data_3CA0 # _entry.id 3CA0 # _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 3CA0 RCSB RCSB046528 WWPDB D_1000046528 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3C9Z 'Sambucus nigra agglutinin II - tetragonal crystal form' unspecified PDB 3CA1 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to galactose' unspecified PDB 3CA3 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to N-acetygalactosamine' unspecified PDB 3CA4 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to lactose' unspecified PDB 3CA5 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to methyl-galactose' unspecified PDB 3CA6 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to Tn antigen' unspecified PDB 3CAH 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to fucose' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3CA0 _pdbx_database_status.recvd_initial_deposition_date 2008-02-19 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Maveyraud, L.' 1 'Niwa, H.' 2 'Guillet, V.' 3 'Palmer, R.A.' 4 'Reynolds, C.D.' 5 'Mourey, L.' 6 # _citation.id primary _citation.title 'Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra' _citation.journal_abbrev Proteins _citation.journal_volume 75 _citation.page_first 89 _citation.page_last 103 _citation.year 2009 _citation.journal_id_ASTM PSFGEY _citation.country US _citation.journal_id_ISSN 0887-3585 _citation.journal_id_CSD 0867 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18798567 _citation.pdbx_database_id_DOI 10.1002/prot.22222 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Maveyraud, L.' 1 primary 'Niwa, H.' 2 primary 'Guillet, V.' 3 primary 'Svergun, D.I.' 4 primary 'Konarev, P.V.' 5 primary 'Palmer, R.A.' 6 primary 'Peumans, W.J.' 7 primary 'Rouge, P.' 8 primary 'Van Damme, E.J.' 9 primary 'Reynolds, C.D.' 10 primary 'Mourey, L.' 11 # _cell.entry_id 3CA0 _cell.length_a 120.204 _cell.length_b 120.204 _cell.length_c 177.340 _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 3CA0 _symmetry.space_group_name_H-M 'P 64 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 181 _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 'Agglutinin II' 28439.059 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man ALPHA-L-FUCOSE 164.156 3 ? ? ? ? 6 non-polymer man BETA-D-XYLOPYRANOSE 150.130 1 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 7 ? ? ? ? 8 non-polymer syn 'ACETATE ION' 59.044 1 ? ? ? ? 9 water nat water 18.015 335 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name SNA-II # _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 ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRLVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _entity_poly.pdbx_seq_one_letter_code_can ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRLVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _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 THR n 1 2 SER n 1 3 PHE n 1 4 THR n 1 5 ARG n 1 6 ASN n 1 7 ILE n 1 8 VAL n 1 9 GLY n 1 10 ARG n 1 11 ASP n 1 12 GLY n 1 13 LEU n 1 14 CYS n 1 15 VAL n 1 16 ASP n 1 17 VAL n 1 18 ARG n 1 19 ASN n 1 20 GLY n 1 21 TYR n 1 22 ASP n 1 23 THR n 1 24 ASP n 1 25 GLY n 1 26 THR n 1 27 PRO n 1 28 LEU n 1 29 GLN n 1 30 LEU n 1 31 TRP n 1 32 PRO n 1 33 CYS n 1 34 GLY n 1 35 THR n 1 36 GLN n 1 37 ARG n 1 38 ASN n 1 39 GLN n 1 40 ARG n 1 41 TRP n 1 42 THR n 1 43 PHE n 1 44 ASP n 1 45 SER n 1 46 ASP n 1 47 ASP n 1 48 THR n 1 49 ILE n 1 50 ARG n 1 51 SER n 1 52 MET n 1 53 GLY n 1 54 LYS n 1 55 CYS n 1 56 MET n 1 57 THR n 1 58 ALA n 1 59 ASN n 1 60 GLY n 1 61 LEU n 1 62 ASN n 1 63 ASN n 1 64 GLY n 1 65 SER n 1 66 ASN n 1 67 ILE n 1 68 VAL n 1 69 ILE n 1 70 PHE n 1 71 ASN n 1 72 CYS n 1 73 SER n 1 74 THR n 1 75 ALA n 1 76 ALA n 1 77 GLU n 1 78 ASN n 1 79 ALA n 1 80 ILE n 1 81 LYS n 1 82 TRP n 1 83 GLU n 1 84 VAL n 1 85 PRO n 1 86 ILE n 1 87 ASP n 1 88 GLY n 1 89 SER n 1 90 ILE n 1 91 ILE n 1 92 ASN n 1 93 PRO n 1 94 SER n 1 95 SER n 1 96 GLY n 1 97 LEU n 1 98 VAL n 1 99 MET n 1 100 THR n 1 101 ALA n 1 102 PRO n 1 103 ARG n 1 104 ALA n 1 105 ALA n 1 106 SER n 1 107 ARG n 1 108 THR n 1 109 ILE n 1 110 LEU n 1 111 LEU n 1 112 LEU n 1 113 GLU n 1 114 ASP n 1 115 ASN n 1 116 ILE n 1 117 TYR n 1 118 ALA n 1 119 ALA n 1 120 SER n 1 121 GLN n 1 122 GLY n 1 123 TRP n 1 124 THR n 1 125 VAL n 1 126 THR n 1 127 ASN n 1 128 ASN n 1 129 VAL n 1 130 LYS n 1 131 PRO n 1 132 ILE n 1 133 VAL n 1 134 ALA n 1 135 SER n 1 136 ILE n 1 137 VAL n 1 138 GLY n 1 139 TYR n 1 140 LYS n 1 141 GLU n 1 142 MET n 1 143 CYS n 1 144 LEU n 1 145 GLN n 1 146 SER n 1 147 ASN n 1 148 GLY n 1 149 GLU n 1 150 ASN n 1 151 ASN n 1 152 GLY n 1 153 VAL n 1 154 TRP n 1 155 MET n 1 156 GLU n 1 157 ASP n 1 158 CYS n 1 159 GLU n 1 160 ALA n 1 161 THR n 1 162 SER n 1 163 LEU n 1 164 GLN n 1 165 GLN n 1 166 GLN n 1 167 TRP n 1 168 ALA n 1 169 LEU n 1 170 TYR n 1 171 GLY n 1 172 ASP n 1 173 ARG n 1 174 THR n 1 175 ILE n 1 176 ARG n 1 177 VAL n 1 178 ASN n 1 179 SER n 1 180 THR n 1 181 ARG n 1 182 GLY n 1 183 LEU n 1 184 CYS n 1 185 VAL n 1 186 THR n 1 187 THR n 1 188 ASN n 1 189 GLY n 1 190 TYR n 1 191 ASN n 1 192 SER n 1 193 LYS n 1 194 ASP n 1 195 LEU n 1 196 ILE n 1 197 ILE n 1 198 ILE n 1 199 LEU n 1 200 LYS n 1 201 CYS n 1 202 GLN n 1 203 GLY n 1 204 LEU n 1 205 PRO n 1 206 SER n 1 207 GLN n 1 208 ARG n 1 209 TRP n 1 210 PHE n 1 211 PHE n 1 212 ASN n 1 213 SER n 1 214 ASP n 1 215 GLY n 1 216 ALA n 1 217 ILE n 1 218 VAL n 1 219 ASN n 1 220 PRO n 1 221 LYS n 1 222 SER n 1 223 ARG n 1 224 LEU n 1 225 VAL n 1 226 MET n 1 227 ASP n 1 228 VAL n 1 229 ARG n 1 230 ALA n 1 231 SER n 1 232 ASN n 1 233 VAL n 1 234 SER n 1 235 LEU n 1 236 ARG n 1 237 GLU n 1 238 ILE n 1 239 ILE n 1 240 ILE n 1 241 PHE n 1 242 PRO n 1 243 ALA n 1 244 THR n 1 245 GLY n 1 246 ASN n 1 247 PRO n 1 248 ASN n 1 249 GLN n 1 250 GLN n 1 251 TRP n 1 252 VAL n 1 253 THR n 1 254 GLN n 1 255 VAL n 1 256 LEU n 1 257 PRO n 1 258 SER 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 'European elder, elderberry' _entity_src_nat.pdbx_organism_scientific 'Sambucus nigra' _entity_src_nat.pdbx_ncbi_taxonomy_id ? _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue BARK _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 NIGB_SAMNI _struct_ref.pdbx_db_accession P33183 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRHVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _struct_ref.pdbx_align_begin 306 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3CA0 _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 258 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P33183 _struct_ref_seq.db_align_beg 306 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 563 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 258 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 3CA0 _struct_ref_seq_dif.mon_id LEU _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 224 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P33183 _struct_ref_seq_dif.db_mon_id HIS _struct_ref_seq_dif.pdbx_seq_db_seq_num 529 _struct_ref_seq_dif.details 'SEE REMARK 999' _struct_ref_seq_dif.pdbx_auth_seq_num 224 _struct_ref_seq_dif.pdbx_ordinal 1 # 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 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 XYP D-saccharide . BETA-D-XYLOPYRANOSE ? 'C5 H10 O5' 150.130 # _exptl.entry_id 3CA0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 6.52 _exptl_crystal.density_percent_sol 81.14 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pdbx_details 'PROTEIN 16 MG/ML, AMMONIUM SULFATE 2.0 M, SODIUM ACETATE 100 mM, pH 4.5, VAPOR DIFFUSION, HANGING 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 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date 2002-11-08 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Diamond (111), Ge(220)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.937 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.937 # _reflns.entry_id 3CA0 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 1.90 _reflns.d_resolution_low 51.30 _reflns.number_all 57308 _reflns.number_obs 57308 _reflns.percent_possible_obs 95.5 _reflns.pdbx_Rmerge_I_obs 0.083 _reflns.pdbx_Rsym_value 0.083 _reflns.pdbx_netI_over_sigmaI 13.7 _reflns.B_iso_Wilson_estimate 29.5 _reflns.pdbx_redundancy 5.0 _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 2.00 _reflns_shell.percent_possible_all 70.0 _reflns_shell.Rmerge_I_obs 0.324 _reflns_shell.pdbx_Rsym_value 0.324 _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy 2.1 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 5977 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3CA0 _refine.ls_number_reflns_obs 52296 _refine.ls_number_reflns_all 52296 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 1.95 _refine.ls_percent_reflns_obs 99.03 _refine.ls_R_factor_obs 0.17259 _refine.ls_R_factor_all 0.17259 _refine.ls_R_factor_R_work 0.17146 _refine.ls_R_factor_R_free 0.19412 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 2762 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.964 _refine.correlation_coeff_Fo_to_Fc_free 0.953 _refine.B_iso_mean 41.658 _refine.aniso_B[1][1] 0.78 _refine.aniso_B[2][2] 0.78 _refine.aniso_B[3][3] -1.16 _refine.aniso_B[1][2] 0.39 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'chain B of ricin, PDN entry 2AAI' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.085 _refine.pdbx_overall_ESU_R_Free 0.086 _refine.overall_SU_ML 0.059 _refine.overall_SU_B 3.696 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1980 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 209 _refine_hist.number_atoms_solvent 335 _refine_hist.number_atoms_total 2524 _refine_hist.d_res_high 1.95 _refine_hist.d_res_low 20.00 # 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_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.021 0.021 ? 2289 'X-RAY DIFFRACTION' ? r_bond_other_d 0.003 0.020 ? 1473 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.907 2.039 ? 3153 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.369 3.005 ? 3546 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.444 5.000 ? 268 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.937 24.688 ? 96 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.748 15.000 ? 338 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 18.639 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.131 0.200 ? 385 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.008 0.020 ? 2409 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 411 'X-RAY DIFFRACTION' ? r_nbd_refined 0.205 0.200 ? 373 'X-RAY DIFFRACTION' ? r_nbd_other 0.216 0.200 ? 1606 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.167 0.200 ? 1143 'X-RAY DIFFRACTION' ? r_nbtor_other 0.113 0.200 ? 1175 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.156 0.200 ? 219 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.127 0.200 ? 8 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 0.393 0.200 ? 42 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.199 0.200 ? 29 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.323 1.500 ? 1668 'X-RAY DIFFRACTION' ? r_mcbond_other 0.310 1.500 ? 534 'X-RAY DIFFRACTION' ? r_mcangle_it 1.696 2.000 ? 2140 'X-RAY DIFFRACTION' ? r_scbond_it 3.052 3.000 ? 1103 'X-RAY DIFFRACTION' ? r_scangle_it 4.648 4.500 ? 1013 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.950 _refine_ls_shell.d_res_low 2.000 _refine_ls_shell.number_reflns_R_work 3455 _refine_ls_shell.R_factor_R_work 0.216 _refine_ls_shell.percent_reflns_obs 90.27 _refine_ls_shell.R_factor_R_free 0.225 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 181 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3CA0 _struct.title 'Sambucus nigra agglutinin II (SNA-II), hexagonal crystal form' _struct.pdbx_descriptor 'Agglutinin II (SNA-II)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag N _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3CA0 _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN, Plant protein' _struct_keywords.text 'BETA-TREFOIL, RICIN-B DOMAIN, GLYCOSYLATION, Glycoprotein, Lectin, SUGAR BINDING PROTEIN, Plant protein' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 4 ? H N N 6 ? I N N 2 ? J N N 5 ? K N N 2 ? L N N 2 ? M N N 2 ? N N N 2 ? O N N 5 ? P N N 7 ? Q N N 7 ? R N N 7 ? S N N 7 ? T N N 7 ? U N N 7 ? V N N 7 ? W N N 8 ? X N N 9 ? # _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 GLY A 9 ? LEU A 13 ? GLY A 9 LEU A 13 5 ? 5 HELX_P HELX_P2 2 ASN A 19 ? TYR A 21 ? ASN A 19 TYR A 21 5 ? 3 HELX_P HELX_P3 3 GLN A 36 ? ARG A 40 ? GLN A 36 ARG A 40 5 ? 5 HELX_P HELX_P4 4 ALA A 76 ? LYS A 81 ? ALA A 76 LYS A 81 1 ? 6 HELX_P HELX_P5 5 ALA A 118 ? GLY A 122 ? ALA A 118 GLY A 122 5 ? 5 HELX_P HELX_P6 6 GLY A 138 ? MET A 142 ? GLY A 138 MET A 142 5 ? 5 HELX_P HELX_P7 7 SER A 162 ? GLN A 165 ? SER A 162 GLN A 165 5 ? 4 HELX_P HELX_P8 8 LEU A 204 ? ARG A 208 ? LEU A 204 ARG A 208 5 ? 5 HELX_P HELX_P9 9 ALA A 230 ? ARG A 236 ? ALA A 230 ARG A 236 5 ? 7 HELX_P HELX_P10 10 ASN A 246 ? GLN A 250 ? ASN A 246 GLN A 250 5 ? 5 # _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 14 SG ? ? ? 1_555 A CYS 33 SG ? ? A CYS 14 A CYS 33 1_555 ? ? ? ? ? ? ? 2.136 ? disulf2 disulf ? ? A CYS 55 SG ? ? ? 1_555 A CYS 72 SG ? ? A CYS 55 A CYS 72 1_555 ? ? ? ? ? ? ? 2.117 ? disulf3 disulf ? ? A CYS 143 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 143 A CYS 158 1_555 ? ? ? ? ? ? ? 2.145 ? disulf4 disulf ? ? A CYS 184 SG ? ? ? 1_555 A CYS 201 SG ? ? A CYS 184 A CYS 201 1_555 ? ? ? ? ? ? ? 2.097 ? covale1 covale ? ? A ASN 63 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 63 A NAG 258 1_555 ? ? ? ? ? ? ? 1.445 ? covale2 covale ? ? A ASN 71 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 71 A NAG 265 1_555 ? ? ? ? ? ? ? 1.468 ? covale3 covale ? ? A ASN 178 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 178 A NAG 267 1_555 ? ? ? ? ? ? ? 1.484 ? covale4 covale ? ? A ASN 232 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 232 A NAG 269 1_555 ? ? ? ? ? ? ? 1.457 ? covale5 covale ? ? B NAG . O3 ? ? ? 1_555 F FUC . C1 ? ? A NAG 258 A FUC 262 1_555 ? ? ? ? ? ? ? 1.483 ? covale6 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 258 A NAG 259 1_555 ? ? ? ? ? ? ? 1.410 ? covale7 covale ? ? I NAG . O3 ? ? ? 1_555 J FUC . C1 ? ? A NAG 265 A FUC 266 1_555 ? ? ? ? ? ? ? 1.451 ? covale8 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 267 A NAG 268 1_555 ? ? ? ? ? ? ? 1.459 ? covale9 covale ? ? M NAG . O3 ? ? ? 1_555 O FUC . C1 ? ? A NAG 269 A FUC 271 1_555 ? ? ? ? ? ? ? 1.456 ? covale10 covale ? ? M NAG . O4 ? ? ? 1_555 N NAG . C1 ? ? A NAG 269 A NAG 270 1_555 ? ? ? ? ? ? ? 1.442 ? covale11 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 259 A BMA 260 1_555 ? ? ? ? ? ? ? 1.409 ? covale12 covale ? ? D BMA . O3 ? ? ? 1_555 E MAN . C1 ? ? A BMA 260 A MAN 261 1_555 ? ? ? ? ? ? ? 1.438 ? covale13 covale ? ? D BMA . O6 ? ? ? 1_555 G MAN . C1 ? ? A BMA 260 A MAN 263 1_555 ? ? ? ? ? ? ? 1.439 ? covale14 covale ? ? D BMA . O2 ? ? ? 1_555 H XYP . C5B ? ? A BMA 260 A XYP 264 1_555 ? ? ? ? ? ? ? 1.446 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 2 ? C ? 6 ? D ? 2 ? E ? 2 ? F ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? 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 C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 98 ? THR A 100 ? VAL A 98 THR A 100 A 2 LEU A 111 ? GLU A 113 ? LEU A 111 GLU A 113 A 3 SER A 65 ? PHE A 70 ? SER A 65 PHE A 70 A 4 LYS A 54 ? ALA A 58 ? LYS A 54 ALA A 58 A 5 ILE A 49 ? SER A 51 ? ILE A 49 SER A 51 A 6 TRP A 41 ? ASP A 44 ? TRP A 41 ASP A 44 A 7 SER A 2 ? VAL A 8 ? SER A 2 VAL A 8 A 8 THR A 124 ? THR A 126 ? THR A 124 THR A 126 B 1 CYS A 14 ? VAL A 17 ? CYS A 14 VAL A 17 B 2 LEU A 28 ? TRP A 31 ? LEU A 28 TRP A 31 C 1 ILE A 196 ? LYS A 200 ? ILE A 196 LYS A 200 C 2 THR A 180 ? THR A 187 ? THR A 180 THR A 187 C 3 ILE A 175 ? VAL A 177 ? ILE A 175 VAL A 177 C 4 TRP A 167 ? LEU A 169 ? TRP A 167 LEU A 169 C 5 ILE A 132 ? VAL A 137 ? ILE A 132 VAL A 137 C 6 VAL A 252 ? VAL A 255 ? VAL A 252 VAL A 255 D 1 CYS A 143 ? GLN A 145 ? CYS A 143 GLN A 145 D 2 TRP A 154 ? GLU A 156 ? TRP A 154 GLU A 156 E 1 PHE A 210 ? PHE A 211 ? PHE A 210 PHE A 211 E 2 ILE A 217 ? VAL A 218 ? ILE A 217 VAL A 218 F 1 VAL A 225 ? VAL A 228 ? VAL A 225 VAL A 228 F 2 ILE A 238 ? PHE A 241 ? ILE A 238 PHE A 241 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 98 ? N VAL A 98 O GLU A 113 ? O GLU A 113 A 2 3 O LEU A 112 ? O LEU A 112 N SER A 65 ? N SER A 65 A 3 4 O PHE A 70 ? O PHE A 70 N CYS A 55 ? N CYS A 55 A 4 5 O MET A 56 ? O MET A 56 N ILE A 49 ? N ILE A 49 A 5 6 O ARG A 50 ? O ARG A 50 N THR A 42 ? N THR A 42 A 6 7 O PHE A 43 ? O PHE A 43 N PHE A 3 ? N PHE A 3 A 7 8 N VAL A 8 ? N VAL A 8 O THR A 124 ? O THR A 124 B 1 2 N CYS A 14 ? N CYS A 14 O TRP A 31 ? O TRP A 31 C 1 2 O ILE A 197 ? O ILE A 197 N THR A 186 ? N THR A 186 C 2 3 O VAL A 185 ? O VAL A 185 N ILE A 175 ? N ILE A 175 C 3 4 O ARG A 176 ? O ARG A 176 N ALA A 168 ? N ALA A 168 C 4 5 O LEU A 169 ? O LEU A 169 N ILE A 132 ? N ILE A 132 C 5 6 N VAL A 137 ? N VAL A 137 O VAL A 252 ? O VAL A 252 D 1 2 N CYS A 143 ? N CYS A 143 O GLU A 156 ? O GLU A 156 E 1 2 N PHE A 210 ? N PHE A 210 O VAL A 218 ? O VAL A 218 F 1 2 N VAL A 225 ? N VAL A 225 O PHE A 241 ? O PHE A 241 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 258' AC2 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE NAG A 259' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BMA A 260' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 261' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE FUC A 262' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 263' AC7 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE XYP A 264' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 265' AC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE FUC A 266' BC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 267' BC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 268' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 269' BC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 270' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE FUC A 271' BC6 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 901' BC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 902' BC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 903' BC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 904' CC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 905' CC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 906' CC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 907' CC4 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE ACT A 910' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 10 TYR A 21 ? TYR A 21 . ? 11_555 ? 2 AC1 10 ASN A 63 ? ASN A 63 . ? 1_555 ? 3 AC1 10 GLY A 64 ? GLY A 64 . ? 1_555 ? 4 AC1 10 NAG C . ? NAG A 259 . ? 1_555 ? 5 AC1 10 FUC F . ? FUC A 262 . ? 1_555 ? 6 AC1 10 SO4 P . ? SO4 A 901 . ? 11_555 ? 7 AC1 10 HOH X . ? HOH A 970 . ? 1_555 ? 8 AC1 10 HOH X . ? HOH A 977 . ? 1_555 ? 9 AC1 10 HOH X . ? HOH A 1001 . ? 1_555 ? 10 AC1 10 HOH X . ? HOH A 1241 . ? 1_555 ? 11 AC2 13 ASN A 19 ? ASN A 19 . ? 11_555 ? 12 AC2 13 PRO A 102 ? PRO A 102 . ? 1_555 ? 13 AC2 13 ARG A 103 ? ARG A 103 . ? 1_555 ? 14 AC2 13 GLU A 113 ? GLU A 113 . ? 1_555 ? 15 AC2 13 NAG B . ? NAG A 258 . ? 1_555 ? 16 AC2 13 BMA D . ? BMA A 260 . ? 1_555 ? 17 AC2 13 FUC F . ? FUC A 262 . ? 1_555 ? 18 AC2 13 XYP H . ? XYP A 264 . ? 1_555 ? 19 AC2 13 SO4 P . ? SO4 A 901 . ? 11_555 ? 20 AC2 13 HOH X . ? HOH A 977 . ? 1_555 ? 21 AC2 13 HOH X . ? HOH A 1101 . ? 1_555 ? 22 AC2 13 HOH X . ? HOH A 1131 . ? 1_555 ? 23 AC2 13 HOH X . ? HOH A 1199 . ? 1_555 ? 24 AC3 6 TRP A 31 ? TRP A 31 . ? 11_555 ? 25 AC3 6 NAG C . ? NAG A 259 . ? 1_555 ? 26 AC3 6 MAN E . ? MAN A 261 . ? 1_555 ? 27 AC3 6 MAN G . ? MAN A 263 . ? 1_555 ? 28 AC3 6 XYP H . ? XYP A 264 . ? 1_555 ? 29 AC3 6 HOH X . ? HOH A 1131 . ? 1_555 ? 30 AC4 7 TRP A 31 ? TRP A 31 . ? 11_555 ? 31 AC4 7 BMA D . ? BMA A 260 . ? 1_555 ? 32 AC4 7 XYP H . ? XYP A 264 . ? 1_555 ? 33 AC4 7 SO4 U . ? SO4 A 906 . ? 11_555 ? 34 AC4 7 HOH X . ? HOH A 1041 . ? 11_555 ? 35 AC4 7 HOH X . ? HOH A 1107 . ? 11_555 ? 36 AC4 7 HOH X . ? HOH A 1113 . ? 11_555 ? 37 AC5 7 NAG B . ? NAG A 258 . ? 1_555 ? 38 AC5 7 NAG C . ? NAG A 259 . ? 1_555 ? 39 AC5 7 HOH X . ? HOH A 977 . ? 1_555 ? 40 AC5 7 HOH X . ? HOH A 1019 . ? 1_555 ? 41 AC5 7 HOH X . ? HOH A 1061 . ? 1_555 ? 42 AC5 7 HOH X . ? HOH A 1088 . ? 1_555 ? 43 AC5 7 HOH X . ? HOH A 1211 . ? 1_555 ? 44 AC6 3 ARG A 107 ? ARG A 107 . ? 11_555 ? 45 AC6 3 BMA D . ? BMA A 260 . ? 1_555 ? 46 AC6 3 HOH X . ? HOH A 1140 . ? 11_555 ? 47 AC7 11 ASP A 16 ? ASP A 16 . ? 11_555 ? 48 AC7 11 ASN A 19 ? ASN A 19 . ? 11_555 ? 49 AC7 11 GLN A 29 ? GLN A 29 . ? 11_555 ? 50 AC7 11 TRP A 31 ? TRP A 31 . ? 11_555 ? 51 AC7 11 ASN A 38 ? ASN A 38 . ? 11_555 ? 52 AC7 11 ARG A 107 ? ARG A 107 . ? 11_555 ? 53 AC7 11 NAG C . ? NAG A 259 . ? 1_555 ? 54 AC7 11 BMA D . ? BMA A 260 . ? 1_555 ? 55 AC7 11 MAN E . ? MAN A 261 . ? 1_555 ? 56 AC7 11 SO4 P . ? SO4 A 901 . ? 11_555 ? 57 AC7 11 HOH X . ? HOH A 1131 . ? 1_555 ? 58 AC8 3 ASN A 71 ? ASN A 71 . ? 1_555 ? 59 AC8 3 FUC J . ? FUC A 266 . ? 1_555 ? 60 AC8 3 SO4 S . ? SO4 A 904 . ? 1_555 ? 61 AC9 1 NAG I . ? NAG A 265 . ? 1_555 ? 62 BC1 7 VAL A 133 ? VAL A 133 . ? 1_555 ? 63 BC1 7 GLN A 166 ? GLN A 166 . ? 1_555 ? 64 BC1 7 ASN A 178 ? ASN A 178 . ? 1_555 ? 65 BC1 7 ARG A 181 ? ARG A 181 . ? 1_555 ? 66 BC1 7 PRO A 257 ? PRO A 257 . ? 1_555 ? 67 BC1 7 NAG L . ? NAG A 268 . ? 1_555 ? 68 BC1 7 HOH X . ? HOH A 982 . ? 1_555 ? 69 BC2 1 NAG K . ? NAG A 267 . ? 1_555 ? 70 BC3 5 ASN A 232 ? ASN A 232 . ? 1_555 ? 71 BC3 5 LEU A 235 ? LEU A 235 . ? 1_555 ? 72 BC3 5 NAG N . ? NAG A 270 . ? 1_555 ? 73 BC3 5 FUC O . ? FUC A 271 . ? 1_555 ? 74 BC3 5 HOH X . ? HOH A 1043 . ? 1_555 ? 75 BC4 2 NAG M . ? NAG A 269 . ? 1_555 ? 76 BC4 2 FUC O . ? FUC A 271 . ? 1_555 ? 77 BC5 2 NAG M . ? NAG A 269 . ? 1_555 ? 78 BC5 2 NAG N . ? NAG A 270 . ? 1_555 ? 79 BC6 8 ARG A 18 ? ARG A 18 . ? 1_555 ? 80 BC6 8 ASN A 19 ? ASN A 19 . ? 1_555 ? 81 BC6 8 ARG A 103 ? ARG A 103 . ? 11_555 ? 82 BC6 8 ARG A 107 ? ARG A 107 . ? 1_555 ? 83 BC6 8 NAG B . ? NAG A 258 . ? 11_555 ? 84 BC6 8 NAG C . ? NAG A 259 . ? 11_555 ? 85 BC6 8 XYP H . ? XYP A 264 . ? 11_555 ? 86 BC6 8 HOH X . ? HOH A 935 . ? 1_555 ? 87 BC7 3 THR A 4 ? THR A 4 . ? 1_555 ? 88 BC7 3 ARG A 40 ? ARG A 40 . ? 1_555 ? 89 BC7 3 HOH X . ? HOH A 1004 . ? 1_555 ? 90 BC8 6 THR A 23 ? THR A 23 . ? 1_555 ? 91 BC8 6 ASP A 24 ? ASP A 24 . ? 1_555 ? 92 BC8 6 LYS A 54 ? LYS A 54 . ? 1_555 ? 93 BC8 6 HOH X . ? HOH A 992 . ? 1_555 ? 94 BC8 6 HOH X . ? HOH A 1159 . ? 1_555 ? 95 BC8 6 HOH X . ? HOH A 1184 . ? 1_555 ? 96 BC9 5 ASN A 71 ? ASN A 71 . ? 1_555 ? 97 BC9 5 CYS A 72 ? CYS A 72 . ? 1_555 ? 98 BC9 5 SER A 73 ? SER A 73 . ? 1_555 ? 99 BC9 5 NAG I . ? NAG A 265 . ? 1_555 ? 100 BC9 5 HOH X . ? HOH A 1016 . ? 1_555 ? 101 CC1 5 THR A 161 ? THR A 161 . ? 1_555 ? 102 CC1 5 SER A 162 ? SER A 162 . ? 1_555 ? 103 CC1 5 LEU A 163 ? LEU A 163 . ? 1_555 ? 104 CC1 5 GLN A 164 ? GLN A 164 . ? 1_555 ? 105 CC1 5 HOH X . ? HOH A 1195 . ? 1_555 ? 106 CC2 6 GLY A 34 ? GLY A 34 . ? 1_555 ? 107 CC2 6 THR A 35 ? THR A 35 . ? 1_555 ? 108 CC2 6 GLN A 36 ? GLN A 36 . ? 1_555 ? 109 CC2 6 MAN E . ? MAN A 261 . ? 11_555 ? 110 CC2 6 HOH X . ? HOH A 938 . ? 1_555 ? 111 CC2 6 HOH X . ? HOH A 1213 . ? 1_555 ? 112 CC3 5 LYS A 221 ? LYS A 221 . ? 1_555 ? 113 CC3 5 LYS A 221 ? LYS A 221 . ? 4_665 ? 114 CC3 5 ARG A 223 ? ARG A 223 . ? 4_665 ? 115 CC3 5 ARG A 223 ? ARG A 223 . ? 1_555 ? 116 CC3 5 HOH X . ? HOH A 1137 . ? 1_555 ? 117 CC4 10 TYR A 21 ? TYR A 21 . ? 1_555 ? 118 CC4 10 THR A 23 ? THR A 23 . ? 1_555 ? 119 CC4 10 ASN A 62 ? ASN A 62 . ? 11_555 ? 120 CC4 10 ASN A 63 ? ASN A 63 . ? 11_555 ? 121 CC4 10 GLY A 64 ? GLY A 64 . ? 11_555 ? 122 CC4 10 SER A 65 ? SER A 65 . ? 11_555 ? 123 CC4 10 HOH X . ? HOH A 964 . ? 1_555 ? 124 CC4 10 HOH X . ? HOH A 987 . ? 11_555 ? 125 CC4 10 HOH X . ? HOH A 1002 . ? 11_555 ? 126 CC4 10 HOH X . ? HOH A 1014 . ? 1_555 ? # _database_PDB_matrix.entry_id 3CA0 _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 3CA0 _atom_sites.fract_transf_matrix[1][1] 0.008319 _atom_sites.fract_transf_matrix[1][2] 0.004803 _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] 0.009606 _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] 0.005639 _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 . THR A 1 1 ? 9.550 33.663 26.794 1.00 66.93 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 9.232 34.978 27.449 1.00 66.95 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 8.773 35.982 26.400 1.00 65.49 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 9.330 36.011 25.286 1.00 66.73 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 10.462 35.604 28.196 1.00 68.64 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 10.103 36.920 28.664 1.00 73.99 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 11.692 35.739 27.264 1.00 68.78 ? 1 THR A CG2 1 ATOM 8 N N . SER A 1 2 ? 7.766 36.788 26.737 1.00 62.52 ? 2 SER A N 1 ATOM 9 C CA . SER A 1 2 ? 7.225 37.730 25.782 1.00 60.09 ? 2 SER A CA 1 ATOM 10 C C . SER A 1 2 ? 6.770 39.048 26.421 1.00 57.39 ? 2 SER A C 1 ATOM 11 O O . SER A 1 2 ? 6.551 39.143 27.629 1.00 55.04 ? 2 SER A O 1 ATOM 12 C CB . SER A 1 2 ? 6.080 37.080 25.005 1.00 60.91 ? 2 SER A CB 1 ATOM 13 O OG . SER A 1 2 ? 4.920 36.945 25.812 1.00 63.19 ? 2 SER A OG 1 ATOM 14 N N . PHE A 1 3 ? 6.653 40.055 25.580 1.00 54.09 ? 3 PHE A N 1 ATOM 15 C CA . PHE A 1 3 ? 6.221 41.390 25.959 1.00 52.88 ? 3 PHE A CA 1 ATOM 16 C C . PHE A 1 3 ? 5.647 42.045 24.718 1.00 51.61 ? 3 PHE A C 1 ATOM 17 O O . PHE A 1 3 ? 6.006 41.662 23.600 1.00 50.23 ? 3 PHE A O 1 ATOM 18 C CB . PHE A 1 3 ? 7.381 42.220 26.520 1.00 52.42 ? 3 PHE A CB 1 ATOM 19 C CG . PHE A 1 3 ? 8.545 42.406 25.562 1.00 52.27 ? 3 PHE A CG 1 ATOM 20 C CD1 . PHE A 1 3 ? 9.541 41.461 25.470 1.00 51.47 ? 3 PHE A CD1 1 ATOM 21 C CD2 . PHE A 1 3 ? 8.646 43.541 24.764 1.00 54.31 ? 3 PHE A CD2 1 ATOM 22 C CE1 . PHE A 1 3 ? 10.602 41.648 24.615 1.00 51.96 ? 3 PHE A CE1 1 ATOM 23 C CE2 . PHE A 1 3 ? 9.702 43.719 23.884 1.00 55.15 ? 3 PHE A CE2 1 ATOM 24 C CZ . PHE A 1 3 ? 10.707 42.752 23.841 1.00 51.89 ? 3 PHE A CZ 1 ATOM 25 N N . THR A 1 4 ? 4.729 42.989 24.928 1.00 50.32 ? 4 THR A N 1 ATOM 26 C CA . THR A 1 4 ? 3.953 43.614 23.885 1.00 50.15 ? 4 THR A CA 1 ATOM 27 C C . THR A 1 4 ? 4.223 45.108 23.913 1.00 49.68 ? 4 THR A C 1 ATOM 28 O O . THR A 1 4 ? 4.233 45.723 24.986 1.00 48.99 ? 4 THR A O 1 ATOM 29 C CB . THR A 1 4 ? 2.451 43.307 24.086 1.00 51.31 ? 4 THR A CB 1 ATOM 30 O OG1 . THR A 1 4 ? 2.272 41.883 24.104 1.00 50.28 ? 4 THR A OG1 1 ATOM 31 C CG2 . THR A 1 4 ? 1.573 43.882 22.962 1.00 50.07 ? 4 THR A CG2 1 ATOM 32 N N . ARG A 1 5 ? 4.363 45.681 22.722 1.00 50.13 ? 5 ARG A N 1 ATOM 33 C CA . ARG A 1 5 ? 4.710 47.092 22.516 1.00 50.73 ? 5 ARG A CA 1 ATOM 34 C C . ARG A 1 5 ? 4.089 47.610 21.211 1.00 51.15 ? 5 ARG A C 1 ATOM 35 O O . ARG A 1 5 ? 3.662 46.824 20.343 1.00 51.64 ? 5 ARG A O 1 ATOM 36 C CB . ARG A 1 5 ? 6.248 47.259 22.395 1.00 49.70 ? 5 ARG A CB 1 ATOM 37 C CG . ARG A 1 5 ? 7.055 46.798 23.611 1.00 50.34 ? 5 ARG A CG 1 ATOM 38 C CD . ARG A 1 5 ? 6.857 47.705 24.788 1.00 50.56 ? 5 ARG A CD 1 ATOM 39 N NE . ARG A 1 5 ? 7.770 47.447 25.892 1.00 48.17 ? 5 ARG A NE 1 ATOM 40 C CZ . ARG A 1 5 ? 7.506 46.686 26.931 1.00 48.19 ? 5 ARG A CZ 1 ATOM 41 N NH1 . ARG A 1 5 ? 6.345 46.069 27.055 1.00 46.78 ? 5 ARG A NH1 1 ATOM 42 N NH2 . ARG A 1 5 ? 8.426 46.546 27.872 1.00 48.12 ? 5 ARG A NH2 1 ATOM 43 N N . ASN A 1 6 ? 4.053 48.930 21.054 1.00 51.02 ? 6 ASN A N 1 ATOM 44 C CA . ASN A 1 6 ? 3.863 49.511 19.728 1.00 51.54 ? 6 ASN A CA 1 ATOM 45 C C . ASN A 1 6 ? 5.225 49.557 19.030 1.00 51.61 ? 6 ASN A C 1 ATOM 46 O O . ASN A 1 6 ? 6.281 49.383 19.689 1.00 51.57 ? 6 ASN A O 1 ATOM 47 C CB . ASN A 1 6 ? 3.309 50.945 19.789 1.00 51.67 ? 6 ASN A CB 1 ATOM 48 C CG . ASN A 1 6 ? 1.838 51.011 20.124 1.00 55.41 ? 6 ASN A CG 1 ATOM 49 O OD1 . ASN A 1 6 ? 1.454 50.612 21.213 1.00 53.84 ? 6 ASN A OD1 1 ATOM 50 N ND2 . ASN A 1 6 ? 0.998 51.556 19.201 1.00 52.83 ? 6 ASN A ND2 1 ATOM 51 N N . ILE A 1 7 ? 5.237 49.729 17.706 1.00 51.10 ? 7 ILE A N 1 ATOM 52 C CA . ILE A 1 7 ? 6.525 49.935 16.944 1.00 51.92 ? 7 ILE A CA 1 ATOM 53 C C . ILE A 1 7 ? 6.397 51.271 16.218 1.00 51.85 ? 7 ILE A C 1 ATOM 54 O O . ILE A 1 7 ? 5.549 51.458 15.333 1.00 52.06 ? 7 ILE A O 1 ATOM 55 C CB . ILE A 1 7 ? 6.870 48.794 15.943 1.00 52.52 ? 7 ILE A CB 1 ATOM 56 C CG1 . ILE A 1 7 ? 6.784 47.398 16.640 1.00 53.20 ? 7 ILE A CG1 1 ATOM 57 C CG2 . ILE A 1 7 ? 8.255 49.100 15.226 1.00 51.96 ? 7 ILE A CG2 1 ATOM 58 C CD1 . ILE A 1 7 ? 6.825 46.126 15.682 1.00 52.08 ? 7 ILE A CD1 1 ATOM 59 N N . VAL A 1 8 ? 7.182 52.230 16.673 1.00 50.51 ? 8 VAL A N 1 ATOM 60 C CA . VAL A 1 8 ? 7.117 53.603 16.180 1.00 51.41 ? 8 VAL A CA 1 ATOM 61 C C . VAL A 1 8 ? 8.245 53.832 15.207 1.00 53.54 ? 8 VAL A C 1 ATOM 62 O O . VAL A 1 8 ? 9.398 53.464 15.484 1.00 53.15 ? 8 VAL A O 1 ATOM 63 C CB . VAL A 1 8 ? 7.223 54.627 17.318 1.00 51.34 ? 8 VAL A CB 1 ATOM 64 C CG1 . VAL A 1 8 ? 7.098 56.036 16.758 1.00 49.28 ? 8 VAL A CG1 1 ATOM 65 C CG2 . VAL A 1 8 ? 6.130 54.310 18.405 1.00 51.27 ? 8 VAL A CG2 1 ATOM 66 N N . GLY A 1 9 ? 7.919 54.417 14.051 1.00 53.86 ? 9 GLY A N 1 ATOM 67 C CA . GLY A 1 9 ? 8.927 54.728 13.082 1.00 53.57 ? 9 GLY A CA 1 ATOM 68 C C . GLY A 1 9 ? 8.745 56.090 12.427 1.00 53.54 ? 9 GLY A C 1 ATOM 69 O O . GLY A 1 9 ? 8.530 57.121 13.091 1.00 51.54 ? 9 GLY A O 1 ATOM 70 N N . ARG A 1 10 ? 8.886 56.083 11.099 1.00 52.54 ? 10 ARG A N 1 ATOM 71 C CA . ARG A 1 10 ? 9.041 57.290 10.320 1.00 52.81 ? 10 ARG A CA 1 ATOM 72 C C . ARG A 1 10 ? 7.936 58.281 10.637 1.00 52.91 ? 10 ARG A C 1 ATOM 73 O O . ARG A 1 10 ? 6.717 57.942 10.636 1.00 51.75 ? 10 ARG A O 1 ATOM 74 C CB . ARG A 1 10 ? 8.998 56.961 8.809 1.00 53.54 ? 10 ARG A CB 1 ATOM 75 C CG . ARG A 1 10 ? 9.349 58.166 7.935 1.00 53.98 ? 10 ARG A CG 1 ATOM 76 C CD . ARG A 1 10 ? 9.680 57.722 6.518 1.00 54.31 ? 10 ARG A CD 1 ATOM 77 N NE . ARG A 1 10 ? 10.042 58.861 5.712 1.00 53.77 ? 10 ARG A NE 1 ATOM 78 C CZ . ARG A 1 10 ? 10.448 58.761 4.466 1.00 53.74 ? 10 ARG A CZ 1 ATOM 79 N NH1 . ARG A 1 10 ? 10.626 57.583 3.892 1.00 50.42 ? 10 ARG A NH1 1 ATOM 80 N NH2 . ARG A 1 10 ? 10.702 59.846 3.811 1.00 54.85 ? 10 ARG A NH2 1 ATOM 81 N N . ASP A 1 11 ? 8.369 59.513 10.887 1.00 52.78 ? 11 ASP A N 1 ATOM 82 C CA . ASP A 1 11 ? 7.488 60.611 11.263 1.00 54.66 ? 11 ASP A CA 1 ATOM 83 C C . ASP A 1 11 ? 6.661 60.385 12.526 1.00 54.24 ? 11 ASP A C 1 ATOM 84 O O . ASP A 1 11 ? 5.654 61.045 12.728 1.00 52.65 ? 11 ASP A O 1 ATOM 85 C CB . ASP A 1 11 ? 6.566 60.957 10.101 1.00 54.65 ? 11 ASP A CB 1 ATOM 86 C CG . ASP A 1 11 ? 7.226 61.894 9.090 1.00 60.21 ? 11 ASP A CG 1 ATOM 87 O OD1 . ASP A 1 11 ? 6.469 62.462 8.256 1.00 61.22 ? 11 ASP A OD1 1 ATOM 88 O OD2 . ASP A 1 11 ? 8.493 62.021 9.071 1.00 61.52 ? 11 ASP A OD2 1 ATOM 89 N N . GLY A 1 12 ? 7.112 59.467 13.385 1.00 53.90 ? 12 GLY A N 1 ATOM 90 C CA . GLY A 1 12 ? 6.375 59.146 14.613 1.00 54.55 ? 12 GLY A CA 1 ATOM 91 C C . GLY A 1 12 ? 5.121 58.295 14.411 1.00 54.42 ? 