data_3S9B # _entry.id 3S9B # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3S9B RCSB RCSB065923 WWPDB D_1000065923 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3S9A . unspecified PDB 3S9C . unspecified PDB 3SBK . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3S9B _pdbx_database_status.recvd_initial_deposition_date 2011-06-01 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _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 'Nakayama, D.' 1 'Ben Ammar, Y.' 2 'Takeda, S.' 3 # loop_ _citation.id _citation.title _citation.journal_abbrev _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 _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Structural basis of coagulation factor V recognition for cleavage by RVV-V' 'Febs Lett.' 585 3020 3025 2011 FEBLAL NE 0014-5793 0165 ? 21871889 10.1016/j.febslet.2011.08.022 1 ;Crystallization and preliminary X-ray crystallographic analysis of blood coagulation factor V-activating proteinase (RVV-V) from Russell's viper venom ; 'Acta Crystallogr.,Sect.F' 65 1306 1308 2009 ? DK 1744-3091 ? ? 20054136 10.1107/S1744309109046697 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Nakayama, D.' 1 primary 'Ben Ammar, Y.' 2 primary 'Miyata, T.' 3 primary 'Takeda, S.' 4 1 'Nakayama, D.' 5 1 'Ben Ammar, Y.' 6 1 'Takeda, S.' 7 # _cell.entry_id 3S9B _cell.length_a 80.042 _cell.length_b 80.042 _cell.length_c 160.415 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _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 3S9B _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _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 'Vipera russelli proteinase RVV-V gamma' 25960.971 1 3.4.21.95 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 water nat water 18.015 180 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Factor V-activating proteinase gamma, Snake venom factor V activator gamma' # _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 ;VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIRIKLGMHSKNIRNEDEQIRVPRGKYFCLNTK FPNGLDKDIMLIRLRRPVTYSTHIAPVSLPSRSRGVGSRCRIMGWGKISTTTYPDVPHCTNIFIVKHKWCEPLYPWVPAD SRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEPCGQHLKPAVYTKVFDYNNWIQSIIAGNRTVTCPP ; _entity_poly.pdbx_seq_one_letter_code_can ;VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIRIKLGMHSKNIRNEDEQIRVPRGKYFCLNTK FPNGLDKDIMLIRLRRPVTYSTHIAPVSLPSRSRGVGSRCRIMGWGKISTTTYPDVPHCTNIFIVKHKWCEPLYPWVPAD SRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEPCGQHLKPAVYTKVFDYNNWIQSIIAGNRTVTCPP ; _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 VAL n 1 2 VAL n 1 3 GLY n 1 4 GLY n 1 5 ASP n 1 6 GLU n 1 7 CYS n 1 8 ASN n 1 9 ILE n 1 10 ASN n 1 11 GLU n 1 12 HIS n 1 13 PRO n 1 14 PHE n 1 15 LEU n 1 16 VAL n 1 17 ALA n 1 18 LEU n 1 19 TYR n 1 20 THR n 1 21 SER n 1 22 ALA n 1 23 SER n 1 24 SER n 1 25 THR n 1 26 ILE n 1 27 HIS n 1 28 CYS n 1 29 ALA n 1 30 GLY n 1 31 ALA n 1 32 LEU n 1 33 ILE n 1 34 ASN n 1 35 ARG n 1 36 GLU n 1 37 TRP n 1 38 VAL n 1 39 LEU n 1 40 THR n 1 41 ALA n 1 42 ALA n 1 43 HIS n 1 44 CYS n 1 45 ASP n 1 46 ARG n 1 47 ARG n 1 48 ASN n 1 49 ILE n 1 50 ARG n 1 51 ILE n 1 52 LYS n 1 53 LEU n 1 54 GLY n 1 55 MET n 1 56 HIS n 1 57 SER n 1 58 LYS n 1 59 ASN n 1 60 ILE n 1 61 ARG n 1 62 ASN n 1 63 GLU n 1 64 ASP n 1 65 GLU n 1 66 GLN n 1 67 ILE n 1 68 ARG n 1 69 VAL n 1 70 PRO n 1 71 ARG n 1 72 GLY n 1 73 LYS n 1 74 TYR n 1 75 PHE n 1 76 CYS n 1 77 LEU n 1 78 ASN n 1 79 THR n 1 80 LYS n 1 81 PHE n 1 82 PRO n 1 83 ASN n 1 84 GLY n 1 85 LEU n 1 86 ASP n 1 87 LYS n 1 88 ASP n 1 89 ILE n 1 90 MET n 1 91 LEU n 1 92 ILE n 1 93 ARG n 1 94 LEU n 1 95 ARG n 1 96 ARG n 1 97 PRO n 1 98 VAL n 1 99 THR n 1 100 TYR n 1 101 SER n 1 102 THR n 1 103 HIS n 1 104 ILE n 1 105 ALA n 1 106 PRO n 1 107 VAL n 1 108 SER n 1 109 LEU n 1 110 PRO n 1 111 SER n 1 112 ARG n 1 113 SER n 1 114 ARG n 1 115 GLY n 1 116 VAL n 1 117 GLY n 1 118 SER n 1 119 ARG n 1 120 CYS n 1 121 ARG n 1 122 ILE n 1 123 MET n 1 124 GLY n 1 125 TRP n 1 126 GLY n 1 127 LYS n 1 128 ILE n 1 129 SER n 1 130 THR n 1 131 THR n 1 132 THR n 1 133 TYR n 1 134 PRO n 1 135 ASP n 1 136 VAL n 1 137 PRO n 1 138 HIS n 1 139 CYS n 1 140 THR n 1 141 ASN n 1 142 ILE n 1 143 PHE n 1 144 ILE n 1 145 VAL n 1 146 LYS n 1 147 HIS n 1 148 LYS n 1 149 TRP n 1 150 CYS n 1 151 GLU n 1 152 PRO n 1 153 LEU n 1 154 TYR n 1 155 PRO n 1 156 TRP n 1 157 VAL n 1 158 PRO n 1 159 ALA n 1 160 ASP n 1 161 SER n 1 162 ARG n 1 163 THR n 1 164 LEU n 1 165 CYS n 1 166 ALA n 1 167 GLY n 1 168 ILE n 1 169 LEU n 1 170 LYS n 1 171 GLY n 1 172 GLY n 1 173 ARG n 1 174 ASP n 1 175 THR n 1 176 CYS n 1 177 HIS n 1 178 GLY n 1 179 ASP n 1 180 SER n 1 181 GLY n 1 182 GLY n 1 183 PRO n 1 184 LEU n 1 185 ILE n 1 186 CYS n 1 187 ASN n 1 188 GLY n 1 189 GLU n 1 190 MET n 1 191 HIS n 1 192 GLY n 1 193 ILE n 1 194 VAL n 1 195 ALA n 1 196 GLY n 1 197 GLY n 1 198 SER n 1 199 GLU n 1 200 PRO n 1 201 CYS n 1 202 GLY n 1 203 GLN n 1 204 HIS n 1 205 LEU n 1 206 LYS n 1 207 PRO n 1 208 ALA n 1 209 VAL n 1 210 TYR n 1 211 THR n 1 212 LYS n 1 213 VAL n 1 214 PHE n 1 215 ASP n 1 216 TYR n 1 217 ASN n 1 218 ASN n 1 219 TRP n 1 220 ILE n 1 221 GLN n 1 222 SER n 1 223 ILE n 1 224 ILE n 1 225 ALA n 1 226 GLY n 1 227 ASN n 1 228 ARG n 1 229 THR n 1 230 VAL n 1 231 THR n 1 232 CYS n 1 233 PRO n 1 234 PRO 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 ;Siamese Russell's viper ; _entity_src_nat.pdbx_organism_scientific 'Daboia russellii siamensis' _entity_src_nat.pdbx_ncbi_taxonomy_id 343250 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue venom _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 VSPG_DABRU _struct_ref.pdbx_db_accession P18965 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIRIKLGMHSKNIRNEDEQIRVPRGKYFCLNTK FPNGLDKDIMLIRLRRPVTYSTHIAPVSLPSRSRGVGSRCRIMGWGKISTTEDTYPDVPHCTNIFIVKHKWCEPLYPWVP ADSRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEPCGQHLKPAVYTKVFDYNNWIQSIIAGNRTVTCPP ; _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 3S9B _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 234 _struct_ref_seq.pdbx_seq_align_end_ins_code G _struct_ref_seq.pdbx_db_accession P18965 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 236 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 16 _struct_ref_seq.pdbx_auth_seq_align_end 245 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3S9B ? A ? ? UNP P18965 GLU 132 DELETION ? 1 1 3S9B ? A ? ? UNP P18965 ASP 133 DELETION ? 2 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3S9B _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.86 _exptl_crystal.density_percent_sol 56.95 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.0 _exptl_crystal_grow.pdbx_details '9.6% PEG 3350, 0.8% tryptone, 40mM Na/HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RAYONIX MX225HE' _diffrn_detector.pdbx_collection_date 2009-04-21 _diffrn_detector.details mirrors # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Rotated-inclined double-crystal' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL41XU' _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL41XU _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0 # _reflns.entry_id 3S9B _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.9 _reflns.number_obs 24182 _reflns.number_all 24777 _reflns.percent_possible_obs 97.6 _reflns.pdbx_Rmerge_I_obs 0.050 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 22.0 _reflns.B_iso_Wilson_estimate 20.9 _reflns.pdbx_redundancy 7.2 _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 1.90 _reflns_shell.d_res_low 1.97 _reflns_shell.percent_possible_all 99.5 _reflns_shell.Rmerge_I_obs 0.282 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 7.1 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 2389 _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 3S9B _refine.ls_number_reflns_obs 24166 _refine.ls_number_reflns_all 24777 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 2058562.45 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 29.07 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs 97.8 _refine.ls_R_factor_obs 0.198 _refine.ls_R_factor_all 0.20 _refine.ls_R_factor_R_work 0.198 _refine.ls_R_factor_R_free 0.219 _refine.ls_R_factor_R_free_error 0.006 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 1172 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 33.8 _refine.aniso_B[1][1] -3.68 _refine.aniso_B[2][2] -3.68 _refine.aniso_B[3][3] 7.35 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.4 _refine.solvent_model_param_bsol 52.7692 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'BULK SOLVENT MODEL USED' _refine.pdbx_starting_model 'PDB ENTRY 3S9A' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _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_overall_ESU_R ? _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_analyze.entry_id 3S9B _refine_analyze.Luzzati_coordinate_error_obs 0.21 _refine_analyze.Luzzati_sigma_a_obs 0.12 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.25 _refine_analyze.Luzzati_sigma_a_free 0.17 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1817 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 180 _refine_hist.number_atoms_total 2011 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 29.07 # 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 c_bond_d 0.006 ? ? ? ? 'X-RAY DIFFRACTION' c_angle_deg 1.4 ? ? ? ? 'X-RAY DIFFRACTION' c_dihedral_angle_d 25.0 ? ? ? ? 'X-RAY DIFFRACTION' c_improper_angle_d 0.86 ? ? ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 1.90 _refine_ls_shell.d_res_low 2.02 _refine_ls_shell.number_reflns_R_work 3779 _refine_ls_shell.R_factor_R_work 0.224 _refine_ls_shell.percent_reflns_obs 99.3 _refine_ls_shell.R_factor_R_free 0.261 _refine_ls_shell.R_factor_R_free_error 0.019 _refine_ls_shell.percent_reflns_R_free 4.9 _refine_ls_shell.number_reflns_R_free 194 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 2356 _refine_ls_shell.redundancy_reflns_obs ? # loop_ _pdbx_xplor_file.pdbx_refine_id _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file 'X-RAY DIFFRACTION' 1 protein_rep.param protein.top 'X-RAY DIFFRACTION' 2 dna-rna_rep.param dna-rna.top 'X-RAY DIFFRACTION' 3 water_rep.param water.top 'X-RAY DIFFRACTION' 4 ion.param ion.top 'X-RAY DIFFRACTION' 5 carbohydrate.param carbohydrate.top # _struct_ncs_dom.id 1 _struct_ncs_dom.details ? _struct_ncs_dom.pdbx_ens_id 1 # _struct_ncs_ens.id 1 _struct_ncs_ens.details ? # _struct.entry_id 3S9B _struct.title ;Russell's viper venom serine proteinase, RVV-V (open-form) ; _struct.pdbx_descriptor 'Vipera russelli proteinase RVV-V gamma (E.C.3.4.21.95)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3S9B _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'serine proteinase, double six-stranded beta-barrels, Hydrolase, glycosylation' # 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 ? # _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 ALA A 41 ? ASP A 45 ? ALA A 55 ASP A 59 5 ? 5 HELX_P HELX_P2 2 GLY A 84 ? ASP A 88 ? GLY A 98 ASP A 102 5 ? 5 HELX_P HELX_P3 3 LYS A 146 ? LYS A 148 ? LYS A 164 LYS A 166 5 ? 3 HELX_P HELX_P4 4 TRP A 149 ? TYR A 154 ? TRP A 167 TYR A 172 1 ? 6 HELX_P HELX_P5 5 VAL A 213 ? GLY A 226 ? VAL A 231 GLY A 244 1 ? 14 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _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 _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _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 _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 22 A CYS 157 1_555 ? ? ? ? ? ? ? 2.039 ? disulf2 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 44 SG ? ? A CYS 42 A CYS 58 1_555 ? ? ? ? ? ? ? 2.042 ? disulf3 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 232 SG ? E A CYS 91 A CYS 245 1_555 ? ? ? ? ? ? ? 2.023 ? disulf4 disulf ? ? A CYS 120 SG ? ? ? 1_555 A CYS 186 SG ? ? A CYS 136 A CYS 201 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 165 SG ? ? A CYS 168 A CYS 182 1_555 ? ? ? ? ? ? ? 2.039 ? disulf6 disulf ? ? A CYS 176 SG ? ? ? 1_555 A CYS 201 SG ? ? A CYS 191 A CYS 220 1_555 ? ? ? ? ? ? ? 2.045 ? covale1 covale ? ? A ASN 227 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 245 A NAG 301 1_555 ? ? ? ? ? ? ? 1.449 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id GLU _struct_mon_prot_cis.label_seq_id 199 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id GLU _struct_mon_prot_cis.auth_seq_id 218 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 200 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 219 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -0.13 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 7 ? # 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 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel B 6 7 ? 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 ASP A 5 ? GLU A 6 ? ASP A 20 GLU A 21 A 2 HIS A 138 ? VAL A 145 ? HIS A 156 VAL A 163 A 3 THR A 163 ? GLY A 167 ? THR A 180 GLY A 184 A 4 ALA A 208 ? LYS A 212 ? ALA A 226 LYS A 230 A 5 GLU A 189 ? GLY A 196 ? GLU A 208 GLY A 215 A 6 PRO A 183 ? CYS A 186 ? PRO A 198 CYS A 201 A 7 ARG A 119 ? GLY A 124 ? ARG A 135 GLY A 140 A 8 HIS A 138 ? VAL A 145 ? HIS A 156 VAL A 163 B 1 GLN A 66 ? ARG A 68 ? GLN A 81 ARG A 83 B 2 ILE A 49 ? LEU A 53 ? ILE A 64 LEU A 68 B 3 LEU A 15 ? THR A 20 ? LEU A 30 THR A 35 B 4 CYS A 28 ? ASN A 34 ? CYS A 42 ASN A 48 B 5 TRP A 37 ? THR A 40 ? TRP A 51 THR A 54 B 6 MET A 90 ? LEU A 94 ? MET A 104 LEU A 108 B 7 PRO A 70 ? PHE A 75 ? PRO A 85 PHE A 90 # 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 ASP A 5 ? N ASP A 20 O CYS A 139 ? O CYS A 157 A 2 3 N VAL A 145 ? N VAL A 163 O CYS A 165 ? O CYS A 182 A 3 4 N LEU A 164 ? N LEU A 181 O TYR A 210 ? O TYR A 228 A 4 5 O VAL A 209 ? O VAL A 227 N GLY A 196 ? N GLY A 215 A 5 6 O GLU A 189 ? O GLU A 208 N CYS A 186 ? N CYS A 201 A 6 7 O ILE A 185 ? O ILE A 200 N ARG A 121 ? N ARG A 137 A 7 8 N CYS A 120 ? N CYS A 136 O ILE A 142 ? O ILE A 160 B 1 2 O GLN A 66 ? O GLN A 81 N LEU A 53 ? N LEU A 68 B 2 3 O LYS A 52 ? O LYS A 67 N ALA A 17 ? N ALA A 32 B 3 4 N LEU A 18 ? N LEU A 33 O CYS A 28 ? O CYS A 42 B 4 5 N ALA A 31 ? N ALA A 45 O LEU A 39 ? O LEU A 53 B 5 6 N VAL A 38 ? N VAL A 52 O ILE A 92 ? O ILE A 106 B 6 7 O ARG A 93 ? O ARG A 107 N ARG A 71 ? N ARG A 86 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 1 _struct_site.details 'BINDING SITE FOR RESIDUE NAG A 301' # _struct_site_gen.id 1 _struct_site_gen.site_id AC1 _struct_site_gen.pdbx_num_res 1 _struct_site_gen.label_comp_id ASN _struct_site_gen.label_asym_id A _struct_site_gen.label_seq_id 227 _struct_site_gen.pdbx_auth_ins_code ? _struct_site_gen.auth_comp_id ASN _struct_site_gen.auth_asym_id A _struct_site_gen.auth_seq_id 245 _struct_site_gen.label_atom_id . _struct_site_gen.label_alt_id ? _struct_site_gen.symmetry 1_555 _struct_site_gen.details ? # _database_PDB_matrix.entry_id 3S9B _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 3S9B _atom_sites.fract_transf_matrix[1][1] 0.012493 _atom_sites.fract_transf_matrix[1][2] 0.007213 _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] 0.014426 _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] 0.006234 _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 . VAL A 1 1 ? 5.216 -34.614 1.134 1.00 20.53 ? 16 VAL A N 1 ATOM 2 C CA . VAL A 1 1 ? 4.696 -35.353 -0.052 1.00 20.35 ? 16 VAL A CA 1 ATOM 3 C C . VAL A 1 1 ? 5.568 -36.582 -0.291 1.00 28.12 ? 16 VAL A C 1 ATOM 4 O O . VAL A 1 1 ? 6.790 -36.462 -0.410 1.00 24.44 ? 16 VAL A O 1 ATOM 5 C CB . VAL A 1 1 ? 4.745 -34.471 -1.333 1.00 27.34 ? 16 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 1 ? 4.352 -35.298 -2.554 1.00 20.28 ? 16 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? 3.819 -33.265 -1.184 1.00 24.28 ? 16 VAL A CG2 1 ATOM 8 N N . VAL A 1 2 ? 4.952 -37.760 -0.349 1.00 28.75 ? 17 VAL A N 1 ATOM 9 C CA . VAL A 1 2 ? 5.714 -38.976 -0.604 1.00 28.91 ? 17 VAL A CA 1 ATOM 10 C C . VAL A 1 2 ? 5.501 -39.445 -2.029 1.00 29.97 ? 17 VAL A C 1 ATOM 11 O O . VAL A 1 2 ? 4.465 -39.167 -2.637 1.00 30.29 ? 17 VAL A O 1 ATOM 12 C CB . VAL A 1 2 ? 5.324 -40.134 0.358 1.00 28.51 ? 17 VAL A CB 1 ATOM 13 C CG1 . VAL A 1 2 ? 5.679 -39.758 1.782 1.00 31.22 ? 17 VAL A CG1 1 ATOM 14 C CG2 . VAL A 1 2 ? 3.833 -40.467 0.228 1.00 26.09 ? 17 VAL A CG2 1 ATOM 15 N N . GLY A 1 3 ? 6.497 -40.143 -2.565 1.00 29.67 ? 18 GLY A N 1 ATOM 16 C CA . GLY A 1 3 ? 6.393 -40.668 -3.912 1.00 28.93 ? 18 GLY A CA 1 ATOM 17 C C . GLY A 1 3 ? 6.743 -39.691 -5.014 1.00 30.96 ? 18 GLY A C 1 ATOM 18 O O . GLY A 1 3 ? 6.557 -39.994 -6.193 1.00 32.48 ? 18 GLY A O 1 ATOM 19 N N . GLY A 1 4 ? 7.243 -38.519 -4.642 1.00 31.15 ? 19 GLY A N 1 ATOM 20 C CA . GLY A 1 4 ? 7.608 -37.537 -5.649 1.00 34.30 ? 19 GLY A CA 1 ATOM 21 C C . GLY A 1 4 ? 9.083 -37.181 -5.591 1.00 33.62 ? 19 GLY A C 1 ATOM 22 O O . GLY A 1 4 ? 9.915 -37.991 -5.184 1.00 28.55 ? 19 GLY A O 1 ATOM 23 N N . ASP A 1 5 ? 9.399 -35.959 -6.002 1.00 30.52 ? 20 ASP A N 1 ATOM 24 C CA . ASP A 1 5 ? 10.766 -35.457 -6.001 1.00 31.48 ? 20 ASP A CA 1 ATOM 25 C C . ASP A 1 5 ? 10.719 -33.952 -5.778 1.00 28.16 ? 20 ASP A C 1 ATOM 26 O O . ASP A 1 5 ? 9.642 -33.357 -5.766 1.00 24.40 ? 20 ASP A O 1 ATOM 27 C CB . ASP A 1 5 ? 11.446 -35.750 -7.345 1.00 40.03 ? 20 ASP A CB 1 ATOM 28 C CG . ASP A 1 5 ? 12.003 -37.161 -7.429 1.00 52.56 ? 20 ASP A CG 1 ATOM 29 O OD1 . ASP A 1 5 ? 12.935 -37.483 -6.657 1.00 60.88 ? 20 ASP A OD1 1 ATOM 30 O OD2 . ASP A 1 5 ? 11.514 -37.948 -8.267 1.00 52.10 ? 20 ASP A OD2 1 ATOM 31 N N . GLU A 1 6 ? 11.884 -33.340 -5.598 1.00 21.99 ? 21 GLU A N 1 ATOM 32 C CA . GLU A 1 6 ? 11.951 -31.895 -5.408 1.00 26.07 ? 21 GLU A CA 1 ATOM 33 C C . GLU A 1 6 ? 11.217 -31.200 -6.555 1.00 24.47 ? 21 GLU A C 1 ATOM 34 O O . GLU A 1 6 ? 11.376 -31.566 -7.721 1.00 19.95 ? 21 GLU A O 1 ATOM 35 C CB . GLU A 1 6 ? 13.412 -31.432 -5.371 1.00 26.57 ? 21 GLU A CB 1 ATOM 36 C CG . GLU A 1 6 ? 13.576 -29.917 -5.325 1.00 24.90 ? 21 GLU A CG 1 ATOM 37 C CD . GLU A 1 6 ? 15.024 -29.495 -5.192 1.00 26.45 ? 21 GLU A CD 1 ATOM 38 O OE1 . GLU A 1 6 ? 15.883 -30.377 -4.979 1.00 25.65 ? 21 GLU A OE1 1 ATOM 39 O OE2 . GLU A 1 6 ? 15.302 -28.285 -5.283 1.00 23.50 ? 21 GLU A OE2 1 ATOM 40 N N . CYS A 1 7 ? 10.401 -30.207 -6.223 1.00 23.54 ? 22 CYS A N 1 ATOM 41 C CA . CYS A 1 7 ? 9.647 -29.480 -7.242 1.00 26.26 ? 22 CYS A CA 1 ATOM 42 C C . CYS A 1 7 ? 10.575 -28.621 -8.095 1.00 24.62 ? 22 CYS A C 1 ATOM 43 O O . CYS A 1 7 ? 11.668 -28.247 -7.665 1.00 22.37 ? 22 CYS A O 1 ATOM 44 C CB . CYS A 1 7 ? 8.634 -28.525 -6.604 1.00 25.46 ? 22 CYS A CB 1 ATOM 45 S SG . CYS A 1 7 ? 7.395 -29.219 -5.452 1.00 23.58 ? 22 CYS A SG 1 ATOM 46 N N . ASN A 1 8 ? 10.124 -28.306 -9.303 1.00 21.22 ? 23 ASN A N 1 ATOM 47 C CA . ASN A 1 8 ? 10.882 -27.419 -10.172 1.00 21.49 ? 23 ASN A CA 1 ATOM 48 C C . ASN A 1 8 ? 10.827 -26.092 -9.414 1.00 24.32 ? 23 ASN A C 1 ATOM 49 O O . ASN A 1 8 ? 9.787 -25.735 -8.865 1.00 22.84 ? 23 ASN A O 1 ATOM 50 C CB . ASN A 1 8 ? 10.195 -27.325 -11.539 1.00 24.00 ? 23 ASN A CB 1 ATOM 51 C CG . ASN A 1 8 ? 10.663 -26.128 -12.348 1.00 30.80 ? 23 ASN A CG 1 ATOM 52 O OD1 . ASN A 1 8 ? 10.169 -25.022 -12.166 1.00 26.87 ? 23 ASN A OD1 1 ATOM 53 N ND2 . ASN A 1 8 ? 11.634 -26.345 -13.233 1.00 23.34 ? 23 ASN A ND2 1 ATOM 54 N N . ILE A 1 9 ? 11.941 -25.371 -9.361 1.00 22.56 ? 24 ILE A N 1 ATOM 55 C CA . ILE A 1 9 ? 11.997 -24.122 -8.615 1.00 21.39 ? 24 ILE A CA 1 ATOM 56 C C . ILE A 1 9 ? 11.025 -23.026 -9.071 1.00 21.60 ? 24 ILE A C 1 ATOM 57 O O . ILE A 1 9 ? 10.642 -22.169 -8.280 1.00 21.13 ? 24 ILE A O 1 ATOM 58 C CB . ILE A 1 9 ? 13.445 -23.567 -8.592 1.00 22.44 ? 24 ILE A CB 1 ATOM 59 C CG1 . ILE A 1 9 ? 13.545 -22.410 -7.599 1.00 30.28 ? 24 ILE A CG1 1 ATOM 60 C CG2 . ILE A 1 9 ? 13.862 -23.126 -9.989 1.00 29.13 ? 24 ILE A CG2 1 ATOM 61 C CD1 . ILE A 1 9 ? 14.976 -22.047 -7.226 1.00 40.54 ? 24 ILE A CD1 1 ATOM 62 N N . ASN A 1 10 ? 10.599 -23.068 -10.327 1.00 20.39 ? 25 ASN A N 1 ATOM 63 C CA . ASN A 1 10 ? 9.680 -22.056 -10.847 1.00 26.42 ? 25 ASN A CA 1 ATOM 64 C C . ASN A 1 10 ? 8.216 -22.487 -10.926 1.00 24.70 ? 25 ASN A C 1 ATOM 65 O O . ASN A 1 10 ? 7.363 -21.692 -11.312 1.00 26.95 ? 25 ASN A O 1 ATOM 66 C CB . ASN A 1 10 ? 10.116 -21.631 -12.255 1.00 24.62 ? 25 ASN A CB 1 ATOM 67 C CG . ASN A 1 10 ? 11.533 -21.104 -12.292 1.00 34.68 ? 25 ASN A CG 1 ATOM 68 O OD1 . ASN A 1 10 ? 11.891 -20.204 -11.532 1.00 32.47 ? 25 ASN A OD1 1 ATOM 69 N ND2 . ASN A 1 10 ? 12.352 -21.662 -13.181 1.00 27.46 ? 25 ASN A ND2 1 ATOM 70 N N . GLU A 1 11 ? 7.909 -23.723 -10.552 1.00 23.02 ? 26 GLU A N 1 ATOM 71 C CA . GLU A 1 11 ? 6.534 -24.204 -10.698 1.00 21.43 ? 26 GLU A CA 1 ATOM 72 C C . GLU A 1 11 ? 5.549 -23.993 -9.555 1.00 23.56 ? 26 GLU A C 1 ATOM 73 O O . GLU A 1 11 ? 4.371 -24.332 -9.690 1.00 24.63 ? 26 GLU A O 1 ATOM 74 C CB . GLU A 1 11 ? 6.544 -25.693 -11.051 1.00 22.97 ? 26 GLU A CB 1 ATOM 75 C CG . GLU A 1 11 ? 6.796 -26.621 -9.860 1.00 22.44 ? 26 GLU A CG 1 ATOM 76 C CD . GLU A 1 11 ? 6.471 -28.070 -10.179 1.00 30.54 ? 26 GLU A CD 1 ATOM 77 O OE1 . GLU A 1 11 ? 5.304 -28.347 -10.540 1.00 26.08 ? 26 GLU A OE1 1 ATOM 78 O OE2 . GLU A 1 11 ? 7.374 -28.931 -10.069 1.00 25.42 ? 26 GLU A OE2 1 ATOM 79 N N . HIS A 1 12 ? 6.003 -23.425 -8.445 1.00 22.23 ? 27 HIS A N 1 ATOM 80 C CA . HIS A 1 12 ? 5.125 -23.230 -7.296 1.00 23.57 ? 27 HIS A CA 1 ATOM 81 C C . HIS A 1 12 ? 5.191 -21.809 -6.735 1.00 20.43 ? 27 HIS A C 1 ATOM 82 O O . HIS A 1 12 ? 5.286 -21.620 -5.524 1.00 23.36 ? 27 HIS A O 1 ATOM 83 C CB . HIS A 1 12 ? 5.521 -24.245 -6.207 1.00 20.75 ? 27 HIS A CB 1 ATOM 84 C CG . HIS A 1 12 ? 6.948 -24.127 -5.760 1.00 22.12 ? 27 HIS A CG 1 ATOM 85 N ND1 . HIS A 1 12 ? 7.368 -23.184 -4.845 1.00 23.62 ? 27 HIS A ND1 1 ATOM 86 C CD2 . HIS A 1 12 ? 8.060 -24.815 -6.127 1.00 22.89 ? 27 HIS A CD2 1 ATOM 87 C CE1 . HIS A 1 12 ? 8.674 -23.295 -4.666 1.00 24.48 ? 27 HIS A CE1 1 ATOM 88 N NE2 . HIS A 1 12 ? 9.118 -24.279 -5.432 1.00 22.50 ? 27 HIS A NE2 1 ATOM 89 N N . PRO A 1 13 ? 5.104 -20.787 -7.602 1.00 19.51 ? 28 PRO A N 1 ATOM 90 C CA . PRO A 1 13 ? 5.175 -19.402 -7.122 1.00 20.57 ? 28 PRO A CA 1 ATOM 91 C C . PRO A 1 13 ? 4.033 -18.965 -6.198 1.00 20.04 ? 28 PRO A C 1 ATOM 92 O O . PRO A 1 13 ? 4.154 -17.980 -5.473 1.00 20.66 ? 28 PRO A O 1 ATOM 93 C CB . PRO A 1 13 ? 5.219 -18.597 -8.418 1.00 22.31 ? 28 PRO A CB 1 ATOM 94 C CG . PRO A 1 13 ? 4.377 -19.425 -9.351 1.00 27.04 ? 28 PRO A CG 1 ATOM 95 C CD . PRO A 1 13 ? 4.846 -20.833 -9.057 1.00 23.97 ? 28 PRO A CD 1 ATOM 96 N N . PHE A 1 14 ? 2.938 -19.711 -6.228 1.00 23.56 ? 29 PHE A N 1 ATOM 97 C CA . PHE A 1 14 ? 1.771 -19.413 -5.411 1.00 19.57 ? 29 PHE A CA 1 ATOM 98 C C . PHE A 1 14 ? 1.844 -20.126 -4.064 1.00 23.24 ? 29 PHE A C 1 ATOM 99 O O . PHE A 1 14 ? 1.019 -19.873 -3.182 1.00 21.53 ? 29 PHE A O 1 ATOM 100 C CB . PHE A 1 14 ? 0.515 -19.862 -6.161 1.00 22.19 ? 29 PHE A CB 1 ATOM 101 C CG . PHE A 1 14 ? 0.628 -21.248 -6.730 1.00 26.68 ? 29 PHE A CG 1 ATOM 102 C CD1 . PHE A 1 14 ? 0.509 -22.368 -5.908 1.00 20.68 ? 29 PHE A CD1 1 ATOM 103 C CD2 . PHE A 1 14 ? 0.935 -21.432 -8.081 1.00 24.56 ? 29 PHE A CD2 1 ATOM 104 C CE1 . PHE A 1 14 ? 0.698 -23.656 -6.418 1.00 24.09 ? 29 PHE A CE1 1 ATOM 105 C CE2 . PHE A 1 14 ? 1.128 -22.711 -8.605 1.00 25.44 ? 29 PHE A CE2 1 ATOM 106 C CZ . PHE A 1 14 ? 1.013 -23.827 -7.782 1.00 22.82 ? 29 PHE A CZ 1 ATOM 107 N N . LEU A 1 15 ? 2.825 -21.014 -3.905 1.00 19.75 ? 30 LEU A N 1 ATOM 108 C CA . LEU A 1 15 ? 2.958 -21.780 -2.664 1.00 20.79 ? 30 LEU A CA 1 ATOM 109 C C . LEU A 1 15 ? 3.617 -21.011 -1.526 1.00 20.98 ? 30 LEU A C 1 ATOM 110 O O . LEU A 1 15 ? 4.701 -20.452 -1.683 1.00 23.32 ? 30 LEU A O 1 ATOM 111 C CB . LEU A 1 15 ? 3.736 -23.075 -2.928 1.00 21.52 ? 30 LEU A CB 1 ATOM 112 C CG . LEU A 1 15 ? 