.00 26.01 ? 176 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 176 ? -21.757 7.025 -21.786 1.00 26.60 ? 176 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 176 ? -23.427 8.024 -20.407 1.00 27.16 ? 176 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 176 ? -22.741 6.598 -22.671 1.00 27.32 ? 176 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 176 ? -24.414 7.601 -21.285 1.00 27.77 ? 176 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 176 ? -24.067 6.889 -22.413 1.00 27.68 ? 176 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 176 ? -25.050 6.477 -23.283 1.00 29.13 ? 176 TYR A OH 1 ATOM 1380 N N . ARG A 1 177 ? -19.450 7.141 -16.634 1.00 26.16 ? 177 ARG A N 1 ATOM 1381 C CA . ARG A 1 177 ? -18.652 7.519 -15.470 1.00 28.22 ? 177 ARG A CA 1 ATOM 1382 C C . ARG A 1 177 ? -18.536 6.310 -14.543 1.00 27.42 ? 177 ARG A C 1 ATOM 1383 O O . ARG A 1 177 ? -19.556 5.799 -14.068 1.00 26.60 ? 177 ARG A O 1 ATOM 1384 C CB . ARG A 1 177 ? -19.323 8.659 -14.701 1.00 30.49 ? 177 ARG A CB 1 ATOM 1385 C CG . ARG A 1 177 ? -18.541 9.120 -13.478 1.00 33.48 ? 177 ARG A CG 1 ATOM 1386 C CD . ARG A 1 177 ? -19.238 10.256 -12.752 1.00 35.90 ? 177 ARG A CD 1 ATOM 1387 N NE . ARG A 1 177 ? -20.491 9.829 -12.129 1.00 39.08 ? 177 ARG A NE 1 ATOM 1388 C CZ . ARG A 1 177 ? -21.386 10.655 -11.585 1.00 41.62 ? 177 ARG A CZ 1 ATOM 1389 N NH1 . ARG A 1 177 ? -21.185 11.967 -11.588 1.00 42.56 ? 177 ARG A NH1 1 ATOM 1390 N NH2 . ARG A 1 177 ? -22.494 10.169 -11.040 1.00 42.64 ? 177 ARG A NH2 1 ATOM 1391 N N . ASP A 1 178 ? -17.309 5.868 -14.271 1.00 25.74 ? 178 ASP A N 1 ATOM 1392 C CA . ASP A 1 178 ? -17.088 4.771 -13.333 1.00 25.38 ? 178 ASP A CA 1 ATOM 1393 C C . ASP A 1 178 ? -17.340 5.205 -11.903 1.00 25.97 ? 178 ASP A C 1 ATOM 1394 O O . ASP A 1 178 ? -17.190 6.378 -11.558 1.00 25.63 ? 178 ASP A O 1 ATOM 1395 C CB . ASP A 1 178 ? -15.652 4.233 -13.415 1.00 24.79 ? 178 ASP A CB 1 ATOM 1396 C CG . ASP A 1 178 ? -15.343 3.584 -14.740 1.00 23.93 ? 178 ASP A CG 1 ATOM 1397 O OD1 . ASP A 1 178 ? -16.260 3.008 -15.364 1.00 23.53 ? 178 ASP A OD1 1 ATOM 1398 O OD2 . ASP A 1 178 ? -14.168 3.626 -15.151 1.00 24.02 ? 178 ASP A OD2 1 ATOM 1399 N N . GLU A 1 179 ? -17.702 4.239 -11.068 1.00 25.93 ? 179 GLU A N 1 ATOM 1400 C CA . GLU A 1 179 ? -17.844 4.476 -9.646 1.00 26.58 ? 179 GLU A CA 1 ATOM 1401 C C . GLU A 1 179 ? -17.679 3.155 -8.928 1.00 26.07 ? 179 GLU A C 1 ATOM 1402 O O . GLU A 1 179 ? -18.098 2.112 -9.436 1.00 25.34 ? 179 GLU A O 1 ATOM 1403 C CB . GLU A 1 179 ? -19.212 5.100 -9.333 1.00 28.07 ? 179 GLU A CB 1 ATOM 1404 C CG . GLU A 1 179 ? -19.401 5.504 -7.875 1.00 29.57 ? 179 GLU A CG 1 ATOM 1405 C CD . GLU A 1 179 ? -20.777 6.081 -7.583 1.00 30.84 ? 179 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 179 ? -21.396 6.675 -8.492 1.00 32.87 ? 179 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 179 ? -21.244 5.942 -6.434 1.00 32.35 ? 179 GLU A OE2 1 ATOM 1408 N N . VAL A 1 180 ? -17.056 3.190 -7.757 1.00 25.77 ? 180 VAL A N 1 ATOM 1409 C CA . VAL A 1 180 ? -16.899 1.973 -6.974 1.00 26.52 ? 180 VAL A CA 1 ATOM 1410 C C . VAL A 1 180 ? -18.293 1.376 -6.716 1.00 26.35 ? 180 VAL A C 1 ATOM 1411 O O . VAL A 1 180 ? -19.279 2.114 -6.630 1.00 25.02 ? 180 VAL A O 1 ATOM 1412 C CB . VAL A 1 180 ? -16.147 2.205 -5.642 1.00 26.99 ? 180 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 180 ? -14.703 2.639 -5.897 1.00 27.24 ? 180 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 180 ? -16.873 3.216 -4.761 1.00 27.71 ? 180 VAL A CG2 1 ATOM 1415 N N . PRO A 1 181 ? -18.384 0.037 -6.621 1.00 27.01 ? 181 PRO A N 1 ATOM 1416 C CA . PRO A 1 181 ? -19.672 -0.625 -6.379 1.00 27.67 ? 181 PRO A CA 1 ATOM 1417 C C . PRO A 1 181 ? -20.314 -0.207 -5.062 1.00 28.18 ? 181 PRO A C 1 ATOM 1418 O O . PRO A 1 181 ? -19.607 0.015 -4.081 1.00 27.70 ? 181 PRO A O 1 ATOM 1419 C CB . PRO A 1 181 ? -19.305 -2.114 -6.303 1.00 27.69 ? 181 PRO A CB 1 ATOM 1420 C CG . PRO A 1 181 ? -17.834 -2.158 -6.093 1.00 27.96 ? 181 PRO A CG 1 ATOM 1421 C CD . PRO A 1 181 ? -17.283 -0.931 -6.744 1.00 27.32 ? 181 PRO A CD 1 ATOM 1422 N N . SER A 1 182 ? -21.642 -0.120 -5.034 1.00 29.10 ? 182 SER A N 1 ATOM 1423 C CA . SER A 1 182 ? -22.352 0.105 -3.778 1.00 30.04 ? 182 SER A CA 1 ATOM 1424 C C . SER A 1 182 ? -22.102 -1.072 -2.826 1.00 30.40 ? 182 SER A C 1 ATOM 1425 O O . SER A 1 182 ? -21.766 -2.181 -3.260 1.00 28.36 ? 182 SER A O 1 ATOM 1426 C CB . SER A 1 182 ? -23.854 0.309 -4.024 1.00 30.50 ? 182 SER A CB 1 ATOM 1427 O OG . SER A 1 182 ? -24.461 -0.823 -4.632 1.00 31.32 ? 182 SER A OG 1 ATOM 1428 N N . SER A 1 183 ? -22.234 -0.826 -1.526 1.00 31.46 ? 183 SER A N 1 ATOM 1429 C CA . SER A 1 183 ? -22.124 -1.902 -0.535 1.00 32.56 ? 183 SER A CA 1 ATOM 1430 C C . SER A 1 183 ? -23.156 -3.007 -0.800 1.00 31.15 ? 183 SER A C 1 ATOM 1431 O O . SER A 1 183 ? -22.884 -4.190 -0.590 1.00 30.30 ? 183 SER A O 1 ATOM 1432 C CB . SER A 1 183 ? -22.310 -1.354 0.881 1.00 35.07 ? 183 SER A CB 1 ATOM 1433 O OG . SER A 1 183 ? -21.319 -0.380 1.187 1.00 38.65 ? 183 SER A OG 1 ATOM 1434 N N . ALA A 1 184 ? -24.338 -2.610 -1.260 1.00 30.44 ? 184 ALA A N 1 ATOM 1435 C CA . ALA A 1 184 ? -25.384 -3.562 -1.622 1.00 30.19 ? 184 ALA A CA 1 ATOM 1436 C C . ALA A 1 184 ? -24.910 -4.477 -2.750 1.00 28.92 ? 184 ALA A C 1 ATOM 1437 O O . ALA A 1 184 ? -25.144 -5.686 -2.728 1.00 28.29 ? 184 ALA A O 1 ATOM 1438 C CB . ALA A 1 184 ? -26.641 -2.821 -2.044 1.00 30.30 ? 184 ALA A CB 1 ATOM 1439 N N . THR A 1 185 ? -24.250 -3.883 -3.739 1.00 27.36 ? 185 THR A N 1 ATOM 1440 C CA . THR A 1 185 ? -23.691 -4.640 -4.856 1.00 26.21 ? 185 THR A CA 1 ATOM 1441 C C . THR A 1 185 ? -22.728 -5.714 -4.359 1.00 26.43 ? 185 THR A C 1 ATOM 1442 O O . THR A 1 185 ? -22.823 -6.873 -4.760 1.00 25.70 ? 185 THR A O 1 ATOM 1443 C CB . THR A 1 185 ? -22.957 -3.720 -5.852 1.00 25.20 ? 185 THR A CB 1 ATOM 1444 O OG1 . THR A 1 185 ? -23.913 -2.968 -6.607 1.00 24.74 ? 185 THR A OG1 1 ATOM 1445 C CG2 . THR A 1 185 ? -22.101 -4.536 -6.807 1.00 24.22 ? 185 THR A CG2 1 ATOM 1446 N N . ILE A 1 186 ? -21.795 -5.314 -3.499 1.00 26.64 ? 186 ILE A N 1 ATOM 1447 C CA . ILE A 1 186 ? -20.829 -6.242 -2.903 1.00 27.02 ? 186 ILE A CA 1 ATOM 1448 C C . ILE A 1 186 ? -21.528 -7.367 -2.133 1.00 26.58 ? 186 ILE A C 1 ATOM 1449 O O . ILE A 1 186 ? -21.157 -8.542 -2.241 1.00 24.23 ? 186 ILE A O 1 ATOM 1450 C CB . ILE A 1 186 ? -19.876 -5.512 -1.925 1.00 27.91 ? 186 ILE A CB 1 ATOM 1451 C CG1 . ILE A 1 186 ? -19.023 -4.456 -2.650 1.00 28.69 ? 186 ILE A CG1 1 ATOM 1452 C CG2 . ILE A 1 186 ? -18.976 -6.504 -1.201 1.00 28.15 ? 186 ILE A CG2 1 ATOM 1453 C CD1 . ILE A 1 186 ? -18.137 -4.994 -3.750 1.00 29.10 ? 186 ILE A CD1 1 ATOM 1454 N N . SER A 1 187 ? -22.520 -6.982 -1.336 1.00 26.99 ? 187 SER A N 1 ATOM 1455 C CA . SER A 1 187 ? -23.304 -7.920 -0.531 1.00 27.38 ? 187 SER A CA 1 ATOM 1456 C C . SER A 1 187 ? -24.003 -8.979 -1.399 1.00 25.73 ? 187 SER A C 1 ATOM 1457 O O . SER A 1 187 ? -23.950 -10.174 -1.097 1.00 25.72 ? 187 SER A O 1 ATOM 1458 C CB . SER A 1 187 ? -24.317 -7.132 0.312 1.00 28.34 ? 187 SER A CB 1 ATOM 1459 O OG . SER A 1 187 ? -25.143 -7.983 1.084 1.00 30.13 ? 187 SER A OG 1 ATOM 1460 N N . LEU A 1 188 ? -24.629 -8.539 -2.486 1.00 25.15 ? 188 LEU A N 1 ATOM 1461 C CA . LEU A 1 188 ? -25.305 -9.453 -3.407 1.00 24.89 ? 188 LEU A CA 1 ATOM 1462 C C . LEU A 1 188 ? -24.329 -10.422 -4.045 1.00 24.51 ? 188 LEU A C 1 ATOM 1463 O O . LEU A 1 188 ? -24.604 -11.620 -4.120 1.00 24.23 ? 188 LEU A O 1 ATOM 1464 C CB . LEU A 1 188 ? -26.045 -8.683 -4.499 1.00 24.96 ? 188 LEU A CB 1 ATOM 1465 C CG . LEU A 1 188 ? -27.236 -7.874 -4.002 1.00 25.54 ? 188 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 188 ? -27.659 -6.889 -5.077 1.00 25.60 ? 188 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 188 ? -28.383 -8.791 -3.587 1.00 25.79 ? 188 LEU A CD2 1 ATOM 1468 N N . GLU A 1 189 ? -23.189 -9.904 -4.502 1.00 23.72 ? 189 GLU A N 1 ATOM 1469 C CA . GLU A 1 189 ? -22.140 -10.758 -5.065 1.00 23.19 ? 189 GLU A CA 1 ATOM 1470 C C . GLU A 1 189 ? -21.765 -11.838 -4.074 1.00 23.48 ? 189 GLU A C 1 ATOM 1471 O O . GLU A 1 189 ? -21.734 -13.026 -4.408 1.00 23.16 ? 189 GLU A O 1 ATOM 1472 C CB . GLU A 1 189 ? -20.890 -9.944 -5.404 1.00 23.29 ? 189 GLU A CB 1 ATOM 1473 C CG . GLU A 1 189 ? -21.107 -8.944 -6.521 1.00 23.28 ? 189 GLU A CG 1 ATOM 1474 C CD . GLU A 1 189 ? -19.940 -7.994 -6.703 1.00 23.82 ? 189 GLU A CD 1 ATOM 1475 O OE1 . GLU A 1 189 ? -18.979 -8.048 -5.905 1.00 24.27 ? 189 GLU A OE1 1 ATOM 1476 O OE2 . GLU A 1 189 ? -20.003 -7.187 -7.651 1.00 23.42 ? 189 GLU A OE2 1 ATOM 1477 N N . ASN A 1 190 ? -21.503 -11.418 -2.841 1.00 24.77 ? 190 ASN A N 1 ATOM 1478 C CA . ASN A 1 190 ? -21.086 -12.335 -1.788 1.00 26.49 ? 190 ASN A CA 1 ATOM 1479 C C . ASN A 1 190 ? -22.163 -13.349 -1.374 1.00 27.56 ? 190 ASN A C 1 ATOM 1480 O O . ASN A 1 190 ? -21.831 -14.399 -0.826 1.00 28.42 ? 190 ASN A O 1 ATOM 1481 C CB . ASN A 1 190 ? -20.625 -11.556 -0.552 1.00 26.75 ? 190 ASN A CB 1 ATOM 1482 C CG . ASN A 1 190 ? -19.315 -10.820 -0.770 1.00 27.28 ? 190 ASN A CG 1 ATOM 1483 O OD1 . ASN A 1 190 ? -18.558 -11.125 -1.690 1.00 27.77 ? 