12 GLY A C 1 ATOM 92 O O . GLY A 1 12 ? 4.339 58.129 15.329 1.00 52.57 ? 12 GLY A O 1 ATOM 93 N N . LEU A 1 13 ? 4.933 57.764 13.216 1.00 53.84 ? 13 LEU A N 1 ATOM 94 C CA . LEU A 1 13 ? 3.796 56.883 12.921 1.00 53.60 ? 13 LEU A CA 1 ATOM 95 C C . LEU A 1 13 ? 4.136 55.464 13.351 1.00 53.38 ? 13 LEU A C 1 ATOM 96 O O . LEU A 1 13 ? 5.292 55.138 13.518 1.00 54.17 ? 13 LEU A O 1 ATOM 97 C CB . LEU A 1 13 ? 3.479 56.911 11.422 1.00 53.20 ? 13 LEU A CB 1 ATOM 98 C CG . LEU A 1 13 ? 3.033 58.281 10.869 1.00 56.42 ? 13 LEU A CG 1 ATOM 99 C CD1 . LEU A 1 13 ? 2.822 58.303 9.329 1.00 56.58 ? 13 LEU A CD1 1 ATOM 100 C CD2 . LEU A 1 13 ? 1.756 58.689 11.574 1.00 56.36 ? 13 LEU A CD2 1 ATOM 101 N N . CYS A 1 14 ? 3.129 54.640 13.541 1.00 53.10 ? 14 CYS A N 1 ATOM 102 C CA . CYS A 1 14 ? 3.292 53.281 14.051 1.00 53.80 ? 14 CYS A CA 1 ATOM 103 C C . CYS A 1 14 ? 3.035 52.206 12.976 1.00 54.34 ? 14 CYS A C 1 ATOM 104 O O . CYS A 1 14 ? 2.313 52.430 11.981 1.00 54.23 ? 14 CYS A O 1 ATOM 105 C CB . CYS A 1 14 ? 2.295 53.068 15.193 1.00 54.72 ? 14 CYS A CB 1 ATOM 106 S SG . CYS A 1 14 ? 2.883 53.661 16.809 1.00 57.39 ? 14 CYS A SG 1 ATOM 107 N N . VAL A 1 15 ? 3.578 51.021 13.236 1.00 53.32 ? 15 VAL A N 1 ATOM 108 C CA . VAL A 1 15 ? 3.344 49.841 12.448 1.00 52.91 ? 15 VAL A CA 1 ATOM 109 C C . VAL A 1 15 ? 1.931 49.328 12.734 1.00 53.08 ? 15 VAL A C 1 ATOM 110 O O . VAL A 1 15 ? 1.608 49.067 13.893 1.00 52.17 ? 15 VAL A O 1 ATOM 111 C CB . VAL A 1 15 ? 4.378 48.745 12.736 1.00 53.65 ? 15 VAL A CB 1 ATOM 112 C CG1 . VAL A 1 15 ? 4.103 47.441 11.900 1.00 51.79 ? 15 VAL A CG1 1 ATOM 113 C CG2 . VAL A 1 15 ? 5.837 49.268 12.413 1.00 51.15 ? 15 VAL A CG2 1 ATOM 114 N N . ASP A 1 16 ? 1.118 49.220 11.672 1.00 52.04 ? 16 ASP A N 1 ATOM 115 C CA . ASP A 1 16 ? -0.334 49.040 11.780 1.00 52.49 ? 16 ASP A CA 1 ATOM 116 C C . ASP A 1 16 ? -0.778 47.973 10.765 1.00 53.17 ? 16 ASP A C 1 ATOM 117 O O . ASP A 1 16 ? -0.440 48.024 9.585 1.00 53.09 ? 16 ASP A O 1 ATOM 118 C CB . ASP A 1 16 ? -0.985 50.417 11.516 1.00 52.23 ? 16 ASP A CB 1 ATOM 119 C CG . ASP A 1 16 ? -2.493 50.422 11.584 1.00 54.58 ? 16 ASP A CG 1 ATOM 120 O OD1 . ASP A 1 16 ? -3.057 50.765 12.647 1.00 56.35 ? 16 ASP A OD1 1 ATOM 121 O OD2 . ASP A 1 16 ? -3.129 50.173 10.583 1.00 54.93 ? 16 ASP A OD2 1 ATOM 122 N N . VAL A 1 17 ? -1.547 47.001 11.230 1.00 53.68 ? 17 VAL A N 1 ATOM 123 C CA . VAL A 1 17 ? -2.221 46.083 10.326 1.00 53.37 ? 17 VAL A CA 1 ATOM 124 C C . VAL A 1 17 ? -3.529 46.722 9.859 1.00 53.00 ? 17 VAL A C 1 ATOM 125 O O . VAL A 1 17 ? -4.442 46.927 10.641 1.00 52.71 ? 17 VAL A O 1 ATOM 126 C CB . VAL A 1 17 ? -2.529 44.703 10.960 1.00 54.50 ? 17 VAL A CB 1 ATOM 127 C CG1 . VAL A 1 17 ? -2.932 43.715 9.824 1.00 53.80 ? 17 VAL A CG1 1 ATOM 128 C CG2 . VAL A 1 17 ? -1.307 44.171 11.829 1.00 51.50 ? 17 VAL A CG2 1 ATOM 129 N N . ARG A 1 18 ? -3.576 47.044 8.566 1.00 52.70 ? 18 ARG A N 1 ATOM 130 C CA . ARG A 1 18 ? -4.641 47.828 7.985 1.00 53.27 ? 18 ARG A CA 1 ATOM 131 C C . ARG A 1 18 ? -6.036 47.485 8.466 1.00 52.38 ? 18 ARG A C 1 ATOM 132 O O . ARG A 1 18 ? -6.571 46.374 8.264 1.00 51.34 ? 18 ARG A O 1 ATOM 133 C CB . ARG A 1 18 ? -4.543 47.850 6.435 1.00 52.13 ? 18 ARG A CB 1 ATOM 134 C CG . ARG A 1 18 ? -5.536 48.782 5.764 1.00 52.94 ? 18 ARG A CG 1 ATOM 135 C CD . ARG A 1 18 ? -5.401 48.725 4.215 1.00 52.24 ? 18 ARG A CD 1 ATOM 136 N NE . ARG A 1 18 ? -5.576 47.363 3.700 1.00 52.05 ? 18 ARG A NE 1 ATOM 137 C CZ . ARG A 1 18 ? -6.744 46.786 3.392 1.00 49.93 ? 18 ARG A CZ 1 ATOM 138 N NH1 . ARG A 1 18 ? -6.775 45.545 2.968 1.00 49.18 ? 18 ARG A NH1 1 ATOM 139 N NH2 . ARG A 1 18 ? -7.865 47.413 3.551 1.00 50.87 ? 18 ARG A NH2 1 ATOM 140 N N . ASN A 1 19 ? -6.649 48.481 9.101 1.00 53.73 ? 19 ASN A N 1 ATOM 141 C CA . ASN A 1 19 ? -8.032 48.391 9.591 1.00 53.06 ? 19 ASN A CA 1 ATOM 142 C C . ASN A 1 19 ? -8.378 47.200 10.447 1.00 53.36 ? 19 ASN A C 1 ATOM 143 O O . ASN A 1 19 ? -9.556 46.847 10.560 1.00 51.39 ? 19 ASN A O 1 ATOM 144 C CB . ASN A 1 19 ? -9.107 48.510 8.467 1.00 54.59 ? 19 ASN A CB 1 ATOM 145 C CG . ASN A 1 19 ? -10.342 49.245 8.945 1.00 53.87 ? 19 ASN A CG 1 ATOM 146 O OD1 . ASN A 1 19 ? -10.219 50.169 9.766 1.00 57.40 ? 19 ASN A OD1 1 ATOM 147 N ND2 . ASN A 1 19 ? -11.541 48.840 8.477 1.00 50.11 ? 19 ASN A ND2 1 ATOM 148 N N . GLY A 1 20 ? -7.376 46.591 11.067 1.00 52.70 ? 20 GLY A N 1 ATOM 149 C CA . GLY A 1 20 ? -7.568 45.414 11.914 1.00 52.79 ? 20 GLY A CA 1 ATOM 150 C C . GLY A 1 20 ? -7.887 44.164 11.125 1.00 53.54 ? 20 GLY A C 1 ATOM 151 O O . GLY A 1 20 ? -8.343 43.169 11.671 1.00 54.28 ? 20 GLY A O 1 ATOM 152 N N . TYR A 1 21 ? -7.679 44.181 9.821 1.00 53.53 ? 21 TYR A N 1 ATOM 153 C CA . TYR A 1 21 ? -7.971 42.979 9.033 1.00 53.94 ? 21 TYR A CA 1 ATOM 154 C C . TYR A 1 21 ? -6.807 42.019 9.245 1.00 54.82 ? 21 TYR A C 1 ATOM 155 O O . TYR A 1 21 ? -5.653 42.448 9.259 1.00 57.01 ? 21 TYR A O 1 ATOM 156 C CB . TYR A 1 21 ? -8.048 43.333 7.552 1.00 52.91 ? 21 TYR A CB 1 ATOM 157 C CG . TYR A 1 21 ? -9.169 44.251 7.182 1.00 51.38 ? 21 TYR A CG 1 ATOM 158 C CD1 . TYR A 1 21 ? -10.435 44.113 7.733 1.00 51.07 ? 21 TYR A CD1 1 ATOM 159 C CD2 . TYR A 1 21 ? -8.947 45.281 6.271 1.00 50.44 ? 21 TYR A CD2 1 ATOM 160 C CE1 . TYR A 1 21 ? -11.521 44.958 7.352 1.00 51.32 ? 21 TYR A CE1 1 ATOM 161 C CE2 . TYR A 1 21 ? -9.977 46.132 5.892 1.00 47.98 ? 21 TYR A CE2 1 ATOM 162 C CZ . TYR A 1 21 ? -11.264 45.979 6.439 1.00 51.82 ? 21 TYR A CZ 1 ATOM 163 O OH . TYR A 1 21 ? -12.228 46.860 6.073 1.00 50.12 ? 21 TYR A OH 1 ATOM 164 N N . ASP A 1 22 ? -7.067 40.737 9.373 1.00 54.50 ? 22 ASP A N 1 ATOM 165 C CA . ASP A 1 22 ? -5.964 39.798 9.621 1.00 54.43 ? 22 ASP A CA 1 ATOM 166 C C . ASP A 1 22 ? -5.790 38.702 8.570 1.00 54.35 ? 22 ASP A C 1 ATOM 167 O O . ASP A 1 22 ? -5.059 37.716 8.807 1.00 54.12 ? 22 ASP A O 1 ATOM 168 C CB . ASP A 1 22 ? -6.141 39.144 10.993 1.00 55.30 ? 22 ASP A CB 1 ATOM 169 C CG . ASP A 1 22 ? -7.402 38.299 11.089 1.00 59.25 ? 22 ASP A CG 1 ATOM 170 O OD1 . ASP A 1 22 ? -7.661 37.763 12.189 1.00 64.50 ? 22 ASP A OD1 1 ATOM 171 O OD2 . ASP A 1 22 ? -8.158 38.176 10.112 1.00 63.27 ? 22 ASP A OD2 1 ATOM 172 N N . THR A 1 23 ? -6.414 38.884 7.414 1.00 52.98 ? 23 THR A N 1 ATOM 173 C CA . THR A 1 23 ? -6.277 37.965 6.306 1.00 52.06 ? 23 THR A CA 1 ATOM 174 C C . THR A 1 23 ? -4.799 37.870 5.919 1.00 51.12 ? 23 THR A C 1 ATOM 175 O O . THR A 1 23 ? -4.124 38.893 5.790 1.00 49.44 ? 23 THR A O 1 ATOM 176 C CB . THR A 1 23 ? -7.134 38.445 5.119 1.00 52.87 ? 23 THR A CB 1 ATOM 177 O OG1 . THR A 1 23 ? -8.504 38.581 5.564 1.00 51.84 ? 23 THR A OG1 1 ATOM 178 C CG2 . THR A 1 23 ? -7.068 37.449 3.965 1.00 53.07 ? 23 THR A CG2 1 ATOM 179 N N . ASP A 1 24 ? -4.319 36.628 5.749 1.00 50.65 ? 24 ASP A N 1 ATOM 180 C CA . ASP A 1 24 ? -2.963 36.373 5.330 1.00 50.93 ? 24 ASP A CA 1 ATOM 181 C C . ASP A 1 24 ? -2.618 37.203 4.093 1.00 49.52 ? 24 ASP A C 1 ATOM 182 O O . ASP A 1 24 ? -3.354 37.189 3.128 1.00 49.50 ? 24 ASP A O 1 ATOM 183 C CB . ASP A 1 24 ? -2.803 34.888 4.927 1.00 51.33 ? 24 ASP A CB 1 ATOM 184 C CG . ASP A 1 24 ? -2.831 33.923 6.098 1.00 52.11 ? 24 ASP A CG 1 ATOM 185 O OD1 . ASP A 1 24 ? -3.005 32.717 5.812 1.00 53.43 ? 24 ASP A OD1 1 ATOM 186 O OD2 . ASP A 1 24 ? -2.657 34.329 7.259 1.00 53.46 ? 24 ASP A OD2 1 ATOM 187 N N . GLY A 1 25 ? -1.499 37.903 4.115 1.00 50.27 ? 25 GLY A N 1 ATOM 188 C CA . GLY A 1 25 ? -1.091 38.711 2.987 1.00 51.10 ? 25 GLY A CA 1 ATOM 189 C C . GLY A 1 25 ? -1.462 40.198 3.086 1.00 51.58 ? 25 GLY A C 1 ATOM 190 O O . GLY A 1 25 ? -1.103 40.955 2.204 1.00 52.57 ? 25 GLY A O 1 ATOM 191 N N . THR A 1 26 ? -2.245 40.595 4.090 1.00 51.50 ? 26 THR A N 1 ATOM 192 C CA . THR A 1 26 ? -2.564 42.019 4.304 1.00 51.58 ? 26 THR A CA 1 ATOM 193 C C . THR A 1 26 ? -1.272 42.813 4.612 1.00 52.55 ? 26 THR A C 1 ATOM 194 O O . THR A 1 26 ? -0.571 42.519 5.589 1.00 50.86 ? 26 THR A O 1 ATOM 195 C CB . THR A 1 26 ? -3.534 42.227 5.446 1.00 51.93 ? 26 THR A CB 1 ATOM 196 O OG1 . THR A 1 26 ? -4.724 41.442 5.208 1.00 50.20 ? 26 THR A OG1 1 ATOM 197 C CG2 . THR A 1 26 ? -3.918 43.742 5.572 1.00 51.31 ? 26 THR A CG2 1 ATOM 198 N N . PRO A 1 27 ? -0.952 43.816 3.776 1.00 52.45 ? 27 PRO A N 1 ATOM 199 C CA . PRO A 1 27 ? 0.263 44.597 4.020 1.00 53.82 ? 27 PRO A CA 1 ATOM 200 C C . PRO A 1 27 ? 0.237 45.391 5.308 1.00 53.58 ? 27 PRO A C 1 ATOM 201 O O . PRO A 1 27 ? -0.787 45.926 5.692 1.00 54.58 ? 27 PRO A O 1 ATOM 202 C CB . PRO A 1 27 ? 0.307 45.539 2.806 1.00 54.38 ? 27 PRO A CB 1 ATOM 203 C CG . PRO A 1 27 ? -0.440 44.754 1.754 1.00 52.95 ? 27 PRO A CG 1 ATOM 204 C CD . PRO A 1 27 ? -1.581 44.203 2.502 1.00 53.26 ? 27 PRO A CD 1 ATOM 205 N N . LEU A 1 28 ? 1.376 45.478 5.952 1.00 53.04 ? 28 LEU A N 1 ATOM 206 C CA . LEU A 1 28 ? 1.518 46.370 7.074 1.00 52.46 ? 28 LEU A CA 1 ATOM 207 C C . LEU A 1 28 ? 1.774 47.785 6.549 1.00 52.83 ? 28 LEU A C 1 ATOM 208 O O . LEU A 1 28 ? 2.348 47.982 5.460 1.00 50.61 ? 28 LEU A O 1 ATOM 209 C CB . LEU A 1 28 ? 2.690 45.909 7.982 1.00 52.83 ? 28 LEU A CB 1 ATOM 210 C CG . LEU A 1 28 ? 2.652 44.456 8.513 1.00 54.31 ? 28 LEU A CG 1 ATOM 211 C CD1 . LEU A 1 28 ? 3.740 44.313 9.615 1.00 54.63 ? 28 LEU A CD1 1 ATOM 212 C CD2 . LEU A 1 28 ? 1.281 44.076 8.968 1.00 54.34 ? 28 LEU A CD2 1 ATOM 213 N N . GLN A 1 29 ? 1.344 48.770 7.333 1.00 52.73 ? 29 GLN A N 1 ATOM 214 C CA . GLN A 1 29 ? 1.368 50.151 6.903 1.00 52.23 ? 29 GLN A CA 1 ATOM 215 C C . GLN A 1 29 ? 1.759 51.073 8.068 1.00 52.60 ? 29 GLN A C 1 ATOM 216 O O . GLN A 1 29 ? 1.711 50.685 9.234 1.00 51.97 ? 29 GLN A O 1 ATOM 217 C CB . GLN A 1 29 ? -0.012 50.562 6.317 1.00 52.08 ? 29 GLN A CB 1 ATOM 218 C CG . GLN A 1 29 ? -1.022 50.703 7.414 1.00 52.71 ? 29 GLN A CG 1 ATOM 219 C CD . GLN A 1 29 ? -2.402 51.180 6.979 1.00 53.70 ? 29 GLN A CD 1 ATOM 220 O OE1 . GLN A 1 29 ? -2.654 51.445 5.797 1.00 53.80 ? 29 GLN A OE1 1 ATOM 221 N NE2 . GLN A 1 29 ? -3.280 51.311 7.951 1.00 51.21 ? 29 GLN A NE2 1 ATOM 222 N N . LEU A 1 30 ? 2.086 52.322 7.751 1.00 51.87 ? 30 LEU A N 1 ATOM 223 C CA . LEU A 1 30 ? 2.169 53.337 8.792 1.00 51.54 ? 30 LEU A CA 1 ATOM 224 C C . LEU A 1 30 ? 0.792 53.938 9.086 1.00 51.97 ? 30 LEU A C 1 ATOM 225 O O . LEU A 1 30 ? -0.031 54.135 8.160 1.00 52.35 ? 30 LEU A O 1 ATOM 226 C CB . LEU A 1 30 ? 3.072 54.491 8.369 1.00 51.85 ? 30 LEU A CB 1 ATOM 227 C CG . LEU A 1 30 ? 4.527 54.232 8.072 1.00 55.08 ? 30 LEU A CG 1 ATOM 228 C CD1 . LEU A 1 30 ? 5.220 55.617 7.551 1.00 54.86 ? 30 LEU A CD1 1 ATOM 229 C CD2 . LEU A 1 30 ? 5.256 53.658 9.306 1.00 53.02 ? 30 LEU A CD2 1 ATOM 230 N N . TRP A 1 31 ? 0.537 54.233 10.353 1.00 51.26 ? 31 TRP A N 1 ATOM 231 C CA . TRP A 1 31 ? -0.737 54.861 10.768 1.00 52.23 ? 31 TRP A CA 1 ATOM 232 C C . TRP A 1 31 ? -0.478 55.572 12.117 1.00 52.82 ? 31 TRP A C 1 ATOM 233 O O . TRP A 1 31 ? 0.409 55.123 12.887 1.00 53.48 ? 31 TRP A O 1 ATOM 234 C CB . TRP A 1 31 ? -1.874 53.818 10.873 1.00 52.21 ? 31 TRP A CB 1 ATOM 235 C CG . TRP A 1 31 ? -3.192 54.460 11.050 1.00 51.28 ? 31 TRP A CG 1 ATOM 236 C CD1 . TRP A 1 31 ? -3.907 54.514 12.186 1.00 53.17 ? 31 TRP A CD1 1 ATOM 237 C CD2 . TRP A 1 31 ? -3.902 55.231 10.086 1.00 51.68 ? 31 TRP A CD2 1 ATOM 238 N NE1 . TRP A 1 31 ? -5.065 55.243 12.002 1.00 51.66 ? 31 TRP A NE1 1 ATOM 239 C CE2 . TRP A 1 31 ? -5.065 55.719 10.714 1.00 52.21 ? 31 TRP A CE2 1 ATOM 240 C CE3 . TRP A 1 31 ? -3.664 55.574 8.742 1.00 53.25 ? 31 TRP A CE3 1 ATOM 241 C CZ2 . TRP A 1 31 ? -5.982 56.537 10.058 1.00 53.48 ? 31 TRP A CZ2 1 ATOM 242 C CZ3 . TRP A 1 31 ? -4.596 56.355 8.080 1.00 50.30 ? 31 TRP A CZ3 1 ATOM 243 C CH2 . TRP A 1 31 ? -5.724 56.860 8.749 1.00 52.67 ? 31 TRP A CH2 1 ATOM 244 N N . PRO A 1 32 ? -1.106 56.733 12.354 1.00 52.49 ? 32 PRO A N 1 ATOM 245 C CA . PRO A 1 32 ? -0.897 57.363 13.667 1.00 52.84 ? 32 PRO A CA 1 ATOM 246 C C . PRO A 1 32 ? -1.071 56.405 14.835 1.00 53.92 ? 32 PRO A C 1 ATOM 247 O O . PRO A 1 32 ? -1.995 55.530 14.829 1.00 53.09 ? 32 PRO A O 1 ATOM 248 C CB . PRO A 1 32 ? -1.930 58.471 13.701 1.00 53.33 ? 32 PRO A CB 1 ATOM 249 C CG . PRO A 1 32 ? -2.072 58.868 12.272 1.00 53.79 ? 32 PRO A CG 1 ATOM 250 C CD . PRO A 1 32 ? -1.939 57.587 11.488 1.00 53.56 ? 32 PRO A CD 1 ATOM 251 N N . CYS A 1 33 ? -0.206 56.577 15.836 1.00 53.22 ? 33 CYS A N 1 ATOM 252 C CA . CYS A 1 33 ? -0.143 55.625 16.931 1.00 53.80 ? 33 CYS A CA 1 ATOM 253 C C . CYS A 1 33 ? -1.432 55.622 17.764 1.00 53.79 ? 33 CYS A C 1 ATOM 254 O O . CYS A 1 33 ? -2.009 56.677 18.044 1.00 52.46 ? 33 CYS A O 1 ATOM 255 C CB . CYS A 1 33 ? 0.995 55.936 17.844 1.00 55.12 ? 33 CYS A CB 1 ATOM 256 S SG . CYS A 1 33 ? 2.582 55.770 16.963 1.00 58.54 ? 33 CYS A SG 1 ATOM 257 N N . GLY A 1 34 ? -1.839 54.431 18.182 1.00 52.55 ? 34 GLY A N 1 ATOM 258 C CA . GLY A 1 34 ? -2.975 54.272 19.107 1.00 54.20 ? 34 GLY A CA 1 ATOM 259 C C . GLY A 1 34 ? -2.722 52.988 19.887 1.00 54.29 ? 34 GLY A C 1 ATOM 260 O O . GLY A 1 34 ? -1.620 52.410 19.822 1.00 53.71 ? 34 GLY A O 1 ATOM 261 N N . THR A 1 35 ? -3.758 52.495 20.522 1.00 53.74 ? 35 THR A N 1 ATOM 262 C CA . THR A 1 35 ? -3.679 51.350 21.429 1.00 55.17 ? 35 THR A CA 1 ATOM 263 C C . THR A 1 35 ? -4.480 50.147 20.928 1.00 55.26 ? 35 THR A C 1 ATOM 264 O O . THR A 1 35 ? -4.606 49.165 21.639 1.00 54.46 ? 35 THR A O 1 ATOM 265 C CB . THR A 1 35 ? -4.196 51.716 22.854 1.00 54.95 ? 35 THR A CB 1 ATOM 266 O OG1 . THR A 1 35 ? -5.545 52.226 22.778 1.00 55.56 ? 35 THR A OG1 1 ATOM 267 C CG2 . THR A 1 35 ? -3.330 52.741 23.458 1.00 58.98 ? 35 THR A CG2 1 ATOM 268 N N . GLN A 1 36 ? -5.009 50.213 19.707 1.00 54.87 ? 36 GLN A N 1 ATOM 269 C CA . GLN A 1 36 ? -5.833 49.126 19.179 1.00 55.90 ? 36 GLN A CA 1 ATOM 270 C C . GLN A 1 36 ? -4.976 47.917 18.878 1.00 54.29 ? 36 GLN A C 1 ATOM 271 O O . GLN A 1 36 ? -3.774 48.020 18.689 1.00 53.15 ? 36 GLN A O 1 ATOM 272 C CB . GLN A 1 36 ? -6.592 49.556 17.892 1.00 56.68 ? 36 GLN A CB 1 ATOM 273 C CG . GLN A 1 36 ? -7.449 50.794 18.092 1.00 62.23 ? 36 GLN A CG 1 ATOM 274 C CD . GLN A 1 36 ? -8.470 50.636 19.205 1.00 71.01 ? 36 GLN A CD 1 ATOM 275 O OE1 . GLN A 1 36 ? -9.102 49.571 19.336 1.00 75.07 ? 36 GLN A OE1 1 ATOM 276 N NE2 . GLN A 1 36 ? -8.598 51.673 20.058 1.00 73.78 ? 36 GLN A NE2 1 ATOM 277 N N . ARG A 1 37 ? -5.612 46.757 18.840 1.00 53.56 ? 37 ARG A N 1 ATOM 278 C CA . ARG A 1 37 ? -4.864 45.516 18.781 1.00 54.58 ? 37 ARG A CA 1 ATOM 279 C C . ARG A 1 37 ? -3.986 45.382 17.549 1.00 53.27 ? 37 ARG A C 1 ATOM 280 O O . ARG A 1 37 ? -2.967 44.732 17.616 1.00 53.94 ? 37 ARG A O 1 ATOM 281 C CB . ARG A 1 37 ? -5.794 44.320 18.970 1.00 54.75 ? 37 ARG A CB 1 ATOM 282 C CG . ARG A 1 37 ? -6.737 44.043 17.843 1.00 59.78 ? 37 ARG A CG 1 ATOM 283 C CD . ARG A 1 37 ? -7.886 43.057 18.249 1.00 63.26 ? 37 ARG A CD 1 ATOM 284 N NE . ARG A 1 37 ? -7.455 41.638 18.325 1.00 71.44 ? 37 ARG A NE 1 ATOM 285 C CZ . ARG A 1 37 ? -7.726 40.697 17.406 1.00 70.95 ? 37 ARG A CZ 1 ATOM 286 N NH1 . ARG A 1 37 ? -7.291 39.449 17.567 1.00 71.44 ? 37 ARG A NH1 1 ATOM 287 N NH2 . ARG A 1 37 ? -8.417 40.994 16.317 1.00 74.00 ? 37 ARG A NH2 1 ATOM 288 N N . ASN A 1 38 ? -4.357 46.040 16.445 1.00 51.94 ? 38 ASN A N 1 ATOM 289 C CA . ASN A 1 38 ? -3.613 45.965 15.197 1.00 53.46 ? 38 ASN A CA 1 ATOM 290 C C . ASN A 1 38 ? -2.368 46.844 15.153 1.00 51.92 ? 38 ASN A C 1 ATOM 291 O O . ASN A 1 38 ? -1.695 46.877 14.129 1.00 52.67 ? 38 ASN A O 1 ATOM 292 C CB . ASN A 1 38 ? -4.507 46.292 13.998 1.00 54.09 ? 38 ASN A CB 1 ATOM 293 C CG . ASN A 1 38 ? -4.954 47.753 13.987 1.00 56.20 ? 38 ASN A CG 1 ATOM 294 O OD1 . ASN A 1 38 ? -5.291 48.288 15.015 1.00 62.92 ? 38 ASN A OD1 1 ATOM 295 N ND2 . ASN A 1 38 ? -4.894 48.397 12.849 1.00 58.27 ? 38 ASN A ND2 1 ATOM 296 N N . GLN A 1 39 ? -2.058 47.507 16.265 1.00 51.87 ? 39 GLN A N 1 ATOM 297 C CA . GLN A 1 39 ? -0.777 48.151 16.486 1.00 53.42 ? 39 GLN A CA 1 ATOM 298 C C . GLN A 1 39 ? -0.033 47.602 17.712 1.00 53.38 ? 39 GLN A C 1 ATOM 299 O O . GLN A 1 39 ? 1.009 48.138 18.100 1.00 53.45 ? 39 GLN A O 1 ATOM 300 C CB . GLN A 1 39 ? -0.996 49.649 16.707 1.00 54.05 ? 39 GLN A CB 1 ATOM 301 C CG . GLN A 1 39 ? -1.374 50.407 15.468 1.00 55.30 ? 39 GLN A CG 1 ATOM 302 C CD . GLN A 1 39 ? -1.265 51.916 15.671 1.00 55.80 ? 39 GLN A CD 1 ATOM 303 O OE1 . GLN A 1 39 ? -0.756 52.372 16.713 1.00 56.60 ? 39 GLN A OE1 1 ATOM 304 N NE2 . GLN A 1 39 ? -1.776 52.691 14.724 1.00 54.39 ? 39 GLN A NE2 1 ATOM 305 N N . ARG A 1 40 ? -0.548 46.523 18.292 1.00 52.91 ? 40 ARG A N 1 ATOM 306 C CA . ARG A 1 40 ? 0.073 45.951 19.464 1.00 52.34 ? 40 ARG A CA 1 ATOM 307 C C . ARG A 1 40 ? 0.831 44.706 19.049 1.00 51.43 ? 40 ARG A C 1 ATOM 308 O O . ARG A 1 40 ? 0.239 43.728 18.606 1.00 51.60 ? 40 ARG A O 1 ATOM 309 C CB . ARG A 1 40 ? -0.954 45.655 20.547 1.00 52.23 ? 40 ARG A CB 1 ATOM 310 C CG . ARG A 1 40 ? -1.687 46.877 21.111 1.00 52.96 ? 40 ARG A CG 1 ATOM 311 C CD . ARG A 1 40 ? -0.706 47.871 21.779 1.00 52.34 ? 40 ARG A CD 1 ATOM 312 N NE . ARG A 1 40 ? -0.168 47.281 23.021 1.00 51.80 ? 40 ARG A NE 1 ATOM 313 C CZ . ARG A 1 40 ? 0.904 47.680 23.673 1.00 52.09 ? 40 ARG A CZ 1 ATOM 314 N NH1 . ARG A 1 40 ? 1.581 48.715 23.239 1.00 53.93 ? 40 ARG A NH1 1 ATOM 315 N NH2 . ARG A 1 40 ? 1.259 47.065 24.799 1.00 52.39 ? 40 ARG A NH2 1 ATOM 316 N N . TRP A 1 41 ? 2.148 44.765 19.168 1.00 50.86 ? 41 TRP A N 1 ATOM 317 C CA . TRP A 1 41 ? 3.069 43.716 18.694 1.00 51.33 ? 41 TRP A CA 1 ATOM 318 C C . TRP A 1 41 ? 3.748 42.988 19.841 1.00 51.23 ? 41 TRP A C 1 ATOM 319 O O . TRP A 1 41 ? 4.355 43.595 20.711 1.00 50.27 ? 41 TRP A O 1 ATOM 320 C CB . TRP A 1 41 ? 4.115 44.338 17.779 1.00 51.27 ? 41 TRP A CB 1 ATOM 321 C CG . TRP A 1 41 ? 3.471 44.913 16.519 1.00 51.98 ? 41 TRP A CG 1 ATOM 322 C CD1 . TRP A 1 41 ? 3.115 46.204 16.304 1.00 52.13 ? 41 TRP A CD1 1 ATOM 323 C CD2 . TRP A 1 41 ? 3.074 44.189 15.357 1.00 51.02 ? 41 TRP A CD2 1 ATOM 324 N NE1 . TRP A 1 41 ? 2.506 46.335 15.085 1.00 51.80 ? 41 TRP A NE1 1 ATOM 325 C CE2 . TRP A 1 41 ? 2.518 45.121 14.453 1.00 50.88 ? 41 TRP A CE2 1 ATOM 326 C CE3 . TRP A 1 41 ? 3.183 42.854 14.963 1.00 50.89 ? 41 TRP A CE3 1 ATOM 327 C CZ2 . TRP A 1 41 ? 2.027 44.752 13.209 1.00 52.96 ? 41 TRP A CZ2 1 ATOM 328 C CZ3 . TRP A 1 41 ? 2.707 42.475 13.709 1.00 49.81 ? 41 TRP A CZ3 1 ATOM 329 C CH2 . TRP A 1 41 ? 2.139 43.423 12.842 1.00 50.53 ? 41 TRP A CH2 1 ATOM 330 N N . THR A 1 42 ? 3.638 41.662 19.827 1.00 52.13 ? 42 THR A N 1 ATOM 331 C CA . THR A 1 42 ? 4.169 40.805 20.892 1.00 51.51 ? 42 THR A CA 1 ATOM 332 C C . THR A 1 42 ? 5.489 40.181 20.393 1.00 52.43 ? 42 THR A C 1 ATOM 333 O O . THR A 1 42 ? 5.538 39.554 19.328 1.00 52.12 ? 42 THR A O 1 ATOM 334 C CB . THR A 1 42 ? 3.166 39.765 21.278 1.00 51.41 ? 42 THR A CB 1 ATOM 335 O OG1 . THR A 1 42 ? 1.993 40.427 21.784 1.00 51.60 ? 42 THR A OG1 1 ATOM 336 C CG2 . THR A 1 42 ? 3.726 38.775 22.345 1.00 50.34 ? 42 THR A CG2 1 ATOM 337 N N . PHE A 1 43 ? 6.532 40.396 21.181 1.00 52.57 ? 43 PHE A N 1 ATOM 338 C CA . PHE A 1 43 ? 7.874 39.917 20.937 1.00 53.94 ? 43 PHE A CA 1 ATOM 339 C C . PHE A 1 43 ? 8.076 38.715 21.832 1.00 55.25 ? 43 PHE A C 1 ATOM 340 O O . PHE A 1 43 ? 7.788 38.767 23.028 1.00 54.21 ? 43 PHE A O 1 ATOM 341 C CB . PHE A 1 43 ? 8.871 41.006 21.258 1.00 53.64 ? 43 PHE A CB 1 ATOM 342 C CG . PHE A 1 43 ? 8.776 42.183 20.348 1.00 54.16 ? 43 PHE A CG 1 ATOM 343 C CD1 . PHE A 1 43 ? 9.732 42.396 19.375 1.00 55.02 ? 43 PHE A CD1 1 ATOM 344 C CD2 . PHE A 1 43 ? 7.739 43.080 20.435 1.00 53.45 ? 43 PHE A CD2 1 ATOM 345 C CE1 . PHE A 1 43 ? 9.675 43.461 18.524 1.00 54.59 ? 43 PHE A CE1 1 ATOM 346 C CE2 . PHE A 1 43 ? 7.682 44.187 19.560 1.00 52.58 ? 43 PHE A CE2 1 ATOM 347 C CZ . PHE A 1 43 ? 8.640 44.347 18.589 1.00 52.86 ? 43 PHE A CZ 1 ATOM 348 N N . ASP A 1 44 ? 8.498 37.605 21.238 1.00 57.66 ? 44 ASP A N 1 ATOM 349 C CA . ASP A 1 44 ? 8.718 36.355 21.949 1.00 58.60 ? 44 ASP A CA 1 ATOM 350 C C . ASP A 1 44 ? 10.147 35.831 21.772 1.00 59.55 ? 44 ASP A C 1 ATOM 351 O O . ASP A 1 44 ? 10.875 36.235 20.848 1.00 58.98 ? 44 ASP A O 1 ATOM 352 C CB . ASP A 1 44 ? 7.714 35.327 21.423 1.00 59.51 ? 44 ASP A CB 1 ATOM 353 C CG . ASP A 1 44 ? 7.684 34.035 22.252 1.00 62.03 ? 44 ASP A CG 1 ATOM 354 O OD1 . ASP A 1 44 ? 6.824 33.933 23.176 1.00 66.54 ? 44 ASP A OD1 1 ATOM 355 O OD2 . ASP A 1 44 ? 8.512 33.107 21.971 1.00 70.89 ? 44 ASP A OD2 1 ATOM 356 N N . SER A 1 45 ? 10.525 34.886 22.631 1.00 59.34 ? 45 SER A N 1 ATOM 357 C CA . SER A 1 45 ? 11.814 34.190 22.526 1.00 59.51 ? 45 SER A CA 1 ATOM 358 C C . SER A 1 45 ? 12.054 33.472 21.194 1.00 59.20 ? 45 SER A C 1 ATOM 359 O O . SER A 1 45 ? 13.199 33.240 20.816 1.00 59.25 ? 45 SER A O 1 ATOM 360 C CB . SER A 1 45 ? 11.956 33.173 23.656 1.00 60.99 ? 45 SER A CB 1 ATOM 361 O OG . SER A 1 45 ? 12.002 33.849 24.916 1.00 65.64 ? 45 SER A OG 1 ATOM 362 N N . ASP A 1 46 ? 10.981 33.133 20.481 1.00 57.99 ? 46 ASP A N 1 ATOM 363 C CA . ASP A 1 46 ? 11.099 32.499 19.175 1.00 56.55 ? 46 ASP A CA 1 ATOM 364 C C . ASP A 1 46 ? 11.389 33.463 18.070 1.00 55.32 ? 46 ASP A C 1 ATOM 365 O O . ASP A 1 46 ? 11.371 33.078 16.897 1.00 55.91 ? 46 ASP A O 1 ATOM 366 C CB . ASP A 1 46 ? 9.834 31.676 18.855 1.00 56.47 ? 46 ASP A CB 1 ATOM 367 C CG . ASP A 1 46 ? 8.589 32.521 18.671 1.00 55.26 ? 46 ASP A CG 1 ATOM 368 O OD1 . ASP A 1 46 ? 8.642 33.775 18.669 1.00 52.38 ? 46 ASP A OD1 1 ATOM 369 O OD2 . ASP A 1 46 ? 7.508 31.898 18.538 1.00 56.07 ? 46 ASP A OD2 1 ATOM 370 N N . ASP A 1 47 ? 11.599 34.733 18.424 1.00 54.42 ? 47 ASP A N 1 ATOM 371 C CA . ASP A 1 47 ? 11.963 35.803 17.479 1.00 53.87 ? 47 ASP A CA 1 ATOM 372 C C . ASP A 1 47 ? 10.842 36.211 16.524 1.00 52.43 ? 47 ASP A C 1 ATOM 373 O O . ASP A 1 47 ? 11.087 36.897 15.539 1.00 51.73 ? 47 ASP A O 1 ATOM 374 C CB . ASP A 1 47 ? 13.245 35.451 16.682 1.00 54.10 ? 47 ASP A CB 1 ATOM 375 C CG . ASP A 1 47 ? 14.464 35.260 17.579 1.00 58.03 ? 47 ASP A CG 1 ATOM 376 O OD1 . ASP A 1 47 ? 14.654 36.068 18.524 1.00 58.10 ? 47 ASP A OD1 1 ATOM 377 O OD2 . ASP A 1 47 ? 15.198 34.276 17.357 1.00 63.66 ? 47 ASP A OD2 1 ATOM 378 N N . THR A 1 48 ? 9.592 35.829 16.832 1.00 52.91 ? 48 THR A N 1 ATOM 379 C CA . THR A 1 48 ? 8.479 36.322 16.079 1.00 51.11 ? 48 THR A CA 1 ATOM 380 C C . THR A 1 48 ? 7.959 37.630 16.657 1.00 51.17 ? 48 THR A C 1 ATOM 381 O O . THR A 1 48 ? 8.216 37.981 17.833 1.00 50.02 ? 48 THR A O 1 ATOM 382 C CB . THR A 1 48 ? 7.330 35.321 15.994 1.00 52.32 ? 48 THR A CB 1 ATOM 383 O OG1 . THR A 1 48 ? 6.805 35.066 17.306 1.00 50.29 ? 48 THR A OG1 1 ATOM 384 C CG2 . THR A 1 48 ? 7.803 34.046 15.320 1.00 51.18 ? 48 THR A CG2 1 ATOM 385 N N . ILE A 1 49 ? 7.220 38.354 15.805 1.00 50.56 ? 49 ILE A N 1 ATOM 386 C CA . ILE A 1 49 ? 6.618 39.648 16.177 1.00 50.08 ? 49 ILE A CA 1 ATOM 387 C C . ILE A 1 49 ? 5.166 39.595 15.742 1.00 50.64 ? 49 ILE A C 1 ATOM 388 O O . ILE A 1 49 ? 4.881 39.527 14.534 1.00 51.58 ? 49 ILE A O 1 ATOM 389 C CB . ILE A 1 49 ? 7.363 40.848 15.550 1.00 49.33 ? 49 ILE A CB 1 ATOM 390 C CG1 . ILE A 1 49 ? 8.894 40.817 15.870 1.00 50.02 ? 49 ILE A CG1 1 ATOM 391 C CG2 . ILE A 1 49 ? 6.713 42.140 16.017 1.00 50.80 ? 49 ILE A CG2 1 ATOM 392 C CD1 . ILE A 1 49 ? 9.639 42.021 15.215 1.00 50.07 ? 49 ILE A CD1 1 ATOM 393 N N . ARG A 1 50 ? 4.265 39.507 16.716 1.00 51.17 ? 50 ARG A N 1 ATOM 394 C CA . ARG A 1 50 ? 2.889 39.042 16.424 1.00 51.13 ? 50 ARG A CA 1 ATOM 395 C C . ARG A 1 50 ? 1.830 40.080 16.773 1.00 50.93 ? 50 ARG A C 1 ATOM 396 O O . ARG A 1 50 ? 1.923 40.776 17.770 1.00 50.57 ? 50 ARG A O 1 ATOM 397 C CB . ARG A 1 50 ? 2.583 37.733 17.144 1.00 51.14 ? 50 ARG A CB 1 ATOM 398 C CG . ARG A 1 50 ? 3.487 36.592 16.785 1.00 50.20 ? 50 ARG A CG 1 ATOM 399 C CD . ARG A 1 50 ? 2.980 35.284 17.292 1.00 54.01 ? 50 ARG A CD 1 ATOM 400 N NE . ARG A 1 50 ? 4.051 34.299 17.252 1.00 54.15 ? 50 ARG A NE 1 ATOM 401 C CZ . ARG A 1 50 ? 3.878 32.987 17.182 1.00 57.65 ? 50 ARG A CZ 1 ATOM 402 N NH1 . ARG A 1 50 ? 4.939 32.205 17.141 1.00 56.83 ? 50 ARG A NH1 1 ATOM 403 N NH2 . ARG A 1 50 ? 2.664 32.442 17.163 1.00 58.52 ? 50 ARG A NH2 1 ATOM 404 N N . SER A 1 51 ? 0.824 40.202 15.920 1.00 52.10 ? 51 SER A N 1 ATOM 405 C CA . SER A 1 51 ? -0.349 41.026 16.218 1.00 52.52 ? 51 SER A CA 1 ATOM 406 C C . SER A 1 51 ? -1.577 40.227 15.790 1.00 53.26 ? 51 SER A C 1 ATOM 407 O O . SER A 1 51 ? -1.568 39.549 14.750 1.00 52.29 ? 51 SER A O 1 ATOM 408 C CB . SER A 1 51 ? -0.264 42.364 15.477 1.00 53.37 ? 51 SER A CB 1 ATOM 409 O OG . SER A 1 51 ? -1.455 43.149 15.639 1.00 51.42 ? 51 SER A OG 1 ATOM 410 N N . MET A 1 52 ? -2.603 40.257 16.628 1.00 53.65 ? 52 MET A N 1 ATOM 411 C CA . MET A 1 52 ? -3.821 39.561 16.372 1.00 55.52 ? 52 MET A CA 1 ATOM 412 C C . MET A 1 52 ? -3.607 38.064 16.207 1.00 55.55 ? 52 MET A C 1 ATOM 413 O O . MET A 1 52 ? -4.337 37.405 15.503 1.00 54.81 ? 52 MET A O 1 ATOM 414 C CB . MET A 1 52 ? -4.534 40.192 15.172 1.00 55.80 ? 52 MET A CB 1 ATOM 415 C CG . MET A 1 52 ? -4.871 41.637 15.446 1.00 57.55 ? 52 MET A CG 1 ATOM 416 S SD . MET A 1 52 ? -5.800 42.399 14.101 1.00 61.30 ? 52 MET A SD 1 ATOM 417 C CE . MET A 1 52 ? -4.507 42.450 12.895 1.00 59.88 ? 52 MET A CE 1 ATOM 418 N N . GLY A 1 53 ? -2.593 37.535 16.875 1.00 55.23 ? 53 GLY A N 1 ATOM 419 C CA . GLY A 1 53 ? -2.300 36.128 16.801 1.00 55.42 ? 53 GLY A CA 1 ATOM 420 C C . GLY A 1 53 ? -1.573 35.669 15.541 1.00 54.90 ? 53 GLY A C 1 ATOM 421 O O . GLY A 1 53 ? -1.387 34.482 15.362 1.00 55.75 ? 53 GLY A O 1 ATOM 422 N N . LYS A 1 54 ? -1.217 36.591 14.651 1.00 54.25 ? 54 LYS A N 1 ATOM 423 C CA . LYS A 1 54 ? -0.516 36.253 13.410 1.00 53.21 ? 54 LYS A CA 1 ATOM 424 C C . LYS A 1 54 ? 0.824 36.973 13.397 1.00 53.41 ? 54 LYS A C 1 ATOM 425 O O . LYS A 1 54 ? 1.053 37.853 14.203 1.00 53.10 ? 54 LYS A O 1 ATOM 426 C CB . LYS A 1 54 ? -1.376 36.656 12.187 1.00 52.97 ? 54 LYS A CB 1 ATOM 427 C CG . LYS A 1 54 ? -2.537 35.681 11.935 1.00 52.40 ? 54 LYS A CG 1 ATOM 428 C CD . LYS A 1 54 ? -3.192 35.909 10.574 1.00 51.19 ? 54 LYS A CD 1 ATOM 429 C CE . LYS A 1 54 ? -4.355 34.973 10.342 1.00 50.35 ? 54 LYS A CE 1 ATOM 430 N NZ . LYS A 1 54 ? -4.842 35.108 8.888 1.00 47.82 ? 54 LYS A NZ 1 ATOM 431 N N . CYS A 1 55 ? 1.690 36.588 12.468 1.00 52.92 ? 55 CYS A N 1 ATOM 432 C CA . CYS A 1 55 ? 3.068 37.088 12.420 1.00 52.96 ? 55 CYS A CA 1 ATOM 433 C C . CYS A 1 55 ? 3.342 38.201 11.446 1.00 52.49 ? 55 CYS A C 1 ATOM 434 O O . CYS A 1 55 ? 2.858 38.202 10.310 1.00 52.52 ? 55 CYS A O 1 ATOM 435 C CB . CYS A 1 55 ? 3.998 35.914 12.057 1.00 53.56 ? 55 CYS A CB 1 ATOM 436 S SG . CYS A 1 55 ? 4.320 34.780 13.402 1.00 55.52 ? 55 CYS A SG 1 ATOM 437 N N . MET A 1 56 ? 4.179 39.136 11.853 1.00 53.35 ? 56 MET A N 1 ATOM 438 C CA . MET A 1 56 ? 4.869 40.003 10.908 1.00 53.77 ? 56 MET A CA 1 ATOM 439 C C . MET A 1 56 ? 5.731 39.136 9.995 1.00 52.79 ? 56 MET A C 1 ATOM 440 O O . MET A 1 56 ? 6.602 38.374 10.480 1.00 51.91 ? 56 MET A O 1 ATOM 441 C CB . MET A 1 56 ? 5.753 41.004 11.645 1.00 54.33 ? 56 MET A CB 1 ATOM 442 C CG . MET A 1 56 ? 6.563 41.867 10.748 1.00 55.61 ? 56 MET A CG 1 ATOM 443 S SD . MET A 1 56 ? 7.680 42.967 11.688 1.00 59.71 ? 56 MET A SD 1 ATOM 444 C CE . MET A 1 56 ? 6.514 44.132 12.204 1.00 56.30 ? 56 MET A CE 1 ATOM 445 N N . THR A 1 57 ? 5.491 39.251 8.687 1.00 51.72 ? 57 THR A N 1 ATOM 446 C CA . THR A 1 57 ? 6.015 38.266 7.722 1.00 52.94 ? 57 THR A CA 1 ATOM 447 C C . THR A 1 57 ? 6.594 38.912 6.485 1.00 52.57 ? 57 THR A C 1 ATOM 448 O O . THR A 1 57 ? 5.984 39.795 5.881 1.00 51.31 ? 57 THR A O 1 ATOM 449 C CB . THR A 1 57 ? 4.893 37.274 7.302 1.00 52.02 ? 57 THR A CB 1 ATOM 450 O OG1 . THR A 1 57 ? 4.370 36.697 8.493 1.00 52.76 ? 57 THR A OG1 1 ATOM 451 C CG2 . THR A 1 57 ? 5.437 36.121 6.394 1.00 50.91 ? 57 THR A CG2 1 ATOM 452 N N . ALA A 1 58 ? 7.786 38.456 6.111 1.00 53.36 ? 58 ALA A N 1 ATOM 453 C CA . ALA A 1 58 ? 8.430 38.876 4.857 1.00 53.19 ? 58 ALA A CA 1 ATOM 454 C C . ALA A 1 58 ? 7.688 38.166 3.731 1.00 52.21 ? 58 ALA A C 1 ATOM 455 O O . ALA A 1 58 ? 7.628 36.943 3.711 1.00 51.88 ? 58 ALA A O 1 ATOM 456 C CB . ALA A 1 58 ? 9.935 38.456 4.824 1.00 51.79 ? 58 ALA A CB 1 ATOM 457 N N . ASN A 1 59 ? 7.121 38.918 2.792 1.00 52.79 ? 59 ASN A N 1 ATOM 458 C CA . ASN A 1 59 ? 6.445 38.313 1.647 1.00 52.74 ? 59 ASN A CA 1 ATOM 459 C C . ASN A 1 59 ? 7.418 37.680 0.638 1.00 52.61 ? 59 ASN A C 1 ATOM 460 O O . ASN A 1 59 ? 7.042 36.849 -0.148 1.00 54.17 ? 59 ASN A O 1 ATOM 461 C CB . ASN A 1 59 ? 5.485 39.307 0.968 1.00 52.92 ? 59 ASN A CB 1 ATOM 462 C CG . ASN A 1 59 ? 4.608 38.655 -0.088 1.00 54.54 ? 59 ASN A CG 1 ATOM 463 O OD1 . ASN A 1 59 ? 3.895 37.671 0.212 1.00 54.51 ? 59 ASN A OD1 1 ATOM 464 N ND2 . ASN A 1 59 ? 4.665 39.170 -1.337 1.00 50.27 ? 59 ASN A ND2 1 ATOM 465 N N . GLY A 1 60 ? 8.674 38.071 0.673 1.00 53.83 ? 60 GLY A N 1 ATOM 466 C CA . GLY A 1 60 ? 9.717 37.381 -0.018 1.00 53.63 ? 60 GLY A CA 1 ATOM 467 C C . GLY A 1 60 ? 11.011 37.798 0.629 1.00 54.27 ? 60 GLY A C 1 ATOM 468 O O . GLY A 1 60 ? 11.040 38.631 1.522 1.00 54.25 ? 60 GLY A O 1 ATOM 469 N N . LEU A 1 61 ? 12.106 37.238 0.186 1.00 55.56 ? 61 LEU A N 1 ATOM 470 C CA . LEU A 1 61 ? 13.354 37.509 0.888 1.00 56.94 ? 61 LEU A CA 1 ATOM 471 C C . LEU A 1 61 ? 14.328 38.352 0.040 1.00 56.93 ? 61 LEU A C 1 ATOM 472 O O . LEU A 1 61 ? 15.519 38.402 0.362 1.00 59.18 ? 61 LEU A O 1 ATOM 473 C CB . LEU A 1 61 ? 13.960 36.175 1.400 1.00 58.92 ? 61 LEU A CB 1 ATOM 474 C CG . LEU A 1 61 ? 13.263 35.412 2.579 1.00 61.65 ? 61 LEU A CG 1 ATOM 475 C CD1 . LEU A 1 61 ? 14.124 34.174 3.026 1.00 65.12 ? 61 LEU A CD1 1 ATOM 476 C CD2 . LEU A 1 61 ? 12.999 36.295 3.839 1.00 62.22 ? 61 LEU A CD2 1 ATOM 477 N N A ASN A 1 62 ? 13.873 38.993 -1.023 0.50 55.51 ? 62 ASN A N 1 ATOM 478 N N B ASN A 1 62 ? 13.770 39.008 -0.995 0.50 56.37 ? 62 ASN A N 1 ATOM 479 C CA A ASN A 1 62 ? 14.767 39.894 -1.777 0.50 54.34 ? 62 ASN A CA 1 ATOM 480 C CA B ASN A 1 62 ? 14.452 39.968 -1.916 0.50 55.89 ? 62 ASN A CA 1 ATOM 481 C C A ASN A 1 62 ? 14.334 41.359 -1.603 0.50 53.29 ? 62 ASN A C 1 ATOM 482 C C B ASN A 1 62 ? 14.283 41.428 -1.530 0.50 54.19 ? 62 ASN A C 1 ATOM 483 O O A ASN A 1 62 ? 13.210 41.651 -1.234 0.50 51.75 ? 62 ASN A O 1 ATOM 484 O O B ASN A 1 62 ? 13.245 41.811 -1.002 0.50 52.82 ? 62 ASN A O 1 ATOM 485 C CB A ASN A 1 62 ? 14.803 39.514 -3.261 0.50 53.68 ? 62 ASN A CB 1 ATOM 486 C CB B ASN A 1 62 ? 13.821 39.908 -3.323 0.50 56.40 ? 62 ASN A CB 1 ATOM 487 C CG A ASN A 1 62 ? 13.391 39.522 -3.916 0.50 52.07 ? 62 ASN A CG 1 ATOM 488 C CG B ASN A 1 62 ? 14.163 38.642 -4.071 0.50 59.36 ? 62 ASN A CG 1 ATOM 489 O OD1 A ASN A 1 62 ? 12.364 39.380 -3.225 0.50 50.45 ? 62 ASN A OD1 1 ATOM 490 O OD1 B ASN A 1 62 ? 15.204 38.034 -3.835 0.50 61.10 ? 62 ASN A OD1 1 ATOM 491 N ND2 A ASN A 1 62 ? 13.359 39.632 -5.252 0.50 50.34 ? 62 ASN A ND2 1 ATOM 492 N ND2 B ASN A 1 62 ? 13.288 38.247 -4.995 0.50 61.14 ? 62 ASN A ND2 1 ATOM 493 N N . ASN A 1 63 ? 15.266 42.260 -1.865 1.00 52.61 ? 63 ASN A N 1 ATOM 494 C CA . ASN A 1 63 ? 15.091 43.695 -1.685 1.00 52.84 ? 63 ASN A CA 1 ATOM 495 C C . ASN A 1 63 ? 13.844 44.218 -2.381 1.00 51.91 ? 63 ASN A C 1 ATOM 496 O O . ASN A 1 63 ? 13.573 43.881 -3.569 1.00 52.25 ? 63 ASN A O 1 ATOM 497 C CB . ASN A 1 63 ? 16.297 44.421 -2.247 1.00 52.16 ? 63 ASN A CB 1 ATOM 498 C CG . ASN A 1 63 ? 16.149 45.898 -2.218 1.00 50.64 ? 63 ASN A CG 1 ATOM 499 O OD1 . ASN A 1 63 ? 16.154 46.502 -1.159 1.00 50.93 ? 63 ASN A OD1 1 ATOM 500 N ND2 . ASN A 1 63 ? 