3.875 -24.098 -1.794 1.00 21.44 ? 30 LEU A CG 1 ATOM 113 C CD1 . LEU A 1 15 ? 2.516 -24.746 -1.489 1.00 19.66 ? 30 LEU A CD1 1 ATOM 114 C CD2 . LEU A 1 15 ? 4.869 -25.178 -2.216 1.00 24.34 ? 30 LEU A CD2 1 ATOM 115 N N . VAL A 1 16 ? 2.956 -20.974 -0.374 1.00 21.93 ? 31 VAL A N 1 ATOM 116 C CA . VAL A 1 16 ? 3.524 -20.288 0.777 1.00 23.54 ? 31 VAL A CA 1 ATOM 117 C C . VAL A 1 16 ? 3.690 -21.285 1.914 1.00 23.41 ? 31 VAL A C 1 ATOM 118 O O . VAL A 1 16 ? 2.984 -22.303 1.970 1.00 21.27 ? 31 VAL A O 1 ATOM 119 C CB . VAL A 1 16 ? 2.640 -19.101 1.250 1.00 23.36 ? 31 VAL A CB 1 ATOM 120 C CG1 . VAL A 1 16 ? 2.385 -18.161 0.083 1.00 25.28 ? 31 VAL A CG1 1 ATOM 121 C CG2 . VAL A 1 16 ? 1.334 -19.613 1.861 1.00 20.94 ? 31 VAL A CG2 1 ATOM 122 N N . ALA A 1 17 ? 4.632 -20.994 2.809 1.00 19.85 ? 32 ALA A N 1 ATOM 123 C CA . ALA A 1 17 ? 4.912 -21.863 3.945 1.00 21.06 ? 32 ALA A CA 1 ATOM 124 C C . ALA A 1 17 ? 4.482 -21.167 5.224 1.00 21.93 ? 32 ALA A C 1 ATOM 125 O O . ALA A 1 17 ? 4.793 -20.002 5.432 1.00 22.54 ? 32 ALA A O 1 ATOM 126 C CB . ALA A 1 17 ? 6.419 -22.183 4.008 1.00 23.45 ? 32 ALA A CB 1 ATOM 127 N N . LEU A 1 18 ? 3.782 -21.892 6.088 1.00 21.97 ? 33 LEU A N 1 ATOM 128 C CA . LEU A 1 18 ? 3.314 -21.317 7.336 1.00 23.51 ? 33 LEU A CA 1 ATOM 129 C C . LEU A 1 18 ? 4.084 -21.848 8.530 1.00 20.62 ? 33 LEU A C 1 ATOM 130 O O . LEU A 1 18 ? 4.323 -23.049 8.643 1.00 24.23 ? 33 LEU A O 1 ATOM 131 C CB . LEU A 1 18 ? 1.825 -21.629 7.540 1.00 20.81 ? 33 LEU A CB 1 ATOM 132 C CG . LEU A 1 18 ? 0.855 -21.203 6.435 1.00 27.78 ? 33 LEU A CG 1 ATOM 133 C CD1 . LEU A 1 18 ? -0.588 -21.522 6.869 1.00 28.77 ? 33 LEU A CD1 1 ATOM 134 C CD2 . LEU A 1 18 ? 1.003 -19.729 6.169 1.00 26.02 ? 33 LEU A CD2 1 ATOM 135 N N . TYR A 1 19 ? 4.481 -20.941 9.413 1.00 23.80 ? 34 TYR A N 1 ATOM 136 C CA . TYR A 1 19 ? 5.172 -21.325 10.633 1.00 24.88 ? 34 TYR A CA 1 ATOM 137 C C . TYR A 1 19 ? 4.699 -20.353 11.711 1.00 28.32 ? 34 TYR A C 1 ATOM 138 O O . TYR A 1 19 ? 3.665 -19.702 11.541 1.00 27.73 ? 34 TYR A O 1 ATOM 139 C CB . TYR A 1 19 ? 6.702 -21.294 10.449 1.00 26.32 ? 34 TYR A CB 1 ATOM 140 C CG . TYR A 1 19 ? 7.293 -19.986 9.970 1.00 29.57 ? 34 TYR A CG 1 ATOM 141 C CD1 . TYR A 1 19 ? 7.019 -19.496 8.692 1.00 26.03 ? 34 TYR A CD1 1 ATOM 142 C CD2 . TYR A 1 19 ? 8.142 -19.246 10.792 1.00 31.59 ? 34 TYR A CD2 1 ATOM 143 C CE1 . TYR A 1 19 ? 7.577 -18.295 8.246 1.00 28.88 ? 34 TYR A CE1 1 ATOM 144 C CE2 . TYR A 1 19 ? 8.705 -18.050 10.358 1.00 32.59 ? 34 TYR A CE2 1 ATOM 145 C CZ . TYR A 1 19 ? 8.417 -17.579 9.084 1.00 34.78 ? 34 TYR A CZ 1 ATOM 146 O OH . TYR A 1 19 ? 8.957 -16.388 8.655 1.00 34.09 ? 34 TYR A OH 1 ATOM 147 N N . THR A 1 20 ? 5.422 -20.251 12.821 1.00 29.76 ? 35 THR A N 1 ATOM 148 C CA . THR A 1 20 ? 5.006 -19.333 13.874 1.00 29.49 ? 35 THR A CA 1 ATOM 149 C C . THR A 1 20 ? 6.182 -18.507 14.388 1.00 34.02 ? 35 THR A C 1 ATOM 150 O O . THR A 1 20 ? 7.331 -18.778 14.053 1.00 34.87 ? 35 THR A O 1 ATOM 151 C CB . THR A 1 20 ? 4.379 -20.089 15.066 1.00 32.01 ? 35 THR A CB 1 ATOM 152 O OG1 . THR A 1 20 ? 5.400 -20.815 15.759 1.00 35.14 ? 35 THR A OG1 1 ATOM 153 C CG2 . THR A 1 20 ? 3.307 -21.060 14.584 1.00 30.82 ? 35 THR A CG2 1 ATOM 154 N N . SER A 1 21 ? 5.894 -17.495 15.200 1.00 36.80 ? 36 SER A N 1 ATOM 155 C CA . SER A 1 21 ? 6.959 -16.658 15.737 1.00 42.65 ? 36 SER A CA 1 ATOM 156 C C . SER A 1 21 ? 7.765 -17.424 16.784 1.00 43.23 ? 36 SER A C 1 ATOM 157 O O . SER A 1 21 ? 8.831 -16.983 17.201 1.00 45.96 ? 36 SER A O 1 ATOM 158 C CB . SER A 1 21 ? 6.381 -15.383 16.361 1.00 41.12 ? 36 SER A CB 1 ATOM 159 O OG . SER A 1 21 ? 5.552 -15.684 17.470 1.00 41.21 ? 36 SER A OG 1 ATOM 160 N N . ALA A 1 22 A 7.258 -18.581 17.196 1.00 44.17 ? 36 ALA A N 1 ATOM 161 C CA . ALA A 1 22 A 7.936 -19.387 18.202 1.00 45.10 ? 36 ALA A CA 1 ATOM 162 C C . ALA A 1 22 A 8.721 -20.547 17.595 1.00 47.80 ? 36 ALA A C 1 ATOM 163 O O . ALA A 1 22 A 9.701 -21.016 18.179 1.00 45.80 ? 36 ALA A O 1 ATOM 164 C CB . ALA A 1 22 A 6.917 -19.920 19.209 1.00 46.06 ? 36 ALA A CB 1 ATOM 165 N N . SER A 1 23 ? 8.291 -21.010 16.425 1.00 41.87 ? 37 SER A N 1 ATOM 166 C CA . SER A 1 23 ? 8.955 -22.130 15.765 1.00 40.87 ? 37 SER A CA 1 ATOM 167 C C . SER A 1 23 ? 9.159 -21.895 14.272 1.00 42.66 ? 37 SER A C 1 ATOM 168 O O . SER A 1 23 ? 8.280 -21.361 13.591 1.00 40.10 ? 37 SER A O 1 ATOM 169 C CB . SER A 1 23 ? 8.136 -23.406 15.966 1.00 41.09 ? 37 SER A CB 1 ATOM 170 O OG . SER A 1 23 ? 8.694 -24.484 15.239 1.00 41.19 ? 37 SER A OG 1 ATOM 171 N N . SER A 1 24 ? 10.319 -22.304 13.769 1.00 38.85 ? 38 SER A N 1 ATOM 172 C CA . SER A 1 24 ? 10.631 -22.147 12.355 1.00 41.44 ? 38 SER A CA 1 ATOM 173 C C . SER A 1 24 ? 10.169 -23.380 11.592 1.00 35.39 ? 38 SER A C 1 ATOM 174 O O . SER A 1 24 ? 10.364 -23.485 10.386 1.00 35.41 ? 38 SER A O 1 ATOM 175 C CB . SER A 1 24 ? 12.137 -21.956 12.156 1.00 41.85 ? 38 SER A CB 1 ATOM 176 O OG . SER A 1 24 ? 12.848 -23.107 12.575 1.00 50.86 ? 38 SER A OG 1 ATOM 177 N N . THR A 1 25 ? 9.558 -24.320 12.301 1.00 34.56 ? 39 THR A N 1 ATOM 178 C CA . THR A 1 25 ? 9.068 -25.535 11.665 1.00 32.99 ? 39 THR A CA 1 ATOM 179 C C . THR A 1 25 ? 7.872 -25.186 10.782 1.00 29.89 ? 39 THR A C 1 ATOM 180 O O . THR A 1 25 ? 6.997 -24.427 11.195 1.00 27.99 ? 39 THR A O 1 ATOM 181 C CB . THR A 1 25 ? 8.627 -26.568 12.719 1.00 35.79 ? 39 THR A CB 1 ATOM 182 O OG1 . THR A 1 25 ? 9.745 -26.907 13.549 1.00 42.88 ? 39 THR A OG1 1 ATOM 183 C CG2 . THR A 1 25 ? 8.098 -27.820 12.047 1.00 36.01 ? 39 THR A CG2 1 ATOM 184 N N . ILE A 1 26 ? 7.851 -25.717 9.563 1.00 29.06 ? 40 ILE A N 1 ATOM 185 C CA . ILE A 1 26 ? 6.747 -25.466 8.643 1.00 27.16 ? 40 ILE A CA 1 ATOM 186 C C . ILE A 1 26 ? 5.649 -26.465 8.993 1.00 27.47 ? 40 ILE A C 1 ATOM 187 O O . ILE A 1 26 ? 5.741 -27.647 8.661 1.00 30.24 ? 40 ILE A O 1 ATOM 188 C CB . ILE A 1 26 ? 7.180 -25.675 7.183 1.00 24.22 ? 40 ILE A CB 1 ATOM 189 C CG1 . ILE A 1 26 ? 8.296 -24.689 6.837 1.00 26.52 ? 40 ILE A CG1 1 ATOM 190 C CG2 . ILE A 1 26 ? 5.975 -25.514 6.248 1.00 25.20 ? 40 ILE A CG2 1 ATOM 191 C CD1 . ILE A 1 26 ? 8.808 -24.810 5.422 1.00 26.10 ? 40 ILE A CD1 1 ATOM 192 N N . HIS A 1 27 ? 4.610 -25.994 9.673 1.00 26.41 ? 41 HIS A N 1 ATOM 193 C CA . HIS A 1 27 ? 3.539 -26.891 10.080 1.00 24.31 ? 41 HIS A CA 1 ATOM 194 C C . HIS A 1 27 ? 2.452 -27.050 9.022 1.00 27.57 ? 41 HIS A C 1 ATOM 195 O O . HIS A 1 27 ? 1.633 -27.964 9.098 1.00 27.86 ? 41 HIS A O 1 ATOM 196 C CB . HIS A 1 27 ? 2.931 -26.421 11.415 1.00 24.45 ? 41 HIS A CB 1 ATOM 197 C CG . HIS A 1 27 ? 2.211 -25.112 11.331 1.00 23.26 ? 41 HIS A CG 1 ATOM 198 N ND1 . HIS A 1 27 ? 2.831 -23.902 11.555 1.00 26.17 ? 41 HIS A ND1 1 ATOM 199 C CD2 . HIS A 1 27 ? 0.921 -24.825 11.031 1.00 22.57 ? 41 HIS A CD2 1 ATOM 200 C CE1 . HIS A 1 27 ? 1.955 -22.925 11.395 1.00 26.62 ? 41 HIS A CE1 1 ATOM 201 N NE2 . HIS A 1 27 ? 0.789 -23.458 11.076 1.00 26.11 ? 41 HIS A NE2 1 ATOM 202 N N . CYS A 1 28 ? 2.466 -26.175 8.022 1.00 25.18 ? 42 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? 1.477 -26.217 6.947 1.00 24.12 ? 42 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? 1.922 -25.373 5.763 1.00 23.00 ? 42 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? 2.920 -24.655 5.831 1.00 23.05 ? 42 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? 0.149 -25.629 7.417 1.00 24.49 ? 42 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -1.007 -26.663 8.371 1.00 26.19 ? 42 CYS A SG 1 ATOM 208 N N . ALA A 1 29 ? 1.145 -25.458 4.688 1.00 21.83 ? 43 ALA A N 1 ATOM 209 C CA . ALA A 1 29 ? 1.389 -24.672 3.490 1.00 24.44 ? 43 ALA A CA 1 ATOM 210 C C . ALA A 1 29 ? 0.120 -23.858 3.237 1.00 24.65 ? 43 ALA A C 1 ATOM 211 O O . ALA A 1 29 ? -0.852 -23.946 3.997 1.00 21.72 ? 43 ALA A O 1 ATOM 212 C CB . ALA A 1 29 ? 1.678 -25.583 2.295 1.00 20.88 ? 43 ALA A CB 1 ATOM 213 N N . GLY A 1 30 ? 0.142 -23.061 2.177 1.00 19.55 ? 44 GLY A N 1 ATOM 214 C CA . GLY A 1 30 ? -1.002 -22.243 1.819 1.00 18.93 ? 44 GLY A CA 1 ATOM 215 C C . GLY A 1 30 ? -0.820 -21.822 0.372 1.00 24.11 ? 44 GLY A C 1 ATOM 216 O O . GLY A 1 30 ? 0.189 -22.166 -0.240 1.00 23.40 ? 44 GLY A O 1 ATOM 217 N N . ALA A 1 31 ? -1.779 -21.088 -0.182 1.00 21.21 ? 45 ALA A N 1 ATOM 218 C CA . ALA A 1 31 ? -1.669 -20.631 -1.565 1.00 23.43 ? 45 ALA A CA 1 ATOM 219 C C . ALA A 1 31 ? -2.020 -19.152 -1.684 1.00 24.12 ? 45 ALA A C 1 ATOM 220 O O . ALA A 1 31 ? -2.998 -18.688 -1.100 1.00 22.45 ? 45 ALA A O 1 ATOM 221 C CB . ALA A 1 31 ? -2.578 -21.459 -2.461 1.00 18.15 ? 45 ALA A CB 1 ATOM 222 N N . LEU A 1 32 ? -1.207 -18.413 -2.432 1.00 24.17 ? 46 LEU A N 1 ATOM 223 C CA . LEU A 1 32 ? -1.437 -16.987 -2.647 1.00 22.96 ? 46 LEU A CA 1 ATOM 224 C C . LEU A 1 32 ? -2.544 -16.812 -3.691 1.00 24.92 ? 46 LEU A C 1 ATOM 225 O O . LEU A 1 32 ? -2.427 -17.320 -4.813 1.00 25.03 ? 46 LEU A O 1 ATOM 226 C CB . LEU A 1 32 ? -0.152 -16.320 -3.141 1.00 21.65 ? 46 LEU A CB 1 ATOM 227 C CG . LEU A 1 32 ? -0.153 -14.788 -3.226 1.00 23.05 ? 46 LEU A CG 1 ATOM 228 C CD1 . LEU A 1 32 ? -0.262 -14.215 -1.822 1.00 22.57 ? 46 LEU A CD1 1 ATOM 229 C CD2 . LEU A 1 32 ? 1.137 -14.296 -3.901 1.00 23.50 ? 46 LEU A CD2 1 ATOM 230 N N . ILE A 1 33 ? -3.602 -16.087 -3.319 1.00 21.77 ? 47 ILE A N 1 ATOM 231 C CA . ILE A 1 33 ? -4.757 -15.843 -4.196 1.00 29.23 ? 47 ILE A CA 1 ATOM 232 C C . ILE A 1 33 ? -4.623 -14.532 -4.966 1.00 26.17 ? 47 ILE A C 1 ATOM 233 O O . ILE A 1 33 ? -5.079 -14.415 -6.101 1.00 33.55 ? 47 ILE A O 1 ATOM 234 C CB . ILE A 1 33 ? -6.066 -15.809 -3.379 1.00 34.87 ? 47 ILE A CB 1 ATOM 235 C CG1 . ILE A 1 33 ? -6.278 -17.161 -2.703 1.00 44.17 ? 47 ILE A CG1 1 ATOM 236 C CG2 . ILE A 1 33 ? -7.244 -15.484 -4.284 1.00 42.22 ? 47 ILE A CG2 1 ATOM 237 C CD1 . ILE A 1 33 ? -6.149 -18.337 -3.654 1.00 30.52 ? 47 ILE A CD1 1 ATOM 238 N N . ASN A 1 34 ? -4.027 -13.539 -4.325 1.00 25.02 ? 48 ASN A N 1 ATOM 239 C CA . ASN A 1 34 ? -3.761 -12.251 -4.960 1.00 28.19 ? 48 ASN A CA 1 ATOM 240 C C . ASN A 1 34 ? -2.674 -11.605 -4.121 1.00 28.85 ? 48 ASN A C 1 ATOM 241 O O . ASN A 1 34 ? -2.123 -12.258 -3.239 1.00 30.12 ? 48 ASN A O 1 ATOM 242 C CB . ASN A 1 34 ? -5.015 -11.364 -5.048 1.00 29.22 ? 48 ASN A CB 1 ATOM 243 C CG . ASN A 1 34 ? -5.607 -11.042 -3.697 1.00 36.86 ? 48 ASN A CG 1 ATOM 244 O OD1 . ASN A 1 34 ? -4.887 -10.798 -2.732 1.00 32.72 ? 48 ASN A OD1 1 ATOM 245 N ND2 . ASN A 1 34 ? -6.935 -11.020 -3.627 1.00 43.80 ? 48 ASN A ND2 1 ATOM 246 N N . ARG A 1 35 ? -2.369 -10.336 -4.371 1.00 28.29 ? 49 ARG A N 1 ATOM 247 C CA . ARG A 1 35 ? -1.294 -9.664 -3.646 1.00 30.22 ? 49 ARG A CA 1 ATOM 248 C C . ARG A 1 35 ? -1.370 -9.598 -2.122 1.00 25.60 ? 49 ARG A C 1 ATOM 249 O O . ARG A 1 35 ? -0.355 -9.376 -1.470 1.00 26.60 ? 49 ARG A O 1 ATOM 250 C CB . ARG A 1 35 ? -1.092 -8.256 -4.213 1.00 35.03 ? 49 ARG A CB 1 ATOM 251 C CG . ARG A 1 35 ? -0.632 -8.267 -5.668 1.00 36.67 ? 49 ARG A CG 1 ATOM 252 C CD . ARG A 1 35 ? -0.394 -6.859 -6.189 1.00 40.51 ? 49 ARG A CD 1 ATOM 253 N NE . ARG A 1 35 ? 0.009 -6.853 -7.593 1.00 46.93 ? 49 ARG A NE 1 ATOM 254 C CZ . ARG A 1 35 ? -0.774 -7.209 -8.608 1.00 50.55 ? 49 ARG A CZ 1 ATOM 255 N NH1 . ARG A 1 35 ? -2.023 -7.610 -8.389 1.00 45.79 ? 49 ARG A NH1 1 ATOM 256 N NH2 . ARG A 1 35 ? -0.307 -7.157 -9.850 1.00 50.48 ? 49 ARG A NH2 1 ATOM 257 N N . GLU A 1 36 ? -2.544 -9.786 -1.535 1.00 27.32 ? 50 GLU A N 1 ATOM 258 C CA . GLU A 1 36 ? -2.594 -9.732 -0.076 1.00 28.60 ? 50 GLU A CA 1 ATOM 259 C C . GLU A 1 36 ? -3.457 -10.784 0.603 1.00 26.53 ? 50 GLU A C 1 ATOM 260 O O . GLU A 1 36 ? -3.776 -10.648 1.782 1.00 27.37 ? 50 GLU A O 1 ATOM 261 C CB . GLU A 1 36 ? -3.010 -8.328 0.391 1.00 31.79 ? 50 GLU A CB 1 ATOM 262 C CG . GLU A 1 36 ? -4.342 -7.845 -0.131 1.00 39.38 ? 50 GLU A CG 1 ATOM 263 C CD . GLU A 1 36 ? -4.624 -6.406 0.271 1.00 47.87 ? 50 GLU A CD 1 ATOM 264 O OE1 . GLU A 1 36 ? -4.570 -6.098 1.483 1.00 40.84 ? 50 GLU A OE1 1 ATOM 265 O OE2 . GLU A 1 36 ? -4.896 -5.583 -0.627 1.00 49.47 ? 50 GLU A OE2 1 ATOM 266 N N . TRP A 1 37 ? -3.810 -11.841 -0.127 1.00 26.04 ? 51 TRP A N 1 ATOM 267 C CA . TRP A 1 37 ? -4.631 -12.920 0.428 1.00 23.28 ? 51 TRP A CA 1 ATOM 268 C C . TRP A 1 37 ? -4.057 -14.312 0.179 1.00 25.29 ? 51 TRP A C 1 ATOM 269 O O . TRP A 1 37 ? -3.612 -14.636 -0.926 1.00 23.98 ? 51 TRP A O 1 ATOM 270 C CB . TRP A 1 37 ? -6.055 -12.876 -0.138 1.00 22.23 ? 51 TRP A CB 1 ATOM 271 C CG . TRP A 1 37 ? -6.845 -11.699 0.323 1.00 24.68 ? 51 TRP A CG 1 ATOM 272 C CD1 . TRP A 1 37 ? -6.850 -10.444 -0.219 1.00 27.40 ? 51 TRP A CD1 1 ATOM 273 C CD2 . TRP A 1 37 ? -7.713 -11.648 1.462 1.00 24.35 ? 51 TRP A CD2 1 ATOM 274 N NE1 . TRP A 1 37 ? -7.670 -9.614 0.514 1.00 28.39 ? 51 TRP A NE1 1 ATOM 275 C CE2 . TRP A 1 37 ? -8.211 -10.327 1.552 1.00 27.96 ? 51 TRP A CE2 1 ATOM 276 C CE3 . TRP A 1 37 ? -8.118 -12.590 2.415 1.00 24.17 ? 51 TRP A CE3 1 ATOM 277 C CZ2 . TRP A 1 37 ? -9.095 -9.924 2.563 1.00 27.97 ? 51 TRP A CZ2 1 ATOM 278 C CZ3 . TRP A 1 37 ? -8.997 -12.192 3.420 1.00 28.27 ? 51 TRP A CZ3 1 ATOM 279 C CH2 . TRP A 1 37 ? -9.475 -10.869 3.484 1.00 27.61 ? 51 TRP A CH2 1 ATOM 280 N N . VAL A 1 38 ? -4.089 -15.130 1.226 1.00 23.07 ? 52 VAL A N 1 ATOM 281 C CA . VAL A 1 38 ? -3.599 -16.502 1.184 1.00 22.62 ? 52 VAL A CA 1 ATOM 282 C C . VAL A 1 38 ? -4.718 -17.446 1.607 1.00 23.81 ? 52 VAL A C 1 ATOM 283 O O . VAL A 1 38 ? -5.435 -17.175 2.570 1.00 24.96 ? 52 VAL A O 1 ATOM 284 C CB . VAL A 1 38 ? -2.400 -16.700 2.155 1.00 22.81 ? 52 VAL A CB 1 ATOM 285 C CG1 . VAL A 1 38 ? -2.166 -18.192 2.407 1.00 19.58 ? 52 VAL A CG1 1 ATOM 286 C CG2 . VAL A 1 38 ? -1.141 -16.070 1.561 1.00 21.52 ? 52 VAL A CG2 1 ATOM 287 N N . LEU A 1 39 ? -4.850 -18.558 0.891 1.00 22.48 ? 53 LEU A N 1 ATOM 288 C CA . LEU A 1 39 ? -5.867 -19.557 1.182 1.00 25.58 ? 53 LEU A CA 1 ATOM 289 C C . LEU A 1 39 ? -5.170 -20.780 1.770 1.00 25.32 ? 53 LEU A C 1 ATOM 290 O O . LEU A 1 39 ? -4.166 -21.256 1.228 1.00 24.08 ? 53 LEU A O 1 ATOM 291 C CB . LEU A 1 39 ? -6.608 -19.940 -0.112 1.00 20.86 ? 53 LEU A CB 1 ATOM 292 C CG . LEU A 1 39 ? -7.771 -20.925 0.002 1.00 24.54 ? 53 LEU A CG 1 ATOM 293 C CD1 . LEU A 1 39 ? -8.851 -20.360 0.918 1.00 25.17 ? 53 LEU A CD1 1 ATOM 294 C CD2 . LEU A 1 39 ? -8.343 -21.195 -1.397 1.00 23.21 ? 53 LEU A CD2 1 ATOM 295 N N . THR A 1 40 ? -5.692 -21.283 2.882 1.00 21.22 ? 54 THR A N 1 ATOM 296 C CA . THR A 1 40 ? -5.094 -22.449 3.527 1.00 20.22 ? 54 THR A CA 1 ATOM 297 C C . THR A 1 40 ? -6.174 -23.212 4.302 1.00 24.00 ? 54 THR A C 1 ATOM 298 O O . THR A 1 40 ? -7.362 -22.929 4.140 1.00 22.82 ? 54 THR A O 1 ATOM 299 C CB . THR A 1 40 ? -3.947 -22.001 4.479 1.00 24.93 ? 54 THR A CB 1 ATOM 300 O OG1 . THR A 1 40 ? -3.319 -23.151 5.045 1.00 22.86 ? 54 THR A OG1 1 ATOM 301 C CG2 . THR A 1 40 ? -4.489 -21.098 5.605 1.00 21.63 ? 54 THR A CG2 1 ATOM 302 N N . ALA A 1 41 ? -5.772 -24.185 5.118 1.00 21.31 ? 55 ALA A N 1 ATOM 303 C CA . ALA A 1 41 ? -6.728 -24.959 5.910 1.00 22.33 ? 55 ALA A CA 1 ATOM 304 C C . ALA A 1 41 ? -6.927 -24.302 7.270 1.00 23.81 ? 55 ALA A C 1 ATOM 305 O O . ALA A 1 41 ? -5.990 -23.736 7.831 1.00 22.59 ? 55 ALA A O 1 ATOM 306 C CB . ALA A 1 41 ? -6.232 -26.383 6.101 1.00 21.29 ? 55 ALA A CB 1 ATOM 307 N N . ALA A 1 42 ? -8.146 -24.379 7.799 1.00 22.38 ? 56 ALA A N 1 ATOM 308 C CA . ALA A 1 42 ? -8.437 -23.781 9.098 1.00 23.56 ? 56 ALA A CA 1 ATOM 309 C C . ALA A 1 42 ? -7.583 -24.381 10.213 1.00 21.59 ? 56 ALA A C 1 ATOM 310 O O . ALA A 1 42 ? -7.112 -23.656 11.089 1.00 26.72 ? 56 ALA A O 1 ATOM 311 C CB . ALA A 1 42 ? -9.929 -23.950 9.445 1.00 24.99 ? 56 ALA A CB 1 ATOM 312 N N . HIS A 1 43 ? -7.371 -25.695 10.182 1.00 23.92 ? 57 HIS A N 1 ATOM 313 C CA . HIS A 1 43 ? -6.589 -26.333 11.238 1.00 25.80 ? 57 HIS A CA 1 ATOM 314 C C . HIS A 1 43 ? -5.117 -25.918 11.244 1.00 27.45 ? 57 HIS A C 1 ATOM 315 O O . HIS A 1 43 ? -4.381 -26.248 12.167 1.00 21.74 ? 57 HIS A O 1 ATOM 316 C CB . HIS A 1 43 ? -6.724 -27.871 11.188 1.00 25.23 ? 57 HIS A CB 1 ATOM 317 C CG . HIS A 1 43 ? -5.854 -28.545 10.168 1.00 26.99 ? 57 HIS A CG 1 ATOM 318 N ND1 . HIS A 1 43 ? -6.336 -28.992 8.956 1.00 29.35 ? 57 HIS A ND1 1 ATOM 319 C CD2 . HIS A 1 43 ? -4.540 -28.877 10.195 1.00 28.05 ? 57 HIS A CD2 1 ATOM 320 C CE1 . HIS A 1 43 ? -5.358 -29.572 8.281 1.00 30.65 ? 57 HIS A CE1 1 ATOM 321 N NE2 . HIS A 1 43 ? -4.258 -29.516 9.011 1.00 29.44 ? 57 HIS A NE2 1 ATOM 322 N N . CYS A 1 44 ? -4.701 -25.170 10.226 1.00 21.26 ? 58 CYS A N 1 ATOM 323 C CA . CYS A 1 44 ? -3.327 -24.692 10.130 1.00 20.89 ? 58 CYS A CA 1 ATOM 324 C C . CYS A 1 44 ? -3.142 -23.409 10.921 1.00 26.70 ? 58 CYS A C 1 ATOM 325 O O . CYS A 1 44 ? -2.029 -22.906 11.058 1.00 25.73 ? 58 CYS A O 1 ATOM 326 C CB . CYS A 1 44 ? -2.974 -24.422 8.673 1.00 22.44 ? 58 CYS A CB 1 ATOM 327 S SG . CYS A 1 44 ? -2.786 -25.929 7.687 1.00 25.20 ? 58 CYS A SG 1 ATOM 328 N N . ASP A 1 45 ? -4.244 -22.871 11.425 1.00 24.42 ? 59 ASP A N 1 ATOM 329 C CA . ASP A 1 45 ? -4.192 -21.637 12.187 1.00 27.19 ? 59 ASP A CA 1 ATOM 330 C C . ASP A 1 45 ? -3.367 -21.823 13.458 1.00 24.73 ? 59 ASP A C 1 ATOM 331 O O . ASP A 1 45 ? -3.329 -22.912 14.019 1.00 25.14 ? 59 ASP A O 1 ATOM 332 C CB . ASP A 1 45 ? -5.611 -21.199 12.566 1.00 25.24 ? 59 ASP A CB 1 ATOM 333 C CG . ASP A 1 45 ? -5.641 -19.842 13.219 1.00 29.15 ? 59 ASP A CG 1 ATOM 334 O OD1 . ASP A 1 45 ? -6.416 -19.670 14.182 1.00 29.73 ? 59 ASP A OD1 1 ATOM 335 O OD2 . ASP A 1 45 ? -4.899 -18.944 12.765 1.00 26.48 ? 59 ASP A OD2 1 ATOM 336 N N . ARG A 1 46 ? -2.711 -20.748 13.887 1.00 26.15 ? 60 ARG A N 1 ATOM 337 C CA . ARG A 1 46 ? -1.905 -20.726 15.111 1.00 29.64 ? 60 ARG A CA 1 ATOM 338 C C . ARG A 1 46 ? -1.959 -19.291 15.630 1.00 28.38 ? 60 ARG A C 1 ATOM 339 O O . ARG A 1 46 ? -2.267 -18.364 14.881 1.00 25.67 ? 60 ARG A O 1 ATOM 340 C CB . ARG A 1 46 ? -0.446 -21.107 14.825 1.00 25.99 ? 60 ARG A CB 1 ATOM 341 C CG . ARG A 1 46 ? -0.244 -22.515 14.268 1.00 26.03 ? 60 ARG A CG 1 ATOM 342 C CD . ARG A 1 46 ? -0.485 -23.584 15.327 1.00 27.29 ? 60 ARG A CD 1 ATOM 343 N NE . ARG A 1 46 ? -0.066 -24.914 14.878 1.00 28.46 ? 60 ARG A NE 1 ATOM 344 C CZ . ARG A 1 46 ? -0.785 -25.714 14.094 1.00 32.13 ? 60 ARG A CZ 1 ATOM 345 N NH1 . ARG A 1 46 ? -1.981 -25.331 13.658 1.00 29.23 ? 60 ARG A NH1 1 ATOM 346 N NH2 . ARG A 1 46 ? -0.305 -26.902 13.743 1.00 27.76 ? 60 ARG A NH2 1 ATOM 347 N N . ARG A 1 47 ? -1.649 -19.100 16.907 1.00 26.58 ? 62 ARG A N 1 ATOM 348 C CA . ARG A 1 47 ? -1.678 -17.774 17.499 1.00 27.96 ? 62 ARG A CA 1 ATOM 349 C C . ARG A 1 47 ? -0.869 -16.704 16.760 1.00 33.20 ? 62 ARG A C 1 ATOM 350 O O . ARG A 1 47 ? -1.411 -15.662 16.378 1.00 42.04 ? 62 ARG A O 1 ATOM 351 C CB . ARG A 1 47 ? -1.201 -17.846 18.955 1.00 31.56 ? 62 ARG A CB 1 ATOM 352 C CG . ARG A 1 47 ? -1.269 -16.512 19.670 1.00 33.30 ? 62 ARG A CG 1 ATOM 353 C CD . ARG A 1 47 ? -0.788 -16.639 21.105 1.00 34.77 ? 62 ARG A CD 1 ATOM 354 N NE . ARG A 1 47 ? -1.030 -15.415 21.856 1.00 38.36 ? 62 ARG A NE 1 ATOM 355 C CZ . ARG A 1 47 ? -0.616 -15.215 23.101 1.00 41.65 ? 62 ARG A CZ 1 ATOM 356 N NH1 . ARG A 1 47 ? -0.887 -14.070 23.708 1.00 39.22 ? 62 ARG A NH1 1 ATOM 357 N NH2 . ARG A 1 47 ? 0.076 -16.156 23.732 1.00 39.34 ? 62 ARG A NH2 1 ATOM 358 N N . ASN A 1 48 ? 0.423 -16.948 16.568 1.00 31.48 ? 63 ASN A N 1 ATOM 359 C CA . ASN A 1 48 ? 1.285 -15.974 15.892 1.00 33.98 ? 63 ASN A CA 1 ATOM 360 C C . ASN A 1 48 ? 1.817 -16.529 14.580 1.00 32.17 ? 63 ASN A C 1 ATOM 361 O O . ASN A 1 48 ? 2.998 -16.852 14.459 1.00 30.02 ? 63 ASN A O 1 ATOM 362 C CB . ASN A 1 48 ? 2.464 -15.594 16.790 1.00 31.16 ? 63 ASN A CB 1 ATOM 363 C CG . ASN A 1 48 ? 2.028 -14.878 18.053 1.00 37.99 ? 63 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 48 ? 1.409 -13.815 17.995 1.00 37.55 ? 63 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 48 ? 2.353 -15.458 19.206 1.00 37.94 ? 63 ASN A ND2 1 ATOM 366 N N . ILE A 1 49 ? 0.931 -16.639 13.601 1.00 29.79 ? 64 ILE A N 1 ATOM 367 C CA . ILE A 1 49 ? 1.293 -17.166 12.294 1.00 28.65 ? 64 ILE A CA 1 ATOM 368 C C . ILE A 1 49 ? 2.308 -16.308 11.549 1.00 24.64 ? 64 ILE A C 1 ATOM 369 O O . ILE A 1 49 ? 2.241 -15.082 11.571 1.00 29.71 ? 64 ILE A O 1 ATOM 370 C CB . ILE A 1 49 ? 0.046 -17.306 11.396 1.00 26.29 ? 64 ILE A CB 1 ATOM 371 C CG1 . ILE A 1 49 ? -0.800 -18.487 11.866 1.00 30.25 ? 64 ILE A CG1 1 ATOM 372 C CG2 . ILE A 1 49 ? 0.466 -17.471 9.929 1.00 29.44 ? 64 ILE A CG2 1 ATOM 373 C CD1 . ILE A 1 49 ? -0.165 -19.839 11.587 1.00 38.69 ? 64 ILE A CD1 1 ATOM 374 N N . ARG A 1 50 ? 3.248 -16.981 10.893 1.00 26.87 ? 65 ARG A N 1 ATOM 375 C CA . ARG A 1 50 ? 4.262 -16.327 10.077 1.00 24.76 ? 65 ARG A CA 1 ATOM 376 C C . ARG A 1 50 ? 4.147 -16.999 8.713 1.00 24.53 ? 65 ARG A C 1 ATOM 377 O O . ARG A 1 50 ? 3.985 -18.216 8.633 1.00 24.82 ? 65 ARG A O 1 ATOM 378 C CB . ARG A 1 50 ? 5.657 -16.544 10.670 1.00 30.02 ? 65 ARG A CB 1 ATOM 379 C CG . ARG A 1 50 ? 5.892 -15.778 11.981 1.00 35.49 ? 65 ARG A CG 1 ATOM 380 C CD . ARG A 1 50 ? 5.844 -14.276 11.740 1.00 38.86 ? 65 ARG A CD 1 ATOM 381 N NE . ARG A 1 50 ? 5.929 -13.489 12.970 1.00 51.46 ? 65 ARG A NE 1 ATOM 382 C CZ . ARG A 1 50 ? 4.907 -13.258 13.792 1.00 53.13 ? 65 ARG A CZ 1 ATOM 383 N NH1 . ARG A 1 50 ? 5.089 -12.530 14.886 1.00 57.94 ? 65 ARG A NH1 1 ATOM 384 N NH2 . ARG A 1 50 ? 3.701 -13.741 13.521 1.00 51.22 ? 65 ARG A NH2 1 ATOM 385 N N . ILE A 1 51 ? 4.215 -16.208 7.648 1.00 22.98 ? 66 ILE A N 1 ATOM 386 C CA . ILE A 1 51 ? 4.097 -16.740 6.299 1.00 22.76 ? 66 ILE A CA 1 ATOM 387 C C . ILE A 1 51 ? 5.326 -16.420 5.452 1.00 21.73 ? 66 ILE A C 1 ATOM 388 O O . ILE A 1 51 ? 5.751 -15.269 5.366 1.00 26.50 ? 66 ILE A O 1 ATOM 389 C CB . ILE A 1 51 ? 2.844 -16.163 5.612 1.00 25.18 ? 66 ILE A CB 1 ATOM 390 C CG1 . ILE A 1 51 ? 1.604 -16.518 6.443 1.00 26.50 ? 66 ILE A CG1 1 ATOM 391 C CG2 . ILE A 1 51 ? 2.715 -16.708 4.190 1.00 24.10 ? 66 ILE A CG2 1 ATOM 392 C CD1 . ILE A 1 51 ? 0.328 -15.903 5.925 1.00 36.58 ? 66 ILE A CD1 1 ATOM 393 N N . LYS A 1 52 ? 5.884 -17.450 4.830 1.00 23.65 ? 67 LYS A N 1 ATOM 394 C CA . LYS A 1 52 ? 7.049 -17.286 3.973 1.00 26.51 ? 67 LYS A CA 1 ATOM 395 C C . LYS A 1 52 ? 6.568 -17.395 2.528 1.00 19.99 ? 67 LYS A C 1 ATOM 396 O O . LYS A 1 52 ? 5.952 -18.394 2.148 1.00 22.57 ? 67 LYS A O 1 ATOM 397 C CB . LYS A 1 52 ? 8.061 -18.396 4.257 1.00 34.96 ? 67 LYS A CB 1 ATOM 398 C CG . LYS A 1 52 ? 9.489 -18.068 3.898 1.00 41.45 ? 67 LYS A CG 1 ATOM 399 C CD . LYS A 1 52 ? 10.109 -17.198 4.969 1.00 52.91 ? 67 LYS A CD 1 ATOM 400 C CE . LYS A 1 52 ? 11.616 -17.158 4.832 1.00 54.89 ? 67 LYS A CE 1 ATOM 401 N NZ . LYS A 1 52 ? 12.248 -16.399 5.938 1.00 64.65 ? 67 LYS A NZ 1 ATOM 402 N N . LEU A 1 53 ? 6.827 -16.364 1.729 1.00 20.84 ? 68 LEU A N 1 ATOM 403 C CA . LEU A 1 53 ? 6.424 -16.386 0.327 1.00 20.18 ? 68 LEU A CA 1 ATOM 404 C C . LEU A 1 53 ? 7.674 -16.341 -0.550 1.00 24.15 ? 68 LEU A C 1 ATOM 405 O O . LEU A 1 53 ? 8.699 -15.784 -0.144 1.00 25.91 ? 68 LEU A O 1 ATOM 406 C CB . LEU A 1 53 ? 5.516 -15.192 0.005 1.00 23.48 ? 68 LEU A CB 1 ATOM 407 C CG . LEU A 1 53 ? 4.259 -15.030 0.871 1.00 22.05 ? 68 LEU A CG 1 ATOM 408 C CD1 . LEU A 1 53 ? 4.556 -14.051 2.006 1.00 22.99 ? 68 LEU A CD1 1 ATOM 409 C CD2 . LEU A 1 53 ? 3.098 -14.504 0.030 1.00 28.74 ? 68 LEU A CD2 1 ATOM 410 N N . GLY A 1 54 ? 7.587 -16.927 -1.744 1.00 23.09 ? 69 GLY A N 1 ATOM 411 C CA . GLY A 1 54 ? 8.722 -16.931 -2.653 1.00 22.40 ? 69 GLY A CA 1 ATOM 412 C C . GLY A 1 54 ? 9.854 -17.851 -2.222 1.00 26.78 ? 69 GLY A C 1 ATOM 413 O O . GLY A 1 54 ? 10.994 -17.705 -2.670 1.00 27.83 ? 69 GLY A O 1 ATOM 414 N N . MET A 1 55 ? 9.555 -18.818 -1.362 1.00 24.41 ? 70 MET A N 1 ATOM 415 C CA . MET A 1 55 ? 10.603 -19.716 -0.895 1.00 24.40 ? 70 MET A CA 1 ATOM 416 C C . MET A 1 55 ? 10.593 -21.080 -1.562 1.00 23.58 ? 70 MET A C 1 ATOM 417 O O . MET A 1 55 ? 9.539 -21.598 -1.927 1.00 21.34 ? 70 MET A O 1 ATOM 418 C CB . MET A 1 55 ? 