190 ASN A OD1 1 ATOM 1484 N ND2 . ASN A 1 190 ? -19.042 -9.841 0.085 1.00 27.17 ? 190 ASN A ND2 1 ATOM 1485 N N . SER A 1 191 ? -23.431 -13.039 -1.646 1.00 28.06 ? 191 SER A N 1 ATOM 1486 C CA . SER A 1 191 ? -24.565 -13.856 -1.194 1.00 28.70 ? 191 SER A CA 1 ATOM 1487 C C . SER A 1 191 ? -25.230 -14.718 -2.273 1.00 27.84 ? 191 SER A C 1 ATOM 1488 O O . SER A 1 191 ? -26.239 -15.383 -1.996 1.00 27.24 ? 191 SER A O 1 ATOM 1489 C CB . SER A 1 191 ? -25.631 -12.943 -0.590 1.00 29.44 ? 191 SER A CB 1 ATOM 1490 O OG . SER A 1 191 ? -25.069 -12.106 0.406 1.00 30.72 ? 191 SER A OG 1 ATOM 1491 N N . TRP A 1 192 ? -24.687 -14.719 -3.487 1.00 26.07 ? 192 TRP A N 1 ATOM 1492 C CA . TRP A 1 192 ? -25.356 -15.389 -4.600 1.00 25.86 ? 192 TRP A CA 1 ATOM 1493 C C . TRP A 1 192 ? -25.559 -16.875 -4.336 1.00 26.65 ? 192 TRP A C 1 ATOM 1494 O O . TRP A 1 192 ? -26.630 -17.421 -4.619 1.00 25.31 ? 192 TRP A O 1 ATOM 1495 C CB . TRP A 1 192 ? -24.592 -15.205 -5.907 1.00 25.13 ? 192 TRP A CB 1 ATOM 1496 C CG . TRP A 1 192 ? -25.296 -15.810 -7.097 1.00 23.96 ? 192 TRP A CG 1 ATOM 1497 C CD1 . TRP A 1 192 ? -26.543 -15.498 -7.560 1.00 23.49 ? 192 TRP A CD1 1 ATOM 1498 C CD2 . TRP A 1 192 ? -24.784 -16.818 -7.977 1.00 23.47 ? 192 TRP A CD2 1 ATOM 1499 N NE1 . TRP A 1 192 ? -26.838 -16.249 -8.674 1.00 22.98 ? 192 TRP A NE1 1 ATOM 1500 C CE2 . TRP A 1 192 ? -25.775 -17.067 -8.951 1.00 23.24 ? 192 TRP A CE2 1 ATOM 1501 C CE3 . TRP A 1 192 ? -23.582 -17.534 -8.038 1.00 23.63 ? 192 TRP A CE3 1 ATOM 1502 C CZ2 . TRP A 1 192 ? -25.602 -18.000 -9.972 1.00 23.19 ? 192 TRP A CZ2 1 ATOM 1503 C CZ3 . TRP A 1 192 ? -23.411 -18.462 -9.055 1.00 23.44 ? 192 TRP A CZ3 1 ATOM 1504 C CH2 . TRP A 1 192 ? -24.414 -18.684 -10.008 1.00 23.46 ? 192 TRP A CH2 1 ATOM 1505 N N . SER A 1 193 ? -24.526 -17.517 -3.803 1.00 26.96 ? 193 SER A N 1 ATOM 1506 C CA . SER A 1 193 ? -24.571 -18.939 -3.498 1.00 28.65 ? 193 SER A CA 1 ATOM 1507 C C . SER A 1 193 ? -25.582 -19.221 -2.386 1.00 28.76 ? 193 SER A C 1 ATOM 1508 O O . SER A 1 193 ? -26.415 -20.119 -2.510 1.00 28.57 ? 193 SER A O 1 ATOM 1509 C CB . SER A 1 193 ? -23.185 -19.430 -3.078 1.00 29.51 ? 193 SER A CB 1 ATOM 1510 O OG . SER A 1 193 ? -23.152 -20.842 -3.014 1.00 31.65 ? 193 SER A OG 1 ATOM 1511 N N . GLY A 1 194 ? -25.492 -18.447 -1.307 1.00 28.73 ? 194 GLY A N 1 ATOM 1512 C CA . GLY A 1 194 ? -26.436 -18.530 -0.193 1.00 29.58 ? 194 GLY A CA 1 ATOM 1513 C C . GLY A 1 194 ? -27.889 -18.353 -0.605 1.00 29.29 ? 194 GLY A C 1 ATOM 1514 O O . GLY A 1 194 ? -28.748 -19.148 -0.216 1.00 28.41 ? 194 GLY A O 1 ATOM 1515 N N . LEU A 1 195 ? -28.162 -17.311 -1.391 1.00 28.40 ? 195 LEU A N 1 ATOM 1516 C CA . LEU A 1 195 ? -29.521 -17.025 -1.866 1.00 28.34 ? 195 LEU A CA 1 ATOM 1517 C C . LEU A 1 195 ? -30.042 -18.107 -2.798 1.00 28.08 ? 195 LEU A C 1 ATOM 1518 O O . LEU A 1 195 ? -31.205 -18.516 -2.707 1.00 27.09 ? 195 LEU A O 1 ATOM 1519 C CB . LEU A 1 195 ? -29.571 -15.692 -2.620 1.00 29.15 ? 195 LEU A CB 1 ATOM 1520 C CG . LEU A 1 195 ? -29.580 -14.398 -1.813 1.00 30.64 ? 195 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 195 ? -29.281 -13.220 -2.735 1.00 31.34 ? 195 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 195 ? -30.910 -14.201 -1.094 1.00 30.95 ? 195 LEU A CD2 1 ATOM 1523 N N . SER A 1 196 ? -29.185 -18.534 -3.721 1.00 26.76 ? 196 SER A N 1 ATOM 1524 C CA . SER A 1 196 ? -29.524 -19.596 -4.651 1.00 27.11 ? 196 SER A CA 1 ATOM 1525 C C . SER A 1 196 ? -29.951 -20.835 -3.866 1.00 28.84 ? 196 SER A C 1 ATOM 1526 O O . SER A 1 196 ? -30.981 -21.449 -4.160 1.00 28.67 ? 196 SER A O 1 ATOM 1527 C CB . SER A 1 196 ? -28.329 -19.913 -5.562 1.00 26.60 ? 196 SER A CB 1 ATOM 1528 O OG . SER A 1 196 ? -28.122 -18.880 -6.518 1.00 25.04 ? 196 SER A OG 1 ATOM 1529 N N . LYS A 1 197 ? -29.174 -21.170 -2.842 1.00 29.78 ? 197 LYS A N 1 ATOM 1530 C CA . LYS A 1 197 ? -29.476 -22.315 -1.995 1.00 31.45 ? 197 LYS A CA 1 ATOM 1531 C C . LYS A 1 197 ? -30.791 -22.147 -1.227 1.00 30.87 ? 197 LYS A C 1 ATOM 1532 O O . LYS A 1 197 ? -31.644 -23.029 -1.266 1.00 30.04 ? 197 LYS A O 1 ATOM 1533 C CB . LYS A 1 197 ? -28.335 -22.560 -1.013 1.00 34.03 ? 197 LYS A CB 1 ATOM 1534 C CG . LYS A 1 197 ? -28.488 -23.844 -0.214 1.00 36.45 ? 197 LYS A CG 1 ATOM 1535 C CD . LYS A 1 197 ? -27.496 -23.911 0.932 1.00 38.31 ? 197 LYS A CD 1 ATOM 1536 C CE . LYS A 1 197 ? -27.318 -25.340 1.414 1.00 40.56 ? 197 LYS A CE 1 ATOM 1537 N NZ . LYS A 1 197 ? -26.114 -25.492 2.276 1.00 42.40 ? 197 LYS A NZ 1 ATOM 1538 N N . GLN A 1 198 ? -30.949 -21.023 -0.535 1.00 30.49 ? 198 GLN A N 1 ATOM 1539 C CA . GLN A 1 198 ? -32.132 -20.800 0.295 1.00 31.35 ? 198 GLN A CA 1 ATOM 1540 C C . GLN A 1 198 ? -33.427 -20.705 -0.514 1.00 30.70 ? 198 GLN A C 1 ATOM 1541 O O . GLN A 1 198 ? -34.492 -21.089 -0.025 1.00 32.11 ? 198 GLN A O 1 ATOM 1542 C CB . GLN A 1 198 ? -31.959 -19.556 1.175 1.00 32.10 ? 198 GLN A CB 1 ATOM 1543 C CG . GLN A 1 198 ? -30.904 -19.706 2.257 1.00 32.61 ? 198 GLN A CG 1 ATOM 1544 C CD . GLN A 1 198 ? -31.119 -20.947 3.102 1.00 34.01 ? 198 GLN A CD 1 ATOM 1545 O OE1 . GLN A 1 198 ? -32.250 -21.256 3.492 1.00 34.15 ? 198 GLN A OE1 1 ATOM 1546 N NE2 . GLN A 1 198 ? -30.041 -21.679 3.374 1.00 34.68 ? 198 GLN A NE2 1 ATOM 1547 N N . ILE A 1 199 ? -33.337 -20.207 -1.745 1.00 29.35 ? 199 ILE A N 1 ATOM 1548 C CA . ILE A 1 199 ? -34.495 -20.142 -2.632 1.00 28.49 ? 199 ILE A CA 1 ATOM 1549 C C . ILE A 1 199 ? -34.908 -21.553 -3.053 1.00 29.18 ? 199 ILE A C 1 ATOM 1550 O O . ILE A 1 199 ? -36.098 -21.863 -3.127 1.00 28.87 ? 199 ILE A O 1 ATOM 1551 C CB . ILE A 1 199 ? -34.219 -19.257 -3.869 1.00 27.54 ? 199 ILE A CB 1 ATOM 1552 C CG1 . ILE A 1 199 ? -34.131 -17.787 -3.453 1.00 27.06 ? 199 ILE A CG1 1 ATOM 1553 C CG2 . ILE A 1 199 ? -35.317 -19.408 -4.913 1.00 27.32 ? 199 ILE A CG2 1 ATOM 1554 C CD1 . ILE A 1 199 ? -33.538 -16.880 -4.515 1.00 26.60 ? 199 ILE A CD1 1 ATOM 1555 N N . GLN A 1 200 ? -33.925 -22.407 -3.321 1.00 29.18 ? 200 GLN A N 1 ATOM 1556 C CA . GLN A 1 200 ? -34.211 -23.807 -3.615 1.00 30.00 ? 200 GLN A CA 1 ATOM 1557 C C . GLN A 1 200 ? -34.771 -24.558 -2.398 1.00 30.79 ? 200 GLN A C 1 ATOM 1558 O O . GLN A 1 200 ? -35.711 -25.336 -2.548 1.00 30.69 ? 200 GLN A O 1 ATOM 1559 C CB . GLN A 1 200 ? -32.974 -24.510 -4.177 1.00 30.10 ? 200 GLN A CB 1 ATOM 1560 C CG . GLN A 1 200 ? -32.779 -24.265 -5.663 1.00 29.83 ? 200 GLN A CG 1 ATOM 1561 C CD . GLN A 1 200 ? -31.345 -24.474 -6.098 1.00 30.00 ? 200 GLN A CD 1 ATOM 1562 O OE1 . GLN A 1 200 ? -30.966 -25.564 -6.513 1.00 29.85 ? 200 GLN A OE1 1 ATOM 1563 N NE2 . GLN A 1 200 ? -30.532 -23.430 -5.982 1.00 29.95 ? 200 GLN A NE2 1 ATOM 1564 N N . LEU A 1 201 ? -34.226 -24.309 -1.207 1.00 31.52 ? 201 LEU A N 1 ATOM 1565 C CA . LEU A 1 201 ? -34.703 -24.978 0.017 1.00 33.69 ? 201 LEU A CA 1 ATOM 1566 C C . LEU A 1 201 ? -36.121 -24.552 0.394 1.00 33.86 ? 201 LEU A C 1 ATOM 1567 O O . LEU A 1 201 ? -36.855 -25.303 1.038 1.00 33.63 ? 201 LEU A O 1 ATOM 1568 C CB . LEU A 1 201 ? -33.765 -24.711 1.204 1.00 34.50 ? 201 LEU A CB 1 ATOM 1569 C CG . LEU A 1 201 ? -32.326 -25.227 1.099 1.00 35.69 ? 201 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 201 ? -31.560 -24.996 2.391 1.00 36.42 ? 201 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 201 ? -32.289 -26.701 0.741 1.00 36.68 ? 201 LEU A CD2 1 ATOM 1572 N N . ALA A 1 202 ? -36.495 -23.343 -0.007 1.00 33.95 ? 202 ALA A N 1 ATOM 1573 C CA . ALA A 1 202 ? -37.828 -22.816 0.251 1.00 35.13 ? 202 ALA A CA 1 ATOM 1574 C C . ALA A 1 202 ? -38.925 -23.574 -0.511 1.00 36.53 ? 202 ALA A C 1 ATOM 1575 O O . ALA A 1 202 ? -40.094 -23.508 -0.128 1.00 36.37 ? 202 ALA A O 1 ATOM 1576 C CB . ALA A 1 202 ? -37.873 -21.337 -0.094 1.00 34.80 ? 202 ALA A CB 1 ATOM 1577 N N . GLN A 1 203 ? -38.553 -24.284 -1.579 1.00 38.13 ? 203 GLN A N 1 ATOM 1578 C CA . GLN A 1 203 ? -39.520 -25.033 -2.394 1.00 39.91 ? 203 GLN A CA 1 ATOM 1579 C C . GLN A 1 203 ? -40.375 -26.001 -1.580 1.00 40.39 ? 203 GLN A C 1 ATOM 1580 O O . GLN A 1 203 ? -41.580 -26.091 -1.801 1.00 43.64 ? 203 GLN A O 1 ATOM 1581 C CB . GLN A 1 203 ? -38.826 -25.823 -3.503 1.00 42.14 ? 203 GLN A CB 1 ATOM 1582 C CG . GLN A 1 203 ? -38.580 -25.051 -4.783 1.00 43.97 ? 203 GLN A CG 1 ATOM 1583 C CD . GLN A 1 203 ? -37.899 -25.909 -5.833 1.00 45.56 ? 203 GLN A CD 1 ATOM 1584 O OE1 . GLN A 1 203 ? -38.493 -26.238 -6.863 1.00 46.73 ? 203 GLN A OE1 1 ATOM 1585 N NE2 . GLN A 1 203 ? -36.652 -26.296 -5.567 1.00 45.42 ? 203 GLN A NE2 1 ATOM 1586 N N . GLY A 1 204 ? -39.752 -26.732 -0.661 1.00 38.20 ? 204 GLY A N 1 ATOM 1587 C CA . GLY A 1 204 ? -40.485 -27.656 0.212 1.00 36.52 ? 204 GLY A CA 1 ATOM 1588 C C . GLY A 1 204 ? -40.680 -27.118 1.616 1.00 34.06 ? 204 GLY A C 1 ATOM 1589 O O . GLY A 1 204 ? -40.903 -27.883 2.553 1.00 33.14 ? 204 GLY A O 1 ATOM 1590 N N . ASN A 1 205 ? -40.599 -25.799 1.760 1.00 31.67 ? 205 ASN A N 1 ATOM 1591 C CA . ASN A 1 205 ? -40.680 -25.159 3.062 1.00 31.22 ? 205 ASN A CA 1 ATOM 1592 C C . ASN A 1 205 ? -41.598 -23.939 2.987 1.00 29.56 ? 205 ASN A C 1 ATOM 1593 O O . ASN A 1 205 ? -41.399 -22.948 3.689 1.00 29.10 ? 205 ASN A O 1 ATOM 1594 C CB . ASN A 1 205 ? -39.260 -24.798 3.532 1.00 32.10 ? 205 ASN A CB 1 ATOM 1595 C CG . ASN A 1 205 ? -39.183 -24.402 5.002 1.00 33.02 ? 205 ASN A CG 1 ATOM 1596 O OD1 . ASN A 1 205 ? -38.491 -23.449 5.353 1.00 34.51 ? 205 ASN A OD1 1 ATOM 1597 N ND2 . ASN A 1 205 ? -39.864 -25.138 5.866 1.00 33.80 ? 205 ASN A ND2 1 ATOM 1598 N N . ASN A 1 206 ? -42.617 -24.040 2.131 1.00 28.73 ? 206 ASN A N 1 ATOM 1599 C CA . ASN A 1 206 ? -43.644 -23.009 1.990 1.00 29.11 ? 206 ASN A CA 1 ATOM 1600 C C . ASN A 1 206 ? -43.093 -21.625 1.643 1.00 29.83 ? 206 ASN A C 1 ATOM 1601 O O . ASN A 1 206 ? -43.653 -20.608 2.050 1.00 29.53 ? 206 ASN A O 1 ATOM 1602 C CB . ASN A 1 206 ? -44.490 -22.936 3.270 1.00 28.70 ? 206 ASN A CB 1 ATOM 1603 C CG . ASN A 1 206 ? -45.314 -24.189 3.488 1.00 27.77 ? 206 ASN A CG 1 ATOM 1604 O OD1 . ASN A 1 206 ? -45.963 -24.675 2.567 1.00 28.45 ? 206 ASN A OD1 1 ATOM 1605 N ND2 . ASN A 1 206 ? -45.286 -24.719 4.698 1.00 27.36 ? 206 ASN A ND2 1 ATOM 1606 N N . GLY A 1 207 ? -42.000 -21.587 0.887 1.00 30.54 ? 207 GLY A N 1 ATOM 1607 C CA . GLY A 1 207 ? -41.404 -20.315 0.483 1.00 31.08 ? 207 GLY A CA 1 ATOM 1608 C C . GLY A 1 207 ? -40.543 -19.654 1.548 1.00 31.52 ? 207 GLY A C 1 ATOM 1609 O O . GLY A 1 207 ? -40.081 -18.531 1.354 1.00 30.90 ? 207 GLY A O 1 ATOM 1610 N N . VAL A 1 208 ? -40.304 -20.355 2.658 1.00 32.53 ? 208 VAL A N 1 ATOM 1611 C CA . VAL A 1 208 ? -39.535 -19.823 3.787 1.00 33.21 ? 208 VAL A CA 1 ATOM 1612 C C . VAL A 1 208 ? -38.092 -20.345 3.722 1.00 33.92 ? 208 VAL A C 1 ATOM 1613 O O . VAL A 1 208 ? -37.876 -21.540 3.504 1.00 33.43 ? 208 VAL A O 1 ATOM 1614 C CB . VAL A 1 208 ? -40.185 -20.238 5.131 1.00 33.30 ? 208 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 208 ? -39.309 -19.866 6.318 1.00 33.56 ? 208 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 208 ? -41.567 -19.614 5.279 1.00 33.69 ? 208 VAL A CG2 1 ATOM 1617 N N . PHE A 1 209 ? -37.113 -19.453 3.903 1.00 34.10 ? 209 PHE A N 1 ATOM 1618 C CA . PHE A 1 209 ? -35.696 -19.846 3.952 1.00 34.30 ? 209 PHE A CA 1 ATOM 1619 C C . PHE A 1 209 ? -35.439 -20.663 5.223 1.00 36.03 ? 209 PHE A C 1 ATOM 1620 O O . PHE A 1 209 ? -35.887 -20.283 6.305 1.00 36.99 ? 209 PHE A O 1 ATOM 1621 C CB . PHE A 1 209 ? -34.768 -18.613 3.990 1.00 33.57 ? 209 PHE A CB 1 ATOM 1622 C CG . PHE A 1 209 ? -34.679 -17.822 2.692 1.00 32.15 ? 209 PHE A CG 1 ATOM 1623 C CD1 . PHE A 1 209 ? -35.497 -18.083 1.593 1.00 31.98 ? 209 PHE A CD1 1 ATOM 1624 C CD2 . PHE A 1 209 ? -33.764 -16.778 2.596 1.00 32.38 ? 209 PHE A CD2 1 ATOM 1625 C CE1 . PHE A 1 209 ? -35.383 -17.334 0.428 1.00 31.78 ? 209 PHE A CE1 1 ATOM 1626 C CE2 . PHE A 1 209 ? -33.652 -16.024 1.437 1.00 31.81 ? 209 PHE A CE2 1 ATOM 1627 C CZ . PHE A 1 209 ? -34.461 -16.301 0.352 1.00 31.33 ? 209 PHE A CZ 1 ATOM 1628 N N . ARG A 1 210 ? -34.711 -21.771 5.093 1.00 36.91 ? 210 ARG A N 1 ATOM 1629 C CA . ARG A 1 210 ? -34.255 -22.546 6.254 1.00 38.84 ? 210 ARG A CA 1 ATOM 1630 C C . ARG A 1 210 ? -33.310 -21.709 7.120 1.00 38.84 ? 210 ARG A C 1 ATOM 1631 O O . ARG A 1 210 ? -33.349 -21.790 8.347 1.00 38.61 ? 210 ARG A O 1 ATOM 1632 C CB . ARG A 1 210 ? -33.520 -23.814 5.810 1.00 39.49 ? 210 ARG A CB 1 ATOM 1633 C CG . ARG A 1 210 ? -34.355 -24.801 5.007 1.00 40.44 ? 210 ARG A CG 1 ATOM 1634 C CD . ARG A 1 210 ? -35.194 -25.689 5.909 1.00 40.69 ? 210 ARG A CD 1 ATOM 1635 N NE . ARG A 1 210 ? -36.072 -26.574 5.146 1.00 40.23 ? 210 ARG A NE 1 ATOM 1636 C CZ . ARG A 1 210 ? -37.021 -27.341 5.681 1.00 39.64 ? 210 ARG A CZ 1 ATOM 1637 N NH1 . ARG A 1 210 ? -37.227 -27.343 6.994 1.00 38.80 ? 210 ARG A NH1 1 ATOM 1638 N NH2 . ARG A 1 210 ? -37.767 -28.115 4.899 1.00 39.15 ? 210 ARG A NH2 1 ATOM 1639 N N . THR A 1 211 ? -32.455 -20.925 6.459 1.00 38.57 ? 211 THR A N 1 ATOM 1640 C CA . THR A 1 211 ? -31.500 -20.035 7.119 1.00 38.91 ? 211 THR A CA 1 ATOM 1641 C C . THR A 1 211 ? -31.599 -18.649 6.472 1.00 38.87 ? 211 THR A C 1 ATOM 1642 O O . THR A 1 211 ? -31.451 -18.527 5.255 1.00 36.85 ? 211 THR A O 1 ATOM 1643 C CB . THR A 1 211 ? -30.055 -20.553 6.977 1.00 39.45 ? 211 THR A CB 1 ATOM 1644 O OG1 . THR A 1 211 ? -29.993 -21.928 7.375 1.00 39.62 ? 211 THR A OG1 1 ATOM 1645 C CG2 . THR A 1 211 ? -29.089 -19.741 7.838 1.00 39.74 ? 211 THR A CG2 1 ATOM 1646 N N . PRO A 1 212 ? -31.868 -17.603 7.274 1.00 38.92 ? 212 PRO A N 1 ATOM 1647 C CA . PRO A 1 212 ? -31.985 -16.268 6.686 1.00 38.96 ? 212 PRO A CA 1 ATOM 1648 C C . PRO A 1 212 ? -30.685 -15.789 6.055 1.00 38.09 ? 212 PRO A C 1 ATOM 1649 O O . PRO A 1 212 ? -29.609 -16.178 6.503 1.00 38.72 ? 212 PRO A O 1 ATOM 1650 C CB . PRO A 1 212 ? -32.342 -15.385 7.885 1.00 39.92 ? 212 PRO A CB 1 ATOM 1651 C CG . PRO A 1 212 ? -32.986 -16.313 8.856 1.00 40.52 ? 212 PRO A CG 1 ATOM 1652 C CD . PRO A 1 212 ? -32.246 -17.607 8.699 1.00 40.06 ? 212 PRO A CD 1 ATOM 1653 N N . THR A 1 213 ? -30.797 -14.960 5.021 1.00 37.64 ? 213 THR A N 1 ATOM 1654 C CA . THR A 1 213 ? -29.639 -14.373 4.353 1.00 36.74 ? 213 THR A CA 1 ATOM 1655 C C . THR A 1 213 ? -29.552 -12.890 4.708 1.00 36.83 ? 213 THR A C 1 ATOM 1656 O O . THR A 1 213 ? -30.503 -12.138 4.490 1.00 34.68 ? 213 THR A O 1 ATOM 1657 C CB . THR A 1 213 ? -29.733 -14.550 2.822 1.00 37.50 ? 213 THR A CB 1 ATOM 1658 O OG1 . THR A 1 213 ? -29.560 -15.934 2.482 1.00 37.10 ? 213 THR A OG1 1 ATOM 1659 C CG2 . THR A 1 213 ? -28.673 -13.714 2.096 1.00 37.60 ? 213 THR A CG2 1 ATOM 1660 N N . VAL A 1 214 ? -28.414 -12.468 5.260 1.00 37.66 ? 214 VAL A N 1 ATOM 1661 C CA . VAL A 1 214 ? -28.205 -11.056 5.590 1.00 37.88 ? 214 VAL A CA 1 ATOM 1662 C C . VAL A 1 214 ? -27.590 -10.304 4.408 1.00 37.48 ? 214 VAL A C 1 ATOM 1663 O O . VAL A 1 214 ? -26.529 -10.678 3.906 1.00 36.81 ? 214 VAL A O 1 ATOM 1664 C CB . VAL A 1 214 ? -27.299 -10.864 6.826 1.00 39.16 ? 214 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 214 ? -27.259 -9.395 7.225 1.00 39.54 ? 214 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 214 ? -27.794 -11.701 7.996 1.00 39.84 ? 214 VAL A CG2 1 ATOM 1667 N N . LEU A 1 215 ? -28.269 -9.239 3.984 1.00 38.27 ? 215 LEU A N 1 ATOM 1668 C CA . LEU A 1 215 ? -27.800 -8.370 2.907 1.00 38.55 ? 215 LEU A CA 1 ATOM 1669 C C . LEU A 1 215 ? -27.653 -6.927 3.381 1.00 41.09 ? 215 LEU A C 1 ATOM 1670 O O . LEU A 1 215 ? -28.126 -6.571 4.460 1.00 42.61 ? 215 LEU A O 1 ATOM 1671 C CB . LEU A 1 215 ? -28.793 -8.388 1.745 1.00 37.30 ? 215 LEU A CB 1 ATOM 1672 C CG . LEU A 1 215 ? -29.002 -9.682 0.963 1.00 36.57 ? 215 LEU A CG 1 ATOM 1673 C CD1 . LEU A 1 215 ? -29.902 -9.385 -0.223 1.00 36.95 ? 215 LEU A CD1 1 ATOM 1674 C CD2 . LEU A 1 215 ? -27.689 -10.287 0.498 1.00 36.28 ? 215 LEU A CD2 1 ATOM 1675 N N . VAL A 1 216 ? -26.992 -6.108 2.564 1.00 41.96 ? 216 VAL A N 1 ATOM 1676 C CA . VAL A 1 216 ? -27.027 -4.649 2.707 1.00 43.70 ? 216 VAL A CA 1 ATOM 1677 C C . VAL A 1 216 ? -27.939 -4.086 1.619 1.00 45.26 ? 216 VAL A C 1 ATOM 1678 O O . VAL A 1 216 ? -27.848 -4.503 0.464 1.00 42.64 ? 216 VAL A O 1 ATOM 1679 C CB . VAL A 1 216 ? -25.625 -4.019 2.567 1.00 44.07 ? 216 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 216 ? -25.707 -2.498 2.629 1.00 44.95 ? 216 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 216 ? -24.693 -4.539 3.650 1.00 44.17 ? 216 VAL A CG2 1 ATOM 1682 N N . ASP A 1 217 ? -28.813 -3.145 1.983 1.00 48.06 ? 217 ASP A N 1 ATOM 1683 C CA . ASP A 1 217 ? -29.731 -2.530 1.010 1.00 52.00 ? 217 ASP A CA 1 ATOM 1684 C C . ASP A 1 217 ? -29.137 -1.270 0.372 1.00 53.18 ? 217 ASP A C 1 ATOM 1685 O O . ASP A 1 217 ? -28.065 -0.809 0.768 1.00 49.82 ? 217 ASP A O 1 ATOM 1686 C CB . ASP A 1 217 ? -31.116 -2.241 1.633 1.00 54.16 ? 217 ASP A CB 1 ATOM 1687 C CG . ASP A 1 217 ? -31.083 -1.182 2.738 1.00 56.35 ? 217 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 217 ? -30.117 -0.392 2.825 1.00 57.75 ? 217 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 217 ? -32.052 -1.143 3.527 1.00 59.00 ? 217 ASP A OD2 1 ATOM 1690 N N . SER A 1 218 ? -29.846 -0.732 -0.621 1.00 57.89 ? 218 SER A N 1 ATOM 1691 C CA . SER A 1 218 ? -29.475 0.515 -1.311 1.00 62.81 ? 218 SER A CA 1 ATOM 1692 C C . SER A 1 218 ? -28.983 1.620 -0.381 1.00 65.61 ? 218 SER A C 1 ATOM 1693 O O . SER A 1 218 ? -28.005 2.309 -0.677 1.00 67.28 ? 218 SER A O 1 ATOM 1694 C CB . SER A 1 218 ? -30.684 1.059 -2.074 1.00 63.89 ? 218 SER A CB 1 ATOM 1695 O OG . SER A 1 218 ? -31.277 0.054 -2.876 1.00 64.59 ? 218 SER A OG 1 ATOM 1696 N N . LYS A 1 219 ? -29.674 1.774 0.746 1.00 68.58 ? 219 LYS A N 1 ATOM 1697 C CA . LYS A 1 219 ? -29.435 2.881 1.671 1.00 70.68 ? 219 LYS A CA 1 ATOM 1698 C C . LYS A 1 219 ? -28.285 2.603 2.647 1.00 68.23 ? 219 LYS A C 1 ATOM 1699 O O . LYS A 1 219 ? -28.034 3.402 3.551 1.00 69.73 ? 219 LYS A O 1 ATOM 1700 C CB . LYS A 1 219 ? -30.720 3.211 2.451 1.00 74.52 ? 219 LYS A CB 1 ATOM 1701 C CG . LYS A 1 219 ? -32.000 3.107 1.624 1.00 77.58 ? 219 LYS A CG 1 ATOM 1702 C CD . LYS A 1 219 ? -32.847 4.368 1.684 1.00 80.59 ? 219 LYS A CD 1 ATOM 1703 C CE . LYS A 1 219 ? -33.871 4.398 0.555 1.00 82.92 ? 219 LYS A CE 1 ATOM 1704 N NZ . LYS A 1 219 ? -33.981 5.748 -0.063 1.00 84.46 ? 219 LYS A NZ 1 ATOM 1705 N N . GLY A 1 220 ? -27.592 1.479 2.465 1.00 64.44 ? 220 GLY A N 1 ATOM 1706 C CA . GLY A 1 220 ? -26.465 1.115 3.318 1.00 61.82 ? 220 GLY A CA 1 ATOM 1707 C C . GLY A 1 220 ? -26.866 0.356 4.571 1.00 60.30 ? 220 GLY A C 1 ATOM 1708 O O . GLY A 1 220 ? -26.021 0.087 5.427 1.00 59.78 ? 220 GLY A O 1 ATOM 1709 N N . ASN A 1 221 ? -28.146 -0.005 4.677 1.00 59.48 ? 221 ASN A N 1 ATOM 1710 C CA . ASN A 1 221 ? -28.666 -0.680 5.870 1.00 59.68 ? 221 ASN A CA 1 ATOM 1711 C C . ASN A 1 221 ? -28.722 -2.199 5.715 1.00 59.29 ? 221 ASN A C 1 ATOM 1712 O O . ASN A 1 221 ? -29.137 -2.712 4.676 1.00 58.06 ? 221 ASN A O 1 ATOM 1713 C CB . ASN A 1 221 ? -30.052 -0.138 6.230 1.00 59.68 ? 221 ASN A CB 1 ATOM 1714 C CG . ASN A 1 221 ? -30.005 1.299 6.715 1.00 58.73 ? 221 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 221 ? -29.253 1.628 7.632 1.00 58.91 ? 221 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 221 ? -30.811 2.163 6.106 1.00 58.69 ? 221 ASN A ND2 1 ATOM 1717 N N . ARG A 1 222 ? -28.313 -2.900 6.772 1.00 59.90 ? 222 ARG A N 1 ATOM 1718 C CA . ARG A 1 222 ? -28.205 -4.363 6.771 1.00 60.67 ? 222 ARG A CA 1 ATOM 1719 C C . ARG A 1 222 ? -29.566 -5.016 7.042 1.00 58.58 ? 222 ARG A C 1 ATOM 1720 O O . ARG A 1 222 ? -30.196 -4.738 8.063 1.00 57.37 ? 222 ARG A O 1 ATOM 1721 C CB . ARG A 1 222 ? -27.140 -4.808 7.793 1.00 62.52 ? 222 ARG A CB 1 ATOM 1722 C CG . ARG A 1 222 ? -27.308 -6.198 8.402 1.00 64.47 ? 222 ARG A CG 1 ATOM 1723 C CD . ARG A 1 222 ? -27.982 -6.134 9.769 1.00 65.54 ? 222 ARG A CD 1 ATOM 1724 N NE . ARG A 1 222 ? -28.197 -7.449 10.371 1.00 66.30 ? 222 ARG A NE 1 ATOM 1725 C CZ . ARG A 1 222 ? -29.378 -7.963 10.722 1.00 66.30 ? 222 ARG A CZ 1 ATOM 1726 N NH1 . ARG A 1 222 ? -29.414 -9.173 11.265 1.00 65.77 ? 222 ARG A NH1 1 ATOM 1727 N NH2 . ARG A 1 222 ? -30.518 -7.295 10.549 1.00 66.26 ? 222 ARG A NH2 1 ATOM 1728 N N . VAL A 1 223 ? -30.013 -5.878 6.126 1.00 56.42 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 223 ? -31.347 -6.484 6.220 1.00 54.27 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 223 ? -31.340 -8.007 6.087 1.00 51.04 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 223 ? -30.487 -8.584 5.414 1.00 50.18 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 223 ? -32.324 -5.864 5.196 1.00 54.69 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 223 ? -32.429 -4.366 5.435 1.00 55.83 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 223 ? -31.895 -6.142 3.761 1.00 55.00 ? 223 VAL A CG2 1 ATOM 1735 N N . GLN A 1 224 ? -32.311 -8.636 6.743 1.00 47.73 ? 224 GLN A N 1 ATOM 1736 C CA . GLN A 1 224 ? -32.441 -10.085 6.761 1.00 45.74 ? 224 GLN A CA 1 ATOM 1737 C C . GLN A 1 224 ? -33.452 -10.508 5.710 1.00 41.69 ? 224 GLN A C 1 ATOM 1738 O O . GLN A 1 224 ? -34.552 -9.965 5.655 1.00 39.76 ? 224 GLN A O 1 ATOM 1739 C CB . GLN A 1 224 ? -32.924 -10.567 8.133 1.00 47.99 ? 224 GLN A CB 1 ATOM 1740 C CG . GLN A 1 224 ? -31.864 -10.563 9.225 1.00 50.19 ? 224 GLN A CG 1 ATOM 1741 C CD . GLN A 1 224 ? -31.875 -11.838 10.059 1.00 52.52 ? 224 GLN A CD 1 ATOM 1742 O OE1 . GLN A 1 224 ? -32.936 -12.396 10.351 1.00 54.05 ? 224 GLN A OE1 1 ATOM 1743 N NE2 . GLN A 1 224 ? -30.688 -12.306 10.446 1.00 53.50 ? 224 GLN A NE2 1 ATOM 1744 N N . ILE A 1 225 ? -33.079 -11.473 4.878 1.00 38.44 ? 225 ILE A N 1 ATOM 1745 C CA . ILE A 1 225 ? -33.989 -12.035 3.883 1.00 36.90 ? 225 ILE A CA 1 ATOM 1746 C C . ILE A 1 225 ? -34.401 -13.406 4.408 1.00 36.67 ? 225 ILE A C 1 ATOM 1747 O O . ILE A 1 225 ? -33.548 -14.253 4.648 1.00 36.53 ? 225 ILE A O 1 ATOM 1748 C CB . ILE A 1 225 ? -33.307 -12.160 2.505 1.00 35.89 ? 225 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 225 ? -32.624 -10.836 2.117 1.00 35.53 ? 225 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 225 ? -34.303 -12.592 1.435 1.00 35.24 ? 225 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 225 ? -33.536 -9.627 2.110 1.00 35.65 ? 225 ILE A CD1 1 ATOM 1752 N N . THR A 1 226 ? -35.702 -13.605 4.609 1.00 36.72 ? 226 THR A N 1 ATOM 1753 C CA . THR A 1 226 ? -36.211 -14.812 5.272 1.00 36.67 ? 226 THR A CA 1 ATOM 1754 C C . THR A 1 226 ? -37.136 -15.663 4.409 1.00 35.85 ? 226 THR A C 1 ATOM 1755 O O . THR A 1 226 ? -37.419 -16.812 4.758 1.00 36.75 ? 226 THR A O 1 ATOM 1756 C CB . THR A 1 226 ? -36.988 -14.448 6.550 1.00 37.52 ? 226 THR A CB 1 ATOM 1757 O OG1 . THR A 1 226 ? -38.103 -13.611 6.217 1.00 37.87 ? 226 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 226 ? -36.081 -13.732 7.551 1.00 38.23 ? 226 THR A CG2 1 ATOM 1759 N N . ASN A 1 227 ? -37.617 -15.110 3.301 1.00 34.19 ? 227 ASN A N 1 ATOM 1760 C CA . ASN A 1 227 ? -38.592 -15.811 2.473 1.00 34.88 ? 227 ASN A CA 1 ATOM 1761 C C . ASN A 1 227 ? -38.657 -15.265 1.050 1.00 32.87 ? 227 ASN A C 1 ATOM 1762 O O . ASN A 1 227 ? -38.102 -14.202 0.753 1.00 33.70 ? 227 ASN A O 1 ATOM 1763 C CB . ASN A 1 227 ? -39.980 -15.831 3.157 1.00 37.28 ? 227 ASN A CB 1 ATOM 1764 C CG . ASN A 1 227 ? -40.649 -14.462 3.233 1.00 39.53 ? 227 ASN A CG 1 ATOM 1765 O OD1 . ASN A 1 227 ? -41.144 -13.951 2.229 1.00 40.13 ? 227 ASN A OD1 1 ATOM 1766 N ND2 . ASN A 1 227 ? -40.695 -13.879 4.437 1.00 44.48 ? 227 ASN A ND2 1 ATOM 1767 N N . VAL A 1 228 ? -39.331 -16.005 0.176 1.00 31.13 ? 228 VAL A N 1 ATOM 1768 C CA . VAL A 1 228 ? -39.345 -15.692 -1.255 1.00 31.17 ? 228 VAL A CA 1 ATOM 1769 C C . VAL A 1 228 ? -40.179 -14.469 -1.654 1.00 31.69 ? 228 VAL A C 1 ATOM 1770 O O . VAL A 1 228 ? -40.166 -14.088 -2.824 1.00 30.76 ? 228 VAL A O 1 ATOM 1771 C CB . VAL A 1 228 ? -39.810 -16.889 -2.118 1.00 31.46 ? 228 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 228 ? -38.878 -18.081 -1.928 1.00 31.51 ? 228 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 228 ? -41.272 -17.250 -1.830 1.00 31.26 ? 228 VAL A CG2 1 ATOM 1774 N N . THR A 1 229 ? -40.905 -13.858 -0.716 1.00 33.07 ? 229 THR A N 1 ATOM 1775 C CA . THR A 1 229 ? -41.656 -12.630 -1.037 1.00 34.47 ? 229 THR A CA 1 ATOM 1776 C C . THR A 1 229 ? -40.768 -11.383 -1.006 1.00 35.40 ? 229 THR A C 1 ATOM 1777 O O . THR A 1 229 ? -41.217 -10.306 -1.382 1.00 36.20 ? 229 THR A O 1 ATOM 1778 C CB . THR A 1 229 ? -42.870 -12.378 -0.108 1.00 34.60 ? 229 THR A CB 1 ATOM 1779 O OG1 . THR A 1 229 ? -42.427 -11.932 1.181 1.00 35.42 ? 229 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 229 ? -43.727 -13.625 0.039 1.00 35.37 ? 229 THR A CG2 1 ATOM 1781 N N . SER A 1 230 ? -39.525 -11.514 -0.552 1.00 36.02 ? 230 SER A N 1 ATOM 1782 C CA . SER A 1 230 ? -38.604 -10.382 -0.565 1.00 37.28 ? 230 SER A CA 1 ATOM 1783 C C . SER A 1 230 ? -38.322 -9.918 -2.004 1.00 36.09 ? 230 SER A C 1 ATOM 1784 O O . SER A 1 230 ? -38.334 -10.717 -2.948 1.00 33.44 ? 230 SER A O 1 ATOM 1785 C CB . SER A 1 230 ? -37.307 -10.727 0.174 1.00 39.19 ? 230 SER A CB 1 ATOM 1786 O OG . SER A 1 230 ? -36.234 -9.917 -0.274 1.00 42.16 ? 230 SER A OG 1 ATOM 1787 N N . ASN A 1 231 ? -38.091 -8.618 -2.167 1.00 36.65 ? 231 ASN A N 1 ATOM 1788 C CA . ASN A 1 231 ? -37.807 -8.045 -3.487 1.00 37.31 ? 231 ASN A CA 1 ATOM 1789 C C . ASN A 1 231 ? -36.558 -8.638 -4.144 1.00 33.12 ? 231 ASN A C 1 ATOM 1790 O O . ASN A 1 231 ? -36.468 -8.698 -5.371 1.00 32.25 ? 231 ASN A O 1 ATOM 1791 C CB . ASN A 1 231 ? -37.674 -6.521 -3.396 1.00 41.25 ? 231 ASN A CB 1 ATOM 1792 C CG . ASN A 1 231 ? -39.008 -5.833 -3.158 1.00 45.35 ? 231 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 231 ? -39.830 -5.719 -4.069 1.00 48.89 ? 231 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 231 ? -39.231 -5.370 -1.931 1.00 47.34 ? 231 ASN A ND2 1 ATOM 1795 N N . VAL A 1 232 ? -35.606 -9.084 -3.328 1.00 30.81 ? 232 VAL A N 1 ATOM 1796 C CA . VAL A 1 232 ? -34.381 -9.705 -3.848 1.00 29.89 ? 232 VAL A CA 1 ATOM 1797 C C . VAL A 1 232 ? -34.751 -10.940 -4.673 1.00 28.61 ? 232 VAL A C 1 ATOM 1798 O O . VAL A 1 232 ? -34.159 -11.198 -5.722 1.00 27.05 ? 232 VAL A O 1 ATOM 1799 C CB . VAL A 1 232 ? -33.385 -10.107 -2.734 1.00 30.83 ? 232 VAL A CB 1 ATOM 1800 C CG1 . VAL A 1 232 ? -32.031 -10.468 -3.335 1.00 30.75 ? 232 VAL A CG1 1 ATOM 1801 C CG2 . VAL A 1 232 ? -33.202 -8.986 -1.720 1.00 31.44 ? 232 VAL A CG2 1 ATOM 1802 N N . VAL A 1 233 ? -35.753 -11.687 -4.206 1.00 27.71 ? 233 VAL A N 1 ATOM 1803 C CA . VAL A 1 233 ? -36.191 -12.909 -4.886 1.00 27.07 ? 233 VAL A CA 1 ATOM 1804 C C . VAL A 1 233 ? -37.180 -12.639 -6.019 1.00 27.05 ? 233 VAL A C 1 ATOM 1805 O O . VAL A 1 233 ? -37.068 -13.238 -7.091 1.00 26.78 ? 233 VAL A O 1 ATOM 1806 C CB . VAL A 1 233 ? -36.823 -13.914 -3.893 1.00 26.96 ? 233 VAL A CB 1 ATOM 1807 C CG1 . VAL A 1 233 ? -37.236 -15.188 -4.612 1.00 26.96 ? 233 VAL A CG1 1 ATOM 1808 C CG2 . VAL A 1 233 ? -35.844 -14.252 -2.779 1.00 26.65 ? 233 VAL A CG2 1 ATOM 1809 N N . THR A 1 234 ? -38.154 -11.760 -5.785 1.00 27.95 ? 234 THR A N 1 ATOM 1810 C CA . THR A 1 234 ? -39.211 -11.518 -6.774 1.00 29.35 ? 234 THR A CA 1 ATOM 1811 C C . THR A 1 234 ? -38.751 -10.651 -7.941 1.00 30.40 ? 234 THR A C 1 ATOM 1812 O O . THR A 1 234 ? -39.274 -10.793 -9.046 1.00 30.74 ? 234 THR A O 1 ATOM 1813 C CB . THR A 1 234 ? -40.467 -10.862 -6.156 1.00 29.43 ? 234 THR A CB 1 ATOM 1814 O OG1 . THR A 1 234 ? -40.123 -9.593 -5.589 1.00 29.78 ? 234 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 234 ? -41.077 -11.750 -5.077 1.00 29.62 ? 234 THR A CG2 1 ATOM 1816 N N . SER A 1 235 ? -37.780 -9.765 -7.705 1.00 31.93 ? 235 SER A N 1 ATOM 1817 C CA . SER A 1 235 ? -37.388 -8.762 -8.711 1.00 33.08 ? 235 SER A CA 1 ATOM 1818 C C . SER A 1 235 ? -35.915 -8.814 -9.164 1.00 32.52 ? 235 SER A C 1 ATOM 1819 O O . SER A 1 235 ? -35.617 -8.610 -10.343 1.00 36.66 ? 235 SER A O 1 ATOM 1820 C CB . SER A 1 235 ? -37.709 -7.362 -8.189 1.00 34.15 ? 235 SER A CB 1 ATOM 1821 O OG . SER A 1 235 ? -39.001 -7.325 -7.605 1.00 36.44 ? 235 SER A OG 1 ATOM 1822 N N . ASN A 1 236 ? -35.012 -9.112 -8.242 1.00 29.33 ? 236 ASN A N 1 ATOM 1823 C CA . ASN A 1 236 ? -33.585 -8.870 -8.430 1.00 27.22 ? 236 ASN A CA 1 ATOM 1824 C C . ASN A 1 236 ? -32.830 -10.067 -9.044 1.00 25.71 ? 236 ASN A C 1 ATOM 1825 O O . ASN A 1 236 ? -32.375 -9.997 -10.190 1.00 24.28 ? 236 ASN A O 1 ATOM 1826 C CB . ASN A 1 236 ? -33.016 -8.456 -7.068 1.00 26.78 ? 236 ASN A CB 1 ATOM 1827 C CG . ASN A 1 236 ? -31.626 -7.866 -7.145 1.00 26.76 ? 236 ASN A CG 1 ATOM 1828 O OD1 . ASN A 1 236 ? -30.946 -7.947 -8.162 1.00 25.53 ? 236 ASN A OD1 1 ATOM 1829 N ND2 . ASN A 1 236 ? -31.193 -7.275 -6.044 1.00 27.16 ? 236 ASN A ND2 1 ATOM 1830 N N . ILE A 1 237 ? -32.726 -11.166 -8.303 1.00 24.94 ? 237 ILE A N 1 ATOM 1831 C CA . ILE A 1 237 ? -31.948 -12.326 -8.748 1.00 24.42 ? 237 ILE A CA 1 ATOM 1832 C C . ILE A 1 237 ? -32.539 -12.902 -10.042 1.00 24.74 ? 237 ILE A C 1 ATOM 1833 O O . ILE A 1 237 ? -33.757 -12.989 -10.184 1.00 25.21 ? 237 ILE A O 1 ATOM 1834 C CB . ILE A 1 237 ? -31.838 -13.398 -7.631 1.00 24.17 ? 237 ILE A CB 1 ATOM 1835 C CG1 . ILE A 1 237 ? -30.712 -14.393 -7.929 1.00 23.72 ? 237 ILE A CG1 1 ATOM 1836 C CG2 . ILE A 1 237 ? -33.161 -14.132 -7.429 1.00 24.43 ? 237 ILE A CG2 1 ATOM 1837 C CD1 . ILE A 1 237 ? -30.193 -15.113 -6.703 1.00 23.71 ? 237 ILE A CD1 1 ATOM 1838 N N . GLN A 1 238 ? -31.672 -13.258 -10.991 1.00 24.36 ? 238 GLN A N 1 ATOM 1839 C CA . GLN A 1 238 ? -32.100 -13.734 -12.308 1.00 24.94 ? 238 GLN A CA 1 ATOM 1840 C C . GLN A 1 238 ? -31.640 -15.145 -12.640 1.00 24.25 ? 238 GLN A C 1 ATOM 1841 O O . GLN A 1 238 ? -32.050 -15.704 -13.653 1.00 24.84 ? 238 GLN A O 1 ATOM 1842 C CB . GLN A 1 238 ? -31.581 -12.781 -13.381 1.00 25.71 ? 238 GLN A CB 1 ATOM 1843 C CG . GLN A 1 238 ? -32.007 -11.342 -13.145 1.00 26.81 ? 238 GLN A CG 1 ATOM 1844 C CD . GLN A 1 238 ? -33.507 -11.151 -13.315 1.00 28.30 ? 238 GLN A CD 1 ATOM 1845 O OE1 . GLN A 1 238 ? -34.098 -11.663 -14.263 1.00 30.11 ? 238 GLN A OE1 1 ATOM 1846 N NE2 . GLN A 1 238 ? -34.128 -10.415 -12.399 1.00 28.40 ? 238 GLN A NE2 1 ATOM 1847 N N . LEU A 1 239 ? -30.788 -15.715 -11.797 1.00 24.26 ? 239 LEU A N 1 ATOM 1848 C CA . LEU A 1 239 ? -30.190 -17.016 -12.059 1.00 24.03 ? 239 LEU A CA 1 ATOM 1849 C C . LEU A 1 239 ? -29.855 -17.670 -10.724 1.00 24.40 ? 239 LEU A C 1 ATOM 1850 O O . LEU A 1 239 ? -29.375 -17.002 -9.800 1.00 23.79 ? 239 LEU A O 1 ATOM 1851 C CB . LEU A 1 239 ? -28.909 -16.866 -12.894 1.00 24.18 ? 239 LEU A CB 1 ATOM 1852 C CG . LEU A 1 239 ? -28.914 -16.160 -14.258 1.00 23.92 ? 239 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 239 ? -27.487 -15.817 -14.662 1.00 23.89 ? 239 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 239 ? -29.567 -17.012 -15.337 1.00 23.98 ? 239 LEU A CD2 1 ATOM 1855 N N . LEU A 1 240 ? -30.123 -18.968 -10.616 1.00 24.68 ? 240 LEU A N 1 ATOM 1856 C CA . LEU A 1 240 ? -29.824 -19.712 -9.403 1.00 25.67 ? 240 LEU A CA 1 ATOM 1857 C C . LEU A 1 240 ? -28.742 -20.732 -9.659 1.00 25.24 ? 240 LEU A C 1 ATOM 1858 O O . LEU A 1 240 ? -28.818 -21.516 -10.604 1.00 25.82 ? 240 LEU A O 1 ATOM 1859 C CB . LEU A 1 240 ? -31.066 -20.433 -8.869 1.00 26.07 ? 240 LEU A CB 1 ATOM 1860 C CG . LEU A 1 240 ? -32.290 -19.556 -8.628 1.00 26.65 ? 240 LEU A CG 1 ATOM 1861 C CD1 . LEU A 1 240 ? -33.475 -20.423 -8.225 1.00 27.15 ? 240 LEU A CD1 1 ATOM 1862 C CD2 . LEU A 1 240 ? -32.005 -18.498 -7.576 1.00 26.62 ? 240 LEU A CD2 1 ATOM 1863 N N . LEU A 1 241 ? -27.730 -20.697 -8.804 1.00 25.88 ? 241 LEU A N 1 ATOM 1864 C CA . LEU A 1 241 ? -26.733 -21.737 -8.740 1.00 26.62 ? 241 LEU A CA 1 ATOM 1865 C C . LEU A 1 241 ? -27.404 -22.986 -8.192 1.00 27.19 ? 241 LEU A C 1 ATOM 1866 O O . LEU A 1 241 ? -28.007 -22.948 -7.119 1.00 26.25 ? 241 LEU A O 1 ATOM 1867 C CB . LEU A 1 241 ? -25.610 -21.306 -7.803 1.00 26.70 ? 241 LEU A CB 1 ATOM 1868 C CG . LEU A 1 241 ? -24.401 -22.222 -7.675 1.00 27.30 ? 241 LEU A CG 1 ATOM 1869 C CD1 . LEU A 1 241 ? -23.729 -22.411 -9.027 1.00 27.13 ? 241 LEU A CD1 1 ATOM 1870 C CD2 . LEU A 1 241 ? -23.437 -21.632 -6.656 1.00 27.11 ? 241 LEU A CD2 1 ATOM 1871 N N . ASN A 1 242 ? -27.306 -24.081 -8.935 1.00 28.89 ? 242 ASN A N 1 ATOM 1872 C CA . ASN A 1 242 ? -27.908 -25.342 -8.521 1.00 29.96 ? 242 ASN A CA 1 ATOM 1873 C C . ASN A 1 242 ? -27.309 -25.783 -7.195 1.00 31.46 ? 242 ASN A C 1 ATOM 1874 O O . ASN A 1 242 ? -26.087 -25.757 -7.021 1.00 29.59 ? 242 ASN A O 1 ATOM 1875 C CB . ASN A 1 242 ? -27.682 -26.415 -9.588 1.00 30.78 ? 242 ASN A CB 1 ATOM 1876 C CG . ASN A 1 242 ? -28.660 -27.571 -9.476 1.00 30.86 ? 242 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 242 ? -28.623 -28.335 -8.512 1.00 30.39 ? 242 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 242 ? -29.530 -27.712 -10.471 1.00 30.75 ? 242 ASN A ND2 1 ATOM 1879 N N . THR A 1 243 ? -28.169 -26.179 -6.259 1.00 32.64 ? 243 THR A N 1 ATOM 1880 C CA . THR A 1 243 ? -27.718 -26.593 -4.933 1.00 34.73 ? 243 THR A CA 1 ATOM 1881 C C . THR A 1 243 ? -26.765 -27.789 -4.974 1.00 36.69 ? 243 THR A C 1 ATOM 1882 O O . THR A 1 243 ? -25.982 -27.993 -4.046 1.00 36.80 ? 243 THR A O 1 ATOM 1883 C CB . THR A 1 243 ? -28.903 -26.927 -4.013 1.00 35.67 ? 243 THR A CB 1 ATOM 1884 O OG1 . THR A 1 243 ? -28.439 -27.018 -2.663 1.00 37.20 ? 243 THR A OG1 1 ATOM 1885 C CG2 . THR A 1 243 ? -29.560 -28.242 -4.424 1.00 35.56 ? 243 THR A CG2 1 ATOM 1886 N N . LYS A 1 244 ? -26.833 -28.579 -6.041 1.00 39.77 ? 244 LYS A N 1 ATOM 1887 C CA . LYS A 1 244 ? -25.872 -29.660 -6.247 1.00 43.86 ? 244 LYS A CA 1 ATOM 1888 C C . LYS A 1 244 ? -24.432 -29.156 -6.399 1.00 45.79 ? 244 LYS A C 1 ATOM 1889 O O . LYS A 1 244 ? -23.484 -29.922 -6.207 1.00 45.82 ? 244 LYS A O 1 ATOM 1890 C CB . LYS A 1 244 ? -26.285 -30.525 -7.440 1.00 46.22 ? 244 LYS A CB 1 ATOM 1891 C CG . LYS A 1 244 ? -27.400 -31.492 -7.062 1.00 49.44 ? 244 LYS A CG 1 ATOM 1892 C CD . LYS A 1 244 ? -28.210 -32.006 -8.245 1.00 52.06 ? 244 LYS A CD 1 ATOM 1893 C CE . LYS A 1 244 ? -27.925 -33.474 -8.529 1.00 54.39 ? 244 LYS A CE 1 ATOM 1894 N NZ . LYS A 1 244 ? -28.603 -33.948 -9.769 1.00 55.80 ? 244 LYS A NZ 1 ATOM 1895 N N . ASN A 1 245 ? -24.272 -27.875 -6.729 1.00 46.35 ? 245 ASN A N 1 ATOM 1896 C CA . ASN A 1 245 ? -22.952 -27.254 -6.815 1.00 47.33 ? 245 ASN A CA 1 ATOM 1897 C C . ASN A 1 245 ? -22.594 -26.382 -5.604 1.00 47.38 ? 245 ASN A C 1 ATOM 1898 O O . ASN A 1 245 ? -21.619 -25.632 -5.649 1.00 47.98 ? 245 ASN A O 1 ATOM 1899 C CB . ASN A 1 245 ? -22.860 -26.440 -8.109 1.00 47.64 ? 245 ASN A CB 1 ATOM 1900 C CG . ASN A 1 245 ? -22.947 -27.311 -9.348 1.00 48.04 ? 245 ASN A CG 1 ATOM 1901 O OD1 . ASN A 1 245 ? -22.304 -28.360 -9.424 1.00 49.64 ? 245 ASN A OD1 1 ATOM 1902 N ND2 . ASN A 1 245 ? -23.738 -26.885 -10.326 1.00 47.70 ? 245 ASN A ND2 1 ATOM 1903 N N . ILE A 1 246 ? -23.363 -26.493 -4.522 1.00 47.68 ? 246 ILE A N 1 ATOM 1904 C CA . ILE A 1 246 ? -23.120 -25.699 -3.315 1.00 48.42 ? 246 ILE A CA 1 ATOM 1905 C C . ILE A 1 246 ? -22.704 -26.617 -2.161 1.00 50.25 ? 246 ILE A C 1 ATOM 1906 O O . ILE A 1 246 ? -21.646 -26.440 -1.554 1.00 50.75 ? 246 ILE A O 1 ATOM 1907 C CB . ILE A 1 246 ? -24.361 -24.854 -2.937 1.00 47.18 ? 246 ILE A CB 1 ATOM 1908 C CG1 . ILE A 1 246 ? -24.832 -24.047 -4.154 1.00 46.12 ? 246 ILE A CG1 1 ATOM 1909 C CG2 . ILE A 1 246 ? -24.047 -23.914 -1.777 1.00 47.10 ? 246 ILE A CG2 1 ATOM 1910 C CD1 . ILE A 1 246 ? -26.114 -23.267 -3.952 1.00 45.74 ? 246 ILE A CD1 1 ATOM 1911 O OXT . ILE A 1 246 ? -23.406 -27.568 -1.812 1.00 51.72 ? 246 ILE A OXT 1 HETATM 1912 C C1 . NAG B 2 . ? -41.321 -12.595 4.698 1.00 45.20 ? 301 NAG A C1 1 HETATM 1913 C C2 . NAG B 2 . ? -41.919 -12.231 6.063 1.00 40.27 ? 301 NAG A C2 1 HETATM 1914 C C3 . NAG B 2 . ? -42.496 -10.810 6.147 1.00 41.29 ? 301 NAG A C3 1 HETATM 1915 C C4 . NAG B 2 . ? -41.716 -9.812 5.300 1.00 41.06 ? 301 NAG A C4 1 HETATM 1916 C C5 . NAG B 2 . ? -41.525 -10.400 3.906 1.00 40.23 ? 301 NAG A C5 1 HETATM 1917 C C6 . NAG B 2 . ? -40.870 -9.430 2.926 1.00 40.64 ? 301 NAG A C6 1 HETATM 1918 C C7 . NAG B 2 . ? -42.722 -14.453 6.718 1.00 43.67 ? 301 NAG A C7 1 HETATM 1919 C C8 . NAG B 2 . ? -43.902 -15.374 6.842 1.00 44.76 ? 301 NAG A C8 1 HETATM 1920 N N2 . NAG B 2 . ? -42.966 -13.219 6.264 1.00 41.78 ? 301 NAG A N2 1 HETATM 1921 O O3 . NAG B 2 . ? -42.507 -10.357 7.483 1.00 42.13 ? 301 NAG A O3 1 HETATM 1922 O O4 . NAG B 2 . ? -42.412 -8.586 5.256 1.00 41.67 ? 301 NAG A O4 1 HETATM 1923 O O5 . NAG B 2 . ? -40.675 -11.513 4.065 1.00 47.69 ? 301 NAG A O5 1 HETATM 1924 O O6 . NAG B 2 . ? -39.622 -9.010 3.430 1.00 41.31 ? 301 NAG A O6 1 HETATM 1925 O O7 . NAG B 2 . ? -41.600 -14.857 7.031 1.00 44.31 ? 301 NAG A O7 1 HETATM 1926 C C1 . GOL C 3 . ? -18.094 3.823 -22.180 1.00 42.76 ? 302 GOL A C1 1 HETATM 1927 O O1 . GOL C 3 . ? -17.017 4.746 -22.374 1.00 44.00 ? 302 GOL A O1 1 HETATM 1928 C C2 . GOL C 3 . ? -18.639 3.351 -23.524 1.00 42.14 ? 302 GOL A C2 1 HETATM 1929 O O2 . GOL C 3 . ? -17.573 3.149 -24.472 1.00 39.43 ? 302 GOL A O2 1 HETATM 1930 C C3 . GOL C 3 . ? -19.635 4.414 -23.986 1.00 41.94 ? 302 GOL A C3 1 HETATM 1931 O O3 . GOL C 3 . ? -20.070 4.209 -25.335 1.00 41.81 ? 302 GOL A O3 1 HETATM 1932 C C1 . GOL D 3 . ? -36.924 -13.086 -12.678 1.00 47.63 ? 303 GOL A C1 1 HETATM 1933 O O1 . GOL D 3 . ? -37.231 -12.615 -13.999 1.00 50.27 ? 303 GOL A O1 1 HETATM 1934 C C2 . GOL D 3 . ? -37.692 -12.252 -11.653 1.00 45.90 ? 303 GOL A C2 1 HETATM 1935 O O2 . GOL D 3 . ? -38.620 -13.084 -10.937 1.00 48.02 ? 303 GOL A O2 1 HETATM 1936 C C3 . GOL D 3 . ? -36.742 -11.514 -10.704 1.00 44.46 ? 303 GOL A C3 1 HETATM 1937 O O3 . GOL D 3 . ? -36.377 -12.189 -9.483 1.00 40.33 ? 303 GOL A O3 1 HETATM 1938 N N1 . SPD E 4 . ? -15.134 -16.089 -5.391 1.00 42.74 ? 304 SPD A N1 1 HETATM 1939 C C2 . SPD E 4 . ? -15.929 -15.002 -5.895 1.00 43.38 ? 304 SPD A C2 1 HETATM 1940 C C3 . SPD E 4 . ? -15.533 -14.582 -7.301 1.00 43.24 ? 304 SPD A C3 1 HETATM 1941 C C4 . SPD E 4 . ? -15.935 -15.638 -8.305 1.00 42.99 ? 304 SPD A C4 1 HETATM 1942 C C5 . SPD E 4 . ? -15.561 -15.083 -9.660 1.00 42.55 ? 304 SPD A C5 1 HETATM 1943 N N6 . SPD E 4 . ? -14.957 -16.074 -10.522 1.00 41.72 ? 304 SPD A N6 1 HETATM 1944 C C7 . SPD E 4 . ? -15.484 -16.317 -11.847 1.00 38.66 ? 304 SPD A C7 1 HETATM 1945 C C8 . SPD E 4 . ? -15.994 -15.053 -12.536 1.00 36.36 ? 304 SPD A C8 1 HETATM 1946 C C9 . SPD E 4 . ? -17.423 -15.087 -13.086 1.00 35.07 ? 304 SPD A C9 1 HETATM 1947 N N10 . SPD E 4 . ? -18.411 -14.839 -12.058 1.00 34.12 ? 304 SPD A N10 1 HETATM 1948 O O . HOH F 5 . ? -5.575 -23.774 -15.228 1.00 29.42 ? 401 HOH A O 1 HETATM 1949 O O . HOH F 5 . ? -1.049 -3.481 -18.097 1.00 52.98 ? 402 HOH A O 1 HETATM 1950 O O . HOH F 5 . ? -3.816 -10.991 -20.406 1.00 30.35 ? 403 HOH A O 1 HETATM 1951 O O . HOH F 5 . ? -29.820 -5.566 -2.023 1.00 45.88 ? 404 HOH A O 1 HETATM 1952 O O . HOH F 5 . ? -8.607 -11.839 -29.663 1.00 37.20 ? 405 HOH A O 1 HETATM 1953 O O . HOH F 5 . ? -38.547 -6.973 0.188 1.00 36.95 ? 406 HOH A O 1 HETATM 1954 O O . HOH F 5 . ? -23.000 -1.526 -27.743 1.00 27.89 ? 407 HOH A O 1 HETATM 1955 O O . HOH F 5 . ? 1.483 -16.525 -15.446 1.00 30.56 ? 408 HOH A O 1 HETATM 1956 O O . HOH F 5 . ? -0.165 -22.768 -18.746 1.00 25.44 ? 409 HOH A O 1 HETATM 1957 O O . HOH F 5 . ? -4.813 -18.427 -6.083 1.00 35.97 ? 410 HOH A O 1 HETATM 1958 O O . HOH F 5 . ? -24.923 -11.074 -28.231 1.00 30.21 ? 411 HOH A O 1 HETATM 1959 O O . HOH F 5 . ? -22.967 -4.438 -28.407 1.00 28.62 ? 412 HOH A O 1 HETATM 1960 O O . HOH F 5 . ? -15.037 -3.228 -7.943 1.00 25.26 ? 413 HOH A O 1 HETATM 1961 O O . HOH F 5 . ? -10.930 -24.782 -28.676 1.00 40.56 ? 414 HOH A O 1 HETATM 1962 O O . HOH F 5 . ? -33.452 -14.429 -15.921 1.00 47.40 ? 415 HOH A O 1 HETATM 1963 O O . HOH F 5 . ? -41.281 -22.783 -7.756 1.00 38.62 ? 416 HOH A O 1 HETATM 1964 O O . HOH F 5 . ? -22.807 -0.560 -7.647 1.00 33.39 ? 417 HOH A O 1 HETATM 1965 O O . HOH F 5 . ? -5.021 -22.530 -25.347 1.00 26.34 ? 418 HOH A O 1 HETATM 1966 O O . HOH F 5 . ? -30.266 2.320 -14.028 1.00 48.99 ? 419 HOH A O 1 HETATM 1967 O O . HOH F 5 . ? 3.329 -11.868 -13.804 1.00 25.54 ? 420 HOH A O 1 HETATM 1968 O O . HOH F 5 . ? -14.832 -26.429 -16.088 1.00 30.44 ? 421 HOH A O 1 HETATM 1969 O O . HOH F 5 . ? 2.315 -7.821 -13.503 1.00 29.78 ? 422 HOH A O 1 HETATM 1970 O O . HOH F 5 . ? -23.166 -16.916 -0.549 1.00 29.04 ? 423 HOH A O 1 HETATM 1971 O O . HOH F 5 . ? -26.831 -24.083 -16.688 1.00 25.19 ? 424 HOH A O 1 HETATM 1972 O O . HOH F 5 . ? -23.951 3.303 -6.356 1.00 35.08 ? 425 HOH A O 1 HETATM 1973 O O . HOH F 5 . ? -41.213 -21.440 -10.799 1.00 34.52 ? 426 HOH A O 1 HETATM 1974 O O . HOH F 5 . ? -25.566 -24.913 -11.281 1.00 25.62 ? 427 HOH A O 1 HETATM 1975 O O . HOH F 5 . ? 0.129 -9.192 -8.298 1.00 30.41 ? 428 HOH A O 1 HETATM 1976 O O . HOH F 5 . ? -11.458 0.667 -12.526 1.00 23.88 ? 429 HOH A O 1 HETATM 1977 O O . HOH F 5 . ? -12.802 -21.957 -28.476 1.00 32.71 ? 430 HOH A O 1 HETATM 1978 O O . HOH F 5 . ? -43.372 -25.597 0.110 1.00 38.33 ? 431 HOH A O 1 HETATM 1979 O O . HOH F 5 . ? 3.015 -9.700 -15.462 1.00 24.14 ? 432 HOH A O 1 HETATM 1980 O O . HOH F 5 . ? -22.748 -0.195 -30.053 1.00 37.05 ? 433 HOH A O 1 HETATM 1981 O O . HOH F 5 . ? -2.390 -11.450 -25.634 1.00 37.84 ? 434 HOH A O 1 HETATM 1982 O O . HOH F 5 . ? -20.520 -19.974 -26.933 1.00 34.04 ? 435 HOH A O 1 HETATM 1983 O O . HOH F 5 . ? 0.025 -11.475 -10.112 1.00 34.28 ? 436 HOH A O 1 HETATM 1984 O O . HOH F 5 . ? -6.648 -24.407 -24.513 1.00 30.98 ? 437 HOH A O 1 HETATM 1985 O O . HOH F 5 . ? -16.558 -1.756 -29.635 1.00 27.95 ? 438 HOH A O 1 HETATM 1986 O O . HOH F 5 . ? -7.775 -2.375 -16.217 1.00 41.02 ? 439 HOH A O 1 HETATM 1987 O O . HOH F 5 . ? -3.626 -14.038 -4.999 1.00 32.53 ? 440 HOH A O 1 HETATM 1988 O O . HOH F 5 . ? -10.330 1.239 -26.599 1.00 37.21 ? 441 HOH A O 1 HETATM 1989 O O . HOH F 5 . ? -8.346 -7.474 -31.213 1.00 37.33 ? 442 HOH A O 1 HETATM 1990 O O . HOH F 5 . ? -32.845 -10.440 -18.861 1.00 33.54 ? 443 HOH A O 1 HETATM 1991 O O . HOH F 5 . ? -28.761 1.670 -4.737 1.00 43.62 ? 444 HOH A O 1 HETATM 1992 O O . HOH F 5 . ? -36.417 -24.796 -20.022 1.00 51.30 ? 445 HOH A O 1 HETATM 1993 O O . HOH F 5 . ? -40.064 -24.767 -14.460 1.00 34.74 ? 446 HOH A O 1 HETATM 1994 O O . HOH F 5 . ? -4.671 -4.484 -10.531 1.00 28.85 ? 447 HOH A O 1 HETATM 1995 O O . HOH F 5 . ? -39.251 -14.933 -7.623 1.00 33.47 ? 448 HOH A O 1 HETATM 1996 O O . HOH F 5 . ? -21.461 7.250 -12.352 1.00 39.73 ? 449 HOH A O 1 HETATM 1997 O O . HOH F 5 . ? -32.596 -26.477 -14.683 1.00 35.08 ? 450 HOH A O 1 HETATM 1998 O O . HOH F 5 . ? -28.378 -15.330 -26.022 1.00 29.42 ? 451 HOH A O 1 HETATM 1999 O O . HOH F 5 . ? -25.484 -8.044 -27.185 1.00 38.00 ? 452 HOH A O 1 HETATM 2000 O O . HOH F 5 . ? -21.690 -16.163 -3.857 1.00 35.06 ? 453 HOH A O 1 HETATM 2001 O O . HOH F 5 . ? -3.071 -8.626 -18.748 1.00 24.94 ? 454 HOH A O 1 HETATM 2002 O O . HOH F 5 . ? -20.728 3.498 -4.678 1.00 36.94 ? 455 HOH A O 1 HETATM 2003 O O . HOH F 5 . ? -37.765 -11.861 3.466 1.00 36.94 ? 456 HOH A O 1 HETATM 2004 O O . HOH F 5 . ? -6.410 -17.728 -31.736 1.00 43.91 ? 457 HOH A O 1 HETATM 2005 O O . HOH F 5 . ? -16.577 -29.493 -19.441 1.00 36.95 ? 458 HOH A O 1 HETATM 2006 O O . HOH F 5 . ? -25.381 -5.236 -27.027 1.00 29.15 ? 459 HOH A O 1 HETATM 2007 O O . HOH F 5 . ? -31.448 -29.715 -10.868 1.00 34.29 ? 460 HOH A O 1 HETATM 2008 O O . HOH F 5 . ? -2.362 -22.740 -26.659 1.00 37.87 ? 461 HOH A O 1 HETATM 2009 O O . HOH F 5 . ? -22.715 7.241 -16.397 1.00 33.34 ? 462 HOH A O 1 HETATM 2010 O O . HOH F 5 . ? -27.430 -20.812 2.783 1.00 38.50 ? 463 HOH A O 1 HETATM 2011 O O . HOH F 5 . ? -16.318 -8.596 0.458 1.00 40.04 ? 464 HOH A O 1 HETATM 2012 O O . HOH F 5 . ? -25.522 -0.031 -0.709 1.00 40.21 ? 465 HOH A O 1 HETATM 2013 O O . HOH F 5 . ? -24.477 -18.758 -27.012 1.00 45.90 ? 466 HOH A O 1 HETATM 2014 O O . HOH F 5 . ? -18.859 4.973 -27.496 1.00 33.97 ? 467 HOH A O 1 HETATM 2015 O O . HOH F 5 . ? -0.098 -13.411 -8.166 1.00 40.05 ? 468 HOH A O 1 HETATM 2016 O O . HOH F 5 . ? -36.346 -27.557 2.563 1.00 37.92 ? 469 HOH A O 1 HETATM 2017 O O . HOH F 5 . ? -8.396 0.620 -9.088 1.00 35.29 ? 470 HOH A O 1 HETATM 2018 O O . HOH F 5 . ? 3.980 -21.259 -28.280 1.00 40.17 ? 471 HOH A O 1 HETATM 2019 O O . HOH F 5 . ? -11.685 -25.070 -9.714 1.00 38.13 ? 472 HOH A O 1 HETATM 2020 O O . HOH F 5 . ? -8.891 -10.536 -0.469 1.00 47.41 ? 473 HOH A O 1 HETATM 2021 O O . HOH F 5 . ? 2.697 -7.331 -21.915 1.00 47.67 ? 474 HOH A O 1 HETATM 2022 O O . HOH F 5 . ? -8.694 -30.160 -13.800 1.00 40.79 ? 475 HOH A O 1 HETATM 2023 O O . HOH F 5 . ? -5.857 -3.088 -13.912 1.00 35.33 ? 476 HOH A O 1 HETATM 2024 O O . HOH F 5 . ? -13.987 -11.909 -30.103 1.00 43.65 ? 477 HOH A O 1 HETATM 2025 O O . HOH F 5 . ? -16.366 -23.747 -12.360 1.00 45.96 ? 478 HOH A O 1 HETATM 2026 O O . HOH F 5 . ? -5.523 -26.520 -11.451 1.00 41.21 ? 479 HOH A O 1 HETATM 2027 O O . HOH F 5 . ? -31.893 -3.039 -23.104 1.00 41.10 ? 480 HOH A O 1 HETATM 2028 O O . HOH F 5 . ? -33.342 -12.952 -19.999 1.00 47.63 ? 481 HOH A O 1 HETATM 2029 O O . HOH F 5 . ? -15.854 5.859 -7.109 1.00 30.25 ? 482 HOH A O 1 HETATM 2030 O O . HOH F 5 . ? -43.606 -17.340 1.646 1.00 39.72 ? 483 HOH A O 1 HETATM 2031 O O . HOH F 5 . ? 1.284 -10.422 -23.872 1.00 40.53 ? 484 HOH A O 1 HETATM 2032 O O . HOH F 5 . ? -29.660 4.232 -23.625 1.00 38.02 ? 485 HOH A O 1 HETATM 2033 O O . HOH F 5 . ? -25.767 -13.656 -29.256 1.00 49.72 ? 486 HOH A O 1 HETATM 2034 O O . HOH F 5 . ? -1.124 -12.464 -5.584 1.00 44.40 ? 487 HOH A O 1 HETATM 2035 O O . HOH F 5 . ? -3.828 -18.550 -32.394 1.00 41.54 ? 488 HOH A O 1 HETATM 2036 O O . HOH F 5 . ? -32.578 -28.787 -13.136 1.00 45.27 ? 489 HOH A O 1 HETATM 2037 O O . HOH F 5 . ? -6.192 -0.060 -19.917 1.00 40.71 ? 490 HOH A O 1 HETATM 2038 O O . HOH F 5 . ? -23.131 3.810 -3.408 1.00 39.60 ? 491 HOH A O 1 HETATM 2039 O O . HOH F 5 . ? -22.521 1.951 -0.852 1.00 44.59 ? 492 HOH A O 1 HETATM 2040 O O . HOH F 5 . ? -20.548 -13.782 -6.545 1.00 38.75 ? 493 HOH A O 1 HETATM 2041 O O . HOH F 5 . ? -36.980 -8.157 -12.730 1.00 53.72 ? 494 HOH A O 1 HETATM 2042 O O . HOH F 5 . ? -22.337 -6.781 -30.047 1.00 40.85 ? 495 HOH A O 1 HETATM 2043 O O . HOH F 5 . ? -1.204 -13.355 -28.216 1.00 47.97 ? 496 HOH A O 1 HETATM 2044 O O . HOH F 5 . ? -36.224 -17.845 7.447 1.00 41.52 ? 497 HOH A O 1 HETATM 2045 O O . HOH F 5 . ? 1.274 -4.047 -13.162 1.00 40.39 ? 498 HOH A O 1 HETATM 2046 O O . HOH F 5 . ? -8.087 -2.281 -12.150 1.00 42.83 ? 499 HOH A O 1 HETATM 2047 O O . HOH F 5 . ? -17.080 -4.465 -33.758 1.00 50.06 ? 500 HOH A O 1 HETATM 2048 O O . HOH F 5 . ? -20.702 -21.969 -3.947 1.00 44.43 ? 501 HOH A O 1 HETATM 2049 O O . HOH F 5 . ? -6.248 -6.044 -1.093 1.00 48.71 ? 502 HOH A O 1 HETATM 2050 O O . HOH F 5 . ? -29.898 0.039 -9.154 1.00 55.43 ? 503 HOH A O 1 HETATM 2051 O O . HOH F 5 . ? -43.384 -8.494 9.228 1.00 58.41 ? 504 HOH A O 1 HETATM 2052 O O . HOH F 5 . ? -23.157 6.082 -10.454 1.00 48.27 ? 505 HOH A O 1 HETATM 2053 O O . HOH F 5 . ? -8.841 -11.289 -32.545 1.00 43.84 ? 506 HOH A O 1 HETATM 2054 O O . HOH F 5 . ? -47.640 -23.186 1.073 1.00 50.24 ? 507 HOH A O 1 HETATM 2055 O O . HOH F 5 . ? -33.935 -7.593 -19.843 1.00 46.59 ? 508 HOH A O 1 HETATM 2056 O O . HOH F 5 . ? -17.223 -24.061 -25.624 1.00 43.08 ? 509 HOH A O 1 HETATM 2057 O O . HOH F 5 . ? -9.319 5.620 -28.917 1.00 36.85 ? 510 HOH A O 1 HETATM 2058 O O . HOH F 5 . ? -32.122 -2.585 -19.596 1.00 50.95 ? 511 HOH A O 1 HETATM 2059 O O . HOH F 5 . ? -42.580 -27.462 -3.841 1.00 44.51 ? 512 HOH A O 1 HETATM 2060 O O . HOH F 5 . ? -33.630 -6.438 -4.385 1.00 37.74 ? 513 HOH A O 1 HETATM 2061 O O . HOH F 5 . ? -31.226 -18.359 -18.138 1.00 51.93 ? 514 HOH A O 1 HETATM 2062 O O . HOH F 5 . ? -2.595 -3.651 -23.056 1.00 51.62 ? 515 HOH A O 1 HETATM 2063 O O . HOH F 5 . ? -43.603 -24.070 7.016 1.00 48.30 ? 516 HOH A O 1 HETATM 2064 O O . HOH F 5 . ? -26.875 -17.200 -27.125 1.00 50.34 ? 517 HOH A O 1 HETATM 2065 O O . HOH F 5 . ? -24.664 -13.371 2.676 1.00 50.21 ? 518 HOH A O 1 HETATM 2066 O O . HOH F 5 . ? -13.407 -19.424 -8.798 1.00 61.00 ? 519 HOH A O 1 HETATM 2067 O O . HOH F 5 . ? -20.899 -29.143 -12.509 1.00 46.29 ? 520 HOH A O 1 HETATM 2068 O O . HOH F 5 . ? -6.998 -0.681 -27.956 1.00 37.52 ? 521 HOH A O 1 HETATM 2069 O O . HOH F 5 . ? -35.578 -27.939 -7.995 1.00 52.83 ? 522 HOH A O 1 HETATM 2070 O O . HOH F 5 . ? -15.091 -22.394 -8.459 1.00 63.35 ? 523 HOH A O 1 HETATM 2071 O O . HOH F 5 . ? -38.857 -16.015 -15.648 1.00 43.28 ? 524 HOH A O 1 HETATM 2072 O O . HOH F 5 . ? 1.556 -14.341 -6.121 1.00 57.78 ? 525 HOH A O 1 HETATM 2073 O O . HOH F 5 . ? -31.648 -20.169 -21.663 1.00 42.93 ? 526 HOH A O 1 HETATM 2074 O O . HOH F 5 . ? -26.256 -13.993 4.916 1.00 44.37 ? 527 HOH A O 1 HETATM 2075 O O . HOH F 5 . ? -5.247 -7.101 -30.364 1.00 49.08 ? 528 HOH A O 1 HETATM 2076 O O . HOH F 5 . ? -23.637 -33.604 -17.499 1.00 49.54 ? 529 HOH A O 1 HETATM 2077 O O . HOH F 5 . ? -26.381 -27.588 -1.124 1.00 47.86 ? 530 HOH A O 1 HETATM 2078 O O . HOH F 5 . ? -32.508 -27.967 -6.616 1.00 35.64 ? 531 HOH A O 1 HETATM 2079 O O . HOH F 5 . ? -15.683 -18.820 -5.803 1.00 52.01 ? 532 HOH A O 1 HETATM 2080 O O . HOH F 5 . ? -29.806 -22.956 10.147 1.00 52.11 ? 533 HOH A O 1 HETATM 2081 O O . HOH F 5 . ? -21.224 -30.458 -25.012 1.00 51.44 ? 534 HOH A O 1 HETATM 2082 O O . HOH F 5 . ? -22.886 -17.361 -31.835 1.00 52.76 ? 535 HOH A O 1 HETATM 2083 O O . HOH F 5 . ? -32.365 -2.597 -16.547 1.00 46.48 ? 536 HOH A O 1 HETATM 2084 O O . HOH F 5 . ? -2.852 -22.869 -34.077 1.00 52.85 ? 537 HOH A O 1 HETATM 2085 O O . HOH F 5 . ? -38.222 -22.908 8.311 1.00 48.62 ? 538 HOH A O 1 HETATM 2086 O O . HOH F 5 . ? -43.014 -11.425 9.660 1.00 55.87 ? 539 HOH A O 1 HETATM 2087 O O . HOH F 5 . ? -24.818 -20.915 -24.987 1.00 49.22 ? 540 HOH A O 1 HETATM 2088 O O . HOH F 5 . ? -20.515 11.727 -8.582 1.00 51.05 ? 541 HOH A O 1 HETATM 2089 O O . HOH F 5 . ? -2.590 -16.492 -5.914 1.00 49.07 ? 542 HOH A O 1 HETATM 2090 O O . HOH F 5 . ? -17.442 0.036 -2.508 1.00 47.31 ? 543 HOH A O 1 HETATM 2091 O O . HOH F 5 . ? -27.024 4.012 -6.979 1.00 50.82 ? 544 HOH A O 1 HETATM 2092 O O . HOH F 5 . ? -23.540 -12.167 -30.579 1.00 55.72 ? 545 HOH A O 1 HETATM 2093 O O . HOH F 5 . ? -17.654 2.307 -0.804 1.00 52.52 ? 546 HOH A O 1 HETATM 2094 O O . HOH F 5 . ? -4.390 -21.124 -7.156 1.00 51.08 ? 547 HOH A O 1 HETATM 2095 O O . HOH F 5 . ? -20.449 -7.382 2.207 1.00 57.59 ? 548 HOH A O 1 HETATM 2096 O O . HOH F 5 . ? -7.972 -7.987 -0.178 1.00 46.66 ? 549 HOH A O 1 HETATM 2097 O O . HOH F 5 . ? -31.378 -6.887 -19.591 1.00 32.30 ? 550 HOH A O 1 HETATM 2098 O O . HOH F 5 . ? -19.998 -16.349 -6.713 1.00 48.14 ? 551 HOH A O 1 HETATM 2099 O O . HOH F 5 . ? -10.883 -13.328 -29.351 1.00 48.87 ? 552 HOH A O 1 HETATM 2100 O O . HOH F 5 . ? -4.289 -23.582 -17.600 1.00 39.29 ? 553 HOH A O 1 HETATM 2101 O O . HOH F 5 . ? -3.981 -24.669 -13.210 1.00 32.96 ? 554 HOH A O 1 HETATM 2102 O O . HOH F 5 . ? -3.271 -1.937 -17.853 1.00 39.23 ? 555 HOH A O 1 HETATM 2103 O O . HOH F 5 . ? -17.387 8.232 -9.450 1.00 36.65 ? 556 HOH A O 1 HETATM 2104 O O . HOH F 5 . ? -22.992 10.177 -16.445 1.00 41.89 ? 557 HOH A O 1 HETATM 2105 O O . HOH F 5 . ? -21.025 12.313 -15.126 1.00 40.96 ? 558 HOH A O 1 HETATM 2106 O O . HOH F 5 . ? -7.836 -32.790 -29.183 1.00 38.30 ? 559 HOH A O 1 HETATM 2107 O O . HOH F 5 . ? -41.210 -24.851 8.283 1.00 46.19 ? 560 HOH A O 1 HETATM 2108 O O . HOH F 5 . ? -24.787 -8.608 -30.162 1.00 49.93 ? 561 HOH A O 1 HETATM 2109 O O . HOH F 5 . ? -36.344 -14.949 -16.439 1.00 48.24 ? 562 HOH A O 1 HETATM 2110 O O . HOH F 5 . ? -33.452 -4.978 -8.594 1.00 48.59 ? 563 HOH A O 1 HETATM 2111 O O . HOH F 5 . ? -13.396 -7.686 -0.030 1.00 50.10 ? 564 HOH A O 1 HETATM 2112 O O . HOH F 5 . ? -10.419 -1.971 -15.664 1.00 40.06 ? 565 HOH A O 1 HETATM 2113 O O . HOH F 5 . ? -24.882 -16.228 2.008 1.00 39.14 ? 566 HOH A O 1 HETATM 2114 O O . HOH F 5 . ? -16.267 -2.134 -32.420 1.00 43.31 ? 567 HOH A O 1 HETATM 2115 O O . HOH F 5 . ? -14.555 0.187 -33.145 1.00 53.94 ? 568 HOH A O 1 HETATM 2116 O O . HOH F 5 . ? -20.500 -24.024 -2.099 1.00 51.94 ? 569 HOH A O 1 HETATM 2117 O O . HOH F 5 . ? -3.509 -26.249 -18.139 1.00 53.83 ? 570 HOH A O 1 HETATM 2118 O O . HOH F 5 . ? -8.198 -31.354 -24.422 1.00 50.13 ? 571 HOH A O 1 HETATM 2119 O O . HOH F 5 . ? -13.421 -18.732 -11.622 1.00 47.29 ? 572 HOH A O 1 HETATM 2120 O O . HOH F 5 . ? -1.842 -7.748 -1.682 1.00 44.95 ? 573 HOH A O 1 HETATM 2121 O O . HOH F 5 . ? -29.976 -23.695 5.367 1.00 41.62 ? 574 HOH A O 1 HETATM 2122 O O . HOH F 5 . ? -31.551 -12.467 -25.875 1.00 45.53 ? 575 HOH A O 1 HETATM 2123 O O . HOH F 5 . ? -26.716 -3.761 -28.992 1.00 40.17 ? 576 HOH A O 1 HETATM 2124 O O . HOH F 5 . ? -2.129 -19.362 -7.988 1.00 45.08 ? 577 HOH A O 1 HETATM 2125 O O . HOH F 5 . ? -40.811 -15.321 -5.285 1.00 40.70 ? 578 HOH A O 1 HETATM 2126 O O . HOH F 5 . ? -26.305 6.232 -17.635 1.00 49.53 ? 579 HOH A O 1 HETATM 2127 O O . HOH F 5 . ? -32.382 -2.372 -2.128 1.00 50.43 ? 580 HOH A O 1 HETATM 2128 O O . HOH F 5 . ? -29.829 -21.677 -23.946 1.00 49.89 ? 581 HOH A O 1 HETATM 2129 O O . HOH F 5 . ? -31.538 -27.324 -21.142 1.00 48.73 ? 582 HOH A O 1 HETATM 2130 O O . HOH F 5 . ? -28.618 1.074 -27.984 1.00 51.37 ? 583 HOH A O 1 HETATM 2131 O O . HOH F 5 . ? -25.639 3.544 1.121 1.00 52.40 ? 584 HOH A O 1 HETATM 2132 O O . HOH F 5 . ? -1.811 -4.555 -20.386 1.00 38.54 ? 585 HOH A O 1 HETATM 2133 O O . HOH F 5 . ? -43.536 -6.604 4.109 1.00 50.28 ? 586 HOH A O 1 HETATM 2134 O O . HOH F 5 . ? -18.622 -14.493 -4.642 1.00 43.70 ? 587 HOH A O 1 HETATM 2135 O O . HOH F 5 . ? -22.292 -25.874 1.134 1.00 52.55 ? 588 HOH A O 1 HETATM 2136 O O . HOH F 5 . ? -31.970 -31.179 -17.380 1.00 52.59 ? 589 HOH A O 1 HETATM 2137 O O . HOH F 5 . ? -11.074 -32.887 -26.029 1.00 51.63 ? 590 HOH A O 1 HETATM 2138 O O . HOH F 5 . ? -0.235 -6.199 -6.314 1.00 42.96 ? 591 HOH A O 1 HETATM 2139 O O . HOH F 5 . ? -8.973 -2.372 -34.107 1.00 53.41 ? 592 HOH A O 1 HETATM 2140 O O . HOH F 5 . ? -19.675 -24.948 -9.067 1.00 50.95 ? 593 HOH A O 1 HETATM 2141 O O . HOH F 5 . ? -26.906 -16.565 6.081 1.00 55.81 ? 594 HOH A O 1 HETATM 2142 O O . HOH F 5 . ? -36.190 -20.740 9.283 1.00 54.66 ? 595 HOH A O 1 HETATM 2143 O O . HOH F 5 . ? -4.701 -1.126 -1.195 1.00 50.96 ? 596 HOH A O 1 HETATM 2144 O O . HOH F 5 . ? -13.987 -4.896 -34.375 1.00 50.36 ? 597 HOH A O 1 HETATM 2145 O O . HOH F 5 . ? -25.263 2.688 -1.633 1.00 64.18 ? 598 HOH A O 1 HETATM 2146 O O . HOH F 5 . ? -16.985 -19.407 -31.784 1.00 51.97 ? 599 HOH A O 1 HETATM 2147 O O . HOH F 5 . ? -11.442 4.059 -4.851 1.00 51.26 ? 600 HOH A O 1 HETATM 2148 O O . HOH F 5 . ? -20.395 -26.302 -11.740 1.00 46.04 ? 601 HOH A O 1 HETATM 2149 O O . HOH F 5 . ? -28.170 4.832 6.188 1.00 42.41 ? 602 HOH A O 1 HETATM 2150 O O . HOH F 5 . ? -15.045 -24.050 -27.973 1.00 49.83 ? 603 HOH A O 1 HETATM 2151 O O . HOH F 5 . ? -3.630 -8.963 -28.166 1.00 47.69 ? 604 HOH A O 1 HETATM 2152 O O . HOH F 5 . ? -14.331 3.117 -32.782 1.00 44.10 ? 605 HOH A O 1 HETATM 2153 O O . HOH F 5 . ? -22.074 -5.772 -34.692 1.00 47.85 ? 606 HOH A O 1 HETATM 2154 O O . HOH F 5 . ? -34.117 -1.000 -25.700 1.00 48.53 ? 607 HOH A O 1 HETATM 2155 O O . HOH F 5 . ? -34.252 -6.685 8.195 1.00 46.21 ? 608 HOH A O 1 HETATM 2156 O O . HOH F 5 . ? -24.878 5.086 -29.011 1.00 45.30 ? 609 HOH A O 1 HETATM 2157 O O . HOH F 5 . ? -33.517 -17.118 -19.506 1.00 48.14 ? 610 HOH A O 1 HETATM 2158 O O . HOH F 5 . ? -30.588 3.241 -27.236 1.00 47.49 ? 611 HOH A O 1 HETATM 2159 O O . HOH F 5 . ? -22.774 -23.424 -24.399 1.00 44.72 ? 612 HOH A O 1 HETATM 2160 O O . HOH F 5 . ? -13.452 -15.343 -2.739 1.00 44.50 ? 613 HOH A O 1 HETATM 2161 O O . HOH F 5 . ? -14.842 -13.306 -1.332 1.00 43.04 ? 614 HOH A O 1 HETATM 2162 O O . HOH F 5 . ? -9.484 1.362 -23.998 1.00 49.70 ? 615 HOH A O 1 HETATM 2163 O O . HOH F 5 . ? -17.600 -13.581 -2.317 1.00 41.56 ? 616 HOH A O 1 HETATM 2164 O O . HOH F 5 . ? -18.716 -14.619 -9.344 1.00 38.30 ? 617 HOH A O 1 HETATM 2165 O O . HOH F 5 . ? -11.741 -20.755 -6.197 1.00 44.55 ? 618 HOH A O 1 HETATM 2166 O O . HOH F 5 . ? -20.604 -18.666 -6.130 1.00 37.94 ? 619 HOH A O 1 HETATM 2167 O O . HOH F 5 . ? -36.069 -16.556 -18.724 1.00 43.09 ? 620 HOH A O 1 HETATM 2168 O O . HOH F 5 . ? -44.352 -24.606 -2.475 1.00 44.90 ? 621 HOH A O 1 HETATM 2169 O O . HOH F 5 . ? -10.204 -33.564 -23.355 1.00 43.76 ? 622 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 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 77 ? ? 56.61 -106.97 2 1 PRO A 106 ? ? -86.94 39.87 3 1 THR A 158 ? ? -118.34 -82.12 4 1 ASN A 236 ? ? -91.10 -67.17 # 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 SPERMIDINE SPD 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 1 302 302 GOL GOL A . D 3 GOL 1 303 303 GOL GOL A . E 4 SPD 1 304 1 SPD SPD A . F 5 HOH 1 401 401 HOH HOH A . F 5 HOH 2 402 402 HOH HOH A . F 5 HOH 3 403 403 HOH HOH A . F 5 HOH 4 404 404 HOH HOH A . F 5 HOH 5 405 405 HOH HOH A . F 5 HOH 6 406 406 HOH HOH A . F 5 HOH 7 407 407 HOH HOH A . F 5 HOH 8 408 408 HOH HOH A . F 5 HOH 9 409 409 HOH HOH A . F 5 HOH 10 410 410 HOH HOH A . F 5 HOH 11 411 411 HOH HOH A . F 5 HOH 12 412 412 HOH HOH A . F 5 HOH 13 413 413 HOH HOH A . F 5 HOH 14 414 414 HOH HOH A . F 5 HOH 15 415 415 HOH HOH A . F 5 HOH 16 416 416 HOH HOH A . F 5 HOH 17 417 417 HOH HOH A . F 5 HOH 18 418 418 HOH HOH A . F 5 HOH 19 419 419 HOH HOH A . F 5 HOH 20 420 420 HOH HOH A . F 5 HOH 21 421 421 HOH HOH A . F 5 HOH 22 422 422 HOH HOH A . F 5 HOH 23 423 423 HOH HOH A . F 5 HOH 24 424 424 HOH HOH A . F 5 HOH 25 425 425 HOH HOH A . F 5 HOH 26 426 426 HOH HOH A . F 5 HOH 27 427 427 HOH HOH A . F 5 HOH 28 428 428 HOH HOH A . F 5 HOH 29 429 429 HOH HOH A . F 5 HOH 30 430 430 HOH HOH A . F 5 HOH 31 431 431 HOH HOH A . F 5 HOH 32 432 432 HOH HOH A . F 5 HOH 33 433 433 HOH HOH A . F 5 HOH 34 434 434 HOH HOH A . F 5 HOH 35 435 435 HOH HOH A . F 5 HOH 36 436 436 HOH HOH A . F 5 HOH 37 437 437 HOH HOH A . F 5 HOH 38 438 438 HOH HOH A . F 5 HOH 39 439 439 HOH HOH A . F 5 HOH 40 440 440 HOH HOH A . F 5 HOH 41 441 441 HOH HOH A . F 5 HOH 42 442 442 HOH HOH A . F 5 HOH 43 443 443 HOH HOH A . F 5 HOH 44 444 444 HOH HOH A . F 5 HOH 45 445 445 HOH HOH A . F 5 HOH 46 446 446 HOH HOH A . F 5 HOH 47 447 447 HOH HOH A . F 5 HOH 48 448 448 HOH HOH A . F 5 HOH 49 449 449 HOH HOH A . F 5 HOH 50 450 450 HOH HOH A . F 5 HOH 51 451 451 HOH HOH A . F 5 HOH 52 452 452 HOH HOH A . F 5 HOH 53 453 453 HOH HOH A . F 5 HOH 54 454 454 HOH HOH A . F 5 HOH 55 455 455 HOH HOH A . F 5 HOH 56 456 456 HOH HOH A . F 5 HOH 57 457 457 HOH HOH A . F 5 HOH 58 458 458 HOH HOH A . F 5 HOH 59 459 459 HOH HOH A . F 5 HOH 60 460 460 HOH HOH A . F 5 HOH 61 461 461 HOH HOH A . F 5 HOH 62 462 462 HOH HOH A . F 5 HOH 63 463 463 HOH HOH A . F 5 HOH 64 464 464 HOH HOH A . F 5 HOH 65 465 465 HOH HOH A . F 5 HOH 66 466 466 HOH HOH A . F 5 HOH 67 467 467 HOH HOH A . F 5 HOH 68 468 468 HOH HOH A . F 5 HOH 69 469 469 HOH HOH A . F 5 HOH 70 470 470 HOH HOH A . F 5 HOH 71 471 471 HOH HOH A . F 5 HOH 72 472 472 HOH HOH A . F 5 HOH 73 473 473 HOH HOH A . F 5 HOH 74 474 474 HOH HOH A . F 5 HOH 75 475 475 HOH HOH A . F 5 HOH 76 476 476 HOH HOH A . F 5 HOH 77 477 477 HOH HOH A . F 5 HOH 78 478 478 HOH HOH A . F 5 HOH 79 479 479 HOH HOH A . F 5 HOH 80 480 480 HOH HOH A . F 5 HOH 81 481 481 HOH HOH A . F 5 HOH 82 482 482 HOH HOH A . F 5 HOH 83 483 483 HOH HOH A . F 5 HOH 84 484 484 HOH HOH A . F 5 HOH 85 485 485 HOH HOH A . F 5 HOH 86 486 486 HOH HOH A . F 5 HOH 87 487 487 HOH HOH A . F 5 HOH 88 488 488 HOH HOH A . F 5 HOH 89 489 489 HOH HOH A . F 5 HOH 90 490 490 HOH HOH A . F 5 HOH 91 491 491 HOH HOH A . F 5 HOH 92 492 492 HOH HOH A . F 5 HOH 93 493 493 HOH HOH A . F 5 HOH 94 494 494 HOH HOH A . F 5 HOH 95 495 495 HOH HOH A . F 5 HOH 96 496 496 HOH HOH A . F 5 HOH 97 497 497 HOH HOH A . F 5 HOH 98 498 498 HOH HOH A . F 5 HOH 99 499 499 HOH HOH A . F 5 HOH 100 500 500 HOH HOH A . F 5 HOH 101 501 501 HOH HOH A . F 5 HOH 102 502 502 HOH HOH A . F 5 HOH 103 503 503 HOH HOH A . F 5 HOH 104 504 504 HOH HOH A . F 5 HOH 105 505 505 HOH HOH A . F 5 HOH 106 506 506 HOH HOH A . F 5 HOH 107 507 507 HOH HOH A . F 5 HOH 108 508 508 HOH HOH A . F 5 HOH 109 509 509 HOH HOH A . F 5 HOH 110 510 510 HOH HOH A . F 5 HOH 111 511 511 HOH HOH A . F 5 HOH 112 512 512 HOH HOH A . F 5 HOH 113 513 513 HOH HOH A . F 5 HOH 114 514 514 HOH HOH A . F 5 HOH 115 515 515 HOH HOH A . F 5 HOH 116 516 516 HOH HOH A . F 5 HOH 117 517 517 HOH HOH A . F 5 HOH 118 518 518 HOH HOH A . F 5 HOH 119 519 519 HOH HOH A . F 5 HOH 120 520 520 HOH HOH A . F 5 HOH 121 521 521 HOH HOH A . F 5 HOH 122 522 522 HOH HOH A . F 5 HOH 123 523 523 HOH HOH A . F 5 HOH 124 524 524 HOH HOH A . F 5 HOH 125 525 525 HOH HOH A . F 5 HOH 126 526 526 HOH HOH A . F 5 HOH 127 527 527 HOH HOH A . F 5 HOH 128 528 528 HOH HOH A . F 5 HOH 129 529 529 HOH HOH A . F 5 HOH 130 530 530 HOH HOH A . F 5 HOH 131 531 531 HOH HOH A . F 5 HOH 132 532 532 HOH HOH A . F 5 HOH 133 533 533 HOH HOH A . F 5 HOH 134 534 534 HOH HOH A . F 5 HOH 135 535 535 HOH HOH A . F 5 HOH 136 536 536 HOH HOH A . F 5 HOH 137 537 537 HOH HOH A . F 5 HOH 138 538 538 HOH HOH A . F 5 HOH 139 539 539 HOH HOH A . F 5 HOH 140 540 540 HOH HOH A . F 5 HOH 141 541 541 HOH HOH A . F 5 HOH 142 542 542 HOH HOH A . F 5 HOH 143 543 543 HOH HOH A . F 5 HOH 144 544 544 HOH HOH A . F 5 HOH 145 545 545 HOH HOH A . F 5 HOH 146 546 546 HOH HOH A . F 5 HOH 147 547 547 HOH HOH A . F 5 HOH 148 548 548 HOH HOH A . F 5 HOH 149 549 550 HOH HOH A . F 5 HOH 150 550 551 HOH HOH A . F 5 HOH 151 551 552 HOH HOH A . F 5 HOH 152 552 553 HOH HOH A . F 5 HOH 153 553 554 HOH HOH A . F 5 HOH 154 554 555 HOH HOH A . F 5 HOH 155 555 556 HOH HOH A . F 5 HOH 156 556 557 HOH HOH A . F 5 HOH 157 557 558 HOH HOH A . F 5 HOH 158 558 559 HOH HOH A . F 5 HOH 159 559 560 HOH HOH A . F 5 HOH 160 560 561 HOH HOH A . F 5 HOH 161 561 562 HOH HOH A . F 5 HOH 162 562 563 HOH HOH A . F 5 HOH 163 563 564 HOH HOH A . F 5 HOH 164 564 565 HOH HOH A . F 5 HOH 165 565 566 HOH HOH A . F 5 HOH 166 566 568 HOH HOH A . F 5 HOH 167 567 569 HOH HOH A . F 5 HOH 168 568 570 HOH HOH A . F 5 HOH 169 569 571 HOH HOH A . F 5 HOH 170 570 572 HOH HOH A . F 5 HOH 171 571 573 HOH HOH A . F 5 HOH 172 572 574 HOH HOH A . F 5 HOH 173 573 575 HOH HOH A . F 5 HOH 174 574 576 HOH HOH A . F 5 HOH 175 575 577 HOH HOH A . F 5 HOH 176 576 578 HOH HOH A . F 5 HOH 177 577 579 HOH HOH A . F 5 HOH 178 578 580 HOH HOH A . F 5 HOH 179 579 581 HOH HOH A . F 5 HOH 180 580 582 HOH HOH A . F 5 HOH 181 581 583 HOH HOH A . F 5 HOH 182 582 584 HOH HOH A . F 5 HOH 183 583 585 HOH HOH A . F 5 HOH 184 584 586 HOH HOH A . F 5 HOH 185 585 587 HOH HOH A . F 5 HOH 186 586 588 HOH HOH A . F 5 HOH 187 587 589 HOH HOH A . F 5 HOH 188 588 590 HOH HOH A . F 5 HOH 189 589 591 HOH HOH A . F 5 HOH 190 590 592 HOH HOH A . F 5 HOH 191 591 593 HOH HOH A . F 5 HOH 192 592 594 HOH HOH A . F 5 HOH 193 593 595 HOH HOH A . F 5 HOH 194 594 596 HOH HOH A . F 5 HOH 195 595 597 HOH HOH A . F 5 HOH 196 596 598 HOH HOH A . F 5 HOH 197 597 599 HOH HOH A . F 5 HOH 198 598 600 HOH HOH A . F 5 HOH 199 599 601 HOH HOH A . F 5 HOH 200 600 602 HOH HOH A . F 5 HOH 201 601 603 HOH HOH A . F 5 HOH 202 602 604 HOH HOH A . F 5 HOH 203 603 605 HOH HOH A . F 5 HOH 204 604 606 HOH HOH A . F 5 HOH 205 605 607 HOH HOH A . F 5 HOH 206 606 608 HOH HOH A . F 5 HOH 207 607 609 HOH HOH A . F 5 HOH 208 608 610 HOH HOH A . F 5 HOH 209 609 612 HOH HOH A . F 5 HOH 210 610 613 HOH HOH A . F 5 HOH 211 611 614 HOH HOH A . F 5 HOH 212 612 616 HOH HOH A . F 5 HOH 213 613 617 HOH HOH A . F 5 HOH 214 614 618 HOH HOH A . F 5 HOH 215 615 619 HOH HOH A . F 5 HOH 216 616 620 HOH HOH A . F 5 HOH 217 617 1 HOH HOH A . F 5 HOH 218 618 2 HOH HOH A . F 5 HOH 219 619 3 HOH HOH A . F 5 HOH 220 620 4 HOH HOH A . F 5 HOH 221 621 5 HOH HOH A . F 5 HOH 222 622 7 HOH HOH A . #