15.981 46.504 -3.423 1.00 47.14 ? 63 ASN A ND2 1 ATOM 501 N N . GLY A 1 64 ? 13.107 45.035 -1.644 1.00 51.68 ? 64 GLY A N 1 ATOM 502 C CA . GLY A 1 64 ? 11.841 45.607 -2.147 1.00 51.67 ? 64 GLY A CA 1 ATOM 503 C C . GLY A 1 64 ? 10.580 44.825 -1.864 1.00 52.79 ? 64 GLY A C 1 ATOM 504 O O . GLY A 1 64 ? 9.493 45.222 -2.310 1.00 53.16 ? 64 GLY A O 1 ATOM 505 N N A SER A 1 65 ? 10.717 43.716 -1.131 0.50 52.10 ? 65 SER A N 1 ATOM 506 N N B SER A 1 65 ? 10.687 43.695 -1.185 0.50 53.67 ? 65 SER A N 1 ATOM 507 C CA A SER A 1 65 ? 9.569 42.860 -0.765 0.50 50.14 ? 65 SER A CA 1 ATOM 508 C CA B SER A 1 65 ? 9.490 42.894 -0.932 0.50 53.22 ? 65 SER A CA 1 ATOM 509 C C A SER A 1 65 ? 8.604 43.543 0.191 0.50 50.99 ? 65 SER A C 1 ATOM 510 C C B SER A 1 65 ? 8.618 43.497 0.163 0.50 52.64 ? 65 SER A C 1 ATOM 511 O O A SER A 1 65 ? 8.979 44.395 0.992 0.50 50.50 ? 65 SER A O 1 ATOM 512 O O B SER A 1 65 ? 9.075 44.262 1.013 0.50 52.41 ? 65 SER A O 1 ATOM 513 C CB A SER A 1 65 ? 10.034 41.542 -0.146 0.50 49.66 ? 65 SER A CB 1 ATOM 514 C CB B SER A 1 65 ? 9.878 41.464 -0.619 0.50 53.81 ? 65 SER A CB 1 ATOM 515 O OG A SER A 1 65 ? 10.898 40.783 -0.985 0.50 41.92 ? 65 SER A OG 1 ATOM 516 O OG B SER A 1 65 ? 10.567 41.431 0.588 0.50 59.45 ? 65 SER A OG 1 ATOM 517 N N . ASN A 1 66 ? 7.343 43.156 0.112 1.00 51.20 ? 66 ASN A N 1 ATOM 518 C CA . ASN A 1 66 ? 6.375 43.634 1.053 1.00 52.01 ? 66 ASN A CA 1 ATOM 519 C C . ASN A 1 66 ? 6.547 42.904 2.405 1.00 52.54 ? 66 ASN A C 1 ATOM 520 O O . ASN A 1 66 ? 6.958 41.731 2.438 1.00 52.61 ? 66 ASN A O 1 ATOM 521 C CB . ASN A 1 66 ? 4.944 43.330 0.529 1.00 51.39 ? 66 ASN A CB 1 ATOM 522 C CG . ASN A 1 66 ? 4.551 44.211 -0.611 1.00 51.37 ? 66 ASN A CG 1 ATOM 523 O OD1 . ASN A 1 66 ? 4.665 43.808 -1.775 1.00 53.12 ? 66 ASN A OD1 1 ATOM 524 N ND2 . ASN A 1 66 ? 4.099 45.423 -0.300 1.00 54.77 ? 66 ASN A ND2 1 ATOM 525 N N . ILE A 1 67 ? 6.191 43.603 3.471 1.00 52.17 ? 67 ILE A N 1 ATOM 526 C CA . ILE A 1 67 ? 5.955 43.004 4.792 1.00 51.79 ? 67 ILE A CA 1 ATOM 527 C C . ILE A 1 67 ? 4.435 42.943 5.018 1.00 51.70 ? 67 ILE A C 1 ATOM 528 O O . ILE A 1 67 ? 3.720 43.933 4.758 1.00 50.07 ? 67 ILE A O 1 ATOM 529 C CB . ILE A 1 67 ? 6.659 43.796 5.858 1.00 52.34 ? 67 ILE A CB 1 ATOM 530 C CG1 . ILE A 1 67 ? 8.216 43.816 5.542 1.00 54.28 ? 67 ILE A CG1 1 ATOM 531 C CG2 . ILE A 1 67 ? 6.402 43.215 7.243 1.00 51.34 ? 67 ILE A CG2 1 ATOM 532 C CD1 . ILE A 1 67 ? 8.951 44.698 6.474 1.00 55.01 ? 67 ILE A CD1 1 ATOM 533 N N . VAL A 1 68 ? 3.973 41.777 5.450 1.00 50.38 ? 68 VAL A N 1 ATOM 534 C CA . VAL A 1 68 ? 2.544 41.482 5.562 1.00 51.14 ? 68 VAL A CA 1 ATOM 535 C C . VAL A 1 68 ? 2.248 40.763 6.898 1.00 51.18 ? 68 VAL A C 1 ATOM 536 O O . VAL A 1 68 ? 3.135 40.320 7.573 1.00 50.99 ? 68 VAL A O 1 ATOM 537 C CB . VAL A 1 68 ? 2.073 40.586 4.347 1.00 50.42 ? 68 VAL A CB 1 ATOM 538 C CG1 . VAL A 1 68 ? 2.391 41.301 2.957 1.00 49.34 ? 68 VAL A CG1 1 ATOM 539 C CG2 . VAL A 1 68 ? 2.686 39.134 4.393 1.00 48.26 ? 68 VAL A CG2 1 ATOM 540 N N . ILE A 1 69 ? 0.980 40.654 7.271 1.00 51.82 ? 69 ILE A N 1 ATOM 541 C CA . ILE A 1 69 ? 0.567 39.779 8.339 1.00 50.68 ? 69 ILE A CA 1 ATOM 542 C C . ILE A 1 69 ? 0.321 38.364 7.750 1.00 51.03 ? 69 ILE A C 1 ATOM 543 O O . ILE A 1 69 ? -0.125 38.193 6.584 1.00 50.29 ? 69 ILE A O 1 ATOM 544 C CB . ILE A 1 69 ? -0.713 40.380 9.050 1.00 51.98 ? 69 ILE A CB 1 ATOM 545 C CG1 . ILE A 1 69 ? -0.848 39.864 10.493 1.00 53.72 ? 69 ILE A CG1 1 ATOM 546 C CG2 . ILE A 1 69 ? -2.035 40.148 8.201 1.00 49.11 ? 69 ILE A CG2 1 ATOM 547 C CD1 . ILE A 1 69 ? 0.205 40.413 11.453 1.00 54.57 ? 69 ILE A CD1 1 ATOM 548 N N . PHE A 1 70 ? 0.608 37.327 8.530 1.00 50.49 ? 70 PHE A N 1 ATOM 549 C CA . PHE A 1 70 ? 0.482 35.982 8.021 1.00 50.33 ? 70 PHE A CA 1 ATOM 550 C C . PHE A 1 70 ? 0.441 34.998 9.152 1.00 50.72 ? 70 PHE A C 1 ATOM 551 O O . PHE A 1 70 ? 1.112 35.169 10.165 1.00 49.68 ? 70 PHE A O 1 ATOM 552 C CB . PHE A 1 70 ? 1.645 35.624 7.064 1.00 51.18 ? 70 PHE A CB 1 ATOM 553 C CG . PHE A 1 70 ? 1.232 34.771 5.872 1.00 49.99 ? 70 PHE A CG 1 ATOM 554 C CD1 . PHE A 1 70 ? 1.081 35.341 4.601 1.00 50.67 ? 70 PHE A CD1 1 ATOM 555 C CD2 . PHE A 1 70 ? 1.113 33.386 5.989 1.00 52.36 ? 70 PHE A CD2 1 ATOM 556 C CE1 . PHE A 1 70 ? 0.745 34.544 3.492 1.00 50.90 ? 70 PHE A CE1 1 ATOM 557 C CE2 . PHE A 1 70 ? 0.740 32.599 4.892 1.00 52.73 ? 70 PHE A CE2 1 ATOM 558 C CZ . PHE A 1 70 ? 0.553 33.177 3.646 1.00 52.09 ? 70 PHE A CZ 1 ATOM 559 N N . ASN A 1 71 ? -0.395 33.986 8.954 1.00 49.88 ? 71 ASN A N 1 ATOM 560 C CA . ASN A 1 71 ? -0.452 32.855 9.816 1.00 52.02 ? 71 ASN A CA 1 ATOM 561 C C . ASN A 1 71 ? 0.976 32.350 10.157 1.00 52.19 ? 71 ASN A C 1 ATOM 562 O O . ASN A 1 71 ? 1.745 31.991 9.274 1.00 51.04 ? 71 ASN A O 1 ATOM 563 C CB . ASN A 1 71 ? -1.232 31.797 9.112 1.00 51.42 ? 71 ASN A CB 1 ATOM 564 C CG . ASN A 1 71 ? -1.528 30.617 9.983 1.00 53.93 ? 71 ASN A CG 1 ATOM 565 O OD1 . ASN A 1 71 ? -0.634 29.889 10.435 1.00 52.90 ? 71 ASN A OD1 1 ATOM 566 N ND2 . ASN A 1 71 ? -2.816 30.402 10.196 1.00 57.72 ? 71 ASN A ND2 1 ATOM 567 N N . CYS A 1 72 ? 1.289 32.314 11.453 1.00 53.81 ? 72 CYS A N 1 ATOM 568 C CA . CYS A 1 72 ? 2.591 31.858 11.936 1.00 55.46 ? 72 CYS A CA 1 ATOM 569 C C . CYS A 1 72 ? 2.963 30.432 11.582 1.00 55.35 ? 72 CYS A C 1 ATOM 570 O O . CYS A 1 72 ? 4.144 30.137 11.341 1.00 55.36 ? 72 CYS A O 1 ATOM 571 C CB . CYS A 1 72 ? 2.690 32.038 13.464 1.00 56.66 ? 72 CYS A CB 1 ATOM 572 S SG . CYS A 1 72 ? 2.524 33.796 13.940 1.00 63.19 ? 72 CYS A SG 1 ATOM 573 N N . SER A 1 73 ? 2.004 29.520 11.576 1.00 55.12 ? 73 SER A N 1 ATOM 574 C CA . SER A 1 73 ? 2.369 28.152 11.336 1.00 55.98 ? 73 SER A CA 1 ATOM 575 C C . SER A 1 73 ? 2.539 27.864 9.842 1.00 55.93 ? 73 SER A C 1 ATOM 576 O O . SER A 1 73 ? 3.398 27.067 9.469 1.00 56.15 ? 73 SER A O 1 ATOM 577 C CB . SER A 1 73 ? 1.445 27.180 12.068 1.00 56.44 ? 73 SER A CB 1 ATOM 578 O OG . SER A 1 73 ? 0.107 27.287 11.615 1.00 62.19 ? 73 SER A OG 1 ATOM 579 N N . THR A 1 74 ? 1.819 28.561 8.977 1.00 55.00 ? 74 THR A N 1 ATOM 580 C CA . THR A 1 74 ? 1.901 28.254 7.541 1.00 55.34 ? 74 THR A CA 1 ATOM 581 C C . THR A 1 74 ? 2.967 29.078 6.817 1.00 54.72 ? 74 THR A C 1 ATOM 582 O O . THR A 1 74 ? 3.490 28.670 5.792 1.00 54.16 ? 74 THR A O 1 ATOM 583 C CB . THR A 1 74 ? 0.517 28.356 6.844 1.00 55.36 ? 74 THR A CB 1 ATOM 584 O OG1 . THR A 1 74 ? 0.022 29.656 6.987 1.00 58.21 ? 74 THR A OG1 1 ATOM 585 C CG2 . THR A 1 74 ? -0.502 27.350 7.474 1.00 56.64 ? 74 THR A CG2 1 ATOM 586 N N . ALA A 1 75 ? 3.328 30.229 7.373 1.00 54.11 ? 75 ALA A N 1 ATOM 587 C CA . ALA A 1 75 ? 4.426 31.036 6.805 1.00 54.00 ? 75 ALA A CA 1 ATOM 588 C C . ALA A 1 75 ? 5.777 30.283 6.960 1.00 53.91 ? 75 ALA A C 1 ATOM 589 O O . ALA A 1 75 ? 5.912 29.458 7.848 1.00 53.56 ? 75 ALA A O 1 ATOM 590 C CB . ALA A 1 75 ? 4.482 32.390 7.486 1.00 52.23 ? 75 ALA A CB 1 ATOM 591 N N . ALA A 1 76 ? 6.751 30.567 6.090 1.00 54.65 ? 76 ALA A N 1 ATOM 592 C CA . ALA A 1 76 ? 8.102 29.978 6.201 1.00 54.26 ? 76 ALA A CA 1 ATOM 593 C C . ALA A 1 76 ? 8.790 30.517 7.443 1.00 53.95 ? 76 ALA A C 1 ATOM 594 O O . ALA A 1 76 ? 8.704 31.699 7.772 1.00 52.09 ? 76 ALA A O 1 ATOM 595 C CB . ALA A 1 76 ? 8.953 30.279 4.966 1.00 55.18 ? 76 ALA A CB 1 ATOM 596 N N . GLU A 1 77 ? 9.512 29.652 8.116 1.00 53.54 ? 77 GLU A N 1 ATOM 597 C CA . GLU A 1 77 ? 10.167 30.040 9.364 1.00 54.13 ? 77 GLU A CA 1 ATOM 598 C C . GLU A 1 77 ? 11.133 31.248 9.112 1.00 52.75 ? 77 GLU A C 1 ATOM 599 O O . GLU A 1 77 ? 11.224 32.194 9.901 1.00 51.51 ? 77 GLU A O 1 ATOM 600 C CB . GLU A 1 77 ? 10.857 28.787 9.902 1.00 56.33 ? 77 GLU A CB 1 ATOM 601 C CG . GLU A 1 77 ? 11.128 28.786 11.357 1.00 62.49 ? 77 GLU A CG 1 ATOM 602 C CD . GLU A 1 77 ? 9.906 28.446 12.285 1.00 68.01 ? 77 GLU A CD 1 ATOM 603 O OE1 . GLU A 1 77 ? 8.710 28.364 11.847 1.00 66.13 ? 77 GLU A OE1 1 ATOM 604 O OE2 . GLU A 1 77 ? 10.203 28.294 13.509 1.00 70.32 ? 77 GLU A OE2 1 ATOM 605 N N . ASN A 1 78 ? 11.800 31.254 7.966 1.00 52.33 ? 78 ASN A N 1 ATOM 606 C CA . ASN A 1 78 ? 12.760 32.321 7.661 1.00 52.91 ? 78 ASN A CA 1 ATOM 607 C C . ASN A 1 78 ? 12.065 33.662 7.505 1.00 51.22 ? 78 ASN A C 1 ATOM 608 O O . ASN A 1 78 ? 12.677 34.702 7.705 1.00 51.73 ? 78 ASN A O 1 ATOM 609 C CB . ASN A 1 78 ? 13.541 32.028 6.372 1.00 53.76 ? 78 ASN A CB 1 ATOM 610 C CG . ASN A 1 78 ? 14.547 30.927 6.538 1.00 57.34 ? 78 ASN A CG 1 ATOM 611 O OD1 . ASN A 1 78 ? 14.881 30.523 7.665 1.00 61.50 ? 78 ASN A OD1 1 ATOM 612 N ND2 . ASN A 1 78 ? 15.066 30.430 5.408 1.00 60.92 ? 78 ASN A ND2 1 ATOM 613 N N . ALA A 1 79 ? 10.791 33.635 7.137 1.00 50.69 ? 79 ALA A N 1 ATOM 614 C CA . ALA A 1 79 ? 10.018 34.834 6.844 1.00 51.65 ? 79 ALA A CA 1 ATOM 615 C C . ALA A 1 79 ? 9.485 35.551 8.086 1.00 50.97 ? 79 ALA A C 1 ATOM 616 O O . ALA A 1 79 ? 9.061 36.731 8.005 1.00 50.65 ? 79 ALA A O 1 ATOM 617 C CB . ALA A 1 79 ? 8.778 34.447 5.915 1.00 51.29 ? 79 ALA A CB 1 ATOM 618 N N . ILE A 1 80 ? 9.403 34.803 9.184 1.00 49.83 ? 80 ILE A N 1 ATOM 619 C CA . ILE A 1 80 ? 8.728 35.257 10.406 1.00 51.23 ? 80 ILE A CA 1 ATOM 620 C C . ILE A 1 80 ? 9.648 35.543 11.605 1.00 50.96 ? 80 ILE A C 1 ATOM 621 O O . ILE A 1 80 ? 9.168 35.941 12.650 1.00 52.08 ? 80 ILE A O 1 ATOM 622 C CB . ILE A 1 80 ? 7.582 34.309 10.861 1.00 50.74 ? 80 ILE A CB 1 ATOM 623 C CG1 . ILE A 1 80 ? 8.102 32.911 11.258 1.00 51.80 ? 80 ILE A CG1 1 ATOM 624 C CG2 . ILE A 1 80 ? 6.475 34.230 9.780 1.00 50.49 ? 80 ILE A CG2 1 ATOM 625 C CD1 . ILE A 1 80 ? 7.082 32.038 11.931 1.00 52.29 ? 80 ILE A CD1 1 ATOM 626 N N . LYS A 1 81 ? 10.951 35.375 11.427 1.00 51.32 ? 81 LYS A N 1 ATOM 627 C CA . LYS A 1 81 ? 11.919 35.619 12.460 1.00 52.99 ? 81 LYS A CA 1 ATOM 628 C C . LYS A 1 81 ? 12.624 36.968 12.198 1.00 52.75 ? 81 LYS A C 1 ATOM 629 O O . LYS A 1 81 ? 13.015 37.291 11.070 1.00 52.79 ? 81 LYS A O 1 ATOM 630 C CB . LYS A 1 81 ? 12.888 34.436 12.570 1.00 53.47 ? 81 LYS A CB 1 ATOM 631 C CG . LYS A 1 81 ? 12.186 33.181 13.124 1.00 54.25 ? 81 LYS A CG 1 ATOM 632 C CD . LYS A 1 81 ? 13.162 32.028 13.253 1.00 58.44 ? 81 LYS A CD 1 ATOM 633 C CE . LYS A 1 81 ? 12.561 30.850 14.095 1.00 63.05 ? 81 LYS A CE 1 ATOM 634 N NZ . LYS A 1 81 ? 11.039 30.713 13.878 1.00 69.20 ? 81 LYS A NZ 1 ATOM 635 N N . TRP A 1 82 ? 12.711 37.755 13.271 1.00 52.64 ? 82 TRP A N 1 ATOM 636 C CA . TRP A 1 82 ? 13.207 39.130 13.265 1.00 52.69 ? 82 TRP A CA 1 ATOM 637 C C . TRP A 1 82 ? 14.146 39.350 14.441 1.00 52.87 ? 82 TRP A C 1 ATOM 638 O O . TRP A 1 82 ? 13.999 38.687 15.453 1.00 53.27 ? 82 TRP A O 1 ATOM 639 C CB . TRP A 1 82 ? 12.029 40.088 13.426 1.00 54.24 ? 82 TRP A CB 1 ATOM 640 C CG . TRP A 1 82 ? 10.997 39.928 12.315 1.00 54.27 ? 82 TRP A CG 1 ATOM 641 C CD1 . TRP A 1 82 ? 9.921 39.077 12.296 1.00 55.69 ? 82 TRP A CD1 1 ATOM 642 C CD2 . TRP A 1 82 ? 11.040 40.550 11.033 1.00 52.96 ? 82 TRP A CD2 1 ATOM 643 N NE1 . TRP A 1 82 ? 9.298 39.145 11.059 1.00 54.49 ? 82 TRP A NE1 1 ATOM 644 C CE2 . TRP A 1 82 ? 9.969 40.038 10.278 1.00 53.87 ? 82 TRP A CE2 1 ATOM 645 C CE3 . TRP A 1 82 ? 11.884 41.498 10.451 1.00 54.96 ? 82 TRP A CE3 1 ATOM 646 C CZ2 . TRP A 1 82 ? 9.706 40.460 8.987 1.00 56.13 ? 82 TRP A CZ2 1 ATOM 647 C CZ3 . TRP A 1 82 ? 11.647 41.898 9.183 1.00 56.58 ? 82 TRP A CZ3 1 ATOM 648 C CH2 . TRP A 1 82 ? 10.537 41.393 8.457 1.00 55.68 ? 82 TRP A CH2 1 ATOM 649 N N A GLU A 1 83 ? 15.115 40.251 14.304 0.50 52.63 ? 83 GLU A N 1 ATOM 650 N N B GLU A 1 83 ? 15.086 40.283 14.292 0.50 53.27 ? 83 GLU A N 1 ATOM 651 C CA A GLU A 1 83 ? 15.794 40.805 15.467 0.50 52.87 ? 83 GLU A CA 1 ATOM 652 C CA B GLU A 1 83 ? 15.965 40.744 15.362 0.50 53.18 ? 83 GLU A CA 1 ATOM 653 C C A GLU A 1 83 ? 15.782 42.314 15.488 0.50 52.41 ? 83 GLU A C 1 ATOM 654 C C B GLU A 1 83 ? 15.835 42.290 15.474 0.50 52.68 ? 83 GLU A C 1 ATOM 655 O O A GLU A 1 83 ? 15.493 42.985 14.492 0.50 52.57 ? 83 GLU A O 1 ATOM 656 O O B GLU A 1 83 ? 15.504 42.967 14.495 0.50 52.81 ? 83 GLU A O 1 ATOM 657 C CB A GLU A 1 83 ? 17.213 40.249 15.589 0.50 53.03 ? 83 GLU A CB 1 ATOM 658 C CB B GLU A 1 83 ? 17.399 40.285 15.026 0.50 53.69 ? 83 GLU A CB 1 ATOM 659 C CG A GLU A 1 83 ? 17.357 39.312 16.769 0.50 55.43 ? 83 GLU A CG 1 ATOM 660 C CG B GLU A 1 83 ? 18.353 40.091 16.194 0.50 55.16 ? 83 GLU A CG 1 ATOM 661 C CD A GLU A 1 83 ? 17.655 40.027 18.112 0.50 53.21 ? 83 GLU A CD 1 ATOM 662 C CD B GLU A 1 83 ? 18.551 38.598 16.619 0.50 58.03 ? 83 GLU A CD 1 ATOM 663 O OE1 A GLU A 1 83 ? 16.935 40.984 18.554 0.50 50.37 ? 83 GLU A OE1 1 ATOM 664 O OE1 B GLU A 1 83 ? 18.739 37.663 15.778 0.50 53.64 ? 83 GLU A OE1 1 ATOM 665 O OE2 A GLU A 1 83 ? 18.614 39.571 18.752 0.50 59.79 ? 83 GLU A OE2 1 ATOM 666 O OE2 B GLU A 1 83 ? 18.476 38.379 17.842 0.50 58.25 ? 83 GLU A OE2 1 ATOM 667 N N . VAL A 1 84 ? 16.075 42.838 16.660 1.00 53.02 ? 84 VAL A N 1 ATOM 668 C CA . VAL A 1 84 ? 16.007 44.272 16.910 1.00 53.71 ? 84 VAL A CA 1 ATOM 669 C C . VAL A 1 84 ? 17.389 44.760 17.405 1.00 54.26 ? 84 VAL A C 1 ATOM 670 O O . VAL A 1 84 ? 17.653 44.787 18.613 1.00 54.51 ? 84 VAL A O 1 ATOM 671 C CB . VAL A 1 84 ? 14.843 44.601 17.933 1.00 55.95 ? 84 VAL A CB 1 ATOM 672 C CG1 . VAL A 1 84 ? 14.716 46.103 18.150 1.00 58.22 ? 84 VAL A CG1 1 ATOM 673 C CG2 . VAL A 1 84 ? 13.536 44.091 17.409 1.00 54.86 ? 84 VAL A CG2 1 ATOM 674 N N . PRO A 1 85 ? 18.304 45.088 16.466 1.00 52.79 ? 85 PRO A N 1 ATOM 675 C CA . PRO A 1 85 ? 19.609 45.594 16.835 1.00 53.85 ? 85 PRO A CA 1 ATOM 676 C C . PRO A 1 85 ? 19.540 46.879 17.654 1.00 53.66 ? 85 PRO A C 1 ATOM 677 O O . PRO A 1 85 ? 18.515 47.614 17.616 1.00 53.26 ? 85 PRO A O 1 ATOM 678 C CB . PRO A 1 85 ? 20.260 45.883 15.464 1.00 54.40 ? 85 PRO A CB 1 ATOM 679 C CG . PRO A 1 85 ? 19.605 44.950 14.563 1.00 54.59 ? 85 PRO A CG 1 ATOM 680 C CD . PRO A 1 85 ? 18.191 44.965 15.002 1.00 53.01 ? 85 PRO A CD 1 ATOM 681 N N . ILE A 1 86 ? 20.608 47.166 18.357 1.00 50.80 ? 86 ILE A N 1 ATOM 682 C CA . ILE A 1 86 ? 20.599 48.289 19.268 1.00 53.30 ? 86 ILE A CA 1 ATOM 683 C C . ILE A 1 86 ? 20.440 49.619 18.566 1.00 53.75 ? 86 ILE A C 1 ATOM 684 O O . ILE A 1 86 ? 19.981 50.552 19.168 1.00 53.62 ? 86 ILE A O 1 ATOM 685 C CB . ILE A 1 86 ? 21.824 48.348 20.222 1.00 52.73 ? 86 ILE A CB 1 ATOM 686 C CG1 . ILE A 1 86 ? 23.127 48.637 19.473 1.00 52.81 ? 86 ILE A CG1 1 ATOM 687 C CG2 . ILE A 1 86 ? 21.919 47.056 21.120 1.00 56.24 ? 86 ILE A CG2 1 ATOM 688 C CD1 . ILE A 1 86 ? 24.344 48.961 20.378 1.00 55.56 ? 86 ILE A CD1 1 ATOM 689 N N . ASP A 1 87 ? 20.777 49.726 17.275 1.00 54.29 ? 87 ASP A N 1 ATOM 690 C CA . ASP A 1 87 ? 20.696 51.030 16.610 1.00 55.06 ? 87 ASP A CA 1 ATOM 691 C C . ASP A 1 87 ? 19.310 51.462 16.076 1.00 55.46 ? 87 ASP A C 1 ATOM 692 O O . ASP A 1 87 ? 19.167 52.536 15.494 1.00 57.33 ? 87 ASP A O 1 ATOM 693 C CB . ASP A 1 87 ? 21.731 51.113 15.502 1.00 56.87 ? 87 ASP A CB 1 ATOM 694 C CG . ASP A 1 87 ? 21.403 50.238 14.299 1.00 56.30 ? 87 ASP A CG 1 ATOM 695 O OD1 . ASP A 1 87 ? 22.273 50.286 13.423 1.00 58.45 ? 87 ASP A OD1 1 ATOM 696 O OD2 . ASP A 1 87 ? 20.378 49.520 14.198 1.00 55.03 ? 87 ASP A OD2 1 ATOM 697 N N . GLY A 1 88 ? 18.304 50.646 16.323 1.00 53.54 ? 88 GLY A N 1 ATOM 698 C CA . GLY A 1 88 ? 16.957 50.918 15.906 1.00 54.14 ? 88 GLY A CA 1 ATOM 699 C C . GLY A 1 88 ? 16.506 50.254 14.627 1.00 53.67 ? 88 GLY A C 1 ATOM 700 O O . GLY A 1 88 ? 15.363 50.445 14.244 1.00 55.06 ? 88 GLY A O 1 ATOM 701 N N . SER A 1 89 ? 17.330 49.405 14.011 1.00 53.14 ? 89 SER A N 1 ATOM 702 C CA . SER A 1 89 ? 16.894 48.664 12.834 1.00 53.29 ? 89 SER A CA 1 ATOM 703 C C . SER A 1 89 ? 15.996 47.505 13.321 1.00 52.89 ? 89 SER A C 1 ATOM 704 O O . SER A 1 89 ? 16.035 47.095 14.502 1.00 51.56 ? 89 SER A O 1 ATOM 705 C CB . SER A 1 89 ? 18.065 48.066 12.078 1.00 55.00 ? 89 SER A CB 1 ATOM 706 O OG . SER A 1 89 ? 19.011 49.071 11.785 1.00 58.91 ? 89 SER A OG 1 ATOM 707 N N . ILE A 1 90 ? 15.140 47.050 12.436 1.00 52.89 ? 90 ILE A N 1 ATOM 708 C CA . ILE A 1 90 ? 14.403 45.790 12.608 1.00 53.03 ? 90 ILE A CA 1 ATOM 709 C C . ILE A 1 90 ? 14.783 44.912 11.413 1.00 53.63 ? 90 ILE A C 1 ATOM 710 O O . ILE A 1 90 ? 14.521 45.248 10.277 1.00 52.57 ? 90 ILE A O 1 ATOM 711 C CB . ILE A 1 90 ? 12.919 45.979 12.758 1.00 53.98 ? 90 ILE A CB 1 ATOM 712 C CG1 . ILE A 1 90 ? 12.638 46.690 14.106 1.00 53.33 ? 90 ILE A CG1 1 ATOM 713 C CG2 . ILE A 1 90 ? 12.168 44.556 12.717 1.00 52.56 ? 90 ILE A CG2 1 ATOM 714 C CD1 . ILE A 1 90 ? 11.160 47.140 14.316 1.00 52.68 ? 90 ILE A CD1 1 ATOM 715 N N . ILE A 1 91 ? 15.529 43.857 11.700 1.00 53.93 ? 91 ILE A N 1 ATOM 716 C CA . ILE A 1 91 ? 16.143 43.043 10.660 1.00 54.02 ? 91 ILE A CA 1 ATOM 717 C C . ILE A 1 91 ? 15.514 41.646 10.549 1.00 53.77 ? 91 ILE A C 1 ATOM 718 O O . ILE A 1 91 ? 15.177 41.038 11.565 1.00 51.26 ? 91 ILE A O 1 ATOM 719 C CB . ILE A 1 91 ? 17.630 42.958 10.880 1.00 53.48 ? 91 ILE A CB 1 ATOM 720 C CG1 . ILE A 1 91 ? 18.339 42.228 9.727 1.00 54.89 ? 91 ILE A CG1 1 ATOM 721 C CG2 . ILE A 1 91 ? 18.027 42.254 12.245 1.00 53.57 ? 91 ILE A CG2 1 ATOM 722 C CD1 . ILE A 1 91 ? 19.887 42.401 9.795 1.00 56.87 ? 91 ILE A CD1 1 ATOM 723 N N . ASN A 1 92 ? 15.417 41.147 9.316 1.00 52.88 ? 92 ASN A N 1 ATOM 724 C CA . ASN A 1 92 ? 15.104 39.741 9.069 1.00 53.39 ? 92 ASN A CA 1 ATOM 725 C C . ASN A 1 92 ? 16.437 39.019 8.929 1.00 53.20 ? 92 ASN A C 1 ATOM 726 O O . ASN A 1 92 ? 17.082 39.184 7.902 1.00 54.77 ? 92 ASN A O 1 ATOM 727 C CB . ASN A 1 92 ? 14.249 39.623 7.799 1.00 54.25 ? 92 ASN A CB 1 ATOM 728 C CG . ASN A 1 92 ? 13.920 38.167 7.421 1.00 54.73 ? 92 ASN A CG 1 ATOM 729 O OD1 . ASN A 1 92 ? 14.675 37.515 6.706 1.00 57.81 ? 92 ASN A OD1 1 ATOM 730 N ND2 . ASN A 1 92 ? 12.785 37.684 7.893 1.00 56.07 ? 92 ASN A ND2 1 ATOM 731 N N . PRO A 1 93 ? 16.857 38.227 9.930 1.00 52.20 ? 93 PRO A N 1 ATOM 732 C CA . PRO A 1 93 ? 18.223 37.667 9.868 1.00 54.34 ? 93 PRO A CA 1 ATOM 733 C C . PRO A 1 93 ? 18.441 36.712 8.713 1.00 54.25 ? 93 PRO A C 1 ATOM 734 O O . PRO A 1 93 ? 19.577 36.591 8.249 1.00 53.60 ? 93 PRO A O 1 ATOM 735 C CB . PRO A 1 93 ? 18.428 36.946 11.219 1.00 53.69 ? 93 PRO A CB 1 ATOM 736 C CG . PRO A 1 93 ? 17.270 37.442 12.082 1.00 55.37 ? 93 PRO A CG 1 ATOM 737 C CD . PRO A 1 93 ? 16.167 37.889 11.174 1.00 52.87 ? 93 PRO A CD 1 ATOM 738 N N . SER A 1 94 ? 17.383 36.072 8.223 1.00 54.28 ? 94 SER A N 1 ATOM 739 C CA . SER A 1 94 ? 17.588 35.099 7.151 1.00 56.14 ? 94 SER A CA 1 ATOM 740 C C . SER A 1 94 ? 18.049 35.843 5.898 1.00 56.66 ? 94 SER A C 1 ATOM 741 O O . SER A 1 94 ? 19.025 35.466 5.272 1.00 57.46 ? 94 SER A O 1 ATOM 742 C CB . SER A 1 94 ? 16.324 34.305 6.837 1.00 56.94 ? 94 SER A CB 1 ATOM 743 O OG . SER A 1 94 ? 16.594 33.400 5.772 1.00 58.69 ? 94 SER A OG 1 ATOM 744 N N . SER A 1 95 ? 17.358 36.915 5.558 1.00 56.48 ? 95 SER A N 1 ATOM 745 C CA . SER A 1 95 ? 17.727 37.690 4.365 1.00 56.28 ? 95 SER A CA 1 ATOM 746 C C . SER A 1 95 ? 18.782 38.751 4.641 1.00 56.50 ? 95 SER A C 1 ATOM 747 O O . SER A 1 95 ? 19.467 39.141 3.731 1.00 57.75 ? 95 SER A O 1 ATOM 748 C CB . SER A 1 95 ? 16.504 38.347 3.784 1.00 56.06 ? 95 SER A CB 1 ATOM 749 O OG . SER A 1 95 ? 16.037 39.365 4.641 1.00 55.26 ? 95 SER A OG 1 ATOM 750 N N . GLY A 1 96 ? 18.918 39.234 5.870 1.00 54.38 ? 96 GLY A N 1 ATOM 751 C CA . GLY A 1 96 ? 19.782 40.383 6.116 1.00 54.81 ? 96 GLY A CA 1 ATOM 752 C C . GLY A 1 96 ? 19.158 41.731 5.765 1.00 54.47 ? 96 GLY A C 1 ATOM 753 O O . GLY A 1 96 ? 19.741 42.803 6.039 1.00 54.69 ? 96 GLY A O 1 ATOM 754 N N . LEU A 1 97 ? 17.943 41.689 5.250 1.00 54.28 ? 97 LEU A N 1 ATOM 755 C CA . LEU A 1 97 ? 17.193 42.915 4.925 1.00 54.49 ? 97 LEU A CA 1 ATOM 756 C C . LEU A 1 97 ? 16.527 43.546 6.144 1.00 54.32 ? 97 LEU A C 1 ATOM 757 O O . LEU A 1 97 ? 16.241 42.869 7.129 1.00 54.95 ? 97 LEU A O 1 ATOM 758 C CB . LEU A 1 97 ? 16.157 42.602 3.857 1.00 54.38 ? 97 LEU A CB 1 ATOM 759 C CG . LEU A 1 97 ? 16.582 42.073 2.488 1.00 58.28 ? 97 LEU A CG 1 ATOM 760 C CD1 . LEU A 1 97 ? 15.403 41.642 1.648 1.00 57.87 ? 97 LEU A CD1 1 ATOM 761 C CD2 . LEU A 1 97 ? 17.425 43.067 1.733 1.00 59.12 ? 97 LEU A CD2 1 ATOM 762 N N . VAL A 1 98 ? 16.180 44.824 6.042 1.00 53.34 ? 98 VAL A N 1 ATOM 763 C CA . VAL A 1 98 ? 15.640 45.538 7.166 1.00 53.19 ? 98 VAL A CA 1 ATOM 764 C C . VAL A 1 98 ? 14.281 46.197 6.847 1.00 52.34 ? 98 VAL A C 1 ATOM 765 O O . VAL A 1 98 ? 13.987 46.654 5.705 1.00 51.51 ? 98 VAL A O 1 ATOM 766 C CB . VAL A 1 98 ? 16.665 46.587 7.744 1.00 52.78 ? 98 VAL A CB 1 ATOM 767 C CG1 . VAL A 1 98 ? 18.033 45.930 8.138 1.00 53.33 ? 98 VAL A CG1 1 ATOM 768 C CG2 . VAL A 1 98 ? 16.821 47.831 6.777 1.00 51.06 ? 98 VAL A CG2 1 ATOM 769 N N . MET A 1 99 ? 13.446 46.271 7.863 1.00 52.81 ? 99 MET A N 1 ATOM 770 C CA . MET A 1 99 ? 12.156 46.910 7.690 1.00 53.88 ? 99 MET A CA 1 ATOM 771 C C . MET A 1 99 ? 12.309 48.415 7.366 1.00 52.74 ? 99 MET A C 1 ATOM 772 O O . MET A 1 99 ? 13.048 49.142 8.037 1.00 51.11 ? 99 MET A O 1 ATOM 773 C CB . MET A 1 99 ? 11.274 46.705 8.922 1.00 54.12 ? 99 MET A CB 1 ATOM 774 C CG . MET A 1 99 ? 9.883 47.234 8.722 1.00 56.10 ? 99 MET A CG 1 ATOM 775 S SD . MET A 1 99 ? 8.617 46.584 9.858 1.00 62.84 ? 99 MET A SD 1 ATOM 776 C CE . MET A 1 99 ? 9.132 47.440 11.250 1.00 50.92 ? 99 MET A CE 1 ATOM 777 N N . THR A 1 100 ? 11.598 48.857 6.338 1.00 52.83 ? 100 THR A N 1 ATOM 778 C CA . THR A 1 100 ? 11.747 50.198 5.733 1.00 53.37 ? 100 THR A CA 1 ATOM 779 C C . THR A 1 100 ? 10.388 50.843 5.497 1.00 53.43 ? 100 THR A C 1 ATOM 780 O O . THR A 1 100 ? 9.428 50.178 4.995 1.00 54.52 ? 100 THR A O 1 ATOM 781 C CB . THR A 1 100 ? 12.508 50.079 4.369 1.00 53.11 ? 100 THR A CB 1 ATOM 782 O OG1 . THR A 1 100 ? 13.712 49.311 4.593 1.00 51.13 ? 100 THR A OG1 1 ATOM 783 C CG2 . THR A 1 100 ? 12.841 51.446 3.750 1.00 51.80 ? 100 THR A CG2 1 ATOM 784 N N . ALA A 1 101 ? 10.282 52.124 5.869 1.00 53.11 ? 101 ALA A N 1 ATOM 785 C CA . ALA A 1 101 ? 9.077 52.937 5.536 1.00 53.98 ? 101 ALA A CA 1 ATOM 786 C C . ALA A 1 101 ? 9.494 53.821 4.343 1.00 54.18 ? 101 ALA A C 1 ATOM 787 O O . ALA A 1 101 ? 10.210 54.857 4.512 1.00 54.66 ? 101 ALA A O 1 ATOM 788 C CB . ALA A 1 101 ? 8.645 53.757 6.754 1.00 51.33 ? 101 ALA A CB 1 ATOM 789 N N . PRO A 1 102 ? 9.193 53.349 3.106 1.00 54.43 ? 102 PRO A N 1 ATOM 790 C CA . PRO A 1 102 ? 9.812 54.002 1.950 1.00 54.83 ? 102 PRO A CA 1 ATOM 791 C C . PRO A 1 102 ? 9.331 55.438 1.685 1.00 54.64 ? 102 PRO A C 1 ATOM 792 O O . PRO A 1 102 ? 10.021 56.196 1.029 1.00 55.04 ? 102 PRO A O 1 ATOM 793 C CB . PRO A 1 102 ? 9.443 53.083 0.798 1.00 54.95 ? 102 PRO A CB 1 ATOM 794 C CG . PRO A 1 102 ? 8.241 52.391 1.240 1.00 56.43 ? 102 PRO A CG 1 ATOM 795 C CD . PRO A 1 102 ? 8.350 52.223 2.709 1.00 53.70 ? 102 PRO A CD 1 ATOM 796 N N A ARG A 1 103 ? 8.188 55.791 2.244 0.50 54.61 ? 103 ARG A N 1 ATOM 797 N N B ARG A 1 103 ? 8.102 55.748 2.111 0.50 54.77 ? 103 ARG A N 1 ATOM 798 C CA A ARG A 1 103 ? 7.700 57.146 2.209 0.50 54.10 ? 103 ARG A CA 1 ATOM 799 C CA B ARG A 1 103 ? 7.508 57.100 2.088 0.50 54.41 ? 103 ARG A CA 1 ATOM 800 C C A ARG A 1 103 ? 7.091 57.502 3.567 0.50 53.85 ? 103 ARG A C 1 ATOM 801 C C B ARG A 1 103 ? 7.116 57.500 3.538 0.50 54.03 ? 103 ARG A C 1 ATOM 802 O O A ARG A 1 103 ? 6.885 56.619 4.414 0.50 52.93 ? 103 ARG A O 1 ATOM 803 O O B ARG A 1 103 ? 7.069 56.630 4.418 0.50 53.27 ? 103 ARG A O 1 ATOM 804 C CB A ARG A 1 103 ? 6.685 57.287 1.092 0.50 54.61 ? 103 ARG A CB 1 ATOM 805 C CB B ARG A 1 103 ? 6.233 57.156 1.216 0.50 54.97 ? 103 ARG A CB 1 ATOM 806 C CG A ARG A 1 103 ? 7.262 57.023 -0.279 0.50 54.91 ? 103 ARG A CG 1 ATOM 807 C CG B ARG A 1 103 ? 6.291 56.681 -0.246 0.50 57.21 ? 103 ARG A CG 1 ATOM 808 C CD A ARG A 1 103 ? 7.001 55.559 -0.749 0.50 55.97 ? 103 ARG A CD 1 ATOM 809 C CD B ARG A 1 103 ? 7.439 57.285 -1.096 0.50 55.91 ? 103 ARG A CD 1 ATOM 810 N NE A ARG A 1 103 ? 7.787 55.323 -1.938 0.50 54.91 ? 103 ARG A NE 1 ATOM 811 N NE B ARG A 1 103 ? 8.056 56.247 -1.929 0.50 57.64 ? 103 ARG A NE 1 ATOM 812 C CZ A ARG A 1 103 ? 7.945 54.178 -2.566 0.50 53.26 ? 103 ARG A CZ 1 ATOM 813 C CZ B ARG A 1 103 ? 9.105 56.394 -2.748 0.50 55.56 ? 103 ARG A CZ 1 ATOM 814 N NH1 A ARG A 1 103 ? 8.776 54.186 -3.604 0.50 60.52 ? 103 ARG A NH1 1 ATOM 815 N NH1 B ARG A 1 103 ? 9.680 57.564 -2.965 0.50 53.56 ? 103 ARG A NH1 1 ATOM 816 N NH2 A ARG A 1 103 ? 7.380 53.057 -2.148 0.50 48.94 ? 103 ARG A NH2 1 ATOM 817 N NH2 B ARG A 1 103 ? 9.538 55.341 -3.401 0.50 55.77 ? 103 ARG A NH2 1 ATOM 818 N N . ALA A 1 104 ? 6.836 58.794 3.784 1.00 53.10 ? 104 ALA A N 1 ATOM 819 C CA . ALA A 1 104 ? 6.412 59.287 5.099 1.00 53.44 ? 104 ALA A CA 1 ATOM 820 C C . ALA A 1 104 ? 4.906 59.196 5.396 1.00 53.82 ? 104 ALA A C 1 ATOM 821 O O . ALA A 1 104 ? 4.485 59.200 6.550 1.00 54.88 ? 104 ALA A O 1 ATOM 822 C CB . ALA A 1 104 ? 6.880 60.721 5.315 1.00 54.28 ? 104 ALA A CB 1 ATOM 823 N N . ALA A 1 105 ? 4.092 59.155 4.368 1.00 53.89 ? 105 ALA A N 1 ATOM 824 C CA . ALA A 1 105 ? 2.643 59.410 4.533 1.00 53.27 ? 105 ALA A CA 1 ATOM 825 C C . ALA A 1 105 ? 1.998 58.300 5.336 1.00 53.73 ? 105 ALA A C 1 ATOM 826 O O . ALA A 1 105 ? 2.409 57.128 5.223 1.00 53.62 ? 105 ALA A O 1 ATOM 827 C CB . ALA A 1 105 ? 1.962 59.524 3.136 1.00 53.95 ? 105 ALA A CB 1 ATOM 828 N N . SER A 1 106 ? 0.968 58.597 6.126 1.00 53.51 ? 106 SER A N 1 ATOM 829 C CA . SER A 1 106 ? 0.172 57.493 6.627 1.00 53.69 ? 106 SER A CA 1 ATOM 830 C C . SER A 1 106 ? -0.350 56.644 5.452 1.00 52.66 ? 106 SER A C 1 ATOM 831 O O . SER A 1 106 ? -0.554 57.134 4.343 1.00 51.02 ? 106 SER A O 1 ATOM 832 C CB . SER A 1 106 ? -0.944 57.974 7.554 1.00 53.56 ? 106 SER A CB 1 ATOM 833 O OG . SER A 1 106 ? -1.737 58.801 6.808 1.00 62.74 ? 106 SER A OG 1 ATOM 834 N N . ARG A 1 107 ? -0.512 55.353 5.720 1.00 52.57 ? 107 ARG A N 1 ATOM 835 C CA . ARG A 1 107 ? -0.890 54.328 4.744 1.00 52.91 ? 107 ARG A CA 1 ATOM 836 C C . ARG A 1 107 ? 0.251 53.841 3.882 1.00 54.04 ? 107 ARG A C 1 ATOM 837 O O . ARG A 1 107 ? 0.035 52.933 3.129 1.00 55.01 ? 107 ARG A O 1 ATOM 838 C CB . ARG A 1 107 ? -2.096 54.737 3.847 1.00 53.25 ? 107 ARG A CB 1 ATOM 839 C CG . ARG A 1 107 ? -3.225 55.385 4.526 1.00 52.52 ? 107 ARG A CG 1 ATOM 840 C CD . ARG A 1 107 ? -4.481 55.534 3.591 1.00 53.53 ? 107 ARG A CD 1 ATOM 841 N NE . ARG A 1 107 ? -5.460 56.421 4.232 1.00 51.35 ? 107 ARG A NE 1 ATOM 842 C CZ . ARG A 1 107 ? -6.424 56.065 5.081 1.00 53.29 ? 107 ARG A CZ 1 ATOM 843 N NH1 . ARG A 1 107 ? -6.638 54.811 5.425 1.00 55.77 ? 107 ARG A NH1 1 ATOM 844 N NH2 . ARG A 1 107 ? -7.197 56.998 5.596 1.00 50.65 ? 107 ARG A NH2 1 ATOM 845 N N . THR A 1 108 ? 1.478 54.386 4.039 1.00 53.61 ? 108 THR A N 1 ATOM 846 C CA . THR A 1 108 ? 2.632 53.846 3.345 1.00 53.24 ? 108 THR A CA 1 ATOM 847 C C . THR A 1 108 ? 2.774 52.367 3.737 1.00 53.46 ? 108 THR A C 1 ATOM 848 O O . THR A 1 108 ? 2.697 52.030 4.931 1.00 53.42 ? 108 THR A O 1 ATOM 849 C CB . THR A 1 108 ? 3.905 54.611 3.725 1.00 53.96 ? 108 THR A CB 1 ATOM 850 O OG1 . THR A 1 108 ? 3.823 55.947 3.234 1.00 52.85 ? 108 THR A OG1 1 ATOM 851 C CG2 . THR A 1 108 ? 5.209 53.946 3.163 1.00 53.77 ? 108 THR A CG2 1 ATOM 852 N N . ILE A 1 109 ? 2.963 51.497 2.748 1.00 52.83 ? 109 ILE A N 1 ATOM 853 C CA . ILE A 1 109 ? 3.211 50.098 3.026 1.00 53.97 ? 109 ILE A CA 1 ATOM 854 C C . ILE A 1 109 ? 4.663 49.863 3.327 1.00 53.71 ? 109 ILE A C 1 ATOM 855 O O . ILE A 1 109 ? 5.542 50.531 2.777 1.00 53.41 ? 109 ILE A O 1 ATOM 856 C CB . ILE A 1 109 ? 2.636 49.175 1.943 1.00 55.00 ? 109 ILE A CB 1 ATOM 857 C CG1 . ILE A 1 109 ? 3.351 49.361 0.589 1.00 57.57 ? 109 ILE A CG1 1 ATOM 858 C CG2 . ILE A 1 109 ? 1.059 49.428 1.909 1.00 54.26 ? 109 ILE A CG2 1 ATOM 859 C CD1 . ILE A 1 109 ? 2.816 48.364 -0.537 1.00 59.99 ? 109 ILE A CD1 1 ATOM 860 N N . LEU A 1 110 ? 4.925 48.908 4.230 1.00 52.49 ? 110 LEU A N 1 ATOM 861 C CA . LEU A 1 110 ? 6.293 48.691 4.678 1.00 53.03 ? 110 LEU A CA 1 ATOM 862 C C . LEU A 1 110 ? 6.964 47.614 3.832 1.00 52.31 ? 110 LEU A C 1 ATOM 863 O O . LEU A 1 110 ? 6.329 46.620 3.408 1.00 52.65 ? 110 LEU A O 1 ATOM 864 C CB . LEU A 1 110 ? 6.300 48.287 6.178 1.00 51.72 ? 110 LEU A CB 1 ATOM 865 C CG . LEU A 1 110 ? 5.562 49.288 7.068 1.00 53.26 ? 110 LEU A CG 1 ATOM 866 C CD1 . LEU A 1 110 ? 5.647 48.830 8.499 1.00 55.69 ? 110 LEU A CD1 1 ATOM 867 C CD2 . LEU A 1 110 ? 6.048 50.789 6.907 1.00 52.91 ? 110 LEU A CD2 1 ATOM 868 N N . LEU A 1 111 ? 8.264 47.823 3.582 1.00 52.89 ? 111 LEU A N 1 ATOM 869 C CA . LEU A 1 111 ? 9.041 46.973 2.736 1.00 53.71 ? 111 LEU A CA 1 ATOM 870 C C . LEU A 1 111 ? 10.297 46.452 3.452 1.00 53.71 ? 111 LEU A C 1 ATOM 871 O O . LEU A 1 111 ? 10.735 46.992 4.453 1.00 54.39 ? 111 LEU A O 1 ATOM 872 C CB . LEU A 1 111 ? 9.513 47.760 1.480 1.00 54.08 ? 111 LEU A CB 1 ATOM 873 C CG . LEU A 1 111 ? 8.456 48.423 0.606 1.00 53.63 ? 111 LEU A CG 1 ATOM 874 C CD1 . LEU A 1 111 ? 9.172 49.146 -0.580 1.00 54.21 ? 111 LEU A CD1 1 ATOM 875 C CD2 . LEU A 1 111 ? 7.366 47.418 0.103 1.00 54.77 ? 111 LEU A CD2 1 ATOM 876 N N . LEU A 1 112 ? 10.814 45.355 2.940 1.00 53.82 ? 112 LEU A N 1 ATOM 877 C CA . LEU A 1 112 ? 12.120 44.858 3.308 1.00 55.03 ? 112 LEU A CA 1 ATOM 878 C C . LEU A 1 112 ? 13.135 45.316 2.279 1.00 53.12 ? 112 LEU A C 1 ATOM 879 O O . LEU A 1 112 ? 12.983 45.040 1.064 1.00 52.98 ? 112 LEU A O 1 ATOM 880 C CB . LEU A 1 112 ? 12.102 43.352 3.301 1.00 57.17 ? 112 LEU A CB 1 ATOM 881 C CG . LEU A 1 112 ? 11.968 42.514 4.543 1.00 63.62 ? 112 LEU A CG 1 ATOM 882 C CD1 . LEU A 1 112 ? 12.537 41.120 4.068 1.00 66.47 ? 112 LEU A CD1 1 ATOM 883 C CD2 . LEU A 1 112 ? 12.780 43.095 5.736 1.00 62.70 ? 112 LEU A CD2 1 ATOM 884 N N . GLU A 1 113 ? 14.173 46.009 2.740 1.00 52.50 ? 113 GLU A N 1 ATOM 885 C CA . GLU A 1 113 ? 15.189 46.529 1.850 1.00 52.64 ? 113 GLU A CA 1 ATOM 886 C C . GLU A 1 113 ? 16.581 46.344 2.404 1.00 52.43 ? 113 GLU A C 1 ATOM 887 O O . GLU A 1 113 ? 16.755 46.149 3.600 1.00 51.88 ? 113 GLU A O 1 ATOM 888 C CB . GLU A 1 113 ? 14.959 48.021 1.616 1.00 53.03 ? 113 GLU A CB 1 ATOM 889 C CG . GLU A 1 113 ? 13.654 48.294 0.764 1.00 54.18 ? 113 GLU A CG 1 ATOM 890 C CD . GLU A 1 113 ? 13.623 49.790 0.326 1.00 57.43 ? 113 GLU A CD 1 ATOM 891 O OE1 . GLU A 1 113 ? 14.704 50.352 0.018 1.00 62.62 ? 113 GLU A OE1 1 ATOM 892 O OE2 . GLU A 1 113 ? 12.555 50.392 0.414 1.00 61.62 ? 113 GLU A OE2 1 ATOM 893 N N . ASP A 1 114 ? 17.556 46.487 1.519 1.00 51.95 ? 114 ASP A N 1 ATOM 894 C CA . ASP A 1 114 ? 18.957 46.551 1.911 1.00 52.40 ? 114 ASP A CA 1 ATOM 895 C C . ASP A 1 114 ? 19.144 47.642 2.910 1.00 51.79 ? 114 ASP A C 1 ATOM 896 O O . ASP A 1 114 ? 18.652 48.751 2.737 1.00 50.88 ? 114 ASP A O 1 ATOM 897 C CB . ASP A 1 114 ? 19.832 46.848 0.711 1.00 52.69 ? 114 ASP A CB 1 ATOM 898 C CG . ASP A 1 114 ? 19.696 45.775 -0.405 1.00 55.76 ? 114 ASP A CG 1 ATOM 899 O OD1 . ASP A 1 114 ? 19.822 44.578 -0.096 1.00 60.73 ? 114 ASP A OD1 1 ATOM 900 O OD2 . ASP A 1 114 ? 19.444 46.137 -1.582 1.00 58.24 ? 114 ASP A OD2 1 ATOM 901 N N . ASN A 1 115 ? 19.901 47.331 3.952 1.00 52.82 ? 115 ASN A N 1 ATOM 902 C CA . ASN A 1 115 ? 20.167 48.280 4.972 1.00 52.44 ? 115 ASN A CA 1 ATOM 903 C C . ASN A 1 115 ? 21.084 49.382 4.455 1.00 52.66 ? 115 ASN A C 1 ATOM 904 O O . ASN A 1 115 ? 22.225 49.123 4.067 1.00 50.83 ? 115 ASN A O 1 ATOM 905 C CB . ASN A 1 115 ? 20.813 47.601 6.196 1.00 51.55 ? 115 ASN A CB 1 ATOM 906 C CG . ASN A 1 115 ? 20.882 48.533 7.388 1.00 54.85 ? 115 ASN A CG 1 ATOM 907 O OD1 . ASN A 1 115 ? 