10.488 -19.911 0.625 1.00 28.88 ? 70 MET A CB 1 ATOM 419 C CG . MET A 1 55 ? 11.505 -20.892 1.205 1.00 26.60 ? 70 MET A CG 1 ATOM 420 S SD . MET A 1 55 ? 11.329 -21.100 3.002 1.00 30.79 ? 70 MET A SD 1 ATOM 421 C CE . MET A 1 55 ? 9.948 -22.218 3.066 1.00 23.19 ? 70 MET A CE 1 ATOM 422 N N . HIS A 1 56 ? 11.783 -21.644 -1.741 1.00 22.77 ? 71 HIS A N 1 ATOM 423 C CA . HIS A 1 56 ? 11.935 -22.989 -2.285 1.00 21.00 ? 71 HIS A CA 1 ATOM 424 C C . HIS A 1 56 ? 12.729 -23.681 -1.170 1.00 25.10 ? 71 HIS A C 1 ATOM 425 O O . HIS A 1 56 ? 12.145 -24.317 -0.288 1.00 24.11 ? 71 HIS A O 1 ATOM 426 C CB . HIS A 1 56 ? 12.714 -22.978 -3.609 1.00 21.57 ? 71 HIS A CB 1 ATOM 427 C CG . HIS A 1 56 ? 12.848 -24.332 -4.245 1.00 21.26 ? 71 HIS A CG 1 ATOM 428 N ND1 . HIS A 1 56 ? 11.837 -24.923 -4.972 1.00 22.21 ? 71 HIS A ND1 1 ATOM 429 C CD2 . HIS A 1 56 ? 13.874 -25.218 -4.241 1.00 20.70 ? 71 HIS A CD2 1 ATOM 430 C CE1 . HIS A 1 56 ? 12.234 -26.112 -5.391 1.00 25.44 ? 71 HIS A CE1 1 ATOM 431 N NE2 . HIS A 1 56 ? 13.467 -26.317 -4.960 1.00 21.38 ? 71 HIS A NE2 1 ATOM 432 N N . SER A 1 57 ? 14.052 -23.538 -1.169 1.00 26.74 ? 72 SER A N 1 ATOM 433 C CA . SER A 1 57 ? 14.847 -24.151 -0.102 1.00 24.12 ? 72 SER A CA 1 ATOM 434 C C . SER A 1 57 ? 14.770 -23.350 1.202 1.00 22.25 ? 72 SER A C 1 ATOM 435 O O . SER A 1 57 ? 14.804 -22.122 1.194 1.00 22.02 ? 72 SER A O 1 ATOM 436 C CB . SER A 1 57 ? 16.315 -24.274 -0.514 1.00 28.27 ? 72 SER A CB 1 ATOM 437 O OG . SER A 1 57 ? 17.119 -24.527 0.626 1.00 28.39 ? 72 SER A OG 1 ATOM 438 N N . LYS A 1 58 ? 14.678 -24.057 2.324 1.00 26.07 ? 73 LYS A N 1 ATOM 439 C CA . LYS A 1 58 ? 14.619 -23.415 3.637 1.00 30.15 ? 73 LYS A CA 1 ATOM 440 C C . LYS A 1 58 ? 16.014 -22.950 4.062 1.00 30.65 ? 73 LYS A C 1 ATOM 441 O O . LYS A 1 58 ? 16.164 -22.204 5.032 1.00 31.53 ? 73 LYS A O 1 ATOM 442 C CB . LYS A 1 58 ? 14.072 -24.408 4.672 1.00 32.42 ? 73 LYS A CB 1 ATOM 443 C CG . LYS A 1 58 ? 12.664 -24.881 4.360 1.00 40.53 ? 73 LYS A CG 1 ATOM 444 C CD . LYS A 1 58 ? 12.404 -26.300 4.851 1.00 49.67 ? 73 LYS A CD 1 ATOM 445 C CE . LYS A 1 58 ? 12.499 -26.424 6.353 1.00 49.05 ? 73 LYS A CE 1 ATOM 446 N NZ . LYS A 1 58 ? 12.102 -27.796 6.785 1.00 53.31 ? 73 LYS A NZ 1 ATOM 447 N N . ASN A 1 59 ? 17.031 -23.383 3.323 1.00 31.51 ? 74 ASN A N 1 ATOM 448 C CA . ASN A 1 59 ? 18.411 -23.036 3.645 1.00 35.82 ? 74 ASN A CA 1 ATOM 449 C C . ASN A 1 59 ? 19.108 -22.116 2.642 1.00 35.68 ? 74 ASN A C 1 ATOM 450 O O . ASN A 1 59 ? 20.195 -21.616 2.912 1.00 34.98 ? 74 ASN A O 1 ATOM 451 C CB . ASN A 1 59 ? 19.234 -24.319 3.834 1.00 33.00 ? 74 ASN A CB 1 ATOM 452 C CG . ASN A 1 59 ? 18.782 -25.118 5.037 1.00 41.88 ? 74 ASN A CG 1 ATOM 453 O OD1 . ASN A 1 59 ? 18.658 -24.577 6.132 1.00 40.06 ? 74 ASN A OD1 1 ATOM 454 N ND2 . ASN A 1 59 ? 18.537 -26.411 4.843 1.00 44.69 ? 74 ASN A ND2 1 ATOM 455 N N . ILE A 1 60 ? 18.491 -21.899 1.485 1.00 31.74 ? 75 ILE A N 1 ATOM 456 C CA . ILE A 1 60 ? 19.062 -21.009 0.473 1.00 32.15 ? 75 ILE A CA 1 ATOM 457 C C . ILE A 1 60 ? 17.899 -20.128 0.057 1.00 31.32 ? 75 ILE A C 1 ATOM 458 O O . ILE A 1 60 ? 17.020 -20.581 -0.671 1.00 26.19 ? 75 ILE A O 1 ATOM 459 C CB . ILE A 1 60 ? 19.559 -21.795 -0.755 1.00 33.55 ? 75 ILE A CB 1 ATOM 460 C CG1 . ILE A 1 60 ? 20.569 -22.863 -0.323 1.00 33.75 ? 75 ILE A CG1 1 ATOM 461 C CG2 . ILE A 1 60 ? 20.193 -20.837 -1.761 1.00 35.99 ? 75 ILE A CG2 1 ATOM 462 C CD1 . ILE A 1 60 ? 20.924 -23.846 -1.426 1.00 39.23 ? 75 ILE A CD1 1 ATOM 463 N N . ARG A 1 61 ? 17.878 -18.876 0.505 1.00 28.68 ? 76 ARG A N 1 ATOM 464 C CA . ARG A 1 61 ? 16.743 -18.025 0.173 1.00 35.64 ? 76 ARG A CA 1 ATOM 465 C C . ARG A 1 61 ? 16.747 -17.426 -1.222 1.00 32.03 ? 76 ARG A C 1 ATOM 466 O O . ARG A 1 61 ? 17.783 -17.000 -1.738 1.00 31.07 ? 76 ARG A O 1 ATOM 467 C CB . ARG A 1 61 ? 16.568 -16.912 1.220 1.00 38.35 ? 76 ARG A CB 1 ATOM 468 C CG . ARG A 1 61 ? 17.658 -15.869 1.258 1.00 48.25 ? 76 ARG A CG 1 ATOM 469 C CD . ARG A 1 61 ? 17.436 -14.885 2.412 1.00 52.51 ? 76 ARG A CD 1 ATOM 470 N NE . ARG A 1 61 ? 16.283 -14.002 2.224 1.00 51.62 ? 76 ARG A NE 1 ATOM 471 C CZ . ARG A 1 61 ? 16.189 -13.074 1.272 1.00 54.73 ? 76 ARG A CZ 1 ATOM 472 N NH1 . ARG A 1 61 ? 15.104 -12.315 1.183 1.00 52.96 ? 76 ARG A NH1 1 ATOM 473 N NH2 . ARG A 1 61 ? 17.175 -12.905 0.402 1.00 50.43 ? 76 ARG A NH2 1 ATOM 474 N N . ASN A 1 62 ? 15.570 -17.426 -1.840 1.00 30.54 ? 77 ASN A N 1 ATOM 475 C CA . ASN A 1 62 ? 15.414 -16.852 -3.162 1.00 28.50 ? 77 ASN A CA 1 ATOM 476 C C . ASN A 1 62 ? 15.568 -15.353 -2.999 1.00 31.51 ? 77 ASN A C 1 ATOM 477 O O . ASN A 1 62 ? 15.330 -14.807 -1.919 1.00 28.03 ? 77 ASN A O 1 ATOM 478 C CB . ASN A 1 62 ? 14.038 -17.182 -3.749 1.00 28.65 ? 77 ASN A CB 1 ATOM 479 C CG . ASN A 1 62 ? 13.947 -18.622 -4.237 1.00 34.37 ? 77 ASN A CG 1 ATOM 480 O OD1 . ASN A 1 62 ? 14.954 -19.222 -4.603 1.00 28.89 ? 77 ASN A OD1 1 ATOM 481 N ND2 . ASN A 1 62 ? 12.736 -19.172 -4.266 1.00 23.48 ? 77 ASN A ND2 1 ATOM 482 N N . GLU A 1 63 ? 15.972 -14.694 -4.075 1.00 29.22 ? 78 GLU A N 1 ATOM 483 C CA . GLU A 1 63 ? 16.189 -13.260 -4.058 1.00 35.88 ? 78 GLU A CA 1 ATOM 484 C C . GLU A 1 63 ? 14.920 -12.502 -3.666 1.00 35.95 ? 78 GLU A C 1 ATOM 485 O O . GLU A 1 63 ? 14.983 -11.466 -3.000 1.00 31.20 ? 78 GLU A O 1 ATOM 486 C CB . GLU A 1 63 ? 16.667 -12.816 -5.448 1.00 39.06 ? 78 GLU A CB 1 ATOM 487 C CG . GLU A 1 63 ? 17.230 -11.413 -5.518 1.00 48.12 ? 78 GLU A CG 1 ATOM 488 C CD . GLU A 1 63 ? 17.794 -11.073 -6.895 1.00 52.02 ? 78 GLU A CD 1 ATOM 489 O OE1 . GLU A 1 63 ? 18.318 -9.950 -7.050 1.00 53.61 ? 78 GLU A OE1 1 ATOM 490 O OE2 . GLU A 1 63 ? 17.712 -11.919 -7.819 1.00 42.81 ? 78 GLU A OE2 1 ATOM 491 N N . ASP A 1 64 ? 13.770 -13.032 -4.073 1.00 30.79 ? 79 ASP A N 1 ATOM 492 C CA . ASP A 1 64 ? 12.496 -12.384 -3.798 1.00 29.04 ? 79 ASP A CA 1 ATOM 493 C C . ASP A 1 64 ? 11.690 -12.962 -2.635 1.00 31.74 ? 79 ASP A C 1 ATOM 494 O O . ASP A 1 64 ? 10.505 -12.664 -2.487 1.00 26.50 ? 79 ASP A O 1 ATOM 495 C CB . ASP A 1 64 ? 11.633 -12.371 -5.071 1.00 26.45 ? 79 ASP A CB 1 ATOM 496 C CG . ASP A 1 64 ? 11.559 -13.730 -5.759 1.00 24.67 ? 79 ASP A CG 1 ATOM 497 O OD1 . ASP A 1 64 ? 10.713 -13.880 -6.665 1.00 26.27 ? 79 ASP A OD1 1 ATOM 498 O OD2 . ASP A 1 64 ? 12.338 -14.645 -5.410 1.00 28.36 ? 79 ASP A OD2 1 ATOM 499 N N . GLU A 1 65 ? 12.332 -13.771 -1.801 1.00 26.75 ? 80 GLU A N 1 ATOM 500 C CA . GLU A 1 65 ? 11.650 -14.368 -0.658 1.00 29.17 ? 80 GLU A CA 1 ATOM 501 C C . GLU A 1 65 ? 11.121 -13.260 0.269 1.00 29.33 ? 80 GLU A C 1 ATOM 502 O O . GLU A 1 65 ? 11.795 -12.258 0.504 1.00 29.36 ? 80 GLU A O 1 ATOM 503 C CB . GLU A 1 65 ? 12.628 -15.285 0.085 1.00 30.30 ? 80 GLU A CB 1 ATOM 504 C CG . GLU A 1 65 ? 11.984 -16.300 1.000 1.00 41.10 ? 80 GLU A CG 1 ATOM 505 C CD . GLU A 1 65 ? 12.965 -17.374 1.427 1.00 41.48 ? 80 GLU A CD 1 ATOM 506 O OE1 . GLU A 1 65 ? 13.482 -18.088 0.544 1.00 47.14 ? 80 GLU A OE1 1 ATOM 507 O OE2 . GLU A 1 65 ? 13.227 -17.500 2.636 1.00 47.91 ? 80 GLU A OE2 1 ATOM 508 N N . GLN A 1 66 ? 9.909 -13.439 0.787 1.00 26.54 ? 81 GLN A N 1 ATOM 509 C CA . GLN A 1 66 ? 9.291 -12.446 1.666 1.00 29.55 ? 81 GLN A CA 1 ATOM 510 C C . GLN A 1 66 ? 8.659 -13.105 2.888 1.00 30.53 ? 81 GLN A C 1 ATOM 511 O O . GLN A 1 66 ? 8.296 -14.281 2.851 1.00 25.50 ? 81 GLN A O 1 ATOM 512 C CB . GLN A 1 66 ? 8.192 -11.682 0.916 1.00 30.36 ? 81 GLN A CB 1 ATOM 513 C CG . GLN A 1 66 ? 8.661 -10.818 -0.246 1.00 34.00 ? 81 GLN A CG 1 ATOM 514 C CD . GLN A 1 66 ? 9.340 -9.542 0.213 1.00 43.67 ? 81 GLN A CD 1 ATOM 515 O OE1 . GLN A 1 66 ? 8.791 -8.788 1.018 1.00 41.29 ? 81 GLN A OE1 1 ATOM 516 N NE2 . GLN A 1 66 ? 10.533 -9.289 -0.303 1.00 46.73 ? 81 GLN A NE2 1 ATOM 517 N N . ILE A 1 67 ? 8.527 -12.331 3.961 1.00 29.43 ? 82 ILE A N 1 ATOM 518 C CA . ILE A 1 67 ? 7.909 -12.810 5.196 1.00 31.73 ? 82 ILE A CA 1 ATOM 519 C C . ILE A 1 67 ? 6.757 -11.869 5.503 1.00 30.53 ? 82 ILE A C 1 ATOM 520 O O . ILE A 1 67 ? 6.890 -10.653 5.361 1.00 31.28 ? 82 ILE A O 1 ATOM 521 C CB . ILE A 1 67 ? 8.884 -12.779 6.392 1.00 29.70 ? 82 ILE A CB 1 ATOM 522 C CG1 . ILE A 1 67 ? 10.025 -13.767 6.167 1.00 31.59 ? 82 ILE A CG1 1 ATOM 523 C CG2 . ILE A 1 67 ? 8.139 -13.124 7.684 1.00 31.81 ? 82 ILE A CG2 1 ATOM 524 C CD1 . ILE A 1 67 ? 11.030 -13.795 7.305 1.00 35.06 ? 82 ILE A CD1 1 ATOM 525 N N . ARG A 1 68 ? 5.628 -12.431 5.918 1.00 27.39 ? 83 ARG A N 1 ATOM 526 C CA . ARG A 1 68 ? 4.457 -11.626 6.235 1.00 24.20 ? 83 ARG A CA 1 ATOM 527 C C . ARG A 1 68 ? 3.689 -12.193 7.425 1.00 28.10 ? 83 ARG A C 1 ATOM 528 O O . ARG A 1 68 ? 3.792 -13.379 7.735 1.00 29.43 ? 83 ARG A O 1 ATOM 529 C CB . ARG A 1 68 ? 3.519 -11.572 5.026 1.00 28.14 ? 83 ARG A CB 1 ATOM 530 C CG . ARG A 1 68 ? 4.058 -10.811 3.825 1.00 28.57 ? 83 ARG A CG 1 ATOM 531 C CD . ARG A 1 68 ? 4.040 -9.309 4.078 1.00 31.70 ? 83 ARG A CD 1 ATOM 532 N NE . ARG A 1 68 ? 4.387 -8.549 2.879 1.00 33.69 ? 83 ARG A NE 1 ATOM 533 C CZ . ARG A 1 68 ? 5.623 -8.418 2.404 1.00 32.04 ? 83 ARG A CZ 1 ATOM 534 N NH1 . ARG A 1 68 ? 6.640 -8.994 3.028 1.00 28.72 ? 83 ARG A NH1 1 ATOM 535 N NH2 . ARG A 1 68 ? 5.842 -7.711 1.302 1.00 32.02 ? 83 ARG A NH2 1 ATOM 536 N N . VAL A 1 69 ? 2.928 -11.331 8.091 1.00 25.60 ? 84 VAL A N 1 ATOM 537 C CA . VAL A 1 69 ? 2.095 -11.752 9.213 1.00 30.05 ? 84 VAL A CA 1 ATOM 538 C C . VAL A 1 69 ? 0.669 -11.405 8.821 1.00 27.77 ? 84 VAL A C 1 ATOM 539 O O . VAL A 1 69 ? 0.445 -10.570 7.948 1.00 31.40 ? 84 VAL A O 1 ATOM 540 C CB . VAL A 1 69 ? 2.444 -11.016 10.527 1.00 30.56 ? 84 VAL A CB 1 ATOM 541 C CG1 . VAL A 1 69 ? 3.855 -11.369 10.951 1.00 37.81 ? 84 VAL A CG1 1 ATOM 542 C CG2 . VAL A 1 69 ? 2.286 -9.516 10.350 1.00 37.22 ? 84 VAL A CG2 1 ATOM 543 N N . PRO A 1 70 ? -0.319 -12.047 9.450 1.00 29.03 ? 85 PRO A N 1 ATOM 544 C CA . PRO A 1 70 ? -1.703 -11.731 9.087 1.00 31.90 ? 85 PRO A CA 1 ATOM 545 C C . PRO A 1 70 ? -2.197 -10.407 9.658 1.00 32.28 ? 85 PRO A C 1 ATOM 546 O O . PRO A 1 70 ? -1.713 -9.952 10.695 1.00 33.73 ? 85 PRO A O 1 ATOM 547 C CB . PRO A 1 70 ? -2.496 -12.903 9.680 1.00 32.37 ? 85 PRO A CB 1 ATOM 548 C CG . PRO A 1 70 ? -1.467 -14.007 9.839 1.00 30.59 ? 85 PRO A CG 1 ATOM 549 C CD . PRO A 1 70 ? -0.262 -13.242 10.306 1.00 27.81 ? 85 PRO A CD 1 ATOM 550 N N . ARG A 1 71 ? -3.153 -9.787 8.971 1.00 31.36 ? 86 ARG A N 1 ATOM 551 C CA . ARG A 1 71 ? -3.778 -8.571 9.483 1.00 35.96 ? 86 ARG A CA 1 ATOM 552 C C . ARG A 1 71 ? -5.236 -8.967 9.716 1.00 35.10 ? 86 ARG A C 1 ATOM 553 O O . ARG A 1 71 ? -6.015 -8.225 10.312 1.00 38.24 ? 86 ARG A O 1 ATOM 554 C CB . ARG A 1 71 ? -3.697 -7.408 8.486 1.00 36.97 ? 86 ARG A CB 1 ATOM 555 C CG . ARG A 1 71 ? -4.401 -7.636 7.164 1.00 46.08 ? 86 ARG A CG 1 ATOM 556 C CD . ARG A 1 71 ? -4.412 -6.360 6.328 1.00 50.34 ? 86 ARG A CD 1 ATOM 557 N NE . ARG A 1 71 ? -5.253 -5.321 6.919 1.00 56.16 ? 86 ARG A NE 1 ATOM 558 C CZ . ARG A 1 71 ? -5.403 -4.100 6.412 1.00 60.39 ? 86 ARG A CZ 1 ATOM 559 N NH1 . ARG A 1 71 ? -4.765 -3.756 5.301 1.00 60.24 ? 86 ARG A NH1 1 ATOM 560 N NH2 . ARG A 1 71 ? -6.197 -3.223 7.013 1.00 60.10 ? 86 ARG A NH2 1 ATOM 561 N N . GLY A 1 72 ? -5.585 -10.160 9.242 1.00 32.40 ? 87 GLY A N 1 ATOM 562 C CA . GLY A 1 72 ? -6.932 -10.677 9.401 1.00 32.25 ? 87 GLY A CA 1 ATOM 563 C C . GLY A 1 72 ? -6.998 -12.146 9.026 1.00 31.60 ? 87 GLY A C 1 ATOM 564 O O . GLY A 1 72 ? -6.265 -12.595 8.145 1.00 27.44 ? 87 GLY A O 1 ATOM 565 N N . LYS A 1 73 ? -7.859 -12.902 9.703 1.00 24.55 ? 88 LYS A N 1 ATOM 566 C CA . LYS A 1 73 ? -8.025 -14.326 9.429 1.00 23.92 ? 88 LYS A CA 1 ATOM 567 C C . LYS A 1 73 ? -9.519 -14.624 9.433 1.00 29.16 ? 88 LYS A C 1 ATOM 568 O O . LYS A 1 73 ? -10.226 -14.258 10.376 1.00 31.80 ? 88 LYS A O 1 ATOM 569 C CB . LYS A 1 73 ? -7.295 -15.166 10.487 1.00 27.11 ? 88 LYS A CB 1 ATOM 570 C CG . LYS A 1 73 ? -5.770 -15.003 10.443 1.00 26.19 ? 88 LYS A CG 1 ATOM 571 C CD . LYS A 1 73 ? -5.037 -15.991 11.353 1.00 28.55 ? 88 LYS A CD 1 ATOM 572 C CE . LYS A 1 73 ? -5.165 -15.613 12.827 1.00 26.85 ? 88 LYS A CE 1 ATOM 573 N NZ . LYS A 1 73 ? -4.299 -16.485 13.677 1.00 21.51 ? 88 LYS A NZ 1 ATOM 574 N N . TYR A 1 74 ? -10.005 -15.289 8.388 1.00 25.37 ? 89 TYR A N 1 ATOM 575 C CA . TYR A 1 74 ? -11.438 -15.566 8.290 1.00 27.69 ? 89 TYR A CA 1 ATOM 576 C C . TYR A 1 74 ? -11.797 -17.036 8.109 1.00 25.31 ? 89 TYR A C 1 ATOM 577 O O . TYR A 1 74 ? -11.164 -17.750 7.330 1.00 25.31 ? 89 TYR A O 1 ATOM 578 C CB . TYR A 1 74 ? -12.028 -14.718 7.161 1.00 27.57 ? 89 TYR A CB 1 ATOM 579 C CG . TYR A 1 74 ? -11.558 -13.281 7.238 1.00 28.52 ? 89 TYR A CG 1 ATOM 580 C CD1 . TYR A 1 74 ? -10.314 -12.914 6.733 1.00 29.91 ? 89 TYR A CD1 1 ATOM 581 C CD2 . TYR A 1 74 ? -12.317 -12.308 7.895 1.00 32.93 ? 89 TYR A CD2 1 ATOM 582 C CE1 . TYR A 1 74 ? -9.827 -11.619 6.882 1.00 32.57 ? 89 TYR A CE1 1 ATOM 583 C CE2 . TYR A 1 74 ? -11.836 -11.001 8.051 1.00 32.78 ? 89 TYR A CE2 1 ATOM 584 C CZ . TYR A 1 74 ? -10.588 -10.670 7.544 1.00 35.02 ? 89 TYR A CZ 1 ATOM 585 O OH . TYR A 1 74 ? -10.076 -9.405 7.718 1.00 35.23 ? 89 TYR A OH 1 ATOM 586 N N . PHE A 1 75 ? -12.835 -17.469 8.826 1.00 20.54 ? 90 PHE A N 1 ATOM 587 C CA . PHE A 1 75 ? -13.285 -18.860 8.806 1.00 22.24 ? 90 PHE A CA 1 ATOM 588 C C . PHE A 1 75 ? -14.770 -19.006 8.519 1.00 26.56 ? 90 PHE A C 1 ATOM 589 O O . PHE A 1 75 ? -15.522 -18.029 8.505 1.00 21.43 ? 90 PHE A O 1 ATOM 590 C CB . PHE A 1 75 ? -13.067 -19.522 10.174 1.00 25.83 ? 90 PHE A CB 1 ATOM 591 C CG . PHE A 1 75 ? -11.714 -19.299 10.761 1.00 27.69 ? 90 PHE A CG 1 ATOM 592 C CD1 . PHE A 1 75 ? -11.389 -18.085 11.361 1.00 27.10 ? 90 PHE A CD1 1 ATOM 593 C CD2 . PHE A 1 75 ? -10.762 -20.310 10.725 1.00 22.34 ? 90 PHE A CD2 1 ATOM 594 C CE1 . PHE A 1 75 ? -10.131 -17.885 11.921 1.00 29.71 ? 90 PHE A CE1 1 ATOM 595 C CE2 . PHE A 1 75 ? -9.498 -20.118 11.284 1.00 25.66 ? 90 PHE A CE2 1 ATOM 596 C CZ . PHE A 1 75 ? -9.184 -18.906 11.881 1.00 25.15 ? 90 PHE A CZ 1 ATOM 597 N N . CYS A 1 76 ? -15.175 -20.254 8.306 1.00 23.52 ? 91 CYS A N 1 ATOM 598 C CA . CYS A 1 76 ? -16.575 -20.588 8.106 1.00 26.71 ? 91 CYS A CA 1 ATOM 599 C C . CYS A 1 76 ? -17.089 -20.650 9.533 1.00 27.32 ? 91 CYS A C 1 ATOM 600 O O . CYS A 1 76 ? -16.435 -21.241 10.395 1.00 25.00 ? 91 CYS A O 1 ATOM 601 C CB . CYS A 1 76 ? -16.732 -21.972 7.494 1.00 25.06 ? 91 CYS A CB 1 ATOM 602 S SG . CYS A 1 76 ? -16.228 -22.106 5.752 1.00 26.94 ? 91 CYS A SG 1 ATOM 603 N N . LEU A 1 77 ? -18.243 -20.052 9.796 1.00 25.93 ? 92 LEU A N 1 ATOM 604 C CA . LEU A 1 77 ? -18.765 -20.086 11.156 1.00 30.41 ? 92 LEU A CA 1 ATOM 605 C C . LEU A 1 77 ? -20.005 -20.960 11.296 1.00 35.06 ? 92 LEU A C 1 ATOM 606 O O . LEU A 1 77 ? -20.546 -21.107 12.391 1.00 37.15 ? 92 LEU A O 1 ATOM 607 C CB . LEU A 1 77 ? -19.045 -18.661 11.639 1.00 31.85 ? 92 LEU A CB 1 ATOM 608 C CG . LEU A 1 77 ? -17.802 -17.759 11.639 1.00 35.19 ? 92 LEU A CG 1 ATOM 609 C CD1 . LEU A 1 77 ? -18.151 -16.396 12.231 1.00 35.65 ? 92 LEU A CD1 1 ATOM 610 C CD2 . LEU A 1 77 ? -16.677 -18.419 12.438 1.00 28.09 ? 92 LEU A CD2 1 ATOM 611 N N . ASN A 1 78 ? -20.439 -21.550 10.182 1.00 28.72 ? 93 ASN A N 1 ATOM 612 C CA . ASN A 1 78 ? -21.610 -22.428 10.164 1.00 32.86 ? 93 ASN A CA 1 ATOM 613 C C . ASN A 1 78 ? -21.152 -23.851 9.847 1.00 31.63 ? 93 ASN A C 1 ATOM 614 O O . ASN A 1 78 ? -21.459 -24.389 8.790 1.00 37.18 ? 93 ASN A O 1 ATOM 615 C CB . ASN A 1 78 ? -22.602 -21.950 9.097 1.00 30.87 ? 93 ASN A CB 1 ATOM 616 C CG . ASN A 1 78 ? -22.006 -21.969 7.694 1.00 43.28 ? 93 ASN A CG 1 ATOM 617 O OD1 . ASN A 1 78 ? -20.786 -22.041 7.523 1.00 42.07 ? 93 ASN A OD1 1 ATOM 618 N ND2 . ASN A 1 78 ? -22.865 -21.893 6.686 1.00 35.27 ? 93 ASN A ND2 1 ATOM 619 N N . THR A 1 79 ? -20.409 -24.455 10.769 1.00 33.06 ? 94 THR A N 1 ATOM 620 C CA . THR A 1 79 ? -19.889 -25.802 10.566 1.00 28.41 ? 94 THR A CA 1 ATOM 621 C C . THR A 1 79 ? -20.673 -26.858 11.329 1.00 32.94 ? 94 THR A C 1 ATOM 622 O O . THR A 1 79 ? -21.389 -26.545 12.280 1.00 29.67 ? 94 THR A O 1 ATOM 623 C CB . THR A 1 79 ? -18.421 -25.883 10.993 1.00 30.39 ? 94 THR A CB 1 ATOM 624 O OG1 . THR A 1 79 ? -18.314 -25.590 12.393 1.00 29.30 ? 94 THR A OG1 1 ATOM 625 C CG2 . THR A 1 79 ? -17.590 -24.876 10.204 1.00 22.23 ? 94 THR A CG2 1 ATOM 626 N N . LYS A 1 80 ? -20.533 -28.112 10.911 1.00 28.49 ? 95 LYS A N 1 ATOM 627 C CA . LYS A 1 80 ? -21.237 -29.205 11.567 1.00 32.79 ? 95 LYS A CA 1 ATOM 628 C C . LYS A 1 80 ? -20.520 -29.618 12.839 1.00 30.33 ? 95 LYS A C 1 ATOM 629 O O . LYS A 1 80 ? -21.148 -30.067 13.800 1.00 33.40 ? 95 LYS A O 1 ATOM 630 C CB . LYS A 1 80 ? -21.367 -30.402 10.620 1.00 36.64 ? 95 LYS A CB 1 ATOM 631 C CG . LYS A 1 80 ? -22.475 -30.246 9.593 1.00 42.29 ? 95 LYS A CG 1 ATOM 632 C CD . LYS A 1 80 ? -22.634 -31.506 8.749 1.00 54.33 ? 95 LYS A CD 1 ATOM 633 C CE . LYS A 1 80 ? -23.943 -31.491 7.971 1.00 56.64 ? 95 LYS A CE 1 ATOM 634 N NZ . LYS A 1 80 ? -24.080 -30.281 7.114 1.00 59.87 ? 95 LYS A NZ 1 ATOM 635 N N . PHE A 1 81 A -19.201 -29.479 12.839 1.00 24.13 ? 95 PHE A N 1 ATOM 636 C CA . PHE A 1 81 A -18.407 -29.822 14.008 1.00 30.44 ? 95 PHE A CA 1 ATOM 637 C C . PHE A 1 81 A -17.997 -28.509 14.644 1.00 31.66 ? 95 PHE A C 1 ATOM 638 O O . PHE A 1 81 A -17.656 -27.561 13.940 1.00 29.47 ? 95 PHE A O 1 ATOM 639 C CB . PHE A 1 81 A -17.136 -30.578 13.623 1.00 31.54 ? 95 PHE A CB 1 ATOM 640 C CG . PHE A 1 81 A -17.380 -31.854 12.862 1.00 42.94 ? 95 PHE A CG 1 ATOM 641 C CD1 . PHE A 1 81 A -16.314 -32.540 12.293 1.00 47.75 ? 95 PHE A CD1 1 ATOM 642 C CD2 . PHE A 1 81 A -18.664 -32.372 12.716 1.00 49.37 ? 95 PHE A CD2 1 ATOM 643 C CE1 . PHE A 1 81 A -16.521 -33.724 11.588 1.00 55.01 ? 95 PHE A CE1 1 ATOM 644 C CE2 . PHE A 1 81 A -18.882 -33.557 12.013 1.00 50.93 ? 95 PHE A CE2 1 ATOM 645 C CZ . PHE A 1 81 A -17.808 -34.233 11.449 1.00 50.42 ? 95 PHE A CZ 1 ATOM 646 N N . PRO A 1 82 ? -18.021 -28.436 15.981 1.00 32.86 ? 96 PRO A N 1 ATOM 647 C CA . PRO A 1 82 ? -17.630 -27.198 16.658 1.00 30.84 ? 96 PRO A CA 1 ATOM 648 C C . PRO A 1 82 ? -16.183 -26.805 16.382 1.00 30.49 ? 96 PRO A C 1 ATOM 649 O O . PRO A 1 82 ? -15.859 -25.616 16.378 1.00 31.39 ? 96 PRO A O 1 ATOM 650 C CB . PRO A 1 82 ? -17.900 -27.503 18.138 1.00 32.71 ? 96 PRO A CB 1 ATOM 651 C CG . PRO A 1 82 ? -17.860 -29.004 18.211 1.00 38.32 ? 96 PRO A CG 1 ATOM 652 C CD . PRO A 1 82 ? -18.557 -29.414 16.944 1.00 33.68 ? 96 PRO A CD 1 ATOM 653 N N . ASN A 1 83 ? -15.312 -27.787 16.137 1.00 29.11 ? 97 ASN A N 1 ATOM 654 C CA . ASN A 1 83 ? -13.912 -27.473 15.853 1.00 27.49 ? 97 ASN A CA 1 ATOM 655 C C . ASN A 1 83 ? -13.756 -27.002 14.413 1.00 28.21 ? 97 ASN A C 1 ATOM 656 O O . ASN A 1 83 ? -12.661 -26.637 13.984 1.00 28.22 ? 97 ASN A O 1 ATOM 657 C CB . ASN A 1 83 ? -12.993 -28.677 16.112 1.00 33.01 ? 97 ASN A CB 1 ATOM 658 C CG . ASN A 1 83 ? -13.279 -29.857 15.197 1.00 32.03 ? 97 ASN A CG 1 ATOM 659 O OD1 . ASN A 1 83 ? -14.005 -29.743 14.213 1.00 28.12 ? 97 ASN A OD1 1 ATOM 660 N ND2 . ASN A 1 83 ? -12.694 -31.002 15.523 1.00 43.84 ? 97 ASN A ND2 1 ATOM 661 N N . GLY A 1 84 ? -14.867 -27.019 13.679 1.00 25.08 ? 98 GLY A N 1 ATOM 662 C CA . GLY A 1 84 ? -14.892 -26.575 12.294 1.00 23.70 ? 98 GLY A CA 1 ATOM 663 C C . GLY A 1 84 ? -14.138 -27.400 11.261 1.00 27.15 ? 98 GLY A C 1 ATOM 664 O O . GLY A 1 84 ? -13.941 -26.943 10.141 1.00 28.95 ? 98 GLY A O 1 ATOM 665 N N . LEU A 1 85 ? -13.737 -28.615 11.604 1.00 29.98 ? 99 LEU A N 1 ATOM 666 C CA . LEU A 1 85 ? -12.970 -29.428 10.661 1.00 32.06 ? 99 LEU A CA 1 ATOM 667 C C . LEU A 1 85 ? -13.708 -29.976 9.444 1.00 30.89 ? 99 LEU A C 1 ATOM 668 O O . LEU A 1 85 ? -13.074 -30.503 8.522 1.00 27.07 ? 99 LEU A O 1 ATOM 669 C CB . LEU A 1 85 ? -12.285 -30.568 11.405 1.00 37.25 ? 99 LEU A CB 1 ATOM 670 C CG . LEU A 1 85 ? -11.368 -30.062 12.521 1.00 43.31 ? 99 LEU A CG 1 ATOM 671 C CD1 . LEU A 1 85 ? -10.532 -31.215 13.044 1.00 47.92 ? 99 LEU A CD1 1 ATOM 672 C CD2 . LEU A 1 85 ? -10.468 -28.948 11.992 1.00 50.40 ? 99 LEU A CD2 1 ATOM 673 N N . ASP A 1 86 ? -15.033 -29.867 9.431 1.00 23.49 ? 100 ASP A N 1 ATOM 674 C CA . ASP A 1 86 ? -15.803 -30.344 8.284 1.00 25.70 ? 100 ASP A CA 1 ATOM 675 C C . ASP A 1 86 ? -15.723 -29.328 7.145 1.00 28.51 ? 100 ASP A C 1 ATOM 676 O O . ASP A 1 86 ? -16.027 -29.642 5.995 1.00 24.15 ? 100 ASP A O 1 ATOM 677 C CB . ASP A 1 86 ? -17.266 -30.601 8.673 1.00 29.17 ? 100 ASP A CB 1 ATOM 678 C CG . ASP A 1 86 ? -17.895 -29.427 9.402 1.00 27.27 ? 100 ASP A CG 1 ATOM 679 O OD1 . ASP A 1 86 ? -17.401 -29.078 10.495 1.00 26.49 ? 100 ASP A OD1 1 ATOM 680 O OD2 . ASP A 1 86 ? -18.881 -28.862 8.882 1.00 27.63 ? 100 ASP A OD2 1 ATOM 681 N N . LYS A 1 87 ? -15.338 -28.100 7.474 1.00 22.86 ? 101 LYS A N 1 ATOM 682 C CA . LYS A 1 87 ? -15.165 -27.056 6.462 1.00 25.57 ? 101 LYS A CA 1 ATOM 683 C C . LYS A 1 87 ? -13.784 -26.498 6.746 1.00 26.10 ? 101 LYS A C 1 ATOM 684 O O . LYS A 1 87 ? -13.625 -25.360 7.209 1.00 24.44 ? 101 LYS A O 1 ATOM 685 C CB . LYS A 1 87 ? -16.235 -25.968 6.595 1.00 23.02 ? 101 LYS A CB 1 ATOM 686 C CG . LYS A 1 87 ? -17.651 -26.491 6.342 1.00 22.82 ? 101 LYS A CG 1 ATOM 687 C CD . LYS A 1 87 ? -18.685 -25.376 6.301 1.00 26.64 ? 101 LYS A CD 1 ATOM 688 C CE . LYS A 1 87 ? -20.091 -25.963 6.155 1.00 29.15 ? 101 LYS A CE 1 ATOM 689 N NZ . LYS A 1 87 ? -21.143 -24.900 6.137 1.00 31.88 ? 101 LYS A NZ 1 ATOM 690 N N . ASP A 1 88 ? -12.784 -27.327 6.461 1.00 24.64 ? 102 ASP A N 1 ATOM 691 C CA . ASP A 1 88 ? -11.393 -26.991 6.725 1.00 25.04 ? 102 ASP A CA 1 ATOM 692 C C . ASP A 1 88 ? -10.809 -26.005 5.725 1.00 28.37 ? 102 ASP A C 1 ATOM 693 O O . ASP A 1 88 ? -10.103 -26.395 4.792 1.00 23.98 ? 102 ASP A O 1 ATOM 694 C CB . ASP A 1 88 ? -10.562 -28.272 6.739 1.00 27.85 ? 102 ASP A CB 1 ATOM 695 C CG . ASP A 1 88 ? -9.362 -28.175 7.648 1.00 23.58 ? 102 ASP A CG 1 ATOM 696 O OD1 . ASP A 1 88 ? -9.031 -27.057 8.081 1.00 24.16 ? 102 ASP A OD1 1 ATOM 697 O OD2 . ASP A 1 88 ? -8.747 -29.221 7.923 1.00 27.93 ? 102 ASP A OD2 1 ATOM 698 N N . ILE A 1 89 ? -11.089 -24.726 5.946 1.00 21.16 ? 103 ILE A N 1 ATOM 699 C CA . ILE A 1 89 ? -10.622 -23.673 5.063 1.00 22.38 ? 103 ILE A CA 1 ATOM 700 C C . ILE A 1 89 ? -10.528 -22.345 5.814 1.00 24.94 ? 103 ILE A C 1 ATOM 701 O O . ILE A 1 89 ? -11.347 -22.045 6.687 1.00 23.29 ? 103 ILE A O 1 ATOM 702 C CB . ILE A 1 89 ? -11.585 -23.530 3.854 1.00 22.93 ? 103 ILE A CB 1 ATOM 703 C CG1 . ILE A 1 89 ? -11.120 -22.418 2.922 1.00 25.60 ? 103 ILE A CG1 1 ATOM 704 C CG2 . ILE A 1 89 ? -12.997 -23.228 4.346 1.00 28.65 ? 103 ILE A CG2 1 ATOM 705 C CD1 . ILE A 1 89 ? -11.957 -22.322 1.647 1.00 36.22 ? 103 ILE A CD1 1 ATOM 706 N N . MET A 1 90 ? -9.522 -21.551 5.481 1.00 20.90 ? 104 MET A N 1 ATOM 707 C CA . MET A 1 90 ? -9.344 -20.257 6.124 1.00 21.80 ? 104 MET A CA 1 ATOM 708 C C . MET A 1 90 ? -8.683 -19.285 5.167 1.00 23.42 ? 104 MET A C 1 ATOM 709 O O . MET A 1 90 ? -7.880 -19.682 4.323 1.00 24.61 ? 104 MET A O 1 ATOM 710 C CB . MET A 1 90 ? -8.481 -20.405 7.391 1.00 25.27 ? 104 MET A CB 1 ATOM 711 C CG . MET A 1 90 ? -7.923 -19.085 7.951 1.00 37.86 ? 104 MET A CG 1 ATOM 712 S SD . MET A 1 90 ? -6.751 -19.307 9.350 1.00 36.13 ? 104 MET A SD 1 ATOM 713 C CE . MET A 1 90 ? -6.063 -20.768 8.897 1.00 24.67 ? 104 MET A CE 1 ATOM 714 N N . LEU A 1 91 ? -9.050 -18.013 5.283 1.00 21.44 ? 105 LEU A N 1 ATOM 715 C CA . LEU A 1 91 ? -8.453 -16.971 4.467 1.00 21.48 ? 105 LEU A CA 1 ATOM 716 C C . LEU A 1 91 ? -7.600 -16.129 5.395 1.00 25.00 ? 105 LEU A C 1 ATOM 717 O O . LEU A 1 91 ? -8.012 -15.805 6.513 1.00 26.82 ? 105 LEU A O 1 ATOM 718 C CB . LEU A 1 91 ? -9.526 -16.087 3.817 1.00 20.46 ? 105 LEU A CB 1 ATOM 719 C CG . LEU A 1 91 ? -10.039 -16.582 2.465 1.00 22.38 ? 105 LEU A CG 1 ATOM 720 C CD1 . LEU A 1 91 ? -11.267 -15.788 2.050 1.00 26.50 ? 105 LEU A CD1 1 ATOM 721 C CD2 . LEU A 1 91 ? -8.929 -16.448 1.430 1.00 26.93 ? 105 LEU A CD2 1 ATOM 722 N N . ILE A 1 92 ? -6.403 -15.796 4.938 1.00 22.61 ? 106 ILE A N 1 ATOM 723 C CA . ILE A 1 92 ? -5.493 -14.970 5.717 1.00 22.90 ? 106 ILE A CA 1 ATOM 724 C C . ILE A 1 92 ? -5.201 -13.720 4.909 1.00 25.45 ? 106 ILE A C 1 ATOM 725 O O . ILE A 1 92 ? -4.792 -13.813 3.753 1.00 23.59 ? 106 ILE A O 1 ATOM 726 C CB . ILE A 1 92 ? -4.153 -15.706 5.980 1.00 26.66 ? 106 ILE A CB 1 ATOM 727 C CG1 . ILE A 1 92 ? -4.398 -16.944 6.847 1.00 24.13 ? 106 ILE A CG1 1 ATOM 728 C CG2 . ILE A 1 92 ? -3.148 -14.756 6.637 1.00 25.17 ? 106 ILE A CG2 1 ATOM 729 C CD1 . ILE A 1 92 ? -3.144 -17.798 7.078 1.00 26.46 ? 106 ILE A CD1 1 ATOM 730 N N . ARG A 1 93 ? -5.445 -12.546 5.480 1.00 25.28 ? 107 ARG A N 1 ATOM 731 C CA . ARG A 1 93 ? -5.113 -11.330 4.750 1.00 26.51 ? 107 ARG A CA 1 ATOM 732 C C . ARG A 1 93 ? -3.745 -10.889 5.258 1.00 25.02 ? 107 ARG A C 1 ATOM 733 O O . ARG A 1 93 ? -3.536 -10.754 6.464 1.00 28.53 ? 107 ARG A O 1 ATOM 734 C CB . ARG A 1 93 ? -6.135 -10.217 4.983 1.00 25.54 ? 107 ARG A CB 1 ATOM 735 C CG . ARG A 1 93 ? -5.816 -8.970 4.172 1.00 27.76 ? 107 ARG A CG 1 ATOM 736 C CD . ARG A 1 93 ? -6.838 -7.847 4.374 1.00 31.93 ? 107 ARG A CD 1 ATOM 737 N NE . ARG A 1 93 ? -6.513 -6.707 3.517 1.00 41.56 ? 107 ARG A NE 1 ATOM 738 C CZ . ARG A 1 93 ? -7.185 -5.559 3.496 1.00 47.15 ? 107 ARG A CZ 1 ATOM 739 N NH1 . ARG A 1 93 ? -8.234 -5.382 4.290 1.00 43.81 ? 107 ARG A NH1 1 ATOM 740 N NH2 . ARG A 1 93 ? -6.805 -4.586 2.678 1.00 40.29 ? 107 ARG A NH2 1 ATOM 741 N N . LEU A 1 94 ? -2.812 -10.686 4.333 1.00 24.90 ? 108 LEU A N 1 ATOM 742 C CA . LEU A 1 94 ? -1.458 -10.265 4.676 1.00 24.93 ? 108 LEU A CA 1 ATOM 743 C C . LEU A 1 94 ? -1.464 -8.832 5.197 1.00 26.84 ? 108 LEU A C 1 ATOM 744 O O . LEU A 1 94 ? -2.213 -7.990 4.698 1.00 31.40 ? 108 LEU A O 1 ATOM 745 C CB . LEU A 1 94 ? -0.554 -10.368 3.441 1.00 25.02 ? 108 LEU A CB 1 ATOM 746 C CG . LEU A 1 94 ? -0.565 -11.730 2.730 1.00 30.44 ? 108 LEU A CG 1 ATOM 747 C CD1 . LEU A 1 94 ? 0.447 -11.728 1.582 1.00 27.84 ? 108 LEU A CD1 1 ATOM 748 C CD2 . LEU A 1 94 ? -0.227 -12.829 3.729 1.00 27.93 ? 108 LEU A CD2 1 ATOM 749 N N . ARG A 1 95 ? -0.631 -8.560 6.199 1.00 30.89 ? 109 ARG A N 1 ATOM 750 C CA . ARG A 1 95 ? -0.548 -7.223 6.790 1.00 33.60 ? 109 ARG A CA 1 ATOM 751 C C . ARG A 1 95 ? -0.093 -6.203 5.749 1.00 38.84 ? 109 ARG A C 1 ATOM 752 O O . ARG A 1 95 ? -0.524 -5.050 5.753 1.00 35.86 ? 109 ARG A O 1 ATOM 753 C CB . ARG A 1 95 ? 0.427 -7.230 7.968 1.00 38.72 ? 109 ARG A CB 1 ATOM 754 C CG . ARG A 1 95 ? 0.452 -5.933 8.767 1.00 49.97 ? 109 ARG A CG 1 ATOM 755 C CD . ARG A 1 95 ? 1.371 -6.056 9.965 1.00 54.61 ? 109 ARG A CD 1 ATOM 756 N NE . ARG A 1 95 ? 2.745 -6.337 9.560 1.00 71.70 ? 109 ARG A NE 1 ATOM 757 C CZ . ARG A 1 95 ? 3.529 -5.473 8.923 1.00 75.96 ? 109 ARG A CZ 1 ATOM 758 N NH1 . ARG A 1 95 ? 3.078 -4.263 8.618 1.00 79.20 ? 109 ARG A NH1 1 ATOM 759 N NH2 . ARG A 1 95 ? 4.764 -5.821 8.585 1.00 80.10 ? 109 ARG A NH2 1 ATOM 760 N N . ARG A 1 96 ? 0.791 -6.645 4.864 1.00 36.84 ? 110 ARG A N 1 ATOM 761 C CA . ARG A 1 96 ? 1.316 -5.813 3.793 1.00 38.44 ? 110 ARG A CA 1 ATOM 762 C C . ARG A 1 96 ? 1.311 -6.691 2.551 1.00 37.23 ? 110 ARG A C 1 ATOM 763 O O . ARG A 1 96 ? 1.638 -7.872 2.621 1.00 33.24 ? 110 ARG A O 1 ATOM 764 C CB . ARG A 1 96 ? 2.744 -5.361 4.127 1.00 41.00 ? 110 ARG A CB 1 ATOM 765 C CG . ARG A 1 96 ? 2.801 -4.180 5.088 1.00 48.39 ? 110 ARG A CG 1 ATOM 766 C CD . ARG A 1 96 ? 4.122 -4.099 5.842 1.00 53.92 ? 110 ARG A CD 1 ATOM 767 N NE . ARG A 1 96 ? 5.283 -4.327 4.987 1.00 59.18 ? 110 ARG A NE 1 ATOM 768 C CZ . ARG A 1 96 ? 5.854 -5.513 4.802 1.00 62.33 ? 110 ARG A CZ 1 ATOM 769 N NH1 . ARG A 1 96 ? 5.373 -6.589 5.416 1.00 60.53 ? 110 ARG A NH1 1 ATOM 770 N NH2 . ARG A 1 96 ? 6.908 -5.624 4.002 1.00 60.11 ? 110 ARG A NH2 1 ATOM 771 N N . PRO A 1 97 ? 0.931 -6.131 1.397 1.00 38.61 ? 111 PRO A N 1 ATOM 772 C CA . PRO A 1 97 ? 0.910 -6.951 0.182 1.00 35.79 ? 111 PRO A CA 1 ATOM 773 C C . PRO A 1 97 ? 2.290 -7.315 -0.346 1.00 35.72 ? 111 PRO A C 1 ATOM 774 O O . PRO A 1 97 ? 3.310 -6.781 0.100 1.00 34.65 ? 111 PRO A O 1 ATOM 775 C CB . PRO A 1 97 ? 0.131 -6.083 -0.800 1.00 36.72 ? 111 PRO A CB 1 ATOM 776 C CG . PRO A 1 97 ? 0.528 -4.697 -0.390 1.00 41.87 ? 111 PRO A CG 1 ATOM 777 C CD . PRO A 1 97 ? 0.468 -4.759 1.122 1.00 34.94 ? 111 PRO A CD 1 ATOM 778 N N . VAL A 1 98 ? 2.315 -8.251 -1.286 1.00 31.35 ? 112 VAL A N 1 ATOM 779 C CA . VAL A 1 98 ? 3.563 -8.652 -1.911 1.00 30.11 ? 112 VAL A CA 1 ATOM 780 C C . VAL A 1 98 ? 3.432 -8.256 -3.371 1.00 29.72 ? 112 VAL A C 1 ATOM 781 O O . VAL A 1 98 ? 2.325 -7.994 -3.850 1.00 30.60 ? 112 VAL A O 1 ATOM 782 C CB . VAL A 1 98 ? 3.806 -10.185 -1.822 1.00 30.64 ? 112 VAL A CB 1 ATOM 783 C CG1 . VAL A 1 98 ? 4.071 -10.592 -0.376 1.00 31.20 ? 112 VAL A CG1 1 ATOM 784 C CG2 . VAL A 1 98 ? 2.616 -10.944 -2.385 1.00 23.68 ? 112 VAL A CG2 1 ATOM 785 N N . THR A 1 99 ? 4.556 -8.174 -4.071 1.00 31.56 ? 113 THR A N 1 ATOM 786 C CA . THR A 1 99 ? 4.527 -7.845 -5.489 1.00 32.70 ? 113 THR A CA 1 ATOM 787 C C . THR A 1 99 ? 4.865 -9.127 -6.225 1.00 31.19 ? 113 THR A C 1 ATOM 788 O O . THR A 1 99 ? 5.639 -9.945 -5.731 1.00 32.35 ? 113 THR A O 1 ATOM 789 C CB . THR A 1 99 ? 5.547 -6.744 -5.846 1.00 38.77 ? 113 THR A CB 1 ATOM 790 O OG1 . THR A 1 99 ? 6.858 -7.139 -5.424 1.00 44.65 ? 113 THR A OG1 1 ATOM 791 C CG2 . THR A 1 99 ? 5.170 -5.443 -5.164 1.00 35.57 ? 113 THR A CG2 1 ATOM 792 N N . TYR A 1 100 ? 4.279 -9.324 -7.397 1.00 30.22 ? 114 TYR A N 1 ATOM 793 C CA . TYR A 1 100 ? 4.543 -10.549 -8.129 1.00 29.21 ? 114 TYR A CA 1 ATOM 794 C C . TYR A 1 100 ? 5.947 -10.555 -8.697 1.00 28.95 ? 114 TYR A C 1 ATOM 795 O O . TYR A 1 100 ? 6.488 -9.515 -9.060 1.00 31.39 ? 114 TYR A O 1 ATOM 796 C CB . TYR A 1 100 ? 3.500 -10.747 -9.232 1.00 29.05 ? 114 TYR A CB 1 ATOM 797 C CG . TYR A 1 100 ? 2.079 -10.851 -8.695 1.00 32.01 ? 114 TYR A CG 1 ATOM 798 C CD1 . TYR A 1 100 ? 1.833 -11.317 -7.396 1.00 28.26 ? 114 TYR A CD1 1 ATOM 799 C CD2 . TYR A 1 100 ? 0.982 -10.509 -9.490 1.00 30.39 ? 114 TYR A CD2 1 ATOM 800 C CE1 . TYR A 1 100 ? 0.538 -11.439 -6.905 1.00 26.24 ? 114 TYR A CE1 1 ATOM 801 C CE2 . TYR A 1 100 ? -0.321 -10.629 -9.008 1.00 32.27 ? 114 TYR A CE2 1 ATOM 802 C CZ . TYR A 1 100 ? -0.534 -11.095 -7.714 1.00 31.35 ? 114 TYR A CZ 1 ATOM 803 O OH . TYR A 1 100 ? -1.818 -11.223 -7.240 1.00 26.24 ? 114 TYR A OH 1 ATOM 804 N N . SER A 1 101 ? 6.536 -11.741 -8.747 1.00 24.58 ? 115 SER A N 1 ATOM 805 C CA . SER A 1 101 ? 7.884 -11.927 -9.263 1.00 27.69 ? 115 SER A CA 1 ATOM 806 C C . SER A 1 101 ? 8.017 -13.386 -9.671 1.00 29.00 ? 115 SER A C 1 ATOM 807 O O . SER A 1 101 ? 7.040 -14.130 -9.622 1.00 28.94 ? 115 SER A O 1 ATOM 808 C CB . SER A 1 101 ? 8.918 -11.580 -8.186 1.00 29.51 ? 115 SER A CB 1 ATOM 809 O OG . SER A 1 101 ? 8.731 -12.365 -7.019 1.00 31.55 ? 115 SER A OG 1 ATOM 810 N N . THR A 1 102 ? 9.219 -13.796 -10.066 1.00 25.09 ? 116 THR A N 1 ATOM 811 C CA . THR A 1 102 ? 9.446 -15.178 -10.494 1.00 27.16 ? 116 THR A CA 1 ATOM 812 C C . THR A 1 102 ? 8.935 -16.227 -9.504 1.00 26.26 ? 116 THR A C 1 ATOM 813 O O . THR A 1 102 ? 8.285 -17.197 -9.887 1.00 26.46 ? 116 THR A O 1 ATOM 814 C CB . THR A 1 102 ? 10.945 -15.450 -10.714 1.00 31.37 ? 116 THR A CB 1 ATOM 815 O OG1 . THR A 1 102 ? 11.432 -14.601 -11.759 1.00 27.54 ? 116 THR A OG1 1 ATOM 816 C CG2 . THR A 1 102 ? 11.179 -16.911 -11.093 1.00 24.98 ? 116 THR A CG2 1 ATOM 817 N N . HIS A 1 103 ? 9.222 -16.028 -8.228 1.00 23.82 ? 117 HIS A N 1 ATOM 818 C CA . HIS A 1 103 ? 8.817 -17.005 -7.226 1.00 24.17 ? 117 HIS A CA 1 ATOM 819 C C . HIS A 1 103 ? 7.578 -16.635 -6.411 1.00 23.07 ? 117 HIS A C 1 ATOM 820 O O . HIS A 1 103 ? 7.250 -17.317 -5.432 1.00 23.33 ? 117 HIS A O 1 ATOM 821 C CB . HIS A 1 103 ? 9.998 -17.278 -6.299 1.00 18.23 ? 117 HIS A CB 1 ATOM 822 C CG . HIS A 1 103 ? 11.264 -17.619 -7.027 1.00 21.31 ? 117 HIS A CG 1 ATOM 823 N ND1 . HIS A 1 103 ? 12.421 -16.881 -6.892 1.00 23.31 ? 117 HIS A ND1 1 ATOM 824 C CD2 . HIS A 1 103 ? 11.548 -18.604 -7.911 1.00 27.50 ? 117 HIS A CD2 1 ATOM 825 C CE1 . HIS A 1 103 ? 13.363 -17.395 -7.664 1.00 29.86 ? 117 HIS A CE1 1 ATOM 826 N NE2 . HIS A 1 103 ? 12.859 -18.441 -8.295 1.00 28.16 ? 117 HIS A NE2 1 ATOM 827 N N . ILE A 1 104 ? 6.905 -15.554 -6.803 1.00 22.79 ? 118 ILE A N 1 ATOM 828 C CA . ILE A 1 104 ? 5.684 -15.111 -6.124 1.00 24.29 ? 118 ILE A CA 1 ATOM 829 C C . ILE A 1 104 ? 4.630 -14.742 -7.174 1.00 25.69 ? 118 ILE A C 1 ATOM 830 O O . ILE A 1 104 ? 4.795 -13.777 -7.921 1.00 26.85 ? 118 ILE A O 1 ATOM 831 C CB . ILE A 1 104 ? 5.945 -13.886 -5.208 1.00 24.24 ? 118 ILE A CB 1 ATOM 832 C CG1 . ILE A 1 104 ? 6.911 -14.276 -4.081 1.00 24.26 ? 118 ILE A CG1 1 ATOM 833 C CG2 . ILE A 1 104 ? 4.619 -13.385 -4.607 1.00 23.45 ? 118 ILE A CG2 1 ATOM 834 C CD1 . ILE A 1 104 ? 7.194 -13.157 -3.089 1.00 22.22 ? 118 ILE A CD1 1 ATOM 835 N N . ALA A 1 105 ? 3.555 -15.524 -7.231 1.00 22.81 ? 119 ALA A N 1 ATOM 836 C CA . ALA A 1 105 ? 2.477 -15.302 -8.193 1.00 28.40 ? 119 ALA A CA 1 ATOM 837 C C . ALA A 1 105 ? 1.193 -15.908 -7.647 1.00 25.90 ? 119 ALA A C 1 ATOM 838 O O . ALA A 1 105 ? 1.229 -16.842 -6.851 1.00 28.08 ? 119 ALA A O 1 ATOM 839 C CB . ALA A 1 105 ? 2.828 -15.942 -9.542 1.00 29.80 ? 119 ALA A CB 1 ATOM 840 N N . PRO A 1 106 ? 0.034 -15.393 -8.079 1.00 26.79 ? 120 PRO A N 1 ATOM 841 C CA . PRO A 1 106 ? -1.225 -15.940 -7.575 1.00 22.98 ? 120 PRO A CA 1 ATOM 842 C C . PRO A 1 106 ? -1.679 -17.176 -8.328 1.00 26.98 ? 120 PRO A C 1 ATOM 843 O O . PRO A 1 106 ? -1.336 -17.365 -9.495 1.00 24.09 ? 120 PRO A O 1 ATOM 844 C CB . PRO A 1 106 ? -2.188 -14.771 -7.759 1.00 29.52 ? 120 PRO A CB 1 ATOM 845 C CG . PRO A 1 106 ? -1.741 -14.203 -9.074 1.00 22.97 ? 120 PRO A CG 1 ATOM 846 C CD . PRO A 1 106 ? -0.209 -14.245 -8.981 1.00 25.30 ? 120 PRO A CD 1 ATOM 847 N N . VAL A 1 107 ? -2.432 -18.037 -7.656 1.00 22.24 ? 121 VAL A N 1 ATOM 848 C CA . VAL A 1 107 ? -2.960 -19.218 -8.321 1.00 25.31 ? 121 VAL A CA 1 ATOM 849 C C . VAL A 1 107 ? -4.443 -18.919 -8.530 1.00 33.74 ? 121 VAL A C 1 ATOM 850 O O . VAL A 1 107 ? -5.093 -18.351 -7.650 1.00 31.33 ? 121 VAL A O 1 ATOM 851 C CB . VAL A 1 107 ? -2.772 -20.500 -7.466 1.00 30.94 ? 121 VAL A CB 1 ATOM 852 C CG1 . VAL A 1 107 ? -3.463 -20.351 -6.118 1.00 29.86 ? 121 VAL A CG1 1 ATOM 853 C CG2 . VAL A 1 107 ? -3.308 -21.711 -8.230 1.00 32.12 ? 121 VAL A CG2 1 ATOM 854 N N . SER A 1 108 ? -4.980 -19.271 -9.693 1.00 27.50 ? 122 SER A N 1 ATOM 855 C CA . SER A 1 108 ? -6.388 -18.987 -9.951 1.00 33.63 ? 122 SER A CA 1 ATOM 856 C C . SER A 1 108 ? -7.339 -19.987 -9.302 1.00 30.86 ? 122 SER A C 1 ATOM 857 O O . SER A 1 108 ? -7.025 -21.172 -9.158 1.00 28.60 ? 122 SER A O 1 ATOM 858 C CB . SER A 1 108 ? -6.650 -18.924 -11.462 1.00 40.83 ? 122 SER A CB 1 ATOM 859 O OG . SER A 1 108 ? -6.253 -20.122 -12.099 1.00 54.00 ? 122 SER A OG 1 ATOM 860 N N . LEU A 1 109 ? -8.498 -19.489 -8.887 1.00 28.60 ? 123 LEU A N 1 ATOM 861 C CA . LEU A 1 109 ? -9.515 -20.330 -8.283 1.00 28.90 ? 123 LEU A CA 1 ATOM 862 C C . LEU A 1 109 ? -10.105 -21.175 -9.412 1.00 33.29 ? 123 LEU A C 1 ATOM 863 O O . LEU A 1 109 ? -9.935 -20.851 -10.588 1.00 32.06 ? 123 LEU A O 1 ATOM 864 C CB . LEU A 1 109 ? -10.603 -19.462 -7.645 1.00 33.50 ? 123 LEU A CB 1 ATOM 865 C CG . LEU A 1 109 ? -10.144 -18.578 -6.479 1.00 38.07 ? 123 LEU A CG 1 ATOM 866 C CD1 . LEU A 1 109 ? -11.313 -17.754 -5.959 1.00 36.50 ? 123 LEU A CD1 1 ATOM 867 C CD2 . LEU A 1 109 ? -9.579 -19.454 -5.369 1.00 36.35 ? 123 LEU A CD2 1 ATOM 868 N N . PRO A 1 110 ? -10.793 -22.273 -9.074 1.00 29.80 ? 124 PRO A N 1 ATOM 869 C CA . PRO A 1 110 ? -11.375 -23.114 -10.122 1.00 34.92 ? 124 PRO A CA 1 ATOM 870 C C . PRO A 1 110 ? -12.505 -22.408 -10.875 1.00 36.73 ? 124 PRO A C 1 ATOM 871 O O . PRO A 1 110 ? -13.349 -21.737 -10.277 1.00 32.53 ? 124 PRO A O 1 ATOM 872 C CB . PRO A 1 110 ? -11.838 -24.348 -9.351 1.00 35.76 ? 124 PRO A CB 1 ATOM 873 C CG . PRO A 1 110 ? -12.168 -23.795 -7.998 1.00 38.59 ? 124 PRO A CG 1 ATOM 874 C CD . PRO A 1 110 ? -11.041 -22.838 -7.735 1.00 30.42 ? 124 PRO A CD 1 ATOM 875 N N . SER A 1 111 ? -12.501 -22.544 -12.197 1.00 34.99 ? 125 SER A N 1 ATOM 876 C CA . SER A 1 111 ? -13.518 -21.913 -13.031 1.00 37.57 ? 125 SER A CA 1 ATOM 877 C C . SER A 1 111 ? -14.708 -22.843 -13.234 1.00 36.00 ? 125 SER A C 1 ATOM 878 O O . SER A 1 111 ? -15.754 -22.434 -13.730 1.00 39.93 ? 125 SER A O 1 ATOM 879 C CB . SER A 1 111 ? -12.915 -21.532 -14.385 1.00 41.33 ? 125 SER A CB 1 ATOM 880 O OG . SER A 1 111 ? -12.319 -22.658 -14.999 1.00 38.26 ? 125 SER A OG 1 ATOM 881 N N . ARG A 1 112 ? -14.535 -24.097 -12.842 1.00 34.39 ? 127 ARG A N 1 ATOM 882 C CA . ARG A 1 112 ? -15.578 -25.103 -12.964 1.00 37.37 ? 127 ARG A CA 1 ATOM 883 C C . ARG A 1 112 ? -15.217 -26.248 -12.043 1.00 36.88 ? 127 ARG A C 1 ATOM 884 O O . ARG A 1 112 ? -14.073 -26.366 -11.611 1.00 38.75 ? 127 ARG A O 1 ATOM 885 C CB . ARG A 1 112 ? -15.665 -25.625 -14.401 1.00 41.83 ? 127 ARG A CB 1 ATOM 886 C CG . ARG A 1 112 ? -14.313 -25.995 -14.995 1.00 50.75 ? 127 ARG A CG 1 ATOM 887 C CD . ARG A 1 112 ? -14.432 -27.043 -16.091 1.00 54.30 ? 127 ARG A CD 1 ATOM 888 N NE . ARG A 1 112 ? -14.889 -28.324 -15.559 1.00 61.03 ? 127 ARG A NE 1 ATOM 889 C CZ . ARG A 1 112 ? -14.956 -29.450 -16.263 1.00 62.86 ? 127 ARG A CZ 1 ATOM 890 N NH1 . ARG A 1 112 ? -14.593 -29.459 -17.539 1.00 64.16 ? 127 ARG A NH1 1 ATOM 891 N NH2 . ARG A 1 112 ? -15.382 -30.569 -15.689 1.00 61.07 ? 127 ARG A NH2 1 ATOM 892 N N . SER A 1 113 ? -16.194 -27.091 -11.737 1.00 32.73 ? 128 SER A N 1 ATOM 893 C CA . SER A 1 113 ? -15.945 -28.236 -10.879 1.00 36.92 ? 128 SER A CA 1 ATOM 894 C C . SER A 1 113 ? -15.259 -29.336 -11.687 1.00 37.58 ? 128 SER A C 1 ATOM 895 O O . SER A 1 113 ? -15.562 -29.527 -12.862 1.00 36.77 ? 128 SER A O 1 ATOM 896 C CB . SER A 1 113 ? -17.270 -28.761 -10.313 1.00 38.26 ? 128 SER A CB 1 ATOM 897 O OG . SER A 1 113 ? -17.077 -29.939 -9.547 1.00 40.02 ? 128 SER A OG 1 ATOM 898 N N . ARG A 1 114 ? -14.317 -30.035 -11.060 1.00 34.71 ? 129 ARG A N 1 ATOM 899 C CA . ARG A 1 114 ? -13.624 -31.150 -11.700 1.00 34.77 ? 129 ARG A CA 1 ATOM 900 C C . ARG A 1 114 ? -13.705 -32.317 -10.737 1.00 32.84 ? 129 ARG A C 1 ATOM 901 O O . ARG A 1 114 ? -13.586 -32.135 -9.523 1.00 36.55 ? 129 ARG A O 1 ATOM 902 C CB . ARG A 1 114 ? -12.170 -30.793 -12.015 1.00 33.79 ? 129 ARG A CB 1 ATOM 903 C CG . ARG A 1 114 ? -12.045 -29.992 -13.302 1.00 39.83 ? 129 ARG A CG 1 ATOM 904 C CD . ARG A 1 114 ? -10.613 -29.656 -13.654 1.00 41.88 ? 129 ARG A CD 1 ATOM 905 N NE . ARG A 1 114 ? -10.553 -28.868 -14.882 1.00 45.76 ? 129 ARG A NE 1 ATOM 906 C CZ . ARG A 1 114 ? -10.785 -29.353 -16.098 1.00 48.59 ? 129 ARG A CZ 1 ATOM 907 N NH1 . ARG A 1 114 ? -11.088 -30.634 -16.259 1.00 45.46 ? 129 ARG A NH1 1 ATOM 908 N NH2 . ARG A 1 114 ? -10.726 -28.553 -17.153 1.00 48.77 ? 129 ARG A NH2 1 ATOM 909 N N . GLY A 1 115 ? -13.920 -33.516 -11.265 1.00 32.61 ? 131 GLY A N 1 ATOM 910 C CA . GLY A 1 115 ? -14.065 -34.659 -10.383 1.00 34.31 ? 131 GLY A CA 1 ATOM 911 C C . GLY A 1 115 ? -13.232 -35.894 -10.638 1.00 37.20 ? 131 GLY A C 1 ATOM 912 O O . GLY A 1 115 ? -12.093 -35.817 -11.102 1.00 34.99 ? 131 GLY A O 1 ATOM 913 N N . VAL A 1 116 ? -13.822 -37.040 -10.312 1.00 32.34 ? 132 VAL A N 1 ATOM 914 C CA . VAL A 1 116 ? -13.174 -38.331 -10.457 1.00 34.01 ? 132 VAL A CA 1 ATOM 915 C C . VAL A 1 116 ? -12.457 -38.485 -11.788 1.00 34.76 ? 132 VAL A C 1 ATOM 916 O O . VAL A 1 116 ? -13.024 -38.210 -12.844 1.00 34.85 ? 132 VAL A O 1 ATOM 917 C CB . VAL A 1 116 ? -14.199 -39.472 -10.307 1.00 38.97 ? 132 VAL A CB 1 ATOM 918 C CG1 . VAL A 1 116 ? -13.508 -40.817 -10.477 1.00 38.54 ? 132 VAL A CG1 1 ATOM 919 C CG2 . VAL A 1 116 ? -14.872 -39.383 -8.942 1.00 37.93 ? 132 VAL A CG2 1 ATOM 920 N N . GLY A 1 117 ? -11.202 -38.922 -11.727 1.00 34.43 ? 133 GLY A N 1 ATOM 921 C CA . GLY A 1 117 ? -10.422 -39.109 -12.937 1.00 35.29 ? 133 GLY A CA 1 ATOM 922 C C . GLY A 1 117 ? -9.478 -37.962 -13.260 1.00 35.68 ? 133 GLY A C 1 ATOM 923 O O . GLY A 1 117 ? -8.518 -38.136 -14.016 1.00 35.02 ? 133 GLY A O 1 ATOM 924 N N . SER A 1 118 ? -9.740 -36.787 -12.697 1.00 33.98 ? 134 SER A N 1 ATOM 925 C CA . SER A 1 118 ? -8.892 -35.619 -12.946 1.00 32.00 ? 134 SER A CA 1 ATOM 926 C C . SER A 1 118 ? -7.484 -35.862 -12.414 1.00 29.80 ? 134 SER A C 1 ATOM 927 O O . SER A 1 118 ? -7.316 -36.408 -11.320 1.00 26.95 ? 134 SER A O 1 ATOM 928 C CB . SER A 1 118 ? -9.465 -34.380 -12.252 1.00 33.70 ? 134 SER A CB 1 ATOM 929 O OG . SER A 1 118 ? -10.788 -34.104 -12.665 1.00 33.60 ? 134 SER A OG 1 ATOM 930 N N . ARG A 1 119 ? -6.471 -35.469 -13.182 1.00 27.39 ? 135 ARG A N 1 ATOM 931 C CA . ARG A 1 119 ? -5.096 -35.634 -12.720 1.00 24.79 ? 135 ARG A CA 1 ATOM 932 C C . ARG A 1 119 ? -4.714 -34.306 -12.100 1.00 25.02 ? 135 ARG A C 1 ATOM 933 O O . ARG A 1 119 ? -4.908 -33.248 -12.702 1.00 28.08 ? 135 ARG A O 1 ATOM 934 C CB . ARG A 1 119 ? -4.131 -35.960 -13.867 1.00 35.03 ? 135 ARG A CB 1 ATOM 935 C CG . ARG A 1 119 ? -2.821 -36.561 -13.356 1.00 43.20 ? 135 ARG A CG 1 ATOM 936 C CD . ARG A 1 119 ? -1.800 -36.832 -14.454 1.00 51.86 ? 135 ARG A CD 1 ATOM 937 N NE . ARG A 1 119 ? -1.077 -35.623 -14.839 1.00 61.33 ? 135 ARG A NE 1 ATOM 938 C CZ . ARG A 1 119 ? 0.038 -35.622 -15.565 1.00 65.00 ? 135 ARG A CZ 1 ATOM 939 N NH1 . ARG A 1 119 ? 0.559 -36.767 -15.984 1.00 66.72 ? 135 ARG A NH1 1 ATOM 940 N NH2 . ARG A 1 119 ? 0.635 -34.477 -15.868 1.00 68.44 ? 135 ARG A NH2 1 ATOM 941 N N . CYS A 1 120 ? -4.169 -34.363 -10.894 1.00 24.98 ? 136 CYS A N 1 ATOM 942 C CA . CYS A 1 120 ? -3.799 -33.152 -10.182 1.00 24.62 ? 136 CYS A CA 1 ATOM 943 C C . CYS A 1 120 ? -2.391 -33.271 -9.616 1.00 24.65 ? 136 CYS A C 1 ATOM 944 O O . CYS A 1 120 ? -1.807 -34.353 -9.605 1.00 29.35 ? 136 CYS A O 1 ATOM 945 C CB . CYS A 1 120 ? -4.787 -32.923 -9.046 1.00 26.58 ? 136 CYS A CB 1 ATOM 946 S SG . CYS A 1 120 ? -6.542 -32.914 -9.555 1.00 31.59 ? 136 CYS A SG 1 ATOM 947 N N . ARG A 1 121 ? -1.861 -32.155 -9.131 1.00 24.64 ? 137 ARG A N 1 ATOM 948 C CA . ARG A 1 121 ? -0.515 -32.134 -8.572 1.00 25.38 ? 137 ARG A CA 1 ATOM 949 C C . ARG A 1 121 ? -0.537 -31.621 -7.136 1.00 24.60 ? 137 ARG A C 1 ATOM 950 O O . ARG A 1 121 ? -1.244 -30.662 -6.820 1.00 25.25 ? 137 ARG A O 1 ATOM 951 C CB . ARG A 1 121 ? 0.367 -31.228 -9.429 1.00 27.86 ? 137 ARG A CB 1 ATOM 952 C CG . ARG A 1 121 ? 1.871 -31.435 -9.273 1.00 29.62 ? 137 ARG A CG 1 ATOM 953 C CD . ARG A 1 121 ? 2.571 -30.735 -10.423 1.00 25.81 ? 137 ARG A CD 1 ATOM 954 N NE . ARG A 1 121 ? 4.030 -30.766 -10.362 1.00 28.76 ? 137 ARG A NE 1 ATOM 955 C CZ . ARG A 1 121 ? 4.778 -31.860 -10.476 1.00 30.04 ? 137 ARG A CZ 1 ATOM 956 N NH1 . ARG A 1 121 ? 4.214 -33.050 -10.646 1.00 29.48 ? 137 ARG A NH1 1 ATOM 957 N NH2 . ARG A 1 121 ? 6.104 -31.754 -10.470 1.00 24.08 ? 137 ARG A NH2 1 ATOM 958 N N . ILE A 1 122 ? 0.218 -32.277 -6.266 1.00 21.21 ? 138 ILE A N 1 ATOM 959 C CA . ILE A 1 122 ? 0.303 -31.858 -4.873 1.00 21.41 ? 138 ILE A CA 1 ATOM 960 C C . ILE A 1 122 ? 1.740 -31.424 -4.621 1.00 25.70 ? 138 ILE A C 1 ATOM 961 O O . ILE A 1 122 ? 2.653 -31.823 -5.354 1.00 23.10 ? 138 ILE A O 1 ATOM 962 C CB . ILE A 1 122 ? -0.097 -32.987 -3.902 1.00 21.16 ? 138 ILE A CB 1 ATOM 963 C CG1 . ILE A 1 122 ? 0.665 -34.275 -4.226 1.00 24.05 ? 138 ILE A CG1 1 ATOM 964 C CG2 . ILE A 1 122 ? -1.607 -33.223 -3.986 1.00 23.70 ? 138 ILE A CG2 1 ATOM 965 C CD1 . ILE A 1 122 ? 0.358 -35.421 -3.267 1.00 25.64 ? 138 ILE A CD1 1 ATOM 966 N N . MET A 1 123 ? 1.936 -30.610 -3.589 1.00 19.66 ? 139 MET A N 1 ATOM 967 C CA . MET A 1 123 ? 3.256 -30.081 -3.292 1.00 22.28 ? 139 MET A CA 1 ATOM 968 C C . MET A 1 123 ? 3.311 -29.591 -1.858 1.00 27.44 ? 139 MET A C 1 ATOM 969 O O . MET A 1 123 ? 2.294 -29.192 -1.294 1.00 24.84 ? 139 MET A O 1 ATOM 970 C CB . MET A 1 123 ? 3.526 -28.906 -4.234 1.00 22.50 ? 139 MET A CB 1 ATOM 971 C CG . MET A 1 123 ? 2.448 -27.827 -4.135 1.00 25.05 ? 139 MET A CG 1 ATOM 972 S SD . MET A 1 123 ? 2.530 -26.599 -5.450 1.00 29.40 ? 139 MET A SD 1 ATOM 973 C CE . MET A 1 123 ? 1.846 -27.499 -6.787 1.00 29.60 ? 139 MET A CE 1 ATOM 974 N N . GLY A 1 124 ? 4.505 -29.600 -1.276 1.00 22.31 ? 140 GLY A N 1 ATOM 975 C CA . GLY A 1 124 ? 4.646 -29.125 0.083 1.00 22.51 ? 140 GLY A CA 1 ATOM 976 C C . GLY A 1 124 ? 5.996 -29.485 0.663 1.00 23.06 ? 140 GLY A C 1 ATOM 977 O O . GLY A 1 124 ? 6.797 -30.166 0.016 1.00 23.25 ? 140 GLY A O 1 ATOM 978 N N . TRP A 1 125 ? 6.240 -29.019 1.882 1.00 20.73 ? 141 TRP A N 1 ATOM 979 C CA . TRP A 1 125 ? 7.491 -29.279 2.596 1.00 24.08 ? 141 TRP A CA 1 ATOM 980 C C . TRP A 1 125 ? 7.249 -30.339 3.672 1.00 27.66 ? 141 TRP A C 1 ATOM 981 O O . TRP A 1 125 ? 7.998 -30.409 4.649 1.00 24.06 ? 141 TRP A O 1 ATOM 982 C CB . TRP A 1 125 ? 7.985 -27.998 3.280 1.00 21.81 ? 141 TRP A CB 1 ATOM 983 C CG . TRP A 1 125 ? 8.521 -26.934 2.361 1.00 26.35 ? 141 TRP A CG 1 ATOM 984 C CD1 . TRP A 1 125 ? 9.816 -26.777 1.953 1.00 25.43 ? 141 TRP A CD1 1 ATOM 985 C CD2 . TRP A 1 125 ? 7.781 -25.856 1.773 1.00 24.82 ? 141 TRP A CD2 1 ATOM 986 N NE1 . TRP A 1 125 ? 9.928 -25.663 1.151 1.00 22.72 ? 141 TRP A NE1 1 ATOM 987 C CE2 . TRP A 1 125 ? 8.694 -25.081 1.025 1.00 26.39 ? 141 TRP A CE2 1 ATOM 988 C CE3 . TRP A 1 125 ? 6.433 -25.468 1.809 1.00 27.55 ? 141 TRP A CE3 1 ATOM 989 C CZ2 . TRP A 1 125 ? 8.302 -23.938 0.316 1.00 27.13 ? 141 TRP A CZ2 1 ATOM 990 C CZ3 . TRP A 1 125 ? 6.045 -24.329 1.105 1.00 29.91 ? 141 TRP A CZ3 1 ATOM 991 C CH2 . TRP A 1 125 ? 6.978 -23.578 0.369 1.00 25.13 ? 141 TRP A CH2 1 ATOM 992 N N . GLY A 1 126 ? 6.197 -31.142 3.501 1.00 25.70 ? 142 GLY A N 1 ATOM 993 C CA . GLY A 1 126 ? 5.877 -32.179 4.475 1.00 23.53 ? 142 GLY A CA 1 ATOM 994 C C . GLY A 1 126 ? 6.769 -33.398 4.325 1.00 28.93 ? 142 GLY A C 1 ATOM 995 O O . GLY A 1 126 ? 7.643 -33.415 3.463 1.00 26.09 ? 142 GLY A O 1 ATOM 996 N N . LYS A 1 127 ? 6.553 -34.419 5.154 1.00 26.18 ? 143 LYS A N 1 ATOM 997 C CA . LYS A 1 127 ? 7.362 -35.642 5.107 1.00 26.65 ? 143 LYS A CA 1 ATOM 998 C C . LYS A 1 127 ? 7.470 -36.276 3.725 1.00 29.49 ? 143 LYS A C 1 ATOM 999 O O . LYS A 1 127 ? 6.485 -36.350 2.986 1.00 30.46 ? 143 LYS A O 1 ATOM 1000 C CB . LYS A 1 127 ? 6.796 -36.701 6.059 1.00 34.00 ? 143 LYS A CB 1 ATOM 1001 C CG . LYS A 1 127 ? 7.018 -36.454 7.536 1.00 44.26 ? 143 LYS A CG 1 ATOM 1002 C CD . LYS A 1 127 ? 6.467 -37.630 8.346 1.00 49.02 ? 143 LYS A CD 1 ATOM 1003 C CE . LYS A 1 127 ? 6.787 -37.507 9.827 1.00 54.21 ? 143 LYS A CE 1 ATOM 1004 N NZ . LYS A 1 127 ? 6.214 -38.648 10.601 1.00 49.15 ? 143 LYS A NZ 1 ATOM 1005 N N . ILE A 1 128 ? 8.666 -36.750 3.383 1.00 26.01 ? 144 ILE A N 1 ATOM 1006 C CA . ILE A 1 128 ? 8.875 -37.414 2.099 1.00 26.88 ? 144 ILE A CA 1 ATOM 1007 C C . ILE A 1 128 ? 9.149 -38.895 2.338 1.00 27.47 ? 144 ILE A C 1 ATOM 1008 O O . ILE A 1 128 ? 9.243 -39.688 1.403 1.00 31.86 ? 144 ILE A O 1 ATOM 1009 C CB . ILE A 1 128 ? 10.056 -36.797 1.316 1.00 29.03 ? 144 ILE A CB 1 ATOM 1010 C CG1 . ILE A 1 128 ? 11.340 -36.877 2.141 1.00 33.74 ? 144 ILE A CG1 1 ATOM 1011 C CG2 . ILE A 1 128 ? 9.734 -35.351 0.958 1.00 24.71 ? 144 ILE A CG2 1 ATOM 1012 C CD1 . ILE A 1 128 ? 12.587 -36.416 1.375 1.00 34.14 ? 144 ILE A CD1 1 ATOM 1013 N N . SER A 1 129 ? 9.273 -39.256 3.608 1.00 32.19 ? 145 SER A N 1 ATOM 1014 C CA . SER A 1 129 ? 9.517 -40.634 4.004 1.00 46.58 ? 145 SER A CA 1 ATOM 1015 C C . SER A 1 129 ? 9.367 -40.686 5.517 1.00 50.88 ? 145 SER A C 1 ATOM 1016 O O . SER A 1 129 ? 9.181 -39.651 6.159 1.00 53.76 ? 145 SER A O 1 ATOM 1017 C CB . SER A 1 129 ? 10.928 -41.077 3.601 1.00 44.21 ? 145 SER A CB 1 ATOM 1018 O OG . SER A 1 129 ? 11.906 -40.441 4.404 1.00 54.78 ? 145 SER A OG 1 ATOM 1019 N N . THR A 1 130 ? 9.431 -41.886 6.083 1.00 55.60 ? 146 THR A N 1 ATOM 1020 C CA . THR A 1 130 ? 9.298 -42.041 7.526 1.00 57.26 ? 146 THR A CA 1 ATOM 1021 C C . THR A 1 130 ? 