20.305 49.633 7.376 1.00 53.86 ? 115 ASN A OD1 1 ATOM 908 N ND2 . ASN A 1 115 ? 21.610 48.111 8.429 1.00 55.31 ? 115 ASN A ND2 1 ATOM 909 N N . ILE A 1 116 ? 20.606 50.616 4.482 1.00 51.40 ? 116 ILE A N 1 ATOM 910 C CA . ILE A 1 116 ? 21.486 51.739 4.171 1.00 54.19 ? 116 ILE A CA 1 ATOM 911 C C . ILE A 1 116 ? 21.522 52.734 5.323 1.00 53.68 ? 116 ILE A C 1 ATOM 912 O O . ILE A 1 116 ? 22.026 53.861 5.168 1.00 54.42 ? 116 ILE A O 1 ATOM 913 C CB . ILE A 1 116 ? 21.115 52.453 2.834 1.00 56.18 ? 116 ILE A CB 1 ATOM 914 C CG1 . ILE A 1 116 ? 19.680 52.978 2.852 1.00 56.13 ? 116 ILE A CG1 1 ATOM 915 C CG2 . ILE A 1 116 ? 21.288 51.508 1.655 1.00 57.81 ? 116 ILE A CG2 1 ATOM 916 C CD1 . ILE A 1 116 ? 19.409 54.041 1.735 1.00 58.32 ? 116 ILE A CD1 1 ATOM 917 N N . TYR A 1 117 ? 21.063 52.288 6.490 1.00 52.89 ? 117 TYR A N 1 ATOM 918 C CA . TYR A 1 117 ? 21.071 53.105 7.709 1.00 53.27 ? 117 TYR A CA 1 ATOM 919 C C . TYR A 1 117 ? 20.252 54.410 7.533 1.00 51.99 ? 117 TYR A C 1 ATOM 920 O O . TYR A 1 117 ? 20.612 55.464 8.075 1.00 49.73 ? 117 TYR A O 1 ATOM 921 C CB . TYR A 1 117 ? 22.486 53.386 8.190 1.00 54.96 ? 117 TYR A CB 1 ATOM 922 C CG . TYR A 1 117 ? 23.253 52.070 8.588 1.00 55.67 ? 117 TYR A CG 1 ATOM 923 C CD1 . TYR A 1 117 ? 24.105 51.472 7.712 1.00 56.51 ? 117 TYR A CD1 1 ATOM 924 C CD2 . TYR A 1 117 ? 22.981 51.420 9.806 1.00 55.56 ? 117 TYR A CD2 1 ATOM 925 C CE1 . TYR A 1 117 ? 24.728 50.239 8.025 1.00 58.11 ? 117 TYR A CE1 1 ATOM 926 C CE2 . TYR A 1 117 ? 23.633 50.231 10.154 1.00 57.38 ? 117 TYR A CE2 1 ATOM 927 C CZ . TYR A 1 117 ? 24.478 49.634 9.244 1.00 56.37 ? 117 TYR A CZ 1 ATOM 928 O OH . TYR A 1 117 ? 25.107 48.448 9.582 1.00 59.89 ? 117 TYR A OH 1 ATOM 929 N N . ALA A 1 118 ? 19.172 54.304 6.774 1.00 51.93 ? 118 ALA A N 1 ATOM 930 C CA . ALA A 1 118 ? 18.309 55.469 6.503 1.00 52.13 ? 118 ALA A CA 1 ATOM 931 C C . ALA A 1 118 ? 17.439 55.728 7.735 1.00 51.85 ? 118 ALA A C 1 ATOM 932 O O . ALA A 1 118 ? 17.093 54.801 8.477 1.00 52.09 ? 118 ALA A O 1 ATOM 933 C CB . ALA A 1 118 ? 17.462 55.255 5.282 1.00 51.94 ? 118 ALA A CB 1 ATOM 934 N N . ALA A 1 119 ? 17.050 56.981 7.930 1.00 52.18 ? 119 ALA A N 1 ATOM 935 C CA . ALA A 1 119 ? 16.061 57.303 8.940 1.00 52.91 ? 119 ALA A CA 1 ATOM 936 C C . ALA A 1 119 ? 14.743 56.558 8.663 1.00 53.97 ? 119 ALA A C 1 ATOM 937 O O . ALA A 1 119 ? 13.971 56.274 9.589 1.00 54.93 ? 119 ALA A O 1 ATOM 938 C CB . ALA A 1 119 ? 15.859 58.835 9.024 1.00 53.20 ? 119 ALA A CB 1 ATOM 939 N N . SER A 1 120 ? 14.483 56.220 7.395 1.00 52.72 ? 120 SER A N 1 ATOM 940 C CA . SER A 1 120 ? 13.309 55.417 7.008 1.00 52.31 ? 120 SER A CA 1 ATOM 941 C C . SER A 1 120 ? 13.416 53.983 7.491 1.00 52.98 ? 120 SER A C 1 ATOM 942 O O . SER A 1 120 ? 12.457 53.221 7.396 1.00 51.61 ? 120 SER A O 1 ATOM 943 C CB . SER A 1 120 ? 13.178 55.371 5.478 1.00 52.19 ? 120 SER A CB 1 ATOM 944 O OG . SER A 1 120 ? 14.331 54.727 4.942 1.00 53.73 ? 120 SER A OG 1 ATOM 945 N N . GLN A 1 121 ? 14.601 53.607 7.996 1.00 52.56 ? 121 GLN A N 1 ATOM 946 C CA . GLN A 1 121 ? 14.837 52.270 8.534 1.00 51.73 ? 121 GLN A CA 1 ATOM 947 C C . GLN A 1 121 ? 15.051 52.247 10.062 1.00 51.53 ? 121 GLN A C 1 ATOM 948 O O . GLN A 1 121 ? 15.432 51.210 10.600 1.00 53.28 ? 121 GLN A O 1 ATOM 949 C CB . GLN A 1 121 ? 16.009 51.647 7.786 1.00 51.88 ? 121 GLN A CB 1 ATOM 950 C CG . GLN A 1 121 ? 15.728 51.513 6.303 1.00 52.13 ? 121 GLN A CG 1 ATOM 951 C CD . GLN A 1 121 ? 16.886 51.054 5.455 1.00 51.77 ? 121 GLN A CD 1 ATOM 952 O OE1 . GLN A 1 121 ? 18.062 51.451 5.664 1.00 50.79 ? 121 GLN A OE1 1 ATOM 953 N NE2 . GLN A 1 121 ? 16.562 50.230 4.440 1.00 51.28 ? 121 GLN A NE2 1 ATOM 954 N N . GLY A 1 122 ? 14.765 53.360 10.745 1.00 51.10 ? 122 GLY A N 1 ATOM 955 C CA . GLY A 1 122 ? 14.857 53.468 12.206 1.00 50.83 ? 122 GLY A CA 1 ATOM 956 C C . GLY A 1 122 ? 13.482 53.266 12.828 1.00 51.31 ? 122 GLY A C 1 ATOM 957 O O . GLY A 1 122 ? 12.472 53.800 12.327 1.00 50.75 ? 122 GLY A O 1 ATOM 958 N N . TRP A 1 123 ? 13.457 52.523 13.929 1.00 51.44 ? 123 TRP A N 1 ATOM 959 C CA . TRP A 1 123 ? 12.228 52.154 14.640 1.00 50.55 ? 123 TRP A CA 1 ATOM 960 C C . TRP A 1 123 ? 12.535 52.161 16.131 1.00 51.01 ? 123 TRP A C 1 ATOM 961 O O . TRP A 1 123 ? 13.718 52.036 16.565 1.00 49.73 ? 123 TRP A O 1 ATOM 962 C CB . TRP A 1 123 ? 11.765 50.749 14.209 1.00 51.53 ? 123 TRP A CB 1 ATOM 963 C CG . TRP A 1 123 ? 11.613 50.620 12.762 1.00 49.97 ? 123 TRP A CG 1 ATOM 964 C CD1 . TRP A 1 123 ? 12.530 50.152 11.913 1.00 50.85 ? 123 TRP A CD1 1 ATOM 965 C CD2 . TRP A 1 123 ? 10.455 50.927 11.997 1.00 51.17 ? 123 TRP A CD2 1 ATOM 966 N NE1 . TRP A 1 123 ? 12.083 50.211 10.630 1.00 52.47 ? 123 TRP A NE1 1 ATOM 967 C CE2 . TRP A 1 123 ? 10.772 50.623 10.644 1.00 50.27 ? 123 TRP A CE2 1 ATOM 968 C CE3 . TRP A 1 123 ? 9.160 51.397 12.319 1.00 51.85 ? 123 TRP A CE3 1 ATOM 969 C CZ2 . TRP A 1 123 ? 9.870 50.817 9.601 1.00 53.97 ? 123 TRP A CZ2 1 ATOM 970 C CZ3 . TRP A 1 123 ? 8.243 51.601 11.281 1.00 52.61 ? 123 TRP A CZ3 1 ATOM 971 C CH2 . TRP A 1 123 ? 8.590 51.273 9.928 1.00 51.66 ? 123 TRP A CH2 1 ATOM 972 N N . THR A 1 124 ? 11.493 52.342 16.919 1.00 50.10 ? 124 THR A N 1 ATOM 973 C CA . THR A 1 124 ? 11.559 52.308 18.386 1.00 50.89 ? 124 THR A CA 1 ATOM 974 C C . THR A 1 124 ? 10.421 51.427 18.895 1.00 51.48 ? 124 THR A C 1 ATOM 975 O O . THR A 1 124 ? 9.244 51.665 18.556 1.00 50.84 ? 124 THR A O 1 ATOM 976 C CB . THR A 1 124 ? 11.474 53.737 18.991 1.00 51.39 ? 124 THR A CB 1 ATOM 977 O OG1 . THR A 1 124 ? 12.580 54.518 18.492 1.00 50.61 ? 124 THR A OG1 1 ATOM 978 C CG2 . THR A 1 124 ? 11.593 53.672 20.513 1.00 53.45 ? 124 THR A CG2 1 ATOM 979 N N . VAL A 1 125 ? 10.783 50.378 19.604 1.00 50.65 ? 125 VAL A N 1 ATOM 980 C CA . VAL A 1 125 ? 9.831 49.441 20.198 1.00 51.50 ? 125 VAL A CA 1 ATOM 981 C C . VAL A 1 125 ? 9.467 49.955 21.593 1.00 51.81 ? 125 VAL A C 1 ATOM 982 O O . VAL A 1 125 ? 10.300 49.961 22.489 1.00 50.64 ? 125 VAL A O 1 ATOM 983 C CB . VAL A 1 125 ? 10.423 48.010 20.218 1.00 51.52 ? 125 VAL A CB 1 ATOM 984 C CG1 . VAL A 1 125 ? 9.407 46.999 20.921 1.00 51.48 ? 125 VAL A CG1 1 ATOM 985 C CG2 . VAL A 1 125 ? 10.849 47.600 18.737 1.00 48.67 ? 125 VAL A CG2 1 ATOM 986 N N . THR A 1 126 ? 8.230 50.434 21.773 1.00 50.85 ? 126 THR A N 1 ATOM 987 C CA . THR A 1 126 ? 7.888 51.195 22.993 1.00 50.44 ? 126 THR A CA 1 ATOM 988 C C . THR A 1 126 ? 6.372 51.269 23.193 1.00 50.68 ? 126 THR A C 1 ATOM 989 O O . THR A 1 126 ? 5.631 51.114 22.236 1.00 49.70 ? 126 THR A O 1 ATOM 990 C CB . THR A 1 126 ? 8.477 52.630 22.903 1.00 51.17 ? 126 THR A CB 1 ATOM 991 O OG1 . THR A 1 126 ? 8.259 53.337 24.129 1.00 51.94 ? 126 THR A OG1 1 ATOM 992 C CG2 . THR A 1 126 ? 7.919 53.397 21.737 1.00 50.66 ? 126 THR A CG2 1 ATOM 993 N N . ASN A 1 127 ? 5.931 51.456 24.436 1.00 49.81 ? 127 ASN A N 1 ATOM 994 C CA . ASN A 1 127 ? 4.558 51.848 24.736 1.00 51.95 ? 127 ASN A CA 1 ATOM 995 C C . ASN A 1 127 ? 4.408 53.377 24.764 1.00 52.84 ? 127 ASN A C 1 ATOM 996 O O . ASN A 1 127 ? 3.281 53.833 24.720 1.00 54.15 ? 127 ASN A O 1 ATOM 997 C CB . ASN A 1 127 ? 4.100 51.297 26.075 1.00 51.22 ? 127 ASN A CB 1 ATOM 998 C CG . ASN A 1 127 ? 3.863 49.790 26.062 1.00 49.50 ? 127 ASN A CG 1 ATOM 999 O OD1 . ASN A 1 127 ? 3.643 49.203 25.026 1.00 48.99 ? 127 ASN A OD1 1 ATOM 1000 N ND2 . ASN A 1 127 ? 3.888 49.180 27.236 1.00 49.70 ? 127 ASN A ND2 1 ATOM 1001 N N . ASN A 1 128 ? 5.490 54.163 24.872 1.00 54.29 ? 128 ASN A N 1 ATOM 1002 C CA . ASN A 1 128 ? 5.321 55.651 24.750 1.00 56.28 ? 128 ASN A CA 1 ATOM 1003 C C . ASN A 1 128 ? 5.385 56.054 23.313 1.00 57.17 ? 128 ASN A C 1 ATOM 1004 O O . ASN A 1 128 ? 6.432 56.157 22.750 1.00 60.92 ? 128 ASN A O 1 ATOM 1005 C CB . ASN A 1 128 ? 6.353 56.524 25.491 1.00 56.91 ? 128 ASN A CB 1 ATOM 1006 C CG . ASN A 1 128 ? 6.016 58.132 25.403 1.00 57.92 ? 128 ASN A CG 1 ATOM 1007 O OD1 . ASN A 1 128 ? 4.990 58.552 24.807 1.00 53.10 ? 128 ASN A OD1 1 ATOM 1008 N ND2 . ASN A 1 128 ? 6.896 58.980 26.020 1.00 57.49 ? 128 ASN A ND2 1 ATOM 1009 N N . VAL A 1 129 ? 4.266 56.388 22.760 1.00 58.08 ? 129 VAL A N 1 ATOM 1010 C CA . VAL A 1 129 ? 4.224 56.689 21.348 1.00 58.62 ? 129 VAL A CA 1 ATOM 1011 C C . VAL A 1 129 ? 4.344 58.193 20.995 1.00 59.26 ? 129 VAL A C 1 ATOM 1012 O O . VAL A 1 129 ? 4.050 58.575 19.810 1.00 60.69 ? 129 VAL A O 1 ATOM 1013 C CB . VAL A 1 129 ? 2.968 56.085 20.741 1.00 58.55 ? 129 VAL A CB 1 ATOM 1014 C CG1 . VAL A 1 129 ? 3.035 54.533 20.971 1.00 60.92 ? 129 VAL A CG1 1 ATOM 1015 C CG2 . VAL A 1 129 ? 1.710 56.694 21.303 1.00 59.31 ? 129 VAL A CG2 1 ATOM 1016 N N . LYS A 1 130 ? 4.692 59.031 21.978 1.00 55.46 ? 130 LYS A N 1 ATOM 1017 C CA . LYS A 1 130 ? 4.907 60.435 21.700 1.00 54.51 ? 130 LYS A CA 1 ATOM 1018 C C . LYS A 1 130 ? 6.404 60.653 21.707 1.00 53.40 ? 130 LYS A C 1 ATOM 1019 O O . LYS A 1 130 ? 7.099 60.066 22.504 1.00 51.31 ? 130 LYS A O 1 ATOM 1020 C CB . LYS A 1 130 ? 4.294 61.333 22.738 1.00 53.63 ? 130 LYS A CB 1 ATOM 1021 C CG . LYS A 1 130 ? 2.838 61.279 22.714 1.00 59.71 ? 130 LYS A CG 1 ATOM 1022 N N . PRO A 1 131 ? 6.892 61.516 20.823 1.00 51.94 ? 131 PRO A N 1 ATOM 1023 C CA . PRO A 1 131 ? 8.302 61.861 20.872 1.00 52.02 ? 131 PRO A CA 1 ATOM 1024 C C . PRO A 1 131 ? 8.712 62.434 22.247 1.00 51.71 ? 131 PRO A C 1 ATOM 1025 O O . PRO A 1 131 ? 7.949 63.118 22.889 1.00 49.79 ? 131 PRO A O 1 ATOM 1026 C CB . PRO A 1 131 ? 8.439 62.933 19.801 1.00 51.90 ? 131 PRO A CB 1 ATOM 1027 C CG . PRO A 1 131 ? 7.227 62.850 18.966 1.00 53.36 ? 131 PRO A CG 1 ATOM 1028 C CD . PRO A 1 131 ? 6.153 62.235 19.765 1.00 51.48 ? 131 PRO A CD 1 ATOM 1029 N N . ILE A 1 132 ? 9.940 62.179 22.650 1.00 52.43 ? 132 ILE A N 1 ATOM 1030 C CA . ILE A 1 132 ? 10.500 62.749 23.872 1.00 52.58 ? 132 ILE A CA 1 ATOM 1031 C C . ILE A 1 132 ? 11.052 64.141 23.500 1.00 51.42 ? 132 ILE A C 1 ATOM 1032 O O . ILE A 1 132 ? 11.757 64.249 22.532 1.00 50.70 ? 132 ILE A O 1 ATOM 1033 C CB . ILE A 1 132 ? 11.629 61.815 24.388 1.00 54.19 ? 132 ILE A CB 1 ATOM 1034 C CG1 . ILE A 1 132 ? 10.994 60.420 24.856 1.00 56.93 ? 132 ILE A CG1 1 ATOM 1035 C CG2 . ILE A 1 132 ? 12.484 62.509 25.520 1.00 55.64 ? 132 ILE A CG2 1 ATOM 1036 N N . VAL A 1 133 ? 10.681 65.188 24.235 1.00 49.48 ? 133 VAL A N 1 ATOM 1037 C CA . VAL A 1 133 ? 11.211 66.522 23.958 1.00 50.14 ? 133 VAL A CA 1 ATOM 1038 C C . VAL A 1 133 ? 12.291 66.838 24.977 1.00 49.57 ? 133 VAL A C 1 ATOM 1039 O O . VAL A 1 133 ? 12.054 66.725 26.172 1.00 51.33 ? 133 VAL A O 1 ATOM 1040 C CB . VAL A 1 133 ? 10.100 67.601 23.937 1.00 50.70 ? 133 VAL A CB 1 ATOM 1041 C CG1 . VAL A 1 133 ? 10.708 68.900 23.489 1.00 52.49 ? 133 VAL A CG1 1 ATOM 1042 C CG2 . VAL A 1 133 ? 9.001 67.178 22.974 1.00 48.32 ? 133 VAL A CG2 1 ATOM 1043 N N . ALA A 1 134 ? 13.475 67.201 24.492 1.00 49.47 ? 134 ALA A N 1 ATOM 1044 C CA . ALA A 1 134 ? 14.661 67.404 25.302 1.00 50.47 ? 134 ALA A CA 1 ATOM 1045 C C . ALA A 1 134 ? 15.555 68.554 24.840 1.00 49.77 ? 134 ALA A C 1 ATOM 1046 O O . ALA A 1 134 ? 15.597 68.908 23.650 1.00 49.81 ? 134 ALA A O 1 ATOM 1047 C CB . ALA A 1 134 ? 15.516 66.095 25.328 1.00 49.41 ? 134 ALA A CB 1 ATOM 1048 N N . SER A 1 135 ? 16.351 69.065 25.781 1.00 51.23 ? 135 SER A N 1 ATOM 1049 C CA . SER A 1 135 ? 17.581 69.823 25.429 1.00 52.52 ? 135 SER A CA 1 ATOM 1050 C C . SER A 1 135 ? 18.701 68.825 25.149 1.00 52.30 ? 135 SER A C 1 ATOM 1051 O O . SER A 1 135 ? 18.692 67.717 25.689 1.00 53.78 ? 135 SER A O 1 ATOM 1052 C CB . SER A 1 135 ? 18.043 70.702 26.602 1.00 53.08 ? 135 SER A CB 1 ATOM 1053 O OG . SER A 1 135 ? 17.044 71.627 26.910 1.00 57.57 ? 135 SER A OG 1 ATOM 1054 N N . ILE A 1 136 ? 19.641 69.221 24.303 1.00 51.80 ? 136 ILE A N 1 ATOM 1055 C CA . ILE A 1 136 ? 20.816 68.417 24.020 1.00 51.93 ? 136 ILE A CA 1 ATOM 1056 C C . ILE A 1 136 ? 22.038 69.251 24.451 1.00 51.30 ? 136 ILE A C 1 ATOM 1057 O O . ILE A 1 136 ? 22.312 70.317 23.897 1.00 50.36 ? 136 ILE A O 1 ATOM 1058 C CB . ILE A 1 136 ? 20.865 68.026 22.533 1.00 52.24 ? 136 ILE A CB 1 ATOM 1059 C CG1 . ILE A 1 136 ? 19.661 67.107 22.168 1.00 51.33 ? 136 ILE A CG1 1 ATOM 1060 C CG2 . ILE A 1 136 ? 22.225 67.375 22.209 1.00 53.61 ? 136 ILE A CG2 1 ATOM 1061 C CD1 . ILE A 1 136 ? 19.604 66.796 20.668 1.00 51.75 ? 136 ILE A CD1 1 ATOM 1062 N N . VAL A 1 137 ? 22.666 68.824 25.538 1.00 49.75 ? 137 VAL A N 1 ATOM 1063 C CA . VAL A 1 137 ? 23.672 69.610 26.213 1.00 49.82 ? 137 VAL A CA 1 ATOM 1064 C C . VAL A 1 137 ? 25.015 68.964 25.824 1.00 51.32 ? 137 VAL A C 1 ATOM 1065 O O . VAL A 1 137 ? 25.151 67.737 25.868 1.00 51.58 ? 137 VAL A O 1 ATOM 1066 C CB . VAL A 1 137 ? 23.485 69.652 27.748 1.00 48.85 ? 137 VAL A CB 1 ATOM 1067 C CG1 . VAL A 1 137 ? 24.586 70.543 28.385 1.00 50.14 ? 137 VAL A CG1 1 ATOM 1068 C CG2 . VAL A 1 137 ? 22.010 70.149 28.157 1.00 50.28 ? 137 VAL A CG2 1 ATOM 1069 N N . GLY A 1 138 ? 25.976 69.805 25.452 1.00 51.21 ? 138 GLY A N 1 ATOM 1070 C CA . GLY A 1 138 ? 27.278 69.373 25.005 1.00 51.19 ? 138 GLY A CA 1 ATOM 1071 C C . GLY A 1 138 ? 28.408 70.177 25.600 1.00 51.34 ? 138 GLY A C 1 ATOM 1072 O O . GLY A 1 138 ? 28.389 70.602 26.767 1.00 50.76 ? 138 GLY A O 1 ATOM 1073 N N . TYR A 1 139 ? 29.430 70.355 24.774 1.00 51.75 ? 139 TYR A N 1 ATOM 1074 C CA . TYR A 1 139 ? 30.670 71.008 25.139 1.00 52.01 ? 139 TYR A CA 1 ATOM 1075 C C . TYR A 1 139 ? 30.425 72.328 25.889 1.00 51.01 ? 139 TYR A C 1 ATOM 1076 O O . TYR A 1 139 ? 29.549 73.132 25.547 1.00 49.09 ? 139 TYR A O 1 ATOM 1077 C CB . TYR A 1 139 ? 31.496 71.207 23.841 1.00 53.11 ? 139 TYR A CB 1 ATOM 1078 C CG . TYR A 1 139 ? 32.866 71.714 24.038 1.00 52.96 ? 139 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 139 ? 33.229 72.959 23.543 1.00 56.12 ? 139 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 139 ? 33.830 70.948 24.711 1.00 53.69 ? 139 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 139 ? 34.534 73.453 23.713 1.00 56.52 ? 139 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 139 ? 35.118 71.430 24.898 1.00 55.82 ? 139 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 139 ? 35.462 72.678 24.396 1.00 57.07 ? 139 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 139 ? 36.724 73.188 24.581 1.00 57.31 ? 139 TYR A OH 1 ATOM 1085 N N . LYS A 1 140 ? 31.170 72.466 26.963 1.00 51.07 ? 140 LYS A N 1 ATOM 1086 C CA . LYS A 1 140 ? 31.104 73.584 27.893 1.00 52.97 ? 140 LYS A CA 1 ATOM 1087 C C . LYS A 1 140 ? 29.737 73.785 28.543 1.00 50.99 ? 140 LYS A C 1 ATOM 1088 O O . LYS A 1 140 ? 29.440 74.852 29.014 1.00 49.93 ? 140 LYS A O 1 ATOM 1089 C CB . LYS A 1 140 ? 31.646 74.840 27.214 1.00 53.30 ? 140 LYS A CB 1 ATOM 1090 C CG . LYS A 1 140 ? 33.136 74.640 26.855 1.00 56.24 ? 140 LYS A CG 1 ATOM 1091 C CD . LYS A 1 140 ? 33.743 75.916 26.339 1.00 58.90 ? 140 LYS A CD 1 ATOM 1092 C CE . LYS A 1 140 ? 35.287 75.955 26.534 1.00 63.67 ? 140 LYS A CE 1 ATOM 1093 N NZ . LYS A 1 140 ? 35.773 75.281 27.797 1.00 70.42 ? 140 LYS A NZ 1 ATOM 1094 N N . GLU A 1 141 ? 28.971 72.707 28.630 1.00 50.05 ? 141 GLU A N 1 ATOM 1095 C CA . GLU A 1 141 ? 27.623 72.706 29.176 1.00 51.20 ? 141 GLU A CA 1 ATOM 1096 C C . GLU A 1 141 ? 26.717 73.684 28.419 1.00 51.82 ? 141 GLU A C 1 ATOM 1097 O O . GLU A 1 141 ? 25.741 74.192 28.959 1.00 49.43 ? 141 GLU A O 1 ATOM 1098 C CB . GLU A 1 141 ? 27.620 72.989 30.709 1.00 51.46 ? 141 GLU A CB 1 ATOM 1099 C CG . GLU A 1 141 ? 28.576 72.115 31.508 1.00 54.15 ? 141 GLU A CG 1 ATOM 1100 C CD . GLU A 1 141 ? 28.300 70.619 31.297 1.00 62.63 ? 141 GLU A CD 1 ATOM 1101 O OE1 . GLU A 1 141 ? 29.285 69.863 31.037 1.00 67.83 ? 141 GLU A OE1 1 ATOM 1102 O OE2 . GLU A 1 141 ? 27.104 70.220 31.315 1.00 60.50 ? 141 GLU A OE2 1 ATOM 1103 N N . MET A 1 142 ? 26.996 73.887 27.127 1.00 51.32 ? 142 MET A N 1 ATOM 1104 C CA . MET A 1 142 ? 26.120 74.664 26.278 1.00 52.31 ? 142 MET A CA 1 ATOM 1105 C C . MET A 1 142 ? 25.125 73.765 25.608 1.00 51.63 ? 142 MET A C 1 ATOM 1106 O O . MET A 1 142 ? 25.264 72.549 25.635 1.00 50.85 ? 142 MET A O 1 ATOM 1107 C CB . MET A 1 142 ? 26.941 75.441 25.276 1.00 51.51 ? 142 MET A CB 1 ATOM 1108 C CG . MET A 1 142 ? 27.664 76.595 25.995 1.00 54.08 ? 142 MET A CG 1 ATOM 1109 S SD . MET A 1 142 ? 28.842 77.440 24.935 1.00 60.05 ? 142 MET A SD 1 ATOM 1110 C CE . MET A 1 142 ? 27.713 78.340 23.918 1.00 54.90 ? 142 MET A CE 1 ATOM 1111 N N . CYS A 1 143 ? 24.099 74.381 25.029 1.00 50.24 ? 143 CYS A N 1 ATOM 1112 C CA . CYS A 1 143 ? 22.990 73.670 24.452 1.00 51.85 ? 143 CYS A CA 1 ATOM 1113 C C . CYS A 1 143 ? 23.049 73.774 22.921 1.00 51.33 ? 143 CYS A C 1 ATOM 1114 O O . CYS A 1 143 ? 23.285 74.856 22.383 1.00 50.80 ? 143 CYS A O 1 ATOM 1115 C CB . CYS A 1 143 ? 21.661 74.304 24.928 1.00 51.91 ? 143 CYS A CB 1 ATOM 1116 S SG . CYS A 1 143 ? 21.057 73.664 26.507 1.00 59.28 ? 143 CYS A SG 1 ATOM 1117 N N . LEU A 1 144 ? 22.757 72.675 22.248 1.00 52.16 ? 144 LEU A N 1 ATOM 1118 C CA . LEU A 1 144 ? 22.564 72.678 20.798 1.00 52.00 ? 144 LEU A CA 1 ATOM 1119 C C . LEU A 1 144 ? 21.314 73.492 20.434 1.00 52.63 ? 144 LEU A C 1 ATOM 1120 O O . LEU A 1 144 ? 20.220 73.367 21.056 1.00 50.28 ? 144 LEU A O 1 ATOM 1121 C CB . LEU A 1 144 ? 22.419 71.259 20.320 1.00 53.50 ? 144 LEU A CB 1 ATOM 1122 C CG . LEU A 1 144 ? 22.526 70.986 18.815 1.00 54.86 ? 144 LEU A CG 1 ATOM 1123 C CD1 . LEU A 1 144 ? 23.982 71.188 18.364 1.00 55.40 ? 144 LEU A CD1 1 ATOM 1124 C CD2 . LEU A 1 144 ? 21.953 69.582 18.563 1.00 55.82 ? 144 LEU A CD2 1 ATOM 1125 N N . GLN A 1 145 ? 21.475 74.343 19.427 1.00 52.43 ? 145 GLN A N 1 ATOM 1126 C CA . GLN A 1 145 ? 20.429 75.253 19.032 1.00 52.89 ? 145 GLN A CA 1 ATOM 1127 C C . GLN A 1 145 ? 20.230 75.248 17.504 1.00 53.54 ? 145 GLN A C 1 ATOM 1128 O O . GLN A 1 145 ? 21.207 75.259 16.737 1.00 52.33 ? 145 GLN A O 1 ATOM 1129 C CB . GLN A 1 145 ? 20.808 76.634 19.519 1.00 52.05 ? 145 GLN A CB 1 ATOM 1130 C CG . GLN A 1 145 ? 19.792 77.725 19.217 1.00 54.00 ? 145 GLN A CG 1 ATOM 1131 C CD . GLN A 1 145 ? 20.188 79.010 19.843 1.00 55.81 ? 145 GLN A CD 1 ATOM 1132 O OE1 . GLN A 1 145 ? 20.243 79.120 21.077 1.00 53.44 ? 145 GLN A OE1 1 ATOM 1133 N NE2 . GLN A 1 145 ? 20.493 80.017 19.001 1.00 57.34 ? 145 GLN A NE2 1 ATOM 1134 N N . SER A 1 146 ? 18.964 75.262 17.089 1.00 53.93 ? 146 SER A N 1 ATOM 1135 C CA . SER A 1 146 ? 18.581 75.385 15.686 1.00 55.09 ? 146 SER A CA 1 ATOM 1136 C C . SER A 1 146 ? 18.498 76.840 15.339 1.00 54.71 ? 146 SER A C 1 ATOM 1137 O O . SER A 1 146 ? 18.161 77.693 16.173 1.00 54.18 ? 146 SER A O 1 ATOM 1138 C CB . SER A 1 146 ? 17.191 74.764 15.381 1.00 55.86 ? 146 SER A CB 1 ATOM 1139 O OG . SER A 1 146 ? 16.250 75.086 16.407 1.00 59.10 ? 146 SER A OG 1 ATOM 1140 N N . ASN A 1 147 ? 18.790 77.127 14.077 1.00 55.25 ? 147 ASN A N 1 ATOM 1141 C CA . ASN A 1 147 ? 18.814 78.494 13.615 1.00 55.90 ? 147 ASN A CA 1 ATOM 1142 C C . ASN A 1 147 ? 18.147 78.664 12.256 1.00 55.92 ? 147 ASN A C 1 ATOM 1143 O O . ASN A 1 147 ? 18.567 79.492 11.448 1.00 54.57 ? 147 ASN A O 1 ATOM 1144 C CB . ASN A 1 147 ? 20.278 78.957 13.567 1.00 56.05 ? 147 ASN A CB 1 ATOM 1145 C CG . ASN A 1 147 ? 20.977 78.783 14.922 1.00 59.29 ? 147 ASN A CG 1 ATOM 1146 O OD1 . ASN A 1 147 ? 20.784 79.587 15.850 1.00 58.50 ? 147 ASN A OD1 1 ATOM 1147 N ND2 . ASN A 1 147 ? 21.785 77.719 15.039 1.00 57.72 ? 147 ASN A ND2 1 ATOM 1148 N N . GLY A 1 148 ? 17.102 77.882 12.024 1.00 56.04 ? 148 GLY A N 1 ATOM 1149 C CA . GLY A 1 148 ? 16.345 77.981 10.792 1.00 56.09 ? 148 GLY A CA 1 ATOM 1150 C C . GLY A 1 148 ? 16.681 76.897 9.795 1.00 56.15 ? 148 GLY A C 1 ATOM 1151 O O . GLY A 1 148 ? 17.778 76.325 9.780 1.00 55.79 ? 148 GLY A O 1 ATOM 1152 N N . GLU A 1 149 ? 15.707 76.609 8.953 1.00 56.67 ? 149 GLU A N 1 ATOM 1153 C CA . GLU A 1 149 ? 15.888 75.667 7.866 1.00 57.06 ? 149 GLU A CA 1 ATOM 1154 C C . GLU A 1 149 ? 17.078 76.091 6.985 1.00 56.46 ? 149 GLU A C 1 ATOM 1155 O O . GLU A 1 149 ? 17.260 77.285 6.668 1.00 54.02 ? 149 GLU A O 1 ATOM 1156 C CB . GLU A 1 149 ? 14.591 75.608 7.061 1.00 57.25 ? 149 GLU A CB 1 ATOM 1157 C CG . GLU A 1 149 ? 14.517 74.485 6.093 1.00 57.99 ? 149 GLU A CG 1 ATOM 1158 C CD . GLU A 1 149 ? 13.165 74.464 5.368 1.00 60.93 ? 149 GLU A CD 1 ATOM 1159 O OE1 . GLU A 1 149 ? 12.237 75.304 5.674 1.00 66.86 ? 149 GLU A OE1 1 ATOM 1160 O OE2 . GLU A 1 149 ? 13.026 73.604 4.465 1.00 65.84 ? 149 GLU A OE2 1 ATOM 1161 N N . ASN A 1 150 ? 17.870 75.088 6.609 1.00 56.49 ? 150 ASN A N 1 ATOM 1162 C CA . ASN A 1 150 ? 19.064 75.238 5.768 1.00 57.59 ? 150 ASN A CA 1 ATOM 1163 C C . ASN A 1 150 ? 20.246 75.903 6.448 1.00 57.45 ? 150 ASN A C 1 ATOM 1164 O O . ASN A 1 150 ? 21.267 76.104 5.804 1.00 58.23 ? 150 ASN A O 1 ATOM 1165 C CB . ASN A 1 150 ? 18.764 75.969 4.452 1.00 59.19 ? 150 ASN A CB 1 ATOM 1166 C CG . ASN A 1 150 ? 17.646 75.320 3.679 1.00 62.37 ? 150 ASN A CG 1 ATOM 1167 O OD1 . ASN A 1 150 ? 16.632 75.949 3.383 1.00 70.42 ? 150 ASN A OD1 1 ATOM 1168 N ND2 . ASN A 1 150 ? 17.809 74.058 3.371 1.00 68.59 ? 150 ASN A ND2 1 ATOM 1169 N N . ASN A 1 151 ? 20.143 76.217 7.739 1.00 56.28 ? 151 ASN A N 1 ATOM 1170 C CA . ASN A 1 151 ? 21.266 76.844 8.440 1.00 55.32 ? 151 ASN A CA 1 ATOM 1171 C C . ASN A 1 151 ? 21.912 75.845 9.406 1.00 54.73 ? 151 ASN A C 1 ATOM 1172 O O . ASN A 1 151 ? 21.312 74.835 9.772 1.00 53.10 ? 151 ASN A O 1 ATOM 1173 C CB . ASN A 1 151 ? 20.829 78.111 9.174 1.00 55.14 ? 151 ASN A CB 1 ATOM 1174 C CG . ASN A 1 151 ? 20.263 79.153 8.240 1.00 55.69 ? 151 ASN A CG 1 ATOM 1175 O OD1 . ASN A 1 151 ? 20.746 79.306 7.122 1.00 52.31 ? 151 ASN A OD1 1 ATOM 1176 N ND2 . ASN A 1 151 ? 19.226 79.877 8.687 1.00 52.54 ? 151 ASN A ND2 1 ATOM 1177 N N . GLY A 1 152 ? 23.164 76.131 9.762 1.00 53.80 ? 152 GLY A N 1 ATOM 1178 C CA . GLY A 1 152 ? 23.884 75.360 10.741 1.00 54.47 ? 152 GLY A CA 1 ATOM 1179 C C . GLY A 1 152 ? 23.200 75.307 12.094 1.00 54.16 ? 152 GLY A C 1 ATOM 1180 O O . GLY A 1 152 ? 22.515 76.252 12.523 1.00 53.29 ? 152 GLY A O 1 ATOM 1181 N N . VAL A 1 153 ? 23.324 74.161 12.745 1.00 54.10 ? 153 VAL A N 1 ATOM 1182 C CA . VAL A 1 153 ? 23.065 74.086 14.170 1.00 54.24 ? 153 VAL A CA 1 ATOM 1183 C C . VAL A 1 153 ? 24.352 74.555 14.898 1.00 54.19 ? 153 VAL A C 1 ATOM 1184 O O . VAL A 1 153 ? 25.460 74.465 14.373 1.00 54.11 ? 153 VAL A O 1 ATOM 1185 C CB . VAL A 1 153 ? 22.678 72.682 14.628 1.00 55.01 ? 153 VAL A CB 1 ATOM 1186 C CG1 . VAL A 1 153 ? 21.412 72.192 13.905 1.00 55.77 ? 153 VAL A CG1 1 ATOM 1187 C CG2 . VAL A 1 153 ? 23.831 71.717 14.390 1.00 54.57 ? 153 VAL A CG2 1 ATOM 1188 N N . TRP A 1 154 ? 24.190 75.114 16.089 1.00 54.31 ? 154 TRP A N 1 ATOM 1189 C CA . TRP A 1 154 ? 25.364 75.411 16.907 1.00 54.12 ? 154 TRP A CA 1 ATOM 1190 C C . TRP A 1 154 ? 25.076 75.554 18.394 1.00 52.35 ? 154 TRP A C 1 ATOM 1191 O O . TRP A 1 154 ? 23.945 75.396 18.809 1.00 51.24 ? 154 TRP A O 1 ATOM 1192 C CB . TRP A 1 154 ? 26.077 76.641 16.365 1.00 56.41 ? 154 TRP A CB 1 ATOM 1193 C CG . TRP A 1 154 ? 25.300 77.891 16.356 1.00 58.10 ? 154 TRP A CG 1 ATOM 1194 C CD1 . TRP A 1 154 ? 24.958 78.659 17.430 1.00 59.63 ? 154 TRP A CD1 1 ATOM 1195 C CD2 . TRP A 1 154 ? 24.846 78.581 15.201 1.00 60.30 ? 154 TRP A CD2 1 ATOM 1196 N NE1 . TRP A 1 154 ? 24.287 79.776 17.016 1.00 61.73 ? 154 TRP A NE1 1 ATOM 1197 C CE2 . TRP A 1 154 ? 24.218 79.770 15.647 1.00 61.40 ? 154 TRP A CE2 1 ATOM 1198 C CE3 . TRP A 1 154 ? 24.927 78.323 13.830 1.00 60.91 ? 154 TRP A CE3 1 ATOM 1199 C CZ2 . TRP A 1 154 ? 23.651 80.710 14.765 1.00 61.35 ? 154 TRP A CZ2 1 ATOM 1200 C CZ3 . TRP A 1 154 ? 24.349 79.257 12.933 1.00 60.70 ? 154 TRP A CZ3 1 ATOM 1201 C CH2 . TRP A 1 154 ? 23.713 80.427 13.418 1.00 60.67 ? 154 TRP A CH2 1 ATOM 1202 N N . MET A 1 155 ? 26.126 75.820 19.167 1.00 51.16 ? 155 MET A N 1 ATOM 1203 C CA . MET A 1 155 ? 26.042 75.806 20.628 1.00 51.17 ? 155 MET A CA 1 ATOM 1204 C C . MET A 1 155 ? 25.750 77.231 21.129 1.00 50.19 ? 155 MET A C 1 ATOM 1205 O O . MET A 1 155 ? 26.377 78.179 20.666 1.00 48.22 ? 155 MET A O 1 ATOM 1206 C CB . MET A 1 155 ? 27.360 75.378 21.244 1.00 51.07 ? 155 MET A CB 1 ATOM 1207 C CG . MET A 1 155 ? 27.894 73.992 20.850 1.00 52.78 ? 155 MET A CG 1 ATOM 1208 S SD . MET A 1 155 ? 26.635 72.733 20.958 1.00 56.41 ? 155 MET A SD 1 ATOM 1209 C CE . MET A 1 155 ? 26.475 72.614 22.760 1.00 53.92 ? 155 MET A CE 1 ATOM 1210 N N . GLU A 1 156 ? 24.836 77.367 22.092 1.00 49.79 ? 156 GLU A N 1 ATOM 1211 C CA . GLU A 1 156 ? 24.683 78.598 22.846 1.00 50.19 ? 156 GLU A CA 1 ATOM 1212 C C . GLU A 1 156 ? 24.483 78.286 24.344 1.00 49.81 ? 156 GLU A C 1 ATOM 1213 O O . GLU A 1 156 ? 24.114 77.170 24.698 1.00 48.17 ? 156 GLU A O 1 ATOM 1214 C CB . GLU A 1 156 ? 23.446 79.362 22.369 1.00 51.17 ? 156 GLU A CB 1 ATOM 1215 C CG . GLU A 1 156 ? 23.460 79.836 20.891 1.00 56.13 ? 156 GLU A CG 1 ATOM 1216 C CD . GLU A 1 156 ? 24.368 81.041 20.625 1.00 57.47 ? 156 GLU A CD 1 ATOM 1217 O OE1 . GLU A 1 156 ? 24.513 81.380 19.425 1.00 61.91 ? 156 GLU A OE1 1 ATOM 1218 O OE2 . GLU A 1 156 ? 24.928 81.633 21.571 1.00 58.19 ? 156 GLU A OE2 1 ATOM 1219 N N . ASP A 1 157 ? 24.609 79.299 25.194 1.00 49.10 ? 157 ASP A N 1 ATOM 1220 C CA . ASP A 1 157 ? 24.231 79.162 26.627 1.00 49.44 ? 157 ASP A CA 1 ATOM 1221 C C . ASP A 1 157 ? 22.795 78.625 26.701 1.00 49.51 ? 157 ASP A C 1 ATOM 1222 O O . ASP A 1 157 ? 21.930 79.117 25.996 1.00 48.06 ? 157 ASP A O 1 ATOM 1223 C CB . ASP A 1 157 ? 24.274 80.485 27.324 1.00 49.37 ? 157 ASP A CB 1 ATOM 1224 C CG . ASP A 1 157 ? 25.683 81.016 27.458 1.00 51.62 ? 157 ASP A CG 1 ATOM 1225 O OD1 . ASP A 1 157 ? 26.617 80.218 27.407 1.00 50.78 ? 157 ASP A OD1 1 ATOM 1226 O OD2 . ASP A 1 157 ? 25.861 82.238 27.601 1.00 54.72 ? 157 ASP A OD2 1 ATOM 1227 N N . CYS A 1 158 ? 22.554 77.600 27.515 1.00 49.04 ? 158 CYS A N 1 ATOM 1228 C CA . CYS A 1 158 ? 21.214 77.090 27.718 1.00 50.68 ? 158 CYS A CA 1 ATOM 1229 C C . CYS A 1 158 ? 20.290 78.158 28.257 1.00 51.00 ? 158 CYS A C 1 ATOM 1230 O O . CYS A 1 158 ? 20.678 78.966 29.107 1.00 49.48 ? 158 CYS A O 1 ATOM 1231 C CB . CYS A 1 158 ? 21.203 75.922 28.689 1.00 52.01 ? 158 CYS A CB 1 ATOM 1232 S SG . CYS A 1 158 ? 22.175 74.573 28.096 1.00 56.20 ? 158 CYS A SG 1 ATOM 1233 N N . GLU A 1 159 ? 19.076 78.157 27.716 1.00 51.26 ? 159 GLU A N 1 ATOM 1234 C CA . GLU A 1 159 ? 17.976 78.969 28.181 1.00 53.49 ? 159 GLU A CA 1 ATOM 1235 C C . GLU A 1 159 ? 16.712 78.130 28.180 1.00 53.19 ? 159 GLU A C 1 ATOM 1236 O O . GLU A 1 159 ? 16.288 77.648 27.141 1.00 52.64 ? 159 GLU A O 1 ATOM 1237 C CB . GLU A 1 159 ? 17.719 80.118 27.231 1.00 54.24 ? 159 GLU A CB 1 ATOM 1238 C CG . GLU A 1 159 ? 18.865 81.033 27.049 1.00 57.40 ? 159 GLU A CG 1 ATOM 1239 C CD . GLU A 1 159 ? 18.427 82.333 26.363 1.00 60.71 ? 159 GLU A CD 1 ATOM 1240 O OE1 . GLU A 1 159 ? 17.346 82.348 25.686 1.00 68.12 ? 159 GLU A OE1 1 ATOM 1241 O OE2 . GLU A 1 159 ? 19.175 83.335 26.522 1.00 70.18 ? 159 GLU A OE2 1 ATOM 1242 N N . ALA A 1 160 ? 16.093 77.999 29.341 1.00 53.51 ? 160 ALA A N 1 ATOM 1243 C CA . ALA A 1 160 ? 14.955 77.094 29.483 1.00 53.44 ? 160 ALA A CA 1 ATOM 1244 C C . ALA A 1 160 ? 13.769 77.483 28.564 1.00 53.80 ? 160 ALA A C 1 ATOM 1245 O O . ALA A 1 160 ? 13.051 76.602 28.052 1.00 54.39 ? 160 ALA A O 1 ATOM 1246 C CB . ALA A 1 160 ? 14.511 77.080 30.918 1.00 53.87 ? 160 ALA A CB 1 ATOM 1247 N N . THR A 1 161 ? 13.596 78.782 28.356 1.00 52.74 ? 161 THR A N 1 ATOM 1248 C CA . THR A 1 161 ? 12.520 79.281 27.501 1.00 53.26 ? 161 THR A CA 1 ATOM 1249 C C . THR A 1 161 ? 12.845 79.382 26.006 1.00 53.15 ? 161 THR A C 1 ATOM 1250 O O . THR A 1 161 ? 12.015 79.853 25.231 1.00 53.55 ? 161 THR A O 1 ATOM 1251 C CB . THR A 1 161 ? 12.067 80.653 27.981 1.00 53.28 ? 161 THR A CB 1 ATOM 1252 O OG1 . THR A 1 161 ? 13.168 81.589 27.909 1.00 55.90 ? 161 THR A OG1 1 ATOM 1253 C CG2 . THR A 1 161 ? 11.520 80.513 29.406 1.00 52.99 ? 161 THR A CG2 1 ATOM 1254 N N . SER A 1 162 ? 14.037 78.982 25.596 1.00 51.08 ? 162 SER A N 1 ATOM 1255 C CA . SER A 1 162 ? 14.404 79.125 24.203 1.00 51.64 ? 162 SER A CA 1 ATOM 1256 C C . SER A 1 162 ? 13.816 77.976 23.389 1.00 51.42 ? 162 SER A C 1 ATOM 1257 O O . SER A 1 162 ? 14.249 76.813 23.509 1.00 51.16 ? 162 SER A O 1 ATOM 1258 C CB . SER A 1 162 ? 15.928 79.147 24.031 1.00 51.22 ? 162 SER A CB 1 ATOM 1259 O OG . SER A 1 162 ? 16.263 78.901 22.696 1.00 52.91 ? 162 SER A OG 1 ATOM 1260 N N . LEU A 1 163 ? 12.873 78.310 22.520 1.00 50.33 ? 163 LEU A N 1 ATOM 1261 C CA . LEU A 1 163 ? 12.254 77.324 21.651 1.00 51.88 ? 163 LEU A CA 1 ATOM 1262 C C . LEU A 1 163 ? 13.261 76.631 20.707 1.00 51.47 ? 163 LEU A C 1 ATOM 1263 O O . LEU A 1 163 ? 13.188 75.396 20.428 1.00 51.12 ? 163 LEU A O 1 ATOM 1264 C CB . LEU A 1 163 ? 11.106 77.994 20.885 1.00 53.02 ? 163 LEU A CB 1 ATOM 1265 C CG . LEU A 1 163 ? 9.705 78.090 21.521 1.00 54.30 ? 163 LEU A CG 1 ATOM 1266 C CD1 . LEU A 1 163 ? 9.718 78.344 22.945 1.00 57.08 ? 163 LEU A CD1 1 ATOM 1267 C CD2 . LEU A 1 163 ? 8.819 79.131 20.782 1.00 52.46 ? 163 LEU A CD2 1 ATOM 1268 N N . GLN A 1 164 ? 14.278 77.385 20.306 1.00 50.96 ? 164 GLN A N 1 ATOM 1269 C CA . GLN A 1 164 ? 15.257 76.916 19.345 1.00 52.20 ? 164 GLN A CA 1 ATOM 1270 C C . GLN A 1 164 ? 16.205 75.890 19.952 1.00 51.14 ? 164 GLN A C 1 ATOM 1271 O O . GLN A 1 164 ? 16.964 75.260 19.251 1.00 51.53 ? 164 GLN A O 1 ATOM 1272 C CB . GLN A 1 164 ? 16.108 78.068 18.838 1.00 51.90 ? 164 GLN A CB 1 ATOM 1273 C CG . GLN A 1 164 ? 15.516 79.050 17.863 1.00 58.24 ? 164 GLN A CG 1 ATOM 1274 C CD . GLN A 1 164 ? 16.483 80.282 17.727 1.00 58.47 ? 164 GLN A CD 1 ATOM 1275 O OE1 . GLN A 1 164 ? 17.501 80.245 16.990 1.00 63.11 ? 164 GLN A OE1 1 ATOM 1276 N NE2 . GLN A 1 164 ? 16.215 81.321 18.528 1.00 63.57 ? 164 GLN A NE2 1 ATOM 1277 N N . GLN A 1 165 ? 16.152 75.716 21.263 1.00 50.88 ? 165 GLN A N 1 ATOM 1278 C CA . GLN A 1 165 ? 16.946 74.709 21.932 1.00 50.95 ? 165 GLN A CA 1 ATOM 1279 C C . GLN A 1 165 ? 16.188 73.423 22.283 1.00 51.49 ? 165 GLN A C 1 ATOM 1280 O O . GLN A 1 165 ? 16.695 72.586 23.059 1.00 50.63 ? 165 GLN A O 1 ATOM 1281 C CB . GLN A 1 165 ? 17.563 75.325 23.211 1.00 50.30 ? 165 GLN A CB 1 ATOM 1282 C CG . GLN A 1 165 ? 18.673 76.351 22.905 1.00 50.64 ? 165 GLN A CG 1 ATOM 1283 C CD . GLN A 1 165 ? 19.229 77.027 24.126 1.00 51.19 ? 165 GLN A CD 1 ATOM 1284 O OE1 . GLN A 1 165 ? 18.901 76.645 25.275 1.00 52.38 ? 165 GLN A OE1 1 ATOM 1285 N NE2 . GLN A 1 165 ? 20.071 78.068 23.906 1.00 49.08 ? 165 GLN A NE2 1 ATOM 1286 N N . GLN A 1 166 ? 14.972 73.278 21.765 1.00 51.63 ? 166 GLN A N 1 ATOM 1287 C CA . GLN A 1 166 ? 14.117 72.158 22.124 1.00 51.79 ? 166 GLN A CA 1 ATOM 1288 C C . GLN A 1 166 ? 14.042 71.202 20.933 1.00 51.52 ? 166 GLN A C 1 ATOM 1289 O O . GLN A 1 166 ? 13.802 71.638 19.808 1.00 52.29 ? 166 GLN A O 1 ATOM 1290 C CB . GLN A 1 166 ? 12.720 72.671 22.574 1.00 51.13 ? 166 GLN A CB 1 ATOM 1291 C CG . GLN A 1 166 ? 12.807 73.716 23.678 1.00 53.02 ? 166 GLN A CG 1 ATOM 1292 C CD . GLN A 1 166 ? 11.467 74.229 24.158 1.00 53.40 ? 166 GLN A CD 1 ATOM 1293 O OE1 . GLN A 1 166 ? 10.452 74.068 23.482 1.00 54.57 ? 166 GLN A OE1 1 ATOM 1294 N NE2 . GLN A 1 166 ? 11.454 74.826 25.345 1.00 51.97 ? 166 GLN A NE2 1 ATOM 1295 N N . TRP A 1 167 ? 14.300 69.921 21.210 1.00 51.55 ? 167 TRP A N 1 ATOM 1296 C CA . TRP A 1 167 ? 14.435 68.874 20.220 1.00 51.39 ? 167 TRP A CA 1 ATOM 1297 C C . TRP A 1 167 ? 13.427 67.773 20.519 1.00 51.35 ? 167 TRP A C 1 ATOM 1298 O O . TRP A 1 167 ? 