10.184 -41.033 8.250 1.00 54.78 ? 146 THR A C 1 ATOM 1022 O O . THR A 1 130 ? 11.396 -40.997 8.045 1.00 58.82 ? 146 THR A O 1 ATOM 1023 C CB . THR A 1 130 ? 9.685 -43.465 7.969 1.00 56.69 ? 146 THR A CB 1 ATOM 1024 O OG1 . THR A 1 130 ? 11.014 -43.763 7.523 1.00 63.75 ? 146 THR A OG1 1 ATOM 1025 C CG2 . THR A 1 130 ? 8.720 -44.480 7.383 1.00 55.80 ? 146 THR A CG2 1 ATOM 1026 N N . THR A 1 131 ? 9.556 -40.210 9.085 1.00 54.88 ? 147 THR A N 1 ATOM 1027 C CA . THR A 1 131 ? 10.234 -39.179 9.870 1.00 58.64 ? 147 THR A CA 1 ATOM 1028 C C . THR A 1 131 ? 11.305 -38.359 9.133 1.00 54.43 ? 147 THR A C 1 ATOM 1029 O O . THR A 1 131 ? 12.331 -38.007 9.715 1.00 54.51 ? 147 THR A O 1 ATOM 1030 C CB . THR A 1 131 ? 10.865 -39.782 11.156 1.00 61.31 ? 147 THR A CB 1 ATOM 1031 O OG1 . THR A 1 131 ? 11.346 -38.721 11.993 1.00 63.53 ? 147 THR A OG1 1 ATOM 1032 C CG2 . THR A 1 131 ? 12.025 -40.716 10.810 1.00 59.37 ? 147 THR A CG2 1 ATOM 1033 N N . THR A 1 132 ? 11.059 -38.042 7.864 1.00 49.82 ? 148 THR A N 1 ATOM 1034 C CA . THR A 1 132 ? 12.009 -37.253 7.078 1.00 45.40 ? 148 THR A CA 1 ATOM 1035 C C . THR A 1 132 ? 11.366 -36.029 6.414 1.00 37.26 ? 148 THR A C 1 ATOM 1036 O O . THR A 1 132 ? 10.508 -36.172 5.549 1.00 35.75 ? 148 THR A O 1 ATOM 1037 C CB . THR A 1 132 ? 12.652 -38.099 5.962 1.00 49.00 ? 148 THR A CB 1 ATOM 1038 O OG1 . THR A 1 132 ? 13.294 -39.245 6.533 1.00 58.18 ? 148 THR A OG1 1 ATOM 1039 C CG2 . THR A 1 132 ? 13.680 -37.271 5.195 1.00 49.84 ? 148 THR A CG2 1 ATOM 1040 N N . TYR A 1 133 ? 11.789 -34.833 6.815 1.00 33.94 ? 149 TYR A N 1 ATOM 1041 C CA . TYR A 1 133 ? 11.261 -33.596 6.232 1.00 35.01 ? 149 TYR A CA 1 ATOM 1042 C C . TYR A 1 133 ? 12.314 -32.983 5.311 1.00 35.24 ? 149 TYR A C 1 ATOM 1043 O O . TYR A 1 133 ? 13.471 -32.839 5.693 1.00 36.36 ? 149 TYR A O 1 ATOM 1044 C CB . TYR A 1 133 ? 10.889 -32.595 7.323 1.00 36.55 ? 149 TYR A CB 1 ATOM 1045 C CG . TYR A 1 133 ? 9.743 -33.051 8.194 1.00 40.34 ? 149 TYR A CG 1 ATOM 1046 C CD1 . TYR A 1 133 ? 9.942 -33.984 9.210 1.00 43.14 ? 149 TYR A CD1 1 ATOM 1047 C CD2 . TYR A 1 133 ? 8.449 -32.572 7.980 1.00 42.09 ? 149 TYR A CD2 1 ATOM 1048 C CE1 . TYR A 1 133 ? 8.877 -34.431 9.997 1.00 48.35 ? 149 TYR A CE1 1 ATOM 1049 C CE2 . TYR A 1 133 ? 7.378 -33.012 8.756 1.00 44.35 ? 149 TYR A CE2 1 ATOM 1050 C CZ . TYR A 1 133 ? 7.600 -33.941 9.764 1.00 49.96 ? 149 TYR A CZ 1 ATOM 1051 O OH . TYR A 1 133 ? 6.547 -34.378 10.539 1.00 49.80 ? 149 TYR A OH 1 ATOM 1052 N N . PRO A 1 134 ? 11.920 -32.604 4.087 1.00 33.68 ? 152 PRO A N 1 ATOM 1053 C CA . PRO A 1 134 ? 12.865 -32.014 3.132 1.00 31.87 ? 152 PRO A CA 1 ATOM 1054 C C . PRO A 1 134 ? 13.121 -30.531 3.366 1.00 32.82 ? 152 PRO A C 1 ATOM 1055 O O . PRO A 1 134 ? 12.335 -29.856 4.027 1.00 32.25 ? 152 PRO A O 1 ATOM 1056 C CB . PRO A 1 134 ? 12.180 -32.267 1.797 1.00 30.03 ? 152 PRO A CB 1 ATOM 1057 C CG . PRO A 1 134 ? 10.736 -31.991 2.150 1.00 30.14 ? 152 PRO A CG 1 ATOM 1058 C CD . PRO A 1 134 ? 10.569 -32.697 3.499 1.00 31.12 ? 152 PRO A CD 1 ATOM 1059 N N . ASP A 1 135 ? 14.226 -30.028 2.818 1.00 29.64 ? 153 ASP A N 1 ATOM 1060 C CA . ASP A 1 135 ? 14.554 -28.613 2.941 1.00 32.10 ? 153 ASP A CA 1 ATOM 1061 C C . ASP A 1 135 ? 13.965 -27.868 1.752 1.00 28.16 ? 153 ASP A C 1 ATOM 1062 O O . ASP A 1 135 ? 13.937 -26.645 1.728 1.00 31.36 ? 153 ASP A O 1 ATOM 1063 C CB . ASP A 1 135 ? 16.070 -28.401 2.975 1.00 40.60 ? 153 ASP A CB 1 ATOM 1064 C CG . ASP A 1 135 ? 16.673 -28.753 4.316 1.00 48.32 ? 153 ASP A CG 1 ATOM 1065 O OD1 . ASP A 1 135 ? 16.128 -28.295 5.344 1.00 54.19 ? 153 ASP A OD1 1 ATOM 1066 O OD2 . ASP A 1 135 ? 17.691 -29.477 4.345 1.00 59.43 ? 153 ASP A OD2 1 ATOM 1067 N N . VAL A 1 136 ? 13.498 -28.633 0.770 1.00 25.67 ? 154 VAL A N 1 ATOM 1068 C CA . VAL A 1 136 ? 12.889 -28.084 -0.432 1.00 24.95 ? 154 VAL A CA 1 ATOM 1069 C C . VAL A 1 136 ? 11.517 -28.736 -0.599 1.00 22.06 ? 154 VAL A C 1 ATOM 1070 O O . VAL A 1 136 ? 11.297 -29.866 -0.166 1.00 23.62 ? 154 VAL A O 1 ATOM 1071 C CB . VAL A 1 136 ? 13.741 -28.404 -1.683 1.00 25.27 ? 154 VAL A CB 1 ATOM 1072 C CG1 . VAL A 1 136 ? 15.067 -27.663 -1.618 1.00 25.75 ? 154 VAL A CG1 1 ATOM 1073 C CG2 . VAL A 1 136 ? 13.983 -29.904 -1.775 1.00 23.43 ? 154 VAL A CG2 1 ATOM 1074 N N . PRO A 1 137 ? 10.577 -28.041 -1.246 1.00 22.77 ? 155 PRO A N 1 ATOM 1075 C CA . PRO A 1 137 ? 9.254 -28.653 -1.410 1.00 21.99 ? 155 PRO A CA 1 ATOM 1076 C C . PRO A 1 137 ? 9.279 -29.799 -2.414 1.00 25.61 ? 155 PRO A C 1 ATOM 1077 O O . PRO A 1 137 ? 10.028 -29.746 -3.394 1.00 23.68 ? 155 PRO A O 1 ATOM 1078 C CB . PRO A 1 137 ? 8.405 -27.495 -1.913 1.00 22.51 ? 155 PRO A CB 1 ATOM 1079 C CG . PRO A 1 137 ? 9.388 -26.734 -2.783 1.00 27.16 ? 155 PRO A CG 1 ATOM 1080 C CD . PRO A 1 137 ? 10.659 -26.738 -1.936 1.00 20.16 ? 155 PRO A CD 1 ATOM 1081 N N . HIS A 1 138 ? 8.485 -30.838 -2.159 1.00 19.65 ? 156 HIS A N 1 ATOM 1082 C CA . HIS A 1 138 ? 8.379 -31.957 -3.088 1.00 20.45 ? 156 HIS A CA 1 ATOM 1083 C C . HIS A 1 138 ? 7.026 -31.929 -3.785 1.00 26.33 ? 156 HIS A C 1 ATOM 1084 O O . HIS A 1 138 ? 6.034 -31.419 -3.242 1.00 23.59 ? 156 HIS A O 1 ATOM 1085 C CB . HIS A 1 138 ? 8.586 -33.308 -2.396 1.00 23.02 ? 156 HIS A CB 1 ATOM 1086 C CG . HIS A 1 138 ? 10.028 -33.652 -2.179 1.00 22.04 ? 156 HIS A CG 1 ATOM 1087 N ND1 . HIS A 1 138 ? 10.520 -34.932 -2.323 1.00 24.88 ? 156 HIS A ND1 1 ATOM 1088 C CD2 . HIS A 1 138 ? 11.078 -32.886 -1.805 1.00 19.71 ? 156 HIS A CD2 1 ATOM 1089 C CE1 . HIS A 1 138 ? 11.813 -34.939 -2.047 1.00 22.45 ? 156 HIS A CE1 1 ATOM 1090 N NE2 . HIS A 1 138 ? 12.176 -33.710 -1.729 1.00 21.52 ? 156 HIS A NE2 1 ATOM 1091 N N . CYS A 1 139 ? 7.008 -32.497 -4.985 1.00 19.98 ? 157 CYS A N 1 ATOM 1092 C CA . CYS A 1 139 ? 5.840 -32.520 -5.857 1.00 21.50 ? 157 CYS A CA 1 ATOM 1093 C C . CYS A 1 139 ? 5.589 -33.894 -6.466 1.00 23.92 ? 157 CYS A C 1 ATOM 1094 O O . CYS A 1 139 ? 6.519 -34.669 -6.677 1.00 26.29 ? 157 CYS A O 1 ATOM 1095 C CB . CYS A 1 139 ? 6.066 -31.536 -7.021 1.00 26.94 ? 157 CYS A CB 1 ATOM 1096 S SG . CYS A 1 139 ? 5.853 -29.764 -6.669 1.00 33.35 ? 157 CYS A SG 1 ATOM 1097 N N . THR A 1 140 ? 4.323 -34.195 -6.737 1.00 23.51 ? 158 THR A N 1 ATOM 1098 C CA . THR A 1 140 ? 3.958 -35.433 -7.413 1.00 26.61 ? 158 THR A CA 1 ATOM 1099 C C . THR A 1 140 ? 2.533 -35.321 -7.938 1.00 26.79 ? 158 THR A C 1 ATOM 1100 O O . THR A 1 140 ? 1.786 -34.427 -7.536 1.00 25.65 ? 158 THR A O 1 ATOM 1101 C CB . THR A 1 140 ? 4.101 -36.684 -6.517 1.00 29.25 ? 158 THR A CB 1 ATOM 1102 O OG1 . THR A 1 140 ? 4.134 -37.846 -7.360 1.00 27.89 ? 158 THR A OG1 1 ATOM 1103 C CG2 . THR A 1 140 ? 2.926 -36.817 -5.550 1.00 25.39 ? 158 THR A CG2 1 ATOM 1104 N N . ASN A 1 141 ? 2.159 -36.205 -8.856 1.00 25.46 ? 159 ASN A N 1 ATOM 1105 C CA . ASN A 1 141 ? 0.816 -36.165 -9.415 1.00 25.37 ? 159 ASN A CA 1 ATOM 1106 C C . ASN A 1 141 ? -0.066 -37.246 -8.818 1.00 27.08 ? 159 ASN A C 1 ATOM 1107 O O . ASN A 1 141 ? 0.394 -38.354 -8.555 1.00 23.52 ? 159 ASN A O 1 ATOM 1108 C CB . ASN A 1 141 ? 0.857 -36.340 -10.938 1.00 29.47 ? 159 ASN A CB 1 ATOM 1109 C CG . ASN A 1 141 ? 1.582 -35.209 -11.633 1.00 34.61 ? 159 ASN A CG 1 ATOM 1110 O OD1 . ASN A 1 141 ? 1.458 -34.050 -11.243 1.00 35.81 ? 159 ASN A OD1 1 ATOM 1111 N ND2 . ASN A 1 141 ? 2.333 -35.538 -12.677 1.00 35.38 ? 159 ASN A ND2 1 ATOM 1112 N N . ILE A 1 142 ? -1.333 -36.912 -8.594 1.00 25.41 ? 160 ILE A N 1 ATOM 1113 C CA . ILE A 1 142 ? -2.291 -37.873 -8.059 1.00 24.82 ? 160 ILE A CA 1 ATOM 1114 C C . ILE A 1 142 ? -3.600 -37.704 -8.819 1.00 24.95 ? 160 ILE A C 1 ATOM 1115 O O . ILE A 1 142 ? -3.716 -36.841 -9.689 1.00 25.90 ? 160 ILE A O 1 ATOM 1116 C CB . ILE A 1 142 ? -2.541 -37.684 -6.534 1.00 24.79 ? 160 ILE A CB 1 ATOM 1117 C CG1 . ILE A 1 142 ? -3.121 -36.294 -6.252 1.00 23.16 ? 160 ILE A CG1 1 ATOM 1118 C CG2 . ILE A 1 142 ? -1.239 -37.896 -5.756 1.00 21.52 ? 160 ILE A CG2 1 ATOM 1119 C CD1 . ILE A 1 142 ? -3.468 -36.078 -4.770 1.00 23.28 ? 160 ILE A CD1 1 ATOM 1120 N N . PHE A 1 143 ? -4.584 -38.530 -8.489 1.00 24.84 ? 161 PHE A N 1 ATOM 1121 C CA . PHE A 1 143 ? -5.882 -38.471 -9.150 1.00 26.67 ? 161 PHE A CA 1 ATOM 1122 C C . PHE A 1 143 ? -7.017 -38.265 -8.163 1.00 26.37 ? 161 PHE A C 1 ATOM 1123 O O . PHE A 1 143 ? -6.954 -38.720 -7.026 1.00 27.00 ? 161 PHE A O 1 ATOM 1124 C CB . PHE A 1 143 ? -6.151 -39.776 -9.898 1.00 27.42 ? 161 PHE A CB 1 ATOM 1125 C CG . PHE A 1 143 ? -5.276 -39.977 -11.095 1.00 34.00 ? 161 PHE A CG 1 ATOM 1126 C CD1 . PHE A 1 143 ? -5.569 -39.343 -12.296 1.00 38.86 ? 161 PHE A CD1 1 ATOM 1127 C CD2 . PHE A 1 143 ? -4.137 -40.770 -11.012 1.00 41.85 ? 161 PHE A CD2 1 ATOM 1128 C CE1 . PHE A 1 143 ? -4.736 -39.493 -13.405 1.00 43.44 ? 161 PHE A CE1 1 ATOM 1129 C CE2 . PHE A 1 143 ? -3.296 -40.928 -12.110 1.00 41.41 ? 161 PHE A CE2 1 ATOM 1130 C CZ . PHE A 1 143 ? -3.595 -40.288 -13.310 1.00 45.57 ? 161 PHE A CZ 1 ATOM 1131 N N . ILE A 1 144 ? -8.051 -37.566 -8.605 1.00 26.73 ? 162 ILE A N 1 ATOM 1132 C CA . ILE A 1 144 ? -9.225 -37.395 -7.771 1.00 26.85 ? 162 ILE A CA 1 ATOM 1133 C C . ILE A 1 144 ? -9.906 -38.742 -7.974 1.00 29.53 ? 162 ILE A C 1 ATOM 1134 O O . ILE A 1 144 ? -10.080 -39.191 -9.113 1.00 29.88 ? 162 ILE A O 1 ATOM 1135 C CB . ILE A 1 144 ? -10.132 -36.262 -8.288 1.00 28.25 ? 162 ILE A CB 1 ATOM 1136 C CG1 . ILE A 1 144 ? -9.445 -34.912 -8.063 1.00 24.16 ? 162 ILE A CG1 1 ATOM 1137 C CG2 . ILE A 1 144 ? -11.493 -36.305 -7.577 1.00 27.01 ? 162 ILE A CG2 1 ATOM 1138 C CD1 . ILE A 1 144 ? -10.256 -33.728 -8.547 1.00 27.45 ? 162 ILE A CD1 1 ATOM 1139 N N . VAL A 1 145 ? -10.244 -39.412 -6.879 1.00 28.03 ? 163 VAL A N 1 ATOM 1140 C CA . VAL A 1 145 ? -10.895 -40.713 -6.965 1.00 27.29 ? 163 VAL A CA 1 ATOM 1141 C C . VAL A 1 145 ? -12.304 -40.633 -6.384 1.00 26.30 ? 163 VAL A C 1 ATOM 1142 O O . VAL A 1 145 ? -12.694 -39.604 -5.840 1.00 27.33 ? 163 VAL A O 1 ATOM 1143 C CB . VAL A 1 145 ? -10.086 -41.784 -6.210 1.00 28.92 ? 163 VAL A CB 1 ATOM 1144 C CG1 . VAL A 1 145 ? -8.697 -41.917 -6.839 1.00 31.88 ? 163 VAL A CG1 1 ATOM 1145 C CG2 . VAL A 1 145 ? -9.967 -41.414 -4.731 1.00 25.46 ? 163 VAL A CG2 1 ATOM 1146 N N . LYS A 1 146 ? -13.074 -41.709 -6.511 1.00 28.98 ? 164 LYS A N 1 ATOM 1147 C CA . LYS A 1 146 ? -14.430 -41.704 -5.981 1.00 29.75 ? 164 LYS A CA 1 ATOM 1148 C C . LYS A 1 146 ? -14.408 -41.320 -4.511 1.00 26.90 ? 164 LYS A C 1 ATOM 1149 O O . LYS A 1 146 ? -13.645 -41.873 -3.722 1.00 26.26 ? 164 LYS A O 1 ATOM 1150 C CB . LYS A 1 146 ? -15.088 -43.073 -6.158 1.00 35.23 ? 164 LYS A CB 1 ATOM 1151 C CG . LYS A 1 146 ? -15.395 -43.408 -7.606 1.00 35.48 ? 164 LYS A CG 1 ATOM 1152 C CD . LYS A 1 146 ? -16.262 -44.653 -7.702 1.00 48.21 ? 164 LYS A CD 1 ATOM 1153 C CE . LYS A 1 146 ? -16.651 -44.941 -9.141 1.00 49.98 ? 164 LYS A CE 1 ATOM 1154 N NZ . LYS A 1 146 ? -17.486 -46.171 -9.249 1.00 55.50 ? 164 LYS A NZ 1 ATOM 1155 N N . HIS A 1 147 ? -15.259 -40.366 -4.159 1.00 26.40 ? 165 HIS A N 1 ATOM 1156 C CA . HIS A 1 147 ? -15.352 -39.860 -2.796 1.00 28.25 ? 165 HIS A CA 1 ATOM 1157 C C . HIS A 1 147 ? -15.626 -40.973 -1.781 1.00 28.54 ? 165 HIS A C 1 ATOM 1158 O O . HIS A 1 147 ? -15.294 -40.836 -0.605 1.00 28.83 ? 165 HIS A O 1 ATOM 1159 C CB . HIS A 1 147 ? -16.447 -38.778 -2.741 1.00 29.08 ? 165 HIS A CB 1 ATOM 1160 C CG . HIS A 1 147 ? -16.372 -37.892 -1.535 1.00 32.94 ? 165 HIS A CG 1 ATOM 1161 N ND1 . HIS A 1 147 ? -16.944 -38.227 -0.326 1.00 32.55 ? 165 HIS A ND1 1 ATOM 1162 C CD2 . HIS A 1 147 ? -15.779 -36.688 -1.349 1.00 32.90 ? 165 HIS A CD2 1 ATOM 1163 C CE1 . HIS A 1 147 ? -16.708 -37.268 0.553 1.00 32.63 ? 165 HIS A CE1 1 ATOM 1164 N NE2 . HIS A 1 147 ? -16.003 -36.322 -0.043 1.00 31.35 ? 165 HIS A NE2 1 ATOM 1165 N N . LYS A 1 148 ? -16.221 -42.074 -2.234 1.00 29.12 ? 166 LYS A N 1 ATOM 1166 C CA . LYS A 1 148 ? -16.529 -43.196 -1.347 1.00 30.30 ? 166 LYS A CA 1 ATOM 1167 C C . LYS A 1 148 ? -15.291 -43.781 -0.663 1.00 33.15 ? 166 LYS A C 1 ATOM 1168 O O . LYS A 1 148 ? -15.398 -44.374 0.413 1.00 34.25 ? 166 LYS A O 1 ATOM 1169 C CB . LYS A 1 148 ? -17.234 -44.316 -2.117 1.00 36.59 ? 166 LYS A CB 1 ATOM 1170 C CG . LYS A 1 148 ? -16.313 -45.067 -3.065 1.00 37.29 ? 166 LYS A CG 1 ATOM 1171 C CD . LYS A 1 148 ? -17.013 -46.228 -3.732 1.00 51.53 ? 166 LYS A CD 1 ATOM 1172 C CE . LYS A 1 148 ? -16.042 -47.037 -4.576 1.00 54.97 ? 166 LYS A CE 1 ATOM 1173 N NZ . LYS A 1 148 ? -14.963 -47.645 -3.745 1.00 56.92 ? 166 LYS A NZ 1 ATOM 1174 N N . TRP A 1 149 ? -14.122 -43.635 -1.284 1.00 32.10 ? 167 TRP A N 1 ATOM 1175 C CA . TRP A 1 149 ? -12.891 -44.163 -0.694 1.00 31.41 ? 167 TRP A CA 1 ATOM 1176 C C . TRP A 1 149 ? -12.538 -43.463 0.616 1.00 30.44 ? 167 TRP A C 1 ATOM 1177 O O . TRP A 1 149 ? -11.982 -44.075 1.528 1.00 33.46 ? 167 TRP A O 1 ATOM 1178 C CB . TRP A 1 149 ? -11.710 -44.018 -1.668 1.00 32.15 ? 167 TRP A CB 1 ATOM 1179 C CG . TRP A 1 149 ? -11.783 -44.938 -2.843 1.00 34.44 ? 167 TRP A CG 1 ATOM 1180 C CD1 . TRP A 1 149 ? -12.101 -44.608 -4.131 1.00 34.59 ? 167 TRP A CD1 1 ATOM 1181 C CD2 . TRP A 1 149 ? -11.553 -46.352 -2.835 1.00 36.36 ? 167 TRP A CD2 1 ATOM 1182 N NE1 . TRP A 1 149 ? -12.083 -45.731 -4.925 1.00 33.80 ? 167 TRP A NE1 1 ATOM 1183 C CE2 . TRP A 1 149 ? -11.750 -46.815 -4.155 1.00 35.79 ? 167 TRP A CE2 1 ATOM 1184 C CE3 . TRP A 1 149 ? -11.199 -47.272 -1.840 1.00 35.38 ? 167 TRP A CE3 1 ATOM 1185 C CZ2 . TRP A 1 149 ? -11.605 -48.161 -4.506 1.00 43.58 ? 167 TRP A CZ2 1 ATOM 1186 C CZ3 . TRP A 1 149 ? -11.055 -48.612 -2.190 1.00 40.03 ? 167 TRP A CZ3 1 ATOM 1187 C CH2 . TRP A 1 149 ? -11.259 -49.042 -3.512 1.00 41.75 ? 167 TRP A CH2 1 ATOM 1188 N N . CYS A 1 150 ? -12.869 -42.181 0.705 1.00 29.69 ? 168 CYS A N 1 ATOM 1189 C CA . CYS A 1 150 ? -12.566 -41.385 1.892 1.00 32.42 ? 168 CYS A CA 1 ATOM 1190 C C . CYS A 1 150 ? -13.585 -41.471 3.041 1.00 35.59 ? 168 CYS A C 1 ATOM 1191 O O . CYS A 1 150 ? -13.209 -41.529 4.217 1.00 36.14 ? 168 CYS A O 1 ATOM 1192 C CB . CYS A 1 150 ? -12.406 -39.919 1.482 1.00 32.53 ? 168 CYS A CB 1 ATOM 1193 S SG . CYS A 1 150 ? -10.833 -39.484 0.656 1.00 33.54 ? 168 CYS A SG 1 ATOM 1194 N N . GLU A 1 151 ? -14.868 -41.475 2.699 1.00 35.25 ? 169 GLU A N 1 ATOM 1195 C CA . GLU A 1 151 ? -15.937 -41.502 3.697 1.00 40.73 ? 169 GLU A CA 1 ATOM 1196 C C . GLU A 1 151 ? -15.768 -42.481 4.858 1.00 41.45 ? 169 GLU A C 1 ATOM 1197 O O . GLU A 1 151 ? -15.981 -42.114 6.013 1.00 41.83 ? 169 GLU A O 1 ATOM 1198 C CB . GLU A 1 151 ? -17.281 -41.717 2.995 1.00 38.14 ? 169 GLU A CB 1 ATOM 1199 C CG . GLU A 1 151 ? -17.577 -40.608 1.990 1.00 37.21 ? 169 GLU A CG 1 ATOM 1200 C CD . GLU A 1 151 ? -18.623 -40.987 0.961 1.00 38.02 ? 169 GLU A CD 1 ATOM 1201 O OE1 . GLU A 1 151 ? -18.727 -40.266 -0.059 1.00 27.19 ? 169 GLU A OE1 1 ATOM 1202 O OE2 . GLU A 1 151 ? -19.333 -41.997 1.169 1.00 31.02 ? 169 GLU A OE2 1 ATOM 1203 N N . PRO A 1 152 ? -15.385 -43.734 4.576 1.00 43.29 ? 170 PRO A N 1 ATOM 1204 C CA . PRO A 1 152 ? -15.207 -44.713 5.656 1.00 47.93 ? 170 PRO A CA 1 ATOM 1205 C C . PRO A 1 152 ? -13.986 -44.421 6.532 1.00 50.67 ? 170 PRO A C 1 ATOM 1206 O O . PRO A 1 152 ? -14.054 -44.494 7.764 1.00 44.91 ? 170 PRO A O 1 ATOM 1207 C CB . PRO A 1 152 ? -15.053 -46.033 4.905 1.00 46.84 ? 170 PRO A CB 1 ATOM 1208 C CG . PRO A 1 152 ? -15.772 -45.786 3.609 1.00 46.91 ? 170 PRO A CG 1 ATOM 1209 C CD . PRO A 1 152 ? -15.334 -44.396 3.264 1.00 47.00 ? 170 PRO A CD 1 ATOM 1210 N N . LEU A 1 153 ? -12.871 -44.097 5.880 1.00 49.86 ? 171 LEU A N 1 ATOM 1211 C CA . LEU A 1 153 ? -11.612 -43.805 6.564 1.00 52.30 ? 171 LEU A CA 1 ATOM 1212 C C . LEU A 1 153 ? -11.703 -42.598 7.478 1.00 49.69 ? 171 LEU A C 1 ATOM 1213 O O . LEU A 1 153 ? -11.136 -42.585 8.568 1.00 57.54 ? 171 LEU A O 1 ATOM 1214 C CB . LEU A 1 153 ? -10.498 -43.565 5.541 1.00 50.90 ? 171 LEU A CB 1 ATOM 1215 C CG . LEU A 1 153 ? -10.188 -44.713 4.585 1.00 51.68 ? 171 LEU A CG 1 ATOM 1216 C CD1 . LEU A 1 153 ? -9.067 -44.296 3.641 1.00 51.49 ? 171 LEU A CD1 1 ATOM 1217 C CD2 . LEU A 1 153 ? -9.791 -45.946 5.380 1.00 55.04 ? 171 LEU A CD2 1 ATOM 1218 N N . TYR A 1 154 ? -12.411 -41.575 7.023 1.00 48.62 ? 172 TYR A N 1 ATOM 1219 C CA . TYR A 1 154 ? -12.565 -40.358 7.795 1.00 47.46 ? 172 TYR A CA 1 ATOM 1220 C C . TYR A 1 154 ? -14.059 -40.117 7.983 1.00 52.87 ? 172 TYR A C 1 ATOM 1221 O O . TYR A 1 154 ? -14.615 -39.152 7.455 1.00 46.78 ? 172 TYR A O 1 ATOM 1222 C CB . TYR A 1 154 ? -11.907 -39.192 7.047 1.00 42.18 ? 172 TYR A CB 1 ATOM 1223 C CG . TYR A 1 154 ? -10.613 -39.590 6.359 1.00 43.91 ? 172 TYR A CG 1 ATOM 1224 C CD1 . TYR A 1 154 ? -10.582 -39.858 4.990 1.00 39.72 ? 172 TYR A CD1 1 ATOM 1225 C CD2 . TYR A 1 154 ? -9.433 -39.753 7.088 1.00 42.91 ? 172 TYR A CD2 1 ATOM 1226 C CE1 . TYR A 1 154 ? -9.408 -40.284 4.362 1.00 35.15 ? 172 TYR A CE1 1 ATOM 1227 C CE2 . TYR A 1 154 ? -8.254 -40.179 6.471 1.00 36.26 ? 172 TYR A CE2 1 ATOM 1228 C CZ . TYR A 1 154 ? -8.251 -40.444 5.110 1.00 35.77 ? 172 TYR A CZ 1 ATOM 1229 O OH . TYR A 1 154 ? -7.102 -40.890 4.502 1.00 33.87 ? 172 TYR A OH 1 ATOM 1230 N N . PRO A 1 155 A -14.727 -41.002 8.752 1.00 60.26 ? 172 PRO A N 1 ATOM 1231 C CA . PRO A 1 155 A -16.166 -40.934 9.040 1.00 62.50 ? 172 PRO A CA 1 ATOM 1232 C C . PRO A 1 155 A -16.703 -39.556 9.429 1.00 65.91 ? 172 PRO A C 1 ATOM 1233 O O . PRO A 1 155 A -17.889 -39.406 9.725 1.00 71.12 ? 172 PRO A O 1 ATOM 1234 C CB . PRO A 1 155 A -16.353 -41.984 10.140 1.00 65.10 ? 172 PRO A CB 1 ATOM 1235 C CG . PRO A 1 155 A -14.987 -42.097 10.767 1.00 64.23 ? 172 PRO A CG 1 ATOM 1236 C CD . PRO A 1 155 A -14.090 -42.052 9.567 1.00 58.21 ? 172 PRO A CD 1 ATOM 1237 N N . TRP A 1 156 ? -15.826 -38.556 9.423 1.00 64.40 ? 173 TRP A N 1 ATOM 1238 C CA . TRP A 1 156 ? -16.201 -37.182 9.736 1.00 57.76 ? 173 TRP A CA 1 ATOM 1239 C C . TRP A 1 156 ? -16.298 -36.390 8.433 1.00 57.35 ? 173 TRP A C 1 ATOM 1240 O O . TRP A 1 156 ? -16.594 -35.193 8.429 1.00 56.78 ? 173 TRP A O 1 ATOM 1241 C CB . TRP A 1 156 ? -15.169 -36.560 10.672 1.00 62.46 ? 173 TRP A CB 1 ATOM 1242 C CG . TRP A 1 156 ? -13.761 -36.817 10.267 1.00 63.90 ? 173 TRP A CG 1 ATOM 1243 C CD1 . TRP A 1 156 ? -12.988 -36.049 9.446 1.00 65.91 ? 173 TRP A CD1 1 ATOM 1244 C CD2 . TRP A 1 156 ? -12.952 -37.931 10.659 1.00 65.74 ? 173 TRP A CD2 1 ATOM 1245 N NE1 . TRP A 1 156 ? -11.741 -36.615 9.305 1.00 66.80 ? 173 TRP A NE1 1 ATOM 1246 C CE2 . TRP A 1 156 ? -11.693 -37.772 10.039 1.00 67.25 ? 173 TRP A CE2 1 ATOM 1247 C CE3 . TRP A 1 156 ? -13.169 -39.051 11.475 1.00 66.23 ? 173 TRP A CE3 1 ATOM 1248 C CZ2 . TRP A 1 156 ? -10.651 -38.691 10.210 1.00 68.72 ? 173 TRP A CZ2 1 ATOM 1249 C CZ3 . TRP A 1 156 ? -12.134 -39.966 11.644 1.00 68.08 ? 173 TRP A CZ3 1 ATOM 1250 C CH2 . TRP A 1 156 ? -10.890 -39.778 11.013 1.00 69.18 ? 173 TRP A CH2 1 ATOM 1251 N N . VAL A 1 157 ? -16.026 -37.081 7.329 1.00 48.69 ? 174 VAL A N 1 ATOM 1252 C CA . VAL A 1 157 ? -16.109 -36.512 5.986 1.00 41.42 ? 174 VAL A CA 1 ATOM 1253 C C . VAL A 1 157 ? -17.246 -37.301 5.334 1.00 39.12 ? 174 VAL A C 1 ATOM 1254 O O . VAL A 1 157 ? -17.016 -38.307 4.659 1.00 38.13 ? 174 VAL A O 1 ATOM 1255 C CB . VAL A 1 157 ? -14.796 -36.734 5.185 1.00 39.40 ? 174 VAL A CB 1 ATOM 1256 C CG1 . VAL A 1 157 ? -14.987 -36.331 3.729 1.00 38.75 ? 174 VAL A CG1 1 ATOM 1257 C CG2 . VAL A 1 157 ? -13.666 -35.918 5.808 1.00 42.29 ? 174 VAL A CG2 1 ATOM 1258 N N . PRO A 1 158 ? -18.495 -36.864 5.551 1.00 36.53 ? 175 PRO A N 1 ATOM 1259 C CA . PRO A 1 158 ? -19.663 -37.545 4.983 1.00 33.67 ? 175 PRO A CA 1 ATOM 1260 C C . PRO A 1 158 ? -19.755 -37.467 3.463 1.00 31.85 ? 175 PRO A C 1 ATOM 1261 O O . PRO A 1 158 ? -19.058 -36.681 2.820 1.00 30.63 ? 175 PRO A O 1 ATOM 1262 C CB . PRO A 1 158 ? -20.830 -36.849 5.674 1.00 36.33 ? 175 PRO A CB 1 ATOM 1263 C CG . PRO A 1 158 ? -20.336 -35.440 5.788 1.00 32.91 ? 175 PRO A CG 1 ATOM 1264 C CD . PRO A 1 158 ? -18.899 -35.637 6.264 1.00 33.82 ? 175 PRO A CD 1 ATOM 1265 N N . ALA A 1 159 ? -20.640 -38.280 2.898 1.00 31.55 ? 176 ALA A N 1 ATOM 1266 C CA . ALA A 1 159 ? -20.833 -38.329 1.457 1.00 30.36 ? 176 ALA A CA 1 ATOM 1267 C C . ALA A 1 159 ? -21.066 -36.961 0.828 1.00 30.90 ? 176 ALA A C 1 ATOM 1268 O O . ALA A 1 159 ? -20.635 -36.719 -0.294 1.00 31.94 ? 176 ALA A O 1 ATOM 1269 C CB . ALA A 1 159 ? -21.998 -39.264 1.115 1.00 29.95 ? 176 ALA A CB 1 ATOM 1270 N N . ASP A 1 160 ? -21.735 -36.061 1.546 1.00 23.58 ? 177 ASP A N 1 ATOM 1271 C CA . ASP A 1 160 ? -22.009 -34.736 0.999 1.00 28.88 ? 177 ASP A CA 1 ATOM 1272 C C . ASP A 1 160 ? -20.983 -33.665 1.353 1.00 27.38 ? 177 ASP A C 1 ATOM 1273 O O . ASP A 1 160 ? -21.184 -32.485 1.076 1.00 29.46 ? 177 ASP A O 1 ATOM 1274 C CB . ASP A 1 160 ? -23.399 -34.280 1.433 1.00 34.98 ? 177 ASP A CB 1 ATOM 1275 C CG . ASP A 1 160 ? -24.479 -35.227 0.961 1.00 38.95 ? 177 ASP A CG 1 ATOM 1276 O OD1 . ASP A 1 160 ? -24.583 -35.428 -0.266 1.00 35.54 ? 177 ASP A OD1 1 ATOM 1277 O OD2 . ASP A 1 160 ? -25.209 -35.775 1.813 1.00 33.06 ? 177 ASP A OD2 1 ATOM 1278 N N . SER A 1 161 ? -19.885 -34.083 1.962 1.00 31.97 ? 178 SER A N 1 ATOM 1279 C CA . SER A 1 161 ? -18.822 -33.160 2.339 1.00 32.22 ? 178 SER A CA 1 ATOM 1280 C C . SER A 1 161 ? -18.355 -32.387 1.103 1.00 32.71 ? 178 SER A C 1 ATOM 1281 O O . SER A 1 161 ? -18.299 -32.934 0.001 1.00 32.54 ? 178 SER A O 1 ATOM 1282 C CB . SER A 1 161 ? -17.656 -33.952 2.947 1.00 30.79 ? 178 SER A CB 1 ATOM 1283 O OG . SER A 1 161 ? -16.530 -33.130 3.196 1.00 33.90 ? 178 SER A OG 1 ATOM 1284 N N . ARG A 1 162 ? -18.051 -31.106 1.281 1.00 29.22 ? 179 ARG A N 1 ATOM 1285 C CA . ARG A 1 162 ? -17.569 -30.287 0.175 1.00 24.41 ? 179 ARG A CA 1 ATOM 1286 C C . ARG A 1 162 ? -16.060 -30.519 0.135 1.00 24.33 ? 179 ARG A C 1 ATOM 1287 O O . ARG A 1 162 ? -15.252 -29.629 0.434 1.00 24.91 ? 179 ARG A O 1 ATOM 1288 C CB . ARG A 1 162 ? -17.902 -28.817 0.424 1.00 31.14 ? 179 ARG A CB 1 ATOM 1289 C CG . ARG A 1 162 ? -19.408 -28.553 0.406 1.00 29.03 ? 179 ARG A CG 1 ATOM 1290 C CD . ARG A 1 162 ? -19.745 -27.124 0.773 1.00 37.90 ? 179 ARG A CD 1 ATOM 1291 N NE . ARG A 1 162 ? -21.193 -26.916 0.812 1.00 42.58 ? 179 ARG A NE 1 ATOM 1292 C CZ . ARG A 1 162 ? -21.972 -26.873 -0.264 1.00 44.91 ? 179 ARG A CZ 1 ATOM 1293 N NH1 . ARG A 1 162 ? -21.444 -27.018 -1.473 1.00 40.02 ? 179 ARG A NH1 1 ATOM 1294 N NH2 . ARG A 1 162 ? -23.282 -26.692 -0.131 1.00 41.64 ? 179 ARG A NH2 1 ATOM 1295 N N . THR A 1 163 ? -15.710 -31.750 -0.215 1.00 24.90 ? 180 THR A N 1 ATOM 1296 C CA . THR A 1 163 ? -14.328 -32.194 -0.283 1.00 28.25 ? 180 THR A CA 1 ATOM 1297 C C . THR A 1 163 ? -14.094 -33.111 -1.477 1.00 30.54 ? 180 THR A C 1 ATOM 1298 O O . THR A 1 163 ? -15.032 -33.684 -2.033 1.00 29.03 ? 180 THR A O 1 ATOM 1299 C CB . THR A 1 163 ? -13.955 -32.985 0.981 1.00 30.60 ? 180 THR A CB 1 ATOM 1300 O OG1 . THR A 1 163 ? -14.941 -34.006 1.199 1.00 28.72 ? 180 THR A OG1 1 ATOM 1301 C CG2 . THR A 1 163 ? -13.891 -32.064 2.201 1.00 27.01 ? 180 THR A CG2 1 ATOM 1302 N N . LEU A 1 164 ? -12.828 -33.239 -1.859 1.00 23.52 ? 181 LEU A N 1 ATOM 1303 C CA . LEU A 1 164 ? -12.420 -34.108 -2.951 1.00 24.00 ? 181 LEU A CA 1 ATOM 1304 C C . LEU A 1 164 ? -11.541 -35.184 -2.333 1.00 26.24 ? 181 LEU A C 1 ATOM 1305 O O . LEU A 1 164 ? -10.722 -34.894 -1.455 1.00 28.14 ? 181 LEU A O 1 ATOM 1306 C CB . LEU A 1 164 ? -11.600 -33.331 -3.988 1.00 25.54 ? 181 LEU A CB 1 ATOM 1307 C CG . LEU A 1 164 ? -12.289 -32.198 -4.753 1.00 29.11 ? 181 LEU A CG 1 ATOM 1308 C CD1 . LEU A 1 164 ? -11.256 -31.431 -5.583 1.00 29.23 ? 181 LEU A CD1 1 ATOM 1309 C CD2 . LEU A 1 164 ? -13.383 -32.789 -5.644 1.00 27.09 ? 181 LEU A CD2 1 ATOM 1310 N N . CYS A 1 165 ? -11.733 -36.425 -2.762 1.00 24.76 ? 182 CYS A N 1 ATOM 1311 C CA . CYS A 1 165 ? -10.927 -37.534 -2.278 1.00 22.06 ? 182 CYS A CA 1 ATOM 1312 C C . CYS A 1 165 ? -9.882 -37.723 -3.378 1.00 26.63 ? 182 CYS A C 1 ATOM 1313 O O . CYS A 1 165 ? -10.233 -37.791 -4.560 1.00 25.54 ? 