13.283 67.321 21.688 1.00 52.36 ? 167 TRP A O 1 ATOM 1299 C CB . TRP A 1 167 ? 15.873 68.301 20.205 1.00 52.14 ? 167 TRP A CB 1 ATOM 1300 C CG . TRP A 1 167 ? 16.858 69.404 19.963 1.00 51.99 ? 167 TRP A CG 1 ATOM 1301 C CD1 . TRP A 1 167 ? 17.606 70.055 20.902 1.00 51.09 ? 167 TRP A CD1 1 ATOM 1302 C CD2 . TRP A 1 167 ? 17.199 69.978 18.702 1.00 51.32 ? 167 TRP A CD2 1 ATOM 1303 N NE1 . TRP A 1 167 ? 18.404 71.006 20.295 1.00 52.81 ? 167 TRP A NE1 1 ATOM 1304 C CE2 . TRP A 1 167 ? 18.172 70.979 18.943 1.00 52.39 ? 167 TRP A CE2 1 ATOM 1305 C CE3 . TRP A 1 167 ? 16.773 69.750 17.383 1.00 53.97 ? 167 TRP A CE3 1 ATOM 1306 C CZ2 . TRP A 1 167 ? 18.733 71.745 17.908 1.00 51.98 ? 167 TRP A CZ2 1 ATOM 1307 C CZ3 . TRP A 1 167 ? 17.285 70.513 16.379 1.00 52.34 ? 167 TRP A CZ3 1 ATOM 1308 C CH2 . TRP A 1 167 ? 18.280 71.524 16.646 1.00 51.99 ? 167 TRP A CH2 1 ATOM 1309 N N . ALA A 1 168 ? 12.750 67.335 19.470 1.00 50.43 ? 168 ALA A N 1 ATOM 1310 C CA . ALA A 1 168 ? 11.829 66.184 19.555 1.00 51.20 ? 168 ALA A CA 1 ATOM 1311 C C . ALA A 1 168 ? 12.572 64.946 19.034 1.00 51.18 ? 168 ALA A C 1 ATOM 1312 O O . ALA A 1 168 ? 12.994 64.884 17.867 1.00 52.10 ? 168 ALA A O 1 ATOM 1313 C CB . ALA A 1 168 ? 10.496 66.428 18.809 1.00 47.61 ? 168 ALA A CB 1 ATOM 1314 N N . LEU A 1 169 ? 12.749 63.970 19.915 1.00 50.88 ? 169 LEU A N 1 ATOM 1315 C CA . LEU A 1 169 ? 13.519 62.744 19.575 1.00 51.23 ? 169 LEU A CA 1 ATOM 1316 C C . LEU A 1 169 ? 12.473 61.719 19.126 1.00 49.90 ? 169 LEU A C 1 ATOM 1317 O O . LEU A 1 169 ? 11.680 61.254 19.912 1.00 51.14 ? 169 LEU A O 1 ATOM 1318 C CB . LEU A 1 169 ? 14.235 62.255 20.794 1.00 52.00 ? 169 LEU A CB 1 ATOM 1319 C CG . LEU A 1 169 ? 15.118 63.342 21.410 1.00 56.07 ? 169 LEU A CG 1 ATOM 1320 C CD1 . LEU A 1 169 ? 15.759 62.785 22.745 1.00 60.41 ? 169 LEU A CD1 1 ATOM 1321 C CD2 . LEU A 1 169 ? 16.148 63.815 20.406 1.00 57.28 ? 169 LEU A CD2 1 ATOM 1322 N N . TYR A 1 170 ? 12.418 61.499 17.828 1.00 49.02 ? 170 TYR A N 1 ATOM 1323 C CA . TYR A 1 170 ? 11.352 60.723 17.188 1.00 50.49 ? 170 TYR A CA 1 ATOM 1324 C C . TYR A 1 170 ? 11.726 59.244 17.147 1.00 50.11 ? 170 TYR A C 1 ATOM 1325 O O . TYR A 1 170 ? 12.881 58.877 17.215 1.00 50.70 ? 170 TYR A O 1 ATOM 1326 C CB . TYR A 1 170 ? 11.120 61.244 15.743 1.00 51.14 ? 170 TYR A CB 1 ATOM 1327 C CG . TYR A 1 170 ? 9.982 62.218 15.651 1.00 51.15 ? 170 TYR A CG 1 ATOM 1328 C CD1 . TYR A 1 170 ? 10.042 63.440 16.306 1.00 50.11 ? 170 TYR A CD1 1 ATOM 1329 C CD2 . TYR A 1 170 ? 8.856 61.933 14.889 1.00 52.76 ? 170 TYR A CD2 1 ATOM 1330 C CE1 . TYR A 1 170 ? 9.005 64.350 16.253 1.00 50.66 ? 170 TYR A CE1 1 ATOM 1331 C CE2 . TYR A 1 170 ? 7.754 62.853 14.829 1.00 54.05 ? 170 TYR A CE2 1 ATOM 1332 C CZ . TYR A 1 170 ? 7.843 64.048 15.529 1.00 52.78 ? 170 TYR A CZ 1 ATOM 1333 O OH . TYR A 1 170 ? 6.830 64.963 15.479 1.00 53.78 ? 170 TYR A OH 1 ATOM 1334 N N . GLY A 1 171 ? 10.712 58.407 17.026 1.00 49.74 ? 171 GLY A N 1 ATOM 1335 C CA . GLY A 1 171 ? 10.934 56.964 16.988 1.00 49.81 ? 171 GLY A CA 1 ATOM 1336 C C . GLY A 1 171 ? 11.719 56.408 15.837 1.00 48.60 ? 171 GLY A C 1 ATOM 1337 O O . GLY A 1 171 ? 12.246 55.308 15.959 1.00 48.69 ? 171 GLY A O 1 ATOM 1338 N N . ASP A 1 172 ? 11.782 57.141 14.721 1.00 48.43 ? 172 ASP A N 1 ATOM 1339 C CA . ASP A 1 172 ? 12.625 56.795 13.602 1.00 49.36 ? 172 ASP A CA 1 ATOM 1340 C C . ASP A 1 172 ? 14.116 57.160 13.760 1.00 48.69 ? 172 ASP A C 1 ATOM 1341 O O . ASP A 1 172 ? 14.885 57.080 12.807 1.00 50.33 ? 172 ASP A O 1 ATOM 1342 C CB . ASP A 1 172 ? 12.099 57.409 12.293 1.00 49.24 ? 172 ASP A CB 1 ATOM 1343 C CG . ASP A 1 172 ? 11.940 58.910 12.368 1.00 53.28 ? 172 ASP A CG 1 ATOM 1344 O OD1 . ASP A 1 172 ? 12.344 59.501 13.415 1.00 50.83 ? 172 ASP A OD1 1 ATOM 1345 O OD2 . ASP A 1 172 ? 11.423 59.484 11.373 1.00 50.52 ? 172 ASP A OD2 1 ATOM 1346 N N . ARG A 1 173 ? 14.504 57.620 14.941 1.00 49.75 ? 173 ARG A N 1 ATOM 1347 C CA . ARG A 1 173 ? 15.902 57.950 15.274 1.00 48.92 ? 173 ARG A CA 1 ATOM 1348 C C . ARG A 1 173 ? 16.379 59.213 14.638 1.00 50.58 ? 173 ARG A C 1 ATOM 1349 O O . ARG A 1 173 ? 17.615 59.424 14.409 1.00 53.13 ? 173 ARG A O 1 ATOM 1350 C CB . ARG A 1 173 ? 16.850 56.776 15.035 1.00 49.89 ? 173 ARG A CB 1 ATOM 1351 C CG . ARG A 1 173 ? 16.363 55.446 15.527 1.00 49.58 ? 173 ARG A CG 1 ATOM 1352 C CD . ARG A 1 173 ? 16.200 55.371 17.040 1.00 49.83 ? 173 ARG A CD 1 ATOM 1353 N NE . ARG A 1 173 ? 15.730 54.062 17.491 1.00 50.59 ? 173 ARG A NE 1 ATOM 1354 C CZ . ARG A 1 173 ? 16.152 53.383 18.534 1.00 53.59 ? 173 ARG A CZ 1 ATOM 1355 N NH1 . ARG A 1 173 ? 15.571 52.224 18.869 1.00 50.66 ? 173 ARG A NH1 1 ATOM 1356 N NH2 . ARG A 1 173 ? 17.208 53.817 19.228 1.00 57.41 ? 173 ARG A NH2 1 ATOM 1357 N N . THR A 1 174 ? 15.416 60.096 14.380 1.00 50.48 ? 174 THR A N 1 ATOM 1358 C CA . THR A 1 174 ? 15.668 61.438 13.926 1.00 50.94 ? 174 THR A CA 1 ATOM 1359 C C . THR A 1 174 ? 15.583 62.394 15.117 1.00 51.76 ? 174 THR A C 1 ATOM 1360 O O . THR A 1 174 ? 15.000 62.069 16.159 1.00 51.85 ? 174 THR A O 1 ATOM 1361 C CB . THR A 1 174 ? 14.676 61.926 12.828 1.00 51.06 ? 174 THR A CB 1 ATOM 1362 O OG1 . THR A 1 174 ? 13.339 61.971 13.361 1.00 49.66 ? 174 THR A OG1 1 ATOM 1363 C CG2 . THR A 1 174 ? 14.824 61.026 11.544 1.00 50.20 ? 174 THR A CG2 1 ATOM 1364 N N . ILE A 1 175 ? 16.214 63.552 14.936 1.00 51.31 ? 175 ILE A N 1 ATOM 1365 C CA . ILE A 1 175 ? 16.233 64.609 15.950 1.00 51.62 ? 175 ILE A CA 1 ATOM 1366 C C . ILE A 1 175 ? 15.613 65.828 15.292 1.00 52.23 ? 175 ILE A C 1 ATOM 1367 O O . ILE A 1 175 ? 16.197 66.377 14.368 1.00 52.41 ? 175 ILE A O 1 ATOM 1368 C CB . ILE A 1 175 ? 17.686 64.939 16.380 1.00 50.20 ? 175 ILE A CB 1 ATOM 1369 C CG1 . ILE A 1 175 ? 18.364 63.693 16.992 1.00 52.22 ? 175 ILE A CG1 1 ATOM 1370 C CG2 . ILE A 1 175 ? 17.657 66.068 17.433 1.00 49.69 ? 175 ILE A CG2 1 ATOM 1371 C CD1 . ILE A 1 175 ? 19.951 63.872 17.207 1.00 51.57 ? 175 ILE A CD1 1 ATOM 1372 N N . ARG A 1 176 ? 14.408 66.177 15.702 1.00 52.01 ? 176 ARG A N 1 ATOM 1373 C CA . ARG A 1 176 ? 13.638 67.191 15.024 1.00 51.59 ? 176 ARG A CA 1 ATOM 1374 C C . ARG A 1 176 ? 13.563 68.491 15.807 1.00 50.83 ? 176 ARG A C 1 ATOM 1375 O O . ARG A 1 176 ? 13.612 68.524 17.046 1.00 50.86 ? 176 ARG A O 1 ATOM 1376 C CB . ARG A 1 176 ? 12.246 66.670 14.703 1.00 52.71 ? 176 ARG A CB 1 ATOM 1377 C CG . ARG A 1 176 ? 12.314 65.253 14.128 1.00 55.54 ? 176 ARG A CG 1 ATOM 1378 C CD . ARG A 1 176 ? 11.377 65.044 13.096 1.00 55.79 ? 176 ARG A CD 1 ATOM 1379 N NE . ARG A 1 176 ? 11.489 63.742 12.433 1.00 54.92 ? 176 ARG A NE 1 ATOM 1380 C CZ . ARG A 1 176 ? 10.654 63.376 11.459 1.00 56.01 ? 176 ARG A CZ 1 ATOM 1381 N NH1 . ARG A 1 176 ? 10.742 62.179 10.906 1.00 53.16 ? 176 ARG A NH1 1 ATOM 1382 N NH2 . ARG A 1 176 ? 9.697 64.224 11.077 1.00 53.52 ? 176 ARG A NH2 1 ATOM 1383 N N . VAL A 1 177 ? 13.414 69.570 15.055 1.00 50.77 ? 177 VAL A N 1 ATOM 1384 C CA . VAL A 1 177 ? 13.114 70.901 15.612 1.00 51.16 ? 177 VAL A CA 1 ATOM 1385 C C . VAL A 1 177 ? 11.749 70.802 16.294 1.00 50.86 ? 177 VAL A C 1 ATOM 1386 O O . VAL A 1 177 ? 10.742 70.493 15.657 1.00 50.46 ? 177 VAL A O 1 ATOM 1387 C CB . VAL A 1 177 ? 13.133 71.991 14.507 1.00 50.35 ? 177 VAL A CB 1 ATOM 1388 C CG1 . VAL A 1 177 ? 12.743 73.358 15.066 1.00 52.10 ? 177 VAL A CG1 1 ATOM 1389 C CG2 . VAL A 1 177 ? 14.542 72.021 13.827 1.00 50.75 ? 177 VAL A CG2 1 ATOM 1390 N N . ASN A 1 178 ? 11.702 71.054 17.597 1.00 51.53 ? 178 ASN A N 1 ATOM 1391 C CA . ASN A 1 178 ? 10.453 70.754 18.298 1.00 51.73 ? 178 ASN A CA 1 ATOM 1392 C C . ASN A 1 178 ? 9.262 71.613 17.845 1.00 52.05 ? 178 ASN A C 1 ATOM 1393 O O . ASN A 1 178 ? 8.131 71.132 17.765 1.00 50.76 ? 178 ASN A O 1 ATOM 1394 C CB . ASN A 1 178 ? 10.585 70.830 19.809 1.00 52.33 ? 178 ASN A CB 1 ATOM 1395 C CG . ASN A 1 178 ? 9.296 70.399 20.480 1.00 53.01 ? 178 ASN A CG 1 ATOM 1396 O OD1 . ASN A 1 178 ? 8.886 69.246 20.356 1.00 48.51 ? 178 ASN A OD1 1 ATOM 1397 N ND2 . ASN A 1 178 ? 8.641 71.323 21.115 1.00 57.37 ? 178 ASN A ND2 1 ATOM 1398 N N A SER A 1 179 ? 9.541 72.873 17.529 0.50 52.03 ? 179 SER A N 1 ATOM 1399 N N B SER A 1 179 ? 9.543 72.874 17.523 0.50 51.91 ? 179 SER A N 1 ATOM 1400 C CA A SER A 1 179 ? 8.511 73.800 17.093 0.50 52.33 ? 179 SER A CA 1 ATOM 1401 C CA B SER A 1 179 ? 8.525 73.810 17.061 0.50 52.10 ? 179 SER A CA 1 ATOM 1402 C C A SER A 1 179 ? 8.133 73.596 15.624 0.50 52.54 ? 179 SER A C 1 ATOM 1403 C C B SER A 1 179 ? 8.095 73.542 15.628 0.50 52.46 ? 179 SER A C 1 ATOM 1404 O O A SER A 1 179 ? 7.107 74.141 15.165 0.50 52.62 ? 179 SER A O 1 ATOM 1405 O O B SER A 1 179 ? 7.013 73.998 15.193 0.50 52.57 ? 179 SER A O 1 ATOM 1406 C CB A SER A 1 179 ? 8.976 75.247 17.313 0.50 52.53 ? 179 SER A CB 1 ATOM 1407 C CB B SER A 1 179 ? 9.058 75.244 17.131 0.50 52.23 ? 179 SER A CB 1 ATOM 1408 O OG A SER A 1 179 ? 9.314 75.489 18.676 0.50 52.10 ? 179 SER A OG 1 ATOM 1409 O OG B SER A 1 179 ? 10.103 75.446 16.194 0.50 50.32 ? 179 SER A OG 1 ATOM 1410 N N . THR A 1 180 ? 8.931 72.810 14.898 1.00 52.37 ? 180 THR A N 1 ATOM 1411 C CA . THR A 1 180 ? 8.752 72.621 13.453 1.00 52.71 ? 180 THR A CA 1 ATOM 1412 C C . THR A 1 180 ? 9.157 71.200 13.064 1.00 52.48 ? 180 THR A C 1 ATOM 1413 O O . THR A 1 180 ? 10.259 70.929 12.576 1.00 50.73 ? 180 THR A O 1 ATOM 1414 C CB . THR A 1 180 ? 9.550 73.694 12.636 1.00 54.32 ? 180 THR A CB 1 ATOM 1415 O OG1 . THR A 1 180 ? 9.393 74.999 13.248 1.00 55.52 ? 180 THR A OG1 1 ATOM 1416 C CG2 . THR A 1 180 ? 9.040 73.742 11.156 1.00 52.86 ? 180 THR A CG2 1 ATOM 1417 N N . ARG A 1 181 ? 8.253 70.271 13.331 1.00 51.34 ? 181 ARG A N 1 ATOM 1418 C CA . ARG A 1 181 ? 8.667 68.876 13.383 1.00 52.13 ? 181 ARG A CA 1 ATOM 1419 C C . ARG A 1 181 ? 8.876 68.220 12.026 1.00 52.57 ? 181 ARG A C 1 ATOM 1420 O O . ARG A 1 181 ? 9.217 67.028 11.949 1.00 52.08 ? 181 ARG A O 1 ATOM 1421 C CB . ARG A 1 181 ? 7.699 68.120 14.272 1.00 54.65 ? 181 ARG A CB 1 ATOM 1422 C CG . ARG A 1 181 ? 7.978 68.460 15.776 1.00 54.63 ? 181 ARG A CG 1 ATOM 1423 C CD . ARG A 1 181 ? 6.880 68.001 16.559 1.00 57.22 ? 181 ARG A CD 1 ATOM 1424 N NE . ARG A 1 181 ? 7.131 68.072 17.996 1.00 55.47 ? 181 ARG A NE 1 ATOM 1425 C CZ . ARG A 1 181 ? 6.496 67.331 18.883 1.00 59.30 ? 181 ARG A CZ 1 ATOM 1426 N NH1 . ARG A 1 181 ? 6.739 67.491 20.165 1.00 58.69 ? 181 ARG A NH1 1 ATOM 1427 N NH2 . ARG A 1 181 ? 5.579 66.440 18.499 1.00 63.25 ? 181 ARG A NH2 1 ATOM 1428 N N . GLY A 1 182 ? 8.685 68.988 10.953 1.00 50.93 ? 182 GLY A N 1 ATOM 1429 C CA . GLY A 1 182 ? 9.067 68.516 9.636 1.00 51.44 ? 182 GLY A CA 1 ATOM 1430 C C . GLY A 1 182 ? 10.546 68.758 9.314 1.00 51.67 ? 182 GLY A C 1 ATOM 1431 O O . GLY A 1 182 ? 10.987 68.405 8.228 1.00 52.97 ? 182 GLY A O 1 ATOM 1432 N N . LEU A 1 183 ? 11.285 69.373 10.233 1.00 50.83 ? 183 LEU A N 1 ATOM 1433 C CA . LEU A 1 183 ? 12.716 69.662 10.064 1.00 52.29 ? 183 LEU A CA 1 ATOM 1434 C C . LEU A 1 183 ? 13.543 68.821 11.001 1.00 52.24 ? 183 LEU A C 1 ATOM 1435 O O . LEU A 1 183 ? 13.172 68.678 12.176 1.00 51.43 ? 183 LEU A O 1 ATOM 1436 C CB . LEU A 1 183 ? 12.991 71.161 10.342 1.00 52.12 ? 183 LEU A CB 1 ATOM 1437 C CG . LEU A 1 183 ? 12.244 72.193 9.533 1.00 53.50 ? 183 LEU A CG 1 ATOM 1438 C CD1 . LEU A 1 183 ? 12.606 73.668 10.013 1.00 51.88 ? 183 LEU A CD1 1 ATOM 1439 C CD2 . LEU A 1 183 ? 12.489 71.963 8.001 1.00 54.37 ? 183 LEU A CD2 1 ATOM 1440 N N . CYS A 1 184 ? 14.659 68.284 10.461 1.00 53.10 ? 184 CYS A N 1 ATOM 1441 C CA . CYS A 1 184 ? 15.548 67.187 11.020 1.00 53.77 ? 184 CYS A CA 1 ATOM 1442 C C . CYS A 1 184 ? 17.001 67.789 11.115 1.00 53.35 ? 184 CYS A C 1 ATOM 1443 O O . CYS A 1 184 ? 17.480 68.493 10.179 1.00 52.19 ? 184 CYS A O 1 ATOM 1444 C CB . CYS A 1 184 ? 15.664 65.941 9.988 1.00 51.05 ? 184 CYS A CB 1 ATOM 1445 S SG . CYS A 1 184 ? 14.249 64.878 10.296 1.00 69.87 ? 184 CYS A SG 1 ATOM 1446 N N . VAL A 1 185 ? 17.707 67.420 12.181 1.00 52.76 ? 185 VAL A N 1 ATOM 1447 C CA . VAL A 1 185 ? 19.183 67.567 12.255 1.00 52.32 ? 185 VAL A CA 1 ATOM 1448 C C . VAL A 1 185 ? 19.769 66.660 11.181 1.00 52.17 ? 185 VAL A C 1 ATOM 1449 O O . VAL A 1 185 ? 19.475 65.488 11.139 1.00 52.04 ? 185 VAL A O 1 ATOM 1450 C CB . VAL A 1 185 ? 19.733 67.188 13.637 1.00 51.56 ? 185 VAL A CB 1 ATOM 1451 C CG1 . VAL A 1 185 ? 21.280 67.301 13.660 1.00 51.66 ? 185 VAL A CG1 1 ATOM 1452 C CG2 . VAL A 1 185 ? 19.079 68.070 14.700 1.00 50.84 ? 185 VAL A CG2 1 ATOM 1453 N N . THR A 1 186 ? 20.556 67.243 10.295 1.00 52.14 ? 186 THR A N 1 ATOM 1454 C CA . THR A 1 186 ? 20.986 66.581 9.056 1.00 51.98 ? 186 THR A CA 1 ATOM 1455 C C . THR A 1 186 ? 22.474 66.881 8.834 1.00 52.04 ? 186 THR A C 1 ATOM 1456 O O . THR A 1 186 ? 22.874 68.044 8.848 1.00 50.47 ? 186 THR A O 1 ATOM 1457 C CB . THR A 1 186 ? 20.169 67.126 7.830 1.00 52.07 ? 186 THR A CB 1 ATOM 1458 O OG1 . THR A 1 186 ? 18.744 66.982 8.053 1.00 50.04 ? 186 THR A OG1 1 ATOM 1459 C CG2 . THR A 1 186 ? 20.607 66.414 6.497 1.00 50.51 ? 186 THR A CG2 1 ATOM 1460 N N . THR A 1 187 ? 23.277 65.844 8.639 1.00 52.08 ? 187 THR A N 1 ATOM 1461 C CA . THR A 1 187 ? 24.642 66.066 8.163 1.00 53.16 ? 187 THR A CA 1 ATOM 1462 C C . THR A 1 187 ? 24.642 66.373 6.657 1.00 53.99 ? 187 THR A C 1 ATOM 1463 O O . THR A 1 187 ? 23.972 65.734 5.863 1.00 53.48 ? 187 THR A O 1 ATOM 1464 C CB . THR A 1 187 ? 25.637 64.926 8.590 1.00 53.11 ? 187 THR A CB 1 ATOM 1465 O OG1 . THR A 1 187 ? 26.986 65.277 8.147 1.00 53.64 ? 187 THR A OG1 1 ATOM 1466 C CG2 . THR A 1 187 ? 25.175 63.560 8.056 1.00 53.12 ? 187 THR A CG2 1 ATOM 1467 N N . ASN A 1 188 ? 25.356 67.412 6.276 1.00 55.41 ? 188 ASN A N 1 ATOM 1468 C CA . ASN A 1 188 ? 25.365 67.860 4.894 1.00 56.70 ? 188 ASN A CA 1 ATOM 1469 C C . ASN A 1 188 ? 26.447 67.116 4.181 1.00 57.98 ? 188 ASN A C 1 ATOM 1470 O O . ASN A 1 188 ? 27.457 67.714 3.803 1.00 60.94 ? 188 ASN A O 1 ATOM 1471 C CB . ASN A 1 188 ? 25.577 69.389 4.829 1.00 56.78 ? 188 ASN A CB 1 ATOM 1472 C CG . ASN A 1 188 ? 25.292 69.951 3.493 1.00 60.03 ? 188 ASN A CG 1 ATOM 1473 O OD1 . ASN A 1 188 ? 24.503 69.396 2.709 1.00 68.45 ? 188 ASN A OD1 1 ATOM 1474 N ND2 . ASN A 1 188 ? 25.970 71.043 3.170 1.00 68.83 ? 188 ASN A ND2 1 ATOM 1475 N N . GLY A 1 189 ? 26.299 65.785 4.125 1.00 57.93 ? 189 GLY A N 1 ATOM 1476 C CA . GLY A 1 189 ? 27.336 64.861 3.629 1.00 56.98 ? 189 GLY A CA 1 ATOM 1477 C C . GLY A 1 189 ? 27.791 63.810 4.635 1.00 56.11 ? 189 GLY A C 1 ATOM 1478 O O . GLY A 1 189 ? 27.515 63.899 5.850 1.00 54.91 ? 189 GLY A O 1 ATOM 1479 N N . TYR A 1 190 ? 28.547 62.831 4.137 1.00 54.57 ? 190 TYR A N 1 ATOM 1480 C CA . TYR A 1 190 ? 29.000 61.710 4.962 1.00 54.41 ? 190 TYR A CA 1 ATOM 1481 C C . TYR A 1 190 ? 30.510 61.733 5.238 1.00 53.79 ? 190 TYR A C 1 ATOM 1482 O O . TYR A 1 190 ? 31.027 60.810 5.836 1.00 54.34 ? 190 TYR A O 1 ATOM 1483 C CB . TYR A 1 190 ? 28.576 60.360 4.345 1.00 55.28 ? 190 TYR A CB 1 ATOM 1484 C CG . TYR A 1 190 ? 27.053 60.270 4.136 1.00 56.56 ? 190 TYR A CG 1 ATOM 1485 C CD1 . TYR A 1 190 ? 26.198 60.044 5.210 1.00 55.93 ? 190 TYR A CD1 1 ATOM 1486 C CD2 . TYR A 1 190 ? 26.467 60.481 2.871 1.00 58.63 ? 190 TYR A CD2 1 ATOM 1487 C CE1 . TYR A 1 190 ? 24.788 59.970 5.017 1.00 55.69 ? 190 TYR A CE1 1 ATOM 1488 C CE2 . TYR A 1 190 ? 25.066 60.450 2.698 1.00 59.40 ? 190 TYR A CE2 1 ATOM 1489 C CZ . TYR A 1 190 ? 24.238 60.177 3.755 1.00 56.48 ? 190 TYR A CZ 1 ATOM 1490 O OH . TYR A 1 190 ? 22.844 60.159 3.572 1.00 58.75 ? 190 TYR A OH 1 ATOM 1491 N N . ASN A 1 191 ? 31.179 62.817 4.882 1.00 52.74 ? 191 ASN A N 1 ATOM 1492 C CA . ASN A 1 191 ? 32.614 62.921 5.050 1.00 52.38 ? 191 ASN A CA 1 ATOM 1493 C C . ASN A 1 191 ? 32.939 63.689 6.316 1.00 52.25 ? 191 ASN A C 1 ATOM 1494 O O . ASN A 1 191 ? 32.165 64.546 6.773 1.00 51.72 ? 191 ASN A O 1 ATOM 1495 C CB . ASN A 1 191 ? 33.237 63.639 3.876 1.00 52.55 ? 191 ASN A CB 1 ATOM 1496 C CG . ASN A 1 191 ? 33.113 62.863 2.603 1.00 56.40 ? 191 ASN A CG 1 ATOM 1497 O OD1 . ASN A 1 191 ? 33.201 61.625 2.595 1.00 59.20 ? 191 ASN A OD1 1 ATOM 1498 N ND2 . ASN A 1 191 ? 32.868 63.569 1.523 1.00 60.80 ? 191 ASN A ND2 1 ATOM 1499 N N A SER A 1 192 ? 34.128 63.423 6.832 0.50 51.61 ? 192 SER A N 1 ATOM 1500 N N B SER A 1 192 ? 34.073 63.382 6.920 0.50 51.97 ? 192 SER A N 1 ATOM 1501 C CA A SER A 1 192 ? 34.641 64.123 7.984 0.50 51.30 ? 192 SER A CA 1 ATOM 1502 C CA B SER A 1 192 ? 34.442 64.087 8.122 0.50 51.82 ? 192 SER A CA 1 ATOM 1503 C C A SER A 1 192 ? 34.627 65.624 7.707 0.50 51.41 ? 192 SER A C 1 ATOM 1504 C C B SER A 1 192 ? 34.579 65.567 7.746 0.50 51.74 ? 192 SER A C 1 ATOM 1505 O O A SER A 1 192 ? 35.010 66.063 6.621 0.50 50.58 ? 192 SER A O 1 ATOM 1506 O O B SER A 1 192 ? 34.991 65.926 6.640 0.50 50.82 ? 192 SER A O 1 ATOM 1507 C CB A SER A 1 192 ? 36.079 63.655 8.276 0.50 51.16 ? 192 SER A CB 1 ATOM 1508 C CB B SER A 1 192 ? 35.737 63.529 8.729 0.50 52.53 ? 192 SER A CB 1 ATOM 1509 O OG A SER A 1 192 ? 36.511 64.169 9.514 0.50 48.35 ? 192 SER A OG 1 ATOM 1510 O OG B SER A 1 192 ? 36.818 63.925 7.948 0.50 51.99 ? 192 SER A OG 1 ATOM 1511 N N . LYS A 1 193 ? 34.185 66.395 8.698 1.00 51.72 ? 193 LYS A N 1 ATOM 1512 C CA . LYS A 1 193 ? 34.093 67.858 8.599 1.00 52.36 ? 193 LYS A CA 1 ATOM 1513 C C . LYS A 1 193 ? 32.857 68.366 7.847 1.00 52.63 ? 193 LYS A C 1 ATOM 1514 O O . LYS A 1 193 ? 32.691 69.571 7.721 1.00 52.35 ? 193 LYS A O 1 ATOM 1515 C CB . LYS A 1 193 ? 35.384 68.559 8.121 1.00 52.00 ? 193 LYS A CB 1 ATOM 1516 C CG . LYS A 1 193 ? 36.554 68.425 9.057 1.00 53.37 ? 193 LYS A CG 1 ATOM 1517 C CD . LYS A 1 193 ? 37.653 69.456 8.758 1.00 54.10 ? 193 LYS A CD 1 ATOM 1518 C CE . LYS A 1 193 ? 38.023 69.490 7.292 1.00 56.90 ? 193 LYS A CE 1 ATOM 1519 N NZ . LYS A 1 193 ? 39.154 70.432 7.058 1.00 56.53 ? 193 LYS A NZ 1 ATOM 1520 N N . ASP A 1 194 ? 31.985 67.478 7.378 1.00 52.25 ? 194 ASP A N 1 ATOM 1521 C CA . ASP A 1 194 ? 30.738 67.939 6.779 1.00 53.07 ? 194 ASP A CA 1 ATOM 1522 C C . ASP A 1 194 ? 29.900 68.546 7.912 1.00 52.92 ? 194 ASP A C 1 ATOM 1523 O O . ASP A 1 194 ? 29.959 68.091 9.078 1.00 51.25 ? 194 ASP A O 1 ATOM 1524 C CB . ASP A 1 194 ? 30.010 66.793 6.047 1.00 52.79 ? 194 ASP A CB 1 ATOM 1525 C CG . ASP A 1 194 ? 30.608 66.521 4.651 1.00 54.15 ? 194 ASP A CG 1 ATOM 1526 O OD1 . ASP A 1 194 ? 30.287 65.484 4.053 1.00 56.18 ? 194 ASP A OD1 1 ATOM 1527 O OD2 . ASP A 1 194 ? 31.490 67.284 4.199 1.00 55.19 ? 194 ASP A OD2 1 ATOM 1528 N N . LEU A 1 195 ? 29.176 69.614 7.568 1.00 53.59 ? 195 LEU A N 1 ATOM 1529 C CA . LEU A 1 195 ? 28.441 70.433 8.537 1.00 53.81 ? 195 LEU A CA 1 ATOM 1530 C C . LEU A 1 195 ? 27.088 69.873 8.881 1.00 53.51 ? 195 LEU A C 1 ATOM 1531 O O . LEU A 1 195 ? 26.355 69.409 8.019 1.00 53.80 ? 195 LEU A O 1 ATOM 1532 C CB . LEU A 1 195 ? 28.159 71.797 7.940 1.00 56.31 ? 195 LEU A CB 1 ATOM 1533 C CG . LEU A 1 195 ? 28.598 73.154 8.477 1.00 62.52 ? 195 LEU A CG 1 ATOM 1534 C CD1 . LEU A 1 195 ? 27.408 74.149 8.212 1.00 66.21 ? 195 LEU A CD1 1 ATOM 1535 C CD2 . LEU A 1 195 ? 29.110 73.240 9.908 1.00 62.52 ? 195 LEU A CD2 1 ATOM 1536 N N . ILE A 1 196 ? 26.710 70.029 10.138 1.00 51.93 ? 196 ILE A N 1 ATOM 1537 C CA . ILE A 1 196 ? 25.378 69.655 10.580 1.00 52.01 ? 196 ILE A CA 1 ATOM 1538 C C . ILE A 1 196 ? 24.471 70.888 10.505 1.00 50.96 ? 196 ILE A C 1 ATOM 1539 O O . ILE A 1 196 ? 24.809 71.946 11.052 1.00 49.08 ? 196 ILE A O 1 ATOM 1540 C CB . ILE A 1 196 ? 25.408 69.071 11.958 1.00 52.76 ? 196 ILE A CB 1 ATOM 1541 C CG1 . ILE A 1 196 ? 26.282 67.789 11.933 1.00 54.01 ? 196 ILE A CG1 1 ATOM 1542 C CG2 . ILE A 1 196 ? 23.951 68.679 12.424 1.00 51.75 ? 196 ILE A CG2 1 ATOM 1543 C CD1 . ILE A 1 196 ? 26.436 67.201 13.174 1.00 53.87 ? 196 ILE A CD1 1 ATOM 1544 N N . ILE A 1 197 ? 23.347 70.707 9.801 1.00 50.19 ? 197 ILE A N 1 ATOM 1545 C CA . ILE A 1 197 ? 22.391 71.765 9.493 1.00 50.89 ? 197 ILE A CA 1 ATOM 1546 C C . ILE A 1 197 ? 20.985 71.241 9.806 1.00 50.87 ? 197 ILE A C 1 ATOM 1547 O O . ILE A 1 197 ? 20.823 70.086 10.252 1.00 49.44 ? 197 ILE A O 1 ATOM 1548 C CB . ILE A 1 197 ? 22.480 72.242 7.992 1.00 51.01 ? 197 ILE A CB 1 ATOM 1549 C CG1 . ILE A 1 197 ? 22.082 71.105 7.028 1.00 50.95 ? 197 ILE A CG1 1 ATOM 1550 C CG2 . ILE A 1 197 ? 23.910 72.816 7.654 1.00 50.71 ? 197 ILE A CG2 1 ATOM 1551 C CD1 . ILE A 1 197 ? 21.886 71.544 5.526 1.00 50.21 ? 197 ILE A CD1 1 ATOM 1552 N N . ILE A 1 198 ? 20.006 72.110 9.584 1.00 51.56 ? 198 ILE A N 1 ATOM 1553 C CA . ILE A 1 198 ? 18.586 71.723 9.668 1.00 52.14 ? 198 ILE A CA 1 ATOM 1554 C C . ILE A 1 198 ? 18.066 71.660 8.230 1.00 52.25 ? 198 ILE A C 1 ATOM 1555 O O . ILE A 1 198 ? 18.205 72.621 7.488 1.00 51.48 ? 198 ILE A O 1 ATOM 1556 C CB . ILE A 1 198 ? 17.750 72.741 10.469 1.00 51.42 ? 198 ILE A CB 1 ATOM 1557 C CG1 . ILE A 1 198 ? 18.232 72.774 11.928 1.00 54.86 ? 198 ILE A CG1 1 ATOM 1558 C CG2 . ILE A 1 198 ? 16.212 72.432 10.339 1.00 50.60 ? 198 ILE A CG2 1 ATOM 1559 C CD1 . ILE A 1 198 ? 18.194 71.429 12.700 1.00 48.95 ? 198 ILE A CD1 1 ATOM 1560 N N . LEU A 1 199 ? 17.477 70.528 7.871 1.00 53.00 ? 199 LEU A N 1 ATOM 1561 C CA . LEU A 1 199 ? 16.837 70.350 6.556 1.00 54.16 ? 199 LEU A CA 1 ATOM 1562 C C . LEU A 1 199 ? 15.501 69.626 6.730 1.00 53.12 ? 199 LEU A C 1 ATOM 1563 O O . LEU A 1 199 ? 15.301 68.921 7.717 1.00 51.98 ? 199 LEU A O 1 ATOM 1564 C CB . LEU A 1 199 ? 17.782 69.467 5.757 1.00 54.22 ? 199 LEU A CB 1 ATOM 1565 C CG . LEU A 1 199 ? 17.736 69.489 4.258 1.00 57.14 ? 199 LEU A CG 1 ATOM 1566 C CD1 . LEU A 1 199 ? 18.189 70.901 3.680 1.00 57.76 ? 199 LEU A CD1 1 ATOM 1567 C CD2 . LEU A 1 199 ? 18.637 68.295 3.815 1.00 56.54 ? 199 LEU A CD2 1 ATOM 1568 N N . LYS A 1 200 ? 14.615 69.766 5.768 1.00 53.09 ? 200 LYS A N 1 ATOM 1569 C CA . LYS A 1 200 ? 13.354 69.022 5.755 1.00 54.15 ? 200 LYS A CA 1 ATOM 1570 C C . LYS A 1 200 ? 13.652 67.540 5.899 1.00 52.94 ? 200 LYS A C 1 ATOM 1571 O O . LYS A 1 200 ? 14.505 67.012 5.215 1.00 52.11 ? 200 LYS A O 1 ATOM 1572 C CB . LYS A 1 200 ? 12.571 69.291 4.452 1.00 54.81 ? 200 LYS A CB 1 ATOM 1573 C CG . LYS A 1 200 ? 11.324 68.403 4.290 1.00 56.51 ? 200 LYS A CG 1 ATOM 1574 C CD . LYS A 1 200 ? 10.672 68.511 2.890 1.00 59.42 ? 200 LYS A CD 1 ATOM 1575 C CE . LYS A 1 200 ? 9.381 67.628 2.835 1.00 62.21 ? 200 LYS A CE 1 ATOM 1576 N NZ . LYS A 1 200 ? 8.649 67.729 1.495 1.00 64.03 ? 200 LYS A NZ 1 ATOM 1577 N N . CYS A 1 201 ? 12.950 66.889 6.813 1.00 54.32 ? 201 CYS A N 1 ATOM 1578 C CA . CYS A 1 201 ? 13.040 65.422 7.013 1.00 54.89 ? 201 CYS A CA 1 ATOM 1579 C C . CYS A 1 201 ? 12.630 64.707 5.768 1.00 54.16 ? 201 CYS A C 1 ATOM 1580 O O . CYS A 1 201 ? 11.571 65.003 5.208 1.00 52.71 ? 201 CYS A O 1 ATOM 1581 C CB . CYS A 1 201 ? 12.105 64.977 8.123 1.00 57.48 ? 201 CYS A CB 1 ATOM 1582 S SG . CYS A 1 201 ? 12.458 65.803 9.717 1.00 64.82 ? 201 CYS A SG 1 ATOM 1583 N N . GLN A 1 202 ? 13.510 63.827 5.288 1.00 52.87 ? 202 GLN A N 1 ATOM 1584 C CA . GLN A 1 202 ? 13.307 63.113 4.023 1.00 53.37 ? 202 GLN A CA 1 ATOM 1585 C C . GLN A 1 202 ? 13.697 61.648 4.165 1.00 51.62 ? 202 GLN A C 1 ATOM 1586 O O . GLN A 1 202 ? 13.881 60.949 3.176 1.00 50.20 ? 202 GLN A O 1 ATOM 1587 C CB . GLN A 1 202 ? 14.136 63.774 2.904 1.00 54.02 ? 202 GLN A CB 1 ATOM 1588 C CG . GLN A 1 202 ? 13.694 65.202 2.557 1.00 56.97 ? 202 GLN A CG 1 ATOM 1589 C CD . GLN A 1 202 ? 14.834 65.989 1.873 1.00 58.70 ? 202 GLN A CD 1 ATOM 1590 O OE1 . GLN A 1 202 ? 15.192 65.662 0.722 1.00 63.64 ? 202 GLN A OE1 1 ATOM 1591 N NE2 . GLN A 1 202 ? 15.405 67.014 2.569 1.00 55.55 ? 202 GLN A NE2 1 ATOM 1592 N N . GLY A 1 203 ? 13.797 61.162 5.395 1.00 50.01 ? 203 GLY A N 1 ATOM 1593 C CA . GLY A 1 203 ? 14.122 59.755 5.592 1.00 51.69 ? 203 GLY A CA 1 ATOM 1594 C C . GLY A 1 203 ? 15.533 59.304 5.280 1.00 51.65 ? 203 GLY A C 1 ATOM 1595 O O . GLY A 1 203 ? 15.770 58.095 5.170 1.00 53.83 ? 203 GLY A O 1 ATOM 1596 N N . LEU A 1 204 ? 16.458 60.253 5.131 1.00 51.09 ? 204 LEU A N 1 ATOM 1597 C CA . LEU A 1 204 ? 17.846 59.986 4.643 1.00 51.55 ? 204 LEU A CA 1 ATOM 1598 C C . LEU A 1 204 ? 18.771 59.378 5.697 1.00 50.63 ? 204 LEU A C 1 ATOM 1599 O O . LEU A 1 204 ? 18.588 59.613 6.899 1.00 49.89 ? 204 LEU A O 1 ATOM 1600 C CB . LEU A 1 204 ? 18.486 61.286 4.148 1.00 51.26 ? 204 LEU A CB 1 ATOM 1601 C CG . LEU A 1 204 ? 17.690 62.070 3.091 1.00 55.43 ? 204 LEU A CG 1 ATOM 1602 C CD1 . LEU A 1 204 ? 18.330 63.484 2.848 1.00 54.49 ? 204 LEU A CD1 1 ATOM 1603 C CD2 . LEU A 1 204 ? 17.547 61.279 1.831 1.00 54.80 ? 204 LEU A CD2 1 ATOM 1604 N N . PRO A 1 205 ? 19.797 58.637 5.252 1.00 51.35 ? 205 PRO A N 1 ATOM 1605 C CA . PRO A 1 205 ? 20.843 58.227 6.195 1.00 51.71 ? 205 PRO A CA 1 ATOM 1606 C C . PRO A 1 205 ? 21.531 59.409 6.885 1.00 51.91 ? 205 PRO A C 1 ATOM 1607 O O . PRO A 1 205 ? 21.929 59.278 8.045 1.00 52.49 ? 205 PRO A O 1 ATOM 1608 C CB . PRO A 1 205 ? 21.808 57.391 5.346 1.00 51.90 ? 205 PRO A CB 1 ATOM 1609 C CG . PRO A 1 205 ? 20.983 56.961 4.139 1.00 51.66 ? 205 PRO A CG 1 ATOM 1610 C CD . PRO A 1 205 ? 20.021 58.103 3.889 1.00 51.60 ? 205 PRO A CD 1 ATOM 1611 N N . SER A 1 206 ? 21.571 60.578 6.235 1.00 51.55 ? 206 SER A N 1 ATOM 1612 C CA . SER A 1 206 ? 22.151 61.800 6.849 1.00 51.43 ? 206 SER A CA 1 ATOM 1613 C C . SER A 1 206 ? 21.299 62.410 7.993 1.00 52.39 ? 206 SER A C 1 ATOM 1614 O O . SER A 1 206 ? 21.717 63.378 8.653 1.00 53.42 ? 206 SER A O 1 ATOM 1615 C CB . SER A 1 206 ? 22.319 62.862 5.765 1.00 52.29 ? 206 SER A CB 1 ATOM 1616 O OG . SER A 1 206 ? 21.062 63.052 5.156 1.00 49.45 ? 206 SER A OG 1 ATOM 1617 N N . GLN A 1 207 ? 20.105 61.847 8.214 1.00 51.94 ? 207 GLN A N 1 ATOM 1618 C CA . GLN A 1 207 ? 19.141 62.310 9.215 1.00 52.00 ? 207 GLN A CA 1 ATOM 1619 C C . GLN A 1 207 ? 18.913 61.292 10.346 1.00 51.85 ? 207 GLN A C 1 ATOM 1620 O O . GLN A 1 207 ? 18.128 61.528 11.266 1.00 53.20 ? 207 GLN A O 1 ATOM 1621 C CB . GLN A 1 207 ? 17.831 62.691 8.510 1.00 51.47 ? 207 GLN A CB 1 ATOM 1622 C CG . GLN A 1 207 ? 18.092 63.784 7.492 1.00 51.73 ? 207 GLN A CG 1 ATOM 1623 C CD . GLN A 1 207 ? 16.894 64.181 6.664 1.00 53.13 ? 207 GLN A CD 1 ATOM 1624 O OE1 . GLN A 1 207 ? 16.126 63.306 6.194 1.00 51.71 ? 207 GLN A OE1 1 ATOM 1625 N NE2 . GLN A 1 207 ? 16.737 65.494 6.449 1.00 49.17 ? 207 GLN A NE2 1 ATOM 1626 N N . ARG A 1 208 ? 19.639 60.182 10.292 1.00 51.55 ? 208 ARG A N 1 ATOM 1627 C CA . ARG A 1 208 ? 19.575 59.168 11.284 1.00 51.75 ? 208 ARG A CA 1 ATOM 1628 C C . ARG A 1 208 ? 20.710 59.299 12.279 1.00 52.25 ? 208 ARG A C 1 ATOM 1629 O O . ARG A 1 208 ? 21.932 59.439 11.901 1.00 51.36 ? 208 ARG A O 1 ATOM 1630 C CB . ARG A 1 208 ? 19.596 57.788 10.635 1.00 52.97 ? 208 ARG A CB 1 ATOM 1631 C CG . ARG A 1 208 ? 19.571 56.693 11.673 1.00 55.66 ? 208 ARG A CG 1 ATOM 1632 C CD . ARG A 1 208 ? 18.783 55.591 11.281 1.00 57.74 ? 208 ARG A CD 1 ATOM 1633 N NE . ARG A 1 208 ? 18.854 54.424 12.166 1.00 54.16 ? 208 ARG A NE 1 ATOM 1634 C CZ . ARG A 1 208 ? 18.682 53.202 11.711 1.00 53.29 ? 208 ARG A CZ 1 ATOM 1635 N NH1 . ARG A 1 208 ? 18.401 52.995 10.400 1.00 52.37 ? 208 ARG A NH1 1 ATOM 1636 N NH2 . ARG A 1 208 ? 18.801 52.177 12.535 1.00 51.77 ? 208 ARG A NH2 1 ATOM 1637 N N . TRP A 1 209 ? 20.350 59.198 13.555 1.00 51.17 ? 209 TRP A N 1 ATOM 1638 C CA . TRP A 1 209 ? 21.311 59.343 14.657 1.00 52.29 ? 209 TRP A CA 1 ATOM 1639 C C . TRP A 1 209 ? 21.127 58.238 15.683 1.00 53.09 ? 209 TRP A C 1 ATOM 1640 O O . TRP A 1 209 ? 20.046 57.634 15.803 1.00 52.79 ? 209 TRP A O 1 ATOM 1641 C CB . TRP A 1 209 ? 21.175 60.730 15.298 1.00 53.06 ? 209 TRP A CB 1 ATOM 1642 C CG . TRP A 1 209 ? 21.377 61.852 14.296 1.00 51.50 ? 209 TRP A CG 1 ATOM 1643 C CD1 . TRP A 1 209 ? 20.397 62.549 13.616 1.00 53.15 ? 209 TRP A CD1 1 ATOM 1644 C CD2 . TRP A 1 209 ? 22.622 62.311 13.797 1.00 52.32 ? 209 TRP A CD2 1 ATOM 1645 N NE1 . TRP A 1 209 ? 20.983 63.432 12.739 1.00 53.75 ? 209 TRP A NE1 1 ATOM 1646 C CE2 . TRP A 1 209 ? 22.352 63.319 12.850 1.00 53.90 ? 209 TRP A CE2 1 ATOM 1647 C CE3 . TRP A 1 209 ? 23.969 62.002 14.102 1.00 52.71 ? 209 TRP A CE3 1 ATOM 1648 C CZ2 . TRP A 1 209 ? 23.380 64.014 12.180 1.00 53.85 ? 209 TRP A CZ2 1 ATOM 1649 C CZ3 . TRP A 1 209 ? 24.995 62.710 13.435 1.00 53.85 ? 209 TRP A CZ3 1 ATOM 1650 C CH2 . TRP A 1 209 ? 24.686 63.685 12.475 1.00 53.56 ? 209 TRP A CH2 1 ATOM 1651 N N . PHE A 1 210 ? 22.194 57.991 16.443 1.00 53.08 ? 210 PHE A N 1 ATOM 1652 C CA . PHE A 1 210 ? 22.195 56.972 17.475 1.00 53.30 ? 210 PHE A CA 1 ATOM 1653 C C . PHE A 1 210 ? 22.915 57.534 18.695 1.00 53.29 ? 210 PHE A C 1 ATOM 1654 O O . PHE A 1 210 ? 24.088 57.918 18.625 1.00 51.21 ? 210 PHE A O 1 ATOM 1655 C CB . PHE A 1 210 ? 22.858 55.691 16.934 1.00 54.94 ? 210 PHE A CB 1 ATOM 1656 C CG . PHE A 1 210 ? 23.032 54.603 17.969 1.00 55.77 ? 210 PHE A CG 1 ATOM 1657 C CD1 . PHE A 1 210 ? 21.956 54.170 18.718 1.00 56.82 ? 210 PHE A CD1 1 ATOM 1658 C CD2 . PHE A 1 210 ? 24.267 54.049 18.202 1.00 61.60 ? 210 PHE A CD2 1 ATOM 1659 C CE1 . PHE A 1 210 ? 22.111 53.164 19.715 1.00 59.75 ? 210 PHE A CE1 1 ATOM 1660 C CE2 . PHE A 1 210 ? 24.427 52.977 19.173 1.00 60.08 ? 210 PHE A CE2 1 ATOM 1661 C CZ . PHE A 1 210 ? 23.350 52.572 19.915 1.00 58.20 ? 210 PHE A CZ 1 ATOM 1662 N N . PHE A 1 211 ? 22.226 57.604 19.817 1.00 53.13 ? 211 PHE A N 1 ATOM 1663 C CA . PHE A 1 211 ? 22.878 58.006 21.083 1.00 54.67 ? 211 PHE A CA 1 ATOM 1664 C C . PHE A 1 211 ? 23.562 56.788 21.681 1.00 55.39 ? 211 PHE A C 1 ATOM 1665 O O . PHE A 1 211 ? 22.899 55.894 22.198 1.00 54.48 ? 211 PHE A O 1 ATOM 1666 C CB . PHE A 1 211 ? 21.893 58.597 22.051 1.00 55.51 ? 211 PHE A CB 1 ATOM 1667 C CG . PHE A 1 211 ? 21.363 59.954 21.627 1.00 56.79 ? 211 PHE A CG 1 ATOM 1668 C CD1 . PHE A 1 211 ? 20.394 60.064 20.647 1.00 59.92 ? 211 PHE A CD1 1 ATOM 1669 C CD2 . PHE A 1 211 ? 21.800 61.102 22.235 1.00 57.95 ? 211 PHE A CD2 1 ATOM 1670 C CE1 . PHE A 1 211 ? 19.874 61.319 20.285 1.00 61.14 ? 211 PHE A CE1 1 ATOM 1671 C CE2 . PHE A 1 211 ? 21.278 62.357 21.867 1.00 57.10 ? 211 PHE A CE2 1 ATOM 1672 C CZ . PHE A 1 211 ? 20.345 62.449 20.884 1.00 58.56 ? 211 PHE A CZ 1 ATOM 1673 N N . ASN A 1 212 ? 24.891 56.720 21.594 1.00 56.14 ? 212 ASN A N 1 ATOM 1674 C CA . ASN A 1 212 ? 25.564 55.487 21.977 1.00 57.93 ? 212 ASN A CA 1 ATOM 1675 C C . ASN A 1 212 ? 25.869 55.494 23.477 1.00 59.94 ? 212 ASN A C 1 ATOM 1676 O O . ASN A 1 212 ? 25.612 56.495 24.171 1.00 59.08 ? 212 ASN A O 1 ATOM 1677 C CB . ASN A 1 212 ? 26.805 55.149 21.104 1.00 57.11 ? 212 ASN A CB 1 ATOM 1678 C CG . ASN A 1 212 ? 28.022 56.000 21.411 1.00 58.76 ? 212 ASN A CG 1 ATOM 1679 O OD1 . ASN A 1 212 ? 28.024 56.763 22.358 1.00 62.04 ? 212 ASN A OD1 1 ATOM 1680 N ND2 . ASN A 1 212 ? 29.105 55.823 20.613 1.00 58.85 ? 212 ASN A ND2 1 ATOM 1681 N N . SER A 1 213 ? 26.365 54.364 23.957 1.00 61.14 ? 213 SER A N 1 ATOM 1682 C CA . SER A 1 213 ? 26.732 54.233 25.379 1.00 62.38 ? 213 SER A CA 1 ATOM 1683 C C . SER A 1 213 ? 27.976 55.093 25.801 1.00 63.83 ? 213 SER A C 1 ATOM 1684 O O . SER A 1 213 ? 28.261 55.221 26.999 1.00 66.54 ? 213 SER A O 1 ATOM 1685 C CB . SER A 1 213 ? 26.972 52.754 25.705 1.00 62.59 ? 213 SER A CB 1 ATOM 1686 O OG . SER A 1 213 ? 28.196 52.335 25.092 1.00 64.37 ? 213 SER A OG 1 ATOM 1687 N N . ASP A 1 214 ? 28.739 55.618 24.847 1.00 63.49 ? 214 ASP A N 1 ATOM 1688 C CA . ASP A 1 214 ? 29.910 56.435 25.152 1.00 62.71 ? 214 ASP A CA 1 ATOM 1689 C C . ASP A 1 214 ? 29.645 57.950 25.299 1.00 62.36 ? 214 ASP A C 1 ATOM 1690 O O . ASP A 1 214 ? 30.633 58.706 25.392 1.00 63.25 ? 214 ASP A O 1 ATOM 1691 C CB . ASP A 1 214 ? 30.979 56.248 24.046 1.00 64.72 ? 214 ASP A CB 1 ATOM 1692 C CG . ASP A 1 214 ? 31.681 54.854 24.111 1.00 66.76 ? 214 ASP A CG 1 ATOM 1693 O OD1 . ASP A 1 214 ? 31.857 54.320 25.221 1.00 68.50 ? 214 ASP A OD1 1 ATOM 1694 O OD2 . ASP A 1 214 ? 32.007 54.299 23.028 1.00 72.89 ? 214 ASP A OD2 1 ATOM 1695 N N . GLY A 1 215 ? 28.368 58.401 25.243 1.00 59.72 ? 215 GLY A N 1 ATOM 1696 C CA . GLY A 1 215 ? 28.048 59.843 25.224 1.00 57.46 ? 215 GLY A CA 1 ATOM 1697 C C . GLY A 1 215 ? 28.085 60.517 23.855 1.00 55.74 ? 215 GLY A C 1 ATOM 1698 O O . GLY A 1 215 ? 27.930 61.712 23.745 1.00 54.82 ? 215 GLY A O 1 ATOM 1699 N N . ALA A 1 216 ? 28.344 59.759 22.802 1.00 53.57 ? 216 ALA A N 1 ATOM 1700 C CA . ALA A 1 216 ? 28.396 60.310 21.455 1.00 54.29 ? 216 ALA A CA 1 ATOM 1701 C C . ALA A 1 216 ? 27.033 60.237 20.773 1.00 53.06 ? 216 ALA A C 1 ATOM 1702 O O . ALA A 1 216 ? 26.172 59.425 21.134 1.00 53.37 ? 216 ALA A O 1 ATOM 1703 C CB . ALA A 1 216 ? 29.502 59.608 20.562 1.00 53.93 ? 216 ALA A CB 1 ATOM 1704 N N . ILE A 1 217 ? 26.844 61.151 19.830 1.00 52.83 ? 217 ILE A N 1 ATOM 1705 C CA . ILE A 1 217 ? 25.767 61.085 18.865 1.00 51.98 ? 217 ILE A CA 1 ATOM 1706 C C . ILE A 1 217 ? 26.315 60.705 17.494 1.00 52.12 ? 217 ILE A C 1 ATOM 1707 O O . ILE A 1 217 ? 26.974 61.487 16.832 1.00 52.95 ? 217 ILE A O 1 ATOM 1708 C CB . ILE A 1 217 ? 24.921 62.363 18.806 1.00 51.47 ? 217 ILE A CB 1 ATOM 1709 C CG1 . ILE A 1 217 ? 24.465 62.780 20.204 1.00 52.91 ? 217 ILE A CG1 1 ATOM 1710 C CG2 . ILE A 1 217 ? 23.681 62.146 17.878 1.00 51.52 ? 217 ILE A CG2 1 ATOM 1711 C CD1 . ILE A 1 217 ? 23.773 64.228 20.255 1.00 50.86 ? 217 ILE A CD1 1 ATOM 1712 N N . VAL A 1 218 ? 26.035 59.460 17.130 1.00 51.80 ? 218 VAL A N 1 ATOM 1713 C CA . VAL A 1 218 ? 26.625 58.793 15.984 1.00 51.17 ? 218 VAL A CA 1 ATOM 1714 C C . VAL A 1 218 ? 25.677 58.811 14.798 1.00 51.66 ? 218 VAL A C 1 ATOM 1715 O O . VAL A 1 218 ? 24.461 58.576 14.960 1.00 51.18 ? 218 VAL A O 1 ATOM 1716 C CB . VAL A 1 218 ? 26.944 57.296 16.325 1.00 51.48 ? 218 VAL A CB 1 ATOM 1717 C CG1 . VAL A 1 218 ? 27.654 56.558 15.115 1.00 51.35 ? 218 VAL A CG1 1 ATOM 1718 C CG2 . VAL A 1 218 ? 27.836 57.170 17.613 1.00 52.02 ? 218 VAL A CG2 1 ATOM 1719 N N . ASN A 1 219 ? 26.227 59.089 13.615 1.00 52.22 ? 219 ASN A N 1 ATOM 1720 C CA . ASN A 1 219 ? 25.532 58.882 12.357 1.00 51.85 ? 219 ASN A CA 1 ATOM 1721 C C . ASN A 1 219 ? 25.894 57.505 11.842 1.00 51.56 ? 219 ASN A C 1 ATOM 1722 O O . ASN A 1 219 ? 27.025 57.275 11.412 1.00 52.74 ? 219 ASN A O 1 ATOM 1723 C CB . ASN A 1 219 ? 25.921 59.969 11.358 1.00 52.67 ? 219 ASN A CB 1 ATOM 1724 C CG . ASN A 1 219 ? 25.360 59.735 9.991 1.00 52.23 ? 219 ASN A CG 1 ATOM 1725 O OD1 . ASN A 1 219 ? 26.111 59.524 9.033 1.00 50.87 ? 219 ASN A OD1 1 ATOM 1726 N ND2 . ASN A 1 219 ? 24.045 59.852 9.875 1.00 50.03 ? 219 ASN A ND2 1 ATOM 1727 N N . PRO A 1 220 ? 24.960 56.562 11.906 1.00 51.12 ? 220 PRO A N 1 ATOM 1728 C CA . PRO A 1 220 ? 25.361 55.188 11.601 1.00 52.34 ? 220 PRO A CA 1 ATOM 1729 C C . PRO A 1 220 ? 25.958 54.936 10.205 1.00 52.20 ? 220 PRO A C 1 ATOM 1730 O O . PRO A 1 220 ? 26.857 54.158 10.080 1.00 50.19 ? 220 PRO A O 1 ATOM 1731 C CB . PRO A 1 220 ? 24.059 54.387 11.804 1.00 53.16 ? 220 PRO A CB 1 ATOM 1732 C CG . PRO A 1 220 ? 23.348 55.169 12.870 1.00 52.22 ? 220 PRO A CG 1 ATOM 1733 C CD . PRO A 1 220 ? 23.571 56.607 12.430 1.00 53.09 ? 220 PRO A CD 1 ATOM 1734 N N . LYS A 1 221 ? 25.434 55.588 9.182 1.00 52.31 ? 221 LYS A N 1 ATOM 1735 C CA . LYS A 1 221 ? 25.952 55.370 7.838 1.00 52.86 ? 221 LYS A CA 1 ATOM 1736 C C . LYS A 1 221 ? 27.433 55.784 7.740 1.00 52.22 ? 221 LYS A C 1 ATOM 1737 O O . LYS A 1 221 ? 28.314 55.026 7.314 1.00 52.95 ? 221 LYS A O 1 ATOM 1738 C CB . LYS A 1 221 ? 25.115 56.159 6.847 1.00 53.18 ? 221 LYS A CB 1 ATOM 1739 C CG . LYS A 1 221 ? 25.254 55.706 5.380 1.00 57.56 ? 221 LYS A CG 1 ATOM 1740 C CD . LYS A 1 221 ? 26.492 55.997 4.765 1.00 64.30 ? 221 LYS A CD 1 ATOM 1741 C CE . LYS A 1 221 ? 26.380 55.796 3.190 1.00 66.80 ? 221 LYS A CE 1 ATOM 1742 N NZ . LYS A 1 221 ? 26.282 54.301 2.867 1.00 73.34 ? 221 LYS A NZ 1 ATOM 1743 N N . SER A 1 222 ? 27.727 56.995 8.155 1.00 51.79 ? 222 SER A N 1 ATOM 1744 C CA . SER A 1 222 ? 29.111 57.457 8.078 1.00 52.06 ? 222 SER A CA 1 ATOM 1745 C C . SER A 1 222 ? 30.007 56.837 9.119 1.00 51.97 ? 222 SER A C 1 ATOM 1746 O O . SER A 1 222 ? 31.204 56.738 8.908 1.00 50.85 ? 222 SER A O 1 ATOM 1747 C CB . SER A 1 222 ? 29.178 58.971 8.173 1.00 52.36 ? 222 SER A CB 1 ATOM 1748 O OG . SER A 1 222 ? 28.905 59.405 9.479 1.00 50.55 ? 222 SER A OG 1 ATOM 1749 N N . ARG A 1 223 ? 29.423 56.394 10.242 1.00 51.34 ? 223 ARG A N 1 ATOM 1750 C CA . ARG A 1 223 ? 30.120 56.004 11.446 1.00 52.30 ? 223 ARG A CA 1 ATOM 1751 C C . ARG A 1 223 ? 30.679 57.204 12.257 1.00 52.92 ? 223 ARG A C 1 ATOM 1752 O O . ARG A 1 223 ? 31.231 57.029 13.341 1.00 54.67 ? 223 ARG A O 1 ATOM 1753 C CB . ARG A 1 223 ? 31.253 54.985 11.195 1.00 51.99 ? 223 ARG A CB 1 ATOM 1754 C CG . ARG A 1 223 ? 30.922 53.849 10.255 1.00 51.04 ? 223 ARG A CG 1 ATOM 1755 C CD . ARG A 1 223 ? 32.184 53.249 9.751 1.00 52.58 ? 223 ARG A CD 1 ATOM 1756 N NE . ARG A 1 223 ? 32.043 52.317 8.665 1.00 52.50 ? 223 ARG A NE 1 ATOM 1757 C CZ . ARG A 1 223 ? 31.788 52.643 7.417 1.00 53.02 ? 223 ARG A CZ 1 ATOM 1758 N NH1 . ARG A 1 223 ? 31.762 51.710 6.474 1.00 50.97 ? 223 ARG A NH1 1 ATOM 1759 N NH2 . ARG A 1 223 ? 31.582 53.911 7.116 1.00 54.89 ? 223 ARG A NH2 1 ATOM 1760 N N . LEU A 1 224 ? 30.536 58.407 11.730 1.00 51.43 ? 224 LEU A N 1 ATOM 1761 C CA . LEU A 1 224 ? 31.092 59.571 12.363 1.00 51.52 ? 224 LEU A CA 1 ATOM 1762 C C . LEU A 1 224 ? 30.116 60.156 13.386 1.00 50.95 ? 224 LEU A C 1 ATOM 1763 O O . LEU A 1 224 ? 28.938 59.808 13.407 1.00 51.18 ? 224 LEU A O 1 ATOM 1764 C CB . LEU A 1 224 ? 31.540 60.600 11.324 1.00 51.54 ? 224 LEU A CB 1 ATOM 1765 C CG . LEU A 1 224 ? 32.475 60.072 10.200 1.00 51.54 ? 224 LEU A CG 1 ATOM 1766 C CD1 . LEU A 1 224 ? 32.892 61.229 9.274 1.00 50.89 ? 224 LEU A CD1 1 ATOM 1767 C CD2 . LEU A 1 224 ? 33.728 59.297 10.723 1.00 49.94 ? 224 LEU A CD2 1 ATOM 1768 N N . VAL A 1 225 ? 30.644 61.038 14.230 1.00 50.50 ? 225 VAL A N 1 ATOM 1769 C CA . VAL A 1 225 ? 29.912 61.538 15.399 1.00 50.91 ? 225 VAL A CA 1 ATOM 1770 C C . VAL A 1 225 ? 29.815 63.062 15.408 1.00 51.28 ? 225 VAL A C 1 ATOM 1771 O O . VAL A 1 225 ? 30.625 63.738 14.786 1.00 50.05 ? 225 VAL A O 1 ATOM 1772 C CB . VAL A 1 225 ? 30.506 60.996 16.722 1.00 50.41 ? 225 VAL A CB 1 ATOM 1773 C CG1 . VAL A 1 225 ? 30.668 59.445 16.665 1.00 50.09 ? 225 VAL A CG1 1 ATOM 1774 C CG2 . VAL A 1 225 ? 31.841 61.730 17.167 1.00 51.08 ? 225 VAL A CG2 1 ATOM 1775 N N . MET A 1 226 ? 28.799 63.604 16.092 1.00 51.68 ? 226 MET A N 1 ATOM 1776 C CA . MET A 1 226 ? 28.676 65.047 16.206 1.00 52.87 ? 226 MET A CA 1 ATOM 1777 C C . MET A 1 226 ? 29.794 65.611 17.034 1.00 52.72 ? 226 MET A C 1 ATOM 1778 O O . MET A 1 226 ? 30.084 65.082 18.123 1.00 51.17 ? 226 MET A O 1 ATOM 1779 C CB . MET A 1 226 ? 27.401 65.487 16.910 1.00 52.90 ? 226 MET A CB 1 ATOM 1780 C CG . MET A 1 226 ? 26.195 65.162 16.220 1.00 59.39 ? 226 MET A CG 1 ATOM 1781 S SD . MET A 1 226 ? 24.797 66.189 16.890 1.00 61.94 ? 226 MET A SD 1 ATOM 1782 C CE . MET A 1 226 ? 23.652 65.303 15.945 1.00 60.35 ? 226 MET A CE 1 ATOM 1783 N N . ASP A 1 227 ? 30.328 66.736 16.564 1.00 52.51 ? 227 ASP A N 1 ATOM 1784 C CA . ASP A 1 227 ? 31.577 67.286 17.048 1.00 52.80 ? 227 ASP A CA 1 ATOM 1785 C C . ASP A 1 227 ? 31.491 68.819 16.968 1.00 51.74 ? 227 ASP A C 1 ATOM 1786 O O . ASP A 1 227 ? 31.190 69.388 15.910 1.00 50.73 ? 227 ASP A O 1 ATOM 1787 C CB . ASP A 1 227 ? 32.706 66.662 16.175 1.00 51.87 ? 227 ASP A CB 1 ATOM 1788 C CG . ASP A 1 227 ? 34.089 67.193 16.429 1.00 54.20 ? 227 ASP A CG 1 ATOM 1789 O OD1 . ASP A 1 227 ? 35.047 66.396 16.783 1.00 53.43 ? 227 ASP A OD1 1 ATOM 1790 O OD2 . ASP A 1 227 ? 34.293 68.413 16.197 1.00 56.02 ? 227 ASP A OD2 1 ATOM 1791 N N . VAL A 1 228 ? 31.724 69.477 18.101 1.00 52.03 ? 228 VAL A N 1 ATOM 1792 C CA . VAL A 1 228 ? 31.883 70.921 18.144 1.00 53.19 ? 228 VAL A CA 1 ATOM 1793 C C . VAL A 1 228 ? 33.241 71.276 17.545 1.00 54.13 ? 228 VAL A C 1 ATOM 1794 O O . VAL A 1 228 ? 34.293 71.017 18.143 1.00 53.53 ? 228 VAL A O 1 ATOM 1795 C CB . VAL A 1 228 ? 31.679 71.518 19.573 1.00 52.97 ? 228 VAL A CB 1 ATOM 1796 C CG1 . VAL A 1 228 ? 31.802 73.040 19.514 1.00 53.97 ? 228 VAL A CG1 1 ATOM 1797 C CG2 . VAL A 1 228 ? 30.284 71.080 20.175 1.00 52.36 ? 228 VAL A CG2 1 ATOM 1798 N N . ARG A 1 229 ? 33.196 71.878 16.347 1.00 54.66 ? 229 ARG A N 1 ATOM 1799 C CA . ARG A 1 229 ? 34.374 72.042 15.511 1.00 55.41 ? 229 ARG A CA 1 ATOM 1800 C C . ARG A 1 229 ? 35.517 72.749 16.223 1.00 55.02 ? 229 ARG A C 1 ATOM 1801 O O . ARG A 1 229 ? 35.371 73.839 16.757 1.00 54.51 ? 229 ARG A O 1 ATOM 1802 C CB . ARG A 1 229 ? 34.096 72.760 14.192 1.00 55.24 ? 229 ARG A CB 1 ATOM 1803 C CG . ARG A 1 229 ? 35.387 72.838 13.314 1.00 56.20 ? 229 ARG A CG 1 ATOM 1804 C CD . ARG A 1 229 ? 35.070 73.252 11.907 1.00 59.11 ? 229 ARG A CD 1 ATOM 1805 N NE . ARG A 1 229 ? 36.260 73.384 11.083 1.00 60.56 ? 229 ARG A NE 1 ATOM 1806 C CZ . ARG A 1 229 ? 36.286 73.224 9.761 1.00 66.36 ? 229 ARG A CZ 1 ATOM 1807 N NH1 . ARG A 1 229 ? 35.172 72.849 9.099 1.00 69.70 ? 229 ARG A NH1 1 ATOM 1808 N NH2 . ARG A 1 229 ? 37.450 73.394 9.097 1.00 65.98 ? 229 ARG A NH2 1 ATOM 1809 N N . ALA A 1 230 ? 36.659 72.071 16.199 1.00 55.81 ? 230 ALA A N 1 ATOM 1810 C CA . ALA A 1 230 ? 37.922 72.542 16.779 1.00 56.00 ? 230 ALA A CA 1 ATOM 1811 C C . ALA A 1 230 ? 37.761 72.894 18.263 1.00 56.21 ? 230 ALA A C 1 ATOM 1812 O O . ALA A 1 230 ? 38.502 73.701 18.797 1.00 56.47 ? 230 ALA A O 1 ATOM 1813 C CB . ALA A 1 230 ? 38.493 73.725 15.959 1.00 55.43 ? 230 ALA A CB 1 ATOM 1814 N N . SER A 1 231 ? 36.805 72.261 18.939 1.00 56.64 ? 231 SER A N 1 ATOM 1815 C CA . SER A 1 231 ? 36.464 72.614 20.317 1.00 57.78 ? 231 SER A CA 1 ATOM 1816 C C . SER A 1 231 ? 36.284 74.133 20.504 1.00 59.00 ? 231 SER A C 1 ATOM 1817 O O . SER A 1 231 ? 36.704 74.693 21.517 1.00 58.82 ? 231 SER A O 1 ATOM 1818 C CB . SER A 1 231 ? 37.541 72.067 21.283 1.00 57.65 ? 231 SER A CB 1 ATOM 1819 O OG . SER A 1 231 ? 37.511 70.655 21.265 1.00 57.42 ? 231 SER A OG 1 ATOM 1820 N N . ASN A 1 232 ? 35.680 74.790 19.519 1.00 59.69 ? 232 ASN A N 1 ATOM 1821 C CA . ASN A 1 232 ? 35.546 76.243 19.525 1.00 59.63 ? 232 ASN A CA 1 ATOM 1822 C C . ASN A 1 232 ? 34.082 76.637 19.282 1.00 59.59 ? 232 ASN A C 1 ATOM 1823 O O . ASN A 1 232 ? 33.603 76.599 18.146 1.00 58.27 ? 232 ASN A O 1 ATOM 1824 C CB . ASN A 1 232 ? 36.447 76.824 18.446 1.00 60.13 ? 232 ASN A CB 1 ATOM 1825 C CG . ASN A 1 232 ? 36.497 78.348 18.474 1.00 63.23 ? 232 ASN A CG 1 ATOM 1826 O OD1 . ASN A 1 232 ? 35.626 79.017 19.076 1.00 63.40 ? 232 ASN A OD1 1 ATOM 1827 N ND2 . ASN A 1 232 ? 37.538 78.907 17.805 1.00 70.45 ? 232 ASN A ND2 1 ATOM 1828 N N . VAL A 1 233 ? 33.367 77.003 20.351 1.00 59.87 ? 233 VAL A N 1 ATOM 1829 C CA . VAL A 1 233 ? 31.926 77.269 20.233 1.00 59.52 ? 233 VAL A CA 1 ATOM 1830 C C . VAL A 1 233 ? 31.672 78.545 19.452 1.00 60.20 ? 233 VAL A C 1 ATOM 1831 O O . VAL A 1 233 ? 30.612 78.693 18.846 1.00 60.14 ? 233 VAL A O 1 ATOM 1832 C CB . VAL A 1 233 ? 31.229 77.350 21.613 1.00 60.08 ? 233 VAL A CB 1 ATOM 1833 C CG1 . VAL A 1 233 ? 31.518 76.079 22.425 1.00 59.06 ? 233 VAL A CG1 1 ATOM 1834 C CG2 . VAL A 1 233 ? 31.642 78.615 22.396 1.00 58.17 ? 233 VAL A CG2 1 ATOM 1835 N N . SER A 1 234 ? 32.656 79.461 19.450 1.00 59.90 ? 234 SER A N 1 ATOM 1836 C CA . SER A 1 234 ? 32.528 80.717 18.749 1.00 60.42 ? 234 SER A CA 1 ATOM 1837 C C . SER A 1 234 ? 32.542 80.533 17.242 1.00 60.52 ? 234 SER A C 1 ATOM 1838 O O . SER A 1 234 ? 32.092 81.424 16.523 1.00 61.20 ? 234 SER A O 1 ATOM 1839 C CB . SER A 1 234 ? 33.661 81.673 19.153 1.00 60.59 ? 234 SER A CB 1 ATOM 1840 O OG . SER A 1 234 ? 33.765 81.664 20.565 1.00 63.25 ? 234 SER A OG 1 ATOM 1841 N N . LEU A 1 235 ? 33.068 79.408 16.754 1.00 60.14 ? 235 LEU A N 1 ATOM 1842 C CA . LEU A 1 235 ? 32.966 79.102 15.319 1.00 59.76 ? 235 LEU A CA 1 ATOM 1843 C C . LEU A 1 235 ? 31.518 78.896 14.875 1.00 59.27 ? 235 LEU A C 1 ATOM 1844 O O . LEU A 1 235 ? 31.202 79.080 13.702 1.00 58.00 ? 235 LEU A O 1 ATOM 1845 C CB . LEU A 1 235 ? 33.747 77.850 14.947 1.00 59.60 ? 235 LEU A CB 1 ATOM 1846 C CG . LEU A 1 235 ? 35.254 77.942 14.914 1.00 61.15 ? 235 LEU A CG 1 ATOM 1847 C CD1 . LEU A 1 235 ? 35.807 76.583 14.460 1.00 59.88 ? 235 LEU A CD1 1 ATOM 1848 C CD2 . LEU A 1 235 ? 35.737 79.106 13.997 1.00 61.18 ? 235 LEU A CD2 1 ATOM 1849 N N . ARG A 1 236 ? 30.644 78.521 15.809 1.00 58.52 ? 236 ARG A N 1 ATOM 1850 C CA . ARG A 1 236 ? 29.247 78.270 15.481 1.00 59.67 ? 236 ARG A CA 1 ATOM 1851 C C . ARG A 1 236 ? 29.122 77.250 14.336 1.00 58.46 ? 236 ARG A C 1 ATOM 1852 O O . ARG A 1 236 ? 28.324 77.425 13.405 1.00 55.93 ? 236 ARG A O 1 ATOM 1853 C CB . ARG A 1 236 ? 28.517 79.600 15.213 1.00 59.99 ? 236 ARG A CB 1 ATOM 1854 C CG . ARG A 1 236 ? 28.338 80.331 16.507 1.00 62.73 ? 236 ARG A CG 1 ATOM 1855 C CD . ARG A 1 236 ? 27.850 81.759 16.349 1.00 65.99 ? 236 ARG A CD 1 ATOM 1856 N NE . ARG A 1 236 ? 27.228 82.141 17.624 1.00 72.30 ? 236 ARG A NE 1 ATOM 1857 C CZ . ARG A 1 236 ? 27.895 82.437 18.747 1.00 74.78 ? 236 ARG A CZ 1 ATOM 1858 N NH1 . ARG A 1 236 ? 29.236 82.455 18.791 1.00 76.65 ? 236 ARG A NH1 1 ATOM 1859 N NH2 . ARG A 1 236 ? 27.207 82.751 19.842 1.00 76.17 ? 236 ARG A NH2 1 ATOM 1860 N N . GLU A 1 237 ? 29.945 76.188 14.445 1.00 57.76 ? 237 GLU A N 1 ATOM 1861 C CA . GLU A 1 237 ? 29.953 75.046 13.520 1.00 57.67 ? 237 GLU A CA 1 ATOM 1862 C C . GLU A 1 237 ? 30.030 73.712 14.266 1.00 55.70 ? 237 GLU A C 1 ATOM 1863 O O . GLU A 1 237 ? 30.949 73.473 15.083 1.00 55.24 ? 237 GLU A O 1 ATOM 1864 C CB . GLU A 1 237 ? 31.136 75.126 12.562 1.00 57.39 ? 237 GLU A CB 1 ATOM 1865 C CG . GLU A 1 237 ? 30.990 76.256 11.549 1.00 61.53 ? 237 GLU A CG 1 ATOM 1866 C CD . GLU A 1 237 ? 32.106 76.300 10.495 1.00 62.81 ? 237 GLU A CD 1 ATOM 1867 O OE1 . GLU A 1 237 ? 32.850 75.297 10.321 1.00 70.69 ? 237 GLU A OE1 1 ATOM 1868 O OE2 . GLU A 1 237 ? 32.198 77.358 9.816 1.00 71.62 ? 237 GLU A OE2 1 ATOM 1869 N N . ILE A 1 238 ? 29.055 72.862 13.984 1.00 52.91 ? 238 ILE A N 1 ATOM 1870 C CA . ILE A 1 238 ? 29.005 71.498 14.454 1.00 52.49 ? 238 ILE A CA 1 ATOM 1871 C C . ILE A 1 238 ? 29.147 70.622 13.197 1.00 51.21 ? 238 ILE A C 1 ATOM 1872 O O . ILE A 1 238 ? 28.513 70.890 12.153 1.00 50.41 ? 238 ILE A O 1 ATOM 1873 C CB . ILE A 1 238 ? 27.673 71.147 15.155 1.00 52.57 ? 238 ILE A CB 1 ATOM 1874 C CG1 . ILE A 1 238 ? 27.336 72.185 16.254 1.00 55.42 ? 238 ILE A CG1 1 ATOM 1875 C CG2 . ILE A 1 238 ? 27.652 69.710 15.681 1.00 52.56 ? 238 ILE A CG2 1 ATOM 1876 C CD1 . ILE A 1 238 ? 28.417 72.353 17.240 1.00 58.02 ? 238 ILE A CD1 1 ATOM 1877 N N . ILE A 1 239 ? 30.043 69.641 13.296 1.00 50.47 ? 239 ILE A N 1 ATOM 1878 C CA . ILE A 1 239 ? 30.424 68.791 12.180 1.00 50.42 ? 239 ILE A CA 1 ATOM 1879 C C . ILE A 1 239 ? 30.270 67.330 12.579 1.00 49.68 ? 239 ILE A C 1 ATOM 1880 O O . ILE A 1 239 ? 30.076 67.003 13.762 1.00 48.80 ? 239 ILE A O 1 ATOM 1881 C CB . ILE A 1 239 ? 31.879 69.055 11.696 1.00 50.99 ? 239 ILE A CB 1 ATOM 1882 C CG1 . ILE A 1 239 ? 32.901 68.770 12.833 1.00 50.42 ? 239 ILE A CG1 1 ATOM 1883 C CG2 . ILE A 1 239 ? 32.026 70.473 11.124 1.00 48.00 ? 239 ILE A CG2 1 ATOM 1884 C CD1 . ILE A 1 239 ? 34.400 68.719 12.430 1.00 50.14 ? 239 ILE A CD1 1 ATOM 1885 N N . ILE A 1 240 ? 30.314 66.449 11.580 1.00 49.85 ? 240 ILE A N 1 ATOM 1886 C CA . ILE A 1 240 ? 30.632 65.040 11.859 1.00 49.95 ? 240 ILE A CA 1 ATOM 1887 C C . ILE A 1 240 ? 32.169 64.818 11.786 1.00 49.67 ? 240 ILE A C 1 ATOM 1888 O O . ILE A 1 240 ? 32.878 65.418 10.992 1.00 49.80 ? 240 ILE A O 1 ATOM 1889 C CB . ILE A 1 240 ? 29.880 64.032 10.991 1.00 49.60 ? 240 ILE A CB 1 ATOM 1890 C CG1 . ILE A 1 240 ? 30.125 64.275 9.504 1.00 49.96 ? 240 ILE A CG1 1 ATOM 1891 C CG2 . ILE A 1 240 ? 28.345 64.077 11.365 1.00 50.91 ? 240 ILE A CG2 1 ATOM 1892 C CD1 . ILE A 1 240 ? 29.599 63.213 8.524 1.00 49.40 ? 240 ILE A CD1 1 ATOM 1893 N N . PHE A 1 241 ? 32.653 63.927 12.625 1.00 49.80 ? 241 PHE A N 1 ATOM 1894 C CA . PHE A 1 241 ? 34.075 63.670 12.729 1.00 50.00 ? 241 PHE A CA 1 ATOM 1895 C C . PHE A 1 241 ? 34.245 62.293 13.364 1.00 49.60 ? 241 PHE A C 1 ATOM 1896 O O . PHE A 1 241 ? 33.397 61.846 14.119 1.00 48.97 ? 241 PHE A O 1 ATOM 1897 C CB . PHE A 1 241 ? 34.741 64.816 13.538 1.00 50.17 ? 241 PHE A CB 1 ATOM 1898 C CG . PHE A 1 241 ? 36.213 64.919 13.370 1.00 50.11 ? 241 PHE A CG 1 ATOM 1899 C CD1 . PHE A 1 241 ? 36.777 65.431 12.187 1.00 50.99 ? 241 PHE A CD1 1 ATOM 1900 C CD2 . PHE A 1 241 ? 37.068 64.502 14.389 1.00 51.44 ? 241 PHE A CD2 1 ATOM 1901 C CE1 . PHE A 1 241 ? 38.154 65.484 12.003 1.00 52.17 ? 241 PHE A CE1 1 ATOM 1902 C CE2 . PHE A 1 241 ? 38.466 64.566 14.221 1.00 52.85 ? 241 PHE A CE2 1 ATOM 1903 C CZ . PHE A 1 241 ? 39.011 65.059 13.030 1.00 52.89 ? 241 PHE A CZ 1 ATOM 1904 N N . PRO A 1 242 ? 35.371 61.631 13.089 1.00 51.19 ? 242 PRO A N 1 ATOM 1905 C CA . PRO A 1 242 ? 35.658 60.363 13.758 1.00 50.74 ? 242 PRO A CA 1 ATOM 1906 C C . PRO A 1 242 ? 35.615 60.499 15.296 1.00 50.06 ? 242 PRO A C 1 ATOM 1907 O O . PRO A 1 242 ? 36.082 61.495 15.871 1.00 49.16 ? 242 PRO A O 1 ATOM 1908 C CB . PRO A 1 242 ? 37.077 60.047 13.297 1.00 51.25 ? 242 PRO A CB 1 ATOM 1909 C CG . PRO A 1 242 ? 37.223 60.797 12.028 1.00 54.00 ? 242 PRO A CG 1 ATOM 1910 C CD . PRO A 1 242 ? 36.423 61.996 12.127 1.00 51.87 ? 242 PRO A CD 1 ATOM 1911 N N . ALA A 1 243 ? 35.111 59.473 15.953 1.00 50.17 ? 243 ALA A N 1 ATOM 1912 C CA . ALA A 1 243 ? 35.109 59.423 17.424 1.00 49.46 ? 243 ALA A CA 1 ATOM 1913 C C . ALA A 1 243 ? 36.481 59.463 18.029 1.00 49.64 ? 243 ALA A C 1 ATOM 1914 O O . ALA A 1 243 ? 37.301 58.576 17.766 1.00 48.26 ? 243 ALA A O 1 ATOM 1915 C CB . ALA A 1 243 ? 34.338 58.174 17.918 1.00 48.91 ? 243 ALA A CB 1 ATOM 1916 N N . THR A 1 244 ? 36.688 60.450 18.913 1.00 49.45 ? 244 THR A N 1 ATOM 1917 C CA . THR A 1 244 ? 37.948 60.671 19.582 1.00 50.90 ? 244 THR A CA 1 ATOM 1918 C C . THR A 1 244 ? 37.907 60.497 21.091 1.00 51.69 ? 244 THR A C 1 ATOM 1919 O O . THR A 1 244 ? 38.952 60.464 21.710 1.00 51.88 ? 244 THR A O 1 ATOM 1920 C CB . THR A 1 244 ? 38.456 62.120 19.359 1.00 49.94 ? 244 THR A CB 1 ATOM 1921 O OG1 . THR A 1 244 ? 37.472 63.034 19.870 1.00 50.07 ? 244 THR A OG1 1 ATOM 1922 C CG2 . THR A 1 244 ? 38.803 62.358 17.850 1.00 50.86 ? 244 THR A CG2 1 ATOM 1923 N N . GLY A 1 245 ? 36.726 60.454 21.665 1.00 54.29 ? 245 GLY A N 1 ATOM 1924 C CA . GLY A 1 245 ? 36.585 60.428 23.118 1.00 54.87 ? 245 GLY A CA 1 ATOM 1925 C C . GLY A 1 245 ? 36.746 61.800 23.771 1.00 56.83 ? 245 GLY A C 1 ATOM 1926 O O . GLY A 1 245 ? 36.710 61.889 25.017 1.00 58.02 ? 245 GLY A O 1 ATOM 1927 N N . ASN A 1 246 ? 36.916 62.868 22.978 1.00 55.41 ? 246 ASN A N 1 ATOM 1928 C CA . ASN A 1 246 ? 37.154 64.200 23.562 1.00 53.57 ? 246 ASN A CA 1 ATOM 1929 C C . ASN A 1 246 ? 35.860 64.912 23.988 1.00 52.53 ? 246 ASN A C 1 ATOM 1930 O O . ASN A 1 246 ? 34.755 64.568 23.541 1.00 51.91 ? 246 ASN A O 1 ATOM 1931 C CB . ASN A 1 246 ? 37.980 65.061 22.618 1.00 52.43 ? 246 ASN A CB 1 ATOM 1932 C CG . ASN A 1 246 ? 39.370 64.520 22.415 1.00 54.28 ? 246 ASN A CG 1 ATOM 1933 O OD1 . ASN A 1 246 ? 39.956 63.939 23.316 1.00 55.10 ? 246 ASN A OD1 1 ATOM 1934 N ND2 . ASN A 1 246 ? 39.912 64.719 21.233 1.00 49.95 ? 246 ASN A ND2 1 ATOM 1935 N N . PRO A 1 247 ? 35.983 65.878 24.910 1.00 52.20 ? 247 PRO A N 1 ATOM 1936 C CA . PRO A 1 247 ? 34.801 66.592 25.429 1.00 52.24 ? 247 PRO A CA 1 ATOM 1937 C C . PRO A 1 247 ? 33.915 67.280 24.390 1.00 50.84 ? 247 PRO A C 1 ATOM 1938 O O . PRO A 1 247 ? 32.699 67.483 24.617 1.00 51.83 ? 247 PRO A O 1 ATOM 1939 C CB . PRO A 1 247 ? 35.419 67.629 26.357 1.00 51.76 ? 247 PRO A CB 1 ATOM 1940 C CG . PRO A 1 247 ? 36.688 67.076 26.753 1.00 52.81 ? 247 PRO A CG 1 ATOM 1941 C CD . PRO A 1 247 ? 37.214 66.329 25.590 1.00 53.56 ? 247 PRO A CD 1 ATOM 1942 N N . ASN A 1 248 ? 34.487 67.654 23.258 1.00 50.10 ? 248 ASN A N 1 ATOM 1943 C CA . ASN A 1 248 ? 33.705 68.323 22.196 1.00 51.08 ? 248 ASN A CA 1 ATOM 1944 C C . ASN A 1 248 ? 32.826 67.350 21.390 1.00 50.63 ? 248 ASN A C 1 ATOM 1945 O O . ASN A 1 248 ? 32.145 67.771 20.456 1.00 51.29 ? 248 ASN A O 1 ATOM 1946 C CB . ASN A 1 248 ? 34.641 69.103 21.246 1.00 51.88 ? 248 ASN A CB 1 ATOM 1947 C CG . ASN A 1 248 ? 35.439 68.186 20.335 1.00 52.38 ? 248 ASN A CG 1 ATOM 1948 O OD1 . ASN A 1 248 ? 35.987 67.204 20.797 1.00 53.91 ? 248 ASN A OD1 1 ATOM 1949 N ND2 . ASN A 1 248 ? 35.523 68.510 19.020 1.00 52.26 ? 248 ASN A ND2 1 ATOM 1950 N N . GLN A 1 249 ? 32.871 66.058 21.736 1.00 50.03 ? 249 GLN A N 1 ATOM 1951 C CA . GLN A 1 249 ? 32.019 65.009 21.143 1.00 50.64 ? 249 GLN A CA 1 ATOM 1952 C C . GLN A 1 249 ? 31.065 64.340 22.154 1.00 50.67 ? 249 GLN A C 1 ATOM 1953 O O . GLN A 1 249 ? 30.387 63.363 21.820 1.00 50.52 ? 249 GLN A O 1 ATOM 1954 C CB . GLN A 1 249 ? 32.887 63.932 20.496 1.00 50.74 ? 249 GLN A CB 1 ATOM 1955 C CG . GLN A 1 249 ? 33.677 64.445 19.332 1.00 51.78 ? 249 GLN A CG 1 ATOM 1956 C CD . GLN A 1 249 ? 34.411 63.335 18.606 1.00 50.87 ? 249 GLN A CD 1 ATOM 1957 O OE1 . GLN A 1 249 ? 34.501 62.213 19.119 1.00 51.92 ? 249 GLN A OE1 1 ATOM 1958 N NE2 . GLN A 1 249 ? 34.950 63.635 17.408 1.00 49.18 ? 249 GLN A NE2 1 ATOM 1959 N N . GLN A 1 250 ? 30.963 64.916 23.344 1.00 51.28 ? 250 GLN A N 1 ATOM 1960 C CA . GLN A 1 250 ? 30.137 64.389 24.419 1.00 51.58 ? 250 GLN A CA 1 ATOM 1961 C C . GLN A 1 250 ? 28.835 65.159 24.518 1.00 52.08 ? 250 GLN A C 1 ATOM 1962 O O . GLN A 1 250 ? 28.852 66.387 24.530 1.00 52.63 ? 250 GLN A O 1 ATOM 1963 C CB . GLN A 1 250 ? 30.882 64.494 25.750 1.00 52.56 ? 250 GLN A CB 1 ATOM 1964 C CG . GLN A 1 250 ? 31.920 63.380 25.935 1.00 57.92 ? 250 GLN A CG 1 ATOM 1965 C CD . GLN A 1 250 ? 31.233 62.003 26.109 1.00 65.11 ? 250 GLN A CD 1 ATOM 1966 O OE1 . GLN A 1 250 ? 30.401 61.805 27.028 1.00 63.97 ? 250 GLN A OE1 1 ATOM 1967 N NE2 . GLN A 1 250 ? 31.565 61.056 25.214 1.00 65.52 ? 250 GLN A NE2 1 ATOM 1968 N N . TRP A 1 251 ? 27.709 64.431 24.574 1.00 52.83 ? 251 TRP A N 1 ATOM 1969 C CA . TRP A 1 251 ? 26.369 65.025 24.609 1.00 52.83 ? 251 TRP A CA 1 ATOM 1970 C C . TRP A 1 251 ? 25.505 64.269 25.595 1.00 54.80 ? 251 TRP A C 1 ATOM 1971 O O . TRP A 1 251 ? 25.686 63.049 25.800 1.00 54.14 ? 251 TRP A O 1 ATOM 1972 C CB . TRP A 1 251 ? 25.694 64.969 23.245 1.00 52.77 ? 251 TRP A CB 1 ATOM 1973 C CG . TRP A 1 251 ? 26.539 65.463 22.129 1.00 51.92 ? 251 TRP A CG 1 ATOM 1974 C CD1 . TRP A 1 251 ? 27.487 64.729 21.409 1.00 53.20 ? 251 TRP A CD1 1 ATOM 1975 C CD2 . TRP A 1 251 ? 26.593 66.787 21.621 1.00 51.29 ? 251 TRP A CD2 1 ATOM 1976 N NE1 . TRP A 1 251 ? 28.095 65.539 20.481 1.00 52.82 ? 251 TRP A NE1 1 ATOM 1977 C CE2 . TRP A 1 251 ? 27.574 66.801 20.573 1.00 52.78 ? 251 TRP A CE2 1 ATOM 1978 C CE3 . TRP A 1 251 ? 25.900 67.976 21.925 1.00 53.82 ? 251 TRP A CE3 1 ATOM 1979 C CZ2 . TRP A 1 251 ? 27.855 67.948 19.819 1.00 52.66 ? 251 TRP A CZ2 1 ATOM 1980 C CZ3 . TRP A 1 251 ? 26.192 69.137 21.179 1.00 54.80 ? 251 TRP A CZ3 1 ATOM 1981 C CH2 . TRP A 1 251 ? 27.165 69.116 20.143 1.00 54.03 ? 251 TRP A CH2 1 ATOM 1982 N N . VAL A 1 252 ? 24.556 64.988 26.192 1.00 54.94 ? 252 VAL A N 1 ATOM 1983 C CA . VAL A 1 252 ? 23.552 64.370 27.068 1.00 55.78 ? 252 VAL A CA 1 ATOM 1984 C C . VAL A 1 252 ? 22.206 65.003 26.744 1.00 56.07 ? 252 VAL A C 1 ATOM 1985 O O . VAL A 1 252 ? 22.131 66.215 26.539 1.00 56.17 ? 252 VAL A O 1 ATOM 1986 C CB . VAL A 1 252 ? 23.864 64.545 28.589 1.00 57.22 ? 252 VAL A CB 1 ATOM 1987 C CG1 . VAL A 1 252 ? 25.338 64.102 29.007 1.00 60.10 ? 252 VAL A CG1 1 ATOM 1988 C CG2 . VAL A 1 252 ? 23.666 65.934 29.027 1.00 59.49 ? 252 VAL A CG2 1 ATOM 1989 N N . THR A 1 253 ? 21.157 64.198 26.690 1.00 55.72 ? 253 THR A N 1 ATOM 1990 C CA . THR A 1 253 ? 19.811 64.708 26.605 1.00 56.21 ? 253 THR A CA 1 ATOM 1991 C C . THR A 1 253 ? 19.291 65.073 27.969 1.00 54.59 ? 253 THR A C 1 ATOM 1992 O O . THR A 1 253 ? 19.543 64.400 28.950 1.00 53.28 ? 253 THR A O 1 ATOM 1993 C CB . THR A 1 253 ? 18.848 63.674 25.931 1.00 58.97 ? 253 THR A CB 1 ATOM 1994 O OG1 . THR A 1 253 ? 18.871 62.442 26.663 1.00 57.44 ? 253 THR A OG1 1 ATOM 1995 C CG2 . THR A 1 253 ? 19.312 63.416 24.504 1.00 61.37 ? 253 THR A CG2 1 ATOM 1996 N N . GLN A 1 254 ? 18.558 66.180 28.040 1.00 55.00 ? 254 GLN A N 1 ATOM 1997 C CA . GLN A 1 254 ? 17.871 66.571 29.239 1.00 55.43 ? 254 GLN A CA 1 ATOM 1998 C C . GLN A 1 254 ? 16.414 66.805 28.927 1.00 54.28 ? 254 GLN A C 1 ATOM 1999 O O . GLN A 1 254 ? 16.076 67.753 28.240 1.00 51.39 ? 254 GLN A O 1 ATOM 2000 C CB . GLN A 1 254 ? 18.489 67.860 29.759 1.00 57.51 ? 254 GLN A CB 1 ATOM 2001 C CG . GLN A 1 254 ? 19.898 67.651 30.261 1.00 62.95 ? 254 GLN A CG 1 ATOM 2002 C CD . GLN A 1 254 ? 19.894 66.767 31.495 1.00 70.62 ? 254 GLN A CD 1 ATOM 2003 O OE1 . GLN A 1 254 ? 20.794 65.920 31.696 1.00 77.40 ? 254 GLN A OE1 1 ATOM 2004 N NE2 . GLN A 1 254 ? 18.855 66.920 32.315 1.00 75.97 ? 254 GLN A NE2 1 ATOM 2005 N N . VAL A 1 255 ? 15.561 65.933 29.432 1.00 53.64 ? 255 VAL A N 1 ATOM 2006 C CA . VAL A 1 255 ? 14.141 65.992 29.133 1.00 55.57 ? 255 VAL A CA 1 ATOM 2007 C C . VAL A 1 255 ? 13.524 67.301 29.638 1.00 55.60 ? 255 VAL A C 1 ATOM 2008 O O . VAL A 1 255 ? 13.862 67.771 30.739 1.00 54.96 ? 255 VAL A O 1 ATOM 2009 C CB . VAL A 1 255 ? 13.416 64.757 29.726 1.00 56.23 ? 255 VAL A CB 1 ATOM 2010 C CG1 . VAL A 1 255 ? 11.892 64.897 29.565 1.00 59.30 ? 255 VAL A CG1 1 ATOM 2011 C CG2 . VAL A 1 255 ? 13.989 63.478 29.027 1.00 56.97 ? 255 VAL A CG2 1 ATOM 2012 N N . LEU A 1 256 ? 12.659 67.889 28.817 1.00 55.71 ? 256 LEU A N 1 ATOM 2013 C CA . LEU A 1 256 ? 12.038 69.185 29.111 1.00 57.66 ? 256 LEU A CA 1 ATOM 2014 C C . LEU A 1 256 ? 10.633 68.979 29.680 1.00 59.08 ? 256 LEU A C 1 ATOM 2015 O O . LEU A 1 256 ? 10.005 67.965 29.402 1.00 58.21 ? 256 LEU A O 1 ATOM 2016 C CB . LEU A 1 256 ? 11.975 70.058 27.861 1.00 57.31 ? 256 LEU A CB 1 ATOM 2017 C CG . LEU A 1 256 ? 13.304 70.656 27.399 1.00 57.12 ? 256 LEU A CG 1 ATOM 2018 C CD1 . LEU A 1 256 ? 13.263 70.941 25.933 1.00 53.96 ? 256 LEU A CD1 1 ATOM 2019 C CD2 . LEU A 1 256 ? 13.671 71.916 28.217 1.00 60.33 ? 256 LEU A CD2 1 ATOM 2020 N N . PRO A 1 257 ? 10.165 69.936 30.523 1.00 60.72 ? 257 PRO A N 1 ATOM 2021 C CA . PRO A 1 257 ? 8.875 69.837 31.118 1.00 62.42 ? 257 PRO A CA 1 ATOM 2022 C C . PRO A 1 257 ? 7.796 70.240 30.105 1.00 65.18 ? 257 PRO A C 1 ATOM 2023 O O . PRO A 1 257 ? 7.993 71.099 29.208 1.00 65.49 ? 257 PRO A O 1 ATOM 2024 C CB . PRO A 1 257 ? 8.947 70.848 32.265 1.00 63.13 ? 257 PRO A CB 1 ATOM 2025 C CG . PRO A 1 257 ? 9.921 71.862 31.841 1.00 61.96 ? 257 PRO A CG 1 ATOM 2026 C CD . PRO A 1 257 ? 10.873 71.166 30.938 1.00 61.08 ? 257 PRO A CD 1 HETATM 2027 C C1 . NAG B 2 . ? 15.650 47.909 -3.349 1.00 42.33 ? 258 NAG A C1 1 HETATM 2028 C C2 . NAG B 2 . ? 16.335 48.565 -4.569 1.00 38.59 ? 258 NAG A C2 1 HETATM 2029 C C3 . NAG B 2 . ? 15.885 50.002 -4.654 1.00 37.48 ? 258 NAG A C3 1 HETATM 2030 C C4 . NAG B 2 . ? 14.308 50.051 -4.787 1.00 34.94 ? 258 NAG A C4 1 HETATM 2031 C C5 . NAG B 2 . ? 13.786 49.368 -3.556 1.00 34.78 ? 258 NAG A C5 1 HETATM 2032 C C6 . NAG B 2 . ? 12.210 49.479 -3.496 1.00 36.45 ? 258 NAG A C6 1 HETATM 2033 C C7 . NAG B 2 . ? 18.528 47.845 -5.574 1.00 43.77 ? 258 NAG A C7 1 HETATM 2034 C C8 . NAG B 2 . ? 20.074 47.728 -5.391 1.00 42.48 ? 258 NAG A C8 1 HETATM 2035 N N2 . NAG B 2 . ? 17.833 48.338 -4.552 1.00 40.89 ? 258 NAG A N2 1 HETATM 2036 O O3 . NAG B 2 . ? 16.352 50.457 -5.881 1.00 38.60 ? 258 NAG A O3 1 HETATM 2037 O O4 . NAG B 2 . ? 14.070 51.432 -4.696 1.00 37.04 ? 258 NAG A O4 1 HETATM 2038 O O5 . NAG B 2 . ? 14.228 48.007 -3.541 1.00 38.81 ? 258 NAG A O5 1 HETATM 2039 O O6 . NAG B 2 . ? 11.675 48.945 -4.696 1.00 36.69 ? 258 NAG A O6 1 HETATM 2040 O O7 . NAG B 2 . ? 18.015 47.466 -6.632 1.00 46.49 ? 258 NAG A O7 1 HETATM 2041 C C1 . NAG C 2 . ? 13.232 51.898 -5.730 1.00 40.57 ? 259 NAG A C1 1 HETATM 2042 C C2 . NAG C 2 . ? 12.664 53.268 -5.358 1.00 42.98 ? 259 NAG A C2 1 HETATM 2043 C C3 . NAG C 2 . ? 11.742 53.851 -6.427 1.00 41.14 ? 259 NAG A C3 1 HETATM 2044 C C4 . NAG C 2 . ? 12.360 53.678 -7.803 1.00 44.10 ? 259 NAG A C4 1 HETATM 2045 C C5 . NAG C 2 . ? 12.903 52.252 -7.997 1.00 41.86 ? 259 NAG A C5 1 HETATM 2046 C C6 . NAG C 2 . ? 13.560 52.029 -9.348 1.00 40.66 ? 259 NAG A C6 1 HETATM 2047 C C7 . NAG C 2 . ? 12.471 53.566 -2.937 1.00 47.21 ? 259 NAG A C7 1 HETATM 2048 C C8 . NAG C 2 . ? 11.730 53.234 -1.673 1.00 43.71 ? 259 NAG A C8 1 HETATM 2049 N N2 . NAG C 2 . ? 11.946 53.199 -4.108 1.00 41.88 ? 259 NAG A N2 1 HETATM 2050 O O3 . NAG C 2 . ? 11.647 55.221 -6.096 1.00 38.92 ? 259 NAG A O3 1 HETATM 2051 O O4 . NAG C 2 . ? 11.387 53.849 -8.820 1.00 46.15 ? 259 NAG A O4 1 HETATM 2052 O O5 . NAG C 2 . ? 13.827 51.866 -6.986 1.00 42.86 ? 259 NAG A O5 1 HETATM 2053 O O6 . NAG C 2 . ? 13.762 50.644 -9.531 1.00 43.69 ? 259 NAG A O6 1 HETATM 2054 O O7 . NAG C 2 . ? 13.567 54.153 -2.862 1.00 47.90 ? 259 NAG A O7 1 HETATM 2055 C C1 . BMA D 3 . ? 11.578 54.898 -9.741 1.00 47.15 ? 260 BMA A C1 1 HETATM 2056 C C2 . BMA D 3 . ? 10.388 54.877 -10.681 1.00 52.21 ? 260 BMA A C2 1 HETATM 2057 C C3 . BMA D 3 . ? 10.568 56.084 -11.601 1.00 59.24 ? 260 BMA A C3 1 HETATM 2058 C C4 . BMA D 3 . ? 10.561 57.356 -10.826 1.00 58.43 ? 260 BMA A C4 1 HETATM 2059 C C5 . BMA D 3 . ? 11.768 57.249 -9.909 1.00 56.01 ? 260 BMA A C5 1 HETATM 2060 C C6 . BMA D 3 . ? 11.838 58.515 -9.098 1.00 57.94 ? 260 BMA A C6 1 HETATM 2061 O O2 . BMA D 3 . ? 9.158 54.949 -9.925 1.00 48.15 ? 260 BMA A O2 1 HETATM 2062 O O3 . BMA D 3 . ? 9.482 56.222 -12.440 1.00 68.15 ? 260 BMA A O3 1 HETATM 2063 O O4 . BMA D 3 . ? 10.674 58.407 -11.756 1.00 60.18 ? 260 BMA A O4 1 HETATM 2064 O O5 . BMA D 3 . ? 11.642 56.105 -9.055 1.00 48.61 ? 260 BMA A O5 1 HETATM 2065 O O6 . BMA D 3 . ? 10.656 58.629 -8.356 1.00 63.39 ? 260 BMA A O6 1 HETATM 2066 C C1 . MAN E 4 . ? 9.853 56.466 -13.808 1.00 79.30 ? 261 MAN A C1 1 HETATM 2067 C C2 . MAN E 4 . ? 8.708 57.307 -14.407 1.00 83.43 ? 261 MAN A C2 1 HETATM 2068 C C3 . MAN E 4 . ? 7.396 56.550 -14.136 1.00 83.34 ? 261 MAN A C3 1 HETATM 2069 C C4 . MAN E 4 . ? 7.516 55.188 -14.841 1.00 84.08 ? 261 MAN A C4 1 HETATM 2070 C C5 . MAN E 4 . ? 8.787 54.436 -14.381 1.00 84.86 ? 261 MAN A C5 1 HETATM 2071 C C6 . MAN E 4 . ? 9.014 53.148 -15.166 1.00 85.83 ? 261 MAN A C6 1 HETATM 2072 O O2 . MAN E 4 . ? 8.866 57.554 -15.800 1.00 85.86 ? 261 MAN A O2 1 HETATM 2073 O O3 . MAN E 4 . ? 6.290 57.353 -14.514 1.00 83.71 ? 261 MAN A O3 1 HETATM 2074 O O4 . MAN E 4 . ? 6.390 54.356 -14.640 1.00 84.73 ? 261 MAN A O4 1 HETATM 2075 O O5 . MAN E 4 . ? 9.970 55.228 -14.477 1.00 81.58 ? 261 MAN A O5 1 HETATM 2076 O O6 . MAN E 4 . ? 9.367 52.140 -14.246 1.00 86.94 ? 261 MAN A O6 1 HETATM 2077 C C1 . FUC F 5 . ? 17.460 51.435 -5.756 1.00 46.37 ? 262 FUC A C1 1 HETATM 2078 C C2 . FUC F 5 . ? 18.282 51.699 -7.021 1.00 45.22 ? 262 FUC A C2 1 HETATM 2079 C C3 . FUC F 5 . ? 