182 CYS A O 1 ATOM 1314 C CB . CYS A 1 165 ? -11.794 -38.784 -2.137 1.00 29.19 ? 182 CYS A CB 1 ATOM 1315 S SG . CYS A 1 165 ? -11.009 -40.166 -1.258 1.00 29.13 ? 182 CYS A SG 1 ATOM 1316 N N . ALA A 1 166 ? -8.608 -37.803 -3.008 1.00 25.17 ? 183 ALA A N 1 ATOM 1317 C CA . ALA A 1 166 ? -7.571 -37.926 -4.027 1.00 24.18 ? 183 ALA A CA 1 ATOM 1318 C C . ALA A 1 166 ? -6.285 -38.598 -3.562 1.00 25.90 ? 183 ALA A C 1 ATOM 1319 O O . ALA A 1 166 ? -5.937 -38.568 -2.377 1.00 26.71 ? 183 ALA A O 1 ATOM 1320 C CB . ALA A 1 166 ? -7.258 -36.546 -4.587 1.00 23.85 ? 183 ALA A CB 1 ATOM 1321 N N . GLY A 1 167 ? -5.589 -39.202 -4.523 1.00 25.79 ? 184 GLY A N 1 ATOM 1322 C CA . GLY A 1 167 ? -4.339 -39.888 -4.254 1.00 25.14 ? 184 GLY A CA 1 ATOM 1323 C C . GLY A 1 167 ? -4.111 -40.962 -5.307 1.00 25.79 ? 184 GLY A C 1 ATOM 1324 O O . GLY A 1 167 ? -4.508 -40.803 -6.461 1.00 24.08 ? 184 GLY A O 1 ATOM 1325 N N . ILE A 1 168 ? -3.464 -42.049 -4.909 1.00 27.36 ? 185 ILE A N 1 ATOM 1326 C CA . ILE A 1 168 ? -3.203 -43.176 -5.804 1.00 29.70 ? 185 ILE A CA 1 ATOM 1327 C C . ILE A 1 168 ? -3.666 -44.400 -5.029 1.00 31.11 ? 185 ILE A C 1 ATOM 1328 O O . ILE A 1 168 ? -3.087 -44.741 -3.999 1.00 31.55 ? 185 ILE A O 1 ATOM 1329 C CB . ILE A 1 168 ? -1.694 -43.319 -6.129 1.00 30.39 ? 185 ILE A CB 1 ATOM 1330 C CG1 . ILE A 1 168 ? -1.205 -42.087 -6.897 1.00 31.47 ? 185 ILE A CG1 1 ATOM 1331 C CG2 . ILE A 1 168 ? -1.454 -44.593 -6.947 1.00 35.54 ? 185 ILE A CG2 1 ATOM 1332 C CD1 . ILE A 1 168 ? -1.804 -41.933 -8.285 1.00 32.12 ? 185 ILE A CD1 1 ATOM 1333 N N . LEU A 1 169 ? -4.718 -45.049 -5.515 1.00 34.03 ? 186 LEU A N 1 ATOM 1334 C CA . LEU A 1 169 ? -5.270 -46.211 -4.828 1.00 39.40 ? 186 LEU A CA 1 ATOM 1335 C C . LEU A 1 169 ? -4.239 -47.279 -4.499 1.00 37.75 ? 186 LEU A C 1 ATOM 1336 O O . LEU A 1 169 ? -4.329 -47.934 -3.462 1.00 43.58 ? 186 LEU A O 1 ATOM 1337 C CB . LEU A 1 169 ? -6.416 -46.811 -5.647 1.00 37.98 ? 186 LEU A CB 1 ATOM 1338 C CG . LEU A 1 169 ? -7.641 -45.900 -5.749 1.00 44.00 ? 186 LEU A CG 1 ATOM 1339 C CD1 . LEU A 1 169 ? -8.750 -46.609 -6.510 1.00 47.69 ? 186 LEU A CD1 1 ATOM 1340 C CD2 . LEU A 1 169 ? -8.113 -45.521 -4.353 1.00 42.06 ? 186 LEU A CD2 1 ATOM 1341 N N . LYS A 1 170 A -3.252 -47.445 -5.371 1.00 41.52 ? 186 LYS A N 1 ATOM 1342 C CA . LYS A 1 170 A -2.207 -48.433 -5.142 1.00 44.08 ? 186 LYS A CA 1 ATOM 1343 C C . LYS A 1 170 A -1.221 -47.965 -4.074 1.00 44.81 ? 186 LYS A C 1 ATOM 1344 O O . LYS A 1 170 A -0.378 -48.739 -3.619 1.00 45.00 ? 186 LYS A O 1 ATOM 1345 C CB . LYS A 1 170 A -1.465 -48.725 -6.449 1.00 50.95 ? 186 LYS A CB 1 ATOM 1346 C CG . LYS A 1 170 A -2.368 -49.252 -7.561 1.00 57.35 ? 186 LYS A CG 1 ATOM 1347 C CD . LYS A 1 170 A -3.132 -50.497 -7.114 1.00 64.96 ? 186 LYS A CD 1 ATOM 1348 C CE . LYS A 1 170 A -4.078 -50.999 -8.199 1.00 67.92 ? 186 LYS A CE 1 ATOM 1349 N NZ . LYS A 1 170 A -4.864 -52.186 -7.746 1.00 69.92 ? 186 LYS A NZ 1 ATOM 1350 N N . GLY A 1 171 B -1.340 -46.701 -3.668 1.00 38.83 ? 186 GLY A N 1 ATOM 1351 C CA . GLY A 1 171 B -0.449 -46.151 -2.658 1.00 38.24 ? 186 GLY A CA 1 ATOM 1352 C C . GLY A 1 171 B 0.848 -45.622 -3.253 1.00 35.50 ? 186 GLY A C 1 ATOM 1353 O O . GLY A 1 171 B 1.042 -45.681 -4.461 1.00 37.30 ? 186 GLY A O 1 ATOM 1354 N N . GLY A 1 172 ? 1.731 -45.093 -2.412 1.00 36.86 ? 187 GLY A N 1 ATOM 1355 C CA . GLY A 1 172 ? 3.001 -44.585 -2.909 1.00 38.98 ? 187 GLY A CA 1 ATOM 1356 C C . GLY A 1 172 ? 3.133 -43.078 -3.076 1.00 36.18 ? 187 GLY A C 1 ATOM 1357 O O . GLY A 1 172 ? 4.232 -42.536 -2.914 1.00 30.05 ? 187 GLY A O 1 ATOM 1358 N N . ARG A 1 173 ? 2.031 -42.405 -3.410 1.00 31.85 ? 188 ARG A N 1 ATOM 1359 C CA . ARG A 1 173 ? 2.021 -40.948 -3.603 1.00 31.74 ? 188 ARG A CA 1 ATOM 1360 C C . ARG A 1 173 ? 0.881 -40.358 -2.787 1.00 30.81 ? 188 ARG A C 1 ATOM 1361 O O . ARG A 1 173 ? -0.262 -40.777 -2.928 1.00 31.18 ? 188 ARG A O 1 ATOM 1362 C CB . ARG A 1 173 ? 1.841 -40.606 -5.085 1.00 30.52 ? 188 ARG A CB 1 ATOM 1363 C CG . ARG A 1 173 ? 3.115 -40.778 -5.902 1.00 36.86 ? 188 ARG A CG 1 ATOM 1364 C CD . ARG A 1 173 ? 2.885 -40.469 -7.367 1.00 41.60 ? 188 ARG A CD 1 ATOM 1365 N NE . ARG A 1 173 ? 2.351 -41.616 -8.089 1.00 49.69 ? 188 ARG A NE 1 ATOM 1366 C CZ . ARG A 1 173 ? 1.957 -41.582 -9.358 1.00 56.02 ? 188 ARG A CZ 1 ATOM 1367 N NH1 . ARG A 1 173 ? 2.031 -40.449 -10.048 1.00 48.23 ? 188 ARG A NH1 1 ATOM 1368 N NH2 . ARG A 1 173 ? 1.501 -42.686 -9.941 1.00 51.87 ? 188 ARG A NH2 1 ATOM 1369 N N . ASP A 1 174 ? 1.184 -39.362 -1.958 1.00 30.67 ? 189 ASP A N 1 ATOM 1370 C CA . ASP A 1 174 ? 0.162 -38.802 -1.079 1.00 27.42 ? 189 ASP A CA 1 ATOM 1371 C C . ASP A 1 174 ? 0.725 -37.559 -0.391 1.00 31.00 ? 189 ASP A C 1 ATOM 1372 O O . ASP A 1 174 ? 1.942 -37.326 -0.417 1.00 27.65 ? 189 ASP A O 1 ATOM 1373 C CB . ASP A 1 174 ? -0.161 -39.891 -0.032 1.00 28.95 ? 189 ASP A CB 1 ATOM 1374 C CG . ASP A 1 174 ? -1.325 -39.542 0.882 1.00 30.37 ? 189 ASP A CG 1 ATOM 1375 O OD1 . ASP A 1 174 ? -1.452 -40.209 1.934 1.00 34.21 ? 189 ASP A OD1 1 ATOM 1376 O OD2 . ASP A 1 174 ? -2.112 -38.634 0.562 1.00 29.46 ? 189 ASP A OD2 1 ATOM 1377 N N . THR A 1 175 ? -0.148 -36.741 0.194 1.00 24.73 ? 190 THR A N 1 ATOM 1378 C CA . THR A 1 175 ? 0.324 -35.587 0.951 1.00 24.91 ? 190 THR A CA 1 ATOM 1379 C C . THR A 1 175 ? 0.604 -36.168 2.337 1.00 29.65 ? 190 THR A C 1 ATOM 1380 O O . THR A 1 175 ? 0.076 -37.232 2.676 1.00 29.88 ? 190 THR A O 1 ATOM 1381 C CB . THR A 1 175 ? -0.733 -34.465 1.041 1.00 27.11 ? 190 THR A CB 1 ATOM 1382 O OG1 . THR A 1 175 ? -2.038 -35.038 1.188 1.00 25.69 ? 190 THR A OG1 1 ATOM 1383 C CG2 . THR A 1 175 ? -0.681 -33.590 -0.221 1.00 24.36 ? 190 THR A CG2 1 ATOM 1384 N N . CYS A 1 176 ? 1.434 -35.499 3.132 1.00 26.63 ? 191 CYS A N 1 ATOM 1385 C CA . CYS A 1 176 ? 1.785 -36.024 4.450 1.00 28.54 ? 191 CYS A CA 1 ATOM 1386 C C . CYS A 1 176 ? 1.801 -34.940 5.509 1.00 28.20 ? 191 CYS A C 1 ATOM 1387 O O . CYS A 1 176 ? 1.422 -33.799 5.243 1.00 30.12 ? 191 CYS A O 1 ATOM 1388 C CB . CYS A 1 176 ? 3.162 -36.698 4.379 1.00 32.30 ? 191 CYS A CB 1 ATOM 1389 S SG . CYS A 1 176 ? 3.282 -37.899 3.017 1.00 34.99 ? 191 CYS A SG 1 ATOM 1390 N N . HIS A 1 177 ? 2.239 -35.299 6.713 1.00 29.46 ? 192 HIS A N 1 ATOM 1391 C CA . HIS A 1 177 ? 2.306 -34.337 7.808 1.00 31.49 ? 192 HIS A CA 1 ATOM 1392 C C . HIS A 1 177 ? 3.183 -33.160 7.395 1.00 28.66 ? 192 HIS A C 1 ATOM 1393 O O . HIS A 1 177 ? 4.317 -33.343 6.955 1.00 27.80 ? 192 HIS A O 1 ATOM 1394 C CB . HIS A 1 177 ? 2.872 -35.003 9.069 1.00 39.54 ? 192 HIS A CB 1 ATOM 1395 C CG . HIS A 1 177 ? 2.887 -34.107 10.269 1.00 46.50 ? 192 HIS A CG 1 ATOM 1396 N ND1 . HIS A 1 177 ? 3.929 -33.248 10.546 1.00 49.35 ? 192 HIS A ND1 1 ATOM 1397 C CD2 . HIS A 1 177 ? 1.970 -33.914 11.247 1.00 48.53 ? 192 HIS A CD2 1 ATOM 1398 C CE1 . HIS A 1 177 ? 3.654 -32.565 11.643 1.00 48.50 ? 192 HIS A CE1 1 ATOM 1399 N NE2 . HIS A 1 177 ? 2.471 -32.949 12.087 1.00 48.81 ? 192 HIS A NE2 1 ATOM 1400 N N . GLY A 1 178 ? 2.648 -31.952 7.537 1.00 27.49 ? 193 GLY A N 1 ATOM 1401 C CA . GLY A 1 178 ? 3.388 -30.766 7.153 1.00 25.62 ? 193 GLY A CA 1 ATOM 1402 C C . GLY A 1 178 ? 2.875 -30.230 5.827 1.00 24.52 ? 193 GLY A C 1 ATOM 1403 O O . GLY A 1 178 ? 3.137 -29.074 5.489 1.00 24.64 ? 193 GLY A O 1 ATOM 1404 N N . ASP A 1 179 ? 2.147 -31.059 5.075 1.00 24.08 ? 194 ASP A N 1 ATOM 1405 C CA . ASP A 1 179 ? 1.584 -30.635 3.780 1.00 22.27 ? 194 ASP A CA 1 ATOM 1406 C C . ASP A 1 179 ? 0.177 -30.031 3.881 1.00 23.50 ? 194 ASP A C 1 ATOM 1407 O O . ASP A 1 179 ? -0.316 -29.427 2.918 1.00 20.96 ? 194 ASP A O 1 ATOM 1408 C CB . ASP A 1 179 ? 1.494 -31.800 2.797 1.00 22.99 ? 194 ASP A CB 1 ATOM 1409 C CG . ASP A 1 179 ? 2.847 -32.307 2.357 1.00 25.14 ? 194 ASP A CG 1 ATOM 1410 O OD1 . ASP A 1 179 ? 3.743 -31.470 2.120 1.00 24.47 ? 194 ASP A OD1 1 ATOM 1411 O OD2 . ASP A 1 179 ? 2.998 -33.542 2.231 1.00 25.04 ? 194 ASP A OD2 1 ATOM 1412 N N . SER A 1 180 ? -0.483 -30.202 5.024 1.00 25.24 ? 195 SER A N 1 ATOM 1413 C CA . SER A 1 180 ? -1.838 -29.663 5.178 1.00 21.10 ? 195 SER A CA 1 ATOM 1414 C C . SER A 1 180 ? -1.907 -28.186 4.828 1.00 22.33 ? 195 SER A C 1 ATOM 1415 O O . SER A 1 180 ? -0.956 -27.437 5.057 1.00 29.12 ? 195 SER A O 1 ATOM 1416 C CB . SER A 1 180 ? -2.344 -29.880 6.617 1.00 21.29 ? 195 SER A CB 1 ATOM 1417 O OG . SER A 1 180 ? -2.650 -31.243 6.820 1.00 31.83 ? 195 SER A OG 1 ATOM 1418 N N . GLY A 1 181 ? -3.042 -27.771 4.272 1.00 20.76 ? 196 GLY A N 1 ATOM 1419 C CA . GLY A 1 181 ? -3.220 -26.381 3.905 1.00 19.53 ? 196 GLY A CA 1 ATOM 1420 C C . GLY A 1 181 ? -2.717 -26.023 2.521 1.00 22.16 ? 196 GLY A C 1 ATOM 1421 O O . GLY A 1 181 ? -3.056 -24.961 1.995 1.00 22.21 ? 196 GLY A O 1 ATOM 1422 N N . GLY A 1 182 ? -1.906 -26.905 1.941 1.00 23.34 ? 197 GLY A N 1 ATOM 1423 C CA . GLY A 1 182 ? -1.347 -26.664 0.620 1.00 20.63 ? 197 GLY A CA 1 ATOM 1424 C C . GLY A 1 182 ? -2.368 -26.805 -0.495 1.00 21.92 ? 197 GLY A C 1 ATOM 1425 O O . GLY A 1 182 ? -3.466 -27.300 -0.272 1.00 20.74 ? 197 GLY A O 1 ATOM 1426 N N . PRO A 1 183 ? -2.030 -26.372 -1.714 1.00 23.56 ? 198 PRO A N 1 ATOM 1427 C CA . PRO A 1 183 ? -2.957 -26.465 -2.847 1.00 22.90 ? 198 PRO A CA 1 ATOM 1428 C C . PRO A 1 183 ? -2.893 -27.762 -3.644 1.00 24.76 ? 198 PRO A C 1 ATOM 1429 O O . PRO A 1 183 ? -1.825 -28.374 -3.791 1.00 23.16 ? 198 PRO A O 1 ATOM 1430 C CB . PRO A 1 183 ? -2.548 -25.281 -3.710 1.00 22.94 ? 198 PRO A CB 1 ATOM 1431 C CG . PRO A 1 183 ? -1.040 -25.297 -3.549 1.00 27.82 ? 198 PRO A CG 1 ATOM 1432 C CD . PRO A 1 183 ? -0.881 -25.505 -2.045 1.00 21.88 ? 198 PRO A CD 1 ATOM 1433 N N . LEU A 1 184 ? -4.056 -28.177 -4.139 1.00 20.04 ? 199 LEU A N 1 ATOM 1434 C CA . LEU A 1 184 ? -4.174 -29.338 -5.010 1.00 22.73 ? 199 LEU A CA 1 ATOM 1435 C C . LEU A 1 184 ? -4.418 -28.635 -6.341 1.00 24.24 ? 199 LEU A C 1 ATOM 1436 O O . LEU A 1 184 ? -5.439 -27.963 -6.505 1.00 23.68 ? 199 LEU A O 1 ATOM 1437 C CB . LEU A 1 184 ? -5.393 -30.189 -4.639 1.00 21.82 ? 199 LEU A CB 1 ATOM 1438 C CG . LEU A 1 184 ? -5.777 -31.324 -5.592 1.00 26.37 ? 199 LEU A CG 1 ATOM 1439 C CD1 . LEU A 1 184 ? -4.731 -32.430 -5.552 1.00 25.52 ? 199 LEU A CD1 1 ATOM 1440 C CD2 . LEU A 1 184 ? -7.147 -31.868 -5.195 1.00 29.31 ? 199 LEU A CD2 1 ATOM 1441 N N . ILE A 1 185 ? -3.484 -28.766 -7.279 1.00 23.40 ? 200 ILE A N 1 ATOM 1442 C CA . ILE A 1 185 ? -3.608 -28.095 -8.571 1.00 21.22 ? 200 ILE A CA 1 ATOM 1443 C C . ILE A 1 185 ? -4.078 -29.040 -9.665 1.00 21.30 ? 200 ILE A C 1 ATOM 1444 O O . ILE A 1 185 ? -3.478 -30.089 -9.883 1.00 25.46 ? 200 ILE A O 1 ATOM 1445 C CB . ILE A 1 185 ? -2.251 -27.473 -8.993 1.00 27.25 ? 200 ILE A CB 1 ATOM 1446 C CG1 . ILE A 1 185 ? -1.756 -26.509 -7.907 1.00 24.03 ? 200 ILE A CG1 1 ATOM 1447 C CG2 . ILE A 1 185 ? -2.395 -26.744 -10.322 1.00 31.40 ? 200 ILE A CG2 1 ATOM 1448 C CD1 . ILE A 1 185 ? -2.680 -25.291 -7.656 1.00 20.70 ? 200 ILE A CD1 1 ATOM 1449 N N . CYS A 1 186 ? -5.162 -28.674 -10.344 1.00 27.89 ? 201 CYS A N 1 ATOM 1450 C CA . CYS A 1 186 ? -5.688 -29.500 -11.425 1.00 30.06 ? 201 CYS A CA 1 ATOM 1451 C C . CYS A 1 186 ? -5.983 -28.571 -12.600 1.00 31.13 ? 201 CYS A C 1 ATOM 1452 O O . CYS A 1 186 ? -6.753 -27.621 -12.471 1.00 28.83 ? 201 CYS A O 1 ATOM 1453 C CB . CYS A 1 186 ? -6.986 -30.215 -11.017 1.00 28.33 ? 201 CYS A CB 1 ATOM 1454 S SG . CYS A 1 186 ? -7.102 -30.971 -9.354 1.00 32.69 ? 201 CYS A SG 1 ATOM 1455 N N . ASN A 1 187 ? -5.371 -28.848 -13.743 1.00 35.53 ? 202 ASN A N 1 ATOM 1456 C CA . ASN A 1 187 ? -5.571 -28.027 -14.932 1.00 36.21 ? 202 ASN A CA 1 ATOM 1457 C C . ASN A 1 187 ? -5.222 -26.561 -14.677 1.00 38.05 ? 202 ASN A C 1 ATOM 1458 O O . ASN A 1 187 ? -5.960 -25.660 -15.079 1.00 38.06 ? 202 ASN A O 1 ATOM 1459 C CB . ASN A 1 187 ? -7.022 -28.135 -15.414 1.00 40.60 ? 202 ASN A CB 1 ATOM 1460 C CG . ASN A 1 187 ? -7.393 -29.545 -15.847 1.00 46.13 ? 202 ASN A CG 1 ATOM 1461 O OD1 . ASN A 1 187 ? -7.576 -30.439 -15.021 1.00 49.45 ? 202 ASN A OD1 1 ATOM 1462 N ND2 . ASN A 1 187 ? -7.499 -29.749 -17.155 1.00 53.44 ? 202 ASN A ND2 1 ATOM 1463 N N . GLY A 1 188 ? -4.102 -26.329 -13.993 1.00 33.50 ? 207 GLY A N 1 ATOM 1464 C CA . GLY A 1 188 ? -3.664 -24.972 -13.712 1.00 35.16 ? 207 GLY A CA 1 ATOM 1465 C C . GLY A 1 188 ? -4.504 -24.144 -12.752 1.00 35.53 ? 207 GLY A C 1 ATOM 1466 O O . GLY A 1 188 ? -4.340 -22.926 -12.679 1.00 36.19 ? 207 GLY A O 1 ATOM 1467 N N . GLU A 1 189 ? -5.399 -24.789 -12.011 1.00 29.28 ? 208 GLU A N 1 ATOM 1468 C CA . GLU A 1 189 ? -6.246 -24.077 -11.058 1.00 28.54 ? 208 GLU A CA 1 ATOM 1469 C C . GLU A 1 189 ? -6.189 -24.779 -9.708 1.00 27.87 ? 208 GLU A C 1 ATOM 1470 O O . GLU A 1 189 ? -5.937 -25.988 -9.640 1.00 26.44 ? 208 GLU A O 1 ATOM 1471 C CB . GLU A 1 189 ? -7.700 -24.056 -11.546 1.00 26.98 ? 208 GLU A CB 1 ATOM 1472 C CG . GLU A 1 189 ? -7.935 -23.222 -12.796 1.00 34.61 ? 208 GLU A CG 1 ATOM 1473 C CD . GLU A 1 189 ? -9.334 -23.404 -13.362 1.00 37.71 ? 208 GLU A CD 1 ATOM 1474 O OE1 . GLU A 1 189 ? -9.689 -22.678 -14.308 1.00 41.20 ? 208 GLU A OE1 1 ATOM 1475 O OE2 . GLU A 1 189 ? -10.076 -24.277 -12.866 1.00 40.60 ? 208 GLU A OE2 1 ATOM 1476 N N . MET A 1 190 ? -6.423 -24.029 -8.636 1.00 23.91 ? 209 MET A N 1 ATOM 1477 C CA . MET A 1 190 ? -6.416 -24.621 -7.299 1.00 24.82 ? 209 MET A CA 1 ATOM 1478 C C . MET A 1 190 ? -7.792 -25.202 -6.982 1.00 25.14 ? 209 MET A C 1 ATOM 1479 O O . MET A 1 190 ? -8.725 -24.479 -6.621 1.00 29.47 ? 209 MET A O 1 ATOM 1480 C CB . MET A 1 190 ? -6.054 -23.578 -6.255 1.00 23.32 ? 209 MET A CB 1 ATOM 1481 C CG . MET A 1 190 ? -5.937 -24.155 -4.853 1.00 23.36 ? 209 MET A CG 1 ATOM 1482 S SD . MET A 1 190 ? -5.483 -22.860 -3.705 1.00 26.86 ? 209 MET A SD 1 ATOM 1483 C CE . MET A 1 190 ? -5.719 -23.707 -2.113 1.00 27.24 ? 209 MET A CE 1 ATOM 1484 N N . HIS A 1 191 ? -7.910 -26.515 -7.105 1.00 22.53 ? 210 HIS A N 1 ATOM 1485 C CA . HIS A 1 191 ? -9.173 -27.189 -6.867 1.00 23.94 ? 210 HIS A CA 1 ATOM 1486 C C . HIS A 1 191 ? -9.326 -27.697 -5.442 1.00 23.38 ? 210 HIS A C 1 ATOM 1487 O O . HIS A 1 191 ? -10.434 -27.990 -4.999 1.00 25.04 ? 210 HIS A O 1 ATOM 1488 C CB . HIS A 1 191 ? -9.327 -28.342 -7.865 1.00 29.45 ? 210 HIS A CB 1 ATOM 1489 C CG . HIS A 1 191 ? -9.792 -27.902 -9.219 1.00 26.10 ? 210 HIS A CG 1 ATOM 1490 N ND1 . HIS A 1 191 ? -11.117 -27.954 -9.599 1.00 26.78 ? 210 HIS A ND1 1 ATOM 1491 C CD2 . HIS A 1 191 ? -9.124 -27.343 -10.257 1.00 30.54 ? 210 HIS A CD2 1 ATOM 1492 C CE1 . HIS A 1 191 ? -11.246 -27.443 -10.811 1.00 27.67 ? 210 HIS A CE1 1 ATOM 1493 N NE2 . HIS A 1 191 ? -10.052 -27.063 -11.234 1.00 26.51 ? 210 HIS A NE2 1 ATOM 1494 N N . GLY A 1 192 ? -8.219 -27.789 -4.716 1.00 23.67 ? 211 GLY A N 1 ATOM 1495 C CA . GLY A 1 192 ? -8.316 -28.272 -3.353 1.00 24.30 ? 211 GLY A CA 1 ATOM 1496 C C . GLY A 1 192 ? -7.336 -27.660 -2.381 1.00 25.76 ? 211 GLY A C 1 ATOM 1497 O O . GLY A 1 192 ? -6.363 -27.017 -2.775 1.00 24.92 ? 211 GLY A O 1 ATOM 1498 N N . ILE A 1 193 ? -7.630 -27.849 -1.100 1.00 23.95 ? 212 ILE A N 1 ATOM 1499 C CA . ILE A 1 193 ? -6.777 -27.393 -0.011 1.00 25.31 ? 212 ILE A CA 1 ATOM 1500 C C . ILE A 1 193 ? -6.510 -28.685 0.747 1.00 22.97 ? 212 ILE A C 1 ATOM 1501 O O . ILE A 1 193 ? -7.447 -29.398 1.107 1.00 24.22 ? 212 ILE A O 1 ATOM 1502 C CB . ILE A 1 193 ? -7.508 -26.414 0.939 1.00 27.77 ? 212 ILE A CB 1 ATOM 1503 C CG1 . ILE A 1 193 ? -7.767 -25.090 0.229 1.00 24.87 ? 212 ILE A CG1 1 ATOM 1504 C CG2 . ILE A 1 193 ? -6.660 -26.174 2.208 1.00 24.77 ? 212 ILE A CG2 1 ATOM 1505 C CD1 . ILE A 1 193 ? -8.813 -24.234 0.930 1.00 30.50 ? 212 ILE A CD1 1 ATOM 1506 N N . VAL A 1 194 ? -5.246 -29.002 0.991 1.00 20.28 ? 213 VAL A N 1 ATOM 1507 C CA . VAL A 1 194 ? -4.942 -30.236 1.707 1.00 18.64 ? 213 VAL A CA 1 ATOM 1508 C C . VAL A 1 194 ? -5.575 -30.174 3.093 1.00 24.33 ? 213 VAL A C 1 ATOM 1509 O O . VAL A 1 194 ? -5.296 -29.263 3.873 1.00 23.36 ? 213 VAL A O 1 ATOM 1510 C CB . VAL A 1 194 ? -3.419 -30.459 1.871 1.00 20.73 ? 213 VAL A CB 1 ATOM 1511 C CG1 . VAL A 1 194 ? -3.178 -31.799 2.561 1.00 20.56 ? 213 VAL A CG1 1 ATOM 1512 C CG2 . VAL A 1 194 ? -2.717 -30.421 0.503 1.00 23.82 ? 213 VAL A CG2 1 ATOM 1513 N N . ALA A 1 195 ? -6.434 -31.143 3.390 1.00 23.63 ? 214 ALA A N 1 ATOM 1514 C CA . ALA A 1 195 ? -7.106 -31.187 4.680 1.00 27.53 ? 214 ALA A CA 1 ATOM 1515 C C . ALA A 1 195 ? -6.482 -32.259 5.558 1.00 29.18 ? 214 ALA A C 1 ATOM 1516 O O . ALA A 1 195 ? -6.201 -32.019 6.728 1.00 34.01 ? 214 ALA A O 1 ATOM 1517 C CB . ALA A 1 195 ? -8.597 -31.460 4.492 1.00 25.64 ? 214 ALA A CB 1 ATOM 1518 N N . GLY A 1 196 ? -6.259 -33.441 4.997 1.00 30.29 ? 215 GLY A N 1 ATOM 1519 C CA . GLY A 1 196 ? -5.655 -34.499 5.785 1.00 29.14 ? 215 GLY A CA 1 ATOM 1520 C C . GLY A 1 196 ? -5.843 -35.897 5.238 1.00 30.55 ? 215 GLY A C 1 ATOM 1521 O O . GLY A 1 196 ? -6.761 -36.154 4.463 1.00 28.71 ? 215 GLY A O 1 ATOM 1522 N N . GLY A 1 197 ? -4.958 -36.802 5.644 1.00 26.34 ? 216 GLY A N 1 ATOM 1523 C CA . GLY A 1 197 ? -5.042 -38.177 5.197 1.00 29.73 ? 216 GLY A CA 1 ATOM 1524 C C . GLY A 1 197 ? -4.786 -39.141 6.341 1.00 32.67 ? 216 GLY A C 1 ATOM 1525 O O . GLY A 1 197 ? -4.994 -38.806 7.510 1.00 34.10 ? 216 GLY A O 1 ATOM 1526 N N . SER A 1 198 ? -4.336 -40.342 6.004 1.00 33.56 ? 217 SER A N 1 ATOM 1527 C CA . SER A 1 198 ? -4.051 -41.357 7.009 1.00 38.45 ? 217 SER A CA 1 ATOM 1528 C C . SER A 1 198 ? -2.559 -41.388 7.327 1.00 42.20 ? 217 SER A C 1 ATOM 1529 O O . SER A 1 198 ? -1.733 -41.002 6.501 1.00 38.02 ? 217 SER A O 1 ATOM 1530 C CB . SER A 1 198 ? -4.505 -42.729 6.509 1.00 38.77 ? 217 SER A CB 1 ATOM 1531 O OG . SER A 1 198 ? -5.897 -42.732 6.244 1.00 35.79 ? 217 SER A OG 1 ATOM 1532 N N . GLU A 1 199 ? -2.223 -41.842 8.531 1.00 46.01 ? 218 GLU A N 1 ATOM 1533 C CA . GLU A 1 199 ? -0.832 -41.933 8.956 1.00 48.58 ? 218 GLU A CA 1 ATOM 1534 C C . GLU A 1 199 ? -0.471 -43.387 9.223 1.00 47.48 ? 218 GLU A C 1 ATOM 1535 O O . GLU A 1 199 ? -1.181 -44.085 9.943 1.00 48.04 ? 218 GLU A O 1 ATOM 1536 C CB . GLU A 1 199 ? -0.605 -41.109 10.223 1.00 54.86 ? 218 GLU A CB 1 ATOM 1537 C CG . GLU A 1 199 ? -0.834 -39.619 10.045 1.00 65.68 ? 218 GLU A CG 1 ATOM 1538 C CD . GLU A 1 199 ? -0.500 -38.830 11.295 1.00 71.84 ? 218 GLU A CD 1 ATOM 1539 O OE1 . GLU A 1 199 ? 0.679 -38.850 11.713 1.00 75.27 ? 218 GLU A OE1 1 ATOM 1540 O OE2 . GLU A 1 199 ? -1.415 -38.193 11.860 1.00 74.27 ? 218 GLU A OE2 1 ATOM 1541 N N . PRO A 1 200 ? 0.635 -43.866 8.633 1.00 47.34 ? 219 PRO A N 1 ATOM 1542 C CA . PRO A 1 200 ? 1.516 -43.094 7.751 1.00 44.79 ? 219 PRO A CA 1 ATOM 1543 C C . PRO A 1 200 ? 0.868 -42.820 6.392 1.00 43.29 ? 219 PRO A C 1 ATOM 1544 O O . PRO A 1 200 ? -0.044 -43.537 5.975 1.00 37.53 ? 219 PRO A O 1 ATOM 1545 C CB . PRO A 1 200 ? 2.746 -43.986 7.637 1.00 43.87 ? 219 PRO A CB 1 ATOM 1546 C CG . PRO A 1 200 ? 2.148 -45.358 7.677 1.00 51.00 ? 219 PRO A CG 1 ATOM 1547 C CD . PRO A 1 200 ? 1.142 -45.239 8.805 1.00 49.17 ? 219 PRO A CD 1 ATOM 1548 N N . CYS A 1 201 ? 1.346 -41.782 5.711 1.00 39.18 ? 220 CYS A N 1 ATOM 1549 C CA . CYS A 1 201 ? 0.818 -41.408 4.401 1.00 35.53 ? 220 CYS A CA 1 ATOM 1550 C C . CYS A 1 201 ? 1.253 -42.373 3.310 1.00 35.88 ? 220 CYS A C 1 ATOM 1551 O O . CYS A 1 201 ? 2.216 -43.121 3.478 1.00 35.67 ? 220 CYS A O 1 ATOM 1552 C CB . CYS A 1 201 ? 1.272 -39.985 4.027 1.00 37.78 ? 220 CYS A CB 1 ATOM 1553 S SG . CYS A 1 201 ? 3.080 -39.714 3.937 1.00 40.05 ? 220 CYS A SG 1 ATOM 1554 N N . GLY A 1 202 ? 0.527 -42.356 2.196 1.00 28.40 ? 221 GLY A N 1 ATOM 1555 C CA . GLY A 1 202 ? 0.865 -43.204 1.067 1.00 31.87 ? 221 GLY A CA 1 ATOM 1556 C C . GLY A 1 202 ? 0.439 -44.659 1.134 1.00 36.74 ? 221 GLY A C 1 ATOM 1557 O O . GLY A 1 202 ? 0.883 -45.471 0.317 1.00 36.34 ? 221 GLY A O 1 ATOM 1558 N N . GLN A 1 203 A -0.420 -44.999 2.088 1.00 34.06 ? 221 GLN A N 1 ATOM 1559 C CA . GLN A 1 203 A -0.875 -46.379 2.223 1.00 39.42 ? 221 GLN A CA 1 ATOM 1560 C C . GLN A 1 203 A -1.809 -46.817 1.108 1.00 40.73 ? 221 GLN A C 1 ATOM 1561 O O . GLN A 1 203 A -2.549 -46.013 0.535 1.00 39.09 ? 221 GLN A O 1 ATOM 1562 C CB . GLN A 1 203 A -1.593 -46.588 3.555 1.00 40.22 ? 221 GLN A CB 1 ATOM 1563 C CG . GLN A 1 203 A -0.724 -46.451 4.776 1.00 40.72 ? 221 GLN A CG 1 ATOM 1564 C CD . GLN A 1 203 A -1.509 -46.654 6.049 1.00 42.39 ? 221 GLN A CD 1 ATOM 1565 O OE1 . GLN A 1 203 A -2.115 -47.703 6.250 1.00 45.81 ? 221 GLN A OE1 1 ATOM 1566 N NE2 . GLN A 1 203 A -1.507 -45.647 6.916 1.00 42.42 ? 221 GLN A NE2 1 ATOM 1567 N N . HIS A 1 204 ? -1.765 -48.112 0.818 1.00 40.04 ? 222 HIS A N 1 ATOM 1568 C CA . HIS A 1 204 ? -2.609 -48.733 -0.197 1.00 43.26 ? 222 HIS A CA 1 ATOM 1569 C C . HIS A 1 204 ? -4.079 -48.473 0.159 1.00 38.93 ? 222 HIS A C 1 ATOM 1570 O O . HIS A 1 204 ? -4.486 -48.639 1.308 1.00 39.07 ? 222 HIS A O 1 ATOM 1571 C CB . HIS A 1 204 ? -2.321 -50.242 -0.215 1.00 50.90 ? 222 HIS A CB 1 ATOM 1572 C CG . HIS A 1 204 ? -3.174 -51.027 -1.166 1.00 56.96 ? 222 HIS A CG 1 ATOM 1573 N ND1 . HIS A 1 204 ? -3.178 -50.802 -2.527 1.00 61.13 ? 222 HIS A ND1 1 ATOM 1574 C CD2 . HIS A 1 204 ? -4.024 -52.060 -0.954 1.00 55.53 ? 222 HIS A CD2 1 ATOM 1575 C CE1 . HIS A 1 204 ? -3.993 -51.663 -3.111 1.00 59.65 ? 222 HIS A CE1 1 ATOM 1576 N NE2 . HIS A 1 204 ? -4.519 -52.438 -2.179 1.00 60.87 ? 222 HIS A NE2 1 ATOM 1577 N N . LEU A 1 205 ? -4.860 -48.045 -0.825 1.00 39.33 ? 223 LEU A N 1 ATOM 1578 C CA . LEU A 1 205 ? -6.285 -47.772 -0.634 1.00 37.70 ? 223 LEU A CA 1 ATOM 1579 C C . LEU A 1 205 ? -6.642 -46.728 0.430 1.00 37.68 ? 223 LEU A C 1 ATOM 1580 O O . LEU A 1 205 ? -7.719 -46.790 1.026 1.00 35.66 ? 223 LEU A O 1 ATOM 1581 C CB . LEU A 1 205 ? -7.026 -49.081 -0.330 1.00 40.97 ? 223 LEU A CB 1 ATOM 1582 C CG . LEU A 1 205 ? -6.866 -50.204 -1.358 1.00 39.73 ? 223 LEU A CG 1 ATOM 1583 C CD1 . LEU A 1 205 ? -7.698 -51.407 -0.936 1.00 47.17 ? 223 LEU A CD1 1 ATOM 1584 C CD2 . LEU A 1 205 ? -7.304 -49.717 -2.729 1.00 42.08 ? 223 LEU A CD2 1 ATOM 1585 N N . LYS A 1 206 ? -5.756 -45.769 0.678 1.00 31.15 ? 224 LYS A N 1 ATOM 1586 C CA . LYS A 1 206 ? -6.060 -44.737 1.657 1.00 32.42 ? 224 LYS A CA 1 ATOM 1587 C C . LYS A 1 206 ? -5.784 -43.335 1.133 1.00 34.28 ? 224 LYS A C 1 ATOM 1588 O O . LYS A 1 206 ? -4.858 -42.658 1.581 1.00 33.22 ? 224 LYS A O 1 ATOM 1589 C CB . LYS A 1 206 ? -5.299 -44.977 2.964 1.00 36.97 ? 224 LYS A CB 1 ATOM 1590 C CG . LYS A 1 206 ? -5.824 -46.167 3.757 1.00 36.77 ? 224 LYS A CG 1 ATOM 1591 C CD . LYS A 1 206 ? -5.104 -46.332 5.076 1.00 37.62 ? 224 LYS A CD 1 ATOM 1592 C CE . LYS A 1 206 ? -5.576 -47.596 5.789 1.00 44.89 ? 224 LYS A CE 1 ATOM 1593 N NZ . LYS A 1 206 ? -4.852 -47.821 7.070 1.00 46.66 ? 224 LYS A NZ 1 ATOM 1594 N N . PRO A 1 207 ? -6.586 -42.888 0.157 1.00 32.74 ? 225 PRO A N 1 ATOM 1595 C CA . PRO A 1 207 ? -6.415 -41.551 -0.414 1.00 28.56 ? 225 PRO A CA 1 ATOM 1596 C C . PRO A 1 207 ? -6.649 -40.507 0.671 1.00 29.36 ? 225 PRO A C 1 ATOM 1597 O O . PRO A 1 207 ? -7.125 -40.840 1.765 1.00 31.68 ? 225 PRO A O 1 ATOM 1598 C CB . PRO A 1 207 ? -7.473 -41.509 -1.515 1.00 31.37 ? 225 PRO A CB 1 ATOM 1599 C CG . PRO A 1 207 ? -8.541 -42.432 -0.989 1.00 29.44 ? 225 PRO A CG 1 ATOM 1600 C CD . PRO A 1 207 ? -7.726 -43.584 -0.468 1.00 28.57 ? 225 PRO A CD 1 ATOM 1601 N N . ALA A 1 208 ? -6.317 -39.253 0.370 1.00 25.01 ? 226 ALA A N 1 ATOM 1602 C CA . ALA A 1 208 ? -6.472 -38.162 1.325 1.00 26.90 ? 226 ALA A CA 1 ATOM 1603 C C . ALA A 1 208 ? -7.654 -37.254 1.003 1.00 28.45 ? 226 ALA A C 1 ATOM 1604 O O . ALA A 1 208 ? -8.272 -37.360 -0.060 1.00 26.48 ? 226 ALA A O 1 ATOM 1605 C CB . ALA A 1 208 ? -5.185 -37.340 1.387 1.00 27.72 ? 226 ALA A CB 1 ATOM 1606 N N . VAL A 1 209 ? -7.950 -36.351 1.932 1.00 23.55 ? 227 VAL A N 1 ATOM 1607 C CA . VAL A 1 209 ? -9.062 -35.420 1.799 1.00 26.96 ? 227 VAL A CA 1 ATOM 1608 C C . VAL A 1 209 ? -8.607 -34.005 1.488 1.00 26.60 ? 