17.369 52.664 -7.795 1.00 48.48 ? 262 FUC A C3 1 HETATM 2080 C C4 . FUC F 5 . ? 17.164 53.926 -7.016 1.00 48.41 ? 262 FUC A C4 1 HETATM 2081 C C5 . FUC F 5 . ? 16.609 53.607 -5.605 1.00 44.46 ? 262 FUC A C5 1 HETATM 2082 C C6 . FUC F 5 . ? 16.525 54.805 -4.701 1.00 45.39 ? 262 FUC A C6 1 HETATM 2083 O O2 . FUC F 5 . ? 18.356 50.555 -7.826 1.00 43.85 ? 262 FUC A O2 1 HETATM 2084 O O3 . FUC F 5 . ? 17.823 52.907 -9.084 1.00 53.04 ? 262 FUC A O3 1 HETATM 2085 O O4 . FUC F 5 . ? 18.423 54.570 -6.963 1.00 50.21 ? 262 FUC A O4 1 HETATM 2086 O O5 . FUC F 5 . ? 17.400 52.592 -4.959 1.00 47.89 ? 262 FUC A O5 1 HETATM 2087 C C1 . MAN G 4 . ? 10.794 59.666 -7.368 1.00 66.35 ? 263 MAN A C1 1 HETATM 2088 C C2 . MAN G 4 . ? 9.656 59.607 -6.354 1.00 67.37 ? 263 MAN A C2 1 HETATM 2089 C C3 . MAN G 4 . ? 8.314 59.928 -7.011 1.00 68.03 ? 263 MAN A C3 1 HETATM 2090 C C4 . MAN G 4 . ? 8.376 61.213 -7.821 1.00 71.60 ? 263 MAN A C4 1 HETATM 2091 C C5 . MAN G 4 . ? 9.644 61.277 -8.698 1.00 73.91 ? 263 MAN A C5 1 HETATM 2092 C C6 . MAN G 4 . ? 9.893 62.695 -9.234 1.00 75.98 ? 263 MAN A C6 1 HETATM 2093 O O2 . MAN G 4 . ? 9.877 60.510 -5.287 1.00 66.66 ? 263 MAN A O2 1 HETATM 2094 O O3 . MAN G 4 . ? 7.261 59.966 -6.057 1.00 64.30 ? 263 MAN A O3 1 HETATM 2095 O O4 . MAN G 4 . ? 7.243 61.190 -8.674 1.00 73.30 ? 263 MAN A O4 1 HETATM 2096 O O5 . MAN G 4 . ? 10.792 60.954 -7.948 1.00 69.62 ? 263 MAN A O5 1 HETATM 2097 O O6 . MAN G 4 . ? 10.885 62.658 -10.252 1.00 78.39 ? 263 MAN A O6 1 HETATM 2098 C C1B . XYP H 6 . ? 7.207 52.247 -11.337 1.00 45.48 ? 264 XYP A C1B 1 HETATM 2099 C C2B . XYP H 6 . ? 6.162 52.002 -10.202 1.00 38.95 ? 264 XYP A C2B 1 HETATM 2100 C C3B . XYP H 6 . ? 6.857 52.157 -8.854 1.00 43.18 ? 264 XYP A C3B 1 HETATM 2101 C C4B . XYP H 6 . ? 7.632 53.503 -8.804 1.00 44.85 ? 264 XYP A C4B 1 HETATM 2102 C C5B . XYP H 6 . ? 8.529 53.650 -10.009 1.00 43.56 ? 264 XYP A C5B 1 HETATM 2103 O O2B . XYP H 6 . ? 5.660 50.674 -10.348 1.00 39.80 ? 264 XYP A O2B 1 HETATM 2104 O O3B . XYP H 6 . ? 5.987 52.029 -7.751 1.00 43.37 ? 264 XYP A O3B 1 HETATM 2105 O O4B . XYP H 6 . ? 8.303 53.693 -7.554 1.00 42.89 ? 264 XYP A O4B 1 HETATM 2106 O O5B . XYP H 6 . ? 7.838 53.523 -11.183 1.00 46.18 ? 264 XYP A O5B 1 HETATM 2107 C C1 . NAG I 2 . ? -3.217 29.195 10.929 1.00 63.21 ? 265 NAG A C1 1 HETATM 2108 C C2 . NAG I 2 . ? -4.419 29.380 11.857 1.00 65.10 ? 265 NAG A C2 1 HETATM 2109 C C3 . NAG I 2 . ? -4.799 28.104 12.625 1.00 72.69 ? 265 NAG A C3 1 HETATM 2110 C C4 . NAG I 2 . ? -5.021 27.003 11.618 1.00 72.36 ? 265 NAG A C4 1 HETATM 2111 C C5 . NAG I 2 . ? -3.751 26.913 10.758 1.00 71.04 ? 265 NAG A C5 1 HETATM 2112 C C6 . NAG I 2 . ? -3.802 25.737 9.790 1.00 69.97 ? 265 NAG A C6 1 HETATM 2113 C C7 . NAG I 2 . ? -4.808 31.580 12.826 1.00 58.01 ? 265 NAG A C7 1 HETATM 2114 C C8 . NAG I 2 . ? -4.468 32.512 13.931 1.00 58.42 ? 265 NAG A C8 1 HETATM 2115 N N2 . NAG I 2 . ? -4.097 30.461 12.761 1.00 61.94 ? 265 NAG A N2 1 HETATM 2116 O O3 . NAG I 2 . ? -5.992 28.197 13.389 1.00 79.02 ? 265 NAG A O3 1 HETATM 2117 O O4 . NAG I 2 . ? -5.308 25.819 12.367 1.00 76.55 ? 265 NAG A O4 1 HETATM 2118 O O5 . NAG I 2 . ? -3.496 28.135 10.066 1.00 63.64 ? 265 NAG A O5 1 HETATM 2119 O O6 . NAG I 2 . ? -4.168 26.102 8.475 1.00 74.08 ? 265 NAG A O6 1 HETATM 2120 O O7 . NAG I 2 . ? -5.669 31.879 12.016 1.00 59.00 ? 265 NAG A O7 1 HETATM 2121 C C1 . FUC J 5 . ? -5.794 28.866 14.661 1.00 86.93 ? 266 FUC A C1 1 HETATM 2122 C C2 . FUC J 5 . ? -7.150 29.297 15.181 1.00 89.98 ? 266 FUC A C2 1 HETATM 2123 C C3 . FUC J 5 . ? -7.982 28.029 15.432 1.00 93.03 ? 266 FUC A C3 1 HETATM 2124 C C4 . FUC J 5 . ? -7.279 27.172 16.493 1.00 93.14 ? 266 FUC A C4 1 HETATM 2125 C C5 . FUC J 5 . ? -5.781 26.966 16.179 1.00 93.54 ? 266 FUC A C5 1 HETATM 2126 C C6 . FUC J 5 . ? -5.010 26.567 17.440 1.00 94.51 ? 266 FUC A C6 1 HETATM 2127 O O2 . FUC J 5 . ? -7.728 30.166 14.227 1.00 90.44 ? 266 FUC A O2 1 HETATM 2128 O O3 . FUC J 5 . ? -9.304 28.356 15.829 1.00 94.23 ? 266 FUC A O3 1 HETATM 2129 O O4 . FUC J 5 . ? -7.433 27.771 17.772 1.00 92.73 ? 266 FUC A O4 1 HETATM 2130 O O5 . FUC J 5 . ? -5.125 28.119 15.659 1.00 90.19 ? 266 FUC A O5 1 HETATM 2131 C C1 . NAG K 2 . ? 7.265 70.931 21.509 1.00 55.93 ? 267 NAG A C1 1 HETATM 2132 C C2 . NAG K 2 . ? 6.747 71.870 22.586 1.00 55.85 ? 267 NAG A C2 1 HETATM 2133 C C3 . NAG K 2 . ? 5.301 71.570 23.058 1.00 63.28 ? 267 NAG A C3 1 HETATM 2134 C C4 . NAG K 2 . ? 4.327 71.234 21.908 1.00 64.68 ? 267 NAG A C4 1 HETATM 2135 C C5 . NAG K 2 . ? 5.034 70.366 20.868 1.00 62.12 ? 267 NAG A C5 1 HETATM 2136 C C6 . NAG K 2 . ? 4.179 70.045 19.631 1.00 60.20 ? 267 NAG A C6 1 HETATM 2137 C C7 . NAG K 2 . ? 7.896 71.194 24.641 1.00 48.26 ? 267 NAG A C7 1 HETATM 2138 C C8 . NAG K 2 . ? 8.848 71.621 25.725 1.00 46.29 ? 267 NAG A C8 1 HETATM 2139 N N2 . NAG K 2 . ? 7.657 72.099 23.710 1.00 48.47 ? 267 NAG A N2 1 HETATM 2140 O O3 . NAG K 2 . ? 4.958 72.714 23.826 1.00 63.58 ? 267 NAG A O3 1 HETATM 2141 O O4 . NAG K 2 . ? 3.263 70.438 22.403 1.00 73.60 ? 267 NAG A O4 1 HETATM 2142 O O5 . NAG K 2 . ? 6.272 70.985 20.504 1.00 58.83 ? 267 NAG A O5 1 HETATM 2143 O O6 . NAG K 2 . ? 3.957 71.274 18.991 1.00 56.57 ? 267 NAG A O6 1 HETATM 2144 O O7 . NAG K 2 . ? 7.437 70.039 24.572 1.00 47.48 ? 267 NAG A O7 1 HETATM 2145 C C1 . NAG L 2 . ? 1.940 70.957 22.072 1.00 79.72 ? 268 NAG A C1 1 HETATM 2146 C C2 . NAG L 2 . ? 0.894 69.832 22.100 1.00 80.31 ? 268 NAG A C2 1 HETATM 2147 C C3 . NAG L 2 . ? -0.536 70.353 22.193 1.00 84.26 ? 268 NAG A C3 1 HETATM 2148 C C4 . NAG L 2 . ? -0.664 71.439 23.244 1.00 85.33 ? 268 NAG A C4 1 HETATM 2149 C C5 . NAG L 2 . ? 0.349 72.550 22.964 1.00 85.41 ? 268 NAG A C5 1 HETATM 2150 C C6 . NAG L 2 . ? 0.310 73.569 24.103 1.00 86.72 ? 268 NAG A C6 1 HETATM 2151 C C7 . NAG L 2 . ? 1.407 67.787 20.759 1.00 81.85 ? 268 NAG A C7 1 HETATM 2152 C C8 . NAG L 2 . ? 1.644 67.268 19.361 1.00 81.94 ? 268 NAG A C8 1 HETATM 2153 N N2 . NAG L 2 . ? 0.936 69.052 20.869 1.00 80.41 ? 268 NAG A N2 1 HETATM 2154 O O3 . NAG L 2 . ? -1.438 69.291 22.469 1.00 84.33 ? 268 NAG A O3 1 HETATM 2155 O O4 . NAG L 2 . ? -1.968 71.969 23.194 1.00 86.50 ? 268 NAG A O4 1 HETATM 2156 O O5 . NAG L 2 . ? 1.672 72.044 22.934 1.00 81.38 ? 268 NAG A O5 1 HETATM 2157 O O6 . NAG L 2 . ? 0.673 72.923 25.321 1.00 85.91 ? 268 NAG A O6 1 HETATM 2158 O O7 . NAG L 2 . ? 1.671 67.041 21.703 1.00 81.66 ? 268 NAG A O7 1 HETATM 2159 C C1 . NAG M 2 . ? 37.711 80.350 17.908 1.00 85.59 ? 269 NAG A C1 1 HETATM 2160 C C2 . NAG M 2 . ? 39.082 80.778 17.351 1.00 92.30 ? 269 NAG A C2 1 HETATM 2161 C C3 . NAG M 2 . ? 39.225 82.272 17.560 1.00 96.06 ? 269 NAG A C3 1 HETATM 2162 C C4 . NAG M 2 . ? 38.181 82.905 16.648 1.00 96.33 ? 269 NAG A C4 1 HETATM 2163 C C5 . NAG M 2 . ? 36.769 82.377 16.969 1.00 93.27 ? 269 NAG A C5 1 HETATM 2164 C C6 . NAG M 2 . ? 35.734 82.844 15.938 1.00 91.81 ? 269 NAG A C6 1 HETATM 2165 C C7 . NAG M 2 . ? 40.523 79.734 19.079 1.00 92.55 ? 269 NAG A C7 1 HETATM 2166 C C8 . NAG M 2 . ? 41.659 78.772 19.277 1.00 93.28 ? 269 NAG A C8 1 HETATM 2167 N N2 . NAG M 2 . ? 40.259 80.041 17.816 1.00 92.14 ? 269 NAG A N2 1 HETATM 2168 O O3 . NAG M 2 . ? 40.512 82.707 17.168 1.00 100.86 ? 269 NAG A O3 1 HETATM 2169 O O4 . NAG M 2 . ? 38.225 84.315 16.753 1.00 101.03 ? 269 NAG A O4 1 HETATM 2170 O O5 . NAG M 2 . ? 36.734 80.955 17.071 1.00 87.78 ? 269 NAG A O5 1 HETATM 2171 O O6 . NAG M 2 . ? 36.153 82.514 14.627 1.00 91.35 ? 269 NAG A O6 1 HETATM 2172 O O7 . NAG M 2 . ? 39.893 80.182 20.037 1.00 93.92 ? 269 NAG A O7 1 HETATM 2173 C C1 . NAG N 2 . ? 38.534 84.908 15.475 1.00 105.25 ? 270 NAG A C1 1 HETATM 2174 C C2 . NAG N 2 . ? 38.420 86.428 15.595 1.00 107.13 ? 270 NAG A C2 1 HETATM 2175 C C3 . NAG N 2 . ? 38.975 87.167 14.361 1.00 108.61 ? 270 NAG A C3 1 HETATM 2176 C C4 . NAG N 2 . ? 40.221 86.513 13.755 1.00 108.50 ? 270 NAG A C4 1 HETATM 2177 C C5 . NAG N 2 . ? 40.134 84.990 13.735 1.00 108.09 ? 270 NAG A C5 1 HETATM 2178 C C6 . NAG N 2 . ? 41.445 84.343 13.282 1.00 107.89 ? 270 NAG A C6 1 HETATM 2179 C C7 . NAG N 2 . ? 35.933 86.682 15.228 1.00 107.91 ? 270 NAG A C7 1 HETATM 2180 C C8 . NAG N 2 . ? 34.639 86.975 15.939 1.00 107.28 ? 270 NAG A C8 1 HETATM 2181 N N2 . NAG N 2 . ? 37.056 86.849 15.954 1.00 107.76 ? 270 NAG A N2 1 HETATM 2182 O O3 . NAG N 2 . ? 39.298 88.508 14.695 1.00 108.72 ? 270 NAG A O3 1 HETATM 2183 O O4 . NAG N 2 . ? 40.391 87.003 12.443 1.00 109.22 ? 270 NAG A O4 1 HETATM 2184 O O5 . NAG N 2 . ? 39.836 84.563 15.048 1.00 107.04 ? 270 NAG A O5 1 HETATM 2185 O O6 . NAG N 2 . ? 41.239 83.595 12.101 1.00 108.03 ? 270 NAG A O6 1 HETATM 2186 O O7 . NAG N 2 . ? 35.906 86.319 14.046 1.00 107.61 ? 270 NAG A O7 1 HETATM 2187 C C1 . FUC O 5 . ? 41.538 82.823 18.195 1.00 106.03 ? 271 FUC A C1 1 HETATM 2188 C C2 . FUC O 5 . ? 42.385 84.051 17.858 1.00 107.55 ? 271 FUC A C2 1 HETATM 2189 C C3 . FUC O 5 . ? 41.448 85.263 17.963 1.00 109.07 ? 271 FUC A C3 1 HETATM 2190 C C4 . FUC O 5 . ? 40.991 85.418 19.420 1.00 109.67 ? 271 FUC A C4 1 HETATM 2191 C C5 . FUC O 5 . ? 40.446 84.103 20.016 1.00 109.30 ? 271 FUC A C5 1 HETATM 2192 C C6 . FUC O 5 . ? 40.565 84.080 21.541 1.00 109.25 ? 271 FUC A C6 1 HETATM 2193 O O2 . FUC O 5 . ? 42.973 83.923 16.574 1.00 107.45 ? 271 FUC A O2 1 HETATM 2194 O O3 . FUC O 5 . ? 42.018 86.446 17.437 1.00 108.39 ? 271 FUC A O3 1 HETATM 2195 O O4 . FUC O 5 . ? 42.076 85.885 20.199 1.00 110.77 ? 271 FUC A O4 1 HETATM 2196 O O5 . FUC O 5 . ? 41.103 82.915 19.553 1.00 108.06 ? 271 FUC A O5 1 HETATM 2197 S S . SO4 P 7 . ? -8.862 51.082 5.151 1.00 42.76 ? 901 SO4 A S 1 HETATM 2198 O O1 . SO4 P 7 . ? -9.339 52.044 4.201 1.00 37.90 ? 901 SO4 A O1 1 HETATM 2199 O O2 . SO4 P 7 . ? -9.363 51.489 6.468 1.00 44.10 ? 901 SO4 A O2 1 HETATM 2200 O O3 . SO4 P 7 . ? -9.138 49.683 4.826 1.00 37.23 ? 901 SO4 A O3 1 HETATM 2201 O O4 . SO4 P 7 . ? -7.398 51.349 5.218 1.00 48.72 ? 901 SO4 A O4 1 HETATM 2202 S S . SO4 Q 7 . ? -1.520 44.516 25.273 1.00 65.06 ? 902 SO4 A S 1 HETATM 2203 O O1 . SO4 Q 7 . ? -2.614 44.855 26.177 1.00 68.46 ? 902 SO4 A O1 1 HETATM 2204 O O2 . SO4 Q 7 . ? -0.229 44.980 25.849 1.00 58.90 ? 902 SO4 A O2 1 HETATM 2205 O O3 . SO4 Q 7 . ? -1.525 43.057 25.144 1.00 61.15 ? 902 SO4 A O3 1 HETATM 2206 O O4 . SO4 Q 7 . ? -1.807 45.222 24.027 1.00 59.73 ? 902 SO4 A O4 1 HETATM 2207 S S . SO4 R 7 . ? -7.173 33.952 6.877 1.00 76.74 ? 903 SO4 A S 1 HETATM 2208 O O1 . SO4 R 7 . ? -7.672 32.627 6.417 1.00 73.50 ? 903 SO4 A O1 1 HETATM 2209 O O2 . SO4 R 7 . ? -8.357 34.869 6.896 1.00 71.04 ? 903 SO4 A O2 1 HETATM 2210 O O3 . SO4 R 7 . ? -6.722 33.741 8.294 1.00 75.90 ? 903 SO4 A O3 1 HETATM 2211 O O4 . SO4 R 7 . ? -6.066 34.425 6.005 1.00 53.25 ? 903 SO4 A O4 1 HETATM 2212 S S . SO4 S 7 . ? -1.125 29.284 14.663 1.00 92.10 ? 904 SO4 A S 1 HETATM 2213 O O1 . SO4 S 7 . ? -1.588 28.086 13.931 1.00 92.02 ? 904 SO4 A O1 1 HETATM 2214 O O2 . SO4 S 7 . ? -2.217 30.255 14.778 1.00 92.72 ? 904 SO4 A O2 1 HETATM 2215 O O3 . SO4 S 7 . ? -0.803 28.885 16.032 1.00 94.14 ? 904 SO4 A O3 1 HETATM 2216 O O4 . SO4 S 7 . ? 0.080 29.870 14.046 1.00 90.35 ? 904 SO4 A O4 1 HETATM 2217 S S . SO4 T 7 . ? 13.434 81.057 20.758 1.00 114.86 ? 905 SO4 A S 1 HETATM 2218 O O1 . SO4 T 7 . ? 12.533 80.917 21.914 1.00 111.38 ? 905 SO4 A O1 1 HETATM 2219 O O2 . SO4 T 7 . ? 14.042 82.392 20.806 1.00 115.43 ? 905 SO4 A O2 1 HETATM 2220 O O3 . SO4 T 7 . ? 14.517 80.065 20.739 1.00 113.72 ? 905 SO4 A O3 1 HETATM 2221 O O4 . SO4 T 7 . ? 12.680 80.902 19.505 1.00 115.10 ? 905 SO4 A O4 1 HETATM 2222 S S . SO4 U 7 . ? -6.719 54.542 18.778 1.00 78.39 ? 906 SO4 A S 1 HETATM 2223 O O1 . SO4 U 7 . ? -8.109 54.202 18.411 1.00 80.39 ? 906 SO4 A O1 1 HETATM 2224 O O2 . SO4 U 7 . ? -6.535 55.993 18.797 1.00 77.61 ? 906 SO4 A O2 1 HETATM 2225 O O3 . SO4 U 7 . ? -6.372 53.990 20.115 1.00 74.12 ? 906 SO4 A O3 1 HETATM 2226 O O4 . SO4 U 7 . ? -5.905 53.960 17.707 1.00 78.78 ? 906 SO4 A O4 1 HETATM 2227 S S . SO4 V 7 . ? 30.640 53.363 3.484 0.50 57.41 ? 907 SO4 A S 1 HETATM 2228 O O1 . SO4 V 7 . ? 29.211 53.154 3.243 0.50 52.51 ? 907 SO4 A O1 1 HETATM 2229 O O2 . SO4 V 7 . ? 30.743 54.472 4.438 0.50 44.88 ? 907 SO4 A O2 1 HETATM 2230 O O3 . SO4 V 7 . ? 31.186 52.078 3.908 0.50 49.84 ? 907 SO4 A O3 1 HETATM 2231 O O4 . SO4 V 7 . ? 31.373 53.719 2.266 0.50 55.39 ? 907 SO4 A O4 1 HETATM 2232 C C . ACT W 8 . ? -10.314 41.362 5.410 1.00 46.68 ? 910 ACT A C 1 HETATM 2233 O O . ACT W 8 . ? -9.117 40.944 5.282 1.00 45.07 ? 910 ACT A O 1 HETATM 2234 O OXT . ACT W 8 . ? -10.979 40.813 6.347 1.00 45.26 ? 910 ACT A OXT 1 HETATM 2235 C CH3 . ACT W 8 . ? -10.897 42.443 4.524 1.00 44.06 ? 910 ACT A CH3 1 HETATM 2236 O O . HOH X 9 . ? 0.064 39.687 -0.014 0.50 42.75 ? 911 HOH A O 1 HETATM 2237 O O . HOH X 9 . ? 0.045 35.496 0.012 0.50 46.25 ? 912 HOH A O 1 HETATM 2238 O O . HOH X 9 . ? 30.143 52.210 13.537 0.50 48.80 ? 913 HOH A O 1 HETATM 2239 O O . HOH X 9 . ? 30.395 52.651 27.440 0.50 52.10 ? 914 HOH A O 1 HETATM 2240 O O . HOH X 9 . ? 0.683 55.288 0.065 0.50 50.52 ? 915 HOH A O 1 HETATM 2241 O O . HOH X 9 . ? 29.328 62.756 19.395 1.00 33.62 ? 916 HOH A O 1 HETATM 2242 O O . HOH X 9 . ? 17.415 63.985 12.281 1.00 35.03 ? 917 HOH A O 1 HETATM 2243 O O . HOH X 9 . ? 19.963 55.053 14.779 1.00 35.97 ? 918 HOH A O 1 HETATM 2244 O O . HOH X 9 . ? 6.926 37.349 13.156 1.00 36.76 ? 919 HOH A O 1 HETATM 2245 O O . HOH X 9 . ? 2.552 49.743 16.500 1.00 36.73 ? 920 HOH A O 1 HETATM 2246 O O . HOH X 9 . ? 15.040 48.626 9.985 1.00 34.89 ? 921 HOH A O 1 HETATM 2247 O O . HOH X 9 . ? 37.127 56.263 16.058 1.00 38.11 ? 922 HOH A O 1 HETATM 2248 O O . HOH X 9 . ? 19.344 71.965 23.364 1.00 37.18 ? 923 HOH A O 1 HETATM 2249 O O . HOH X 9 . ? 25.033 59.069 23.654 1.00 40.72 ? 924 HOH A O 1 HETATM 2250 O O . HOH X 9 . ? 10.856 54.213 10.099 1.00 33.90 ? 925 HOH A O 1 HETATM 2251 O O . HOH X 9 . ? 3.921 45.855 2.678 1.00 35.25 ? 926 HOH A O 1 HETATM 2252 O O . HOH X 9 . ? 22.723 56.715 9.115 1.00 36.67 ? 927 HOH A O 1 HETATM 2253 O O . HOH X 9 . ? -0.810 38.588 18.960 1.00 39.73 ? 928 HOH A O 1 HETATM 2254 O O . HOH X 9 . ? 29.706 68.418 22.676 1.00 37.15 ? 929 HOH A O 1 HETATM 2255 O O . HOH X 9 . ? 4.245 51.400 29.635 1.00 38.55 ? 930 HOH A O 1 HETATM 2256 O O . HOH X 9 . ? 16.129 47.818 16.854 1.00 55.68 ? 931 HOH A O 1 HETATM 2257 O O . HOH X 9 . ? 18.300 59.024 17.690 1.00 42.98 ? 932 HOH A O 1 HETATM 2258 O O . HOH X 9 . ? 33.746 60.519 21.093 1.00 41.72 ? 933 HOH A O 1 HETATM 2259 O O . HOH X 9 . ? 21.412 38.412 8.178 1.00 43.42 ? 934 HOH A O 1 HETATM 2260 O O . HOH X 9 . ? -4.954 52.360 4.551 1.00 35.15 ? 935 HOH A O 1 HETATM 2261 O O . HOH X 9 . ? 14.692 35.369 9.479 1.00 43.14 ? 936 HOH A O 1 HETATM 2262 O O . HOH X 9 . ? 5.340 59.243 17.622 1.00 39.13 ? 937 HOH A O 1 HETATM 2263 O O . HOH X 9 . ? -4.648 52.073 17.362 1.00 52.32 ? 938 HOH A O 1 HETATM 2264 O O . HOH X 9 . ? 33.728 57.327 14.373 1.00 42.52 ? 939 HOH A O 1 HETATM 2265 O O . HOH X 9 . ? 24.676 76.688 29.391 1.00 39.07 ? 940 HOH A O 1 HETATM 2266 O O . HOH X 9 . ? 26.728 73.569 12.239 1.00 38.25 ? 941 HOH A O 1 HETATM 2267 O O . HOH X 9 . ? 3.855 43.240 27.818 1.00 41.86 ? 942 HOH A O 1 HETATM 2268 O O . HOH X 9 . ? 18.770 50.405 9.446 1.00 42.79 ? 943 HOH A O 1 HETATM 2269 O O . HOH X 9 . ? 1.757 58.752 15.637 1.00 42.72 ? 944 HOH A O 1 HETATM 2270 O O . HOH X 9 . ? 5.829 36.872 19.268 1.00 42.91 ? 945 HOH A O 1 HETATM 2271 O O . HOH X 9 . ? 20.936 44.769 4.230 1.00 40.36 ? 946 HOH A O 1 HETATM 2272 O O . HOH X 9 . ? 37.732 65.729 19.304 1.00 47.03 ? 947 HOH A O 1 HETATM 2273 O O . HOH X 9 . ? -2.719 47.095 3.741 1.00 43.38 ? 948 HOH A O 1 HETATM 2274 O O . HOH X 9 . ? 8.151 59.373 17.931 1.00 38.50 ? 949 HOH A O 1 HETATM 2275 O O . HOH X 9 . ? 4.880 60.541 1.624 1.00 45.44 ? 950 HOH A O 1 HETATM 2276 O O . HOH X 9 . ? 10.594 38.746 18.943 1.00 46.34 ? 951 HOH A O 1 HETATM 2277 O O . HOH X 9 . ? 17.786 41.228 -2.764 1.00 46.05 ? 952 HOH A O 1 HETATM 2278 O O . HOH X 9 . ? 31.968 67.858 27.084 1.00 45.64 ? 953 HOH A O 1 HETATM 2279 O O . HOH X 9 . ? -0.017 41.398 20.120 1.00 41.42 ? 954 HOH A O 1 HETATM 2280 O O . HOH X 9 . ? 16.079 60.372 18.223 1.00 45.16 ? 955 HOH A O 1 HETATM 2281 O O . HOH X 9 . ? -2.746 42.183 18.826 1.00 40.33 ? 956 HOH A O 1 HETATM 2282 O O . HOH X 9 . ? 12.260 28.800 6.419 1.00 50.40 ? 957 HOH A O 1 HETATM 2283 O O . HOH X 9 . ? 13.515 49.878 19.869 1.00 46.76 ? 958 HOH A O 1 HETATM 2284 O O . HOH X 9 . ? 32.842 70.284 28.139 1.00 45.64 ? 959 HOH A O 1 HETATM 2285 O O . HOH X 9 . ? 4.575 35.313 -1.273 1.00 47.08 ? 960 HOH A O 1 HETATM 2286 O O . HOH X 9 . ? 3.935 61.629 7.789 1.00 45.97 ? 961 HOH A O 1 HETATM 2287 O O . HOH X 9 . ? 35.649 61.536 5.546 1.00 47.37 ? 962 HOH A O 1 HETATM 2288 O O . HOH X 9 . ? 19.552 75.795 11.799 1.00 47.89 ? 963 HOH A O 1 HETATM 2289 O O . HOH X 9 . ? -7.079 42.423 4.032 1.00 43.92 ? 964 HOH A O 1 HETATM 2290 O O . HOH X 9 . ? 12.078 74.222 18.391 1.00 45.25 ? 965 HOH A O 1 HETATM 2291 O O . HOH X 9 . ? 6.679 41.053 -1.929 1.00 41.38 ? 966 HOH A O 1 HETATM 2292 O O . HOH X 9 . ? 21.265 78.348 31.721 1.00 45.91 ? 967 HOH A O 1 HETATM 2293 O O . HOH X 9 . ? 1.463 37.592 1.109 1.00 42.13 ? 968 HOH A O 1 HETATM 2294 O O . HOH X 9 . ? 27.944 53.245 12.586 1.00 47.75 ? 969 HOH A O 1 HETATM 2295 O O . HOH X 9 . ? 16.229 45.140 -5.887 1.00 45.98 ? 970 HOH A O 1 HETATM 2296 O O . HOH X 9 . ? 24.711 70.773 32.237 1.00 55.99 ? 971 HOH A O 1 HETATM 2297 O O . HOH X 9 . ? 3.306 52.926 -0.031 1.00 46.89 ? 972 HOH A O 1 HETATM 2298 O O . HOH X 9 . ? 3.051 40.107 25.997 1.00 52.11 ? 973 HOH A O 1 HETATM 2299 O O . HOH X 9 . ? 14.943 42.716 -5.689 1.00 43.57 ? 974 HOH A O 1 HETATM 2300 O O . HOH X 9 . ? 10.019 61.592 6.951 1.00 42.16 ? 975 HOH A O 1 HETATM 2301 O O . HOH X 9 . ? 21.764 61.235 26.362 1.00 48.16 ? 976 HOH A O 1 HETATM 2302 O O . HOH X 9 . ? 15.858 49.130 -8.557 1.00 46.31 ? 977 HOH A O 1 HETATM 2303 O O . HOH X 9 . ? 5.683 71.182 14.200 1.00 48.59 ? 978 HOH A O 1 HETATM 2304 O O . HOH X 9 . ? 17.465 41.368 -5.108 1.00 53.49 ? 979 HOH A O 1 HETATM 2305 O O . HOH X 9 . ? 14.969 71.905 3.956 1.00 51.58 ? 980 HOH A O 1 HETATM 2306 O O . HOH X 9 . ? 34.756 55.053 15.939 1.00 48.16 ? 981 HOH A O 1 HETATM 2307 O O . HOH X 9 . ? 5.680 71.586 16.945 1.00 48.19 ? 982 HOH A O 1 HETATM 2308 O O . HOH X 9 . ? 1.897 56.605 24.814 1.00 46.85 ? 983 HOH A O 1 HETATM 2309 O O . HOH X 9 . ? 14.060 49.276 17.311 1.00 48.64 ? 984 HOH A O 1 HETATM 2310 O O . HOH X 9 . ? 7.535 60.692 1.642 1.00 49.29 ? 985 HOH A O 1 HETATM 2311 O O . HOH X 9 . ? 7.016 71.276 10.226 1.00 47.60 ? 986 HOH A O 1 HETATM 2312 O O . HOH X 9 . ? 9.406 39.438 -2.797 1.00 57.29 ? 987 HOH A O 1 HETATM 2313 O O . HOH X 9 . ? 16.757 63.720 31.113 1.00 54.08 ? 988 HOH A O 1 HETATM 2314 O O . HOH X 9 . ? 24.198 60.829 25.460 1.00 46.79 ? 989 HOH A O 1 HETATM 2315 O O . HOH X 9 . ? 9.760 62.731 4.521 1.00 47.48 ? 990 HOH A O 1 HETATM 2316 O O . HOH X 9 . ? 14.835 73.226 17.858 1.00 44.72 ? 991 HOH A O 1 HETATM 2317 O O . HOH X 9 . ? -6.072 33.890 3.282 1.00 47.28 ? 992 HOH A O 1 HETATM 2318 O O . HOH X 9 . ? 29.196 70.455 4.778 1.00 50.78 ? 993 HOH A O 1 HETATM 2319 O O . HOH X 9 . ? 33.291 58.033 21.581 1.00 51.35 ? 994 HOH A O 1 HETATM 2320 O O . HOH X 9 . ? -14.656 46.845 7.451 1.00 46.17 ? 995 HOH A O 1 HETATM 2321 O O . HOH X 9 . ? 25.306 81.833 23.998 1.00 53.48 ? 996 HOH A O 1 HETATM 2322 O O . HOH X 9 . ? 29.075 76.334 18.331 1.00 52.68 ? 997 HOH A O 1 HETATM 2323 O O . HOH X 9 . ? 27.891 62.330 27.539 1.00 59.39 ? 998 HOH A O 1 HETATM 2324 O O . HOH X 9 . ? 33.735 61.885 23.675 1.00 56.24 ? 999 HOH A O 1 HETATM 2325 O O . HOH X 9 . ? 37.608 68.865 23.281 1.00 47.16 ? 1000 HOH A O 1 HETATM 2326 O O . HOH X 9 . ? 18.916 48.660 -2.134 1.00 47.57 ? 1001 HOH A O 1 HETATM 2327 O O . HOH X 9 . ? 13.294 41.698 -7.571 1.00 47.06 ? 1002 HOH A O 1 HETATM 2328 O O . HOH X 9 . ? 0.021 61.283 6.065 1.00 53.81 ? 1003 HOH A O 1 HETATM 2329 O O . HOH X 9 . ? -3.823 44.408 22.599 1.00 55.55 ? 1004 HOH A O 1 HETATM 2330 O O . HOH X 9 . ? 28.979 62.691 1.341 1.00 49.08 ? 1005 HOH A O 1 HETATM 2331 O O . HOH X 9 . ? 10.363 48.231 24.590 1.00 52.35 ? 1006 HOH A O 1 HETATM 2332 O O . HOH X 9 . ? 14.003 56.010 20.133 1.00 53.13 ? 1007 HOH A O 1 HETATM 2333 O O . HOH X 9 . ? 12.340 59.268 8.969 1.00 53.42 ? 1008 HOH A O 1 HETATM 2334 O O . HOH X 9 . ? 37.378 65.562 5.455 1.00 50.51 ? 1009 HOH A O 1 HETATM 2335 O O . HOH X 9 . ? 3.172 56.007 0.482 1.00 48.48 ? 1010 HOH A O 1 HETATM 2336 O O . HOH X 9 . ? 6.204 28.540 10.499 1.00 52.43 ? 1011 HOH A O 1 HETATM 2337 O O . HOH X 9 . ? 9.562 73.942 21.005 1.00 46.12 ? 1012 HOH A O 1 HETATM 2338 O O . HOH X 9 . ? 6.840 61.970 25.549 1.00 51.20 ? 1013 HOH A O 1 HETATM 2339 O O . HOH X 9 . ? -9.920 39.941 8.583 1.00 47.62 ? 1014 HOH A O 1 HETATM 2340 O O . HOH X 9 . ? 23.536 54.656 2.855 1.00 62.16 ? 1015 HOH A O 1 HETATM 2341 O O . HOH X 9 . ? -0.886 32.504 13.286 1.00 46.65 ? 1016 HOH A O 1 HETATM 2342 O O . HOH X 9 . ? 24.979 50.868 13.673 1.00 56.47 ? 1017 HOH A O 1 HETATM 2343 O O . HOH X 9 . ? 22.994 56.798 25.943 1.00 66.01 ? 1018 HOH A O 1 HETATM 2344 O O . HOH X 9 . ? 20.414 54.120 -5.029 1.00 52.55 ? 1019 HOH A O 1 HETATM 2345 O O . HOH X 9 . ? 20.245 55.049 22.135 1.00 56.02 ? 1020 HOH A O 1 HETATM 2346 O O . HOH X 9 . ? 31.349 75.648 16.880 1.00 48.73 ? 1021 HOH A O 1 HETATM 2347 O O . HOH X 9 . ? 14.744 76.588 14.023 1.00 58.64 ? 1022 HOH A O 1 HETATM 2348 O O . HOH X 9 . ? 34.057 67.613 4.622 1.00 49.67 ? 1023 HOH A O 1 HETATM 2349 O O . HOH X 9 . ? 1.769 59.403 18.379 1.00 51.54 ? 1024 HOH A O 1 HETATM 2350 O O . HOH X 9 . ? 12.293 35.185 -1.412 1.00 60.43 ? 1025 HOH A O 1 HETATM 2351 O O . HOH X 9 . ? 11.380 74.759 29.777 1.00 50.96 ? 1026 HOH A O 1 HETATM 2352 O O . HOH X 9 . ? 15.107 52.030 22.002 1.00 61.88 ? 1027 HOH A O 1 HETATM 2353 O O . HOH X 9 . ? 22.525 47.818 13.157 1.00 54.82 ? 1028 HOH A O 1 HETATM 2354 O O . HOH X 9 . ? 8.335 34.641 -1.856 1.00 48.38 ? 1029 HOH A O 1 HETATM 2355 O O . HOH X 9 . ? 37.029 63.596 4.118 1.00 55.63 ? 1030 HOH A O 1 HETATM 2356 O O . HOH X 9 . ? 27.071 76.150 11.309 1.00 52.47 ? 1031 HOH A O 1 HETATM 2357 O O . HOH X 9 . ? -5.029 51.380 14.509 1.00 53.18 ? 1032 HOH A O 1 HETATM 2358 O O . HOH X 9 . ? 22.611 45.293 8.889 1.00 59.96 ? 1033 HOH A O 1 HETATM 2359 O O . HOH X 9 . ? 18.774 44.172 -5.791 1.00 53.65 ? 1034 HOH A O 1 HETATM 2360 O O . HOH X 9 . ? 34.926 77.179 22.906 1.00 56.63 ? 1035 HOH A O 1 HETATM 2361 O O . HOH X 9 . ? 17.775 49.934 0.254 1.00 53.11 ? 1036 HOH A O 1 HETATM 2362 O O . HOH X 9 . ? -11.538 45.004 10.966 1.00 56.04 ? 1037 HOH A O 1 HETATM 2363 O O . HOH X 9 . ? 17.270 74.593 26.662 1.00 50.58 ? 1038 HOH A O 1 HETATM 2364 O O . HOH X 9 . ? 17.387 79.112 31.763 1.00 51.39 ? 1039 HOH A O 1 HETATM 2365 O O . HOH X 9 . ? 30.254 65.253 1.449 1.00 59.16 ? 1040 HOH A O 1 HETATM 2366 O O . HOH X 9 . ? -10.936 51.418 12.059 1.00 56.73 ? 1041 HOH A O 1 HETATM 2367 O O . HOH X 9 . ? 0.938 52.576 23.772 1.00 51.55 ? 1042 HOH A O 1 HETATM 2368 O O . HOH X 9 . ? 39.481 77.463 16.536 1.00 73.71 ? 1043 HOH A O 1 HETATM 2369 O O . HOH X 9 . ? 19.919 44.660 -3.646 1.00 55.20 ? 1044 HOH A O 1 HETATM 2370 O O . HOH X 9 . ? 31.053 54.768 15.021 1.00 53.08 ? 1045 HOH A O 1 HETATM 2371 O O . HOH X 9 . ? 5.702 51.292 -0.510 1.00 63.61 ? 1046 HOH A O 1 HETATM 2372 O O . HOH X 9 . ? 28.922 53.698 18.667 1.00 63.25 ? 1047 HOH A O 1 HETATM 2373 O O . HOH X 9 . ? 8.755 57.447 20.008 1.00 57.89 ? 1048 HOH A O 1 HETATM 2374 O O . HOH X 9 . ? 2.803 55.997 27.427 1.00 52.11 ? 1049 HOH A O 1 HETATM 2375 O O . HOH X 9 . ? 14.467 54.671 2.187 1.00 60.40 ? 1050 HOH A O 1 HETATM 2376 O O . HOH X 9 . ? 5.952 64.898 22.297 1.00 51.85 ? 1051 HOH A O 1 HETATM 2377 O O . HOH X 9 . ? 1.101 61.146 14.278 1.00 55.74 ? 1052 HOH A O 1 HETATM 2378 O O . HOH X 9 . ? -2.052 42.129 21.954 1.00 57.30 ? 1053 HOH A O 1 HETATM 2379 O O . HOH X 9 . ? -0.006 33.293 17.532 1.00 54.77 ? 1054 HOH A O 1 HETATM 2380 O O . HOH X 9 . ? 0.789 36.766 20.280 1.00 52.27 ? 1055 HOH A O 1 HETATM 2381 O O . HOH X 9 . ? 14.586 75.387 25.790 1.00 49.85 ? 1056 HOH A O 1 HETATM 2382 O O . HOH X 9 . ? 2.350 62.231 10.046 1.00 55.75 ? 1057 HOH A O 1 HETATM 2383 O O . HOH X 9 . ? 27.234 66.937 27.960 1.00 57.54 ? 1058 HOH A O 1 HETATM 2384 O O . HOH X 9 . ? 19.760 42.383 -1.527 1.00 54.04 ? 1059 HOH A O 1 HETATM 2385 O O . HOH X 9 . ? 4.505 35.188 23.224 1.00 62.24 ? 1060 HOH A O 1 HETATM 2386 O O . HOH X 9 . ? 18.054 57.279 -7.240 1.00 60.23 ? 1061 HOH A O 1 HETATM 2387 O O . HOH X 9 . ? 12.771 61.553 8.022 1.00 55.11 ? 1062 HOH A O 1 HETATM 2388 O O . HOH X 9 . ? -0.143 54.843 24.247 1.00 57.04 ? 1063 HOH A O 1 HETATM 2389 O O . HOH X 9 . ? 16.735 57.105 2.250 1.00 54.14 ? 1064 HOH A O 1 HETATM 2390 O O . HOH X 9 . ? 9.320 65.120 26.758 1.00 58.54 ? 1065 HOH A O 1 HETATM 2391 O O . HOH X 9 . ? 14.707 40.642 19.329 1.00 62.85 ? 1066 HOH A O 1 HETATM 2392 O O . HOH X 9 . ? 26.577 78.381 29.448 1.00 53.44 ? 1067 HOH A O 1 HETATM 2393 O O . HOH X 9 . ? -2.095 33.852 0.896 1.00 49.07 ? 1068 HOH A O 1 HETATM 2394 O O . HOH X 9 . ? 3.533 58.471 -0.463 1.00 51.13 ? 1069 HOH A O 1 HETATM 2395 O O . HOH X 9 . ? 21.629 60.611 1.082 1.00 63.77 ? 1070 HOH A O 1 HETATM 2396 O O . HOH X 9 . ? 34.853 57.190 23.734 1.00 58.48 ? 1071 HOH A O 1 HETATM 2397 O O . HOH X 9 . ? 14.732 58.648 19.466 1.00 56.22 ? 1072 HOH A O 1 HETATM 2398 O O . HOH X 9 . ? -2.260 59.398 3.845 1.00 53.34 ? 1073 HOH A O 1 HETATM 2399 O O . HOH X 9 . ? 31.867 56.395 20.410 1.00 57.20 ? 1074 HOH A O 1 HETATM 2400 O O . HOH X 9 . ? -2.091 54.609 26.347 1.00 56.42 ? 1075 HOH A O 1 HETATM 2401 O O . HOH X 9 . ? 16.044 33.390 10.692 1.00 50.83 ? 1076 HOH A O 1 HETATM 2402 O O . HOH X 9 . ? 12.304 76.741 16.827 1.00 51.99 ? 1077 HOH A O 1 HETATM 2403 O O . HOH X 9 . ? 38.528 70.115 25.659 1.00 70.80 ? 1078 HOH A O 1 HETATM 2404 O O . HOH X 9 . ? 21.887 64.858 3.240 1.00 64.40 ? 1079 HOH A O 1 HETATM 2405 O O . HOH X 9 . ? 24.979 47.935 12.323 1.00 53.23 ? 1080 HOH A O 1 HETATM 2406 O O . HOH X 9 . ? 21.527 81.511 24.913 1.00 53.08 ? 1081 HOH A O 1 HETATM 2407 O O . HOH X 9 . ? 12.959 27.607 13.040 1.00 75.56 ? 1082 HOH A O 1 HETATM 2408 O O . HOH X 9 . ? 27.752 52.967 16.879 1.00 59.56 ? 1083 HOH A O 1 HETATM 2409 O O . HOH X 9 . ? 31.517 61.160 22.922 1.00 58.62 ? 1084 HOH A O 1 HETATM 2410 O O . HOH X 9 . ? 26.147 67.710 30.537 1.00 61.85 ? 1085 HOH A O 1 HETATM 2411 O O . HOH X 9 . ? 22.163 43.122 7.356 1.00 58.22 ? 1086 HOH A O 1 HETATM 2412 O O . HOH X 9 . ? 40.952 70.775 9.793 1.00 64.24 ? 1087 HOH A O 1 HETATM 2413 O O . HOH X 9 . ? 21.079 50.185 -8.128 1.00 65.96 ? 1088 HOH A O 1 HETATM 2414 O O . HOH X 9 . ? 3.901 64.939 20.622 1.00 53.83 ? 1089 HOH A O 1 HETATM 2415 O O . HOH X 9 . ? 19.655 59.815 25.214 1.00 66.87 ? 1090 HOH A O 1 HETATM 2416 O O . HOH X 9 . ? 16.173 67.414 32.350 1.00 56.55 ? 1091 HOH A O 1 HETATM 2417 O O . HOH X 9 . ? -2.347 30.210 6.202 1.00 58.15 ? 1092 HOH A O 1 HETATM 2418 O O . HOH X 9 . ? 15.223 57.041 -8.539 1.00 62.26 ? 1093 HOH A O 1 HETATM 2419 O O . HOH X 9 . ? 13.684 80.442 32.330 1.00 51.87 ? 1094 HOH A O 1 HETATM 2420 O O . HOH X 9 . ? 16.694 33.792 13.409 1.00 56.49 ? 1095 HOH A O 1 HETATM 2421 O O . HOH X 9 . ? 11.061 59.496 1.024 1.00 56.94 ? 1096 HOH A O 1 HETATM 2422 O O . HOH X 9 . ? 10.709 37.549 -4.232 1.00 59.39 ? 1097 HOH A O 1 HETATM 2423 O O . HOH X 9 . ? 21.299 43.592 1.854 1.00 54.58 ? 1098 HOH A O 1 HETATM 2424 O O . HOH X 9 . ? 33.368 57.065 7.418 1.00 57.24 ? 1099 HOH A O 1 HETATM 2425 O O . HOH X 9 . ? -0.204 34.628 19.566 1.00 70.89 ? 1100 HOH A O 1 HETATM 2426 O O . HOH X 9 . ? 13.826 56.914 -6.332 1.00 51.41 ? 1101 HOH A O 1 HETATM 2427 O O . HOH X 9 . ? 5.123 73.227 12.147 1.00 67.53 ? 1102 HOH A O 1 HETATM 2428 O O . HOH X 9 . ? 35.557 63.519 27.127 1.00 65.21 ? 1103 HOH A O 1 HETATM 2429 O O . HOH X 9 . ? 21.491 36.366 4.327 1.00 60.56 ? 1104 HOH A O 1 HETATM 2430 O O . HOH X 9 . ? -12.672 42.798 9.989 1.00 66.70 ? 1105 HOH A O 1 HETATM 2431 O O . HOH X 9 . ? -3.434 59.890 8.881 1.00 59.05 ? 1106 HOH A O 1 HETATM 2432 O O . HOH X 9 . ? -4.492 55.993 15.732 1.00 52.76 ? 1107 HOH A O 1 HETATM 2433 O O . HOH X 9 . ? 14.900 79.492 14.566 1.00 71.65 ? 1108 HOH A O 1 HETATM 2434 O O . HOH X 9 . ? 28.341 79.994 20.688 1.00 63.29 ? 1109 HOH A O 1 HETATM 2435 O O . HOH X 9 . ? 41.306 60.126 20.928 1.00 71.20 ? 1110 HOH A O 1 HETATM 2436 O O . HOH X 9 . ? 10.346 35.521 -3.058 1.00 61.25 ? 1111 HOH A O 1 HETATM 2437 O O . HOH X 9 . ? -5.431 46.683 22.305 1.00 55.46 ? 1112 HOH A O 1 HETATM 2438 O O . HOH X 9 . ? -8.470 49.315 13.993 1.00 69.23 ? 1113 HOH A O 1 HETATM 2439 O O . HOH X 9 . ? -2.034 56.057 22.207 1.00 52.91 ? 1114 HOH A O 1 HETATM 2440 O O . HOH X 9 . ? 9.354 66.301 6.390 1.00 62.74 ? 1115 HOH A O 1 HETATM 2441 O O . HOH X 9 . ? 13.808 42.275 21.402 1.00 65.28 ? 1116 HOH A O 1 HETATM 2442 O O . HOH X 9 . ? -5.068 31.449 2.888 1.00 69.02 ? 1117 HOH A O 1 HETATM 2443 O O . HOH X 9 . ? 0.106 56.865 1.710 1.00 52.86 ? 1118 HOH A O 1 HETATM 2444 O O . HOH X 9 . ? 24.209 78.815 8.923 1.00 66.37 ? 1119 HOH A O 1 HETATM 2445 O O . HOH X 9 . ? 32.587 66.646 1.604 1.00 60.91 ? 1120 HOH A O 1 HETATM 2446 O O . HOH X 9 . ? 8.526 72.037 8.091 1.00 67.99 ? 1121 HOH A O 1 HETATM 2447 O O . HOH X 9 . ? 2.303 29.313 16.183 1.00 69.79 ? 1122 HOH A O 1 HETATM 2448 O O . HOH X 9 . ? 12.327 51.629 23.671 1.00 61.05 ? 1123 HOH A O 1 HETATM 2449 O O . HOH X 9 . ? -2.650 32.052 3.248 1.00 63.69 ? 1124 HOH A O 1 HETATM 2450 O O . HOH X 9 . ? -4.977 59.042 3.050 1.00 61.78 ? 1125 HOH A O 1 HETATM 2451 O O . HOH X 9 . ? 18.222 31.508 6.504 1.00 69.88 ? 1126 HOH A O 1 HETATM 2452 O O . HOH X 9 . ? -1.696 59.410 17.561 1.00 59.12 ? 1127 HOH A O 1 HETATM 2453 O O . HOH X 9 . ? 9.002 60.332 -0.436 1.00 67.00 ? 1128 HOH A O 1 HETATM 2454 O O . HOH X 9 . ? 9.410 73.438 28.631 1.00 58.54 ? 1129 HOH A O 1 HETATM 2455 O O . HOH X 9 . ? 19.115 56.574 19.436 1.00 35.11 ? 1130 HOH A O 1 HETATM 2456 O O . HOH X 9 . ? 9.426 56.201 -7.298 1.00 43.69 ? 1131 HOH A O 1 HETATM 2457 O O . HOH X 9 . ? -2.111 49.829 3.564 1.00 43.75 ? 1132 HOH A O 1 HETATM 2458 O O . HOH X 9 . ? 36.772 69.166 15.764 1.00 52.51 ? 1133 HOH A O 1 HETATM 2459 O O . HOH X 9 . ? 12.523 39.886 17.593 1.00 56.48 ? 1134 HOH A O 1 HETATM 2460 O O . HOH X 9 . ? 33.766 52.163 22.327 1.00 55.95 ? 1135 HOH A O 1 HETATM 2461 O O . HOH X 9 . ? -5.025 40.597 20.610 1.00 65.95 ? 1136 HOH A O 1 HETATM 2462 O O . HOH X 9 . ? 29.646 56.678 4.524 1.00 56.09 ? 1137 HOH A O 1 HETATM 2463 O O . HOH X 9 . ? 7.739 51.025 26.766 1.00 48.95 ? 1138 HOH A O 1 HETATM 2464 O O . HOH X 9 . ? -8.460 46.862 19.568 1.00 51.72 ? 1139 HOH A O 1 HETATM 2465 O O . HOH X 9 . ? -4.504 60.008 6.632 1.00 66.50 ? 1140 HOH A O 1 HETATM 2466 O O . HOH X 9 . ? -3.405 38.541 20.355 1.00 58.94 ? 1141 HOH A O 1 HETATM 2467 O O . HOH X 9 . ? -0.865 50.587 25.267 1.00 59.89 ? 1142 HOH A O 1 HETATM 2468 O O . HOH X 9 . ? 9.628 26.511 7.345 1.00 59.22 ? 1143 HOH A O 1 HETATM 2469 O O . HOH X 9 . ? 12.145 76.561 12.368 1.00 63.07 ? 1144 HOH A O 1 HETATM 2470 O O . HOH X 9 . ? 3.611 66.366 16.241 1.00 60.51 ? 1145 HOH A O 1 HETATM 2471 O O . HOH X 9 . ? 3.012 62.909 5.715 1.00 56.83 ? 1146 HOH A O 1 HETATM 2472 O O . HOH X 9 . ? 8.272 64.931 8.258 1.00 62.75 ? 1147 HOH A O 1 HETATM 2473 O O . HOH X 9 . ? 5.133 54.568 27.939 1.00 59.61 ? 1148 HOH A O 1 HETATM 2474 O O . HOH X 9 . ? 30.396 59.619 28.392 1.00 73.89 ? 1149 HOH A O 1 HETATM 2475 O O . HOH X 9 . ? 37.419 66.974 16.846 1.00 59.72 ? 1150 HOH A O 1 HETATM 2476 O O . HOH X 9 . ? 10.570 72.442 4.427 1.00 71.05 ? 1151 HOH A O 1 HETATM 2477 O O . HOH X 9 . ? 28.386 67.878 1.101 1.00 67.39 ? 1152 HOH A O 1 HETATM 2478 O O . HOH X 9 . ? 26.070 53.109 14.696 1.00 59.43 ? 1153 HOH A O 1 HETATM 2479 O O . HOH X 9 . ? 30.439 60.377 0.866 1.00 67.51 ? 1154 HOH A O 1 HETATM 2480 O O . HOH X 9 . ? 7.748 36.474 29.876 1.00 76.62 ? 1155 HOH A O 1 HETATM 2481 O O . HOH X 9 . ? 4.010 35.552 20.701 1.00 64.04 ? 1156 HOH A O 1 HETATM 2482 O O . HOH X 9 . ? 35.294 65.724 2.059 1.00 71.10 ? 1157 HOH A O 1 HETATM 2483 O O . HOH X 9 . ? 21.018 46.407 11.392 1.00 63.13 ? 1158 HOH A O 1 HETATM 2484 O O . HOH X 9 . ? -4.698 31.631 8.451 1.00 65.84 ? 1159 HOH A O 1 HETATM 2485 O O . HOH X 9 . ? 6.112 32.330 3.946 1.00 65.13 ? 1160 HOH A O 1 HETATM 2486 O O . HOH X 9 . ? 22.460 55.825 0.892 1.00 74.53 ? 1161 HOH A O 1 HETATM 2487 O O . HOH X 9 . ? 0.544 71.662 18.619 1.00 76.14 ? 1162 HOH A O 1 HETATM 2488 O O . HOH X 9 . ? 24.169 51.360 23.245 1.00 70.92 ? 1163 HOH A O 1 HETATM 2489 O O . HOH X 9 . ? 26.259 62.807 0.096 1.00 68.64 ? 1164 HOH A O 1 HETATM 2490 O O . HOH X 9 . ? 39.217 69.823 19.382 1.00 66.02 ? 1165 HOH A O 1 HETATM 2491 O O . HOH X 9 . ? -14.189 46.013 10.017 1.00 60.78 ? 1166 HOH A O 1 HETATM 2492 O O . HOH X 9 . ? 13.048 77.547 9.607 1.00 71.77 ? 1167 HOH A O 1 HETATM 2493 O O . HOH X 9 . ? 14.891 30.958 10.203 1.00 67.59 ? 1168 HOH A O 1 HETATM 2494 O O . HOH X 9 . ? 10.279 76.823 31.073 1.00 58.55 ? 1169 HOH A O 1 HETATM 2495 O O . HOH X 9 . ? 35.663 70.554 28.497 1.00 60.98 ? 1170 HOH A O 1 HETATM 2496 O O . HOH X 9 . ? 7.526 39.937 29.939 1.00 64.67 ? 1171 HOH A O 1 HETATM 2497 O O . HOH X 9 . ? 5.410 25.712 11.376 1.00 75.07 ? 1172 HOH A O 1 HETATM 2498 O O . HOH X 9 . ? 16.750 48.222 -11.166 1.00 72.23 ? 1173 HOH A O 1 HETATM 2499 O O . HOH X 9 . ? 33.252 65.770 28.994 1.00 64.67 ? 1174 HOH A O 1 HETATM 2500 O O . HOH X 9 . ? 3.907 62.952 3.503 1.00 61.42 ? 1175 HOH A O 1 HETATM 2501 O O . HOH X 9 . ? 7.925 34.599 2.556 1.00 60.25 ? 1176 HOH A O 1 HETATM 2502 O O . HOH X 9 . ? 40.298 67.893 26.547 1.00 68.83 ? 1177 HOH A O 1 HETATM 2503 O O . HOH X 9 . ? 40.150 67.640 23.007 1.00 67.26 ? 1178 HOH A O 1 HETATM 2504 O O . HOH X 9 . ? 2.943 63.272 18.634 1.00 72.11 ? 1179 HOH A O 1 HETATM 2505 O O . HOH X 9 . ? -8.218 46.966 21.907 1.00 74.58 ? 1180 HOH A O 1 HETATM 2506 O O . HOH X 9 . ? 7.945 63.164 2.783 1.00 62.40 ? 1181 HOH A O 1 HETATM 2507 O O . HOH X 9 . ? 21.791 83.282 27.199 1.00 66.89 ? 1182 HOH A O 1 HETATM 2508 O O . HOH X 9 . ? 8.799 75.518 26.508 1.00 64.48 ? 1183 HOH A O 1 HETATM 2509 O O . HOH X 9 . ? -9.511 37.065 7.968 1.00 68.41 ? 1184 HOH A O 1 HETATM 2510 O O . HOH X 9 . ? 9.664 55.882 24.041 1.00 60.02 ? 1185 HOH A O 1 HETATM 2511 O O . HOH X 9 . ? 17.363 34.161 2.862 1.00 68.86 ? 1186 HOH A O 1 HETATM 2512 O O . HOH X 9 . ? 17.155 37.482 19.961 1.00 70.86 ? 1187 HOH A O 1 HETATM 2513 O O . HOH X 9 . ? 7.797 29.688 14.940 1.00 73.28 ? 1188 HOH A O 1 HETATM 2514 O O . HOH X 9 . ? 14.850 54.628 22.334 1.00 71.76 ? 1189 HOH A O 1 HETATM 2515 O O . HOH X 9 . ? 6.006 65.149 11.914 1.00 70.01 ? 1190 HOH A O 1 HETATM 2516 O O . HOH X 9 . ? 33.530 58.666 25.359 1.00 67.40 ? 1191 HOH A O 1 HETATM 2517 O O . HOH X 9 . ? 4.232 33.794 2.919 1.00 69.78 ? 1192 HOH A O 1 HETATM 2518 O O . HOH X 9 . ? 22.990 53.658 23.822 1.00 67.24 ? 1193 HOH A O 1 HETATM 2519 O O . HOH X 9 . ? 5.461 32.489 20.305 1.00 75.55 ? 1194 HOH A O 1 HETATM 2520 O O . HOH X 9 . ? 11.698 79.011 17.495 1.00 63.44 ? 1195 HOH A O 1 HETATM 2521 O O . HOH X 9 . ? 8.555 57.961 23.356 1.00 64.24 ? 1196 HOH A O 1 HETATM 2522 O O . HOH X 9 . ? 23.582 83.851 24.906 1.00 69.26 ? 1197 HOH A O 1 HETATM 2523 O O . HOH X 9 . ? 23.277 78.721 5.881 1.00 81.41 ? 1198 HOH A O 1 HETATM 2524 O O . HOH X 9 . ? 14.020 49.819 -12.154 1.00 77.63 ? 1199 HOH A O 1 HETATM 2525 O O . HOH X 9 . ? 32.054 58.560 5.662 1.00 65.57 ? 1200 HOH A O 1 HETATM 2526 O O . HOH X 9 . ? 11.440 37.905 23.973 1.00 73.74 ? 1201 HOH A O 1 HETATM 2527 O O . HOH X 9 . ? 31.802 70.639 30.530 1.00 60.51 ? 1202 HOH A O 1 HETATM 2528 O O . HOH X 9 . ? 16.171 79.582 7.106 1.00 68.55 ? 1203 HOH A O 1 HETATM 2529 O O . HOH X 9 . ? 5.534 69.288 9.624 1.00 68.28 ? 1204 HOH A O 1 HETATM 2530 O O . HOH X 9 . ? 38.719 69.509 12.582 1.00 77.72 ? 1205 HOH A O 1 HETATM 2531 O O . HOH X 9 . ? -8.963 43.752 14.588 1.00 67.08 ? 1206 HOH A O 1 HETATM 2532 O O . HOH X 9 . ? 16.932 49.668 19.707 1.00 69.62 ? 1207 HOH A O 1 HETATM 2533 O O . HOH X 9 . ? 7.391 29.247 19.032 1.00 68.17 ? 1208 HOH A O 1 HETATM 2534 O O . HOH X 9 . ? 14.213 39.276 -8.713 1.00 66.70 ? 1209 HOH A O 1 HETATM 2535 O O . HOH X 9 . ? -4.491 55.843 25.920 1.00 68.24 ? 1210 HOH A O 1 HETATM 2536 O O . HOH X 9 . ? 20.325 54.262 -9.386 1.00 68.87 ? 1211 HOH A O 1 HETATM 2537 O O . HOH X 9 . ? 18.340 52.880 21.740 1.00 71.74 ? 1212 HOH A O 1 HETATM 2538 O O . HOH X 9 . ? -5.364 55.671 21.944 1.00 77.06 ? 1213 HOH A O 1 HETATM 2539 O O . HOH X 9 . ? 8.568 78.876 17.336 1.00 73.16 ? 1214 HOH A O 1 HETATM 2540 O O . HOH X 9 . ? 4.725 63.759 25.664 1.00 63.65 ? 1215 HOH A O 1 HETATM 2541 O O . HOH X 9 . ? 24.852 50.456 4.265 1.00 66.48 ? 1216 HOH A O 1 HETATM 2542 O O . HOH X 9 . ? 16.390 39.126 -6.770 1.00 70.53 ? 1217 HOH A O 1 HETATM 2543 O O . HOH X 9 . ? 5.884 27.946 3.878 1.00 67.91 ? 1218 HOH A O 1 HETATM 2544 O O . HOH X 9 . ? 21.779 50.888 23.499 1.00 78.79 ? 1219 HOH A O 1 HETATM 2545 O O . HOH X 9 . ? 0.412 58.632 24.538 1.00 63.17 ? 1220 HOH A O 1 HETATM 2546 O O . HOH X 9 . ? 15.170 59.465 -10.413 1.00 75.55 ? 1221 HOH A O 1 HETATM 2547 O O . HOH X 9 . ? 4.389 28.977 18.102 1.00 81.01 ? 1222 HOH A O 1 HETATM 2548 O O . HOH X 9 . ? 23.156 47.852 1.713 1.00 62.74 ? 1223 HOH A O 1 HETATM 2549 O O . HOH X 9 . ? 31.268 84.008 20.890 1.00 78.10 ? 1224 HOH A O 1 HETATM 2550 O O . HOH X 9 . ? 17.560 61.831 29.062 1.00 72.19 ? 1225 HOH A O 1 HETATM 2551 O O . HOH X 9 . ? 32.484 55.067 18.054 1.00 78.76 ? 1226 HOH A O 1 HETATM 2552 O O . HOH X 9 . ? 6.667 76.183 13.277 1.00 68.81 ? 1227 HOH A O 1 HETATM 2553 O O . HOH X 9 . ? 22.788 81.085 9.798 1.00 69.57 ? 1228 HOH A O 1 HETATM 2554 O O . HOH X 9 . ? 4.401 74.386 16.353 1.00 59.88 ? 1229 HOH A O 1 HETATM 2555 O O . HOH X 9 . ? 22.475 64.342 33.034 1.00 77.51 ? 1230 HOH A O 1 HETATM 2556 O O . HOH X 9 . ? 14.185 47.877 21.484 1.00 62.69 ? 1231 HOH A O 1 HETATM 2557 O O . HOH X 9 . ? 32.321 61.780 -1.246 1.00 72.91 ? 1232 HOH A O 1 HETATM 2558 O O . HOH X 9 . ? 9.266 26.481 5.025 1.00 69.90 ? 1233 HOH A O 1 HETATM 2559 O O . HOH X 9 . ? 2.989 30.049 2.871 1.00 68.94 ? 1234 HOH A O 1 HETATM 2560 O O . HOH X 9 . ? 32.371 73.112 31.384 1.00 72.93 ? 1235 HOH A O 1 HETATM 2561 O O . HOH X 9 . ? 24.977 59.331 27.884 1.00 60.59 ? 1236 HOH A O 1 HETATM 2562 O O . HOH X 9 . ? 15.457 60.307 27.283 1.00 70.87 ? 1237 HOH A O 1 HETATM 2563 O O . HOH X 9 . ? 21.583 70.196 1.446 1.00 74.81 ? 1238 HOH A O 1 HETATM 2564 O O . HOH X 9 . ? 17.420 36.292 0.937 1.00 72.33 ? 1239 HOH A O 1 HETATM 2565 O O . HOH X 9 . ? 17.928 57.991 -4.826 1.00 76.77 ? 1240 HOH A O 1 HETATM 2566 O O . HOH X 9 . ? 19.091 46.874 -8.875 1.00 62.60 ? 1241 HOH A O 1 HETATM 2567 O O . HOH X 9 . ? 14.878 80.842 29.998 1.00 53.44 ? 1242 HOH A O 1 HETATM 2568 O O . HOH X 9 . ? 29.330 53.198 22.772 1.00 69.48 ? 1243 HOH A O 1 HETATM 2569 O O . HOH X 9 . ? -0.039 52.751 -0.141 0.50 58.26 ? 1244 HOH A O 1 HETATM 2570 O O . HOH X 9 . ? -1.364 51.565 1.418 1.00 61.08 ? 1245 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 THR 1 1 1 THR THR A . n A 1 2 SER 2 2 2 SER SER A . n A 1 3 PHE 3 3 3 PHE PHE A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 ASN 6 6 6 ASN ASN A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 GLY 9 9 9 GLY GLY A . n A 1 10 ARG 10 10 10 ARG ARG A . n A 1 11 ASP 11 11 11 ASP ASP A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 CYS 14 14 14 CYS CYS A . n A 1 15 VAL 15 15 15 VAL VAL A . n A 1 16 ASP 16 16 16 ASP ASP A . n A 1 17 VAL 17 17 17 VAL VAL A . n A 1 18 ARG 18 18 18 ARG ARG A . n A 1 19 ASN 19 19 19 ASN ASN A . n A 1 20 GLY 20 20 20 GLY GLY A . n A 1 21 TYR 21 21 21 TYR TYR A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 THR 23 23 23 THR THR A . n A 1 24 ASP 24 24 24 ASP ASP A . n A 1 25 GLY 25 25 25 GLY GLY A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 PRO 27 27 27 PRO PRO A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 GLN 29 29 29 GLN GLN A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 PRO 32 32 32 PRO PRO A . n A 1 33 CYS 33 33 33 CYS CYS A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 ARG 37 37 37 ARG ARG A . n A 1 38 ASN 38 38 38 ASN ASN A . n A 1 39 GLN 39 39 39 GLN GLN A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 TRP 41 41 41 TRP TRP A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 PHE 43 43 43 PHE PHE A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 SER 45 45 45 SER SER A . n A 1 46 ASP 46 46 46 ASP ASP A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 THR 48 48 48 THR THR A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 MET 52 52 52 MET MET A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 LYS 54 54 54 LYS LYS A . n A 1 55 CYS 55 55 55 CYS CYS A . n A 1 56 MET 56 56 56 MET MET A . n A 1 57 THR 57 57 57 THR THR A . n A 1 58 ALA 58 58 58 ALA ALA A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 LEU 61 61 61 LEU LEU A . n A 1 62 ASN 62 62 62 ASN ASN A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 SER 65 65 65 SER SER A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 ILE 69 69 69 ILE ILE A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 ASN 71 71 71 ASN ASN A . n A 1 72 CYS 72 72 72 CYS CYS A . n A 1 73 SER 73 73 73 SER SER A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 ASN 78 78 78 ASN ASN A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 ILE 80 80 80 ILE ILE A . n A 1 81 LYS 81 81 81 LYS LYS A . n A 1 82 TRP 82 82 82 TRP TRP A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 VAL 84 84 84 VAL VAL A . n A 1 85 PRO 85 85 85 PRO PRO A . n A 1 86 ILE 86 86 86 ILE ILE A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 ILE 90 90 90 ILE ILE A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 ASN 92 92 92 ASN ASN A . n A 1 93 PRO 93 93 93 PRO PRO A . n A 1 94 SER 94 94 94 SER SER A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 VAL 98 98 98 VAL VAL A . n A 1 99 MET 99 99 99 MET MET A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 ALA 101 101 101 ALA ALA A . n A 1 102 PRO 102 102 102 PRO PRO A . n A 1 103 ARG 103 103 103 ARG ARG A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 SER 106 106 106 SER SER A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 ILE 109 109 109 ILE ILE A . n A 1 110 LEU 110 110 110 LEU LEU A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 ASP 114 114 114 ASP ASP A . n A 1 115 ASN 115 115 115 ASN ASN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 TYR 117 117 117 TYR TYR A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 TRP 123 123 123 TRP TRP A . n A 1 124 THR 124 124 124 THR THR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 THR 126 126 126 THR THR A . n A 1 127 ASN 127 127 127 ASN ASN A . n A 1 128 ASN 128 128 128 ASN ASN A . n A 1 129 VAL 129 129 129 VAL VAL A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 PRO 131 131 131 PRO PRO A . n A 1 132 ILE 132 132 132 ILE ILE A . n A 1 133 VAL 133 133 133 VAL VAL A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 SER 135 135 135 SER SER A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 VAL 137 137 137 VAL VAL A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 TYR 139 139 139 TYR TYR A . n A 1 140 LYS 140 140 140 LYS LYS A . n A 1 141 GLU 141 141 141 GLU GLU A . n A 1 142 MET 142 142 142 MET MET A . n A 1 143 CYS 143 143 143 CYS CYS A . n A 1 144 LEU 144 144 144 LEU LEU A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 SER 146 146 146 SER SER A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 GLY 148 148 148 GLY GLY A . n A 1 149 GLU 149 149 149 GLU GLU A . n A 1 150 ASN 150 150 150 ASN ASN A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 TRP 154 154 154 TRP TRP A . n A 1 155 MET 155 155 155 MET MET A . n A 1 156 GLU 156 156 156 GLU GLU A . n A 1 157 ASP 157 157 157 ASP ASP A . n A 1 158 CYS 158 158 158 CYS CYS A . n A 1 159 GLU 159 159 159 GLU GLU A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 THR 161 161 161 THR THR A . n A 1 162 SER 162 162 162 SER SER A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 GLN 164 164 164 GLN GLN A . n A 1 165 GLN 165 165 165 GLN GLN A . n A 1 166 GLN 166 166 166 GLN GLN A . n A 1 167 TRP 167 167 167 TRP TRP A . n A 1 168 ALA 168 168 168 ALA ALA A . n A 1 169 LEU 169 169 169 LEU LEU A . n A 1 170 TYR 170 170 170 TYR TYR A . n A 1 171 GLY 171 171 171 GLY GLY A . n A 1 172 ASP 172 172 172 ASP ASP A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 THR 174 174 174 THR THR A . n A 1 175 ILE 175 175 175 ILE ILE A . n A 1 176 ARG 176 176 176 ARG ARG A . n A 1 177 VAL 177 177 177 VAL VAL A . n A 1 178 ASN 178 178 178 ASN ASN A . n A 1 179 SER 179 179 179 SER SER A . n A 1 180 THR 180 180 180 THR THR A . n A 1 181 ARG 181 181 181 ARG ARG A . n A 1 182 GLY 182 182 182 GLY GLY A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 CYS 184 184 184 CYS CYS A . n A 1 185 VAL 185 185 185 VAL VAL A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 THR 187 187 187 THR THR A . n A 1 188 ASN 188 188 188 ASN ASN A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 ASN 191 191 191 ASN ASN A . n A 1 192 SER 192 192 192 SER SER A . n A 1 193 LYS 193 193 193 LYS LYS A . n A 1 194 ASP 194 194 194 ASP ASP A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 ILE 196 196 196 ILE ILE A . n A 1 197 ILE 197 197 197 ILE ILE A . n A 1 198 ILE 198 198 198 ILE ILE A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 LYS 200 200 200 LYS LYS A . n A 1 201 CYS 201 201 201 CYS CYS A . n A 1 202 GLN 202 202 202 GLN GLN A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 LEU 204 204 204 LEU LEU A . n A 1 205 PRO 205 205 205 PRO PRO A . n A 1 206 SER 206 206 206 SER SER A . n A 1 207 GLN 207 207 207 GLN GLN A . n A 1 208 ARG 208 208 208 ARG ARG A . n A 1 209 TRP 209 209 209 TRP TRP A . n A 1 210 PHE 210 210 210 PHE PHE A . n A 1 211 PHE 211 211 211 PHE PHE A . n A 1 212 ASN 212 212 212 ASN ASN A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 ASP 214 214 214 ASP ASP A . n A 1 215 GLY 215 215 215 GLY GLY A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ILE 217 217 217 ILE ILE A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 ASN 219 219 219 ASN ASN A . n A 1 220 PRO 220 220 220 PRO PRO A . n A 1 221 LYS 221 221 221 LYS LYS A . n A 1 222 SER 222 222 222 SER SER A . n A 1 223 ARG 223 223 223 ARG ARG A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 VAL 225 225 225 VAL VAL A . n A 1 226 MET 226 226 226 MET MET A . n A 1 227 ASP 227 227 227 ASP ASP A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 ARG 229 229 229 ARG ARG A . n A 1 230 ALA 230 230 230 ALA ALA A . n A 1 231 SER 231 231 231 SER SER A . n A 1 232 ASN 232 232 232 ASN ASN A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 SER 234 234 234 SER SER A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ARG 236 236 236 ARG ARG A . n A 1 237 GLU 237 237 237 GLU GLU A . n A 1 238 ILE 238 238 238 ILE ILE A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 ILE 240 240 240 ILE ILE A . n A 1 241 PHE 241 241 241 PHE PHE A . n A 1 242 PRO 242 242 242 PRO PRO A . n A 1 243 ALA 243 243 243 ALA ALA A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 GLY 245 245 245 GLY GLY A . n A 1 246 ASN 246 246 246 ASN ASN A . n A 1 247 PRO 247 247 247 PRO PRO A . n A 1 248 ASN 248 248 248 ASN ASN A . n A 1 249 GLN 249 249 249 GLN GLN A . n A 1 250 GLN 250 250 250 GLN GLN A . n A 1 251 TRP 251 251 251 TRP TRP A . n A 1 252 VAL 252 252 252 VAL VAL A . n A 1 253 THR 253 253 253 THR THR A . n A 1 254 GLN 254 254 254 GLN GLN A . n A 1 255 VAL 255 255 255 VAL VAL A . n A 1 256 LEU 256 256 256 LEU LEU A . n A 1 257 PRO 257 257 257 PRO PRO A . n A 1 258 SER 258 258 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 258 1 NAG NAG A . C 2 NAG 2 259 2 NAG NAG A . D 3 BMA 3 260 3 BMA BMA A . E 4 MAN 4 261 4 MAN MAN A . F 5 FUC 5 262 5 FUC FUC A . G 4 MAN 6 263 6 MAN MAN A . H 6 XYP 7 264 7 XYP XYP A . I 2 NAG 1 265 11 NAG NAG A . J 5 FUC 2 266 15 FUC FUC A . K 2 NAG 1 267 21 NAG NAG A . L 2 NAG 2 268 22 NAG NAG A . M 2 NAG 1 269 31 NAG NAG A . N 2 NAG 2 270 32 NAG NAG A . O 5 FUC 3 271 35 FUC FUC A . P 7 SO4 1 901 901 SO4 SO4 A . Q 7 SO4 1 902 902 SO4 SO4 A . R 7 SO4 1 903 903 SO4 SO4 A . S 7 SO4 1 904 904 SO4 SO4 A . T 7 SO4 1 905 905 SO4 SO4 A . U 7 SO4 1 906 906 SO4 SO4 A . V 7 SO4 1 907 907 SO4 SO4 A . W 8 ACT 1 910 910 ACT ACT A . X 9 HOH 1 911 1 HOH HOH A . X 9 HOH 2 912 2 HOH HOH A . X 9 HOH 3 913 3 HOH HOH A . X 9 HOH 4 914 4 HOH HOH A . X 9 HOH 5 915 6 HOH HOH A . X 9 HOH 6 916 7 HOH HOH A . X 9 HOH 7 917 8 HOH HOH A . X 9 HOH 8 918 9 HOH HOH A . X 9 HOH 9 919 10 HOH HOH A . X 9 HOH 10 920 11 HOH HOH A . X 9 HOH 11 921 12 HOH HOH A . X 9 HOH 12 922 13 HOH HOH A . X 9 HOH 13 923 14 HOH HOH A . X 9 HOH 14 924 15 HOH HOH A . X 9 HOH 15 925 16 HOH HOH A . X 9 HOH 16 926 17 HOH HOH A . X 9 HOH 17 927 18 HOH HOH A . X 9 HOH 18 928 19 HOH HOH A . X 9 HOH 19 929 20 HOH HOH A . X 9 HOH 20 930 21 HOH HOH A . X 9 HOH 21 931 22 HOH HOH A . X 9 HOH 22 932 23 HOH HOH A . X 9 HOH 23 933 24 HOH HOH A . X 9 HOH 24 934 25 HOH HOH A . X 9 HOH 25 935 26 HOH HOH A . X 9 HOH 26 936 27 HOH HOH A . X 9 HOH 27 937 28 HOH HOH A . X 9 HOH 28 938 29 HOH HOH A . X 9 HOH 29 939 30 HOH HOH A . X 9 HOH 30 940 31 HOH HOH A . X 9 HOH 31 941 32 HOH HOH A . X 9 HOH 32 942 33 HOH HOH A . X 9 HOH 33 943 34 HOH HOH A . X 9 HOH 34 944 35 HOH HOH A . X 9 HOH 35 945 36 HOH HOH A . X 9 HOH 36 946 37 HOH HOH A . X 9 HOH 37 947 38 HOH HOH A . X 9 HOH 38 948 39 HOH HOH A . X 9 HOH 39 949 40 HOH HOH A . X 9 HOH 40 950 41 HOH HOH A . X 9 HOH 41 951 42 HOH HOH A . X 9 HOH 42 952 43 HOH HOH A . X 9 HOH 43 953 44 HOH HOH A . X 9 HOH 44 954 45 HOH HOH A . X 9 HOH 45 955 46 HOH HOH A . X 9 HOH 46 956 47 HOH HOH A . X 9 HOH 47 957 48 HOH HOH A . X 9 HOH 48 958 49 HOH HOH A . X 9 HOH 49 959 50 HOH HOH A . X 9 HOH 50 960 51 HOH HOH A . X 9 HOH 51 961 52 HOH HOH A . X 9 HOH 52 962 53 HOH HOH A . X 9 HOH 53 963 54 HOH HOH A . X 9 HOH 54 964 55 HOH HOH A . X 9 HOH 55 965 56 HOH HOH A . X 9 HOH 56 966 57 HOH HOH A . X 9 HOH 57 967 58 HOH HOH A . X 9 HOH 58 968 59 HOH HOH A . X 9 HOH 59 969 60 HOH HOH A . X 9 HOH 60 970 61 HOH HOH A . X 9 HOH 61 971 62 HOH HOH A . X 9 HOH 62 972 63 HOH HOH A . X 9 HOH 63 973 64 HOH HOH A . X 9 HOH 64 974 65 HOH HOH A . X 9 HOH 65 975 66 HOH HOH A . X 9 HOH 66 976 67 HOH HOH A . X 9 HOH 67 977 68 HOH HOH A . X 9 HOH 68 978 69 HOH HOH A . X 9 HOH 69 979 70 HOH HOH A . X 9 HOH 70 980 71 HOH HOH A . X 9 HOH 71 981 72 HOH HOH A . X 9 HOH 72 982 73 HOH HOH A . X 9 HOH 73 983 74 HOH HOH A . X 9 HOH 74 984 75 HOH HOH A . X 9 HOH 75 985 76 HOH HOH A . X 9 HOH 76 986 77 HOH HOH A . X 9 HOH 77 987 78 HOH HOH A . X 9 HOH 78 988 79 HOH HOH A . X 9 HOH 79 989 80 HOH HOH A . X 9 HOH 80 990 81 HOH HOH A . X 9 HOH 81 991 82 HOH HOH A . X 9 HOH 82 992 83 HOH HOH A . X 9 HOH 83 993 84 HOH HOH A . X 9 HOH 84 994 85 HOH HOH A . X 9 HOH 85 995 86 HOH HOH A . X 9 HOH 86 996 87 HOH HOH A . X 9 HOH 87 997 88 HOH HOH A . X 9 HOH 88 998 89 HOH HOH A . X 9 HOH 89 999 90 HOH HOH A . X 9 HOH 90 1000 91 HOH HOH A . X 9 HOH 91 1001 92 HOH HOH A . X 9 HOH 92 1002 93 HOH HOH A . X 9 HOH 93 1003 94 HOH HOH A . X 9 HOH 94 1004 95 HOH HOH A . X 9 HOH 95 1005 96 HOH HOH A . X 9 HOH 96 1006 97 HOH HOH A . X 9 HOH 97 1007 98 HOH HOH A . X 9 HOH 98 1008 99 HOH HOH A . X 9 HOH 99 1009 100 HOH HOH A . X 9 HOH 100 1010 101 HOH HOH A . X 9 HOH 101 1011 102 HOH HOH A . X 9 HOH 102 1012 103 HOH HOH A . X 9 HOH 103 1013 104 HOH HOH A . X 9 HOH 104 1014 105 HOH HOH A . X 9 HOH 105 1015 106 HOH HOH A . X 9 HOH 106 1016 107 HOH HOH A . X 9 HOH 107 1017 108 HOH HOH A . X 9 HOH 108 1018 109 HOH HOH A . X 9 HOH 109 1019 110 HOH HOH A . X 9 HOH 110 1020 111 HOH HOH A . X 9 HOH 111 1021 112 HOH HOH A . X 9 HOH 112 1022 113 HOH HOH A . X 9 HOH 113 1023 114 HOH HOH A . X 9 HOH 114 1024 115 HOH HOH A . X 9 HOH 115 1025 116 HOH HOH A . X 9 HOH 116 1026 117 HOH HOH A . X 9 HOH 117 1027 118 HOH HOH A . X 9 HOH 118 1028 119 HOH HOH A . X 9 HOH 119 1029 120 HOH HOH A . X 9 HOH 120 1030 121 HOH HOH A . X 9 HOH 121 1031 122 HOH HOH A . X 9 HOH 122 1032 123 HOH HOH A . X 9 HOH 123 1033 124 HOH HOH A . X 9 HOH 124 1034 125 HOH HOH A . X 9 HOH 125 1035 126 HOH HOH A . X 9 HOH 126 1036 127 HOH HOH A . X 9 HOH 127 1037 128 HOH HOH A . X 9 HOH 128 1038 129 HOH HOH A . X 9 HOH 129 1039 130 HOH HOH A . X 9 HOH 130 1040 131 HOH HOH A . X 9 HOH 131 1041 132 HOH HOH A . X 9 HOH 132 1042 133 HOH HOH A . X 9 HOH 133 1043 134 HOH HOH A . X 9 HOH 134 1044 135 HOH HOH A . X 9 HOH 135 1045 136 HOH HOH A . X 9 HOH 136 1046 137 HOH HOH A . X 9 HOH 137 1047 138 HOH HOH A . X 9 HOH 138 1048 139 HOH HOH A . X 9 HOH 139 1049 140 HOH HOH A . X 9 HOH 140 1050 141 HOH HOH A . X 9 HOH 141 1051 142 HOH HOH A . X 9 HOH 142 1052 143 HOH HOH A . X 9 HOH 143 1053 144 HOH HOH A . X 9 HOH 144 1054 145 HOH HOH A . X 9 HOH 145 1055 146 HOH HOH A . X 9 HOH 146 1056 147 HOH HOH A . X 9 HOH 147 1057 148 HOH HOH A . X 9 HOH 148 1058 150 HOH HOH A . X 9 HOH 149 1059 151 HOH HOH A . X 9 HOH 150 1060 152 HOH HOH A . X 9 HOH 151 1061 153 HOH HOH A . X 9 HOH 152 1062 154 HOH HOH A . X 9 HOH 153 1063 155 HOH HOH A . X 9 HOH 154 1064 156 HOH HOH A . X 9 HOH 155 1065 157 HOH HOH A . X 9 HOH 156 1066 158 HOH HOH A . X 9 HOH 157 1067 159 HOH HOH A . X 9 HOH 158 1068 160 HOH HOH A . X 9 HOH 159 1069 161 HOH HOH A . X 9 HOH 160 1070 162 HOH HOH A . X 9 HOH 161 1071 163 HOH HOH A . X 9 HOH 162 1072 164 HOH HOH A . X 9 HOH 163 1073 165 HOH HOH A . X 9 HOH 164 1074 166 HOH HOH A . X 9 HOH 165 1075 167 HOH HOH A . X 9 HOH 166 1076 168 HOH HOH A . X 9 HOH 167 1077 169 HOH HOH A . X 9 HOH 168 1078 170 HOH HOH A . X 9 HOH 169 1079 171 HOH HOH A . X 9 HOH 170 1080 172 HOH HOH A . X 9 HOH 171 1081 173 HOH HOH A . X 9 HOH 172 1082 174 HOH HOH A . X 9 HOH 173 1083 175 HOH HOH A . X 9 HOH 174 1084 176 HOH HOH A . X 9 HOH 175 1085 177 HOH HOH A . X 9 HOH 176 1086 178 HOH HOH A . X 9 HOH 177 1087 179 HOH HOH A . X 9 HOH 178 1088 180 HOH HOH A . X 9 HOH 179 1089 181 HOH HOH A . X 9 HOH 180 1090 182 HOH HOH A . X 9 HOH 181 1091 183 HOH HOH A . X 9 HOH 182 1092 184 HOH HOH A . X 9 HOH 183 1093 185 HOH HOH A . X 9 HOH 184 1094 186 HOH HOH A . X 9 HOH 185 1095 187 HOH HOH A . X 9 HOH 186 1096 188 HOH HOH A . X 9 HOH 187 1097 189 HOH HOH A . X 9 HOH 188 1098 190 HOH HOH A . X 9 HOH 189 1099 191 HOH HOH A . X 9 HOH 190 1100 192 HOH HOH A . X 9 HOH 191 1101 193 HOH HOH A . X 9 HOH 192 1102 194 HOH HOH A . X 9 HOH 193 1103 195 HOH HOH A . X 9 HOH 194 1104 196 HOH HOH A . X 9 HOH 195 1105 197 HOH HOH A . X 9 HOH 196 1106 198 HOH HOH A . X 9 HOH 197 1107 199 HOH HOH A . X 9 HOH 198 1108 200 HOH HOH A . X 9 HOH 199 1109 201 HOH HOH A . X 9 HOH 200 1110 202 HOH HOH A . X 9 HOH 201 1111 203 HOH HOH A . X 9 HOH 202 1112 204 HOH HOH A . X 9 HOH 203 1113 205 HOH HOH A . X 9 HOH 204 1114 206 HOH HOH A . X 9 HOH 205 1115 207 HOH HOH A . X 9 HOH 206 1116 208 HOH HOH A . X 9 HOH 207 1117 209 HOH HOH A . X 9 HOH 208 1118 210 HOH HOH A . X 9 HOH 209 1119 212 HOH HOH A . X 9 HOH 210 1120 213 HOH HOH A . X 9 HOH 211 1121 214 HOH HOH A . X 9 HOH 212 1122 215 HOH HOH A . X 9 HOH 213 1123 216 HOH HOH A . X 9 HOH 214 1124 217 HOH HOH A . X 9 HOH 215 1125 218 HOH HOH A . X 9 HOH 216 1126 219 HOH HOH A . X 9 HOH 217 1127 220 HOH HOH A . X 9 HOH 218 1128 221 HOH HOH A . X 9 HOH 219 1129 222 HOH HOH A . X 9 HOH 220 1130 223 HOH HOH A . X 9 HOH 221 1131 224 HOH HOH A . X 9 HOH 222 1132 225 HOH HOH A . X 9 HOH 223 1133 226 HOH HOH A . X 9 HOH 224 1134 227 HOH HOH A . X 9 HOH 225 1135 228 HOH HOH A . X 9 HOH 226 1136 229 HOH HOH A . X 9 HOH 227 1137 230 HOH HOH A . X 9 HOH 228 1138 231 HOH HOH A . X 9 HOH 229 1139 232 HOH HOH A . X 9 HOH 230 1140 233 HOH HOH A . X 9 HOH 231 1141 234 HOH HOH A . X 9 HOH 232 1142 235 HOH HOH A . X 9 HOH 233 1143 236 HOH HOH A . X 9 HOH 234 1144 237 HOH HOH A . X 9 HOH 235 1145 238 HOH HOH A . X 9 HOH 236 1146 239 HOH HOH A . X 9 HOH 237 1147 240 HOH HOH A . X 9 HOH 238 1148 241 HOH HOH A . X 9 HOH 239 1149 242 HOH HOH A . X 9 HOH 240 1150 243 HOH HOH A . X 9 HOH 241 1151 244 HOH HOH A . X 9 HOH 242 1152 245 HOH HOH A . X 9 HOH 243 1153 246 HOH HOH A . X 9 HOH 244 1154 247 HOH HOH A . X 9 HOH 245 1155 248 HOH HOH A . X 9 HOH 246 1156 249 HOH HOH A . X 9 HOH 247 1157 250 HOH HOH A . X 9 HOH 248 1158 251 HOH HOH A . X 9 HOH 249 1159 252 HOH HOH A . X 9 HOH 250 1160 253 HOH HOH A . X 9 HOH 251 1161 254 HOH HOH A . X 9 HOH 252 1162 255 HOH HOH A . X 9 HOH 253 1163 256 HOH HOH A . X 9 HOH 254 1164 257 HOH HOH A . X 9 HOH 255 1165 258 HOH HOH A . X 9 HOH 256 1166 259 HOH HOH A . X 9 HOH 257 1167 260 HOH HOH A . X 9 HOH 258 1168 261 HOH HOH A . X 9 HOH 259 1169 262 HOH HOH A . X 9 HOH 260 1170 263 HOH HOH A . X 9 HOH 261 1171 264 HOH HOH A . X 9 HOH 262 1172 265 HOH HOH A . X 9 HOH 263 1173 266 HOH HOH A . X 9 HOH 264 1174 267 HOH HOH A . X 9 HOH 265 1175 268 HOH HOH A . X 9 HOH 266 1176 269 HOH HOH A . X 9 HOH 267 1177 270 HOH HOH A . X 9 HOH 268 1178 271 HOH HOH A . X 9 HOH 269 1179 272 HOH HOH A . X 9 HOH 270 1180 273 HOH HOH A . X 9 HOH 271 1181 274 HOH HOH A . X 9 HOH 272 1182 275 HOH HOH A . X 9 HOH 273 1183 276 HOH HOH A . X 9 HOH 274 1184 278 HOH HOH A . X 9 HOH 275 1185 279 HOH HOH A . X 9 HOH 276 1186 280 HOH HOH A . X 9 HOH 277 1187 281 HOH HOH A . X 9 HOH 278 1188 282 HOH HOH A . X 9 HOH 279 1189 284 HOH HOH A . X 9 HOH 280 1190 285 HOH HOH A . X 9 HOH 281 1191 286 HOH HOH A . X 9 HOH 282 1192 287 HOH HOH A . X 9 HOH 283 1193 288 HOH HOH A . X 9 HOH 284 1194 289 HOH HOH A . X 9 HOH 285 1195 290 HOH HOH A . X 9 HOH 286 1196 291 HOH HOH A . X 9 HOH 287 1197 292 HOH HOH A . X 9 HOH 288 1198 293 HOH HOH A . X 9 HOH 289 1199 294 HOH HOH A . X 9 HOH 290 1200 295 HOH HOH A . X 9 HOH 291 1201 297 HOH HOH A . X 9 HOH 292 1202 298 HOH HOH A . X 9 HOH 293 1203 299 HOH HOH A . X 9 HOH 294 1204 300 HOH HOH A . X 9 HOH 295 1205 301 HOH HOH A . X 9 HOH 296 1206 302 HOH HOH A . X 9 HOH 297 1207 303 HOH HOH A . X 9 HOH 298 1208 304 HOH HOH A . X 9 HOH 299 1209 305 HOH HOH A . X 9 HOH 300 1210 306 HOH HOH A . X 9 HOH 301 1211 308 HOH HOH A . X 9 HOH 302 1212 309 HOH HOH A . X 9 HOH 303 1213 310 HOH HOH A . X 9 HOH 304 1214 311 HOH HOH A . X 9 HOH 305 1215 312 HOH HOH A . X 9 HOH 306 1216 313 HOH HOH A . X 9 HOH 307 1217 314 HOH HOH A . X 9 HOH 308 1218 315 HOH HOH A . X 9 HOH 309 1219 316 HOH HOH A . X 9 HOH 310 1220 317 HOH HOH A . X 9 HOH 311 1221 318 HOH HOH A . X 9 HOH 312 1222 319 HOH HOH A . X 9 HOH 313 1223 320 HOH HOH A . X 9 HOH 314 1224 321 HOH HOH A . X 9 HOH 315 1225 322 HOH HOH A . X 9 HOH 316 1226 323 HOH HOH A . X 9 HOH 317 1227 324 HOH HOH A . X 9 HOH 318 1228 325 HOH HOH A . X 9 HOH 319 1229 326 HOH HOH A . X 9 HOH 320 1230 327 HOH HOH A . X 9 HOH 321 1231 328 HOH HOH A . X 9 HOH 322 1232 329 HOH HOH A . X 9 HOH 323 1233 330 HOH HOH A . X 9 HOH 324 1234 331 HOH HOH A . X 9 HOH 325 1235 332 HOH HOH A . X 9 HOH 326 1236 333 HOH HOH A . X 9 HOH 327 1237 334 HOH HOH A . X 9 HOH 328 1238 335 HOH HOH A . X 9 HOH 329 1239 336 HOH HOH A . X 9 HOH 330 1240 337 HOH HOH A . X 9 HOH 331 1241 338 HOH HOH A . X 9 HOH 332 1242 339 HOH HOH A . X 9 HOH 333 1243 340 HOH HOH A . X 9 HOH 334 1244 341 HOH HOH A . X 9 HOH 335 1245 342 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 63 A ASN 63 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 71 A ASN 71 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 178 A ASN 178 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 232 A ASN 232 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X # _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_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 911 ? X HOH . 2 1 A HOH 912 ? X HOH . 3 1 A HOH 1244 ? X HOH . # 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 2008-11-25 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Advisory 2 2 'Structure model' 'Version format compliance' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.pdbx_refine_id 1 ? refined 6.4440 45.1509 11.1775 -0.2885 -0.1246 -0.1965 0.0133 -0.0268 0.0104 1.9133 1.1980 1.7421 0.5446 0.1744 0.2593 0.0244 -0.1053 -0.1334 0.1103 -0.0267 0.0309 0.1650 -0.0398 0.0023 'X-RAY DIFFRACTION' 2 ? refined 22.7805 67.6192 16.5410 -0.2241 -0.1487 -0.2036 0.0150 0.0053 0.0340 2.4262 1.6397 2.6493 -0.2415 0.1947 1.0588 -0.0341 0.0540 0.2397 -0.0018 0.0610 0.0192 -0.3039 0.1021 -0.0269 'X-RAY DIFFRACTION' # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 1 A 1 A 129 A 129 ? 'X-RAY DIFFRACTION' ? 2 2 A 130 A 130 A 257 A 257 ? 'X-RAY DIFFRACTION' ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 DNA 'data collection' . ? 2 MOSFLM 'data reduction' . ? 3 SCALA 'data scaling' . ? 4 MOLREP phasing . ? 5 # _pdbx_entry_details.entry_id 3CA0 _pdbx_entry_details.sequence_details ;AUTHORS STATE THAT THE ELECTRON DENSITY OF THE STRUCTURE INDICATES CLEARLY THAT THE AMINO ACID AT POSITION 224 IS A LEU AND NOT A HIS. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 ASN _pdbx_validate_rmsd_bond.auth_seq_id_1 128 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 ASN _pdbx_validate_rmsd_bond.auth_seq_id_2 128 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.645 _pdbx_validate_rmsd_bond.bond_target_value 1.506 _pdbx_validate_rmsd_bond.bond_deviation 0.139 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.023 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 87 ? ? CG A ASP 87 ? ? OD1 A ASP 87 ? ? 112.71 118.30 -5.59 0.90 N 2 1 CB A ASP 87 ? ? CG A ASP 87 ? ? OD2 A ASP 87 ? ? 124.60 118.30 6.30 0.90 N 3 1 NE A ARG 103 ? A CZ A ARG 103 ? A NH1 A ARG 103 ? A 116.26 120.30 -4.04 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ARG A 107 ? ? 79.87 -1.71 2 1 LYS A 193 ? ? 80.04 1.01 3 1 ARG A 223 ? ? 74.05 -4.13 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C2B ? A XYP 264 ? 'WRONG HAND' . 2 1 C3B ? A XYP 264 ? 'WRONG HAND' . 3 1 C4B ? A XYP 264 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 130 ? CD ? A LYS 130 CD 2 1 Y 1 A LYS 130 ? CE ? A LYS 130 CE 3 1 Y 1 A LYS 130 ? NZ ? A LYS 130 NZ 4 1 Y 1 A ILE 132 ? CD1 ? A ILE 132 CD1 5 1 N 1 A XYP 264 ? O4A ? B XYP 7 O4A # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id SER _pdbx_unobs_or_zero_occ_residues.auth_seq_id 258 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id SER _pdbx_unobs_or_zero_occ_residues.label_seq_id 258 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 ALPHA-L-FUCOSE FUC 6 BETA-D-XYLOPYRANOSE XYP 7 'SULFATE ION' SO4 8 'ACETATE ION' ACT 9 water HOH #