227 VAL A C 1 ATOM 1609 O O . VAL A 1 209 ? -7.703 -33.475 2.129 1.00 28.30 ? 227 VAL A O 1 ATOM 1610 C CB . VAL A 1 209 ? -9.896 -35.381 3.098 1.00 29.77 ? 227 VAL A CB 1 ATOM 1611 C CG1 . VAL A 1 209 ? -11.069 -34.418 2.942 1.00 27.17 ? 227 VAL A CG1 1 ATOM 1612 C CG2 . VAL A 1 209 ? -10.386 -36.776 3.435 1.00 29.47 ? 227 VAL A CG2 1 ATOM 1613 N N . TYR A 1 210 ? -9.252 -33.389 0.506 1.00 24.17 ? 228 TYR A N 1 ATOM 1614 C CA . TYR A 1 210 ? -8.921 -32.028 0.111 1.00 26.82 ? 228 TYR A CA 1 ATOM 1615 C C . TYR A 1 210 ? -10.197 -31.197 0.081 1.00 27.31 ? 228 TYR A C 1 ATOM 1616 O O . TYR A 1 210 ? -11.189 -31.609 -0.512 1.00 28.00 ? 228 TYR A O 1 ATOM 1617 C CB . TYR A 1 210 ? -8.275 -32.023 -1.279 1.00 23.94 ? 228 TYR A CB 1 ATOM 1618 C CG . TYR A 1 210 ? -7.012 -32.857 -1.355 1.00 22.87 ? 228 TYR A CG 1 ATOM 1619 C CD1 . TYR A 1 210 ? -7.071 -34.249 -1.364 1.00 24.04 ? 228 TYR A CD1 1 ATOM 1620 C CD2 . TYR A 1 210 ? -5.754 -32.248 -1.359 1.00 22.58 ? 228 TYR A CD2 1 ATOM 1621 C CE1 . TYR A 1 210 ? -5.905 -35.020 -1.370 1.00 24.34 ? 228 TYR A CE1 1 ATOM 1622 C CE2 . TYR A 1 210 ? -4.582 -33.009 -1.360 1.00 22.12 ? 228 TYR A CE2 1 ATOM 1623 C CZ . TYR A 1 210 ? -4.665 -34.390 -1.363 1.00 26.81 ? 228 TYR A CZ 1 ATOM 1624 O OH . TYR A 1 210 ? -3.507 -35.142 -1.339 1.00 24.24 ? 228 TYR A OH 1 ATOM 1625 N N . THR A 1 211 ? -10.180 -30.039 0.729 1.00 26.57 ? 229 THR A N 1 ATOM 1626 C CA . THR A 1 211 ? -11.360 -29.171 0.732 1.00 22.52 ? 229 THR A CA 1 ATOM 1627 C C . THR A 1 211 ? -11.625 -28.725 -0.705 1.00 26.53 ? 229 THR A C 1 ATOM 1628 O O . THR A 1 211 ? -10.722 -28.237 -1.384 1.00 23.80 ? 229 THR A O 1 ATOM 1629 C CB . THR A 1 211 ? -11.122 -27.951 1.627 1.00 24.42 ? 229 THR A CB 1 ATOM 1630 O OG1 . THR A 1 211 ? -10.845 -28.411 2.954 1.00 23.61 ? 229 THR A OG1 1 ATOM 1631 C CG2 . THR A 1 211 ? -12.353 -27.034 1.650 1.00 26.75 ? 229 THR A CG2 1 ATOM 1632 N N . LYS A 1 212 ? -12.859 -28.897 -1.174 1.00 24.48 ? 230 LYS A N 1 ATOM 1633 C CA . LYS A 1 212 ? -13.196 -28.529 -2.549 1.00 23.33 ? 230 LYS A CA 1 ATOM 1634 C C . LYS A 1 212 ? -13.376 -27.024 -2.709 1.00 27.66 ? 230 LYS A C 1 ATOM 1635 O O . LYS A 1 212 ? -14.444 -26.478 -2.426 1.00 27.25 ? 230 LYS A O 1 ATOM 1636 C CB . LYS A 1 212 ? -14.466 -29.267 -2.991 1.00 28.87 ? 230 LYS A CB 1 ATOM 1637 C CG . LYS A 1 212 ? -14.792 -29.090 -4.465 1.00 29.98 ? 230 LYS A CG 1 ATOM 1638 C CD . LYS A 1 212 ? -16.020 -29.898 -4.874 1.00 33.66 ? 230 LYS A CD 1 ATOM 1639 C CE . LYS A 1 212 ? -16.307 -29.718 -6.363 1.00 41.96 ? 230 LYS A CE 1 ATOM 1640 N NZ . LYS A 1 212 ? -17.496 -30.502 -6.818 1.00 40.28 ? 230 LYS A NZ 1 ATOM 1641 N N . VAL A 1 213 ? -12.332 -26.360 -3.197 1.00 23.37 ? 231 VAL A N 1 ATOM 1642 C CA . VAL A 1 213 ? -12.344 -24.910 -3.353 1.00 25.72 ? 231 VAL A CA 1 ATOM 1643 C C . VAL A 1 213 ? -13.499 -24.324 -4.168 1.00 30.14 ? 231 VAL A C 1 ATOM 1644 O O . VAL A 1 213 ? -14.087 -23.313 -3.774 1.00 24.94 ? 231 VAL A O 1 ATOM 1645 C CB . VAL A 1 213 ? -11.007 -24.417 -3.958 1.00 22.68 ? 231 VAL A CB 1 ATOM 1646 C CG1 . VAL A 1 213 ? -11.021 -22.893 -4.109 1.00 23.12 ? 231 VAL A CG1 1 ATOM 1647 C CG2 . VAL A 1 213 ? -9.855 -24.837 -3.045 1.00 22.97 ? 231 VAL A CG2 1 ATOM 1648 N N . PHE A 1 214 ? -13.817 -24.952 -5.296 1.00 27.35 ? 232 PHE A N 1 ATOM 1649 C CA . PHE A 1 214 ? -14.893 -24.473 -6.167 1.00 24.14 ? 232 PHE A CA 1 ATOM 1650 C C . PHE A 1 214 ? -16.150 -24.066 -5.402 1.00 24.95 ? 232 PHE A C 1 ATOM 1651 O O . PHE A 1 214 ? -16.711 -22.998 -5.650 1.00 26.86 ? 232 PHE A O 1 ATOM 1652 C CB . PHE A 1 214 ? -15.262 -25.541 -7.204 1.00 29.85 ? 232 PHE A CB 1 ATOM 1653 C CG . PHE A 1 214 ? -16.324 -25.096 -8.178 1.00 30.70 ? 232 PHE A CG 1 ATOM 1654 C CD1 . PHE A 1 214 ? -16.036 -24.148 -9.156 1.00 30.30 ? 232 PHE A CD1 1 ATOM 1655 C CD2 . PHE A 1 214 ? -17.610 -25.612 -8.105 1.00 31.91 ? 232 PHE A CD2 1 ATOM 1656 C CE1 . PHE A 1 214 ? -17.021 -23.716 -10.053 1.00 36.83 ? 232 PHE A CE1 1 ATOM 1657 C CE2 . PHE A 1 214 ? -18.607 -25.189 -8.996 1.00 39.67 ? 232 PHE A CE2 1 ATOM 1658 C CZ . PHE A 1 214 ? -18.307 -24.238 -9.971 1.00 34.98 ? 232 PHE A CZ 1 ATOM 1659 N N . ASP A 1 215 ? -16.590 -24.912 -4.476 1.00 27.42 ? 233 ASP A N 1 ATOM 1660 C CA . ASP A 1 215 ? -17.786 -24.615 -3.689 1.00 33.08 ? 233 ASP A CA 1 ATOM 1661 C C . ASP A 1 215 ? -17.666 -23.337 -2.867 1.00 34.37 ? 233 ASP A C 1 ATOM 1662 O O . ASP A 1 215 ? -18.669 -22.677 -2.596 1.00 31.99 ? 233 ASP A O 1 ATOM 1663 C CB . ASP A 1 215 ? -18.111 -25.771 -2.743 1.00 30.48 ? 233 ASP A CB 1 ATOM 1664 C CG . ASP A 1 215 ? -18.517 -27.027 -3.475 1.00 33.77 ? 233 ASP A CG 1 ATOM 1665 O OD1 . ASP A 1 215 ? -18.490 -27.019 -4.722 1.00 35.44 ? 233 ASP A OD1 1 ATOM 1666 O OD2 . ASP A 1 215 ? -18.863 -28.019 -2.800 1.00 34.07 ? 233 ASP A OD2 1 ATOM 1667 N N . TYR A 1 216 ? -16.442 -22.991 -2.473 1.00 28.32 ? 234 TYR A N 1 ATOM 1668 C CA . TYR A 1 216 ? -16.208 -21.806 -1.654 1.00 27.94 ? 234 TYR A CA 1 ATOM 1669 C C . TYR A 1 216 ? -15.842 -20.546 -2.435 1.00 26.53 ? 234 TYR A C 1 ATOM 1670 O O . TYR A 1 216 ? -15.574 -19.500 -1.836 1.00 24.98 ? 234 TYR A O 1 ATOM 1671 C CB . TYR A 1 216 ? -15.107 -22.089 -0.616 1.00 21.94 ? 234 TYR A CB 1 ATOM 1672 C CG . TYR A 1 216 ? -15.459 -23.168 0.375 1.00 27.01 ? 234 TYR A CG 1 ATOM 1673 C CD1 . TYR A 1 216 ? -15.263 -24.518 0.076 1.00 20.70 ? 234 TYR A CD1 1 ATOM 1674 C CD2 . TYR A 1 216 ? -16.011 -22.841 1.614 1.00 26.83 ? 234 TYR A CD2 1 ATOM 1675 C CE1 . TYR A 1 216 ? -15.609 -25.514 0.991 1.00 20.82 ? 234 TYR A CE1 1 ATOM 1676 C CE2 . TYR A 1 216 ? -16.361 -23.823 2.532 1.00 25.85 ? 234 TYR A CE2 1 ATOM 1677 C CZ . TYR A 1 216 ? -16.162 -25.154 2.222 1.00 25.88 ? 234 TYR A CZ 1 ATOM 1678 O OH . TYR A 1 216 ? -16.518 -26.121 3.141 1.00 24.13 ? 234 TYR A OH 1 ATOM 1679 N N . ASN A 1 217 ? -15.850 -20.633 -3.763 1.00 26.21 ? 235 ASN A N 1 ATOM 1680 C CA . ASN A 1 217 ? -15.494 -19.485 -4.600 1.00 27.42 ? 235 ASN A CA 1 ATOM 1681 C C . ASN A 1 217 ? -16.210 -18.187 -4.242 1.00 29.19 ? 235 ASN A C 1 ATOM 1682 O O . ASN A 1 217 ? -15.571 -17.151 -4.060 1.00 29.74 ? 235 ASN A O 1 ATOM 1683 C CB . ASN A 1 217 ? -15.745 -19.791 -6.083 1.00 29.11 ? 235 ASN A CB 1 ATOM 1684 C CG . ASN A 1 217 ? -14.611 -20.571 -6.718 1.00 36.79 ? 235 ASN A CG 1 ATOM 1685 O OD1 . ASN A 1 217 ? -13.555 -20.756 -6.113 1.00 33.62 ? 235 ASN A OD1 1 ATOM 1686 N ND2 . ASN A 1 217 ? -14.819 -21.022 -7.949 1.00 38.04 ? 235 ASN A ND2 1 ATOM 1687 N N . ASN A 1 218 ? -17.535 -18.236 -4.151 1.00 30.45 ? 236 ASN A N 1 ATOM 1688 C CA . ASN A 1 218 ? -18.292 -17.034 -3.831 1.00 32.95 ? 236 ASN A CA 1 ATOM 1689 C C . ASN A 1 218 ? -17.961 -16.503 -2.435 1.00 29.55 ? 236 ASN A C 1 ATOM 1690 O O . ASN A 1 218 ? -17.837 -15.293 -2.240 1.00 31.50 ? 236 ASN A O 1 ATOM 1691 C CB . ASN A 1 218 ? -19.795 -17.303 -3.977 1.00 35.33 ? 236 ASN A CB 1 ATOM 1692 C CG . ASN A 1 218 ? -20.197 -17.574 -5.422 1.00 42.10 ? 236 ASN A CG 1 ATOM 1693 O OD1 . ASN A 1 218 ? -19.558 -17.083 -6.355 1.00 45.97 ? 236 ASN A OD1 1 ATOM 1694 N ND2 . ASN A 1 218 ? -21.262 -18.343 -5.612 1.00 41.19 ? 236 ASN A ND2 1 ATOM 1695 N N . TRP A 1 219 ? -17.810 -17.403 -1.470 1.00 27.73 ? 237 TRP A N 1 ATOM 1696 C CA . TRP A 1 219 ? -17.469 -16.997 -0.110 1.00 27.36 ? 237 TRP A CA 1 ATOM 1697 C C . TRP A 1 219 ? -16.096 -16.327 -0.120 1.00 27.77 ? 237 TRP A C 1 ATOM 1698 O O . TRP A 1 219 ? -15.903 -15.267 0.480 1.00 28.56 ? 237 TRP A O 1 ATOM 1699 C CB . TRP A 1 219 ? -17.450 -18.217 0.821 1.00 26.92 ? 237 TRP A CB 1 ATOM 1700 C CG . TRP A 1 219 ? -17.023 -17.897 2.226 1.00 29.39 ? 237 TRP A CG 1 ATOM 1701 C CD1 . TRP A 1 219 ? -17.785 -17.324 3.210 1.00 28.69 ? 237 TRP A CD1 1 ATOM 1702 C CD2 . TRP A 1 219 ? -15.724 -18.104 2.793 1.00 30.69 ? 237 TRP A CD2 1 ATOM 1703 N NE1 . TRP A 1 219 ? -17.038 -17.164 4.355 1.00 29.89 ? 237 TRP A NE1 1 ATOM 1704 C CE2 . TRP A 1 219 ? -15.770 -17.633 4.126 1.00 32.27 ? 237 TRP A CE2 1 ATOM 1705 C CE3 . TRP A 1 219 ? -14.523 -18.641 2.303 1.00 28.41 ? 237 TRP A CE3 1 ATOM 1706 C CZ2 . TRP A 1 219 ? -14.659 -17.683 4.977 1.00 29.58 ? 237 TRP A CZ2 1 ATOM 1707 C CZ3 . TRP A 1 219 ? -13.419 -18.690 3.149 1.00 32.29 ? 237 TRP A CZ3 1 ATOM 1708 C CH2 . TRP A 1 219 ? -13.497 -18.212 4.474 1.00 26.08 ? 237 TRP A CH2 1 ATOM 1709 N N . ILE A 1 220 ? -15.142 -16.939 -0.815 1.00 25.81 ? 238 ILE A N 1 ATOM 1710 C CA . ILE A 1 220 ? -13.796 -16.379 -0.890 1.00 25.12 ? 238 ILE A CA 1 ATOM 1711 C C . ILE A 1 220 ? -13.810 -14.980 -1.503 1.00 27.79 ? 238 ILE A C 1 ATOM 1712 O O . ILE A 1 220 ? -13.269 -14.032 -0.937 1.00 27.02 ? 238 ILE A O 1 ATOM 1713 C CB . ILE A 1 220 ? -12.865 -17.288 -1.727 1.00 26.80 ? 238 ILE A CB 1 ATOM 1714 C CG1 . ILE A 1 220 ? -12.658 -18.621 -0.995 1.00 25.38 ? 238 ILE A CG1 1 ATOM 1715 C CG2 . ILE A 1 220 ? -11.543 -16.567 -2.010 1.00 23.74 ? 238 ILE A CG2 1 ATOM 1716 C CD1 . ILE A 1 220 ? -12.101 -19.746 -1.876 1.00 23.69 ? 238 ILE A CD1 1 ATOM 1717 N N . GLN A 1 221 ? -14.439 -14.851 -2.661 1.00 32.40 ? 239 GLN A N 1 ATOM 1718 C CA . GLN A 1 221 ? -14.498 -13.567 -3.339 1.00 34.19 ? 239 GLN A CA 1 ATOM 1719 C C . GLN A 1 221 ? -15.218 -12.491 -2.524 1.00 32.74 ? 239 GLN A C 1 ATOM 1720 O O . GLN A 1 221 ? -14.806 -11.328 -2.523 1.00 36.01 ? 239 GLN A O 1 ATOM 1721 C CB . GLN A 1 221 ? -15.144 -13.755 -4.715 1.00 37.85 ? 239 GLN A CB 1 ATOM 1722 C CG . GLN A 1 221 ? -14.340 -14.719 -5.579 1.00 46.17 ? 239 GLN A CG 1 ATOM 1723 C CD . GLN A 1 221 ? -14.938 -14.954 -6.949 1.00 51.99 ? 239 GLN A CD 1 ATOM 1724 O OE1 . GLN A 1 221 ? -16.090 -15.368 -7.076 1.00 53.65 ? 239 GLN A OE1 1 ATOM 1725 N NE2 . GLN A 1 221 ? -14.149 -14.701 -7.986 1.00 55.50 ? 239 GLN A NE2 1 ATOM 1726 N N . SER A 1 222 ? -16.275 -12.878 -1.817 1.00 33.33 ? 240 SER A N 1 ATOM 1727 C CA . SER A 1 222 ? -17.013 -11.924 -0.995 1.00 38.40 ? 240 SER A CA 1 ATOM 1728 C C . SER A 1 222 ? -16.122 -11.426 0.140 1.00 36.74 ? 240 SER A C 1 ATOM 1729 O O . SER A 1 222 ? -16.039 -10.221 0.391 1.00 35.99 ? 240 SER A O 1 ATOM 1730 C CB . SER A 1 222 ? -18.272 -12.574 -0.415 1.00 39.69 ? 240 SER A CB 1 ATOM 1731 O OG . SER A 1 222 ? -19.116 -13.047 -1.450 1.00 47.28 ? 240 SER A OG 1 ATOM 1732 N N . ILE A 1 223 ? -15.449 -12.352 0.820 1.00 35.31 ? 241 ILE A N 1 ATOM 1733 C CA . ILE A 1 223 ? -14.566 -11.982 1.923 1.00 31.35 ? 241 ILE A CA 1 ATOM 1734 C C . ILE A 1 223 ? -13.490 -11.026 1.426 1.00 34.01 ? 241 ILE A C 1 ATOM 1735 O O . ILE A 1 223 ? -13.268 -9.967 2.012 1.00 33.72 ? 241 ILE A O 1 ATOM 1736 C CB . ILE A 1 223 ? -13.878 -13.227 2.552 1.00 28.48 ? 241 ILE A CB 1 ATOM 1737 C CG1 . ILE A 1 223 ? -14.911 -14.082 3.289 1.00 30.20 ? 241 ILE A CG1 1 ATOM 1738 C CG2 . ILE A 1 223 ? -12.781 -12.784 3.519 1.00 28.19 ? 241 ILE A CG2 1 ATOM 1739 C CD1 . ILE A 1 223 ? -15.465 -13.429 4.546 1.00 31.51 ? 241 ILE A CD1 1 ATOM 1740 N N . ILE A 1 224 ? -12.825 -11.399 0.336 1.00 33.97 ? 242 ILE A N 1 ATOM 1741 C CA . ILE A 1 224 ? -11.769 -10.563 -0.224 1.00 37.99 ? 242 ILE A CA 1 ATOM 1742 C C . ILE A 1 224 ? -12.301 -9.179 -0.578 1.00 42.28 ? 242 ILE A C 1 ATOM 1743 O O . ILE A 1 224 ? -11.589 -8.183 -0.451 1.00 42.56 ? 242 ILE A O 1 ATOM 1744 C CB . ILE A 1 224 ? -11.149 -11.220 -1.483 1.00 39.13 ? 242 ILE A CB 1 ATOM 1745 C CG1 . ILE A 1 224 ? -10.345 -12.459 -1.071 1.00 35.77 ? 242 ILE A CG1 1 ATOM 1746 C CG2 . ILE A 1 224 ? -10.255 -10.224 -2.215 1.00 40.39 ? 242 ILE A CG2 1 ATOM 1747 C CD1 . ILE A 1 224 ? -9.820 -13.277 -2.239 1.00 43.52 ? 242 ILE A CD1 1 ATOM 1748 N N . ALA A 1 225 ? -13.559 -9.124 -1.009 1.00 44.32 ? 243 ALA A N 1 ATOM 1749 C CA . ALA A 1 225 ? -14.192 -7.864 -1.382 1.00 44.49 ? 243 ALA A CA 1 ATOM 1750 C C . ALA A 1 225 ? -14.474 -6.977 -0.169 1.00 44.67 ? 243 ALA A C 1 ATOM 1751 O O . ALA A 1 225 ? -14.652 -5.766 -0.309 1.00 46.76 ? 243 ALA A O 1 ATOM 1752 C CB . ALA A 1 225 ? -15.486 -8.137 -2.144 1.00 45.41 ? 243 ALA A CB 1 ATOM 1753 N N . GLY A 1 226 ? -14.524 -7.579 1.016 1.00 47.03 ? 244 GLY A N 1 ATOM 1754 C CA . GLY A 1 226 ? -14.773 -6.806 2.221 1.00 43.96 ? 244 GLY A CA 1 ATOM 1755 C C . GLY A 1 226 ? -16.013 -7.204 3.001 1.00 44.79 ? 244 GLY A C 1 ATOM 1756 O O . GLY A 1 226 ? -16.230 -6.724 4.114 1.00 44.41 ? 244 GLY A O 1 ATOM 1757 N N . ASN A 1 227 ? -16.830 -8.079 2.424 1.00 42.95 ? 245 ASN A N 1 ATOM 1758 C CA . ASN A 1 227 ? -18.046 -8.529 3.087 1.00 44.54 ? 245 ASN A CA 1 ATOM 1759 C C . ASN A 1 227 ? -17.666 -9.285 4.354 1.00 46.10 ? 245 ASN A C 1 ATOM 1760 O O . ASN A 1 227 ? -16.721 -10.076 4.352 1.00 46.86 ? 245 ASN A O 1 ATOM 1761 C CB . ASN A 1 227 ? -18.849 -9.439 2.157 1.00 43.56 ? 245 ASN A CB 1 ATOM 1762 C CG . ASN A 1 227 ? -20.281 -9.621 2.617 1.00 45.37 ? 245 ASN A CG 1 ATOM 1763 O OD1 . ASN A 1 227 ? -20.535 -10.081 3.728 1.00 44.16 ? 245 ASN A OD1 1 ATOM 1764 N ND2 . ASN A 1 227 ? -21.220 -9.254 1.752 1.00 49.51 ? 245 ASN A ND2 1 ATOM 1765 N N . ARG A 1 228 A -18.400 -9.045 5.436 1.00 45.27 ? 245 ARG A N 1 ATOM 1766 C CA . ARG A 1 228 A -18.105 -9.701 6.702 1.00 46.62 ? 245 ARG A CA 1 ATOM 1767 C C . ARG A 1 228 A -19.284 -10.438 7.317 1.00 46.87 ? 245 ARG A C 1 ATOM 1768 O O . ARG A 1 228 A -19.211 -10.880 8.465 1.00 50.96 ? 245 ARG A O 1 ATOM 1769 C CB . ARG A 1 228 A -17.556 -8.679 7.698 1.00 48.31 ? 245 ARG A CB 1 ATOM 1770 C CG . ARG A 1 228 A -16.209 -8.107 7.294 1.00 47.10 ? 245 ARG A CG 1 ATOM 1771 C CD . ARG A 1 228 A -15.100 -9.147 7.416 1.00 45.87 ? 245 ARG A CD 1 ATOM 1772 N NE . ARG A 1 228 A -13.823 -8.614 6.952 1.00 45.13 ? 245 ARG A NE 1 ATOM 1773 C CZ . ARG A 1 228 A -13.415 -8.642 5.687 1.00 42.85 ? 245 ARG A CZ 1 ATOM 1774 N NH1 . ARG A 1 228 A -14.178 -9.190 4.750 1.00 42.59 ? 245 ARG A NH1 1 ATOM 1775 N NH2 . ARG A 1 228 A -12.256 -8.097 5.355 1.00 40.14 ? 245 ARG A NH2 1 ATOM 1776 N N . THR A 1 229 B -20.371 -10.571 6.561 1.00 45.00 ? 245 THR A N 1 ATOM 1777 C CA . THR A 1 229 B -21.543 -11.287 7.054 1.00 42.27 ? 245 THR A CA 1 ATOM 1778 C C . THR A 1 229 B -21.854 -12.474 6.148 1.00 38.47 ? 245 THR A C 1 ATOM 1779 O O . THR A 1 229 B -22.697 -13.310 6.468 1.00 38.59 ? 245 THR A O 1 ATOM 1780 C CB . THR A 1 229 B -22.783 -10.373 7.135 1.00 44.32 ? 245 THR A CB 1 ATOM 1781 O OG1 . THR A 1 229 B -23.074 -9.835 5.839 1.00 47.10 ? 245 THR A OG1 1 ATOM 1782 C CG2 . THR A 1 229 B -22.534 -9.234 8.114 1.00 48.44 ? 245 THR A CG2 1 ATOM 1783 N N . VAL A 1 230 C -21.166 -12.540 5.014 1.00 37.88 ? 245 VAL A N 1 ATOM 1784 C CA . VAL A 1 230 C -21.353 -13.637 4.068 1.00 36.76 ? 245 VAL A CA 1 ATOM 1785 C C . VAL A 1 230 C -21.013 -14.942 4.790 1.00 38.83 ? 245 VAL A C 1 ATOM 1786 O O . VAL A 1 230 C -20.091 -14.981 5.607 1.00 42.48 ? 245 VAL A O 1 ATOM 1787 C CB . VAL A 1 230 C -20.435 -13.452 2.835 1.00 35.97 ? 245 VAL A CB 1 ATOM 1788 C CG1 . VAL A 1 230 C -18.976 -13.387 3.276 1.00 35.85 ? 245 VAL A CG1 1 ATOM 1789 C CG2 . VAL A 1 230 C -20.650 -14.578 1.842 1.00 34.43 ? 245 VAL A CG2 1 ATOM 1790 N N . THR A 1 231 D -21.766 -16.001 4.514 1.00 34.07 ? 245 THR A N 1 ATOM 1791 C CA . THR A 1 231 D -21.516 -17.281 5.165 1.00 37.56 ? 245 THR A CA 1 ATOM 1792 C C . THR A 1 231 D -20.967 -18.288 4.160 1.00 36.69 ? 245 THR A C 1 ATOM 1793 O O . THR A 1 231 D -21.106 -18.110 2.952 1.00 33.72 ? 245 THR A O 1 ATOM 1794 C CB . THR A 1 231 D -22.809 -17.865 5.786 1.00 40.82 ? 245 THR A CB 1 ATOM 1795 O OG1 . THR A 1 231 D -23.729 -18.212 4.745 1.00 40.34 ? 245 THR A OG1 1 ATOM 1796 C CG2 . THR A 1 231 D -23.470 -16.848 6.716 1.00 43.01 ? 245 THR A CG2 1 ATOM 1797 N N . CYS A 1 232 E -20.330 -19.339 4.661 1.00 33.60 ? 245 CYS A N 1 ATOM 1798 C CA . CYS A 1 232 E -19.794 -20.365 3.780 1.00 31.30 ? 245 CYS A CA 1 ATOM 1799 C C . CYS A 1 232 E -20.935 -21.185 3.220 1.00 33.77 ? 245 CYS A C 1 ATOM 1800 O O . CYS A 1 232 E -22.032 -21.201 3.781 1.00 34.88 ? 245 CYS A O 1 ATOM 1801 C CB . CYS A 1 232 E -18.856 -21.304 4.541 1.00 25.91 ? 245 CYS A CB 1 ATOM 1802 S SG . CYS A 1 232 E -17.221 -20.586 4.860 1.00 28.63 ? 245 CYS A SG 1 ATOM 1803 N N . PRO A 1 233 F -20.692 -21.883 2.102 1.00 37.29 ? 245 PRO A N 1 ATOM 1804 C CA . PRO A 1 233 F -21.758 -22.702 1.524 1.00 39.76 ? 245 PRO A CA 1 ATOM 1805 C C . PRO A 1 233 F -22.246 -23.676 2.590 1.00 43.87 ? 245 PRO A C 1 ATOM 1806 O O . PRO A 1 233 F -21.445 -24.258 3.327 1.00 44.61 ? 245 PRO A O 1 ATOM 1807 C CB . PRO A 1 233 F -21.065 -23.397 0.352 1.00 40.07 ? 245 PRO A CB 1 ATOM 1808 C CG . PRO A 1 233 F -19.606 -23.448 0.788 1.00 33.90 ? 245 PRO A CG 1 ATOM 1809 C CD . PRO A 1 233 F -19.423 -22.074 1.376 1.00 34.31 ? 245 PRO A CD 1 ATOM 1810 N N . PRO A 1 234 G -23.571 -23.858 2.690 1.00 44.78 ? 245 PRO A N 1 ATOM 1811 C CA . PRO A 1 234 G -24.166 -24.762 3.677 1.00 46.51 ? 245 PRO A CA 1 ATOM 1812 C C . PRO A 1 234 G -23.542 -26.148 3.644 1.00 47.51 ? 245 PRO A C 1 ATOM 1813 O O . PRO A 1 234 G -23.328 -26.719 4.735 1.00 50.75 ? 245 PRO A O 1 ATOM 1814 C CB . PRO A 1 234 G -25.644 -24.768 3.291 1.00 47.90 ? 245 PRO A CB 1 ATOM 1815 C CG . PRO A 1 234 G -25.601 -24.551 1.808 1.00 46.85 ? 245 PRO A CG 1 ATOM 1816 C CD . PRO A 1 234 G -24.571 -23.453 1.687 1.00 44.90 ? 245 PRO A CD 1 ATOM 1817 O OXT . PRO A 1 234 G -23.287 -26.643 2.528 1.00 43.39 ? 245 PRO A OXT 1 HETATM 1818 C C1 . NAG B 2 . ? -22.602 -9.635 1.965 1.00 54.55 ? 301 NAG A C1 1 HETATM 1819 C C2 . NAG B 2 . ? -23.519 -8.494 1.506 1.00 59.06 ? 301 NAG A C2 1 HETATM 1820 C C3 . NAG B 2 . ? -24.990 -8.896 1.625 1.00 60.28 ? 301 NAG A C3 1 HETATM 1821 C C4 . NAG B 2 . ? -25.240 -10.221 0.912 1.00 59.02 ? 301 NAG A C4 1 HETATM 1822 C C5 . NAG B 2 . ? -24.264 -11.283 1.430 1.00 59.62 ? 301 NAG A C5 1 HETATM 1823 C C6 . NAG B 2 . ? -24.410 -12.593 0.685 1.00 55.97 ? 301 NAG A C6 1 HETATM 1824 C C7 . NAG B 2 . ? -22.601 -6.289 1.798 1.00 61.95 ? 301 NAG A C7 1 HETATM 1825 C C8 . NAG B 2 . ? -21.504 -5.682 2.658 1.00 62.61 ? 301 NAG A C8 1 HETATM 1826 N N2 . NAG B 2 . ? -23.278 -7.311 2.308 1.00 57.67 ? 301 NAG A N2 1 HETATM 1827 O O3 . NAG B 2 . ? -25.809 -7.887 1.051 1.00 66.82 ? 301 NAG A O3 1 HETATM 1828 O O4 . NAG B 2 . ? -26.577 -10.641 1.143 1.00 61.51 ? 301 NAG A O4 1 HETATM 1829 O O5 . NAG B 2 . ? -22.901 -10.838 1.244 1.00 54.76 ? 301 NAG A O5 1 HETATM 1830 O O6 . NAG B 2 . ? -24.119 -12.431 -0.696 1.00 57.11 ? 301 NAG A O6 1 HETATM 1831 O O7 . NAG B 2 . ? -22.823 -5.836 0.676 1.00 62.51 ? 301 NAG A O7 1 HETATM 1832 O O . HOH C 3 . ? 3.946 -27.876 3.155 1.00 21.66 ? 1 HOH A O 1 HETATM 1833 O O . HOH C 3 . ? -15.477 -28.582 2.924 1.00 26.05 ? 2 HOH A O 1 HETATM 1834 O O . HOH C 3 . ? -1.734 -14.851 13.707 1.00 23.51 ? 3 HOH A O 1 HETATM 1835 O O . HOH C 3 . ? 7.339 -32.850 0.765 1.00 23.50 ? 4 HOH A O 1 HETATM 1836 O O . HOH C 3 . ? -13.142 -29.381 4.398 1.00 25.09 ? 5 HOH A O 1 HETATM 1837 O O . HOH C 3 . ? -12.632 -27.386 -6.366 1.00 24.96 ? 6 HOH A O 1 HETATM 1838 O O . HOH C 3 . ? 8.234 -19.973 -5.224 1.00 24.63 ? 7 HOH A O 1 HETATM 1839 O O . HOH C 3 . ? 8.078 -21.506 -7.653 1.00 26.47 ? 8 HOH A O 1 HETATM 1840 O O . HOH C 3 . ? 5.014 -18.026 -2.730 1.00 22.95 ? 9 HOH A O 1 HETATM 1841 O O . HOH C 3 . ? 0.564 -30.144 8.011 1.00 29.21 ? 10 HOH A O 1 HETATM 1842 O O . HOH C 3 . ? 8.572 -37.038 -2.472 1.00 28.99 ? 11 HOH A O 1 HETATM 1843 O O . HOH C 3 . ? -3.378 -37.751 -1.677 1.00 23.98 ? 12 HOH A O 1 HETATM 1844 O O . HOH C 3 . ? 6.523 -20.051 -13.321 1.00 26.47 ? 13 HOH A O 1 HETATM 1845 O O . HOH C 3 . ? 14.149 -19.954 -0.908 1.00 28.62 ? 14 HOH A O 1 HETATM 1846 O O . HOH C 3 . ? 7.035 -21.122 -2.953 1.00 23.86 ? 15 HOH A O 1 HETATM 1847 O O . HOH C 3 . ? 2.254 -26.541 15.588 1.00 47.81 ? 61 HOH A O 1 HETATM 1848 O O . HOH C 3 . ? -24.066 -15.246 2.784 1.00 46.58 ? 126 HOH A O 1 HETATM 1849 O O . HOH C 3 . ? 7.152 -29.678 7.545 1.00 52.12 ? 130 HOH A O 1 HETATM 1850 O O . HOH C 3 . ? 2.602 -24.265 16.632 1.00 55.33 ? 150 HOH A O 1 HETATM 1851 O O . HOH C 3 . ? -10.038 -47.912 1.703 1.00 47.06 ? 151 HOH A O 1 HETATM 1852 O O . HOH C 3 . ? 10.772 -20.934 -5.525 1.00 28.04 ? 246 HOH A O 1 HETATM 1853 O O . HOH C 3 . ? -6.565 -16.036 -7.432 1.00 30.84 ? 247 HOH A O 1 HETATM 1854 O O . HOH C 3 . ? 6.979 -19.797 -0.079 1.00 20.63 ? 248 HOH A O 1 HETATM 1855 O O . HOH C 3 . ? -14.674 -22.676 11.853 1.00 29.66 ? 249 HOH A O 1 HETATM 1856 O O . HOH C 3 . ? -13.368 -22.420 8.278 1.00 26.24 ? 250 HOH A O 1 HETATM 1857 O O . HOH C 3 . ? -0.486 -29.981 -2.113 1.00 22.63 ? 251 HOH A O 1 HETATM 1858 O O . HOH C 3 . ? -13.053 -24.326 10.242 1.00 25.97 ? 252 HOH A O 1 HETATM 1859 O O . HOH C 3 . ? -18.152 -29.765 3.876 1.00 27.26 ? 253 HOH A O 1 HETATM 1860 O O . HOH C 3 . ? 18.253 -28.857 -4.608 1.00 30.56 ? 254 HOH A O 1 HETATM 1861 O O . HOH C 3 . ? -19.123 -20.095 -1.571 1.00 29.95 ? 255 HOH A O 1 HETATM 1862 O O . HOH C 3 . ? -2.916 -41.608 -2.137 1.00 28.68 ? 256 HOH A O 1 HETATM 1863 O O . HOH C 3 . ? -14.110 -15.542 10.617 1.00 30.80 ? 257 HOH A O 1 HETATM 1864 O O . HOH C 3 . ? -4.509 -15.829 16.275 1.00 32.55 ? 258 HOH A O 1 HETATM 1865 O O . HOH C 3 . ? -12.912 -31.675 5.841 1.00 30.47 ? 259 HOH A O 1 HETATM 1866 O O . HOH C 3 . ? -19.605 -18.749 7.727 1.00 31.74 ? 260 HOH A O 1 HETATM 1867 O O . HOH C 3 . ? 5.286 -23.853 13.061 1.00 28.09 ? 261 HOH A O 1 HETATM 1868 O O . HOH C 3 . ? -13.181 -29.381 -8.285 1.00 27.84 ? 262 HOH A O 1 HETATM 1869 O O . HOH C 3 . ? -18.204 -42.008 -4.360 1.00 31.51 ? 263 HOH A O 1 HETATM 1870 O O . HOH C 3 . ? -18.808 -26.731 -12.523 1.00 35.28 ? 264 HOH A O 1 HETATM 1871 O O . HOH C 3 . ? -19.195 -20.493 -4.904 1.00 39.25 ? 265 HOH A O 1 HETATM 1872 O O . HOH C 3 . ? -3.630 -31.194 -13.788 1.00 37.30 ? 266 HOH A O 1 HETATM 1873 O O . HOH C 3 . ? 10.167 -29.441 5.833 1.00 38.45 ? 267 HOH A O 1 HETATM 1874 O O . HOH C 3 . ? 14.869 -19.735 2.795 1.00 31.56 ? 268 HOH A O 1 HETATM 1875 O O . HOH C 3 . ? -19.717 -29.538 6.314 1.00 31.84 ? 269 HOH A O 1 HETATM 1876 O O . HOH C 3 . ? -12.043 -12.386 11.503 1.00 34.01 ? 270 HOH A O 1 HETATM 1877 O O . HOH C 3 . ? 16.424 -16.001 -6.512 1.00 38.56 ? 271 HOH A O 1 HETATM 1878 O O . HOH C 3 . ? -18.775 -21.972 -7.087 1.00 39.98 ? 272 HOH A O 1 HETATM 1879 O O . HOH C 3 . ? -1.969 -43.402 3.843 1.00 31.86 ? 273 HOH A O 1 HETATM 1880 O O . HOH C 3 . ? -17.239 -39.555 -6.167 1.00 38.50 ? 274 HOH A O 1 HETATM 1881 O O . HOH C 3 . ? 8.200 -10.230 -5.328 1.00 32.77 ? 275 HOH A O 1 HETATM 1882 O O . HOH C 3 . ? -13.709 -37.130 -4.607 1.00 26.96 ? 276 HOH A O 1 HETATM 1883 O O . HOH C 3 . ? -9.534 -14.504 13.032 1.00 35.09 ? 277 HOH A O 1 HETATM 1884 O O . HOH C 3 . ? -16.212 -32.528 5.714 1.00 39.25 ? 278 HOH A O 1 HETATM 1885 O O . HOH C 3 . ? 4.830 -13.827 -11.236 1.00 30.06 ? 279 HOH A O 1 HETATM 1886 O O . HOH C 3 . ? 10.217 -15.006 10.618 1.00 36.14 ? 280 HOH A O 1 HETATM 1887 O O . HOH C 3 . ? -3.847 -10.921 -9.040 1.00 35.81 ? 281 HOH A O 1 HETATM 1888 O O . HOH C 3 . ? 14.291 -19.398 -10.312 1.00 41.63 ? 282 HOH A O 1 HETATM 1889 O O . HOH C 3 . ? 16.952 -19.103 4.458 1.00 44.16 ? 283 HOH A O 1 HETATM 1890 O O . HOH C 3 . ? -1.303 -33.551 5.265 1.00 36.70 ? 284 HOH A O 1 HETATM 1891 O O . HOH C 3 . ? -24.017 -37.363 -1.690 1.00 42.64 ? 285 HOH A O 1 HETATM 1892 O O . HOH C 3 . ? 3.204 -26.727 -9.656 1.00 35.82 ? 286 HOH A O 1 HETATM 1893 O O . HOH C 3 . ? -3.558 -41.042 3.275 1.00 30.23 ? 287 HOH A O 1 HETATM 1894 O O . HOH C 3 . ? 13.669 -34.404 8.966 1.00 42.94 ? 288 HOH A O 1 HETATM 1895 O O . HOH C 3 . ? 10.185 -9.935 4.051 1.00 36.42 ? 289 HOH A O 1 HETATM 1896 O O . HOH C 3 . ? 5.606 -28.974 -13.034 1.00 40.23 ? 290 HOH A O 1 HETATM 1897 O O . HOH C 3 . ? 7.702 -34.894 -9.106 1.00 37.87 ? 291 HOH A O 1 HETATM 1898 O O . HOH C 3 . ? 9.960 -18.403 13.881 1.00 44.04 ? 292 HOH A O 1 HETATM 1899 O O . HOH C 3 . ? 2.654 -7.197 -8.383 1.00 39.32 ? 293 HOH A O 1 HETATM 1900 O O . HOH C 3 . ? 9.483 -10.154 -3.084 1.00 41.11 ? 294 HOH A O 1 HETATM 1901 O O . HOH C 3 . ? -9.469 -11.109 11.564 1.00 39.03 ? 295 HOH A O 1 HETATM 1902 O O . HOH C 3 . ? 13.786 -35.315 -5.662 1.00 34.88 ? 296 HOH A O 1 HETATM 1903 O O . HOH C 3 . ? 9.425 -42.137 0.988 1.00 49.55 ? 297 HOH A O 1 HETATM 1904 O O . HOH C 3 . ? -7.092 -36.717 8.473 1.00 51.44 ? 298 HOH A O 1 HETATM 1905 O O . HOH C 3 . ? -3.855 -46.737 -8.382 1.00 40.34 ? 299 HOH A O 1 HETATM 1906 O O . HOH C 3 . ? 0.633 -18.948 -10.403 1.00 33.73 ? 300 HOH A O 1 HETATM 1907 O O . HOH C 3 . ? -6.932 -34.943 -15.902 1.00 42.55 ? 302 HOH A O 1 HETATM 1908 O O . HOH C 3 . ? -13.467 -10.403 -4.566 1.00 41.10 ? 303 HOH A O 1 HETATM 1909 O O . HOH C 3 . ? -14.154 -33.841 -14.066 1.00 45.12 ? 304 HOH A O 1 HETATM 1910 O O . HOH C 3 . ? -2.330 -43.264 0.112 1.00 29.76 ? 305 HOH A O 1 HETATM 1911 O O . HOH C 3 . ? 6.963 -17.467 -12.189 1.00 37.95 ? 306 HOH A O 1 HETATM 1912 O O . HOH C 3 . ? 15.836 -21.911 -2.868 1.00 36.62 ? 307 HOH A O 1 HETATM 1913 O O . HOH C 3 . ? -15.912 -30.767 16.717 1.00 39.27 ? 308 HOH A O 1 HETATM 1914 O O . HOH C 3 . ? 18.788 -26.437 0.529 1.00 36.76 ? 309 HOH A O 1 HETATM 1915 O O . HOH C 3 . ? -3.035 -35.153 3.658 1.00 30.96 ? 310 HOH A O 1 HETATM 1916 O O . HOH C 3 . ? -8.416 -20.547 -14.991 1.00 51.99 ? 311 HOH A O 1 HETATM 1917 O O . HOH C 3 . ? -11.541 -24.714 12.571 1.00 38.01 ? 312 HOH A O 1 HETATM 1918 O O . HOH C 3 . ? -19.568 -28.705 -6.306 1.00 42.97 ? 313 HOH A O 1 HETATM 1919 O O . HOH C 3 . ? 1.833 -5.047 -4.434 1.00 42.53 ? 314 HOH A O 1 HETATM 1920 O O . HOH C 3 . ? -17.144 -34.399 -3.750 1.00 43.38 ? 315 HOH A O 1 HETATM 1921 O O . HOH C 3 . ? -1.831 -28.512 12.358 1.00 36.68 ? 316 HOH A O 1 HETATM 1922 O O . HOH C 3 . ? -10.032 -31.409 8.308 1.00 42.12 ? 317 HOH A O 1 HETATM 1923 O O . HOH C 3 . ? -23.632 -25.897 7.229 1.00 58.43 ? 318 HOH A O 1 HETATM 1924 O O . HOH C 3 . ? -3.969 -8.233 -5.976 1.00 43.85 ? 319 HOH A O 1 HETATM 1925 O O . HOH C 3 . ? -18.505 -13.503 7.197 1.00 48.93 ? 320 HOH A O 1 HETATM 1926 O O . HOH C 3 . ? -15.868 -32.961 -7.794 1.00 36.63 ? 321 HOH A O 1 HETATM 1927 O O . HOH C 3 . ? -2.036 -28.153 -13.698 1.00 40.91 ? 322 HOH A O 1 HETATM 1928 O O . HOH C 3 . ? -3.523 -20.348 -11.759 1.00 42.86 ? 323 HOH A O 1 HETATM 1929 O O . HOH C 3 . ? -19.864 -40.741 -2.323 1.00 39.38 ? 324 HOH A O 1 HETATM 1930 O O . HOH C 3 . ? 9.855 -28.127 8.456 1.00 40.44 ? 325 HOH A O 1 HETATM 1931 O O . HOH C 3 . ? -6.795 -43.964 8.459 1.00 46.36 ? 326 HOH A O 1 HETATM 1932 O O . HOH C 3 . ? 13.486 -10.383 -0.823 1.00 45.99 ? 327 HOH A O 1 HETATM 1933 O O . HOH C 3 . ? 6.988 -8.642 -2.443 1.00 40.91 ? 328 HOH A O 1 HETATM 1934 O O . HOH C 3 . ? -12.238 -46.627 2.182 1.00 44.53 ? 329 HOH A O 1 HETATM 1935 O O . HOH C 3 . ? -21.179 -23.185 -3.449 1.00 43.41 ? 330 HOH A O 1 HETATM 1936 O O . HOH C 3 . ? -5.501 -13.103 -8.471 1.00 47.89 ? 331 HOH A O 1 HETATM 1937 O O . HOH C 3 . ? 2.764 -38.697 -13.181 1.00 47.30 ? 332 HOH A O 1 HETATM 1938 O O . HOH C 3 . ? 3.357 -33.440 -14.339 1.00 46.62 ? 333 HOH A O 1 HETATM 1939 O O . HOH C 3 . ? 12.851 -12.938 -8.417 1.00 36.75 ? 334 HOH A O 1 HETATM 1940 O O . HOH C 3 . ? 1.564 -28.328 1.107 1.00 34.01 ? 335 HOH A O 1 HETATM 1941 O O . HOH C 3 . ? -20.945 -25.767 -5.720 1.00 48.54 ? 336 HOH A O 1 HETATM 1942 O O . HOH C 3 . ? -18.055 -32.331 -5.074 1.00 57.69 ? 337 HOH A O 1 HETATM 1943 O O . HOH C 3 . ? -9.179 -23.592 13.235 1.00 37.18 ? 338 HOH A O 1 HETATM 1944 O O . HOH C 3 . ? 8.006 -33.127 -12.067 1.00 52.70 ? 339 HOH A O 1 HETATM 1945 O O . HOH C 3 . ? 4.148 -37.918 -10.541 1.00 45.68 ? 340 HOH A O 1 HETATM 1946 O O . HOH C 3 . ? 9.362 -39.312 -1.343 1.00 38.46 ? 341 HOH A O 1 HETATM 1947 O O . HOH C 3 . ? -21.303 -11.570 10.962 1.00 46.10 ? 342 HOH A O 1 HETATM 1948 O O . HOH C 3 . ? -11.350 -33.197 -15.019 1.00 58.14 ? 343 HOH A O 1 HETATM 1949 O O . HOH C 3 . ? -19.381 -30.445 -3.206 1.00 43.19 ? 344 HOH A O 1 HETATM 1950 O O . HOH C 3 . ? 5.685 -35.464 -10.984 1.00 53.49 ? 345 HOH A O 1 HETATM 1951 O O . HOH C 3 . ? -5.411 -19.977 16.950 1.00 46.33 ? 346 HOH A O 1 HETATM 1952 O O . HOH C 3 . ? -11.460 -7.436 2.716 1.00 47.61 ? 347 HOH A O 1 HETATM 1953 O O . HOH C 3 . ? -1.371 -38.115 6.215 1.00 51.63 ? 348 HOH A O 1 HETATM 1954 O O . HOH C 3 . ? -1.433 -2.974 3.547 1.00 54.52 ? 349 HOH A O 1 HETATM 1955 O O . HOH C 3 . ? -20.198 -6.844 5.637 1.00 47.21 ? 350 HOH A O 1 HETATM 1956 O O . HOH C 3 . ? 6.604 -43.857 -1.926 1.00 53.66 ? 351 HOH A O 1 HETATM 1957 O O . HOH C 3 . ? -14.630 -47.157 0.572 1.00 53.71 ? 352 HOH A O 1 HETATM 1958 O O . HOH C 3 . ? -17.839 -16.519 7.067 1.00 44.38 ? 353 HOH A O 1 HETATM 1959 O O . HOH C 3 . ? -1.939 -50.172 4.806 1.00 44.78 ? 354 HOH A O 1 HETATM 1960 O O . HOH C 3 . ? -19.185 -34.824 -1.727 1.00 39.52 ? 355 HOH A O 1 HETATM 1961 O O . HOH C 3 . ? 9.908 -40.578 -4.786 1.00 50.51 ? 356 HOH A O 1 HETATM 1962 O O . HOH C 3 . ? -8.893 -16.626 -9.296 1.00 48.20 ? 357 HOH A O 1 HETATM 1963 O O . HOH C 3 . ? 10.452 -20.854 8.557 1.00 55.98 ? 358 HOH A O 1 HETATM 1964 O O . HOH C 3 . ? 16.365 -32.614 -3.689 1.00 31.24 ? 359 HOH A O 1 HETATM 1965 O O . HOH C 3 . ? -15.849 -14.543 8.882 1.00 48.88 ? 360 HOH A O 1 HETATM 1966 O O . HOH C 3 . ? -9.003 -36.204 6.799 1.00 48.24 ? 361 HOH A O 1 HETATM 1967 O O . HOH C 3 . ? -17.443 -20.209 -9.183 1.00 41.41 ? 362 HOH A O 1 HETATM 1968 O O . HOH C 3 . ? 1.721 -19.312 17.380 1.00 45.38 ? 363 HOH A O 1 HETATM 1969 O O . HOH C 3 . ? 6.945 -6.212 -1.329 1.00 57.12 ? 364 HOH A O 1 HETATM 1970 O O . HOH C 3 . ? 13.668 -14.305 3.859 1.00 52.98 ? 365 HOH A O 1 HETATM 1971 O O . HOH C 3 . ? -22.285 -28.820 5.709 1.00 51.17 ? 366 HOH A O 1 HETATM 1972 O O . HOH C 3 . ? -20.830 -25.629 14.952 1.00 43.82 ? 367 HOH A O 1 HETATM 1973 O O . HOH C 3 . ? -2.307 -13.313 20.776 1.00 44.40 ? 368 HOH A O 1 HETATM 1974 O O . HOH C 3 . ? 4.767 -41.099 -10.332 1.00 55.14 ? 369 HOH A O 1 HETATM 1975 O O . HOH C 3 . ? -1.632 -30.825 9.757 1.00 46.71 ? 370 HOH A O 1 HETATM 1976 O O . HOH C 3 . ? 17.105 -14.576 -8.644 1.00 48.09 ? 371 HOH A O 1 HETATM 1977 O O . HOH C 3 . ? 1.356 -18.460 22.837 1.00 58.26 ? 372 HOH A O 1 HETATM 1978 O O . HOH C 3 . ? -8.956 -7.018 -0.282 1.00 46.26 ? 373 HOH A O 1 HETATM 1979 O O . HOH C 3 . ? 0.360 -29.425 11.064 1.00 48.05 ? 374 HOH A O 1 HETATM 1980 O O . HOH C 3 . ? -21.458 -33.081 14.413 1.00 47.62 ? 375 HOH A O 1 HETATM 1981 O O . HOH C 3 . ? 11.510 -19.174 16.111 1.00 61.24 ? 376 HOH A O 1 HETATM 1982 O O . HOH C 3 . ? -23.919 -33.645 -2.086 1.00 48.71 ? 377 HOH A O 1 HETATM 1983 O O . HOH C 3 . ? 17.293 -9.838 -1.361 1.00 50.90 ? 378 HOH A O 1 HETATM 1984 O O . HOH C 3 . ? -16.635 -32.011 -11.600 1.00 51.31 ? 379 HOH A O 1 HETATM 1985 O O . HOH C 3 . ? -5.571 -44.259 -8.748 1.00 52.58 ? 380 HOH A O 1 HETATM 1986 O O . HOH C 3 . ? -9.374 -41.787 -10.414 1.00 42.24 ? 381 HOH A O 1 HETATM 1987 O O . HOH C 3 . ? -18.190 -17.702 -9.051 1.00 59.87 ? 382 HOH A O 1 HETATM 1988 O O . HOH C 3 . ? -21.353 -31.579 -1.744 1.00 49.16 ? 383 HOH A O 1 HETATM 1989 O O . HOH C 3 . ? -7.721 -6.066 8.795 1.00 50.58 ? 384 HOH A O 1 HETATM 1990 O O . HOH C 3 . ? -2.520 -5.557 3.373 1.00 54.36 ? 385 HOH A O 1 HETATM 1991 O O . HOH C 3 . ? -15.572 -46.703 8.816 1.00 52.16 ? 386 HOH A O 1 HETATM 1992 O O . HOH C 3 . ? -2.742 -35.988 7.638 1.00 49.65 ? 387 HOH A O 1 HETATM 1993 O O . HOH C 3 . ? 12.789 -11.755 3.889 1.00 53.88 ? 388 HOH A O 1 HETATM 1994 O O . HOH C 3 . ? 14.189 -30.061 6.514 1.00 58.46 ? 389 HOH A O 1 HETATM 1995 O O . HOH C 3 . ? 13.049 -35.486 11.341 1.00 62.34 ? 390 HOH A O 1 HETATM 1996 O O . HOH C 3 . ? 1.959 -29.592 13.511 1.00 41.90 ? 391 HOH A O 1 HETATM 1997 O O . HOH C 3 . ? -20.167 -37.785 -2.849 1.00 56.18 ? 392 HOH A O 1 HETATM 1998 O O . HOH C 3 . ? 22.304 -19.964 2.314 1.00 54.68 ? 393 HOH A O 1 HETATM 1999 O O . HOH C 3 . ? 11.810 -25.217 9.055 1.00 59.90 ? 394 HOH A O 1 HETATM 2000 O O . HOH C 3 . ? -5.523 -24.257 14.843 1.00 60.28 ? 395 HOH A O 1 HETATM 2001 O O . HOH C 3 . ? 17.135 -26.932 -6.819 1.00 56.32 ? 396 HOH A O 1 HETATM 2002 O O . HOH C 3 . ? -2.736 -16.899 -11.752 1.00 59.92 ? 397 HOH A O 1 HETATM 2003 O O . HOH C 3 . ? -21.340 -18.931 0.016 1.00 53.92 ? 398 HOH A O 1 HETATM 2004 O O . HOH C 3 . ? 9.049 -32.632 -9.301 1.00 60.26 ? 399 HOH A O 1 HETATM 2005 O O . HOH C 3 . ? -24.049 -14.144 8.870 1.00 56.47 ? 400 HOH A O 1 HETATM 2006 O O . HOH C 3 . ? -2.479 -4.679 -2.751 1.00 55.55 ? 401 HOH A O 1 HETATM 2007 O O . HOH C 3 . ? 13.717 -20.161 5.724 1.00 53.31 ? 402 HOH A O 1 HETATM 2008 O O . HOH C 3 . ? 11.403 -24.808 16.468 1.00 56.92 ? 403 HOH A O 1 HETATM 2009 O O . HOH C 3 . ? 5.155 -4.413 1.177 1.00 51.71 ? 404 HOH A O 1 HETATM 2010 O O . HOH C 3 . ? 3.982 -8.231 7.477 1.00 27.92 ? 405 HOH A O 1 HETATM 2011 O O . HOH C 3 . ? 2.455 -38.600 7.614 1.00 46.52 ? 406 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 VAL 1 16 16 VAL VAL A . n A 1 2 VAL 2 17 17 VAL VAL A . n A 1 3 GLY 3 18 18 GLY GLY A . n A 1 4 GLY 4 19 19 GLY GLY A . n A 1 5 ASP 5 20 20 ASP ASP A . n A 1 6 GLU 6 21 21 GLU GLU A . n A 1 7 CYS 7 22 22 CYS CYS A . n A 1 8 ASN 8 23 23 ASN ASN A . n A 1 9 ILE 9 24 24 ILE ILE A . n A 1 10 ASN 10 25 25 ASN ASN A . n A 1 11 GLU 11 26 26 GLU GLU A . n A 1 12 HIS 12 27 27 HIS HIS A . n A 1 13 PRO 13 28 28 PRO PRO A . n A 1 14 PHE 14 29 29 PHE PHE A . n A 1 15 LEU 15 30 30 LEU LEU A . n A 1 16 VAL 16 31 31 VAL VAL A . n A 1 17 ALA 17 32 32 ALA ALA A . n A 1 18 LEU 18 33 33 LEU LEU A . n A 1 19 TYR 19 34 34 TYR TYR A . n A 1 20 THR 20 35 35 THR THR A . n A 1 21 SER 21 36 36 SER SER A . n A 1 22 ALA 22 36 36 ALA ALA A A n A 1 23 SER 23 37 37 SER SER A . n A 1 24 SER 24 38 38 SER SER A . n A 1 25 THR 25 39 39 THR THR A . n A 1 26 ILE 26 40 40 ILE ILE A . n A 1 27 HIS 27 41 41 HIS HIS A . n A 1 28 CYS 28 42 42 CYS CYS A . n A 1 29 ALA 29 43 43 ALA ALA A . n A 1 30 GLY 30 44 44 GLY GLY A . n A 1 31 ALA 31 45 45 ALA ALA A . n A 1 32 LEU 32 46 46 LEU LEU A . n A 1 33 ILE 33 47 47 ILE ILE A . n A 1 34 ASN 34 48 48 ASN ASN A . n A 1 35 ARG 35 49 49 ARG ARG A . n A 1 36 GLU 36 50 50 GLU GLU A . n A 1 37 TRP 37 51 51 TRP TRP A . n A 1 38 VAL 38 52 52 VAL VAL A . n A 1 39 LEU 39 53 53 LEU LEU A . n A 1 40 THR 40 54 54 THR THR A . n A 1 41 ALA 41 55 55 ALA ALA A . n A 1 42 ALA 42 56 56 ALA ALA A . n A 1 43 HIS 43 57 57 HIS HIS A . n A 1 44 CYS 44 58 58 CYS CYS A . n A 1 45 ASP 45 59 59 ASP ASP A . n A 1 46 ARG 46 60 60 ARG ARG A . n A 1 47 ARG 47 62 62 ARG ARG A . n A 1 48 ASN 48 63 63 ASN ASN A . n A 1 49 ILE 49 64 64 ILE ILE A . n A 1 50 ARG 50 65 65 ARG ARG A . n A 1 51 ILE 51 66 66 ILE ILE A . n A 1 52 LYS 52 67 67 LYS LYS A . n A 1 53 LEU 53 68 68 LEU LEU A . n A 1 54 GLY 54 69 69 GLY GLY A . n A 1 55 MET 55 70 70 MET MET A . n A 1 56 HIS 56 71 71 HIS HIS A . n A 1 57 SER 57 72 72 SER SER A . n A 1 58 LYS 58 73 73 LYS LYS A . n A 1 59 ASN 59 74 74 ASN ASN A . n A 1 60 ILE 60 75 75 ILE ILE A . n A 1 61 ARG 61 76 76 ARG ARG A . n A 1 62 ASN 62 77 77 ASN ASN A . n A 1 63 GLU 63 78 78 GLU GLU A . n A 1 64 ASP 64 79 79 ASP ASP A . n A 1 65 GLU 65 80 80 GLU GLU A . n A 1 66 GLN 66 81 81 GLN GLN A . n A 1 67 ILE 67 82 82 ILE ILE A . n A 1 68 ARG 68 83 83 ARG ARG A . n A 1 69 VAL 69 84 84 VAL VAL A . n A 1 70 PRO 70 85 85 PRO PRO A . n A 1 71 ARG 71 86 86 ARG ARG A . n A 1 72 GLY 72 87 87 GLY GLY A . n A 1 73 LYS 73 88 88 LYS LYS A . n A 1 74 TYR 74 89 89 TYR TYR A . n A 1 75 PHE 75 90 90 PHE PHE A . n A 1 76 CYS 76 91 91 CYS CYS A . n A 1 77 LEU 77 92 92 LEU LEU A . n A 1 78 ASN 78 93 93 ASN ASN A . n A 1 79 THR 79 94 94 THR THR A . n A 1 80 LYS 80 95 95 LYS LYS A . n A 1 81 PHE 81 95 95 PHE PHE A A n A 1 82 PRO 82 96 96 PRO PRO A . n A 1 83 ASN 83 97 97 ASN ASN A . n A 1 84 GLY 84 98 98 GLY GLY A . n A 1 85 LEU 85 99 99 LEU LEU A . n A 1 86 ASP 86 100 100 ASP ASP A . n A 1 87 LYS 87 101 101 LYS LYS A . n A 1 88 ASP 88 102 102 ASP ASP A . n A 1 89 ILE 89 103 103 ILE ILE A . n A 1 90 MET 90 104 104 MET MET A . n A 1 91 LEU 91 105 105 LEU LEU A . n A 1 92 ILE 92 106 106 ILE ILE A . n A 1 93 ARG 93 107 107 ARG ARG A . n A 1 94 LEU 94 108 108 LEU LEU A . n A 1 95 ARG 95 109 109 ARG ARG A . n A 1 96 ARG 96 110 110 ARG ARG A . n A 1 97 PRO 97 111 111 PRO PRO A . n A 1 98 VAL 98 112 112 VAL VAL A . n A 1 99 THR 99 113 113 THR THR A . n A 1 100 TYR 100 114 114 TYR TYR A . n A 1 101 SER 101 115 115 SER SER A . n A 1 102 THR 102 116 116 THR THR A . n A 1 103 HIS 103 117 117 HIS HIS A . n A 1 104 ILE 104 118 118 ILE ILE A . n A 1 105 ALA 105 119 119 ALA ALA A . n A 1 106 PRO 106 120 120 PRO PRO A . n A 1 107 VAL 107 121 121 VAL VAL A . n A 1 108 SER 108 122 122 SER SER A . n A 1 109 LEU 109 123 123 LEU LEU A . n A 1 110 PRO 110 124 124 PRO PRO A . n A 1 111 SER 111 125 125 SER SER A . n A 1 112 ARG 112 127 127 ARG ARG A . n A 1 113 SER 113 128 128 SER SER A . n A 1 114 ARG 114 129 129 ARG ARG A . n A 1 115 GLY 115 131 131 GLY GLY A . n A 1 116 VAL 116 132 132 VAL VAL A . n A 1 117 GLY 117 133 133 GLY GLY A . n A 1 118 SER 118 134 134 SER SER A . n A 1 119 ARG 119 135 135 ARG ARG A . n A 1 120 CYS 120 136 136 CYS CYS A . n A 1 121 ARG 121 137 137 ARG ARG A . n A 1 122 ILE 122 138 138 ILE ILE A . n A 1 123 MET 123 139 139 MET MET A . n A 1 124 GLY 124 140 140 GLY GLY A . n A 1 125 TRP 125 141 141 TRP TRP A . n A 1 126 GLY 126 142 142 GLY GLY A . n A 1 127 LYS 127 143 143 LYS LYS A . n A 1 128 ILE 128 144 144 ILE ILE A . n A 1 129 SER 129 145 145 SER SER A . n A 1 130 THR 130 146 146 THR THR A . n A 1 131 THR 131 147 147 THR THR A . n A 1 132 THR 132 148 148 THR THR A . n A 1 133 TYR 133 149 149 TYR TYR A . n A 1 134 PRO 134 152 152 PRO PRO A . n A 1 135 ASP 135 153 153 ASP ASP A . n A 1 136 VAL 136 154 154 VAL VAL A . n A 1 137 PRO 137 155 155 PRO PRO A . n A 1 138 HIS 138 156 156 HIS HIS A . n A 1 139 CYS 139 157 157 CYS CYS A . n A 1 140 THR 140 158 158 THR THR A . n A 1 141 ASN 141 159 159 ASN ASN A . n A 1 142 ILE 142 160 160 ILE ILE A . n A 1 143 PHE 143 161 161 PHE PHE A . n A 1 144 ILE 144 162 162 ILE ILE A . n A 1 145 VAL 145 163 163 VAL VAL A . n A 1 146 LYS 146 164 164 LYS LYS A . n A 1 147 HIS 147 165 165 HIS HIS A . n A 1 148 LYS 148 166 166 LYS LYS A . n A 1 149 TRP 149 167 167 TRP TRP A . n A 1 150 CYS 150 168 168 CYS CYS A . n A 1 151 GLU 151 169 169 GLU GLU A . n A 1 152 PRO 152 170 170 PRO PRO A . n A 1 153 LEU 153 171 171 LEU LEU A . n A 1 154 TYR 154 172 172 TYR TYR A . n A 1 155 PRO 155 172 172 PRO PRO A A n A 1 156 TRP 156 173 173 TRP TRP A . n A 1 157 VAL 157 174 174 VAL VAL A . n A 1 158 PRO 158 175 175 PRO PRO A . n A 1 159 ALA 159 176 176 ALA ALA A . n A 1 160 ASP 160 177 177 ASP ASP A . n A 1 161 SER 161 178 178 SER SER A . n A 1 162 ARG 162 179 179 ARG ARG A . n A 1 163 THR 163 180 180 THR THR A . n A 1 164 LEU 164 181 181 LEU LEU A . n A 1 165 CYS 165 182 182 CYS CYS A . n A 1 166 ALA 166 183 183 ALA ALA A . n A 1 167 GLY 167 184 184 GLY GLY A . n A 1 168 ILE 168 185 185 ILE ILE A . n A 1 169 LEU 169 186 186 LEU LEU A . n A 1 170 LYS 170 186 186 LYS LYS A A n A 1 171 GLY 171 186 186 GLY GLY A B n A 1 172 GLY 172 187 187 GLY GLY A . n A 1 173 ARG 173 188 188 ARG ARG A . n A 1 174 ASP 174 189 189 ASP ASP A . n A 1 175 THR 175 190 190 THR THR A . n A 1 176 CYS 176 191 191 CYS CYS A . n A 1 177 HIS 177 192 192 HIS HIS A . n A 1 178 GLY 178 193 193 GLY GLY A . n A 1 179 ASP 179 194 194 ASP ASP A . n A 1 180 SER 180 195 195 SER SER A . n A 1 181 GLY 181 196 196 GLY GLY A . n A 1 182 GLY 182 197 197 GLY GLY A . n A 1 183 PRO 183 198 198 PRO PRO A . n A 1 184 LEU 184 199 199 LEU LEU A . n A 1 185 ILE 185 200 200 ILE ILE A . n A 1 186 CYS 186 201 201 CYS CYS A . n A 1 187 ASN 187 202 202 ASN ASN A . n A 1 188 GLY 188 207 207 GLY GLY A . n A 1 189 GLU 189 208 208 GLU GLU A . n A 1 190 MET 190 209 209 MET MET A . n A 1 191 HIS 191 210 210 HIS HIS A . n A 1 192 GLY 192 211 211 GLY GLY A . n A 1 193 ILE 193 212 212 ILE ILE A . n A 1 194 VAL 194 213 213 VAL VAL A . n A 1 195 ALA 195 214 214 ALA ALA A . n A 1 196 GLY 196 215 215 GLY GLY A . n A 1 197 GLY 197 216 216 GLY GLY A . n A 1 198 SER 198 217 217 SER SER A . n A 1 199 GLU 199 218 218 GLU GLU A . n A 1 200 PRO 200 219 219 PRO PRO A . n A 1 201 CYS 201 220 220 CYS CYS A . n A 1 202 GLY 202 221 221 GLY GLY A . n A 1 203 GLN 203 221 221 GLN GLN A A n A 1 204 HIS 204 222 222 HIS HIS A . n A 1 205 LEU 205 223 223 LEU LEU A . n A 1 206 LYS 206 224 224 LYS LYS A . n A 1 207 PRO 207 225 225 PRO PRO A . n A 1 208 ALA 208 226 226 ALA ALA A . n A 1 209 VAL 209 227 227 VAL VAL A . n A 1 210 TYR 210 228 228 TYR TYR A . n A 1 211 THR 211 229 229 THR THR A . n A 1 212 LYS 212 230 230 LYS LYS A . n A 1 213 VAL 213 231 231 VAL VAL A . n A 1 214 PHE 214 232 232 PHE PHE A . n A 1 215 ASP 215 233 233 ASP ASP A . n A 1 216 TYR 216 234 234 TYR TYR A . n A 1 217 ASN 217 235 235 ASN ASN A . n A 1 218 ASN 218 236 236 ASN ASN A . n A 1 219 TRP 219 237 237 TRP TRP A . n A 1 220 ILE 220 238 238 ILE ILE A . n A 1 221 GLN 221 239 239 GLN GLN A . n A 1 222 SER 222 240 240 SER SER A . n A 1 223 ILE 223 241 241 ILE ILE A . n A 1 224 ILE 224 242 242 ILE ILE A . n A 1 225 ALA 225 243 243 ALA ALA A . n A 1 226 GLY 226 244 244 GLY GLY A . n A 1 227 ASN 227 245 245 ASN ASN A . n A 1 228 ARG 228 245 245 ARG ARG A A n A 1 229 THR 229 245 245 THR THR A B n A 1 230 VAL 230 245 245 VAL VAL A C n A 1 231 THR 231 245 245 THR THR A D n A 1 232 CYS 232 245 245 CYS CYS A E n A 1 233 PRO 233 245 245 PRO PRO A F n A 1 234 PRO 234 245 245 PRO PRO A G n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 HOH 1 1 1 HOH TIP A . C 3 HOH 2 2 2 HOH TIP A . C 3 HOH 3 3 3 HOH TIP A . C 3 HOH 4 4 4 HOH TIP A . C 3 HOH 5 5 5 HOH TIP A . C 3 HOH 6 6 6 HOH TIP A . C 3 HOH 7 7 7 HOH TIP A . C 3 HOH 8 8 8 HOH TIP A . C 3 HOH 9 9 9 HOH TIP A . C 3 HOH 10 10 10 HOH TIP A . C 3 HOH 11 11 11 HOH TIP A . C 3 HOH 12 12 12 HOH TIP A . C 3 HOH 13 13 13 HOH TIP A . C 3 HOH 14 14 14 HOH TIP A . C 3 HOH 15 15 15 HOH TIP A . C 3 HOH 16 61 61 HOH TIP A . C 3 HOH 17 126 126 HOH TIP A . C 3 HOH 18 130 130 HOH TIP A . C 3 HOH 19 150 150 HOH TIP A . C 3 HOH 20 151 151 HOH TIP A . C 3 HOH 21 246 16 HOH TIP A . C 3 HOH 22 247 17 HOH TIP A . C 3 HOH 23 248 18 HOH TIP A . C 3 HOH 24 249 19 HOH TIP A . C 3 HOH 25 250 20 HOH TIP A . C 3 HOH 26 251 21 HOH TIP A . C 3 HOH 27 252 22 HOH TIP A . C 3 HOH 28 253 23 HOH TIP A . C 3 HOH 29 254 24 HOH TIP A . C 3 HOH 30 255 25 HOH TIP A . C 3 HOH 31 256 26 HOH TIP A . C 3 HOH 32 257 27 HOH TIP A . C 3 HOH 33 258 28 HOH TIP A . C 3 HOH 34 259 29 HOH TIP A . C 3 HOH 35 260 30 HOH TIP A . C 3 HOH 36 261 31 HOH TIP A . C 3 HOH 37 262 32 HOH TIP A . C 3 HOH 38 263 33 HOH TIP A . C 3 HOH 39 264 34 HOH TIP A . C 3 HOH 40 265 35 HOH TIP A . C 3 HOH 41 266 36 HOH TIP A . C 3 HOH 42 267 37 HOH TIP A . C 3 HOH 43 268 38 HOH TIP A . C 3 HOH 44 269 39 HOH TIP A . C 3 HOH 45 270 40 HOH TIP A . C 3 HOH 46 271 41 HOH TIP A . C 3 HOH 47 272 42 HOH TIP A . C 3 HOH 48 273 43 HOH TIP A . C 3 HOH 49 274 44 HOH TIP A . C 3 HOH 50 275 45 HOH TIP A . C 3 HOH 51 276 46 HOH TIP A . C 3 HOH 52 277 47 HOH TIP A . C 3 HOH 53 278 48 HOH TIP A . C 3 HOH 54 279 49 HOH TIP A . C 3 HOH 55 280 50 HOH TIP A . C 3 HOH 56 281 51 HOH TIP A . C 3 HOH 57 282 52 HOH TIP A . C 3 HOH 58 283 53 HOH TIP A . C 3 HOH 59 284 54 HOH TIP A . C 3 HOH 60 285 55 HOH TIP A . C 3 HOH 61 286 56 HOH TIP A . C 3 HOH 62 287 57 HOH TIP A . C 3 HOH 63 288 58 HOH TIP A . C 3 HOH 64 289 59 HOH TIP A . C 3 HOH 65 290 60 HOH TIP A . C 3 HOH 66 291 62 HOH TIP A . C 3 HOH 67 292 63 HOH TIP A . C 3 HOH 68 293 64 HOH TIP A . C 3 HOH 69 294 65 HOH TIP A . C 3 HOH 70 295 66 HOH TIP A . C 3 HOH 71 296 67 HOH TIP A . C 3 HOH 72 297 68 HOH TIP A . C 3 HOH 73 298 69 HOH TIP A . C 3 HOH 74 299 70 HOH TIP A . C 3 HOH 75 300 71 HOH TIP A . C 3 HOH 76 302 72 HOH TIP A . C 3 HOH 77 303 73 HOH TIP A . C 3 HOH 78 304 74 HOH TIP A . C 3 HOH 79 305 75 HOH TIP A . C 3 HOH 80 306 76 HOH TIP A . C 3 HOH 81 307 77 HOH TIP A . C 3 HOH 82 308 78 HOH TIP A . C 3 HOH 83 309 79 HOH TIP A . C 3 HOH 84 310 80 HOH TIP A . C 3 HOH 85 311 81 HOH TIP A . C 3 HOH 86 312 82 HOH TIP A . C 3 HOH 87 313 83 HOH TIP A . C 3 HOH 88 314 84 HOH TIP A . C 3 HOH 89 315 85 HOH TIP A . C 3 HOH 90 316 86 HOH TIP A . C 3 HOH 91 317 87 HOH TIP A . C 3 HOH 92 318 88 HOH TIP A . C 3 HOH 93 319 89 HOH TIP A . C 3 HOH 94 320 90 HOH TIP A . C 3 HOH 95 321 91 HOH TIP A . C 3 HOH 96 322 92 HOH TIP A . C 3 HOH 97 323 93 HOH TIP A . C 3 HOH 98 324 94 HOH TIP A . C 3 HOH 99 325 95 HOH TIP A . C 3 HOH 100 326 96 HOH TIP A . C 3 HOH 101 327 97 HOH TIP A . C 3 HOH 102 328 98 HOH TIP A . C 3 HOH 103 329 99 HOH TIP A . C 3 HOH 104 330 100 HOH TIP A . C 3 HOH 105 331 101 HOH TIP A . C 3 HOH 106 332 102 HOH TIP A . C 3 HOH 107 333 103 HOH TIP A . C 3 HOH 108 334 104 HOH TIP A . C 3 HOH 109 335 105 HOH TIP A . C 3 HOH 110 336 106 HOH TIP A . C 3 HOH 111 337 107 HOH TIP A . C 3 HOH 112 338 108 HOH TIP A . C 3 HOH 113 339 109 HOH TIP A . C 3 HOH 114 340 110 HOH TIP A . C 3 HOH 115 341 111 HOH TIP A . C 3 HOH 116 342 112 HOH TIP A . C 3 HOH 117 343 113 HOH TIP A . C 3 HOH 118 344 114 HOH TIP A . C 3 HOH 119 345 115 HOH TIP A . C 3 HOH 120 346 116 HOH TIP A . C 3 HOH 121 347 117 HOH TIP A . C 3 HOH 122 348 118 HOH TIP A . C 3 HOH 123 349 119 HOH TIP A . C 3 HOH 124 350 120 HOH TIP A . C 3 HOH 125 351 121 HOH TIP A . C 3 HOH 126 352 122 HOH TIP A . C 3 HOH 127 353 123 HOH TIP A . C 3 HOH 128 354 124 HOH TIP A . C 3 HOH 129 355 125 HOH TIP A . C 3 HOH 130 356 127 HOH TIP A . C 3 HOH 131 357 128 HOH TIP A . C 3 HOH 132 358 129 HOH TIP A . C 3 HOH 133 359 131 HOH TIP A . C 3 HOH 134 360 132 HOH TIP A . C 3 HOH 135 361 133 HOH TIP A . C 3 HOH 136 362 134 HOH TIP A . C 3 HOH 137 363 135 HOH TIP A . C 3 HOH 138 364 136 HOH TIP A . C 3 HOH 139 365 137 HOH TIP A . C 3 HOH 140 366 138 HOH TIP A . C 3 HOH 141 367 139 HOH TIP A . C 3 HOH 142 368 140 HOH TIP A . C 3 HOH 143 369 141 HOH TIP A . C 3 HOH 144 370 142 HOH TIP A . C 3 HOH 145 371 143 HOH TIP A . C 3 HOH 146 372 144 HOH TIP A . C 3 HOH 147 373 145 HOH TIP A . C 3 HOH 148 374 146 HOH TIP A . C 3 HOH 149 375 147 HOH TIP A . C 3 HOH 150 376 148 HOH TIP A . C 3 HOH 151 377 149 HOH TIP A . C 3 HOH 152 378 152 HOH TIP A . C 3 HOH 153 379 153 HOH TIP A . C 3 HOH 154 380 154 HOH TIP A . C 3 HOH 155 381 155 HOH TIP A . C 3 HOH 156 382 156 HOH TIP A . C 3 HOH 157 383 157 HOH TIP A . C 3 HOH 158 384 158 HOH TIP A . C 3 HOH 159 385 159 HOH TIP A . C 3 HOH 160 386 160 HOH TIP A . C 3 HOH 161 387 161 HOH TIP A . C 3 HOH 162 388 162 HOH TIP A . C 3 HOH 163 389 163 HOH TIP A . C 3 HOH 164 390 164 HOH TIP A . C 3 HOH 165 391 165 HOH TIP A . C 3 HOH 166 392 166 HOH TIP A . C 3 HOH 167 393 167 HOH TIP A . C 3 HOH 168 394 168 HOH TIP A . C 3 HOH 169 395 169 HOH TIP A . C 3 HOH 170 396 170 HOH TIP A . C 3 HOH 171 397 171 HOH TIP A . C 3 HOH 172 398 172 HOH TIP A . C 3 HOH 173 399 173 HOH TIP A . C 3 HOH 174 400 174 HOH TIP A . C 3 HOH 175 401 175 HOH TIP A . C 3 HOH 176 402 176 HOH TIP A . C 3 HOH 177 403 177 HOH TIP A . C 3 HOH 178 404 178 HOH TIP A . C 3 HOH 179 405 179 HOH TIP A . C 3 HOH 180 406 180 HOH TIP A . # _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 245 _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 # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-09-07 2 'Structure model' 1 1 2013-07-03 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.3 ? 1 HKL-2000 'data collection' . ? 2 HKL-2000 'data reduction' . ? 3 HKL-2000 'data scaling' . ? 4 MOLREP phasing . ? 5 # _pdbx_entry_details.entry_id 3S9B _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'THE RESIDUE NUMBERING IS NOT SEQUENTIAL. THE RESIDUE NUMBERING IS BASED ON THE TOPOLOGICAL EQUIVALENCE TO CHYMOTRYPSINOGEN.' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 63 ? ? -115.63 71.66 2 1 HIS A 71 ? ? -122.98 -84.14 3 1 ASN A 93 ? ? -113.25 67.32 4 1 PRO A 172 A ? -45.63 2.19 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #