data_5FBD # _entry.id 5FBD # _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 5FBD WWPDB D_1000215727 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB '5FB9 contains the same protein with unoccupied active site' 5FB9 unspecified PDB '5FBA contains the same protein in complex with phosphate' 5FBA unspecified PDB ;5FBB contains the same protein in complex with phosphate and adenosine 5'-monophosphate ; 5FBB unspecified PDB ;5FBC contains the same protein in complex with 2'-deoxyadenosine-5'-thio-monophosphate (5'dAMP(S)) ; 5FBC unspecified PDB ;5FBF CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH TWO MOLECULES OF 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE ; 5FBF unspecified PDB ;5FBG CONTAINS THE D65N MUTANT OF THE SAME PROTEIN IN COMPLEX WITH PHOSPHATE, 2'-DEOXYCYTIDINE AND 2'-DEOXY-GUANOSINE ; 5FBG unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5FBD _pdbx_database_status.recvd_initial_deposition_date 2015-12-14 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Koval, T.' 1 'Oestergaard, L.H.' 2 'Dohnalek, J.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'PLoS ONE' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1932-6203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 11 _citation.language ? _citation.page_first e0168832 _citation.page_last e0168832 _citation.title ;Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1371/journal.pone.0168832 _citation.pdbx_database_id_PubMed 28036383 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Koval, T.' 1 primary 'stergaard, L.H.' 2 primary 'Lehmbeck, J.' 3 primary 'Nrgaard, A.' 4 primary 'Lipovova, P.' 5 primary 'Duskova, J.' 6 primary 'Skalova, T.' 7 primary 'Trundova, M.' 8 primary 'Kolenko, P.' 9 primary 'Fejfarova, K.' 10 primary 'Stransky, J.' 11 primary 'Svecova, L.' 12 primary 'Hasek, J.' 13 primary 'Dohnalek, J.' 14 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5FBD _cell.details ? _cell.formula_units_Z ? _cell.length_a 43.040 _cell.length_a_esd ? _cell.length_b 62.426 _cell.length_b_esd ? _cell.length_c 84.118 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5FBD _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Nuclease S1' 29083.660 1 3.1.30.1 ? ? 'Mature protein without signal sequence.' 2 non-polymer syn 'ZINC ION' 65.409 3 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 4 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? ? ? ? 5 non-polymer syn "2'-DEOXYCYTIDINE" 227.217 1 ? ? ? ? 6 water nat water 18.015 377 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Deoxyribonuclease S1,Endonuclease S1,Single-stranded-nucleate endonuclease' # _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 ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _entity_poly.pdbx_seq_one_letter_code_can ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _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 TRP n 1 2 GLY n 1 3 ASN n 1 4 LEU n 1 5 GLY n 1 6 HIS n 1 7 GLU n 1 8 THR n 1 9 VAL n 1 10 ALA n 1 11 TYR n 1 12 ILE n 1 13 ALA n 1 14 GLN n 1 15 SER n 1 16 PHE n 1 17 VAL n 1 18 ALA n 1 19 SER n 1 20 SER n 1 21 THR n 1 22 GLU n 1 23 SER n 1 24 PHE n 1 25 CYS n 1 26 GLN n 1 27 ASN n 1 28 ILE n 1 29 LEU n 1 30 GLY n 1 31 ASP n 1 32 ASP n 1 33 SER n 1 34 THR n 1 35 SER n 1 36 TYR n 1 37 LEU n 1 38 ALA n 1 39 ASN n 1 40 VAL n 1 41 ALA n 1 42 THR n 1 43 TRP n 1 44 ALA n 1 45 ASP n 1 46 THR n 1 47 TYR n 1 48 LYS n 1 49 TYR n 1 50 THR n 1 51 ASP n 1 52 ALA n 1 53 GLY n 1 54 GLU n 1 55 PHE n 1 56 SER n 1 57 LYS n 1 58 PRO n 1 59 TYR n 1 60 HIS n 1 61 PHE n 1 62 ILE n 1 63 ASP n 1 64 ALA n 1 65 GLN n 1 66 ASP n 1 67 ASN n 1 68 PRO n 1 69 PRO n 1 70 GLN n 1 71 SER n 1 72 CYS n 1 73 GLY n 1 74 VAL n 1 75 ASP n 1 76 TYR n 1 77 ASP n 1 78 ARG n 1 79 ASP n 1 80 CYS n 1 81 GLY n 1 82 SER n 1 83 ALA n 1 84 GLY n 1 85 CYS n 1 86 SER n 1 87 ILE n 1 88 SER n 1 89 ALA n 1 90 ILE n 1 91 GLN n 1 92 ASN n 1 93 TYR n 1 94 THR n 1 95 ASN n 1 96 ILE n 1 97 LEU n 1 98 LEU n 1 99 GLU n 1 100 SER n 1 101 PRO n 1 102 ASN n 1 103 GLY n 1 104 SER n 1 105 GLU n 1 106 ALA n 1 107 LEU n 1 108 ASN n 1 109 ALA n 1 110 LEU n 1 111 LYS n 1 112 PHE n 1 113 VAL n 1 114 VAL n 1 115 HIS n 1 116 ILE n 1 117 ILE n 1 118 GLY n 1 119 ASP n 1 120 ILE n 1 121 HIS n 1 122 GLN n 1 123 PRO n 1 124 LEU n 1 125 HIS n 1 126 ASP n 1 127 GLU n 1 128 ASN n 1 129 LEU n 1 130 GLU n 1 131 ALA n 1 132 GLY n 1 133 GLY n 1 134 ASN n 1 135 GLY n 1 136 ILE n 1 137 ASP n 1 138 VAL n 1 139 THR n 1 140 TYR n 1 141 ASP n 1 142 GLY n 1 143 GLU n 1 144 THR n 1 145 THR n 1 146 ASN n 1 147 LEU n 1 148 HIS n 1 149 HIS n 1 150 ILE n 1 151 TRP n 1 152 ASP n 1 153 THR n 1 154 ASN n 1 155 MET n 1 156 PRO n 1 157 GLU n 1 158 GLU n 1 159 ALA n 1 160 ALA n 1 161 GLY n 1 162 GLY n 1 163 TYR n 1 164 SER n 1 165 LEU n 1 166 SER n 1 167 VAL n 1 168 ALA n 1 169 LYS n 1 170 THR n 1 171 TYR n 1 172 ALA n 1 173 ASP n 1 174 LEU n 1 175 LEU n 1 176 THR n 1 177 GLU n 1 178 ARG n 1 179 ILE n 1 180 LYS n 1 181 THR n 1 182 GLY n 1 183 THR n 1 184 TYR n 1 185 SER n 1 186 SER n 1 187 LYS n 1 188 LYS n 1 189 ASP n 1 190 SER n 1 191 TRP n 1 192 THR n 1 193 ASP n 1 194 GLY n 1 195 ILE n 1 196 ASP n 1 197 ILE n 1 198 LYS n 1 199 ASP n 1 200 PRO n 1 201 VAL n 1 202 SER n 1 203 THR n 1 204 SER n 1 205 MET n 1 206 ILE n 1 207 TRP n 1 208 ALA n 1 209 ALA n 1 210 ASP n 1 211 ALA n 1 212 ASN n 1 213 THR n 1 214 TYR n 1 215 VAL n 1 216 CYS n 1 217 SER n 1 218 THR n 1 219 VAL n 1 220 LEU n 1 221 ASP n 1 222 ASP n 1 223 GLY n 1 224 LEU n 1 225 ALA n 1 226 TYR n 1 227 ILE n 1 228 ASN n 1 229 SER n 1 230 THR n 1 231 ASP n 1 232 LEU n 1 233 SER n 1 234 GLY n 1 235 GLU n 1 236 TYR n 1 237 TYR n 1 238 ASP n 1 239 LYS n 1 240 SER n 1 241 GLN n 1 242 PRO n 1 243 VAL n 1 244 PHE n 1 245 GLU n 1 246 GLU n 1 247 LEU n 1 248 ILE n 1 249 ALA n 1 250 LYS n 1 251 ALA n 1 252 GLY n 1 253 TYR n 1 254 ARG n 1 255 LEU n 1 256 ALA n 1 257 ALA n 1 258 TRP n 1 259 LEU n 1 260 ASP n 1 261 LEU n 1 262 ILE n 1 263 ALA n 1 264 SER n 1 265 GLN n 1 266 PRO n 1 267 SER n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 267 _entity_src_gen.gene_src_common_name 'Yellow koji mold' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'nucS, AO090001000075' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Aspergillus oryzae RIB40' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 510516 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Aspergillus oryzae' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5062 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NUS1_ASPOR _struct_ref.pdbx_db_accession P24021 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _struct_ref.pdbx_align_begin 21 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5FBD _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 267 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24021 _struct_ref_seq.db_align_beg 21 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 287 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 21 _struct_ref_seq.pdbx_auth_seq_align_end 287 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DCZ non-polymer . "2'-DEOXYCYTIDINE" ? 'C9 H13 N3 O4' 227.217 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5FBD _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 1.95 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 36.9 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 3.8 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details stable _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1 M Citric acid pH 3.8, 25% w/v Polyethylene glycol 3,350' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 120 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'AGILENT ATLAS CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-10-13 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54056 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source 'SEALED TUBE' _diffrn_source.target ? _diffrn_source.type 'OXFORD DIFFRACTION ENHANCE ULTRA' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.54056 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_synchrotron_site ? # _reflns.B_iso_Wilson_estimate 5.1 _reflns.entry_id 5FBD _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.75 _reflns.d_resolution_low 30.08 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 22221 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 95.2 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.7 _reflns.pdbx_Rmerge_I_obs 0.061 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 13.6 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.75 _reflns_shell.d_res_low 1.78 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 72.2 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.376 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.2 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] 0.56 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][2] -0.84 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] 0.28 _refine.B_iso_max ? _refine.B_iso_mean 11.744 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.963 _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5FBD _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.75 _refine.ls_d_res_low 30.08 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 22191 _refine.ls_number_reflns_R_free 1138 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 94.27 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.15288 _refine.ls_R_factor_R_free 0.21159 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.15150 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 'our previous model of S1' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details 'Random selection' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.124 _refine.pdbx_overall_ESU_R_Free ? _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_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 2.212 _refine.overall_SU_ML 0.068 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 2049 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 38 _refine_hist.number_atoms_solvent 377 _refine_hist.number_atoms_total 2464 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 30.08 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.017 0.019 2190 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.006 0.020 1921 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.706 1.940 2996 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.100 3.000 4467 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.690 5.000 266 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 38.507 26.132 106 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 13.175 15.000 338 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 12.895 15.000 3 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.119 0.200 338 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.009 0.020 2529 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 476 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? '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 ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? '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' ? 0.880 1.018 1067 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 0.873 1.015 1066 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.361 1.522 1332 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.363 1.525 1333 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.318 1.149 1123 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.317 1.150 1124 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 1.990 1.681 1665 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.753 9.916 3003 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.298 9.113 2810 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.750 _refine_ls_shell.d_res_low 1.795 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 59 _refine_ls_shell.number_reflns_R_work 1203 _refine_ls_shell.percent_reflns_obs 73.63 _refine_ls_shell.percent_reflns_R_free 4.7 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.281 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.214 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used ? _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5FBD _struct.title ;S1 nuclease from Aspergillus oryzae in complex with phosphate and 2'-deoxycytidine ; _struct.pdbx_descriptor 'Nuclease S1 (E.C.3.1.30.1)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5FBD _struct_keywords.text 'Endonuclease, Zinc dependent, Complex, hydrolase' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 5 ? H N N 6 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLY A 2 ? VAL A 17 ? GLY A 22 VAL A 37 1 ? 16 HELX_P HELX_P2 AA2 ALA A 18 ? GLY A 30 ? ALA A 38 GLY A 50 1 ? 13 HELX_P HELX_P3 AA3 SER A 35 ? ALA A 41 ? SER A 55 ALA A 61 1 ? 7 HELX_P HELX_P4 AA4 THR A 42 ? LYS A 48 ? THR A 62 LYS A 68 1 ? 7 HELX_P HELX_P5 AA5 GLY A 53 ? PHE A 61 ? GLY A 73 PHE A 81 5 ? 9 HELX_P HELX_P6 AA6 ASP A 75 ? CYS A 80 ? ASP A 95 CYS A 100 1 ? 6 HELX_P HELX_P7 AA7 CYS A 85 ? SER A 100 ? CYS A 105 SER A 120 1 ? 16 HELX_P HELX_P8 AA8 GLU A 105 ? HIS A 121 ? GLU A 125 HIS A 141 1 ? 17 HELX_P HELX_P9 AA9 GLN A 122 ? GLU A 127 ? GLN A 142 GLU A 147 5 ? 6 HELX_P HELX_P10 AB1 ASN A 128 ? ASN A 134 ? ASN A 148 ASN A 154 1 ? 7 HELX_P HELX_P11 AB2 LEU A 147 ? THR A 153 ? LEU A 167 THR A 173 1 ? 7 HELX_P HELX_P12 AB3 THR A 153 ? GLY A 161 ? THR A 173 GLY A 181 1 ? 9 HELX_P HELX_P13 AB4 SER A 164 ? THR A 181 ? SER A 184 THR A 201 1 ? 18 HELX_P HELX_P14 AB5 LYS A 188 ? ASP A 193 ? LYS A 208 ASP A 213 5 ? 6 HELX_P HELX_P15 AB6 ASP A 199 ? THR A 218 ? ASP A 219 THR A 238 1 ? 20 HELX_P HELX_P16 AB7 GLY A 223 ? THR A 230 ? GLY A 243 THR A 250 1 ? 8 HELX_P HELX_P17 AB8 GLY A 234 ? SER A 264 ? GLY A 254 SER A 284 1 ? 31 # _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 72 SG ? ? ? 1_555 A CYS 216 SG ? ? A CYS 92 A CYS 236 1_555 ? ? ? ? ? ? ? 2.089 ? disulf2 disulf ? ? A CYS 80 SG ? ? ? 1_555 A CYS 85 SG ? ? A CYS 100 A CYS 105 1_555 ? ? ? ? ? ? ? 1.997 ? metalc1 metalc ? ? A TRP 1 N ? ? ? 1_555 B ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.055 ? metalc2 metalc ? ? A TRP 1 O ? ? ? 1_555 B ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.183 ? metalc3 metalc ? ? A HIS 6 NE2 ? ? ? 1_555 B ZN . ZN ? ? A HIS 26 A ZN 401 1_555 ? ? ? ? ? ? ? 2.070 ? metalc4 metalc ? ? A ASP 45 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 65 A ZN 402 1_555 ? ? ? ? ? ? ? 2.336 ? metalc5 metalc ? ? A HIS 60 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 80 A ZN 402 1_555 ? ? ? ? ? ? ? 1.998 ? covale1 covale one ? A ASN 92 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 112 A NAG 501 1_555 ? ? ? ? ? ? ? 1.450 ? metalc6 metalc ? ? A HIS 115 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 135 A ZN 402 1_555 ? ? ? ? ? ? ? 2.154 ? metalc7 metalc ? ? A ASP 119 OD1 ? ? ? 1_555 B ZN . ZN ? ? A ASP 139 A ZN 401 1_555 ? ? ? ? ? ? ? 2.093 ? metalc8 metalc ? ? A ASP 119 OD2 ? ? ? 1_555 C ZN . ZN ? ? A ASP 139 A ZN 402 1_555 ? ? ? ? ? ? ? 2.046 ? metalc9 metalc ? ? A HIS 125 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 145 A ZN 403 1_555 ? ? ? ? ? ? ? 2.065 ? metalc10 metalc ? ? A HIS 148 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 168 A ZN 403 1_555 ? ? ? ? ? ? ? 2.083 ? metalc11 metalc ? ? A ASP 152 OD2 ? ? ? 1_555 D ZN . ZN ? ? A ASP 172 A ZN 403 1_555 ? ? ? ? ? ? ? 2.049 ? metalc12 metalc ? ? B ZN . ZN ? ? ? 1_555 F PO4 . O1 ? ? A ZN 401 A PO4 601 1_555 ? ? ? ? ? ? ? 1.951 ? metalc13 metalc ? ? C ZN . ZN ? ? ? 1_555 F PO4 . O2 ? ? A ZN 402 A PO4 601 1_555 ? ? ? ? ? ? ? 2.000 ? metalc14 metalc ? ? D ZN . ZN ? ? ? 1_555 F PO4 . O3 ? ? A ZN 403 A PO4 601 1_555 ? ? ? ? ? ? ? 1.910 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id PRO _struct_mon_prot_cis.label_seq_id 68 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id PRO _struct_mon_prot_cis.auth_seq_id 88 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 69 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 89 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 3.12 # _struct_sheet.id AA1 _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id AA1 _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ASP A 137 ? TYR A 140 ? ASP A 157 TYR A 160 AA1 2 GLU A 143 ? ASN A 146 ? GLU A 163 ASN A 166 # _pdbx_struct_sheet_hbond.sheet_id AA1 _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id N _pdbx_struct_sheet_hbond.range_1_label_comp_id VAL _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 138 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id N _pdbx_struct_sheet_hbond.range_1_auth_comp_id VAL _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 158 _pdbx_struct_sheet_hbond.range_2_label_atom_id O _pdbx_struct_sheet_hbond.range_2_label_comp_id THR _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 145 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id O _pdbx_struct_sheet_hbond.range_2_auth_comp_id THR _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 165 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 401 ? 5 'binding site for residue ZN A 401' AC2 Software A ZN 402 ? 6 'binding site for residue ZN A 402' AC3 Software A ZN 403 ? 4 'binding site for residue ZN A 403' AC4 Software A PO4 601 ? 14 'binding site for residue PO4 A 601' AC5 Software A DCZ 701 ? 11 'binding site for residue DCZ A 701' AC6 Software A NAG 501 ? 7 'binding site for Mono-Saccharide NAG A 501 bound to ASN A 112' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 TRP A 1 ? TRP A 21 . ? 1_555 ? 2 AC1 5 HIS A 6 ? HIS A 26 . ? 1_555 ? 3 AC1 5 ASP A 119 ? ASP A 139 . ? 1_555 ? 4 AC1 5 ZN C . ? ZN A 402 . ? 1_555 ? 5 AC1 5 PO4 F . ? PO4 A 601 . ? 1_555 ? 6 AC2 6 ASP A 45 ? ASP A 65 . ? 1_555 ? 7 AC2 6 HIS A 60 ? HIS A 80 . ? 1_555 ? 8 AC2 6 HIS A 115 ? HIS A 135 . ? 1_555 ? 9 AC2 6 ASP A 119 ? ASP A 139 . ? 1_555 ? 10 AC2 6 ZN B . ? ZN A 401 . ? 1_555 ? 11 AC2 6 PO4 F . ? PO4 A 601 . ? 1_555 ? 12 AC3 4 HIS A 125 ? HIS A 145 . ? 1_555 ? 13 AC3 4 HIS A 148 ? HIS A 168 . ? 1_555 ? 14 AC3 4 ASP A 152 ? ASP A 172 . ? 1_555 ? 15 AC3 4 PO4 F . ? PO4 A 601 . ? 1_555 ? 16 AC4 14 TRP A 1 ? TRP A 21 . ? 1_555 ? 17 AC4 14 ASP A 45 ? ASP A 65 . ? 1_555 ? 18 AC4 14 LYS A 48 ? LYS A 68 . ? 1_555 ? 19 AC4 14 HIS A 60 ? HIS A 80 . ? 1_555 ? 20 AC4 14 ASP A 119 ? ASP A 139 . ? 1_555 ? 21 AC4 14 HIS A 125 ? HIS A 145 . ? 1_555 ? 22 AC4 14 HIS A 148 ? HIS A 168 . ? 1_555 ? 23 AC4 14 ASP A 152 ? ASP A 172 . ? 1_555 ? 24 AC4 14 ZN B . ? ZN A 401 . ? 1_555 ? 25 AC4 14 ZN C . ? ZN A 402 . ? 1_555 ? 26 AC4 14 ZN D . ? ZN A 403 . ? 1_555 ? 27 AC4 14 DCZ G . ? DCZ A 701 . ? 1_555 ? 28 AC4 14 HOH H . ? HOH A 1002 . ? 1_555 ? 29 AC4 14 HOH H . ? HOH A 1274 . ? 1_555 ? 30 AC5 11 LYS A 48 ? LYS A 68 . ? 1_555 ? 31 AC5 11 TYR A 49 ? TYR A 69 . ? 1_555 ? 32 AC5 11 PHE A 61 ? PHE A 81 . ? 1_555 ? 33 AC5 11 ASP A 63 ? ASP A 83 . ? 1_555 ? 34 AC5 11 HIS A 125 ? HIS A 145 . ? 1_555 ? 35 AC5 11 ALA A 131 ? ALA A 151 . ? 1_555 ? 36 AC5 11 ASN A 134 ? ASN A 154 . ? 1_555 ? 37 AC5 11 HIS A 148 ? HIS A 168 . ? 1_555 ? 38 AC5 11 PO4 F . ? PO4 A 601 . ? 1_555 ? 39 AC5 11 HOH H . ? HOH A 805 . ? 1_555 ? 40 AC5 11 HOH H . ? HOH A 1143 . ? 1_555 ? 41 AC6 7 PHE A 55 ? PHE A 75 . ? 1_555 ? 42 AC6 7 TYR A 59 ? TYR A 79 . ? 1_555 ? 43 AC6 7 ASN A 92 ? ASN A 112 . ? 1_555 ? 44 AC6 7 TYR A 93 ? TYR A 113 . ? 1_555 ? 45 AC6 7 HOH H . ? HOH A 1019 . ? 1_555 ? 46 AC6 7 HOH H . ? HOH A 1027 . ? 1_555 ? 47 AC6 7 HOH H . ? HOH A 1178 . ? 1_555 ? # _atom_sites.entry_id 5FBD _atom_sites.fract_transf_matrix[1][1] 0.023234 _atom_sites.fract_transf_matrix[1][2] 0.000000 _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] 0.016019 _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] 0.011888 _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 P S ZN # 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 . TRP A 1 1 ? 5.357 11.040 21.561 1.00 7.00 ? 21 TRP A N 1 ATOM 2 C CA . TRP A 1 1 ? 6.554 11.757 21.148 1.00 6.78 ? 21 TRP A CA 1 ATOM 3 C C . TRP A 1 1 ? 6.166 13.214 21.101 1.00 6.69 ? 21 TRP A C 1 ATOM 4 O O . TRP A 1 1 ? 4.996 13.531 20.965 1.00 6.59 ? 21 TRP A O 1 ATOM 5 C CB . TRP A 1 1 ? 7.060 11.332 19.768 1.00 6.72 ? 21 TRP A CB 1 ATOM 6 C CG . TRP A 1 1 ? 7.300 9.858 19.661 1.00 6.84 ? 21 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 1 ? 6.490 8.962 19.061 1.00 6.44 ? 21 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 1 ? 8.370 9.117 20.257 1.00 6.75 ? 21 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 1 ? 7.026 7.703 19.167 1.00 6.60 ? 21 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 1 ? 8.187 7.774 19.889 1.00 6.91 ? 21 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 1 ? 9.504 9.476 21.024 1.00 7.00 ? 21 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 1 ? 9.034 6.749 20.331 1.00 6.87 ? 21 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 1 ? 10.365 8.496 21.422 1.00 6.98 ? 21 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 1 ? 10.140 7.109 21.046 1.00 6.93 ? 21 TRP A CH2 1 ATOM 15 N N . GLY A 1 2 ? 7.168 14.064 21.122 1.00 6.72 ? 22 GLY A N 1 ATOM 16 C CA . GLY A 1 2 ? 7.025 15.470 20.755 1.00 6.53 ? 22 GLY A CA 1 ATOM 17 C C . GLY A 1 2 ? 6.915 15.552 19.265 1.00 7.14 ? 22 GLY A C 1 ATOM 18 O O . GLY A 1 2 ? 6.898 14.533 18.528 1.00 6.24 ? 22 GLY A O 1 ATOM 19 N N . ASN A 1 3 ? 6.840 16.783 18.797 1.00 7.43 ? 23 ASN A N 1 ATOM 20 C CA . ASN A 1 3 ? 6.549 17.040 17.406 1.00 8.22 ? 23 ASN A CA 1 ATOM 21 C C . ASN A 1 3 ? 7.566 16.391 16.508 1.00 8.19 ? 23 ASN A C 1 ATOM 22 O O . ASN A 1 3 ? 7.195 15.781 15.522 1.00 8.60 ? 23 ASN A O 1 ATOM 23 C CB . ASN A 1 3 ? 6.460 18.536 17.124 1.00 8.72 ? 23 ASN A CB 1 ATOM 24 C CG . ASN A 1 3 ? 5.248 19.196 17.744 1.00 9.54 ? 23 ASN A CG 1 ATOM 25 O OD1 . ASN A 1 3 ? 4.284 18.570 18.163 1.00 10.37 ? 23 ASN A OD1 1 ATOM 26 N ND2 . ASN A 1 3 ? 5.296 20.516 17.802 1.00 11.69 ? 23 ASN A ND2 1 ATOM 27 N N . LEU A 1 4 ? 8.840 16.527 16.845 1.00 8.70 ? 24 LEU A N 1 ATOM 28 C CA . LEU A 1 4 ? 9.939 15.974 16.055 1.00 8.68 ? 24 LEU A CA 1 ATOM 29 C C . LEU A 1 4 ? 9.727 14.452 15.841 1.00 8.03 ? 24 LEU A C 1 ATOM 30 O O . LEU A 1 4 ? 9.767 13.958 14.692 1.00 7.57 ? 24 LEU A O 1 ATOM 31 C CB . LEU A 1 4 ? 11.268 16.296 16.738 1.00 9.74 ? 24 LEU A CB 1 ATOM 32 C CG . LEU A 1 4 ? 12.610 15.825 16.185 1.00 10.75 ? 24 LEU A CG 1 ATOM 33 C CD1 . LEU A 1 4 ? 12.903 14.383 16.506 1.00 11.01 ? 24 LEU A CD1 1 ATOM 34 C CD2 . LEU A 1 4 ? 12.686 16.134 14.706 1.00 11.86 ? 24 LEU A CD2 1 ATOM 35 N N . GLY A 1 5 ? 9.488 13.727 16.923 1.00 7.04 ? 25 GLY A N 1 ATOM 36 C CA . GLY A 1 5 ? 9.291 12.302 16.797 1.00 6.84 ? 25 GLY A CA 1 ATOM 37 C C . GLY A 1 5 ? 8.124 11.922 15.942 1.00 6.69 ? 25 GLY A C 1 ATOM 38 O O . GLY A 1 5 ? 8.233 10.982 15.143 1.00 7.15 ? 25 GLY A O 1 ATOM 39 N N . HIS A 1 6 ? 7.002 12.629 16.062 1.00 6.53 ? 26 HIS A N 1 ATOM 40 C CA . HIS A 1 6 ? 5.833 12.323 15.235 1.00 6.17 ? 26 HIS A CA 1 ATOM 41 C C . HIS A 1 6 ? 6.088 12.551 13.760 1.00 6.52 ? 26 HIS A C 1 ATOM 42 O O . HIS A 1 6 ? 5.604 11.781 12.904 1.00 6.11 ? 26 HIS A O 1 ATOM 43 C CB . HIS A 1 6 ? 4.616 13.143 15.678 1.00 5.97 ? 26 HIS A CB 1 ATOM 44 C CG . HIS A 1 6 ? 4.006 12.604 16.934 1.00 5.77 ? 26 HIS A CG 1 ATOM 45 N ND1 . HIS A 1 6 ? 3.335 11.396 16.951 1.00 5.77 ? 26 HIS A ND1 1 ATOM 46 C CD2 . HIS A 1 6 ? 4.050 13.036 18.218 1.00 5.63 ? 26 HIS A CD2 1 ATOM 47 C CE1 . HIS A 1 6 ? 2.975 11.113 18.198 1.00 5.59 ? 26 HIS A CE1 1 ATOM 48 N NE2 . HIS A 1 6 ? 3.437 12.071 18.989 1.00 5.17 ? 26 HIS A NE2 1 ATOM 49 N N . GLU A 1 7 ? 6.778 13.649 13.471 1.00 6.90 ? 27 GLU A N 1 ATOM 50 C CA . GLU A 1 7 ? 7.019 14.002 12.085 1.00 7.68 ? 27 GLU A CA 1 ATOM 51 C C . GLU A 1 7 ? 8.009 13.027 11.490 1.00 7.65 ? 27 GLU A C 1 ATOM 52 O O . GLU A 1 7 ? 7.878 12.664 10.314 1.00 8.13 ? 27 GLU A O 1 ATOM 53 C CB . GLU A 1 7 ? 7.521 15.459 11.962 1.00 8.33 ? 27 GLU A CB 1 ATOM 54 C CG . GLU A 1 7 ? 6.457 16.451 12.352 1.00 8.71 ? 27 GLU A CG 1 ATOM 55 C CD . GLU A 1 7 ? 6.965 17.812 12.686 1.00 10.17 ? 27 GLU A CD 1 ATOM 56 O OE1 . GLU A 1 7 ? 8.233 17.990 12.793 1.00 10.45 ? 27 GLU A OE1 1 ATOM 57 O OE2 . GLU A 1 7 ? 6.067 18.700 12.875 1.00 11.10 ? 27 GLU A OE2 1 ATOM 58 N N . THR A 1 8 ? 8.987 12.589 12.284 1.00 7.61 ? 28 THR A N 1 ATOM 59 C CA . THR A 1 8 ? 9.941 11.592 11.853 1.00 7.68 ? 28 THR A CA 1 ATOM 60 C C . THR A 1 8 ? 9.239 10.281 11.518 1.00 7.20 ? 28 THR A C 1 ATOM 61 O O . THR A 1 8 ? 9.406 9.722 10.424 1.00 7.23 ? 28 THR A O 1 ATOM 62 C CB . THR A 1 8 ? 11.041 11.373 12.909 1.00 7.52 ? 28 THR A CB 1 ATOM 63 O OG1 . THR A 1 8 ? 11.648 12.626 13.281 1.00 8.25 ? 28 THR A OG1 1 ATOM 64 C CG2 . THR A 1 8 ? 12.092 10.356 12.441 1.00 7.64 ? 28 THR A CG2 1 ATOM 65 N N . VAL A 1 9 ? 8.349 9.821 12.413 1.00 7.08 ? 29 VAL A N 1 ATOM 66 C CA . VAL A 1 9 ? 7.579 8.608 12.168 1.00 6.97 ? 29 VAL A CA 1 ATOM 67 C C . VAL A 1 9 ? 6.853 8.748 10.832 1.00 6.77 ? 29 VAL A C 1 ATOM 68 O O . VAL A 1 9 ? 6.886 7.853 9.978 1.00 6.60 ? 29 VAL A O 1 ATOM 69 C CB . VAL A 1 9 ? 6.562 8.364 13.312 1.00 6.92 ? 29 VAL A CB 1 ATOM 70 C CG1 . VAL A 1 9 ? 5.525 7.354 12.981 1.00 6.75 ? 29 VAL A CG1 1 ATOM 71 C CG2 . VAL A 1 9 ? 7.318 7.950 14.569 1.00 6.86 ? 29 VAL A CG2 1 ATOM 72 N N . ALA A 1 10 ? 6.207 9.895 10.664 1.00 6.42 ? 30 ALA A N 1 ATOM 73 C CA . ALA A 1 10 ? 5.468 10.187 9.437 1.00 6.14 ? 30 ALA A CA 1 ATOM 74 C C . ALA A 1 10 ? 6.301 10.144 8.172 1.00 6.39 ? 30 ALA A C 1 ATOM 75 O O . ALA A 1 10 ? 5.869 9.523 7.207 1.00 5.84 ? 30 ALA A O 1 ATOM 76 C CB . ALA A 1 10 ? 4.716 11.483 9.570 1.00 6.68 ? 30 ALA A CB 1 ATOM 77 N N . TYR A 1 11 ? 7.501 10.762 8.194 1.00 6.65 ? 31 TYR A N 1 ATOM 78 C CA . TYR A 1 11 ? 8.346 10.788 7.001 1.00 6.84 ? 31 TYR A CA 1 ATOM 79 C C . TYR A 1 11 ? 8.857 9.398 6.665 1.00 6.90 ? 31 TYR A C 1 ATOM 80 O O . TYR A 1 11 ? 8.921 9.028 5.500 1.00 7.28 ? 31 TYR A O 1 ATOM 81 C CB . TYR A 1 11 ? 9.492 11.772 7.162 1.00 7.02 ? 31 TYR A CB 1 ATOM 82 C CG . TYR A 1 11 ? 9.203 13.232 6.878 1.00 7.06 ? 31 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 11 ? 8.641 13.647 5.662 1.00 7.25 ? 31 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 11 ? 9.564 14.187 7.777 1.00 7.29 ? 31 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 11 ? 8.448 14.993 5.392 1.00 7.15 ? 31 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 11 ? 9.385 15.541 7.534 1.00 7.34 ? 31 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 11 ? 8.816 15.941 6.326 1.00 7.42 ? 31 TYR A CZ 1 ATOM 88 O OH . TYR A 1 11 ? 8.687 17.309 6.101 1.00 8.33 ? 31 TYR A OH 1 ATOM 89 N N . ILE A 1 12 ? 9.184 8.584 7.684 1.00 6.55 ? 32 ILE A N 1 ATOM 90 C CA . ILE A 1 12 ? 9.509 7.194 7.488 1.00 6.79 ? 32 ILE A CA 1 ATOM 91 C C . ILE A 1 12 ? 8.400 6.450 6.773 1.00 7.11 ? 32 ILE A C 1 ATOM 92 O O . ILE A 1 12 ? 8.631 5.706 5.801 1.00 7.53 ? 32 ILE A O 1 ATOM 93 C CB . ILE A 1 12 ? 9.863 6.499 8.821 1.00 6.85 ? 32 ILE A CB 1 ATOM 94 C CG1 . ILE A 1 12 ? 11.190 7.103 9.377 1.00 6.86 ? 32 ILE A CG1 1 ATOM 95 C CG2 . ILE A 1 12 ? 10.090 5.020 8.562 1.00 7.04 ? 32 ILE A CG2 1 ATOM 96 C CD1 . ILE A 1 12 ? 11.606 6.724 10.780 1.00 7.08 ? 32 ILE A CD1 1 ATOM 97 N N . ALA A 1 13 ? 7.174 6.649 7.208 1.00 6.95 ? 33 ALA A N 1 ATOM 98 C CA . ALA A 1 13 ? 6.082 5.987 6.598 1.00 7.57 ? 33 ALA A CA 1 ATOM 99 C C . ALA A 1 13 ? 5.971 6.454 5.111 1.00 7.37 ? 33 ALA A C 1 ATOM 100 O O . ALA A 1 13 ? 5.746 5.677 4.228 1.00 7.82 ? 33 ALA A O 1 ATOM 101 C CB . ALA A 1 13 ? 4.811 6.206 7.367 1.00 7.55 ? 33 ALA A CB 1 ATOM 102 N N . GLN A 1 14 ? 6.168 7.737 4.866 1.00 7.67 ? 34 GLN A N 1 ATOM 103 C CA . GLN A 1 14 ? 6.116 8.256 3.504 1.00 8.30 ? 34 GLN A CA 1 ATOM 104 C C . GLN A 1 14 ? 7.101 7.518 2.567 1.00 8.35 ? 34 GLN A C 1 ATOM 105 O O . GLN A 1 14 ? 6.808 7.301 1.366 1.00 8.23 ? 34 GLN A O 1 ATOM 106 C CB . GLN A 1 14 ? 6.421 9.745 3.500 1.00 8.46 ? 34 GLN A CB 1 ATOM 107 C CG . GLN A 1 14 ? 5.276 10.606 4.028 1.00 8.72 ? 34 GLN A CG 1 ATOM 108 C CD . GLN A 1 14 ? 5.488 12.105 3.874 1.00 9.28 ? 34 GLN A CD 1 ATOM 109 O OE1 . GLN A 1 14 ? 4.846 12.932 4.579 1.00 9.74 ? 34 GLN A OE1 1 ATOM 110 N NE2 . GLN A 1 14 ? 6.337 12.485 2.918 1.00 9.84 ? 34 GLN A NE2 1 ATOM 111 N N . SER A 1 15 ? 8.247 7.134 3.138 1.00 8.51 ? 35 SER A N 1 ATOM 112 C CA . SER A 1 15 ? 9.302 6.459 2.427 1.00 9.43 ? 35 SER A CA 1 ATOM 113 C C . SER A 1 15 ? 9.008 4.998 2.078 1.00 10.01 ? 35 SER A C 1 ATOM 114 O O . SER A 1 15 ? 9.752 4.407 1.264 1.00 10.99 ? 35 SER A O 1 ATOM 115 C CB . SER A 1 15 ? 10.600 6.564 3.232 1.00 9.75 ? 35 SER A CB 1 ATOM 116 O OG . SER A 1 15 ? 10.985 7.925 3.189 1.00 10.79 ? 35 SER A OG 1 ATOM 117 N N . PHE A 1 16 ? 7.972 4.403 2.698 1.00 9.71 ? 36 PHE A N 1 ATOM 118 C CA . PHE A 1 16 ? 7.628 3.007 2.467 1.00 9.71 ? 36 PHE A CA 1 ATOM 119 C C . PHE A 1 16 ? 6.302 2.751 1.825 1.00 10.11 ? 36 PHE A C 1 ATOM 120 O O . PHE A 1 16 ? 6.142 1.711 1.156 1.00 10.33 ? 36 PHE A O 1 ATOM 121 C CB . PHE A 1 16 ? 7.738 2.175 3.771 1.00 10.14 ? 36 PHE A CB 1 ATOM 122 C CG . PHE A 1 16 ? 9.162 1.954 4.193 1.00 10.10 ? 36 PHE A CG 1 ATOM 123 C CD1 . PHE A 1 16 ? 9.917 0.942 3.617 1.00 10.82 ? 36 PHE A CD1 1 ATOM 124 C CD2 . PHE A 1 16 ? 9.761 2.831 5.046 1.00 10.04 ? 36 PHE A CD2 1 ATOM 125 C CE1 . PHE A 1 16 ? 11.273 0.803 3.938 1.00 10.88 ? 36 PHE A CE1 1 ATOM 126 C CE2 . PHE A 1 16 ? 11.076 2.712 5.410 1.00 11.15 ? 36 PHE A CE2 1 ATOM 127 C CZ . PHE A 1 16 ? 11.860 1.688 4.843 1.00 10.87 ? 36 PHE A CZ 1 ATOM 128 N N . VAL A 1 17 ? 5.329 3.638 2.006 1.00 9.46 ? 37 VAL A N 1 ATOM 129 C CA . VAL A 1 17 ? 4.009 3.368 1.398 1.00 9.02 ? 37 VAL A CA 1 ATOM 130 C C . VAL A 1 17 ? 4.057 3.222 -0.151 1.00 9.40 ? 37 VAL A C 1 ATOM 131 O O . VAL A 1 17 ? 4.855 3.884 -0.810 1.00 9.47 ? 37 VAL A O 1 ATOM 132 C CB . VAL A 1 17 ? 2.967 4.427 1.765 1.00 8.88 ? 37 VAL A CB 1 ATOM 133 C CG1 . VAL A 1 17 ? 2.703 4.418 3.284 1.00 8.70 ? 37 VAL A CG1 1 ATOM 134 C CG2 . VAL A 1 17 ? 3.359 5.837 1.359 1.00 8.88 ? 37 VAL A CG2 1 ATOM 135 N N . ALA A 1 18 ? 3.172 2.393 -0.682 1.00 9.92 ? 38 ALA A N 1 ATOM 136 C CA . ALA A 1 18 ? 2.967 2.263 -2.140 1.00 10.48 ? 38 ALA A CA 1 ATOM 137 C C . ALA A 1 18 ? 2.546 3.612 -2.680 1.00 11.37 ? 38 ALA A C 1 ATOM 138 O O . ALA A 1 18 ? 1.829 4.339 -1.992 1.00 13.28 ? 38 ALA A O 1 ATOM 139 C CB . ALA A 1 18 ? 1.892 1.219 -2.445 1.00 11.03 ? 38 ALA A CB 1 ATOM 140 N N . SER A 1 19 ? 2.893 3.928 -3.947 1.00 11.77 ? 39 SER A N 1 ATOM 141 C CA . SER A 1 19 ? 2.429 5.174 -4.602 1.00 10.76 ? 39 SER A CA 1 ATOM 142 C C . SER A 1 19 ? 0.907 5.276 -4.542 1.00 10.93 ? 39 SER A C 1 ATOM 143 O O . SER A 1 19 ? 0.377 6.363 -4.371 1.00 11.70 ? 39 SER A O 1 ATOM 144 C CB A SER A 1 19 ? 2.927 5.272 -6.064 0.70 11.01 ? 39 SER A CB 1 ATOM 145 C CB B SER A 1 19 ? 2.864 5.219 -6.089 0.30 10.79 ? 39 SER A CB 1 ATOM 146 O OG A SER A 1 19 ? 2.481 4.153 -6.755 0.70 11.22 ? 39 SER A OG 1 ATOM 147 O OG B SER A 1 19 ? 4.112 4.587 -6.303 0.30 10.44 ? 39 SER A OG 1 ATOM 148 N N . SER A 1 20 ? 0.196 4.148 -4.678 1.00 10.81 ? 40 SER A N 1 ATOM 149 C CA . SER A 1 20 ? -1.281 4.218 -4.637 1.00 10.37 ? 40 SER A CA 1 ATOM 150 C C . SER A 1 20 ? -1.778 4.637 -3.231 1.00 9.57 ? 40 SER A C 1 ATOM 151 O O . SER A 1 20 ? -2.798 5.307 -3.069 1.00 9.12 ? 40 SER A O 1 ATOM 152 C CB . SER A 1 20 ? -1.914 2.929 -5.104 1.00 11.19 ? 40 SER A CB 1 ATOM 153 O OG . SER A 1 20 ? -1.419 1.801 -4.364 1.00 13.07 ? 40 SER A OG 1 ATOM 154 N N . THR A 1 21 ? -1.027 4.233 -2.233 1.00 8.90 ? 41 THR A N 1 ATOM 155 C CA . THR A 1 21 ? -1.308 4.613 -0.835 1.00 8.64 ? 41 THR A CA 1 ATOM 156 C C . THR A 1 21 ? -1.026 6.078 -0.616 1.00 9.23 ? 41 THR A C 1 ATOM 157 O O . THR A 1 21 ? -1.809 6.770 0.059 1.00 8.54 ? 41 THR A O 1 ATOM 158 C CB . THR A 1 21 ? -0.509 3.728 0.135 1.00 8.24 ? 41 THR A CB 1 ATOM 159 O OG1 . THR A 1 21 ? -0.819 2.350 -0.104 1.00 7.51 ? 41 THR A OG1 1 ATOM 160 C CG2 . THR A 1 21 ? -0.828 4.076 1.588 1.00 8.36 ? 41 THR A CG2 1 ATOM 161 N N . GLU A 1 22 ? 0.089 6.564 -1.168 1.00 10.02 ? 42 GLU A N 1 ATOM 162 C CA . GLU A 1 22 ? 0.341 7.998 -1.168 1.00 9.84 ? 42 GLU A CA 1 ATOM 163 C C . GLU A 1 22 ? -0.857 8.788 -1.681 1.00 10.39 ? 42 GLU A C 1 ATOM 164 O O . GLU A 1 22 ? -1.309 9.764 -1.022 1.00 9.63 ? 42 GLU A O 1 ATOM 165 C CB A GLU A 1 22 ? 1.610 8.305 -1.934 0.50 10.07 ? 42 GLU A CB 1 ATOM 166 C CB B GLU A 1 22 ? 1.624 8.364 -1.943 0.50 10.81 ? 42 GLU A CB 1 ATOM 167 C CG A GLU A 1 22 ? 1.837 9.755 -2.240 0.50 9.65 ? 42 GLU A CG 1 ATOM 168 C CG B GLU A 1 22 ? 1.926 9.852 -2.093 0.50 11.02 ? 42 GLU A CG 1 ATOM 169 C CD A GLU A 1 22 ? 3.216 10.016 -2.773 0.50 9.72 ? 42 GLU A CD 1 ATOM 170 C CD B GLU A 1 22 ? 3.226 10.157 -2.833 0.50 11.81 ? 42 GLU A CD 1 ATOM 171 O OE1 A GLU A 1 22 ? 3.946 9.056 -3.124 0.50 9.34 ? 42 GLU A OE1 1 ATOM 172 O OE1 B GLU A 1 22 ? 3.182 10.380 -4.071 0.50 13.30 ? 42 GLU A OE1 1 ATOM 173 O OE2 A GLU A 1 22 ? 3.538 11.214 -2.859 0.50 9.80 ? 42 GLU A OE2 1 ATOM 174 O OE2 B GLU A 1 22 ? 4.296 10.216 -2.199 0.50 11.99 ? 42 GLU A OE2 1 ATOM 175 N N . SER A 1 23 ? -1.377 8.378 -2.832 1.00 10.03 ? 43 SER A N 1 ATOM 176 C CA . SER A 1 23 ? -2.454 9.100 -3.490 1.00 10.82 ? 43 SER A CA 1 ATOM 177 C C . SER A 1 23 ? -3.732 9.068 -2.667 1.00 10.23 ? 43 SER A C 1 ATOM 178 O O . SER A 1 23 ? -4.364 10.091 -2.475 1.00 11.07 ? 43 SER A O 1 ATOM 179 C CB A SER A 1 23 ? -2.672 8.605 -4.931 0.50 10.63 ? 43 SER A CB 1 ATOM 180 C CB B SER A 1 23 ? -2.692 8.490 -4.897 0.50 10.86 ? 43 SER A CB 1 ATOM 181 O OG A SER A 1 23 ? -1.479 8.843 -5.645 0.50 10.82 ? 43 SER A OG 1 ATOM 182 O OG B SER A 1 23 ? -3.857 8.984 -5.497 0.50 11.47 ? 43 SER A OG 1 ATOM 183 N N . PHE A 1 24 ? -4.020 7.891 -2.107 1.00 10.06 ? 44 PHE A N 1 ATOM 184 C CA . PHE A 1 24 ? -5.121 7.687 -1.218 1.00 9.92 ? 44 PHE A CA 1 ATOM 185 C C . PHE A 1 24 ? -5.064 8.654 -0.034 1.00 9.41 ? 44 PHE A C 1 ATOM 186 O O . PHE A 1 24 ? -6.071 9.323 0.275 1.00 8.29 ? 44 PHE A O 1 ATOM 187 C CB . PHE A 1 24 ? -5.106 6.228 -0.740 1.00 10.07 ? 44 PHE A CB 1 ATOM 188 C CG . PHE A 1 24 ? -6.172 5.875 0.273 1.00 9.93 ? 44 PHE A CG 1 ATOM 189 C CD1 . PHE A 1 24 ? -7.442 5.550 -0.136 1.00 9.97 ? 44 PHE A CD1 1 ATOM 190 C CD2 . PHE A 1 24 ? -5.877 5.844 1.613 1.00 10.44 ? 44 PHE A CD2 1 ATOM 191 C CE1 . PHE A 1 24 ? -8.408 5.173 0.762 1.00 10.24 ? 44 PHE A CE1 1 ATOM 192 C CE2 . PHE A 1 24 ? -6.855 5.507 2.568 1.00 10.28 ? 44 PHE A CE2 1 ATOM 193 C CZ . PHE A 1 24 ? -8.130 5.182 2.137 1.00 10.30 ? 44 PHE A CZ 1 ATOM 194 N N . CYS A 1 25 ? -3.895 8.721 0.602 1.00 9.10 ? 45 CYS A N 1 ATOM 195 C CA . CYS A 1 25 ? -3.687 9.605 1.756 1.00 9.66 ? 45 CYS A CA 1 ATOM 196 C C . CYS A 1 25 ? -3.742 11.091 1.461 1.00 9.91 ? 45 CYS A C 1 ATOM 197 O O . CYS A 1 25 ? -4.403 11.837 2.188 1.00 9.13 ? 45 CYS A O 1 ATOM 198 C CB . CYS A 1 25 ? -2.364 9.310 2.454 1.00 9.81 ? 45 CYS A CB 1 ATOM 199 S SG . CYS A 1 25 ? -2.409 7.680 3.241 1.00 9.96 ? 45 CYS A SG 1 ATOM 200 N N . GLN A 1 26 ? -3.034 11.513 0.407 1.00 9.71 ? 46 GLN A N 1 ATOM 201 C CA . GLN A 1 26 ? -3.076 12.878 -0.012 1.00 10.33 ? 46 GLN A CA 1 ATOM 202 C C . GLN A 1 26 ? -4.487 13.358 -0.276 1.00 11.26 ? 46 GLN A C 1 ATOM 203 O O . GLN A 1 26 ? -4.836 14.444 0.133 1.00 9.97 ? 46 GLN A O 1 ATOM 204 C CB . GLN A 1 26 ? -2.232 13.091 -1.244 1.00 11.10 ? 46 GLN A CB 1 ATOM 205 C CG . GLN A 1 26 ? -0.746 13.000 -0.944 1.00 11.84 ? 46 GLN A CG 1 ATOM 206 C CD . GLN A 1 26 ? 0.138 13.135 -2.152 1.00 12.88 ? 46 GLN A CD 1 ATOM 207 O OE1 . GLN A 1 26 ? -0.233 12.661 -3.211 1.00 14.01 ? 46 GLN A OE1 1 ATOM 208 N NE2 . GLN A 1 26 ? 1.319 13.777 -1.998 1.00 14.12 ? 46 GLN A NE2 1 ATOM 209 N N . ASN A 1 27 ? -5.278 12.574 -0.982 1.00 11.74 ? 47 ASN A N 1 ATOM 210 C CA . ASN A 1 27 ? -6.630 13.032 -1.334 1.00 12.65 ? 47 ASN A CA 1 ATOM 211 C C . ASN A 1 27 ? -7.487 13.195 -0.083 1.00 11.82 ? 47 ASN A C 1 ATOM 212 O O . ASN A 1 27 ? -8.207 14.182 0.084 1.00 10.18 ? 47 ASN A O 1 ATOM 213 C CB . ASN A 1 27 ? -7.261 12.052 -2.320 1.00 15.50 ? 47 ASN A CB 1 ATOM 214 C CG . ASN A 1 27 ? -6.737 12.226 -3.755 1.00 18.33 ? 47 ASN A CG 1 ATOM 215 O OD1 . ASN A 1 27 ? -6.698 11.269 -4.500 1.00 22.48 ? 47 ASN A OD1 1 ATOM 216 N ND2 . ASN A 1 27 ? -6.315 13.452 -4.143 1.00 21.83 ? 47 ASN A ND2 1 ATOM 217 N N . ILE A 1 28 ? -7.371 12.249 0.833 1.00 10.51 ? 48 ILE A N 1 ATOM 218 C CA . ILE A 1 28 ? -8.069 12.371 2.144 1.00 10.41 ? 48 ILE A CA 1 ATOM 219 C C . ILE A 1 28 ? -7.674 13.604 2.911 1.00 9.94 ? 48 ILE A C 1 ATOM 220 O O . ILE A 1 28 ? -8.545 14.313 3.470 1.00 10.89 ? 48 ILE A O 1 ATOM 221 C CB . ILE A 1 28 ? -7.916 11.124 3.034 1.00 10.35 ? 48 ILE A CB 1 ATOM 222 C CG1 . ILE A 1 28 ? -8.724 9.976 2.442 1.00 10.09 ? 48 ILE A CG1 1 ATOM 223 C CG2 . ILE A 1 28 ? -8.455 11.410 4.446 1.00 10.05 ? 48 ILE A CG2 1 ATOM 224 C CD1 . ILE A 1 28 ? -8.349 8.614 2.958 1.00 9.85 ? 48 ILE A CD1 1 ATOM 225 N N . LEU A 1 29 ? -6.382 13.892 2.939 1.00 9.17 ? 49 LEU A N 1 ATOM 226 C CA . LEU A 1 29 ? -5.888 15.017 3.710 1.00 9.20 ? 49 LEU A CA 1 ATOM 227 C C . LEU A 1 29 ? -6.067 16.369 3.008 1.00 9.19 ? 49 LEU A C 1 ATOM 228 O O . LEU A 1 29 ? -5.886 17.375 3.636 1.00 8.83 ? 49 LEU A O 1 ATOM 229 C CB . LEU A 1 29 ? -4.404 14.818 4.003 1.00 9.12 ? 49 LEU A CB 1 ATOM 230 C CG . LEU A 1 29 ? -4.068 13.583 4.866 1.00 8.79 ? 49 LEU A CG 1 ATOM 231 C CD1 . LEU A 1 29 ? -2.558 13.506 4.927 1.00 9.19 ? 49 LEU A CD1 1 ATOM 232 C CD2 . LEU A 1 29 ? -4.707 13.655 6.265 1.00 9.16 ? 49 LEU A CD2 1 ATOM 233 N N . GLY A 1 30 ? -6.350 16.374 1.707 1.00 9.68 ? 50 GLY A N 1 ATOM 234 C CA . GLY A 1 30 ? -6.330 17.623 0.927 1.00 10.31 ? 50 GLY A CA 1 ATOM 235 C C . GLY A 1 30 ? -4.940 18.242 0.943 1.00 10.65 ? 50 GLY A C 1 ATOM 236 O O . GLY A 1 30 ? -4.798 19.460 0.964 1.00 12.15 ? 50 GLY A O 1 ATOM 237 N N . ASP A 1 31 ? -3.916 17.402 0.926 1.00 10.20 ? 51 ASP A N 1 ATOM 238 C CA . ASP A 1 31 ? -2.540 17.844 1.026 1.00 9.85 ? 51 ASP A CA 1 ATOM 239 C C . ASP A 1 31 ? -1.769 17.037 -0.007 1.00 10.76 ? 51 ASP A C 1 ATOM 240 O O . ASP A 1 31 ? -1.532 15.839 0.182 1.00 11.42 ? 51 ASP A O 1 ATOM 241 C CB . ASP A 1 31 ? -2.017 17.640 2.447 1.00 9.69 ? 51 ASP A CB 1 ATOM 242 C CG . ASP A 1 31 ? -0.610 18.143 2.630 1.00 9.15 ? 51 ASP A CG 1 ATOM 243 O OD1 . ASP A 1 31 ? 0.221 18.112 1.692 1.00 9.49 ? 51 ASP A OD1 1 ATOM 244 O OD2 . ASP A 1 31 ? -0.306 18.605 3.737 1.00 9.68 ? 51 ASP A OD2 1 ATOM 245 N N . ASP A 1 32 ? -1.393 17.689 -1.102 1.00 11.81 ? 52 ASP A N 1 ATOM 246 C CA . ASP A 1 32 ? -0.630 17.093 -2.187 1.00 13.51 ? 52 ASP A CA 1 ATOM 247 C C . ASP A 1 32 ? 0.861 17.422 -2.090 1.00 12.50 ? 52 ASP A C 1 ATOM 248 O O . ASP A 1 32 ? 1.621 17.178 -3.030 1.00 13.10 ? 52 ASP A O 1 ATOM 249 C CB . ASP A 1 32 ? -1.178 17.603 -3.550 1.00 16.32 ? 52 ASP A CB 1 ATOM 250 C CG . ASP A 1 32 ? -2.687 17.273 -3.761 1.00 19.67 ? 52 ASP A CG 1 ATOM 251 O OD1 . ASP A 1 32 ? -3.081 16.114 -3.861 1.00 22.29 ? 52 ASP A OD1 1 ATOM 252 O OD2 . ASP A 1 32 ? -3.493 18.200 -3.803 1.00 28.03 ? 52 ASP A OD2 1 ATOM 253 N N . SER A 1 33 ? 1.297 17.944 -0.946 1.00 10.87 ? 53 SER A N 1 ATOM 254 C CA . SER A 1 33 ? 2.708 18.293 -0.760 1.00 9.88 ? 53 SER A CA 1 ATOM 255 C C . SER A 1 33 ? 3.578 17.081 -0.533 1.00 9.52 ? 53 SER A C 1 ATOM 256 O O . SER A 1 33 ? 3.126 16.019 -0.267 1.00 10.90 ? 53 SER A O 1 ATOM 257 C CB . SER A 1 33 ? 2.869 19.203 0.454 1.00 9.66 ? 53 SER A CB 1 ATOM 258 O OG . SER A 1 33 ? 2.821 18.479 1.684 1.00 8.54 ? 53 SER A OG 1 ATOM 259 N N . THR A 1 34 ? 4.872 17.299 -0.540 1.00 8.56 ? 54 THR A N 1 ATOM 260 C CA . THR A 1 34 ? 5.837 16.286 -0.244 1.00 8.46 ? 54 THR A CA 1 ATOM 261 C C . THR A 1 34 ? 6.041 16.019 1.295 1.00 7.99 ? 54 THR A C 1 ATOM 262 O O . THR A 1 34 ? 6.893 15.235 1.682 1.00 8.60 ? 54 THR A O 1 ATOM 263 C CB . THR A 1 34 ? 7.205 16.637 -0.823 1.00 8.24 ? 54 THR A CB 1 ATOM 264 O OG1 . THR A 1 34 ? 7.594 17.880 -0.253 1.00 8.96 ? 54 THR A OG1 1 ATOM 265 C CG2 . THR A 1 34 ? 7.157 16.717 -2.383 1.00 8.64 ? 54 THR A CG2 1 ATOM 266 N N . SER A 1 35 ? 5.238 16.627 2.135 1.00 8.31 ? 55 SER A N 1 ATOM 267 C CA . SER A 1 35 ? 5.255 16.362 3.588 1.00 8.35 ? 55 SER A CA 1 ATOM 268 C C . SER A 1 35 ? 3.819 16.000 4.060 1.00 8.34 ? 55 SER A C 1 ATOM 269 O O . SER A 1 35 ? 3.500 16.248 5.236 1.00 8.97 ? 55 SER A O 1 ATOM 270 C CB . SER A 1 35 ? 5.784 17.590 4.314 1.00 8.56 ? 55 SER A CB 1 ATOM 271 O OG . SER A 1 35 ? 7.137 17.810 4.003 1.00 9.12 ? 55 SER A OG 1 ATOM 272 N N . TYR A 1 36 ? 3.001 15.413 3.179 1.00 7.75 ? 56 TYR A N 1 ATOM 273 C CA . TYR A 1 36 ? 1.529 15.154 3.442 1.00 8.01 ? 56 TYR A CA 1 ATOM 274 C C . TYR A 1 36 ? 1.285 14.447 4.828 1.00 7.88 ? 56 TYR A C 1 ATOM 275 O O . TYR A 1 36 ? 0.445 14.924 5.654 1.00 7.75 ? 56 TYR A O 1 ATOM 276 C CB . TYR A 1 36 ? 0.857 14.424 2.240 1.00 8.23 ? 56 TYR A CB 1 ATOM 277 C CG . TYR A 1 36 ? 1.350 13.041 1.976 1.00 8.19 ? 56 TYR A CG 1 ATOM 278 C CD1 . TYR A 1 36 ? 2.594 12.808 1.338 1.00 8.31 ? 56 TYR A CD1 1 ATOM 279 C CD2 . TYR A 1 36 ? 0.600 11.937 2.359 1.00 7.99 ? 56 TYR A CD2 1 ATOM 280 C CE1 . TYR A 1 36 ? 3.041 11.522 1.110 1.00 8.94 ? 56 TYR A CE1 1 ATOM 281 C CE2 . TYR A 1 36 ? 1.053 10.670 2.134 1.00 8.49 ? 56 TYR A CE2 1 ATOM 282 C CZ . TYR A 1 36 ? 2.283 10.466 1.522 1.00 8.41 ? 56 TYR A CZ 1 ATOM 283 O OH . TYR A 1 36 ? 2.713 9.187 1.331 1.00 9.73 ? 56 TYR A OH 1 ATOM 284 N N . LEU A 1 37 ? 2.044 13.373 5.123 1.00 7.01 ? 57 LEU A N 1 ATOM 285 C CA . LEU A 1 37 ? 1.899 12.754 6.482 1.00 7.19 ? 57 LEU A CA 1 ATOM 286 C C . LEU A 1 37 ? 2.505 13.557 7.617 1.00 6.66 ? 57 LEU A C 1 ATOM 287 O O . LEU A 1 37 ? 1.889 13.698 8.694 1.00 7.01 ? 57 LEU A O 1 ATOM 288 C CB . LEU A 1 37 ? 2.443 11.330 6.538 1.00 6.90 ? 57 LEU A CB 1 ATOM 289 C CG . LEU A 1 37 ? 1.784 10.421 5.530 1.00 7.00 ? 57 LEU A CG 1 ATOM 290 C CD1 . LEU A 1 37 ? 2.332 9.028 5.674 1.00 7.04 ? 57 LEU A CD1 1 ATOM 291 C CD2 . LEU A 1 37 ? 0.273 10.407 5.629 1.00 6.92 ? 57 LEU A CD2 1 ATOM 292 N N . ALA A 1 38 ? 3.715 14.066 7.417 1.00 6.51 ? 58 ALA A N 1 ATOM 293 C CA . ALA A 1 38 ? 4.378 14.800 8.484 1.00 6.52 ? 58 ALA A CA 1 ATOM 294 C C . ALA A 1 38 ? 3.632 16.059 8.880 1.00 6.63 ? 58 ALA A C 1 ATOM 295 O O . ALA A 1 38 ? 3.581 16.390 10.055 1.00 6.67 ? 58 ALA A O 1 ATOM 296 C CB . ALA A 1 38 ? 5.838 15.084 8.079 1.00 6.70 ? 58 ALA A CB 1 ATOM 297 N N . ASN A 1 39 ? 3.011 16.753 7.899 1.00 6.86 ? 59 ASN A N 1 ATOM 298 C CA . ASN A 1 39 ? 2.247 17.953 8.133 1.00 7.00 ? 59 ASN A CA 1 ATOM 299 C C . ASN A 1 39 ? 1.068 17.803 9.127 1.00 7.41 ? 59 ASN A C 1 ATOM 300 O O . ASN A 1 39 ? 0.699 18.773 9.746 1.00 8.03 ? 59 ASN A O 1 ATOM 301 C CB . ASN A 1 39 ? 1.696 18.506 6.806 1.00 7.35 ? 59 ASN A CB 1 ATOM 302 C CG . ASN A 1 39 ? 2.712 19.237 5.979 1.00 7.51 ? 59 ASN A CG 1 ATOM 303 O OD1 . ASN A 1 39 ? 3.755 19.674 6.456 1.00 7.55 ? 59 ASN A OD1 1 ATOM 304 N ND2 . ASN A 1 39 ? 2.396 19.387 4.661 1.00 8.15 ? 59 ASN A ND2 1 ATOM 305 N N . VAL A 1 40 ? 0.461 16.621 9.164 1.00 7.24 ? 60 VAL A N 1 ATOM 306 C CA . VAL A 1 40 ? -0.695 16.329 9.976 1.00 7.63 ? 60 VAL A CA 1 ATOM 307 C C . VAL A 1 40 ? -0.347 15.508 11.217 1.00 7.34 ? 60 VAL A C 1 ATOM 308 O O . VAL A 1 40 ? -1.209 15.239 12.010 1.00 7.14 ? 60 VAL A O 1 ATOM 309 C CB . VAL A 1 40 ? -1.818 15.660 9.175 1.00 8.39 ? 60 VAL A CB 1 ATOM 310 C CG1 . VAL A 1 40 ? -2.184 16.498 7.965 1.00 9.16 ? 60 VAL A CG1 1 ATOM 311 C CG2 . VAL A 1 40 ? -1.510 14.241 8.753 1.00 8.66 ? 60 VAL A CG2 1 ATOM 312 N N . ALA A 1 41 ? 0.917 15.119 11.375 1.00 7.39 ? 61 ALA A N 1 ATOM 313 C CA . ALA A 1 41 ? 1.298 14.180 12.409 1.00 7.44 ? 61 ALA A CA 1 ATOM 314 C C . ALA A 1 41 ? 1.223 14.707 13.819 1.00 7.15 ? 61 ALA A C 1 ATOM 315 O O . ALA A 1 41 ? 1.255 13.895 14.737 1.00 6.72 ? 61 ALA A O 1 ATOM 316 C CB . ALA A 1 41 ? 2.702 13.643 12.164 1.00 7.73 ? 61 ALA A CB 1 ATOM 317 N N . THR A 1 42 ? 1.152 16.041 13.988 1.00 7.11 ? 62 THR A N 1 ATOM 318 C CA . THR A 1 42 ? 1.152 16.678 15.334 1.00 7.38 ? 62 THR A CA 1 ATOM 319 C C . THR A 1 42 ? -0.262 17.184 15.690 1.00 7.32 ? 62 THR A C 1 ATOM 320 O O . THR A 1 42 ? -0.497 17.512 16.827 1.00 7.38 ? 62 THR A O 1 ATOM 321 C CB . THR A 1 42 ? 2.144 17.866 15.422 1.00 8.05 ? 62 THR A CB 1 ATOM 322 O OG1 . THR A 1 42 ? 1.714 18.890 14.523 1.00 8.59 ? 62 THR A OG1 1 ATOM 323 C CG2 . THR A 1 42 ? 3.539 17.429 15.073 1.00 9.02 ? 62 THR A CG2 1 ATOM 324 N N . TRP A 1 43 ? -1.200 17.235 14.726 1.00 6.59 ? 63 TRP A N 1 ATOM 325 C CA . TRP A 1 43 ? -2.512 17.868 14.945 1.00 6.54 ? 63 TRP A CA 1 ATOM 326 C C . TRP A 1 43 ? -3.222 17.360 16.219 1.00 6.45 ? 63 TRP A C 1 ATOM 327 O O . TRP A 1 43 ? -3.770 18.129 16.966 1.00 5.73 ? 63 TRP A O 1 ATOM 328 C CB . TRP A 1 43 ? -3.371 17.640 13.738 1.00 6.51 ? 63 TRP A CB 1 ATOM 329 C CG . TRP A 1 43 ? -4.800 17.893 13.918 1.00 6.35 ? 63 TRP A CG 1 ATOM 330 C CD1 . TRP A 1 43 ? -5.434 19.069 13.874 1.00 6.38 ? 63 TRP A CD1 1 ATOM 331 C CD2 . TRP A 1 43 ? -5.781 16.915 14.203 1.00 6.44 ? 63 TRP A CD2 1 ATOM 332 N NE1 . TRP A 1 43 ? -6.788 18.915 14.112 1.00 6.07 ? 63 TRP A NE1 1 ATOM 333 C CE2 . TRP A 1 43 ? -7.038 17.586 14.298 1.00 6.41 ? 63 TRP A CE2 1 ATOM 334 C CE3 . TRP A 1 43 ? -5.739 15.539 14.369 1.00 6.61 ? 63 TRP A CE3 1 ATOM 335 C CZ2 . TRP A 1 43 ? -8.230 16.912 14.545 1.00 6.51 ? 63 TRP A CZ2 1 ATOM 336 C CZ3 . TRP A 1 43 ? -6.916 14.878 14.660 1.00 6.36 ? 63 TRP A CZ3 1 ATOM 337 C CH2 . TRP A 1 43 ? -8.136 15.545 14.743 1.00 6.42 ? 63 TRP A CH2 1 ATOM 338 N N . ALA A 1 44 ? -3.190 16.028 16.426 1.00 6.03 ? 64 ALA A N 1 ATOM 339 C CA . ALA A 1 44 ? -3.940 15.434 17.552 1.00 6.07 ? 64 ALA A CA 1 ATOM 340 C C . ALA A 1 44 ? -3.488 15.982 18.896 1.00 6.20 ? 64 ALA A C 1 ATOM 341 O O . ALA A 1 44 ? -4.320 16.106 19.809 1.00 6.60 ? 64 ALA A O 1 ATOM 342 C CB . ALA A 1 44 ? -3.885 13.898 17.516 1.00 5.70 ? 64 ALA A CB 1 ATOM 343 N N . ASP A 1 45 ? -2.226 16.443 18.993 1.00 6.03 ? 65 ASP A N 1 ATOM 344 C CA . ASP A 1 45 ? -1.681 16.923 20.267 1.00 6.33 ? 65 ASP A CA 1 ATOM 345 C C . ASP A 1 45 ? -2.109 18.307 20.626 1.00 6.95 ? 65 ASP A C 1 ATOM 346 O O . ASP A 1 45 ? -2.175 18.629 21.785 1.00 7.62 ? 65 ASP A O 1 ATOM 347 C CB . ASP A 1 45 ? -0.147 16.807 20.320 1.00 6.26 ? 65 ASP A CB 1 ATOM 348 C CG . ASP A 1 45 ? 0.323 15.447 20.789 1.00 6.27 ? 65 ASP A CG 1 ATOM 349 O OD1 . ASP A 1 45 ? -0.522 14.614 21.277 1.00 5.83 ? 65 ASP A OD1 1 ATOM 350 O OD2 . ASP A 1 45 ? 1.533 15.198 20.654 1.00 6.14 ? 65 ASP A OD2 1 ATOM 351 N N . THR A 1 46 ? -2.456 19.130 19.636 1.00 7.53 ? 66 THR A N 1 ATOM 352 C CA . THR A 1 46 ? -3.087 20.414 19.963 1.00 7.47 ? 66 THR A CA 1 ATOM 353 C C . THR A 1 46 ? -4.592 20.332 19.968 1.00 7.61 ? 66 THR A C 1 ATOM 354 O O . THR A 1 46 ? -5.245 20.963 20.836 1.00 7.90 ? 66 THR A O 1 ATOM 355 C CB . THR A 1 46 ? -2.615 21.529 19.031 1.00 7.54 ? 66 THR A CB 1 ATOM 356 O OG1 . THR A 1 46 ? -2.861 21.173 17.691 1.00 7.88 ? 66 THR A OG1 1 ATOM 357 C CG2 . THR A 1 46 ? -1.096 21.802 19.217 1.00 7.77 ? 66 THR A CG2 1 ATOM 358 N N . TYR A 1 47 ? -5.157 19.557 19.047 1.00 7.19 ? 67 TYR A N 1 ATOM 359 C CA . TYR A 1 47 ? -6.623 19.310 19.031 1.00 7.39 ? 67 TYR A CA 1 ATOM 360 C C . TYR A 1 47 ? -7.206 18.877 20.375 1.00 7.27 ? 67 TYR A C 1 ATOM 361 O O . TYR A 1 47 ? -8.280 19.326 20.770 1.00 7.40 ? 67 TYR A O 1 ATOM 362 C CB . TYR A 1 47 ? -6.960 18.258 18.016 1.00 7.74 ? 67 TYR A CB 1 ATOM 363 C CG . TYR A 1 47 ? -8.435 17.955 17.829 1.00 8.04 ? 67 TYR A CG 1 ATOM 364 C CD1 . TYR A 1 47 ? -9.304 18.929 17.349 1.00 8.64 ? 67 TYR A CD1 1 ATOM 365 C CD2 . TYR A 1 47 ? -8.938 16.687 18.045 1.00 7.97 ? 67 TYR A CD2 1 ATOM 366 C CE1 . TYR A 1 47 ? -10.635 18.623 17.138 1.00 8.71 ? 67 TYR A CE1 1 ATOM 367 C CE2 . TYR A 1 47 ? -10.230 16.391 17.849 1.00 8.01 ? 67 TYR A CE2 1 ATOM 368 C CZ . TYR A 1 47 ? -11.094 17.352 17.363 1.00 9.12 ? 67 TYR A CZ 1 ATOM 369 O OH . TYR A 1 47 ? -12.420 16.995 17.151 1.00 9.32 ? 67 TYR A OH 1 ATOM 370 N N . LYS A 1 48 ? -6.497 17.982 21.088 1.00 6.81 ? 68 LYS A N 1 ATOM 371 C CA . LYS A 1 48 ? -6.994 17.489 22.365 1.00 6.89 ? 68 LYS A CA 1 ATOM 372 C C . LYS A 1 48 ? -7.165 18.499 23.470 1.00 6.97 ? 68 LYS A C 1 ATOM 373 O O . LYS A 1 48 ? -7.787 18.180 24.503 1.00 7.05 ? 68 LYS A O 1 ATOM 374 C CB . LYS A 1 48 ? -6.128 16.338 22.892 1.00 6.65 ? 68 LYS A CB 1 ATOM 375 C CG . LYS A 1 48 ? -4.722 16.749 23.353 1.00 6.42 ? 68 LYS A CG 1 ATOM 376 C CD . LYS A 1 48 ? -3.852 15.534 23.485 1.00 6.30 ? 68 LYS A CD 1 ATOM 377 C CE . LYS A 1 48 ? -2.455 15.811 24.042 1.00 6.43 ? 68 LYS A CE 1 ATOM 378 N NZ . LYS A 1 48 ? -1.557 14.616 24.004 1.00 6.42 ? 68 LYS A NZ 1 ATOM 379 N N . TYR A 1 49 ? -6.513 19.652 23.315 1.00 7.40 ? 69 TYR A N 1 ATOM 380 C CA . TYR A 1 49 ? -6.657 20.781 24.229 1.00 7.75 ? 69 TYR A CA 1 ATOM 381 C C . TYR A 1 49 ? -7.669 21.843 23.830 1.00 7.55 ? 69 TYR A C 1 ATOM 382 O O . TYR A 1 49 ? -7.763 22.909 24.483 1.00 8.03 ? 69 TYR A O 1 ATOM 383 C CB . TYR A 1 49 ? -5.261 21.398 24.464 1.00 8.43 ? 69 TYR A CB 1 ATOM 384 C CG . TYR A 1 49 ? -4.293 20.419 25.148 1.00 9.03 ? 69 TYR A CG 1 ATOM 385 C CD1 . TYR A 1 49 ? -4.656 19.755 26.300 1.00 9.54 ? 69 TYR A CD1 1 ATOM 386 C CD2 . TYR A 1 49 ? -3.000 20.167 24.640 1.00 9.34 ? 69 TYR A CD2 1 ATOM 387 C CE1 . TYR A 1 49 ? -3.780 18.861 26.939 1.00 10.11 ? 69 TYR A CE1 1 ATOM 388 C CE2 . TYR A 1 49 ? -2.144 19.278 25.273 1.00 9.74 ? 69 TYR A CE2 1 ATOM 389 C CZ . TYR A 1 49 ? -2.523 18.625 26.404 1.00 9.98 ? 69 TYR A CZ 1 ATOM 390 O OH . TYR A 1 49 ? -1.702 17.732 27.075 1.00 12.12 ? 69 TYR A OH 1 ATOM 391 N N . THR A 1 50 ? -8.415 21.608 22.768 1.00 7.72 ? 70 THR A N 1 ATOM 392 C CA . THR A 1 50 ? -9.511 22.490 22.368 1.00 7.82 ? 70 THR A CA 1 ATOM 393 C C . THR A 1 50 ? -10.820 22.020 22.953 1.00 8.77 ? 70 THR A C 1 ATOM 394 O O . THR A 1 50 ? -10.929 20.850 23.375 1.00 9.72 ? 70 THR A O 1 ATOM 395 C CB . THR A 1 50 ? -9.653 22.563 20.822 1.00 7.45 ? 70 THR A CB 1 ATOM 396 O OG1 . THR A 1 50 ? -10.102 21.284 20.309 1.00 7.20 ? 70 THR A OG1 1 ATOM 397 C CG2 . THR A 1 50 ? -8.343 23.032 20.198 1.00 7.26 ? 70 THR A CG2 1 ATOM 398 N N . ASP A 1 51 ? -11.849 22.841 22.894 1.00 9.65 ? 71 ASP A N 1 ATOM 399 C CA . ASP A 1 51 ? -13.152 22.440 23.430 1.00 10.78 ? 71 ASP A CA 1 ATOM 400 C C . ASP A 1 51 ? -13.660 21.199 22.677 1.00 10.56 ? 71 ASP A C 1 ATOM 401 O O . ASP A 1 51 ? -14.039 20.218 23.299 1.00 11.72 ? 71 ASP A O 1 ATOM 402 C CB . ASP A 1 51 ? -14.219 23.538 23.321 1.00 11.88 ? 71 ASP A CB 1 ATOM 403 C CG . ASP A 1 51 ? -13.934 24.748 24.208 1.00 12.86 ? 71 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 51 ? -13.118 24.710 25.132 1.00 14.25 ? 71 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 51 ? -14.569 25.805 23.948 1.00 15.05 ? 71 ASP A OD2 1 ATOM 406 N N . ALA A 1 52 ? -13.641 21.276 21.367 1.00 10.45 ? 72 ALA A N 1 ATOM 407 C CA . ALA A 1 52 ? -14.157 20.225 20.512 1.00 10.75 ? 72 ALA A CA 1 ATOM 408 C C . ALA A 1 52 ? -13.357 18.934 20.600 1.00 10.00 ? 72 ALA A C 1 ATOM 409 O O . ALA A 1 52 ? -13.891 17.921 20.287 1.00 10.37 ? 72 ALA A O 1 ATOM 410 C CB . ALA A 1 52 ? -14.180 20.674 19.065 1.00 11.40 ? 72 ALA A CB 1 ATOM 411 N N . GLY A 1 53 ? -12.070 18.996 20.907 1.00 8.71 ? 73 GLY A N 1 ATOM 412 C CA . GLY A 1 53 ? -11.210 17.843 20.893 1.00 8.71 ? 73 GLY A CA 1 ATOM 413 C C . GLY A 1 53 ? -10.894 17.173 22.198 1.00 8.98 ? 73 GLY A C 1 ATOM 414 O O . GLY A 1 53 ? -10.231 16.164 22.190 1.00 8.10 ? 73 GLY A O 1 ATOM 415 N N . GLU A 1 54 ? -11.345 17.749 23.312 1.00 9.66 ? 74 GLU A N 1 ATOM 416 C CA . GLU A 1 54 ? -11.065 17.257 24.656 1.00 11.03 ? 74 GLU A CA 1 ATOM 417 C C . GLU A 1 54 ? -11.350 15.752 24.820 1.00 10.62 ? 74 GLU A C 1 ATOM 418 O O . GLU A 1 54 ? -10.632 15.084 25.530 1.00 9.81 ? 74 GLU A O 1 ATOM 419 C CB . GLU A 1 54 ? -11.931 17.990 25.671 1.00 14.35 ? 74 GLU A CB 1 ATOM 420 C CG . GLU A 1 54 ? -11.498 17.851 27.117 1.00 18.95 ? 74 GLU A CG 1 ATOM 421 C CD . GLU A 1 54 ? -12.548 18.339 28.130 1.00 23.21 ? 74 GLU A CD 1 ATOM 422 O OE1 . GLU A 1 54 ? -12.411 17.974 29.318 1.00 26.62 ? 74 GLU A OE1 1 ATOM 423 O OE2 . GLU A 1 54 ? -13.506 19.075 27.771 1.00 27.69 ? 74 GLU A OE2 1 ATOM 424 N N . PHE A 1 55 ? -12.409 15.288 24.164 1.00 9.23 ? 75 PHE A N 1 ATOM 425 C CA . PHE A 1 55 ? -12.831 13.841 24.215 1.00 9.59 ? 75 PHE A CA 1 ATOM 426 C C . PHE A 1 55 ? -11.660 12.910 23.829 1.00 9.15 ? 75 PHE A C 1 ATOM 427 O O . PHE A 1 55 ? -11.612 11.765 24.231 1.00 9.10 ? 75 PHE A O 1 ATOM 428 C CB . PHE A 1 55 ? -14.027 13.565 23.317 1.00 9.60 ? 75 PHE A CB 1 ATOM 429 C CG . PHE A 1 55 ? -13.718 13.553 21.861 1.00 9.66 ? 75 PHE A CG 1 ATOM 430 C CD1 . PHE A 1 55 ? -13.683 14.727 21.113 1.00 9.89 ? 75 PHE A CD1 1 ATOM 431 C CD2 . PHE A 1 55 ? -13.488 12.359 21.197 1.00 9.34 ? 75 PHE A CD2 1 ATOM 432 C CE1 . PHE A 1 55 ? -13.372 14.707 19.759 1.00 9.66 ? 75 PHE A CE1 1 ATOM 433 C CE2 . PHE A 1 55 ? -13.170 12.337 19.856 1.00 9.40 ? 75 PHE A CE2 1 ATOM 434 C CZ . PHE A 1 55 ? -13.106 13.508 19.127 1.00 9.87 ? 75 PHE A CZ 1 ATOM 435 N N . SER A 1 56 ? -10.731 13.428 23.040 1.00 8.64 ? 76 SER A N 1 ATOM 436 C CA . SER A 1 56 ? -9.683 12.603 22.418 1.00 7.86 ? 76 SER A CA 1 ATOM 437 C C . SER A 1 56 ? -8.371 12.557 23.186 1.00 8.06 ? 76 SER A C 1 ATOM 438 O O . SER A 1 56 ? -7.481 11.806 22.799 1.00 6.76 ? 76 SER A O 1 ATOM 439 C CB . SER A 1 56 ? -9.440 13.079 20.987 1.00 8.23 ? 76 SER A CB 1 ATOM 440 O OG . SER A 1 56 ? -8.726 14.307 20.907 1.00 7.93 ? 76 SER A OG 1 ATOM 441 N N . LYS A 1 57 ? -8.269 13.302 24.295 1.00 7.99 ? 77 LYS A N 1 ATOM 442 C CA . LYS A 1 57 ? -7.048 13.246 25.119 1.00 8.79 ? 77 LYS A CA 1 ATOM 443 C C . LYS A 1 57 ? -6.653 11.818 25.511 1.00 7.62 ? 77 LYS A C 1 ATOM 444 O O . LYS A 1 57 ? -5.481 11.488 25.462 1.00 7.14 ? 77 LYS A O 1 ATOM 445 C CB A LYS A 1 57 ? -7.189 14.167 26.332 0.50 9.40 ? 77 LYS A CB 1 ATOM 446 C CB B LYS A 1 57 ? -7.158 14.022 26.461 0.50 9.68 ? 77 LYS A CB 1 ATOM 447 C CG A LYS A 1 57 ? -5.905 14.380 27.075 0.50 9.89 ? 77 LYS A CG 1 ATOM 448 C CG B LYS A 1 57 ? -7.035 15.524 26.459 0.50 10.70 ? 77 LYS A CG 1 ATOM 449 C CD A LYS A 1 57 ? -6.094 15.412 28.186 0.50 11.14 ? 77 LYS A CD 1 ATOM 450 C CD B LYS A 1 57 ? -7.000 16.078 27.902 0.50 11.80 ? 77 LYS A CD 1 ATOM 451 C CE A LYS A 1 57 ? -6.858 16.609 27.667 0.50 11.86 ? 77 LYS A CE 1 ATOM 452 C CE B LYS A 1 57 ? -7.210 17.587 27.899 0.50 13.02 ? 77 LYS A CE 1 ATOM 453 N NZ A LYS A 1 57 ? -6.950 17.626 28.740 0.50 13.32 ? 77 LYS A NZ 1 ATOM 454 N NZ B LYS A 1 57 ? -7.595 18.283 29.201 0.50 13.81 ? 77 LYS A NZ 1 ATOM 455 N N . PRO A 1 58 ? -7.604 10.981 25.951 1.00 7.10 ? 78 PRO A N 1 ATOM 456 C CA . PRO A 1 58 ? -7.146 9.643 26.364 1.00 6.92 ? 78 PRO A CA 1 ATOM 457 C C . PRO A 1 58 ? -6.671 8.712 25.268 1.00 6.57 ? 78 PRO A C 1 ATOM 458 O O . PRO A 1 58 ? -6.029 7.721 25.567 1.00 6.72 ? 78 PRO A O 1 ATOM 459 C CB . PRO A 1 58 ? -8.409 9.010 27.033 1.00 7.19 ? 78 PRO A CB 1 ATOM 460 C CG . PRO A 1 58 ? -9.513 9.974 26.864 1.00 7.14 ? 78 PRO A CG 1 ATOM 461 C CD . PRO A 1 58 ? -9.020 11.236 26.342 1.00 7.21 ? 78 PRO A CD 1 ATOM 462 N N . TYR A 1 59 ? -6.958 9.049 24.006 1.00 6.15 ? 79 TYR A N 1 ATOM 463 C CA . TYR A 1 59 ? -6.526 8.260 22.880 1.00 5.68 ? 79 TYR A CA 1 ATOM 464 C C . TYR A 1 59 ? -5.045 8.224 22.627 1.00 5.10 ? 79 TYR A C 1 ATOM 465 O O . TYR A 1 59 ? -4.628 7.532 21.710 1.00 4.74 ? 79 TYR A O 1 ATOM 466 C CB . TYR A 1 59 ? -7.199 8.719 21.587 1.00 5.73 ? 79 TYR A CB 1 ATOM 467 C CG . TYR A 1 59 ? -8.739 8.748 21.598 1.00 5.97 ? 79 TYR A CG 1 ATOM 468 C CD1 . TYR A 1 59 ? -9.494 8.197 22.625 1.00 6.63 ? 79 TYR A CD1 1 ATOM 469 C CD2 . TYR A 1 59 ? -9.414 9.391 20.576 1.00 6.19 ? 79 TYR A CD2 1 ATOM 470 C CE1 . TYR A 1 59 ? -10.858 8.270 22.630 1.00 6.38 ? 79 TYR A CE1 1 ATOM 471 C CE2 . TYR A 1 59 ? -10.789 9.445 20.536 1.00 6.41 ? 79 TYR A CE2 1 ATOM 472 C CZ . TYR A 1 59 ? -11.507 8.872 21.562 1.00 6.89 ? 79 TYR A CZ 1 ATOM 473 O OH . TYR A 1 59 ? -12.910 8.914 21.527 1.00 7.52 ? 79 TYR A OH 1 ATOM 474 N N . HIS A 1 60 ? -4.243 8.915 23.403 1.00 4.85 ? 80 HIS A N 1 ATOM 475 C CA . HIS A 1 60 ? -2.803 8.998 23.131 1.00 4.69 ? 80 HIS A CA 1 ATOM 476 C C . HIS A 1 60 ? -1.974 7.910 23.794 1.00 5.19 ? 80 HIS A C 1 ATOM 477 O O . HIS A 1 60 ? -0.748 7.807 23.532 1.00 5.32 ? 80 HIS A O 1 ATOM 478 C CB . HIS A 1 60 ? -2.286 10.394 23.431 1.00 4.46 ? 80 HIS A CB 1 ATOM 479 C CG . HIS A 1 60 ? -2.850 11.427 22.515 1.00 4.10 ? 80 HIS A CG 1 ATOM 480 N ND1 . HIS A 1 60 ? -2.072 12.130 21.612 1.00 3.86 ? 80 HIS A ND1 1 ATOM 481 C CD2 . HIS A 1 60 ? -4.129 11.831 22.308 1.00 3.89 ? 80 HIS A CD2 1 ATOM 482 C CE1 . HIS A 1 60 ? -2.826 12.988 20.972 1.00 3.89 ? 80 HIS A CE1 1 ATOM 483 N NE2 . HIS A 1 60 ? -4.093 12.765 21.315 1.00 3.77 ? 80 HIS A NE2 1 ATOM 484 N N . PHE A 1 61 ? -2.578 7.155 24.699 1.00 5.50 ? 81 PHE A N 1 ATOM 485 C CA . PHE A 1 61 ? -1.820 6.208 25.491 1.00 5.84 ? 81 PHE A CA 1 ATOM 486 C C . PHE A 1 61 ? -2.714 5.066 25.968 1.00 5.94 ? 81 PHE A C 1 ATOM 487 O O . PHE A 1 61 ? -3.953 5.079 25.793 1.00 6.07 ? 81 PHE A O 1 ATOM 488 C CB . PHE A 1 61 ? -1.177 6.918 26.696 1.00 6.20 ? 81 PHE A CB 1 ATOM 489 C CG . PHE A 1 61 ? -2.166 7.735 27.495 1.00 6.78 ? 81 PHE A CG 1 ATOM 490 C CD1 . PHE A 1 61 ? -2.937 7.155 28.468 1.00 7.23 ? 81 PHE A CD1 1 ATOM 491 C CD2 . PHE A 1 61 ? -2.343 9.074 27.231 1.00 6.90 ? 81 PHE A CD2 1 ATOM 492 C CE1 . PHE A 1 61 ? -3.849 7.922 29.217 1.00 7.69 ? 81 PHE A CE1 1 ATOM 493 C CE2 . PHE A 1 61 ? -3.277 9.834 27.937 1.00 7.39 ? 81 PHE A CE2 1 ATOM 494 C CZ . PHE A 1 61 ? -4.023 9.245 28.936 1.00 7.77 ? 81 PHE A CZ 1 ATOM 495 N N . ILE A 1 62 ? -2.074 4.048 26.514 1.00 5.79 ? 82 ILE A N 1 ATOM 496 C CA . ILE A 1 62 ? -2.782 2.997 27.246 1.00 6.11 ? 82 ILE A CA 1 ATOM 497 C C . ILE A 1 62 ? -2.027 2.792 28.544 1.00 6.42 ? 82 ILE A C 1 ATOM 498 O O . ILE A 1 62 ? -0.865 2.439 28.523 1.00 6.51 ? 82 ILE A O 1 ATOM 499 C CB . ILE A 1 62 ? -3.007 1.698 26.399 1.00 6.00 ? 82 ILE A CB 1 ATOM 500 C CG1 . ILE A 1 62 ? -3.753 0.669 27.252 1.00 6.26 ? 82 ILE A CG1 1 ATOM 501 C CG2 . ILE A 1 62 ? -1.696 1.172 25.816 1.00 5.91 ? 82 ILE A CG2 1 ATOM 502 C CD1 . ILE A 1 62 ? -4.289 -0.515 26.481 1.00 6.45 ? 82 ILE A CD1 1 ATOM 503 N N . ASP A 1 63 ? -2.709 3.060 29.661 1.00 6.98 ? 83 ASP A N 1 ATOM 504 C CA . ASP A 1 63 ? -2.074 3.124 30.960 1.00 7.36 ? 83 ASP A CA 1 ATOM 505 C C . ASP A 1 63 ? -1.884 1.703 31.518 1.00 7.17 ? 83 ASP A C 1 ATOM 506 O O . ASP A 1 63 ? -2.675 1.215 32.375 1.00 7.32 ? 83 ASP A O 1 ATOM 507 C CB . ASP A 1 63 ? -2.899 4.032 31.896 1.00 7.99 ? 83 ASP A CB 1 ATOM 508 C CG . ASP A 1 63 ? -2.538 5.516 31.823 1.00 8.58 ? 83 ASP A CG 1 ATOM 509 O OD1 . ASP A 1 63 ? -1.414 5.822 31.376 1.00 9.18 ? 83 ASP A OD1 1 ATOM 510 O OD2 . ASP A 1 63 ? -3.343 6.389 32.290 1.00 8.49 ? 83 ASP A OD2 1 ATOM 511 N N . ALA A 1 64 ? -0.831 1.034 31.062 1.00 7.40 ? 84 ALA A N 1 ATOM 512 C CA . ALA A 1 64 ? -0.582 -0.341 31.525 1.00 7.78 ? 84 ALA A CA 1 ATOM 513 C C . ALA A 1 64 ? -0.394 -0.430 33.052 1.00 8.44 ? 84 ALA A C 1 ATOM 514 O O . ALA A 1 64 ? 0.511 0.157 33.601 1.00 8.22 ? 84 ALA A O 1 ATOM 515 C CB . ALA A 1 64 ? 0.585 -0.973 30.849 1.00 7.22 ? 84 ALA A CB 1 ATOM 516 N N . GLN A 1 65 ? -1.231 -1.247 33.690 1.00 10.03 ? 85 GLN A N 1 ATOM 517 C CA . GLN A 1 65 ? -1.211 -1.443 35.145 1.00 10.94 ? 85 GLN A CA 1 ATOM 518 C C . GLN A 1 65 ? -0.305 -2.615 35.453 1.00 10.47 ? 85 GLN A C 1 ATOM 519 O O . GLN A 1 65 ? -0.724 -3.660 35.963 1.00 10.95 ? 85 GLN A O 1 ATOM 520 C CB . GLN A 1 65 ? -2.626 -1.642 35.646 1.00 12.02 ? 85 GLN A CB 1 ATOM 521 C CG . GLN A 1 65 ? -3.523 -0.455 35.347 1.00 14.27 ? 85 GLN A CG 1 ATOM 522 C CD . GLN A 1 65 ? -4.915 -0.643 35.887 1.00 16.72 ? 85 GLN A CD 1 ATOM 523 O OE1 . GLN A 1 65 ? -5.069 -1.104 36.999 1.00 19.01 ? 85 GLN A OE1 1 ATOM 524 N NE2 . GLN A 1 65 ? -5.931 -0.259 35.143 1.00 18.58 ? 85 GLN A NE2 1 ATOM 525 N N . ASP A 1 66 ? 0.984 -2.424 35.173 1.00 9.99 ? 86 ASP A N 1 ATOM 526 C CA . ASP A 1 66 ? 1.977 -3.455 35.437 1.00 10.64 ? 86 ASP A CA 1 ATOM 527 C C . ASP A 1 66 ? 2.892 -3.027 36.591 1.00 11.72 ? 86 ASP A C 1 ATOM 528 O O . ASP A 1 66 ? 2.544 -2.156 37.355 1.00 12.25 ? 86 ASP A O 1 ATOM 529 C CB . ASP A 1 66 ? 2.711 -3.831 34.134 1.00 9.60 ? 86 ASP A CB 1 ATOM 530 C CG . ASP A 1 66 ? 3.374 -2.653 33.423 1.00 9.21 ? 86 ASP A CG 1 ATOM 531 O OD1 . ASP A 1 66 ? 3.451 -1.510 33.945 1.00 8.76 ? 86 ASP A OD1 1 ATOM 532 O OD2 . ASP A 1 66 ? 3.866 -2.869 32.311 1.00 8.36 ? 86 ASP A OD2 1 ATOM 533 N N . ASN A 1 67 ? 4.058 -3.643 36.722 1.00 13.90 ? 87 ASN A N 1 ATOM 534 C CA . ASN A 1 67 ? 4.932 -3.407 37.870 1.00 15.04 ? 87 ASN A CA 1 ATOM 535 C C . ASN A 1 67 ? 6.417 -3.251 37.462 1.00 13.35 ? 87 ASN A C 1 ATOM 536 O O . ASN A 1 67 ? 7.258 -4.134 37.680 1.00 12.46 ? 87 ASN A O 1 ATOM 537 C CB . ASN A 1 67 ? 4.680 -4.545 38.836 1.00 19.14 ? 87 ASN A CB 1 ATOM 538 C CG . ASN A 1 67 ? 5.425 -4.388 40.116 1.00 23.85 ? 87 ASN A CG 1 ATOM 539 O OD1 . ASN A 1 67 ? 5.577 -3.268 40.641 1.00 29.93 ? 87 ASN A OD1 1 ATOM 540 N ND2 . ASN A 1 67 ? 5.919 -5.524 40.651 1.00 30.79 ? 87 ASN A ND2 1 ATOM 541 N N . PRO A 1 68 ? 6.748 -2.138 36.785 1.00 12.25 ? 88 PRO A N 1 ATOM 542 C CA . PRO A 1 68 ? 8.085 -2.033 36.222 1.00 11.82 ? 88 PRO A CA 1 ATOM 543 C C . PRO A 1 68 ? 9.078 -1.536 37.275 1.00 12.46 ? 88 PRO A C 1 ATOM 544 O O . PRO A 1 68 ? 8.643 -0.849 38.211 1.00 13.24 ? 88 PRO A O 1 ATOM 545 C CB . PRO A 1 68 ? 7.893 -0.990 35.109 1.00 11.59 ? 88 PRO A CB 1 ATOM 546 C CG . PRO A 1 68 ? 6.839 -0.113 35.657 1.00 11.25 ? 88 PRO A CG 1 ATOM 547 C CD . PRO A 1 68 ? 5.882 -1.023 36.326 1.00 11.42 ? 88 PRO A CD 1 ATOM 548 N N . PRO A 1 69 ? 10.378 -1.820 37.129 1.00 12.52 ? 89 PRO A N 1 ATOM 549 C CA . PRO A 1 69 ? 10.963 -2.524 35.999 1.00 12.77 ? 89 PRO A CA 1 ATOM 550 C C . PRO A 1 69 ? 10.943 -4.055 36.100 1.00 13.17 ? 89 PRO A C 1 ATOM 551 O O . PRO A 1 69 ? 11.385 -4.719 35.201 1.00 14.01 ? 89 PRO A O 1 ATOM 552 C CB . PRO A 1 69 ? 12.412 -2.024 35.998 1.00 12.77 ? 89 PRO A CB 1 ATOM 553 C CG . PRO A 1 69 ? 12.684 -1.791 37.435 1.00 12.72 ? 89 PRO A CG 1 ATOM 554 C CD . PRO A 1 69 ? 11.423 -1.233 37.998 1.00 13.00 ? 89 PRO A CD 1 ATOM 555 N N . GLN A 1 70 ? 10.450 -4.637 37.166 1.00 15.13 ? 90 GLN A N 1 ATOM 556 C CA . GLN A 1 70 ? 10.605 -6.085 37.261 1.00 18.69 ? 90 GLN A CA 1 ATOM 557 C C . GLN A 1 70 ? 9.496 -6.917 36.605 1.00 19.49 ? 90 GLN A C 1 ATOM 558 O O . GLN A 1 70 ? 9.771 -8.066 36.243 1.00 23.83 ? 90 GLN A O 1 ATOM 559 C CB . GLN A 1 70 ? 10.874 -6.514 38.666 1.00 20.84 ? 90 GLN A CB 1 ATOM 560 C CG . GLN A 1 70 ? 12.323 -6.190 39.069 1.00 21.90 ? 90 GLN A CG 1 ATOM 561 C CD . GLN A 1 70 ? 12.649 -6.675 40.470 1.00 23.50 ? 90 GLN A CD 1 ATOM 562 O OE1 . GLN A 1 70 ? 12.044 -7.676 40.939 1.00 25.02 ? 90 GLN A OE1 1 ATOM 563 N NE2 . GLN A 1 70 ? 13.601 -5.988 41.160 1.00 23.31 ? 90 GLN A NE2 1 ATOM 564 N N . SER A 1 71 ? 8.310 -6.335 36.375 1.00 16.06 ? 91 SER A N 1 ATOM 565 C CA . SER A 1 71 ? 7.261 -7.031 35.613 1.00 14.76 ? 91 SER A CA 1 ATOM 566 C C . SER A 1 71 ? 6.522 -6.065 34.680 1.00 12.93 ? 91 SER A C 1 ATOM 567 O O . SER A 1 71 ? 6.007 -5.101 35.140 1.00 12.48 ? 91 SER A O 1 ATOM 568 C CB . SER A 1 71 ? 6.266 -7.667 36.594 1.00 15.44 ? 91 SER A CB 1 ATOM 569 O OG . SER A 1 71 ? 5.327 -8.448 35.891 1.00 16.27 ? 91 SER A OG 1 ATOM 570 N N . CYS A 1 72 ? 6.538 -6.313 33.365 1.00 11.56 ? 92 CYS A N 1 ATOM 571 C CA . CYS A 1 72 ? 5.783 -5.457 32.427 1.00 10.43 ? 92 CYS A CA 1 ATOM 572 C C . CYS A 1 72 ? 4.714 -6.252 31.693 1.00 10.34 ? 92 CYS A C 1 ATOM 573 O O . CYS A 1 72 ? 4.844 -7.465 31.477 1.00 9.84 ? 92 CYS A O 1 ATOM 574 C CB . CYS A 1 72 ? 6.758 -4.824 31.433 1.00 10.21 ? 92 CYS A CB 1 ATOM 575 S SG . CYS A 1 72 ? 7.645 -3.343 31.952 1.00 9.96 ? 92 CYS A SG 1 ATOM 576 N N . GLY A 1 73 ? 3.651 -5.573 31.306 1.00 9.61 ? 93 GLY A N 1 ATOM 577 C CA . GLY A 1 73 ? 2.662 -6.156 30.434 1.00 9.70 ? 93 GLY A CA 1 ATOM 578 C C . GLY A 1 73 ? 1.513 -5.224 30.244 1.00 9.20 ? 93 GLY A C 1 ATOM 579 O O . GLY A 1 73 ? 1.262 -4.432 31.102 1.00 8.96 ? 93 GLY A O 1 ATOM 580 N N . VAL A 1 74 ? 0.852 -5.327 29.099 1.00 9.04 ? 94 VAL A N 1 ATOM 581 C CA . VAL A 1 74 ? -0.322 -4.512 28.769 1.00 9.44 ? 94 VAL A CA 1 ATOM 582 C C . VAL A 1 74 ? -1.461 -5.465 28.526 1.00 9.39 ? 94 VAL A C 1 ATOM 583 O O . VAL A 1 74 ? -1.293 -6.586 27.974 1.00 8.14 ? 94 VAL A O 1 ATOM 584 C CB . VAL A 1 74 ? -0.125 -3.709 27.450 1.00 9.78 ? 94 VAL A CB 1 ATOM 585 C CG1 . VAL A 1 74 ? -1.137 -2.578 27.322 1.00 9.90 ? 94 VAL A CG1 1 ATOM 586 C CG2 . VAL A 1 74 ? 1.279 -3.196 27.271 1.00 10.12 ? 94 VAL A CG2 1 ATOM 587 N N . ASP A 1 75 ? -2.660 -5.046 28.896 1.00 10.23 ? 95 ASP A N 1 ATOM 588 C CA . ASP A 1 75 ? -3.855 -5.865 28.681 1.00 10.94 ? 95 ASP A CA 1 ATOM 589 C C . ASP A 1 75 ? -4.966 -4.898 28.286 1.00 10.93 ? 95 ASP A C 1 ATOM 590 O O . ASP A 1 75 ? -5.278 -3.982 29.063 1.00 11.46 ? 95 ASP A O 1 ATOM 591 C CB . ASP A 1 75 ? -4.206 -6.609 29.975 1.00 12.46 ? 95 ASP A CB 1 ATOM 592 C CG . ASP A 1 75 ? -5.506 -7.415 29.890 1.00 14.17 ? 95 ASP A CG 1 ATOM 593 O OD1 . ASP A 1 75 ? -6.568 -6.824 29.799 1.00 13.76 ? 95 ASP A OD1 1 ATOM 594 O OD2 . ASP A 1 75 ? -5.461 -8.696 29.949 1.00 16.70 ? 95 ASP A OD2 1 ATOM 595 N N . TYR A 1 76 ? -5.556 -5.092 27.103 1.00 10.64 ? 96 TYR A N 1 ATOM 596 C CA . TYR A 1 76 ? -6.539 -4.158 26.532 1.00 10.74 ? 96 TYR A CA 1 ATOM 597 C C . TYR A 1 76 ? -7.705 -3.823 27.471 1.00 11.36 ? 96 TYR A C 1 ATOM 598 O O . TYR A 1 76 ? -7.903 -2.654 27.839 1.00 9.71 ? 96 TYR A O 1 ATOM 599 C CB . TYR A 1 76 ? -7.110 -4.745 25.211 1.00 10.39 ? 96 TYR A CB 1 ATOM 600 C CG . TYR A 1 76 ? -8.101 -3.861 24.518 1.00 10.06 ? 96 TYR A CG 1 ATOM 601 C CD1 . TYR A 1 76 ? -7.782 -2.526 24.225 1.00 10.16 ? 96 TYR A CD1 1 ATOM 602 C CD2 . TYR A 1 76 ? -9.356 -4.338 24.149 1.00 10.75 ? 96 TYR A CD2 1 ATOM 603 C CE1 . TYR A 1 76 ? -8.696 -1.702 23.593 1.00 10.45 ? 96 TYR A CE1 1 ATOM 604 C CE2 . TYR A 1 76 ? -10.276 -3.525 23.500 1.00 10.71 ? 96 TYR A CE2 1 ATOM 605 C CZ . TYR A 1 76 ? -9.937 -2.209 23.222 1.00 10.41 ? 96 TYR A CZ 1 ATOM 606 O OH . TYR A 1 76 ? -10.835 -1.352 22.593 1.00 9.36 ? 96 TYR A OH 1 ATOM 607 N N . ASP A 1 77 ? -8.460 -4.857 27.888 1.00 11.21 ? 97 ASP A N 1 ATOM 608 C CA . ASP A 1 77 ? -9.608 -4.596 28.708 1.00 12.40 ? 97 ASP A CA 1 ATOM 609 C C . ASP A 1 77 ? -9.251 -4.083 30.101 1.00 10.96 ? 97 ASP A C 1 ATOM 610 O O . ASP A 1 77 ? -9.928 -3.239 30.609 1.00 12.25 ? 97 ASP A O 1 ATOM 611 C CB . ASP A 1 77 ? -10.521 -5.805 28.833 1.00 13.46 ? 97 ASP A CB 1 ATOM 612 C CG . ASP A 1 77 ? -11.789 -5.426 29.479 1.00 16.40 ? 97 ASP A CG 1 ATOM 613 O OD1 . ASP A 1 77 ? -12.618 -4.769 28.822 1.00 18.62 ? 97 ASP A OD1 1 ATOM 614 O OD2 . ASP A 1 77 ? -11.932 -5.636 30.676 1.00 17.29 ? 97 ASP A OD2 1 ATOM 615 N N . ARG A 1 78 ? -8.154 -4.549 30.682 1.00 10.84 ? 98 ARG A N 1 ATOM 616 C CA . ARG A 1 78 ? -7.716 -4.056 31.969 1.00 9.92 ? 98 ARG A CA 1 ATOM 617 C C . ARG A 1 78 ? -7.319 -2.589 31.928 1.00 9.32 ? 98 ARG A C 1 ATOM 618 O O . ARG A 1 78 ? -7.638 -1.824 32.845 1.00 8.75 ? 98 ARG A O 1 ATOM 619 C CB . ARG A 1 78 ? -6.490 -4.853 32.461 1.00 10.36 ? 98 ARG A CB 1 ATOM 620 C CG . ARG A 1 78 ? -6.108 -4.607 33.893 1.00 10.30 ? 98 ARG A CG 1 ATOM 621 C CD . ARG A 1 78 ? -4.806 -5.341 34.174 1.00 11.13 ? 98 ARG A CD 1 ATOM 622 N NE . ARG A 1 78 ? -3.696 -4.774 33.434 1.00 10.81 ? 98 ARG A NE 1 ATOM 623 C CZ . ARG A 1 78 ? -2.502 -5.346 33.316 1.00 10.82 ? 98 ARG A CZ 1 ATOM 624 N NH1 . ARG A 1 78 ? -2.223 -6.526 33.923 1.00 11.40 ? 98 ARG A NH1 1 ATOM 625 N NH2 . ARG A 1 78 ? -1.537 -4.732 32.633 1.00 10.93 ? 98 ARG A NH2 1 ATOM 626 N N . ASP A 1 79 ? -6.602 -2.225 30.854 1.00 8.37 ? 99 ASP A N 1 ATOM 627 C CA . ASP A 1 79 ? -5.845 -0.982 30.831 1.00 7.81 ? 99 ASP A CA 1 ATOM 628 C C . ASP A 1 79 ? -6.485 0.155 30.043 1.00 8.21 ? 99 ASP A C 1 ATOM 629 O O . ASP A 1 79 ? -6.185 1.310 30.308 1.00 9.02 ? 99 ASP A O 1 ATOM 630 C CB . ASP A 1 79 ? -4.421 -1.245 30.320 1.00 7.80 ? 99 ASP A CB 1 ATOM 631 C CG . ASP A 1 79 ? -3.644 -2.163 31.222 1.00 7.33 ? 99 ASP A CG 1 ATOM 632 O OD1 . ASP A 1 79 ? -3.885 -2.196 32.476 1.00 7.17 ? 99 ASP A OD1 1 ATOM 633 O OD2 . ASP A 1 79 ? -2.787 -2.892 30.690 1.00 7.20 ? 99 ASP A OD2 1 ATOM 634 N N . CYS A 1 80 ? -7.320 -0.151 29.061 1.00 8.39 ? 100 CYS A N 1 ATOM 635 C CA . CYS A 1 80 ? -7.802 0.873 28.150 1.00 8.51 ? 100 CYS A CA 1 ATOM 636 C C . CYS A 1 80 ? -8.611 1.967 28.865 1.00 9.54 ? 100 CYS A C 1 ATOM 637 O O . CYS A 1 80 ? -8.261 3.180 28.840 1.00 10.21 ? 100 CYS A O 1 ATOM 638 C CB . CYS A 1 80 ? -8.607 0.270 26.980 1.00 8.39 ? 100 CYS A CB 1 ATOM 639 S SG . CYS A 1 80 ? -9.025 1.468 25.653 1.00 7.72 ? 100 CYS A SG 1 ATOM 640 N N . GLY A 1 81 ? -9.643 1.510 29.534 1.00 10.54 ? 101 GLY A N 1 ATOM 641 C CA . GLY A 1 81 ? -10.523 2.369 30.294 1.00 11.69 ? 101 GLY A CA 1 ATOM 642 C C . GLY A 1 81 ? -11.768 2.740 29.518 1.00 12.39 ? 101 GLY A C 1 ATOM 643 O O . GLY A 1 81 ? -11.811 2.716 28.307 1.00 13.45 ? 101 GLY A O 1 ATOM 644 N N . SER A 1 82 ? -12.758 3.184 30.247 1.00 13.19 ? 102 SER A N 1 ATOM 645 C CA . SER A 1 82 ? -14.074 3.449 29.674 1.00 14.26 ? 102 SER A CA 1 ATOM 646 C C . SER A 1 82 ? -14.176 4.710 28.792 1.00 13.32 ? 102 SER A C 1 ATOM 647 O O . SER A 1 82 ? -15.125 4.831 27.977 1.00 16.26 ? 102 SER A O 1 ATOM 648 C CB . SER A 1 82 ? -15.077 3.522 30.850 1.00 16.59 ? 102 SER A CB 1 ATOM 649 O OG . SER A 1 82 ? -14.645 4.572 31.733 1.00 19.26 ? 102 SER A OG 1 ATOM 650 N N . ALA A 1 83 ? -13.201 5.604 28.857 1.00 10.72 ? 103 ALA A N 1 ATOM 651 C CA . ALA A 1 83 ? -13.155 6.743 27.900 1.00 10.45 ? 103 ALA A CA 1 ATOM 652 C C . ALA A 1 83 ? -12.241 6.533 26.673 1.00 9.63 ? 103 ALA A C 1 ATOM 653 O O . ALA A 1 83 ? -11.916 7.466 25.969 1.00 11.16 ? 103 ALA A O 1 ATOM 654 C CB . ALA A 1 83 ? -12.728 7.978 28.616 1.00 10.19 ? 103 ALA A CB 1 ATOM 655 N N . GLY A 1 84 ? -11.789 5.305 26.455 1.00 9.25 ? 104 GLY A N 1 ATOM 656 C CA . GLY A 1 84 ? -10.911 5.013 25.279 1.00 8.57 ? 104 GLY A CA 1 ATOM 657 C C . GLY A 1 84 ? -9.424 5.129 25.574 1.00 7.63 ? 104 GLY A C 1 ATOM 658 O O . GLY A 1 84 ? -8.989 5.598 26.650 1.00 7.77 ? 104 GLY A O 1 ATOM 659 N N . CYS A 1 85 ? -8.647 4.795 24.573 1.00 6.78 ? 105 CYS A N 1 ATOM 660 C CA . CYS A 1 85 ? -7.227 4.679 24.706 1.00 6.80 ? 105 CYS A CA 1 ATOM 661 C C . CYS A 1 85 ? -6.635 4.545 23.346 1.00 6.38 ? 105 CYS A C 1 ATOM 662 O O . CYS A 1 85 ? -7.361 4.551 22.361 1.00 6.59 ? 105 CYS A O 1 ATOM 663 C CB . CYS A 1 85 ? -6.829 3.520 25.613 1.00 6.81 ? 105 CYS A CB 1 ATOM 664 S SG . CYS A 1 85 ? -7.228 1.927 24.912 1.00 7.13 ? 105 CYS A SG 1 ATOM 665 N N . SER A 1 86 ? -5.317 4.490 23.265 1.00 6.12 ? 106 SER A N 1 ATOM 666 C CA . SER A 1 86 ? -4.666 4.399 21.969 1.00 5.96 ? 106 SER A CA 1 ATOM 667 C C . SER A 1 86 ? -5.137 3.237 21.114 1.00 6.12 ? 106 SER A C 1 ATOM 668 O O . SER A 1 86 ? -5.367 3.373 19.931 1.00 5.66 ? 106 SER A O 1 ATOM 669 C CB . SER A 1 86 ? -3.125 4.303 22.169 1.00 6.01 ? 106 SER A CB 1 ATOM 670 O OG . SER A 1 86 ? -2.840 3.203 23.044 1.00 5.87 ? 106 SER A OG 1 ATOM 671 N N . ILE A 1 87 ? -5.283 2.062 21.751 1.00 6.05 ? 107 ILE A N 1 ATOM 672 C CA . ILE A 1 87 ? -5.761 0.876 21.084 1.00 5.91 ? 107 ILE A CA 1 ATOM 673 C C . ILE A 1 87 ? -7.194 0.992 20.510 1.00 5.92 ? 107 ILE A C 1 ATOM 674 O O . ILE A 1 87 ? -7.498 0.612 19.346 1.00 5.27 ? 107 ILE A O 1 ATOM 675 C CB . ILE A 1 87 ? -5.606 -0.332 22.033 1.00 6.55 ? 107 ILE A CB 1 ATOM 676 C CG1 . ILE A 1 87 ? -4.160 -0.401 22.594 1.00 6.27 ? 107 ILE A CG1 1 ATOM 677 C CG2 . ILE A 1 87 ? -5.949 -1.632 21.326 1.00 6.40 ? 107 ILE A CG2 1 ATOM 678 C CD1 . ILE A 1 87 ? -3.054 -0.494 21.567 1.00 6.85 ? 107 ILE A CD1 1 ATOM 679 N N . SER A 1 88 ? -8.082 1.518 21.336 1.00 6.01 ? 108 SER A N 1 ATOM 680 C CA . SER A 1 88 ? -9.494 1.700 20.925 1.00 6.28 ? 108 SER A CA 1 ATOM 681 C C . SER A 1 88 ? -9.606 2.739 19.800 1.00 5.98 ? 108 SER A C 1 ATOM 682 O O . SER A 1 88 ? -10.458 2.626 18.924 1.00 6.31 ? 108 SER A O 1 ATOM 683 C CB . SER A 1 88 ? -10.351 2.039 22.175 1.00 6.80 ? 108 SER A CB 1 ATOM 684 O OG . SER A 1 88 ? -10.197 3.363 22.661 1.00 7.13 ? 108 SER A OG 1 ATOM 685 N N . ALA A 1 89 ? -8.787 3.778 19.865 1.00 5.96 ? 109 ALA A N 1 ATOM 686 C CA . ALA A 1 89 ? -8.753 4.820 18.826 1.00 5.66 ? 109 ALA A CA 1 ATOM 687 C C . ALA A 1 89 ? -8.230 4.214 17.507 1.00 5.62 ? 109 ALA A C 1 ATOM 688 O O . ALA A 1 89 ? -8.766 4.500 16.445 1.00 5.14 ? 109 ALA A O 1 ATOM 689 C CB . ALA A 1 89 ? -7.859 5.970 19.271 1.00 5.82 ? 109 ALA A CB 1 ATOM 690 N N . ILE A 1 90 ? -7.175 3.378 17.580 1.00 5.76 ? 110 ILE A N 1 ATOM 691 C CA . ILE A 1 90 ? -6.704 2.703 16.379 1.00 6.29 ? 110 ILE A CA 1 ATOM 692 C C . ILE A 1 90 ? -7.808 1.888 15.726 1.00 6.70 ? 110 ILE A C 1 ATOM 693 O O . ILE A 1 90 ? -8.038 2.013 14.504 1.00 6.50 ? 110 ILE A O 1 ATOM 694 C CB . ILE A 1 90 ? -5.375 1.940 16.576 1.00 6.14 ? 110 ILE A CB 1 ATOM 695 C CG1 . ILE A 1 90 ? -4.291 2.953 16.840 1.00 6.13 ? 110 ILE A CG1 1 ATOM 696 C CG2 . ILE A 1 90 ? -5.070 1.032 15.382 1.00 6.38 ? 110 ILE A CG2 1 ATOM 697 C CD1 . ILE A 1 90 ? -4.047 3.949 15.715 1.00 6.31 ? 110 ILE A CD1 1 ATOM 698 N N . GLN A 1 91 ? -8.524 1.114 16.518 1.00 7.62 ? 111 GLN A N 1 ATOM 699 C CA . GLN A 1 91 ? -9.680 0.395 15.981 1.00 8.71 ? 111 GLN A CA 1 ATOM 700 C C . GLN A 1 91 ? -10.739 1.332 15.365 1.00 8.77 ? 111 GLN A C 1 ATOM 701 O O . GLN A 1 91 ? -11.170 1.087 14.221 1.00 9.15 ? 111 GLN A O 1 ATOM 702 C CB . GLN A 1 91 ? -10.316 -0.449 17.059 1.00 9.32 ? 111 GLN A CB 1 ATOM 703 C CG . GLN A 1 91 ? -11.543 -1.183 16.559 1.00 10.50 ? 111 GLN A CG 1 ATOM 704 C CD . GLN A 1 91 ? -12.161 -2.032 17.645 1.00 12.21 ? 111 GLN A CD 1 ATOM 705 O OE1 . GLN A 1 91 ? -12.353 -1.579 18.773 1.00 12.66 ? 111 GLN A OE1 1 ATOM 706 N NE2 . GLN A 1 91 ? -12.558 -3.239 17.284 1.00 12.72 ? 111 GLN A NE2 1 ATOM 707 N N . ASN A 1 92 ? -11.130 2.369 16.093 1.00 8.90 ? 112 ASN A N 1 ATOM 708 C CA . ASN A 1 92 ? -12.220 3.270 15.632 1.00 9.87 ? 112 ASN A CA 1 ATOM 709 C C . ASN A 1 92 ? -11.872 3.957 14.309 1.00 9.02 ? 112 ASN A C 1 ATOM 710 O O . ASN A 1 92 ? -12.633 3.908 13.344 1.00 8.12 ? 112 ASN A O 1 ATOM 711 C CB . ASN A 1 92 ? -12.518 4.356 16.683 1.00 11.57 ? 112 ASN A CB 1 ATOM 712 C CG . ASN A 1 92 ? -13.745 5.232 16.349 1.00 15.16 ? 112 ASN A CG 1 ATOM 713 O OD1 . ASN A 1 92 ? -14.588 4.882 15.560 1.00 17.16 ? 112 ASN A OD1 1 ATOM 714 N ND2 . ASN A 1 92 ? -13.827 6.378 17.005 1.00 19.32 ? 112 ASN A ND2 1 ATOM 715 N N . TYR A 1 93 ? -10.699 4.571 14.294 1.00 8.08 ? 113 TYR A N 1 ATOM 716 C CA . TYR A 1 93 ? -10.267 5.383 13.161 1.00 7.48 ? 113 TYR A CA 1 ATOM 717 C C . TYR A 1 93 ? -9.831 4.556 11.962 1.00 7.61 ? 113 TYR A C 1 ATOM 718 O O . TYR A 1 93 ? -10.141 4.921 10.822 1.00 7.36 ? 113 TYR A O 1 ATOM 719 C CB . TYR A 1 93 ? -9.239 6.453 13.624 1.00 7.81 ? 113 TYR A CB 1 ATOM 720 C CG . TYR A 1 93 ? -9.896 7.443 14.604 1.00 7.80 ? 113 TYR A CG 1 ATOM 721 C CD1 . TYR A 1 93 ? -10.985 8.212 14.206 1.00 8.07 ? 113 TYR A CD1 1 ATOM 722 C CD2 . TYR A 1 93 ? -9.498 7.546 15.944 1.00 7.81 ? 113 TYR A CD2 1 ATOM 723 C CE1 . TYR A 1 93 ? -11.652 9.054 15.066 1.00 7.98 ? 113 TYR A CE1 1 ATOM 724 C CE2 . TYR A 1 93 ? -10.155 8.410 16.822 1.00 7.84 ? 113 TYR A CE2 1 ATOM 725 C CZ . TYR A 1 93 ? -11.241 9.145 16.390 1.00 8.47 ? 113 TYR A CZ 1 ATOM 726 O OH . TYR A 1 93 ? -11.925 9.972 17.219 1.00 8.77 ? 113 TYR A OH 1 ATOM 727 N N . THR A 1 94 ? -9.237 3.380 12.189 1.00 7.33 ? 114 THR A N 1 ATOM 728 C CA . THR A 1 94 ? -8.946 2.518 11.121 1.00 8.12 ? 114 THR A CA 1 ATOM 729 C C . THR A 1 94 ? -10.245 2.072 10.431 1.00 8.14 ? 114 THR A C 1 ATOM 730 O O . THR A 1 94 ? -10.361 2.116 9.200 1.00 8.14 ? 114 THR A O 1 ATOM 731 C CB . THR A 1 94 ? -8.160 1.271 11.579 1.00 8.12 ? 114 THR A CB 1 ATOM 732 O OG1 . THR A 1 94 ? -6.875 1.676 12.108 1.00 8.25 ? 114 THR A OG1 1 ATOM 733 C CG2 . THR A 1 94 ? -7.954 0.302 10.371 1.00 8.21 ? 114 THR A CG2 1 ATOM 734 N N . ASN A 1 95 ? -11.202 1.640 11.231 1.00 8.65 ? 115 ASN A N 1 ATOM 735 C CA . ASN A 1 95 ? -12.482 1.251 10.690 1.00 8.92 ? 115 ASN A CA 1 ATOM 736 C C . ASN A 1 95 ? -13.209 2.368 9.944 1.00 9.14 ? 115 ASN A C 1 ATOM 737 O O . ASN A 1 95 ? -13.771 2.094 8.886 1.00 9.65 ? 115 ASN A O 1 ATOM 738 C CB . ASN A 1 95 ? -13.363 0.592 11.741 1.00 9.34 ? 115 ASN A CB 1 ATOM 739 C CG . ASN A 1 95 ? -12.832 -0.795 12.132 1.00 10.12 ? 115 ASN A CG 1 ATOM 740 O OD1 . ASN A 1 95 ? -11.977 -1.338 11.476 1.00 10.00 ? 115 ASN A OD1 1 ATOM 741 N ND2 . ASN A 1 95 ? -13.287 -1.314 13.246 1.00 11.31 ? 115 ASN A ND2 1 ATOM 742 N N . ILE A 1 96 ? -13.173 3.592 10.425 1.00 9.10 ? 116 ILE A N 1 ATOM 743 C CA . ILE A 1 96 ? -13.719 4.706 9.620 1.00 9.88 ? 116 ILE A CA 1 ATOM 744 C C . ILE A 1 96 ? -13.061 4.736 8.238 1.00 9.26 ? 116 ILE A C 1 ATOM 745 O O . ILE A 1 96 ? -13.709 4.913 7.214 1.00 9.87 ? 116 ILE A O 1 ATOM 746 C CB . ILE A 1 96 ? -13.540 6.072 10.351 1.00 10.26 ? 116 ILE A CB 1 ATOM 747 C CG1 . ILE A 1 96 ? -14.531 6.134 11.524 1.00 11.05 ? 116 ILE A CG1 1 ATOM 748 C CG2 . ILE A 1 96 ? -13.636 7.225 9.379 1.00 10.74 ? 116 ILE A CG2 1 ATOM 749 C CD1 . ILE A 1 96 ? -14.316 7.283 12.496 1.00 11.31 ? 116 ILE A CD1 1 ATOM 750 N N . LEU A 1 97 ? -11.749 4.608 8.192 1.00 8.78 ? 117 LEU A N 1 ATOM 751 C CA . LEU A 1 97 ? -11.038 4.671 6.900 1.00 8.95 ? 117 LEU A CA 1 ATOM 752 C C . LEU A 1 97 ? -11.313 3.498 5.953 1.00 8.88 ? 117 LEU A C 1 ATOM 753 O O . LEU A 1 97 ? -11.284 3.672 4.718 1.00 8.58 ? 117 LEU A O 1 ATOM 754 C CB . LEU A 1 97 ? -9.547 4.823 7.143 1.00 8.90 ? 117 LEU A CB 1 ATOM 755 C CG . LEU A 1 97 ? -9.210 6.194 7.724 1.00 8.63 ? 117 LEU A CG 1 ATOM 756 C CD1 . LEU A 1 97 ? -7.770 6.194 8.213 1.00 8.81 ? 117 LEU A CD1 1 ATOM 757 C CD2 . LEU A 1 97 ? -9.361 7.287 6.672 1.00 8.84 ? 117 LEU A CD2 1 ATOM 758 N N . LEU A 1 98 ? -11.501 2.327 6.517 1.00 8.66 ? 118 LEU A N 1 ATOM 759 C CA . LEU A 1 98 ? -11.885 1.158 5.759 1.00 10.07 ? 118 LEU A CA 1 ATOM 760 C C . LEU A 1 98 ? -13.331 1.234 5.220 1.00 11.15 ? 118 LEU A C 1 ATOM 761 O O . LEU A 1 98 ? -13.596 0.741 4.121 1.00 13.66 ? 118 LEU A O 1 ATOM 762 C CB . LEU A 1 98 ? -11.791 -0.141 6.610 1.00 9.71 ? 118 LEU A CB 1 ATOM 763 C CG . LEU A 1 98 ? -10.354 -0.561 7.015 1.00 10.33 ? 118 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 98 ? -10.432 -1.676 8.027 1.00 10.47 ? 118 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 98 ? -9.574 -1.053 5.811 1.00 10.53 ? 118 LEU A CD2 1 ATOM 766 N N . GLU A 1 99 ? -14.251 1.812 5.980 1.00 12.29 ? 119 GLU A N 1 ATOM 767 C CA . GLU A 1 99 ? -15.667 1.802 5.631 1.00 14.36 ? 119 GLU A CA 1 ATOM 768 C C . GLU A 1 99 ? -16.086 3.045 4.844 1.00 13.01 ? 119 GLU A C 1 ATOM 769 O O . GLU A 1 99 ? -16.823 2.944 3.845 1.00 13.05 ? 119 GLU A O 1 ATOM 770 C CB A GLU A 1 99 ? -16.528 1.641 6.883 0.50 15.58 ? 119 GLU A CB 1 ATOM 771 C CB B GLU A 1 99 ? -16.506 1.644 6.896 0.50 15.11 ? 119 GLU A CB 1 ATOM 772 C CG A GLU A 1 99 ? -16.622 0.193 7.318 0.50 17.93 ? 119 GLU A CG 1 ATOM 773 C CG B GLU A 1 99 ? -16.116 0.401 7.677 0.50 16.81 ? 119 GLU A CG 1 ATOM 774 C CD A GLU A 1 99 ? -17.169 0.016 8.714 0.50 20.17 ? 119 GLU A CD 1 ATOM 775 C CD B GLU A 1 99 ? -17.108 0.026 8.750 0.50 18.79 ? 119 GLU A CD 1 ATOM 776 O OE1 A GLU A 1 99 ? -17.067 -1.114 9.273 0.50 24.71 ? 119 GLU A OE1 1 ATOM 777 O OE1 B GLU A 1 99 ? -16.749 0.067 9.968 0.50 20.82 ? 119 GLU A OE1 1 ATOM 778 O OE2 A GLU A 1 99 ? -17.707 0.997 9.258 0.50 20.55 ? 119 GLU A OE2 1 ATOM 779 O OE2 B GLU A 1 99 ? -18.243 -0.355 8.364 0.50 20.12 ? 119 GLU A OE2 1 ATOM 780 N N . SER A 1 100 ? -15.571 4.182 5.274 1.00 12.46 ? 120 SER A N 1 ATOM 781 C CA . SER A 1 100 ? -15.992 5.528 4.789 1.00 11.47 ? 120 SER A CA 1 ATOM 782 C C . SER A 1 100 ? -14.812 6.489 4.509 1.00 10.14 ? 120 SER A C 1 ATOM 783 O O . SER A 1 100 ? -14.695 7.581 5.079 1.00 8.79 ? 120 SER A O 1 ATOM 784 C CB . SER A 1 100 ? -16.916 6.155 5.797 1.00 12.59 ? 120 SER A CB 1 ATOM 785 O OG . SER A 1 100 ? -17.823 5.238 6.366 1.00 13.24 ? 120 SER A OG 1 ATOM 786 N N . PRO A 1 101 ? -13.922 6.092 3.610 1.00 10.01 ? 121 PRO A N 1 ATOM 787 C CA . PRO A 1 101 ? -12.772 6.934 3.337 1.00 9.50 ? 121 PRO A CA 1 ATOM 788 C C . PRO A 1 101 ? -13.155 8.223 2.615 1.00 9.97 ? 121 PRO A C 1 ATOM 789 O O . PRO A 1 101 ? -12.353 9.113 2.589 1.00 8.71 ? 121 PRO A O 1 ATOM 790 C CB . PRO A 1 101 ? -11.927 6.088 2.393 1.00 10.08 ? 121 PRO A CB 1 ATOM 791 C CG . PRO A 1 101 ? -12.857 5.165 1.777 1.00 10.13 ? 121 PRO A CG 1 ATOM 792 C CD . PRO A 1 101 ? -13.930 4.891 2.773 1.00 10.07 ? 121 PRO A CD 1 ATOM 793 N N . ASN A 1 102 ? -14.348 8.262 1.984 1.00 10.55 ? 122 ASN A N 1 ATOM 794 C CA . ASN A 1 102 ? -14.801 9.474 1.308 1.00 11.90 ? 122 ASN A CA 1 ATOM 795 C C . ASN A 1 102 ? -15.755 10.316 2.147 1.00 11.31 ? 122 ASN A C 1 ATOM 796 O O . ASN A 1 102 ? -16.256 11.325 1.655 1.00 10.44 ? 122 ASN A O 1 ATOM 797 C CB . ASN A 1 102 ? -15.431 9.083 -0.026 1.00 13.56 ? 122 ASN A CB 1 ATOM 798 C CG . ASN A 1 102 ? -14.452 8.387 -0.945 1.00 15.04 ? 122 ASN A CG 1 ATOM 799 O OD1 . ASN A 1 102 ? -13.311 8.805 -1.078 1.00 19.97 ? 122 ASN A OD1 1 ATOM 800 N ND2 . ASN A 1 102 ? -14.882 7.340 -1.591 1.00 15.99 ? 122 ASN A ND2 1 ATOM 801 N N . GLY A 1 103 ? -15.979 9.915 3.407 1.00 10.51 ? 123 GLY A N 1 ATOM 802 C CA . GLY A 1 103 ? -16.848 10.623 4.320 1.00 10.30 ? 123 GLY A CA 1 ATOM 803 C C . GLY A 1 103 ? -16.149 11.715 5.096 1.00 10.67 ? 123 GLY A C 1 ATOM 804 O O . GLY A 1 103 ? -14.943 11.918 5.015 1.00 9.72 ? 123 GLY A O 1 ATOM 805 N N . SER A 1 104 ? -16.939 12.475 5.855 1.00 10.98 ? 124 SER A N 1 ATOM 806 C CA . SER A 1 104 ? -16.398 13.651 6.523 1.00 10.86 ? 124 SER A CA 1 ATOM 807 C C . SER A 1 104 ? -15.517 13.328 7.700 1.00 10.97 ? 124 SER A C 1 ATOM 808 O O . SER A 1 104 ? -14.797 14.214 8.180 1.00 11.38 ? 124 SER A O 1 ATOM 809 C CB . SER A 1 104 ? -17.510 14.573 7.007 1.00 12.11 ? 124 SER A CB 1 ATOM 810 O OG . SER A 1 104 ? -18.360 13.916 7.950 1.00 14.31 ? 124 SER A OG 1 ATOM 811 N N . GLU A 1 105 ? -15.614 12.101 8.217 1.00 10.56 ? 125 GLU A N 1 ATOM 812 C CA . GLU A 1 105 ? -14.753 11.659 9.342 1.00 10.79 ? 125 GLU A CA 1 ATOM 813 C C . GLU A 1 105 ? -13.369 11.156 8.927 1.00 10.12 ? 125 GLU A C 1 ATOM 814 O O . GLU A 1 105 ? -12.495 10.992 9.768 1.00 9.40 ? 125 GLU A O 1 ATOM 815 C CB . GLU A 1 105 ? -15.454 10.588 10.151 1.00 11.94 ? 125 GLU A CB 1 ATOM 816 C CG . GLU A 1 105 ? -16.770 11.030 10.750 1.00 13.35 ? 125 GLU A CG 1 ATOM 817 C CD . GLU A 1 105 ? -17.357 10.040 11.738 0.50 14.11 ? 125 GLU A CD 1 ATOM 818 O OE1 . GLU A 1 105 ? -17.037 8.845 11.671 0.50 16.06 ? 125 GLU A OE1 1 ATOM 819 O OE2 . GLU A 1 105 ? -18.170 10.466 12.584 0.50 15.40 ? 125 GLU A OE2 1 ATOM 820 N N . ALA A 1 106 ? -13.159 10.930 7.624 1.00 9.36 ? 126 ALA A N 1 ATOM 821 C CA . ALA A 1 106 ? -11.883 10.363 7.132 1.00 8.65 ? 126 ALA A CA 1 ATOM 822 C C . ALA A 1 106 ? -10.667 11.202 7.433 1.00 8.00 ? 126 ALA A C 1 ATOM 823 O O . ALA A 1 106 ? -9.626 10.666 7.825 1.00 6.91 ? 126 ALA A O 1 ATOM 824 C CB . ALA A 1 106 ? -11.997 10.094 5.638 1.00 8.73 ? 126 ALA A CB 1 ATOM 825 N N . LEU A 1 107 ? -10.785 12.528 7.224 1.00 8.00 ? 127 LEU A N 1 ATOM 826 C CA . LEU A 1 107 ? -9.669 13.404 7.428 1.00 8.46 ? 127 LEU A CA 1 ATOM 827 C C . LEU A 1 107 ? -9.087 13.290 8.863 1.00 7.99 ? 127 LEU A C 1 ATOM 828 O O . LEU A 1 107 ? -7.900 13.058 9.049 1.00 8.17 ? 127 LEU A O 1 ATOM 829 C CB . LEU A 1 107 ? -10.090 14.849 7.120 1.00 9.35 ? 127 LEU A CB 1 ATOM 830 C CG . LEU A 1 107 ? -9.185 15.962 7.651 1.00 10.67 ? 127 LEU A CG 1 ATOM 831 C CD1 . LEU A 1 107 ? -7.787 15.948 7.015 1.00 10.33 ? 127 LEU A CD1 1 ATOM 832 C CD2 . LEU A 1 107 ? -9.913 17.306 7.442 1.00 11.49 ? 127 LEU A CD2 1 ATOM 833 N N . ASN A 1 108 ? -9.924 13.436 9.869 1.00 7.28 ? 128 ASN A N 1 ATOM 834 C CA . ASN A 1 108 ? -9.459 13.345 11.285 1.00 7.21 ? 128 ASN A CA 1 ATOM 835 C C . ASN A 1 108 ? -9.055 11.930 11.606 1.00 7.17 ? 128 ASN A C 1 ATOM 836 O O . ASN A 1 108 ? -8.000 11.730 12.272 1.00 6.75 ? 128 ASN A O 1 ATOM 837 C CB . ASN A 1 108 ? -10.514 13.867 12.266 1.00 7.68 ? 128 ASN A CB 1 ATOM 838 C CG . ASN A 1 108 ? -10.657 15.382 12.213 1.00 8.10 ? 128 ASN A CG 1 ATOM 839 O OD1 . ASN A 1 108 ? -9.964 16.065 11.466 1.00 8.44 ? 128 ASN A OD1 1 ATOM 840 N ND2 . ASN A 1 108 ? -11.546 15.911 13.018 1.00 8.76 ? 128 ASN A ND2 1 ATOM 841 N N . ALA A 1 109 ? -9.767 10.938 11.049 1.00 7.17 ? 129 ALA A N 1 ATOM 842 C CA . ALA A 1 109 ? -9.324 9.540 11.271 1.00 7.04 ? 129 ALA A CA 1 ATOM 843 C C . ALA A 1 109 ? -7.864 9.305 10.851 1.00 6.87 ? 129 ALA A C 1 ATOM 844 O O . ALA A 1 109 ? -7.084 8.686 11.583 1.00 6.71 ? 129 ALA A O 1 ATOM 845 C CB . ALA A 1 109 ? -10.229 8.592 10.534 1.00 7.31 ? 129 ALA A CB 1 ATOM 846 N N . LEU A 1 110 ? -7.516 9.708 9.624 1.00 6.93 ? 130 LEU A N 1 ATOM 847 C CA . LEU A 1 110 ? -6.162 9.565 9.131 1.00 7.02 ? 130 LEU A CA 1 ATOM 848 C C . LEU A 1 110 ? -5.169 10.320 9.961 1.00 7.14 ? 130 LEU A C 1 ATOM 849 O O . LEU A 1 110 ? -4.096 9.799 10.326 1.00 7.19 ? 130 LEU A O 1 ATOM 850 C CB . LEU A 1 110 ? -6.056 9.924 7.651 1.00 7.53 ? 130 LEU A CB 1 ATOM 851 C CG . LEU A 1 110 ? -4.701 9.766 6.986 1.00 7.78 ? 130 LEU A CG 1 ATOM 852 C CD1 . LEU A 1 110 ? -4.108 8.364 7.192 1.00 8.55 ? 130 LEU A CD1 1 ATOM 853 C CD2 . LEU A 1 110 ? -4.920 10.037 5.522 1.00 8.83 ? 130 LEU A CD2 1 ATOM 854 N N . LYS A 1 111 ? -5.510 11.540 10.360 1.00 7.12 ? 131 LYS A N 1 ATOM 855 C CA . LYS A 1 111 ? -4.609 12.299 11.239 1.00 7.10 ? 131 LYS A CA 1 ATOM 856 C C . LYS A 1 111 ? -4.395 11.578 12.575 1.00 6.89 ? 131 LYS A C 1 ATOM 857 O O . LYS A 1 111 ? -3.278 11.511 13.078 1.00 6.08 ? 131 LYS A O 1 ATOM 858 C CB . LYS A 1 111 ? -5.149 13.743 11.431 1.00 7.28 ? 131 LYS A CB 1 ATOM 859 C CG . LYS A 1 111 ? -5.139 14.520 10.101 1.00 7.96 ? 131 LYS A CG 1 ATOM 860 C CD . LYS A 1 111 ? -5.202 16.044 10.285 1.00 8.46 ? 131 LYS A CD 1 ATOM 861 C CE . LYS A 1 111 ? -6.571 16.502 10.707 1.00 8.98 ? 131 LYS A CE 1 ATOM 862 N NZ . LYS A 1 111 ? -6.662 17.996 10.644 1.00 9.99 ? 131 LYS A NZ 1 ATOM 863 N N . PHE A 1 112 ? -5.459 10.992 13.106 1.00 6.28 ? 132 PHE A N 1 ATOM 864 C CA . PHE A 1 112 ? -5.357 10.211 14.299 1.00 6.45 ? 132 PHE A CA 1 ATOM 865 C C . PHE A 1 112 ? -4.465 8.995 14.159 1.00 6.10 ? 132 PHE A C 1 ATOM 866 O O . PHE A 1 112 ? -3.660 8.750 15.058 1.00 6.27 ? 132 PHE A O 1 ATOM 867 C CB . PHE A 1 112 ? -6.748 9.786 14.825 1.00 6.57 ? 132 PHE A CB 1 ATOM 868 C CG . PHE A 1 112 ? -7.471 10.868 15.634 1.00 6.76 ? 132 PHE A CG 1 ATOM 869 C CD1 . PHE A 1 112 ? -6.896 11.427 16.793 1.00 6.87 ? 132 PHE A CD1 1 ATOM 870 C CD2 . PHE A 1 112 ? -8.773 11.255 15.283 1.00 6.71 ? 132 PHE A CD2 1 ATOM 871 C CE1 . PHE A 1 112 ? -7.591 12.385 17.538 1.00 6.79 ? 132 PHE A CE1 1 ATOM 872 C CE2 . PHE A 1 112 ? -9.453 12.203 16.036 1.00 6.83 ? 132 PHE A CE2 1 ATOM 873 C CZ . PHE A 1 112 ? -8.861 12.762 17.143 1.00 6.43 ? 132 PHE A CZ 1 ATOM 874 N N . VAL A 1 113 ? -4.639 8.205 13.084 1.00 5.70 ? 133 VAL A N 1 ATOM 875 C CA . VAL A 1 113 ? -3.860 7.004 12.887 1.00 5.46 ? 133 VAL A CA 1 ATOM 876 C C . VAL A 1 113 ? -2.380 7.342 12.799 1.00 5.47 ? 133 VAL A C 1 ATOM 877 O O . VAL A 1 113 ? -1.570 6.677 13.432 1.00 5.41 ? 133 VAL A O 1 ATOM 878 C CB . VAL A 1 113 ? -4.368 6.213 11.673 1.00 5.30 ? 133 VAL A CB 1 ATOM 879 C CG1 . VAL A 1 113 ? -3.428 5.120 11.258 1.00 5.51 ? 133 VAL A CG1 1 ATOM 880 C CG2 . VAL A 1 113 ? -5.734 5.640 11.961 1.00 5.30 ? 133 VAL A CG2 1 ATOM 881 N N . VAL A 1 114 ? -2.047 8.347 11.986 1.00 5.38 ? 134 VAL A N 1 ATOM 882 C CA . VAL A 1 114 ? -0.667 8.783 11.792 1.00 5.36 ? 134 VAL A CA 1 ATOM 883 C C . VAL A 1 114 ? -0.014 9.126 13.134 1.00 5.12 ? 134 VAL A C 1 ATOM 884 O O . VAL A 1 114 ? 1.110 8.706 13.447 1.00 5.35 ? 134 VAL A O 1 ATOM 885 C CB . VAL A 1 114 ? -0.632 10.015 10.836 1.00 5.53 ? 134 VAL A CB 1 ATOM 886 C CG1 . VAL A 1 114 ? 0.728 10.697 10.873 1.00 5.48 ? 134 VAL A CG1 1 ATOM 887 C CG2 . VAL A 1 114 ? -0.948 9.612 9.393 1.00 5.56 ? 134 VAL A CG2 1 ATOM 888 N N . HIS A 1 115 ? -0.746 9.859 13.966 1.00 5.05 ? 135 HIS A N 1 ATOM 889 C CA . HIS A 1 115 ? -0.215 10.316 15.259 1.00 4.62 ? 135 HIS A CA 1 ATOM 890 C C . HIS A 1 115 ? -0.107 9.159 16.271 1.00 4.54 ? 135 HIS A C 1 ATOM 891 O O . HIS A 1 115 ? 0.907 9.030 16.945 1.00 4.18 ? 135 HIS A O 1 ATOM 892 C CB . HIS A 1 115 ? -1.175 11.349 15.877 1.00 4.71 ? 135 HIS A CB 1 ATOM 893 C CG . HIS A 1 115 ? -0.635 11.965 17.126 1.00 4.49 ? 135 HIS A CG 1 ATOM 894 N ND1 . HIS A 1 115 ? 0.278 12.995 17.125 1.00 4.68 ? 135 HIS A ND1 1 ATOM 895 C CD2 . HIS A 1 115 ? -0.813 11.631 18.413 1.00 4.70 ? 135 HIS A CD2 1 ATOM 896 C CE1 . HIS A 1 115 ? 0.584 13.311 18.362 1.00 4.51 ? 135 HIS A CE1 1 ATOM 897 N NE2 . HIS A 1 115 ? -0.057 12.481 19.159 1.00 4.46 ? 135 HIS A NE2 1 ATOM 898 N N . ILE A 1 116 ? -1.198 8.418 16.414 1.00 4.53 ? 136 ILE A N 1 ATOM 899 C CA . ILE A 1 116 ? -1.326 7.416 17.480 1.00 4.91 ? 136 ILE A CA 1 ATOM 900 C C . ILE A 1 116 ? -0.453 6.222 17.244 1.00 4.98 ? 136 ILE A C 1 ATOM 901 O O . ILE A 1 116 ? 0.122 5.728 18.201 1.00 5.16 ? 136 ILE A O 1 ATOM 902 C CB . ILE A 1 116 ? -2.774 7.045 17.764 1.00 5.01 ? 136 ILE A CB 1 ATOM 903 C CG1 . ILE A 1 116 ? -3.476 8.311 18.285 1.00 5.33 ? 136 ILE A CG1 1 ATOM 904 C CG2 . ILE A 1 116 ? -2.857 5.921 18.784 1.00 4.93 ? 136 ILE A CG2 1 ATOM 905 C CD1 . ILE A 1 116 ? -4.960 8.266 18.360 1.00 5.46 ? 136 ILE A CD1 1 ATOM 906 N N . ILE A 1 117 ? -0.238 5.809 16.004 1.00 4.94 ? 137 ILE A N 1 ATOM 907 C CA . ILE A 1 117 ? 0.727 4.725 15.792 1.00 4.97 ? 137 ILE A CA 1 ATOM 908 C C . ILE A 1 117 ? 2.107 5.156 16.254 1.00 4.97 ? 137 ILE A C 1 ATOM 909 O O . ILE A 1 117 ? 2.828 4.379 16.904 1.00 5.03 ? 137 ILE A O 1 ATOM 910 C CB . ILE A 1 117 ? 0.729 4.165 14.337 1.00 5.00 ? 137 ILE A CB 1 ATOM 911 C CG1 . ILE A 1 117 ? -0.559 3.452 14.090 1.00 5.08 ? 137 ILE A CG1 1 ATOM 912 C CG2 . ILE A 1 117 ? 1.857 3.174 14.170 1.00 5.10 ? 137 ILE A CG2 1 ATOM 913 C CD1 . ILE A 1 117 ? -0.729 2.860 12.717 1.00 5.51 ? 137 ILE A CD1 1 ATOM 914 N N . GLY A 1 118 ? 2.494 6.408 16.043 1.00 4.94 ? 138 GLY A N 1 ATOM 915 C CA . GLY A 1 118 ? 3.698 6.890 16.669 1.00 4.67 ? 138 GLY A CA 1 ATOM 916 C C . GLY A 1 118 ? 3.671 6.865 18.201 1.00 4.70 ? 138 GLY A C 1 ATOM 917 O O . GLY A 1 118 ? 4.672 6.406 18.824 1.00 4.30 ? 138 GLY A O 1 ATOM 918 N N . ASP A 1 119 ? 2.585 7.382 18.837 1.00 4.83 ? 139 ASP A N 1 ATOM 919 C CA . ASP A 1 119 ? 2.522 7.416 20.331 1.00 4.94 ? 139 ASP A CA 1 ATOM 920 C C . ASP A 1 119 ? 2.631 6.043 20.948 1.00 5.21 ? 139 ASP A C 1 ATOM 921 O O . ASP A 1 119 ? 3.259 5.877 21.963 1.00 5.52 ? 139 ASP A O 1 ATOM 922 C CB . ASP A 1 119 ? 1.226 8.097 20.841 1.00 4.92 ? 139 ASP A CB 1 ATOM 923 C CG . ASP A 1 119 ? 1.386 9.606 21.035 1.00 4.76 ? 139 ASP A CG 1 ATOM 924 O OD1 . ASP A 1 119 ? 2.544 10.059 21.060 1.00 5.25 ? 139 ASP A OD1 1 ATOM 925 O OD2 . ASP A 1 119 ? 0.379 10.333 21.177 1.00 4.88 ? 139 ASP A OD2 1 ATOM 926 N N . ILE A 1 120 ? 2.011 5.032 20.319 1.00 5.59 ? 140 ILE A N 1 ATOM 927 C CA . ILE A 1 120 ? 2.072 3.645 20.813 1.00 5.76 ? 140 ILE A CA 1 ATOM 928 C C . ILE A 1 120 ? 3.514 3.163 20.941 1.00 5.73 ? 140 ILE A C 1 ATOM 929 O O . ILE A 1 120 ? 3.837 2.414 21.849 1.00 6.48 ? 140 ILE A O 1 ATOM 930 C CB . ILE A 1 120 ? 1.239 2.737 19.932 1.00 5.93 ? 140 ILE A CB 1 ATOM 931 C CG1 . ILE A 1 120 ? -0.262 3.057 20.126 1.00 5.83 ? 140 ILE A CG1 1 ATOM 932 C CG2 . ILE A 1 120 ? 1.515 1.261 20.186 1.00 6.31 ? 140 ILE A CG2 1 ATOM 933 C CD1 . ILE A 1 120 ? -1.110 2.299 19.148 1.00 6.34 ? 140 ILE A CD1 1 ATOM 934 N N . HIS A 1 121 ? 4.385 3.639 20.078 1.00 5.68 ? 141 HIS A N 1 ATOM 935 C CA . HIS A 1 121 ? 5.803 3.232 20.128 1.00 5.68 ? 141 HIS A CA 1 ATOM 936 C C . HIS A 1 121 ? 6.664 3.969 21.110 1.00 5.76 ? 141 HIS A C 1 ATOM 937 O O . HIS A 1 121 ? 7.813 3.635 21.213 1.00 5.72 ? 141 HIS A O 1 ATOM 938 C CB . HIS A 1 121 ? 6.354 3.247 18.687 1.00 5.63 ? 141 HIS A CB 1 ATOM 939 C CG . HIS A 1 121 ? 5.830 2.125 17.868 1.00 5.56 ? 141 HIS A CG 1 ATOM 940 N ND1 . HIS A 1 121 ? 4.595 2.165 17.254 1.00 5.66 ? 141 HIS A ND1 1 ATOM 941 C CD2 . HIS A 1 121 ? 6.363 0.914 17.576 1.00 5.64 ? 141 HIS A CD2 1 ATOM 942 C CE1 . HIS A 1 121 ? 4.388 1.007 16.642 1.00 5.58 ? 141 HIS A CE1 1 ATOM 943 N NE2 . HIS A 1 121 ? 5.458 0.261 16.795 1.00 5.66 ? 141 HIS A NE2 1 ATOM 944 N N . GLN A 1 122 ? 6.121 4.939 21.852 1.00 5.89 ? 142 GLN A N 1 ATOM 945 C CA . GLN A 1 122 ? 6.826 5.627 22.901 1.00 6.30 ? 142 GLN A CA 1 ATOM 946 C C . GLN A 1 122 ? 6.512 4.806 24.187 1.00 6.29 ? 142 GLN A C 1 ATOM 947 O O . GLN A 1 122 ? 5.366 4.755 24.596 1.00 6.03 ? 142 GLN A O 1 ATOM 948 C CB . GLN A 1 122 ? 6.391 7.103 23.015 1.00 6.41 ? 142 GLN A CB 1 ATOM 949 C CG . GLN A 1 122 ? 7.421 8.033 23.646 1.00 6.45 ? 142 GLN A CG 1 ATOM 950 C CD . GLN A 1 122 ? 7.605 7.869 25.163 1.00 6.75 ? 142 GLN A CD 1 ATOM 951 O OE1 . GLN A 1 122 ? 7.929 6.767 25.669 1.00 7.28 ? 142 GLN A OE1 1 ATOM 952 N NE2 . GLN A 1 122 ? 7.422 8.957 25.906 1.00 6.74 ? 142 GLN A NE2 1 ATOM 953 N N . PRO A 1 123 ? 7.522 4.084 24.773 1.00 6.57 ? 143 PRO A N 1 ATOM 954 C CA . PRO A 1 123 ? 7.241 3.120 25.839 1.00 6.27 ? 143 PRO A CA 1 ATOM 955 C C . PRO A 1 123 ? 6.381 3.674 26.994 1.00 6.06 ? 143 PRO A C 1 ATOM 956 O O . PRO A 1 123 ? 5.478 3.007 27.484 1.00 5.83 ? 143 PRO A O 1 ATOM 957 C CB . PRO A 1 123 ? 8.629 2.738 26.348 1.00 6.30 ? 143 PRO A CB 1 ATOM 958 C CG . PRO A 1 123 ? 9.507 2.873 25.126 1.00 6.31 ? 143 PRO A CG 1 ATOM 959 C CD . PRO A 1 123 ? 8.959 4.069 24.394 1.00 6.70 ? 143 PRO A CD 1 ATOM 960 N N . LEU A 1 124 ? 6.599 4.937 27.383 1.00 6.29 ? 144 LEU A N 1 ATOM 961 C CA . LEU A 1 124 ? 5.831 5.516 28.487 1.00 6.06 ? 144 LEU A CA 1 ATOM 962 C C . LEU A 1 124 ? 4.412 5.884 28.138 1.00 5.75 ? 144 LEU A C 1 ATOM 963 O O . LEU A 1 124 ? 3.633 6.181 29.024 1.00 5.84 ? 144 LEU A O 1 ATOM 964 C CB . LEU A 1 124 ? 6.572 6.724 29.083 1.00 6.32 ? 144 LEU A CB 1 ATOM 965 C CG . LEU A 1 124 ? 7.736 6.365 29.973 1.00 6.80 ? 144 LEU A CG 1 ATOM 966 C CD1 . LEU A 1 124 ? 8.550 7.636 30.275 1.00 7.13 ? 144 LEU A CD1 1 ATOM 967 C CD2 . LEU A 1 124 ? 7.288 5.707 31.277 1.00 6.60 ? 144 LEU A CD2 1 ATOM 968 N N . HIS A 1 125 ? 4.042 5.831 26.865 1.00 5.79 ? 145 HIS A N 1 ATOM 969 C CA . HIS A 1 125 ? 2.619 5.880 26.436 1.00 5.58 ? 145 HIS A CA 1 ATOM 970 C C . HIS A 1 125 ? 1.923 4.530 26.571 1.00 5.86 ? 145 HIS A C 1 ATOM 971 O O . HIS A 1 125 ? 0.737 4.399 26.200 1.00 5.58 ? 145 HIS A O 1 ATOM 972 C CB . HIS A 1 125 ? 2.551 6.345 24.976 1.00 6.03 ? 145 HIS A CB 1 ATOM 973 C CG . HIS A 1 125 ? 2.657 7.829 24.809 1.00 6.24 ? 145 HIS A CG 1 ATOM 974 N ND1 . HIS A 1 125 ? 1.595 8.600 24.393 1.00 6.39 ? 145 HIS A ND1 1 ATOM 975 C CD2 . HIS A 1 125 ? 3.680 8.688 25.028 1.00 6.53 ? 145 HIS A CD2 1 ATOM 976 C CE1 . HIS A 1 125 ? 1.934 9.874 24.410 1.00 6.51 ? 145 HIS A CE1 1 ATOM 977 N NE2 . HIS A 1 125 ? 3.209 9.954 24.751 1.00 6.65 ? 145 HIS A NE2 1 ATOM 978 N N . ASP A 1 126 ? 2.641 3.542 27.098 1.00 5.69 ? 146 ASP A N 1 ATOM 979 C CA . ASP A 1 126 ? 2.105 2.156 27.338 1.00 5.93 ? 146 ASP A CA 1 ATOM 980 C C . ASP A 1 126 ? 2.406 1.797 28.803 1.00 6.05 ? 146 ASP A C 1 ATOM 981 O O . ASP A 1 126 ? 2.782 0.678 29.112 1.00 5.78 ? 146 ASP A O 1 ATOM 982 C CB . ASP A 1 126 ? 2.752 1.142 26.433 1.00 5.84 ? 146 ASP A CB 1 ATOM 983 C CG . ASP A 1 126 ? 2.651 1.535 24.977 1.00 5.73 ? 146 ASP A CG 1 ATOM 984 O OD1 . ASP A 1 126 ? 1.553 1.394 24.441 1.00 5.73 ? 146 ASP A OD1 1 ATOM 985 O OD2 . ASP A 1 126 ? 3.691 1.925 24.372 1.00 6.03 ? 146 ASP A OD2 1 ATOM 986 N N . GLU A 1 127 ? 2.193 2.766 29.701 1.00 6.13 ? 147 GLU A N 1 ATOM 987 C CA . GLU A 1 127 ? 2.573 2.582 31.124 1.00 6.41 ? 147 GLU A CA 1 ATOM 988 C C . GLU A 1 127 ? 1.777 3.505 32.029 1.00 6.76 ? 147 GLU A C 1 ATOM 989 O O . GLU A 1 127 ? 1.717 4.692 31.762 1.00 6.36 ? 147 GLU A O 1 ATOM 990 C CB . GLU A 1 127 ? 4.071 2.882 31.277 1.00 6.65 ? 147 GLU A CB 1 ATOM 991 C CG . GLU A 1 127 ? 4.604 2.736 32.704 1.00 6.70 ? 147 GLU A CG 1 ATOM 992 C CD . GLU A 1 127 ? 4.114 1.498 33.427 1.00 6.98 ? 147 GLU A CD 1 ATOM 993 O OE1 . GLU A 1 127 ? 4.283 0.397 32.847 1.00 7.11 ? 147 GLU A OE1 1 ATOM 994 O OE2 . GLU A 1 127 ? 3.618 1.583 34.596 1.00 6.88 ? 147 GLU A OE2 1 ATOM 995 N N . ASN A 1 128 ? 1.207 2.969 33.100 1.00 7.47 ? 148 ASN A N 1 ATOM 996 C CA . ASN A 1 128 ? 0.386 3.756 34.020 1.00 8.41 ? 148 ASN A CA 1 ATOM 997 C C . ASN A 1 128 ? 1.201 4.599 35.021 1.00 8.48 ? 148 ASN A C 1 ATOM 998 O O . ASN A 1 128 ? 0.802 5.747 35.311 1.00 8.63 ? 148 ASN A O 1 ATOM 999 C CB . ASN A 1 128 ? -0.568 2.856 34.796 1.00 8.82 ? 148 ASN A CB 1 ATOM 1000 C CG . ASN A 1 128 ? -1.564 3.638 35.622 1.00 9.84 ? 148 ASN A CG 1 ATOM 1001 O OD1 . ASN A 1 128 ? -2.313 4.445 35.133 1.00 9.29 ? 148 ASN A OD1 1 ATOM 1002 N ND2 . ASN A 1 128 ? -1.592 3.351 36.891 1.00 11.04 ? 148 ASN A ND2 1 ATOM 1003 N N . LEU A 1 129 ? 2.353 4.072 35.460 1.00 8.84 ? 149 LEU A N 1 ATOM 1004 C CA . LEU A 1 129 ? 3.119 4.628 36.599 1.00 9.71 ? 149 LEU A CA 1 ATOM 1005 C C . LEU A 1 129 ? 3.338 6.124 36.462 1.00 9.75 ? 149 LEU A C 1 ATOM 1006 O O . LEU A 1 129 ? 3.903 6.580 35.478 1.00 9.71 ? 149 LEU A O 1 ATOM 1007 C CB . LEU A 1 129 ? 4.469 3.914 36.779 1.00 10.45 ? 149 LEU A CB 1 ATOM 1008 C CG . LEU A 1 129 ? 5.362 4.433 37.896 1.00 11.07 ? 149 LEU A CG 1 ATOM 1009 C CD1 . LEU A 1 129 ? 4.787 4.080 39.264 1.00 11.26 ? 149 LEU A CD1 1 ATOM 1010 C CD2 . LEU A 1 129 ? 6.750 3.848 37.694 1.00 11.90 ? 149 LEU A CD2 1 ATOM 1011 N N . GLU A 1 130 ? 2.873 6.870 37.477 1.00 10.49 ? 150 GLU A N 1 ATOM 1012 C CA . GLU A 1 130 ? 3.078 8.310 37.587 1.00 10.59 ? 150 GLU A CA 1 ATOM 1013 C C . GLU A 1 130 ? 2.609 9.029 36.296 1.00 9.79 ? 150 GLU A C 1 ATOM 1014 O O . GLU A 1 130 ? 3.288 9.860 35.748 1.00 9.08 ? 150 GLU A O 1 ATOM 1015 C CB A GLU A 1 130 ? 4.550 8.614 37.894 0.60 11.29 ? 150 GLU A CB 1 ATOM 1016 C CB B GLU A 1 130 ? 4.553 8.593 37.893 0.40 10.99 ? 150 GLU A CB 1 ATOM 1017 C CG A GLU A 1 130 ? 5.043 8.090 39.239 0.60 12.48 ? 150 GLU A CG 1 ATOM 1018 C CG B GLU A 1 130 ? 4.970 8.165 39.284 0.40 11.73 ? 150 GLU A CG 1 ATOM 1019 C CD A GLU A 1 130 ? 4.609 8.959 40.392 0.60 13.06 ? 150 GLU A CD 1 ATOM 1020 C CD B GLU A 1 130 ? 4.442 9.138 40.283 0.40 12.13 ? 150 GLU A CD 1 ATOM 1021 O OE1 A GLU A 1 130 ? 5.097 8.682 41.516 0.60 14.00 ? 150 GLU A OE1 1 ATOM 1022 O OE1 B GLU A 1 130 ? 4.563 10.352 40.008 0.40 12.56 ? 150 GLU A OE1 1 ATOM 1023 O OE2 A GLU A 1 130 ? 3.776 9.901 40.183 0.60 13.85 ? 150 GLU A OE2 1 ATOM 1024 O OE2 B GLU A 1 130 ? 3.856 8.686 41.290 0.40 12.75 ? 150 GLU A OE2 1 ATOM 1025 N N . ALA A 1 131 ? 1.411 8.679 35.832 1.00 9.71 ? 151 ALA A N 1 ATOM 1026 C CA . ALA A 1 131 ? 0.819 9.273 34.649 1.00 9.77 ? 151 ALA A CA 1 ATOM 1027 C C . ALA A 1 131 ? 1.745 9.092 33.430 1.00 8.97 ? 151 ALA A C 1 ATOM 1028 O O . ALA A 1 131 ? 2.028 10.020 32.728 1.00 10.18 ? 151 ALA A O 1 ATOM 1029 C CB . ALA A 1 131 ? 0.500 10.725 34.916 1.00 10.06 ? 151 ALA A CB 1 ATOM 1030 N N . GLY A 1 132 ? 2.209 7.874 33.170 1.00 8.64 ? 152 GLY A N 1 ATOM 1031 C CA . GLY A 1 132 ? 3.114 7.633 32.058 1.00 8.91 ? 152 GLY A CA 1 ATOM 1032 C C . GLY A 1 132 ? 4.452 8.310 32.267 1.00 8.65 ? 152 GLY A C 1 ATOM 1033 O O . GLY A 1 132 ? 5.071 8.783 31.321 1.00 8.93 ? 152 GLY A O 1 ATOM 1034 N N . GLY A 1 133 ? 4.889 8.360 33.505 1.00 8.97 ? 153 GLY A N 1 ATOM 1035 C CA . GLY A 1 133 ? 6.157 9.001 33.853 1.00 9.20 ? 153 GLY A CA 1 ATOM 1036 C C . GLY A 1 133 ? 6.124 10.525 33.952 1.00 9.71 ? 153 GLY A C 1 ATOM 1037 O O . GLY A 1 133 ? 7.177 11.112 34.212 1.00 8.66 ? 153 GLY A O 1 ATOM 1038 N N . ASN A 1 134 ? 4.947 11.162 33.783 1.00 9.35 ? 154 ASN A N 1 ATOM 1039 C CA . ASN A 1 134 ? 4.861 12.631 33.873 1.00 10.80 ? 154 ASN A CA 1 ATOM 1040 C C . ASN A 1 134 ? 5.150 13.117 35.316 1.00 11.76 ? 154 ASN A C 1 ATOM 1041 O O . ASN A 1 134 ? 5.663 14.228 35.518 1.00 11.94 ? 154 ASN A O 1 ATOM 1042 C CB . ASN A 1 134 ? 3.494 13.142 33.425 1.00 12.01 ? 154 ASN A CB 1 ATOM 1043 C CG . ASN A 1 134 ? 3.415 13.291 31.913 1.00 12.47 ? 154 ASN A CG 1 ATOM 1044 O OD1 . ASN A 1 134 ? 4.071 14.158 31.345 1.00 13.10 ? 154 ASN A OD1 1 ATOM 1045 N ND2 . ASN A 1 134 ? 2.693 12.400 31.260 1.00 12.53 ? 154 ASN A ND2 1 ATOM 1046 N N . GLY A 1 135 ? 4.808 12.265 36.281 1.00 11.44 ? 155 GLY A N 1 ATOM 1047 C CA . GLY A 1 135 ? 5.029 12.555 37.676 1.00 12.40 ? 155 GLY A CA 1 ATOM 1048 C C . GLY A 1 135 ? 6.402 12.239 38.227 1.00 13.19 ? 155 GLY A C 1 ATOM 1049 O O . GLY A 1 135 ? 6.630 12.459 39.425 1.00 13.79 ? 155 GLY A O 1 ATOM 1050 N N . ILE A 1 136 ? 7.313 11.718 37.401 1.00 12.32 ? 156 ILE A N 1 ATOM 1051 C CA . ILE A 1 136 ? 8.679 11.450 37.793 1.00 12.93 ? 156 ILE A CA 1 ATOM 1052 C C . ILE A 1 136 ? 9.562 12.610 37.357 1.00 13.18 ? 156 ILE A C 1 ATOM 1053 O O . ILE A 1 136 ? 9.932 12.707 36.212 1.00 12.54 ? 156 ILE A O 1 ATOM 1054 C CB . ILE A 1 136 ? 9.220 10.116 37.233 1.00 13.34 ? 156 ILE A CB 1 ATOM 1055 C CG1 . ILE A 1 136 ? 8.311 8.930 37.621 1.00 13.38 ? 156 ILE A CG1 1 ATOM 1056 C CG2 . ILE A 1 136 ? 10.648 9.872 37.717 1.00 13.34 ? 156 ILE A CG2 1 ATOM 1057 C CD1 . ILE A 1 136 ? 8.613 7.662 36.822 1.00 13.15 ? 156 ILE A CD1 1 ATOM 1058 N N . ASP A 1 137 ? 9.967 13.424 38.332 1.00 15.07 ? 157 ASP A N 1 ATOM 1059 C CA . ASP A 1 137 ? 10.803 14.581 38.078 1.00 15.07 ? 157 ASP A CA 1 ATOM 1060 C C . ASP A 1 137 ? 12.245 14.164 37.964 1.00 13.35 ? 157 ASP A C 1 ATOM 1061 O O . ASP A 1 137 ? 12.741 13.308 38.710 1.00 12.16 ? 157 ASP A O 1 ATOM 1062 C CB . ASP A 1 137 ? 10.617 15.635 39.164 1.00 18.46 ? 157 ASP A CB 1 ATOM 1063 C CG . ASP A 1 137 ? 9.197 16.182 39.220 1.00 20.38 ? 157 ASP A CG 1 ATOM 1064 O OD1 . ASP A 1 137 ? 8.679 16.722 38.239 1.00 22.24 ? 157 ASP A OD1 1 ATOM 1065 O OD2 . ASP A 1 137 ? 8.594 16.092 40.285 1.00 29.47 ? 157 ASP A OD2 1 ATOM 1066 N N . VAL A 1 138 ? 12.896 14.703 36.950 1.00 13.36 ? 158 VAL A N 1 ATOM 1067 C CA . VAL A 1 138 ? 14.293 14.384 36.651 1.00 12.37 ? 158 VAL A CA 1 ATOM 1068 C C . VAL A 1 138 ? 15.026 15.640 36.258 1.00 12.38 ? 158 VAL A C 1 ATOM 1069 O O . VAL A 1 138 ? 14.410 16.678 35.960 1.00 12.76 ? 158 VAL A O 1 ATOM 1070 C CB . VAL A 1 138 ? 14.478 13.343 35.507 1.00 11.54 ? 158 VAL A CB 1 ATOM 1071 C CG1 . VAL A 1 138 ? 13.674 12.066 35.770 1.00 11.38 ? 158 VAL A CG1 1 ATOM 1072 C CG2 . VAL A 1 138 ? 14.097 13.915 34.153 1.00 11.63 ? 158 VAL A CG2 1 ATOM 1073 N N . THR A 1 139 ? 16.350 15.508 36.245 1.00 11.79 ? 159 THR A N 1 ATOM 1074 C CA . THR A 1 139 ? 17.269 16.518 35.709 1.00 13.09 ? 159 THR A CA 1 ATOM 1075 C C . THR A 1 139 ? 17.813 16.025 34.370 1.00 12.47 ? 159 THR A C 1 ATOM 1076 O O . THR A 1 139 ? 18.241 14.862 34.227 1.00 13.33 ? 159 THR A O 1 ATOM 1077 C CB . THR A 1 139 ? 18.466 16.761 36.679 1.00 13.47 ? 159 THR A CB 1 ATOM 1078 O OG1 . THR A 1 139 ? 17.973 17.083 38.007 1.00 14.13 ? 159 THR A OG1 1 ATOM 1079 C CG2 . THR A 1 139 ? 19.314 17.890 36.218 1.00 15.02 ? 159 THR A CG2 1 ATOM 1080 N N . TYR A 1 140 ? 17.812 16.901 33.394 1.00 12.46 ? 160 TYR A N 1 ATOM 1081 C CA . TYR A 1 140 ? 18.307 16.629 32.097 1.00 12.83 ? 160 TYR A CA 1 ATOM 1082 C C . TYR A 1 140 ? 19.097 17.867 31.647 1.00 14.87 ? 160 TYR A C 1 ATOM 1083 O O . TYR A 1 140 ? 18.518 18.905 31.503 1.00 14.99 ? 160 TYR A O 1 ATOM 1084 C CB . TYR A 1 140 ? 17.182 16.332 31.112 1.00 13.28 ? 160 TYR A CB 1 ATOM 1085 C CG . TYR A 1 140 ? 17.705 15.656 29.843 1.00 12.79 ? 160 TYR A CG 1 ATOM 1086 C CD1 . TYR A 1 140 ? 17.862 14.275 29.791 1.00 11.90 ? 160 TYR A CD1 1 ATOM 1087 C CD2 . TYR A 1 140 ? 18.071 16.405 28.716 1.00 12.32 ? 160 TYR A CD2 1 ATOM 1088 C CE1 . TYR A 1 140 ? 18.351 13.643 28.670 1.00 11.91 ? 160 TYR A CE1 1 ATOM 1089 C CE2 . TYR A 1 140 ? 18.571 15.792 27.586 1.00 12.65 ? 160 TYR A CE2 1 ATOM 1090 C CZ . TYR A 1 140 ? 18.725 14.383 27.575 1.00 12.16 ? 160 TYR A CZ 1 ATOM 1091 O OH . TYR A 1 140 ? 19.208 13.715 26.509 1.00 12.33 ? 160 TYR A OH 1 ATOM 1092 N N . ASP A 1 141 ? 20.405 17.719 31.427 1.00 15.88 ? 161 ASP A N 1 ATOM 1093 C CA . ASP A 1 141 ? 21.303 18.821 31.035 1.00 18.70 ? 161 ASP A CA 1 ATOM 1094 C C . ASP A 1 141 ? 21.114 20.024 31.983 1.00 16.99 ? 161 ASP A C 1 ATOM 1095 O O . ASP A 1 141 ? 21.031 21.181 31.566 1.00 18.85 ? 161 ASP A O 1 ATOM 1096 C CB . ASP A 1 141 ? 21.049 19.218 29.565 1.00 22.71 ? 161 ASP A CB 1 ATOM 1097 C CG . ASP A 1 141 ? 22.225 19.993 28.939 1.00 27.22 ? 161 ASP A CG 1 ATOM 1098 O OD1 . ASP A 1 141 ? 23.324 20.016 29.534 1.00 32.08 ? 161 ASP A OD1 1 ATOM 1099 O OD2 . ASP A 1 141 ? 22.036 20.555 27.821 1.00 31.58 ? 161 ASP A OD2 1 ATOM 1100 N N . GLY A 1 142 ? 21.022 19.718 33.265 1.00 15.82 ? 162 GLY A N 1 ATOM 1101 C CA . GLY A 1 142 ? 20.934 20.708 34.324 1.00 17.05 ? 162 GLY A CA 1 ATOM 1102 C C . GLY A 1 142 ? 19.629 21.424 34.492 1.00 18.66 ? 162 GLY A C 1 ATOM 1103 O O . GLY A 1 142 ? 19.566 22.352 35.284 1.00 21.81 ? 162 GLY A O 1 ATOM 1104 N N . GLU A 1 143 ? 18.585 20.996 33.774 1.00 18.21 ? 163 GLU A N 1 ATOM 1105 C CA . GLU A 1 143 ? 17.271 21.648 33.862 1.00 18.75 ? 163 GLU A CA 1 ATOM 1106 C C . GLU A 1 143 ? 16.295 20.581 34.367 1.00 19.01 ? 163 GLU A C 1 ATOM 1107 O O . GLU A 1 143 ? 16.491 19.397 34.091 1.00 18.14 ? 163 GLU A O 1 ATOM 1108 C CB A GLU A 1 143 ? 16.919 22.238 32.495 0.60 18.86 ? 163 GLU A CB 1 ATOM 1109 C CB B GLU A 1 143 ? 16.781 22.279 32.532 0.40 19.08 ? 163 GLU A CB 1 ATOM 1110 C CG A GLU A 1 143 ? 17.870 23.373 32.073 0.60 19.42 ? 163 GLU A CG 1 ATOM 1111 C CG B GLU A 1 143 ? 17.406 21.847 31.212 0.40 19.70 ? 163 GLU A CG 1 ATOM 1112 C CD A GLU A 1 143 ? 17.847 24.591 33.008 0.60 20.67 ? 163 GLU A CD 1 ATOM 1113 C CD B GLU A 1 143 ? 16.562 20.854 30.432 0.40 19.66 ? 163 GLU A CD 1 ATOM 1114 O OE1 A GLU A 1 143 ? 16.848 24.801 33.725 0.60 23.05 ? 163 GLU A OE1 1 ATOM 1115 O OE1 B GLU A 1 143 ? 15.321 20.938 30.547 0.40 21.79 ? 163 GLU A OE1 1 ATOM 1116 O OE2 A GLU A 1 143 ? 18.832 25.361 33.030 0.60 21.73 ? 163 GLU A OE2 1 ATOM 1117 O OE2 B GLU A 1 143 ? 17.124 20.022 29.678 0.40 17.76 ? 163 GLU A OE2 1 ATOM 1118 N N . THR A 1 144 ? 15.376 20.980 35.229 1.00 17.14 ? 164 THR A N 1 ATOM 1119 C CA . THR A 1 144 ? 14.399 20.104 35.805 1.00 18.15 ? 164 THR A CA 1 ATOM 1120 C C . THR A 1 144 ? 13.307 19.862 34.759 1.00 17.39 ? 164 THR A C 1 ATOM 1121 O O . THR A 1 144 ? 12.784 20.785 34.135 1.00 16.69 ? 164 THR A O 1 ATOM 1122 C CB . THR A 1 144 ? 13.838 20.717 37.115 1.00 20.12 ? 164 THR A CB 1 ATOM 1123 O OG1 . THR A 1 144 ? 14.923 20.847 38.035 1.00 19.58 ? 164 THR A OG1 1 ATOM 1124 C CG2 . THR A 1 144 ? 12.807 19.871 37.763 1.00 22.32 ? 164 THR A CG2 1 ATOM 1125 N N . THR A 1 145 ? 12.986 18.582 34.561 1.00 14.84 ? 165 THR A N 1 ATOM 1126 C CA . THR A 1 145 ? 11.905 18.209 33.640 1.00 14.01 ? 165 THR A CA 1 ATOM 1127 C C . THR A 1 145 ? 11.292 16.935 34.206 1.00 12.67 ? 165 THR A C 1 ATOM 1128 O O . THR A 1 145 ? 11.364 16.697 35.412 1.00 11.79 ? 165 THR A O 1 ATOM 1129 C CB . THR A 1 145 ? 12.418 18.147 32.170 1.00 14.09 ? 165 THR A CB 1 ATOM 1130 O OG1 . THR A 1 145 ? 11.348 17.810 31.271 1.00 14.36 ? 165 THR A OG1 1 ATOM 1131 C CG2 . THR A 1 145 ? 13.572 17.205 32.022 1.00 13.97 ? 165 THR A CG2 1 ATOM 1132 N N . ASN A 1 146 ? 10.666 16.128 33.372 1.00 11.96 ? 166 ASN A N 1 ATOM 1133 C CA . ASN A 1 146 ? 10.105 14.889 33.842 1.00 10.89 ? 166 ASN A CA 1 ATOM 1134 C C . ASN A 1 146 ? 10.437 13.794 32.856 1.00 10.23 ? 166 ASN A C 1 ATOM 1135 O O . ASN A 1 146 ? 10.787 14.083 31.733 1.00 9.63 ? 166 ASN A O 1 ATOM 1136 C CB . ASN A 1 146 ? 8.592 14.973 34.100 1.00 11.30 ? 166 ASN A CB 1 ATOM 1137 C CG . ASN A 1 146 ? 7.787 15.165 32.837 1.00 12.50 ? 166 ASN A CG 1 ATOM 1138 O OD1 . ASN A 1 146 ? 7.666 14.236 31.991 1.00 11.28 ? 166 ASN A OD1 1 ATOM 1139 N ND2 . ASN A 1 146 ? 7.250 16.414 32.661 1.00 12.44 ? 166 ASN A ND2 1 ATOM 1140 N N . LEU A 1 147 ? 10.300 12.550 33.336 1.00 9.44 ? 167 LEU A N 1 ATOM 1141 C CA . LEU A 1 147 ? 10.735 11.368 32.583 1.00 9.07 ? 167 LEU A CA 1 ATOM 1142 C C . LEU A 1 147 ? 9.955 11.187 31.278 1.00 8.40 ? 167 LEU A C 1 ATOM 1143 O O . LEU A 1 147 ? 10.549 10.840 30.254 1.00 7.81 ? 167 LEU A O 1 ATOM 1144 C CB . LEU A 1 147 ? 10.674 10.121 33.427 1.00 9.48 ? 167 LEU A CB 1 ATOM 1145 C CG . LEU A 1 147 ? 11.441 8.913 32.812 1.00 9.57 ? 167 LEU A CG 1 ATOM 1146 C CD1 . LEU A 1 147 ? 12.966 9.079 32.699 1.00 9.67 ? 167 LEU A CD1 1 ATOM 1147 C CD2 . LEU A 1 147 ? 11.185 7.642 33.613 1.00 9.70 ? 167 LEU A CD2 1 ATOM 1148 N N . HIS A 1 148 ? 8.665 11.459 31.298 1.00 8.05 ? 168 HIS A N 1 ATOM 1149 C CA . HIS A 1 148 ? 7.886 11.451 30.073 1.00 8.18 ? 168 HIS A CA 1 ATOM 1150 C C . HIS A 1 148 ? 8.419 12.457 29.020 1.00 8.16 ? 168 HIS A C 1 ATOM 1151 O O . HIS A 1 148 ? 8.621 12.103 27.829 1.00 7.79 ? 168 HIS A O 1 ATOM 1152 C CB . HIS A 1 148 ? 6.426 11.681 30.378 1.00 8.67 ? 168 HIS A CB 1 ATOM 1153 C CG . HIS A 1 148 ? 5.536 11.407 29.201 1.00 8.81 ? 168 HIS A CG 1 ATOM 1154 N ND1 . HIS A 1 148 ? 4.837 10.232 29.054 1.00 8.99 ? 168 HIS A ND1 1 ATOM 1155 C CD2 . HIS A 1 148 ? 5.298 12.131 28.084 1.00 9.48 ? 168 HIS A CD2 1 ATOM 1156 C CE1 . HIS A 1 148 ? 4.150 10.276 27.932 1.00 9.19 ? 168 HIS A CE1 1 ATOM 1157 N NE2 . HIS A 1 148 ? 4.415 11.410 27.320 1.00 9.01 ? 168 HIS A NE2 1 ATOM 1158 N N . HIS A 1 149 ? 8.715 13.687 29.462 1.00 8.19 ? 169 HIS A N 1 ATOM 1159 C CA . HIS A 1 149 ? 9.131 14.773 28.575 1.00 8.82 ? 169 HIS A CA 1 ATOM 1160 C C . HIS A 1 149 ? 10.469 14.454 27.879 1.00 8.82 ? 169 HIS A C 1 ATOM 1161 O O . HIS A 1 149 ? 10.689 14.722 26.685 1.00 9.07 ? 169 HIS A O 1 ATOM 1162 C CB . HIS A 1 149 ? 9.178 16.151 29.367 1.00 8.43 ? 169 HIS A CB 1 ATOM 1163 C CG . HIS A 1 149 ? 9.248 17.369 28.481 1.00 8.57 ? 169 HIS A CG 1 ATOM 1164 N ND1 . HIS A 1 149 ? 10.409 17.764 27.852 1.00 8.83 ? 169 HIS A ND1 1 ATOM 1165 C CD2 . HIS A 1 149 ? 8.305 18.251 28.076 1.00 8.71 ? 169 HIS A CD2 1 ATOM 1166 C CE1 . HIS A 1 149 ? 10.207 18.857 27.157 1.00 8.30 ? 169 HIS A CE1 1 ATOM 1167 N NE2 . HIS A 1 149 ? 8.931 19.151 27.235 1.00 9.03 ? 169 HIS A NE2 1 ATOM 1168 N N . ILE A 1 150 ? 11.381 13.839 28.623 1.00 9.36 ? 170 ILE A N 1 ATOM 1169 C CA . ILE A 1 150 ? 12.666 13.504 28.021 1.00 9.44 ? 170 ILE A CA 1 ATOM 1170 C C . ILE A 1 150 ? 12.572 12.414 26.933 1.00 9.23 ? 170 ILE A C 1 ATOM 1171 O O . ILE A 1 150 ? 13.343 12.444 26.000 1.00 10.25 ? 170 ILE A O 1 ATOM 1172 C CB . ILE A 1 150 ? 13.821 13.238 29.032 1.00 9.25 ? 170 ILE A CB 1 ATOM 1173 C CG1 . ILE A 1 150 ? 13.744 11.885 29.680 1.00 9.82 ? 170 ILE A CG1 1 ATOM 1174 C CG2 . ILE A 1 150 ? 13.865 14.321 30.097 1.00 9.65 ? 170 ILE A CG2 1 ATOM 1175 C CD1 . ILE A 1 150 ? 15.050 11.480 30.349 1.00 9.84 ? 170 ILE A CD1 1 ATOM 1176 N N . TRP A 1 151 ? 11.726 11.411 27.150 1.00 8.91 ? 171 TRP A N 1 ATOM 1177 C CA . TRP A 1 151 ? 11.431 10.375 26.139 1.00 8.78 ? 171 TRP A CA 1 ATOM 1178 C C . TRP A 1 151 ? 10.666 10.941 24.969 1.00 8.74 ? 171 TRP A C 1 ATOM 1179 O O . TRP A 1 151 ? 10.961 10.608 23.844 1.00 8.66 ? 171 TRP A O 1 ATOM 1180 C CB . TRP A 1 151 ? 10.685 9.142 26.769 1.00 8.87 ? 171 TRP A CB 1 ATOM 1181 C CG . TRP A 1 151 ? 11.691 8.209 27.417 1.00 8.87 ? 171 TRP A CG 1 ATOM 1182 C CD1 . TRP A 1 151 ? 12.196 8.320 28.661 1.00 8.98 ? 171 TRP A CD1 1 ATOM 1183 C CD2 . TRP A 1 151 ? 12.373 7.109 26.804 1.00 9.11 ? 171 TRP A CD2 1 ATOM 1184 N NE1 . TRP A 1 151 ? 13.116 7.321 28.904 1.00 9.07 ? 171 TRP A NE1 1 ATOM 1185 C CE2 . TRP A 1 151 ? 13.244 6.563 27.776 1.00 8.47 ? 171 TRP A CE2 1 ATOM 1186 C CE3 . TRP A 1 151 ? 12.323 6.519 25.544 1.00 8.79 ? 171 TRP A CE3 1 ATOM 1187 C CZ2 . TRP A 1 151 ? 14.054 5.506 27.515 1.00 9.00 ? 171 TRP A CZ2 1 ATOM 1188 C CZ3 . TRP A 1 151 ? 13.107 5.424 25.293 1.00 9.10 ? 171 TRP A CZ3 1 ATOM 1189 C CH2 . TRP A 1 151 ? 13.980 4.920 26.272 1.00 9.11 ? 171 TRP A CH2 1 ATOM 1190 N N . ASP A 1 152 ? 9.705 11.841 25.218 1.00 8.62 ? 172 ASP A N 1 ATOM 1191 C CA . ASP A 1 152 ? 8.966 12.429 24.122 1.00 9.19 ? 172 ASP A CA 1 ATOM 1192 C C . ASP A 1 152 ? 9.808 13.383 23.334 1.00 8.60 ? 172 ASP A C 1 ATOM 1193 O O . ASP A 1 152 ? 9.735 13.418 22.084 1.00 8.71 ? 172 ASP A O 1 ATOM 1194 C CB . ASP A 1 152 ? 7.722 13.220 24.636 1.00 9.29 ? 172 ASP A CB 1 ATOM 1195 C CG . ASP A 1 152 ? 6.433 12.402 24.622 1.00 8.84 ? 172 ASP A CG 1 ATOM 1196 O OD1 . ASP A 1 152 ? 6.398 11.169 24.376 1.00 9.00 ? 172 ASP A OD1 1 ATOM 1197 O OD2 . ASP A 1 152 ? 5.438 13.071 24.841 1.00 9.43 ? 172 ASP A OD2 1 ATOM 1198 N N . THR A 1 153 ? 10.589 14.205 24.039 1.00 9.09 ? 173 THR A N 1 ATOM 1199 C CA . THR A 1 153 ? 11.159 15.431 23.441 1.00 8.76 ? 173 THR A CA 1 ATOM 1200 C C . THR A 1 153 ? 12.652 15.610 23.587 1.00 8.45 ? 173 THR A C 1 ATOM 1201 O O . THR A 1 153 ? 13.330 15.693 22.561 1.00 7.82 ? 173 THR A O 1 ATOM 1202 C CB . THR A 1 153 ? 10.411 16.669 23.912 1.00 8.69 ? 173 THR A CB 1 ATOM 1203 O OG1 . THR A 1 153 ? 9.050 16.497 23.520 1.00 8.53 ? 173 THR A OG1 1 ATOM 1204 C CG2 . THR A 1 153 ? 10.977 18.004 23.358 1.00 8.85 ? 173 THR A CG2 1 ATOM 1205 N N . ASN A 1 154 ? 13.132 15.702 24.811 1.00 8.59 ? 174 ASN A N 1 ATOM 1206 C CA . ASN A 1 154 ? 14.551 16.052 25.026 1.00 9.29 ? 174 ASN A CA 1 ATOM 1207 C C . ASN A 1 154 ? 15.525 15.101 24.323 1.00 9.15 ? 174 ASN A C 1 ATOM 1208 O O . ASN A 1 154 ? 16.442 15.537 23.622 1.00 8.92 ? 174 ASN A O 1 ATOM 1209 C CB . ASN A 1 154 ? 14.900 16.105 26.524 1.00 9.50 ? 174 ASN A CB 1 ATOM 1210 C CG . ASN A 1 154 ? 14.022 17.050 27.344 1.00 9.72 ? 174 ASN A CG 1 ATOM 1211 O OD1 . ASN A 1 154 ? 12.835 16.803 27.555 1.00 11.21 ? 174 ASN A OD1 1 ATOM 1212 N ND2 . ASN A 1 154 ? 14.608 18.155 27.819 1.00 11.11 ? 174 ASN A ND2 1 ATOM 1213 N N . MET A 1 155 ? 15.356 13.794 24.521 1.00 8.95 ? 175 MET A N 1 ATOM 1214 C CA . MET A 1 155 ? 16.285 12.846 23.893 1.00 9.05 ? 175 MET A CA 1 ATOM 1215 C C . MET A 1 155 ? 16.125 12.712 22.397 1.00 9.33 ? 175 MET A C 1 ATOM 1216 O O . MET A 1 155 ? 17.112 12.729 21.668 1.00 9.93 ? 175 MET A O 1 ATOM 1217 C CB . MET A 1 155 ? 16.250 11.494 24.588 1.00 9.16 ? 175 MET A CB 1 ATOM 1218 C CG . MET A 1 155 ? 16.584 11.585 26.044 1.00 9.48 ? 175 MET A CG 1 ATOM 1219 S SD . MET A 1 155 ? 16.918 10.053 26.920 1.00 9.52 ? 175 MET A SD 1 ATOM 1220 C CE . MET A 1 155 ? 15.329 9.147 26.828 1.00 9.43 ? 175 MET A CE 1 ATOM 1221 N N . PRO A 1 156 ? 14.895 12.565 21.882 1.00 9.47 ? 176 PRO A N 1 ATOM 1222 C CA . PRO A 1 156 ? 14.820 12.527 20.395 1.00 9.45 ? 176 PRO A CA 1 ATOM 1223 C C . PRO A 1 156 ? 15.373 13.792 19.682 1.00 9.99 ? 176 PRO A C 1 ATOM 1224 O O . PRO A 1 156 ? 16.050 13.671 18.619 1.00 11.65 ? 176 PRO A O 1 ATOM 1225 C CB . PRO A 1 156 ? 13.298 12.321 20.130 1.00 8.92 ? 176 PRO A CB 1 ATOM 1226 C CG . PRO A 1 156 ? 12.843 11.654 21.346 1.00 9.00 ? 176 PRO A CG 1 ATOM 1227 C CD . PRO A 1 156 ? 13.617 12.197 22.506 1.00 9.14 ? 176 PRO A CD 1 ATOM 1228 N N . GLU A 1 157 ? 15.108 14.998 20.233 1.00 10.20 ? 177 GLU A N 1 ATOM 1229 C CA . GLU A 1 157 ? 15.601 16.231 19.613 1.00 10.32 ? 177 GLU A CA 1 ATOM 1230 C C . GLU A 1 157 ? 17.121 16.320 19.681 1.00 11.75 ? 177 GLU A C 1 ATOM 1231 O O . GLU A 1 157 ? 17.771 16.844 18.752 1.00 12.55 ? 177 GLU A O 1 ATOM 1232 C CB . GLU A 1 157 ? 14.984 17.471 20.225 1.00 10.81 ? 177 GLU A CB 1 ATOM 1233 C CG . GLU A 1 157 ? 13.484 17.632 19.955 1.00 11.12 ? 177 GLU A CG 1 ATOM 1234 C CD . GLU A 1 157 ? 12.928 18.991 20.369 1.00 12.23 ? 177 GLU A CD 1 ATOM 1235 O OE1 . GLU A 1 157 ? 11.719 19.240 20.123 1.00 12.56 ? 177 GLU A OE1 1 ATOM 1236 O OE2 . GLU A 1 157 ? 13.649 19.818 20.982 1.00 12.38 ? 177 GLU A OE2 1 ATOM 1237 N N . GLU A 1 158 ? 17.683 15.847 20.784 1.00 11.41 ? 178 GLU A N 1 ATOM 1238 C CA . GLU A 1 158 ? 19.146 15.793 20.925 1.00 12.12 ? 178 GLU A CA 1 ATOM 1239 C C . GLU A 1 158 ? 19.744 14.892 19.844 1.00 12.45 ? 178 GLU A C 1 ATOM 1240 O O . GLU A 1 158 ? 20.706 15.259 19.116 1.00 12.60 ? 178 GLU A O 1 ATOM 1241 C CB . GLU A 1 158 ? 19.534 15.268 22.260 1.00 12.38 ? 178 GLU A CB 1 ATOM 1242 C CG . GLU A 1 158 ? 21.058 15.160 22.420 1.00 13.30 ? 178 GLU A CG 1 ATOM 1243 C CD . GLU A 1 158 ? 21.543 15.066 23.829 1.00 13.76 ? 178 GLU A CD 1 ATOM 1244 O OE1 . GLU A 1 158 ? 22.775 14.798 23.921 1.00 14.97 ? 178 GLU A OE1 1 ATOM 1245 O OE2 . GLU A 1 158 ? 20.763 15.210 24.801 1.00 12.41 ? 178 GLU A OE2 1 ATOM 1246 N N . ALA A 1 159 ? 19.143 13.721 19.678 1.00 12.22 ? 179 ALA A N 1 ATOM 1247 C CA . ALA A 1 159 ? 19.650 12.780 18.689 1.00 12.14 ? 179 ALA A CA 1 ATOM 1248 C C . ALA A 1 159 ? 19.503 13.276 17.250 1.00 13.32 ? 179 ALA A C 1 ATOM 1249 O O . ALA A 1 159 ? 20.399 13.069 16.418 1.00 13.80 ? 179 ALA A O 1 ATOM 1250 C CB . ALA A 1 159 ? 18.933 11.444 18.900 1.00 11.96 ? 179 ALA A CB 1 ATOM 1251 N N . ALA A 1 160 ? 18.375 13.935 16.959 1.00 11.59 ? 180 ALA A N 1 ATOM 1252 C CA . ALA A 1 160 ? 18.066 14.398 15.602 1.00 11.84 ? 180 ALA A CA 1 ATOM 1253 C C . ALA A 1 160 ? 18.842 15.656 15.251 1.00 11.81 ? 180 ALA A C 1 ATOM 1254 O O . ALA A 1 160 ? 19.019 15.980 14.058 1.00 12.31 ? 180 ALA A O 1 ATOM 1255 C CB . ALA A 1 160 ? 16.547 14.623 15.443 1.00 10.59 ? 180 ALA A CB 1 ATOM 1256 N N . GLY A 1 161 ? 19.292 16.357 16.281 1.00 12.82 ? 181 GLY A N 1 ATOM 1257 C CA . GLY A 1 161 ? 19.954 17.661 16.162 1.00 13.16 ? 181 GLY A CA 1 ATOM 1258 C C . GLY A 1 161 ? 19.028 18.836 15.973 1.00 13.51 ? 181 GLY A C 1 ATOM 1259 O O . GLY A 1 161 ? 19.380 19.775 15.282 1.00 14.56 ? 181 GLY A O 1 ATOM 1260 N N . GLY A 1 162 ? 17.827 18.782 16.528 1.00 12.93 ? 182 GLY A N 1 ATOM 1261 C CA . GLY A 1 162 ? 16.879 19.887 16.421 1.00 13.16 ? 182 GLY A CA 1 ATOM 1262 C C . GLY A 1 162 ? 15.441 19.419 16.422 1.00 12.89 ? 182 GLY A C 1 ATOM 1263 O O . GLY A 1 162 ? 15.145 18.320 16.908 1.00 12.71 ? 182 GLY A O 1 ATOM 1264 N N . TYR A 1 163 ? 14.553 20.273 15.897 1.00 13.56 ? 183 TYR A N 1 ATOM 1265 C CA . TYR A 1 163 ? 13.105 20.086 15.990 1.00 14.52 ? 183 TYR A CA 1 ATOM 1266 C C . TYR A 1 163 ? 12.248 20.506 14.806 1.00 14.59 ? 183 TYR A C 1 ATOM 1267 O O . TYR A 1 163 ? 11.046 20.302 14.867 1.00 17.56 ? 183 TYR A O 1 ATOM 1268 C CB . TYR A 1 163 ? 12.568 20.799 17.234 1.00 15.56 ? 183 TYR A CB 1 ATOM 1269 C CG . TYR A 1 163 ? 12.867 22.299 17.308 1.00 17.10 ? 183 TYR A CG 1 ATOM 1270 C CD1 . TYR A 1 163 ? 12.015 23.236 16.737 1.00 18.38 ? 183 TYR A CD1 1 ATOM 1271 C CD2 . TYR A 1 163 ? 13.991 22.761 17.961 1.00 19.28 ? 183 TYR A CD2 1 ATOM 1272 C CE1 . TYR A 1 163 ? 12.299 24.602 16.805 1.00 18.87 ? 183 TYR A CE1 1 ATOM 1273 C CE2 . TYR A 1 163 ? 14.270 24.119 18.055 1.00 20.33 ? 183 TYR A CE2 1 ATOM 1274 C CZ . TYR A 1 163 ? 13.421 25.028 17.458 1.00 20.08 ? 183 TYR A CZ 1 ATOM 1275 O OH . TYR A 1 163 ? 13.707 26.371 17.537 1.00 25.25 ? 183 TYR A OH 1 ATOM 1276 N N . SER A 1 164 ? 12.830 21.066 13.762 1.00 14.94 ? 184 SER A N 1 ATOM 1277 C CA . SER A 1 164 ? 12.093 21.531 12.596 1.00 15.49 ? 184 SER A CA 1 ATOM 1278 C C . SER A 1 164 ? 11.621 20.371 11.733 1.00 16.42 ? 184 SER A C 1 ATOM 1279 O O . SER A 1 164 ? 12.083 19.262 11.891 1.00 14.31 ? 184 SER A O 1 ATOM 1280 C CB . SER A 1 164 ? 12.992 22.413 11.747 1.00 14.70 ? 184 SER A CB 1 ATOM 1281 O OG . SER A 1 164 ? 14.132 21.749 11.277 1.00 14.04 ? 184 SER A OG 1 ATOM 1282 N N . LEU A 1 165 ? 10.701 20.649 10.808 1.00 16.74 ? 185 LEU A N 1 ATOM 1283 C CA . LEU A 1 165 ? 10.304 19.661 9.789 1.00 16.79 ? 185 LEU A CA 1 ATOM 1284 C C . LEU A 1 165 ? 11.473 19.176 8.958 1.00 15.70 ? 185 LEU A C 1 ATOM 1285 O O . LEU A 1 165 ? 11.591 17.957 8.670 1.00 14.81 ? 185 LEU A O 1 ATOM 1286 C CB . LEU A 1 165 ? 9.249 20.228 8.825 1.00 18.63 ? 185 LEU A CB 1 ATOM 1287 C CG . LEU A 1 165 ? 7.845 20.151 9.429 1.00 21.59 ? 185 LEU A CG 1 ATOM 1288 C CD1 . LEU A 1 165 ? 6.955 21.276 8.906 1.00 24.45 ? 185 LEU A CD1 1 ATOM 1289 C CD2 . LEU A 1 165 ? 7.258 18.764 9.169 1.00 20.68 ? 185 LEU A CD2 1 ATOM 1290 N N . SER A 1 166 ? 12.357 20.103 8.588 1.00 13.98 ? 186 SER A N 1 ATOM 1291 C CA . SER A 1 166 ? 13.568 19.697 7.861 1.00 13.86 ? 186 SER A CA 1 ATOM 1292 C C . SER A 1 166 ? 14.428 18.740 8.678 1.00 12.27 ? 186 SER A C 1 ATOM 1293 O O . SER A 1 166 ? 14.894 17.736 8.151 1.00 11.72 ? 186 SER A O 1 ATOM 1294 C CB A SER A 1 166 ? 14.391 20.938 7.439 0.60 13.70 ? 186 SER A CB 1 ATOM 1295 C CB B SER A 1 166 ? 14.389 20.917 7.368 0.40 13.83 ? 186 SER A CB 1 ATOM 1296 O OG A SER A 1 166 ? 15.708 20.566 7.070 0.60 12.97 ? 186 SER A OG 1 ATOM 1297 O OG B SER A 1 166 ? 14.912 21.700 8.421 0.40 13.55 ? 186 SER A OG 1 ATOM 1298 N N . VAL A 1 167 ? 14.662 19.060 9.951 1.00 11.57 ? 187 VAL A N 1 ATOM 1299 C CA . VAL A 1 167 ? 15.401 18.128 10.839 1.00 11.47 ? 187 VAL A CA 1 ATOM 1300 C C . VAL A 1 167 ? 14.707 16.764 10.956 1.00 10.55 ? 187 VAL A C 1 ATOM 1301 O O . VAL A 1 167 ? 15.372 15.713 10.917 1.00 10.09 ? 187 VAL A O 1 ATOM 1302 C CB . VAL A 1 167 ? 15.623 18.735 12.233 1.00 11.78 ? 187 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 167 ? 16.258 17.751 13.208 1.00 11.73 ? 187 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 167 ? 16.548 19.948 12.090 1.00 12.14 ? 187 VAL A CG2 1 ATOM 1305 N N . ALA A 1 168 ? 13.383 16.783 11.060 1.00 10.35 ? 188 ALA A N 1 ATOM 1306 C CA . ALA A 1 168 ? 12.626 15.516 11.080 1.00 9.92 ? 188 ALA A CA 1 ATOM 1307 C C . ALA A 1 168 ? 12.820 14.696 9.780 1.00 9.61 ? 188 ALA A C 1 ATOM 1308 O O . ALA A 1 168 ? 12.988 13.463 9.832 1.00 9.15 ? 188 ALA A O 1 ATOM 1309 C CB . ALA A 1 168 ? 11.138 15.745 11.343 1.00 9.82 ? 188 ALA A CB 1 ATOM 1310 N N . LYS A 1 169 ? 12.803 15.367 8.629 1.00 9.50 ? 189 LYS A N 1 ATOM 1311 C CA . LYS A 1 169 ? 12.952 14.651 7.354 1.00 11.49 ? 189 LYS A CA 1 ATOM 1312 C C . LYS A 1 169 ? 14.352 13.994 7.214 1.00 10.80 ? 189 LYS A C 1 ATOM 1313 O O . LYS A 1 169 ? 14.490 12.890 6.690 1.00 9.96 ? 189 LYS A O 1 ATOM 1314 C CB A LYS A 1 169 ? 12.690 15.581 6.153 0.50 12.29 ? 189 LYS A CB 1 ATOM 1315 C CB B LYS A 1 169 ? 12.702 15.571 6.146 0.50 11.68 ? 189 LYS A CB 1 ATOM 1316 C CG A LYS A 1 169 ? 12.818 14.844 4.830 0.50 14.06 ? 189 LYS A CG 1 ATOM 1317 C CG B LYS A 1 169 ? 12.647 14.785 4.843 0.50 12.74 ? 189 LYS A CG 1 ATOM 1318 C CD A LYS A 1 169 ? 11.889 15.343 3.764 0.50 15.44 ? 189 LYS A CD 1 ATOM 1319 C CD B LYS A 1 169 ? 12.106 15.599 3.705 0.50 13.43 ? 189 LYS A CD 1 ATOM 1320 C CE A LYS A 1 169 ? 12.086 14.470 2.540 0.50 16.19 ? 189 LYS A CE 1 ATOM 1321 C CE B LYS A 1 169 ? 12.079 14.726 2.467 0.50 13.63 ? 189 LYS A CE 1 ATOM 1322 N NZ A LYS A 1 169 ? 12.714 13.171 2.911 0.50 17.07 ? 189 LYS A NZ 1 ATOM 1323 N NZ B LYS A 1 169 ? 11.619 15.478 1.276 0.50 13.57 ? 189 LYS A NZ 1 ATOM 1324 N N . THR A 1 170 ? 15.370 14.693 7.679 1.00 10.80 ? 190 THR A N 1 ATOM 1325 C CA . THR A 1 170 ? 16.743 14.204 7.631 1.00 10.79 ? 190 THR A CA 1 ATOM 1326 C C . THR A 1 170 ? 16.889 13.004 8.571 1.00 10.88 ? 190 THR A C 1 ATOM 1327 O O . THR A 1 170 ? 17.507 11.998 8.216 1.00 10.20 ? 190 THR A O 1 ATOM 1328 C CB . THR A 1 170 ? 17.691 15.374 8.010 1.00 11.36 ? 190 THR A CB 1 ATOM 1329 O OG1 . THR A 1 170 ? 17.493 16.427 7.050 1.00 12.45 ? 190 THR A OG1 1 ATOM 1330 C CG2 . THR A 1 170 ? 19.162 14.979 8.043 1.00 11.84 ? 190 THR A CG2 1 ATOM 1331 N N . TYR A 1 171 ? 16.259 13.082 9.744 1.00 9.95 ? 191 TYR A N 1 ATOM 1332 C CA . TYR A 1 171 ? 16.296 11.995 10.718 1.00 10.33 ? 191 TYR A CA 1 ATOM 1333 C C . TYR A 1 171 ? 15.566 10.777 10.250 1.00 9.41 ? 191 TYR A C 1 ATOM 1334 O O . TYR A 1 171 ? 16.034 9.636 10.403 1.00 9.37 ? 191 TYR A O 1 ATOM 1335 C CB . TYR A 1 171 ? 15.701 12.503 12.032 1.00 9.91 ? 191 TYR A CB 1 ATOM 1336 C CG . TYR A 1 171 ? 16.024 11.722 13.287 1.00 9.78 ? 191 TYR A CG 1 ATOM 1337 C CD1 . TYR A 1 171 ? 17.315 11.264 13.580 1.00 9.69 ? 191 TYR A CD1 1 ATOM 1338 C CD2 . TYR A 1 171 ? 15.022 11.547 14.281 1.00 9.81 ? 191 TYR A CD2 1 ATOM 1339 C CE1 . TYR A 1 171 ? 17.575 10.604 14.812 1.00 9.20 ? 191 TYR A CE1 1 ATOM 1340 C CE2 . TYR A 1 171 ? 15.260 10.914 15.472 1.00 8.96 ? 191 TYR A CE2 1 ATOM 1341 C CZ . TYR A 1 171 ? 16.526 10.439 15.749 1.00 9.72 ? 191 TYR A CZ 1 ATOM 1342 O OH . TYR A 1 171 ? 16.706 9.854 16.972 1.00 9.14 ? 191 TYR A OH 1 ATOM 1343 N N . ALA A 1 172 ? 14.406 11.009 9.663 1.00 9.34 ? 192 ALA A N 1 ATOM 1344 C CA . ALA A 1 172 ? 13.667 9.943 9.011 1.00 9.95 ? 192 ALA A CA 1 ATOM 1345 C C . ALA A 1 172 ? 14.520 9.320 7.907 1.00 10.96 ? 192 ALA A C 1 ATOM 1346 O O . ALA A 1 172 ? 14.642 8.104 7.824 1.00 10.28 ? 192 ALA A O 1 ATOM 1347 C CB . ALA A 1 172 ? 12.323 10.497 8.431 1.00 9.89 ? 192 ALA A CB 1 ATOM 1348 N N . ASP A 1 173 ? 15.188 10.144 7.102 1.00 11.59 ? 193 ASP A N 1 ATOM 1349 C CA . ASP A 1 173 ? 16.012 9.590 6.004 1.00 12.56 ? 193 ASP A CA 1 ATOM 1350 C C . ASP A 1 173 ? 17.113 8.655 6.611 1.00 12.59 ? 193 ASP A C 1 ATOM 1351 O O . ASP A 1 173 ? 17.363 7.547 6.074 1.00 11.25 ? 193 ASP A O 1 ATOM 1352 C CB A ASP A 1 173 ? 16.459 10.674 5.009 0.60 13.53 ? 193 ASP A CB 1 ATOM 1353 C CB B ASP A 1 173 ? 16.640 10.763 5.199 0.40 13.05 ? 193 ASP A CB 1 ATOM 1354 C CG A ASP A 1 173 ? 15.257 11.273 4.185 0.60 13.95 ? 193 ASP A CG 1 ATOM 1355 C CG B ASP A 1 173 ? 17.806 10.356 4.241 0.40 13.15 ? 193 ASP A CG 1 ATOM 1356 O OD1 A ASP A 1 173 ? 14.049 10.972 4.509 0.60 15.04 ? 193 ASP A OD1 1 ATOM 1357 O OD1 B ASP A 1 173 ? 17.699 10.635 3.029 0.40 14.43 ? 193 ASP A OD1 1 ATOM 1358 O OD2 A ASP A 1 173 ? 15.495 12.097 3.244 0.60 13.63 ? 193 ASP A OD2 1 ATOM 1359 O OD2 B ASP A 1 173 ? 18.859 9.888 4.671 0.40 12.99 ? 193 ASP A OD2 1 ATOM 1360 N N . LEU A 1 174 ? 17.728 9.085 7.706 1.00 12.31 ? 194 LEU A N 1 ATOM 1361 C CA . LEU A 1 174 ? 18.760 8.281 8.376 1.00 12.94 ? 194 LEU A CA 1 ATOM 1362 C C . LEU A 1 174 ? 18.198 6.933 8.838 1.00 12.63 ? 194 LEU A C 1 ATOM 1363 O O . LEU A 1 174 ? 18.776 5.875 8.560 1.00 11.34 ? 194 LEU A O 1 ATOM 1364 C CB . LEU A 1 174 ? 19.356 9.028 9.548 1.00 14.64 ? 194 LEU A CB 1 ATOM 1365 C CG . LEU A 1 174 ? 20.442 8.372 10.392 1.00 16.74 ? 194 LEU A CG 1 ATOM 1366 C CD1 . LEU A 1 174 ? 21.764 8.289 9.621 1.00 17.86 ? 194 LEU A CD1 1 ATOM 1367 C CD2 . LEU A 1 174 ? 20.589 9.100 11.714 1.00 17.61 ? 194 LEU A CD2 1 ATOM 1368 N N . LEU A 1 175 ? 17.051 6.968 9.508 1.00 11.27 ? 195 LEU A N 1 ATOM 1369 C CA . LEU A 1 175 ? 16.420 5.695 9.978 1.00 11.04 ? 195 LEU A CA 1 ATOM 1370 C C . LEU A 1 175 ? 15.883 4.807 8.858 1.00 10.20 ? 195 LEU A C 1 ATOM 1371 O O . LEU A 1 175 ? 15.950 3.560 8.931 1.00 10.16 ? 195 LEU A O 1 ATOM 1372 C CB . LEU A 1 175 ? 15.364 6.009 11.013 1.00 11.07 ? 195 LEU A CB 1 ATOM 1373 C CG . LEU A 1 175 ? 15.871 6.804 12.235 1.00 11.44 ? 195 LEU A CG 1 ATOM 1374 C CD1 . LEU A 1 175 ? 14.738 7.138 13.219 1.00 11.38 ? 195 LEU A CD1 1 ATOM 1375 C CD2 . LEU A 1 175 ? 17.007 6.110 12.964 1.00 11.41 ? 195 LEU A CD2 1 ATOM 1376 N N . THR A 1 176 ? 15.394 5.438 7.807 1.00 10.97 ? 196 THR A N 1 ATOM 1377 C CA . THR A 1 176 ? 14.934 4.750 6.613 1.00 11.38 ? 196 THR A CA 1 ATOM 1378 C C . THR A 1 176 ? 16.097 3.938 6.005 1.00 12.58 ? 196 THR A C 1 ATOM 1379 O O . THR A 1 176 ? 15.889 2.733 5.735 1.00 13.24 ? 196 THR A O 1 ATOM 1380 C CB . THR A 1 176 ? 14.231 5.719 5.614 1.00 11.26 ? 196 THR A CB 1 ATOM 1381 O OG1 . THR A 1 176 ? 12.965 6.128 6.165 1.00 9.69 ? 196 THR A OG1 1 ATOM 1382 C CG2 . THR A 1 176 ? 13.989 5.081 4.294 1.00 10.65 ? 196 THR A CG2 1 ATOM 1383 N N . GLU A 1 177 ? 17.272 4.534 5.816 1.00 12.96 ? 197 GLU A N 1 ATOM 1384 C CA . GLU A 1 177 ? 18.409 3.727 5.306 1.00 14.52 ? 197 GLU A CA 1 ATOM 1385 C C . GLU A 1 177 ? 18.770 2.574 6.265 1.00 13.66 ? 197 GLU A C 1 ATOM 1386 O O . GLU A 1 177 ? 19.093 1.519 5.789 1.00 12.25 ? 197 GLU A O 1 ATOM 1387 C CB A GLU A 1 177 ? 19.645 4.539 4.882 0.60 16.20 ? 197 GLU A CB 1 ATOM 1388 C CB B GLU A 1 177 ? 19.658 4.639 4.957 0.40 14.81 ? 197 GLU A CB 1 ATOM 1389 C CG A GLU A 1 177 ? 20.450 3.819 3.767 0.60 17.40 ? 197 GLU A CG 1 ATOM 1390 C CG B GLU A 1 177 ? 21.023 3.927 4.797 0.40 14.99 ? 197 GLU A CG 1 ATOM 1391 C CD A GLU A 1 177 ? 19.637 3.303 2.548 0.60 19.15 ? 197 GLU A CD 1 ATOM 1392 C CD B GLU A 1 177 ? 21.964 4.374 3.649 0.40 16.29 ? 197 GLU A CD 1 ATOM 1393 O OE1 A GLU A 1 177 ? 19.043 4.106 1.806 0.60 21.91 ? 197 GLU A OE1 1 ATOM 1394 O OE1 B GLU A 1 177 ? 21.531 4.699 2.494 0.40 16.77 ? 197 GLU A OE1 1 ATOM 1395 O OE2 A GLU A 1 177 ? 19.608 2.086 2.294 0.60 19.03 ? 197 GLU A OE2 1 ATOM 1396 O OE2 B GLU A 1 177 ? 23.190 4.308 3.878 0.40 15.67 ? 197 GLU A OE2 1 ATOM 1397 N N . ARG A 1 178 ? 18.708 2.801 7.602 1.00 13.01 ? 198 ARG A N 1 ATOM 1398 C CA . ARG A 1 178 ? 18.857 1.712 8.559 1.00 13.56 ? 198 ARG A CA 1 ATOM 1399 C C . ARG A 1 178 ? 17.910 0.554 8.306 1.00 12.97 ? 198 ARG A C 1 ATOM 1400 O O . ARG A 1 178 ? 18.298 -0.608 8.426 1.00 12.64 ? 198 ARG A O 1 ATOM 1401 C CB . ARG A 1 178 ? 18.727 2.177 9.992 1.00 14.32 ? 198 ARG A CB 1 ATOM 1402 C CG . ARG A 1 178 ? 19.914 2.925 10.527 1.00 15.53 ? 198 ARG A CG 1 ATOM 1403 C CD . ARG A 1 178 ? 19.797 3.123 12.045 1.00 15.89 ? 198 ARG A CD 1 ATOM 1404 N NE . ARG A 1 178 ? 20.639 4.231 12.513 1.00 16.10 ? 198 ARG A NE 1 ATOM 1405 C CZ . ARG A 1 178 ? 20.505 4.856 13.694 1.00 17.21 ? 198 ARG A CZ 1 ATOM 1406 N NH1 . ARG A 1 178 ? 19.580 4.498 14.587 1.00 16.65 ? 198 ARG A NH1 1 ATOM 1407 N NH2 . ARG A 1 178 ? 21.308 5.876 13.991 1.00 18.70 ? 198 ARG A NH2 1 ATOM 1408 N N . ILE A 1 179 ? 16.661 0.856 7.949 1.00 12.90 ? 199 ILE A N 1 ATOM 1409 C CA . ILE A 1 179 ? 15.719 -0.178 7.603 1.00 13.27 ? 199 ILE A CA 1 ATOM 1410 C C . ILE A 1 179 ? 16.085 -0.898 6.309 1.00 14.20 ? 199 ILE A C 1 ATOM 1411 O O . ILE A 1 179 ? 16.060 -2.122 6.251 1.00 15.80 ? 199 ILE A O 1 ATOM 1412 C CB . ILE A 1 179 ? 14.314 0.380 7.532 1.00 12.78 ? 199 ILE A CB 1 ATOM 1413 C CG1 . ILE A 1 179 ? 13.854 0.799 8.964 1.00 12.75 ? 199 ILE A CG1 1 ATOM 1414 C CG2 . ILE A 1 179 ? 13.342 -0.637 6.946 1.00 13.25 ? 199 ILE A CG2 1 ATOM 1415 C CD1 . ILE A 1 179 ? 12.561 1.611 8.972 1.00 12.55 ? 199 ILE A CD1 1 ATOM 1416 N N . LYS A 1 180 ? 16.363 -0.126 5.272 1.00 15.31 ? 200 LYS A N 1 ATOM 1417 C CA . LYS A 1 180 ? 16.532 -0.698 3.924 1.00 17.38 ? 200 LYS A CA 1 ATOM 1418 C C . LYS A 1 180 ? 17.818 -1.534 3.828 1.00 18.62 ? 200 LYS A C 1 ATOM 1419 O O . LYS A 1 180 ? 17.824 -2.675 3.345 1.00 19.14 ? 200 LYS A O 1 ATOM 1420 C CB . LYS A 1 180 ? 16.547 0.408 2.887 1.00 17.95 ? 200 LYS A CB 1 ATOM 1421 C CG . LYS A 1 180 ? 15.216 1.131 2.744 1.00 20.16 ? 200 LYS A CG 1 ATOM 1422 C CD . LYS A 1 180 ? 15.048 1.811 1.411 1.00 23.46 ? 200 LYS A CD 1 ATOM 1423 C CE . LYS A 1 180 ? 13.697 2.478 1.303 1.00 28.07 ? 200 LYS A CE 1 ATOM 1424 N NZ . LYS A 1 180 ? 13.235 2.531 -0.115 1.00 32.00 ? 200 LYS A NZ 1 ATOM 1425 N N . THR A 1 181 ? 18.914 -0.943 4.267 1.00 18.88 ? 201 THR A N 1 ATOM 1426 C CA . THR A 1 181 ? 20.222 -1.564 4.063 1.00 19.49 ? 201 THR A CA 1 ATOM 1427 C C . THR A 1 181 ? 21.061 -1.681 5.298 1.00 20.36 ? 201 THR A C 1 ATOM 1428 O O . THR A 1 181 ? 22.031 -2.485 5.321 1.00 19.98 ? 201 THR A O 1 ATOM 1429 C CB . THR A 1 181 ? 21.073 -0.844 2.982 1.00 19.94 ? 201 THR A CB 1 ATOM 1430 O OG1 . THR A 1 181 ? 21.277 0.524 3.331 1.00 21.18 ? 201 THR A OG1 1 ATOM 1431 C CG2 . THR A 1 181 ? 20.416 -0.912 1.620 1.00 21.10 ? 201 THR A CG2 1 ATOM 1432 N N . GLY A 1 182 ? 20.697 -0.971 6.345 1.00 18.46 ? 202 GLY A N 1 ATOM 1433 C CA . GLY A 1 182 ? 21.546 -0.876 7.515 1.00 18.17 ? 202 GLY A CA 1 ATOM 1434 C C . GLY A 1 182 ? 21.228 -1.845 8.625 1.00 19.36 ? 202 GLY A C 1 ATOM 1435 O O . GLY A 1 182 ? 20.836 -3.005 8.412 1.00 18.72 ? 202 GLY A O 1 ATOM 1436 N N . THR A 1 183 ? 21.368 -1.344 9.833 1.00 19.87 ? 203 THR A N 1 ATOM 1437 C CA . THR A 1 183 ? 21.348 -2.194 10.990 1.00 21.53 ? 203 THR A CA 1 ATOM 1438 C C . THR A 1 183 ? 19.990 -2.821 11.337 1.00 20.00 ? 203 THR A C 1 ATOM 1439 O O . THR A 1 183 ? 19.953 -3.733 12.172 1.00 19.55 ? 203 THR A O 1 ATOM 1440 C CB . THR A 1 183 ? 21.884 -1.475 12.222 1.00 22.43 ? 203 THR A CB 1 ATOM 1441 O OG1 . THR A 1 183 ? 21.923 -2.405 13.309 1.00 26.22 ? 203 THR A OG1 1 ATOM 1442 C CG2 . THR A 1 183 ? 21.022 -0.315 12.602 1.00 22.12 ? 203 THR A CG2 1 ATOM 1443 N N . TYR A 1 184 ? 18.890 -2.316 10.770 1.00 15.27 ? 204 TYR A N 1 ATOM 1444 C CA . TYR A 1 184 ? 17.610 -2.946 11.012 1.00 14.60 ? 204 TYR A CA 1 ATOM 1445 C C . TYR A 1 184 ? 17.176 -3.840 9.880 1.00 14.45 ? 204 TYR A C 1 ATOM 1446 O O . TYR A 1 184 ? 16.084 -4.368 9.935 1.00 16.47 ? 204 TYR A O 1 ATOM 1447 C CB . TYR A 1 184 ? 16.494 -1.887 11.249 1.00 13.41 ? 204 TYR A CB 1 ATOM 1448 C CG . TYR A 1 184 ? 16.825 -0.826 12.253 1.00 12.35 ? 204 TYR A CG 1 ATOM 1449 C CD1 . TYR A 1 184 ? 17.498 -1.142 13.427 1.00 11.83 ? 204 TYR A CD1 1 ATOM 1450 C CD2 . TYR A 1 184 ? 16.392 0.492 12.060 1.00 11.98 ? 204 TYR A CD2 1 ATOM 1451 C CE1 . TYR A 1 184 ? 17.783 -0.181 14.370 1.00 12.17 ? 204 TYR A CE1 1 ATOM 1452 C CE2 . TYR A 1 184 ? 16.676 1.465 12.980 1.00 12.12 ? 204 TYR A CE2 1 ATOM 1453 C CZ . TYR A 1 184 ? 17.348 1.140 14.145 1.00 11.23 ? 204 TYR A CZ 1 ATOM 1454 O OH . TYR A 1 184 ? 17.646 2.108 15.034 1.00 11.00 ? 204 TYR A OH 1 ATOM 1455 N N . SER A 1 185 ? 17.979 -3.977 8.831 1.00 14.36 ? 205 SER A N 1 ATOM 1456 C CA . SER A 1 185 ? 17.539 -4.571 7.603 1.00 16.23 ? 205 SER A CA 1 ATOM 1457 C C . SER A 1 185 ? 17.181 -6.036 7.799 1.00 16.91 ? 205 SER A C 1 ATOM 1458 O O . SER A 1 185 ? 16.215 -6.495 7.209 1.00 18.17 ? 205 SER A O 1 ATOM 1459 C CB . SER A 1 185 ? 18.585 -4.400 6.467 1.00 16.72 ? 205 SER A CB 1 ATOM 1460 O OG . SER A 1 185 ? 19.821 -5.022 6.859 1.00 19.07 ? 205 SER A OG 1 ATOM 1461 N N . SER A 1 186 ? 17.913 -6.732 8.653 1.00 17.66 ? 206 SER A N 1 ATOM 1462 C CA . SER A 1 186 ? 17.599 -8.131 8.919 1.00 21.91 ? 206 SER A CA 1 ATOM 1463 C C . SER A 1 186 ? 16.345 -8.337 9.770 1.00 22.69 ? 206 SER A C 1 ATOM 1464 O O . SER A 1 186 ? 15.687 -9.345 9.657 1.00 26.63 ? 206 SER A O 1 ATOM 1465 C CB . SER A 1 186 ? 18.788 -8.859 9.546 1.00 22.91 ? 206 SER A CB 1 ATOM 1466 O OG . SER A 1 186 ? 18.988 -8.461 10.875 1.00 25.97 ? 206 SER A OG 1 ATOM 1467 N N . LYS A 1 187 ? 16.036 -7.398 10.630 1.00 24.72 ? 207 LYS A N 1 ATOM 1468 C CA . LYS A 1 187 ? 14.893 -7.535 11.550 1.00 24.68 ? 207 LYS A CA 1 ATOM 1469 C C . LYS A 1 187 ? 13.591 -6.970 11.053 1.00 20.38 ? 207 LYS A C 1 ATOM 1470 O O . LYS A 1 187 ? 12.564 -7.283 11.571 1.00 18.81 ? 207 LYS A O 1 ATOM 1471 C CB . LYS A 1 187 ? 15.219 -6.875 12.854 1.00 26.82 ? 207 LYS A CB 1 ATOM 1472 C CG . LYS A 1 187 ? 16.207 -7.684 13.649 1.00 31.75 ? 207 LYS A CG 1 ATOM 1473 C CD . LYS A 1 187 ? 16.398 -7.155 15.066 1.00 33.56 ? 207 LYS A CD 1 ATOM 1474 C CE . LYS A 1 187 ? 17.528 -6.158 15.130 1.00 35.18 ? 207 LYS A CE 1 ATOM 1475 N NZ . LYS A 1 187 ? 17.249 -4.946 14.321 1.00 36.72 ? 207 LYS A NZ 1 ATOM 1476 N N . LYS A 1 188 ? 13.645 -6.074 10.102 1.00 18.67 ? 208 LYS A N 1 ATOM 1477 C CA . LYS A 1 188 ? 12.451 -5.377 9.722 1.00 18.41 ? 208 LYS A CA 1 ATOM 1478 C C . LYS A 1 188 ? 11.379 -6.226 9.033 1.00 17.93 ? 208 LYS A C 1 ATOM 1479 O O . LYS A 1 188 ? 10.219 -5.905 9.185 1.00 15.91 ? 208 LYS A O 1 ATOM 1480 C CB . LYS A 1 188 ? 12.775 -4.099 8.955 1.00 19.87 ? 208 LYS A CB 1 ATOM 1481 C CG . LYS A 1 188 ? 13.639 -4.273 7.755 1.00 19.99 ? 208 LYS A CG 1 ATOM 1482 C CD . LYS A 1 188 ? 12.815 -4.623 6.547 1.00 19.97 ? 208 LYS A CD 1 ATOM 1483 C CE . LYS A 1 188 ? 13.630 -4.460 5.279 1.00 21.32 ? 208 LYS A CE 1 ATOM 1484 N NZ . LYS A 1 188 ? 14.498 -5.641 5.080 1.00 21.87 ? 208 LYS A NZ 1 ATOM 1485 N N . ASP A 1 189 ? 11.698 -7.332 8.336 1.00 20.43 ? 209 ASP A N 1 ATOM 1486 C CA . ASP A 1 189 ? 10.588 -8.188 7.848 1.00 21.89 ? 209 ASP A CA 1 ATOM 1487 C C . ASP A 1 189 ? 9.720 -8.713 9.038 1.00 20.66 ? 209 ASP A C 1 ATOM 1488 O O . ASP A 1 189 ? 8.448 -8.701 8.973 1.00 20.30 ? 209 ASP A O 1 ATOM 1489 C CB . ASP A 1 189 ? 11.029 -9.301 6.900 1.00 25.72 ? 209 ASP A CB 1 ATOM 1490 C CG . ASP A 1 189 ? 11.334 -8.785 5.465 1.00 28.49 ? 209 ASP A CG 1 ATOM 1491 O OD1 . ASP A 1 189 ? 10.792 -7.721 5.009 1.00 23.11 ? 209 ASP A OD1 1 ATOM 1492 O OD2 . ASP A 1 189 ? 12.121 -9.477 4.792 1.00 38.73 ? 209 ASP A OD2 1 ATOM 1493 N N . SER A 1 190 ? 10.367 -9.001 10.179 1.00 15.74 ? 210 SER A N 1 ATOM 1494 C CA . SER A 1 190 ? 9.578 -9.440 11.352 1.00 13.79 ? 210 SER A CA 1 ATOM 1495 C C . SER A 1 190 ? 8.731 -8.338 12.019 1.00 11.15 ? 210 SER A C 1 ATOM 1496 O O . SER A 1 190 ? 7.802 -8.644 12.726 1.00 10.27 ? 210 SER A O 1 ATOM 1497 C CB . SER A 1 190 ? 10.465 -10.113 12.396 1.00 15.30 ? 210 SER A CB 1 ATOM 1498 O OG . SER A 1 190 ? 11.347 -9.133 12.934 1.00 18.20 ? 210 SER A OG 1 ATOM 1499 N N . TRP A 1 191 ? 9.012 -7.087 11.703 1.00 9.36 ? 211 TRP A N 1 ATOM 1500 C CA . TRP A 1 191 ? 8.307 -5.961 12.363 1.00 8.98 ? 211 TRP A CA 1 ATOM 1501 C C . TRP A 1 191 ? 6.846 -5.862 11.993 1.00 9.44 ? 211 TRP A C 1 ATOM 1502 O O . TRP A 1 191 ? 6.067 -5.181 12.729 1.00 8.78 ? 211 TRP A O 1 ATOM 1503 C CB . TRP A 1 191 ? 8.984 -4.624 12.065 1.00 9.26 ? 211 TRP A CB 1 ATOM 1504 C CG . TRP A 1 191 ? 10.334 -4.446 12.701 1.00 9.88 ? 211 TRP A CG 1 ATOM 1505 C CD1 . TRP A 1 191 ? 10.994 -5.298 13.570 1.00 9.61 ? 211 TRP A CD1 1 ATOM 1506 C CD2 . TRP A 1 191 ? 11.206 -3.311 12.534 1.00 10.15 ? 211 TRP A CD2 1 ATOM 1507 N NE1 . TRP A 1 191 ? 12.165 -4.748 13.963 1.00 9.81 ? 211 TRP A NE1 1 ATOM 1508 C CE2 . TRP A 1 191 ? 12.328 -3.525 13.358 1.00 10.19 ? 211 TRP A CE2 1 ATOM 1509 C CE3 . TRP A 1 191 ? 11.129 -2.134 11.792 1.00 10.39 ? 211 TRP A CE3 1 ATOM 1510 C CZ2 . TRP A 1 191 ? 13.381 -2.594 13.445 1.00 10.32 ? 211 TRP A CZ2 1 ATOM 1511 C CZ3 . TRP A 1 191 ? 12.181 -1.235 11.853 1.00 10.58 ? 211 TRP A CZ3 1 ATOM 1512 C CH2 . TRP A 1 191 ? 13.277 -1.459 12.701 1.00 11.02 ? 211 TRP A CH2 1 ATOM 1513 N N . THR A 1 192 ? 6.458 -6.494 10.869 1.00 9.08 ? 212 THR A N 1 ATOM 1514 C CA . THR A 1 192 ? 5.044 -6.525 10.459 1.00 10.71 ? 212 THR A CA 1 ATOM 1515 C C . THR A 1 192 ? 4.381 -7.882 10.574 1.00 12.46 ? 212 THR A C 1 ATOM 1516 O O . THR A 1 192 ? 3.233 -8.073 10.163 1.00 12.56 ? 212 THR A O 1 ATOM 1517 C CB . THR A 1 192 ? 4.801 -5.908 9.046 1.00 11.26 ? 212 THR A CB 1 ATOM 1518 O OG1 . THR A 1 192 ? 5.646 -6.545 8.083 1.00 12.32 ? 212 THR A OG1 1 ATOM 1519 C CG2 . THR A 1 192 ? 5.126 -4.461 9.068 1.00 11.61 ? 212 THR A CG2 1 ATOM 1520 N N . ASP A 1 193 ? 5.059 -8.832 11.190 1.00 14.65 ? 213 ASP A N 1 ATOM 1521 C CA . ASP A 1 193 ? 4.378 -10.049 11.578 1.00 16.69 ? 213 ASP A CA 1 ATOM 1522 C C . ASP A 1 193 ? 3.240 -9.960 12.511 1.00 14.68 ? 213 ASP A C 1 ATOM 1523 O O . ASP A 1 193 ? 3.224 -9.175 13.467 1.00 17.08 ? 213 ASP A O 1 ATOM 1524 C CB . ASP A 1 193 ? 5.381 -11.038 12.070 1.00 20.37 ? 213 ASP A CB 1 ATOM 1525 C CG . ASP A 1 193 ? 5.990 -11.720 10.927 1.00 22.90 ? 213 ASP A CG 1 ATOM 1526 O OD1 . ASP A 1 193 ? 5.263 -12.530 10.287 1.00 32.61 ? 213 ASP A OD1 1 ATOM 1527 O OD2 . ASP A 1 193 ? 7.142 -11.448 10.649 1.00 28.15 ? 213 ASP A OD2 1 ATOM 1528 N N . GLY A 1 194 ? 2.222 -10.721 12.145 1.00 15.66 ? 214 GLY A N 1 ATOM 1529 C CA . GLY A 1 194 ? 0.971 -10.689 12.835 1.00 15.20 ? 214 GLY A CA 1 ATOM 1530 C C . GLY A 1 194 ? 0.050 -9.539 12.485 1.00 14.26 ? 214 GLY A C 1 ATOM 1531 O O . GLY A 1 194 ? -1.059 -9.462 13.050 1.00 13.87 ? 214 GLY A O 1 ATOM 1532 N N . ILE A 1 195 ? 0.490 -8.618 11.609 1.00 14.24 ? 215 ILE A N 1 ATOM 1533 C CA . ILE A 1 195 ? -0.365 -7.476 11.184 1.00 12.72 ? 215 ILE A CA 1 ATOM 1534 C C . ILE A 1 195 ? -1.672 -8.017 10.571 1.00 11.83 ? 215 ILE A C 1 ATOM 1535 O O . ILE A 1 195 ? -1.632 -8.906 9.697 1.00 10.39 ? 215 ILE A O 1 ATOM 1536 C CB . ILE A 1 195 ? 0.430 -6.511 10.257 1.00 13.42 ? 215 ILE A CB 1 ATOM 1537 C CG1 . ILE A 1 195 ? -0.257 -5.181 10.115 1.00 14.58 ? 215 ILE A CG1 1 ATOM 1538 C CG2 . ILE A 1 195 ? 0.652 -7.074 8.852 1.00 13.78 ? 215 ILE A CG2 1 ATOM 1539 C CD1 . ILE A 1 195 ? 0.658 -4.125 9.463 1.00 16.48 ? 215 ILE A CD1 1 ATOM 1540 N N . ASP A 1 196 ? -2.815 -7.520 11.029 1.00 10.62 ? 216 ASP A N 1 ATOM 1541 C CA . ASP A 1 196 ? -4.116 -7.987 10.560 1.00 10.88 ? 216 ASP A CA 1 ATOM 1542 C C . ASP A 1 196 ? -5.107 -6.785 10.525 1.00 10.62 ? 216 ASP A C 1 ATOM 1543 O O . ASP A 1 196 ? -5.636 -6.365 11.527 1.00 9.63 ? 216 ASP A O 1 ATOM 1544 C CB . ASP A 1 196 ? -4.612 -9.128 11.439 1.00 11.45 ? 216 ASP A CB 1 ATOM 1545 C CG . ASP A 1 196 ? -5.968 -9.708 10.993 1.00 13.42 ? 216 ASP A CG 1 ATOM 1546 O OD1 . ASP A 1 196 ? -6.543 -9.217 9.990 1.00 12.98 ? 216 ASP A OD1 1 ATOM 1547 O OD2 . ASP A 1 196 ? -6.450 -10.619 11.710 1.00 13.37 ? 216 ASP A OD2 1 ATOM 1548 N N . ILE A 1 197 ? -5.381 -6.314 9.305 1.00 10.24 ? 217 ILE A N 1 ATOM 1549 C CA . ILE A 1 197 ? -6.295 -5.214 9.063 1.00 10.02 ? 217 ILE A CA 1 ATOM 1550 C C . ILE A 1 197 ? -7.703 -5.457 9.566 1.00 10.03 ? 217 ILE A C 1 ATOM 1551 O O . ILE A 1 197 ? -8.400 -4.509 9.900 1.00 9.50 ? 217 ILE A O 1 ATOM 1552 C CB . ILE A 1 197 ? -6.267 -4.805 7.562 1.00 10.39 ? 217 ILE A CB 1 ATOM 1553 C CG1 . ILE A 1 197 ? -6.847 -3.411 7.333 1.00 10.72 ? 217 ILE A CG1 1 ATOM 1554 C CG2 . ILE A 1 197 ? -6.876 -5.873 6.681 1.00 10.50 ? 217 ILE A CG2 1 ATOM 1555 C CD1 . ILE A 1 197 ? -6.191 -2.280 8.106 1.00 10.87 ? 217 ILE A CD1 1 ATOM 1556 N N . LYS A 1 198 ? -8.099 -6.722 9.695 1.00 11.20 ? 218 LYS A N 1 ATOM 1557 C CA . LYS A 1 198 ? -9.417 -7.100 10.218 1.00 11.53 ? 218 LYS A CA 1 ATOM 1558 C C . LYS A 1 198 ? -9.467 -7.179 11.722 1.00 10.78 ? 218 LYS A C 1 ATOM 1559 O O . LYS A 1 198 ? -10.542 -7.377 12.300 1.00 10.45 ? 218 LYS A O 1 ATOM 1560 C CB . LYS A 1 198 ? -9.817 -8.442 9.634 1.00 13.14 ? 218 LYS A CB 1 ATOM 1561 C CG . LYS A 1 198 ? -9.819 -8.485 8.109 1.00 15.56 ? 218 LYS A CG 1 ATOM 1562 C CD . LYS A 1 198 ? -10.829 -7.514 7.499 1.00 17.13 ? 218 LYS A CD 1 ATOM 1563 C CE . LYS A 1 198 ? -11.011 -7.858 5.997 1.00 20.72 ? 218 LYS A CE 1 ATOM 1564 N NZ . LYS A 1 198 ? -12.114 -7.020 5.424 1.00 23.45 ? 218 LYS A NZ 1 ATOM 1565 N N . ASP A 1 199 ? -8.310 -7.028 12.373 1.00 9.85 ? 219 ASP A N 1 ATOM 1566 C CA . ASP A 1 199 ? -8.215 -7.053 13.828 1.00 9.23 ? 219 ASP A CA 1 ATOM 1567 C C . ASP A 1 199 ? -7.274 -5.917 14.262 1.00 8.28 ? 219 ASP A C 1 ATOM 1568 O O . ASP A 1 199 ? -6.127 -6.145 14.605 1.00 7.94 ? 219 ASP A O 1 ATOM 1569 C CB . ASP A 1 199 ? -7.706 -8.433 14.297 1.00 9.52 ? 219 ASP A CB 1 ATOM 1570 C CG . ASP A 1 199 ? -7.982 -8.717 15.731 1.00 10.48 ? 219 ASP A CG 1 ATOM 1571 O OD1 . ASP A 1 199 ? -8.245 -7.789 16.537 1.00 11.08 ? 219 ASP A OD1 1 ATOM 1572 O OD2 . ASP A 1 199 ? -7.896 -9.902 16.109 1.00 10.89 ? 219 ASP A OD2 1 ATOM 1573 N N . PRO A 1 200 ? -7.778 -4.705 14.281 1.00 8.64 ? 220 PRO A N 1 ATOM 1574 C CA . PRO A 1 200 ? -6.976 -3.558 14.787 1.00 8.28 ? 220 PRO A CA 1 ATOM 1575 C C . PRO A 1 200 ? -6.590 -3.620 16.229 1.00 8.02 ? 220 PRO A C 1 ATOM 1576 O O . PRO A 1 200 ? -5.467 -3.239 16.592 1.00 8.47 ? 220 PRO A O 1 ATOM 1577 C CB . PRO A 1 200 ? -7.876 -2.362 14.533 1.00 8.57 ? 220 PRO A CB 1 ATOM 1578 C CG . PRO A 1 200 ? -8.692 -2.773 13.413 1.00 9.35 ? 220 PRO A CG 1 ATOM 1579 C CD . PRO A 1 200 ? -9.009 -4.227 13.668 1.00 8.66 ? 220 PRO A CD 1 ATOM 1580 N N . VAL A 1 201 ? -7.460 -4.158 17.064 1.00 8.39 ? 221 VAL A N 1 ATOM 1581 C CA . VAL A 1 201 ? -7.135 -4.314 18.490 1.00 7.70 ? 221 VAL A CA 1 ATOM 1582 C C . VAL A 1 201 ? -5.926 -5.243 18.682 1.00 7.34 ? 221 VAL A C 1 ATOM 1583 O O . VAL A 1 201 ? -4.916 -4.911 19.321 1.00 6.69 ? 221 VAL A O 1 ATOM 1584 C CB . VAL A 1 201 ? -8.381 -4.782 19.283 1.00 8.26 ? 221 VAL A CB 1 ATOM 1585 C CG1 . VAL A 1 201 ? -8.056 -5.037 20.754 1.00 8.64 ? 221 VAL A CG1 1 ATOM 1586 C CG2 . VAL A 1 201 ? -9.496 -3.752 19.206 1.00 8.82 ? 221 VAL A CG2 1 ATOM 1587 N N . SER A 1 202 ? -5.997 -6.442 18.127 1.00 7.77 ? 222 SER A N 1 ATOM 1588 C CA . SER A 1 202 ? -4.895 -7.383 18.278 1.00 8.05 ? 222 SER A CA 1 ATOM 1589 C C . SER A 1 202 ? -3.604 -6.812 17.724 1.00 7.63 ? 222 SER A C 1 ATOM 1590 O O . SER A 1 202 ? -2.531 -6.914 18.361 1.00 8.05 ? 222 SER A O 1 ATOM 1591 C CB A SER A 1 202 ? -5.179 -8.662 17.505 0.50 8.17 ? 222 SER A CB 1 ATOM 1592 C CB B SER A 1 202 ? -5.230 -8.718 17.625 0.50 7.94 ? 222 SER A CB 1 ATOM 1593 O OG A SER A 1 202 ? -4.096 -9.552 17.660 0.50 8.66 ? 222 SER A OG 1 ATOM 1594 O OG B SER A 1 202 ? -6.281 -9.344 18.352 0.50 7.91 ? 222 SER A OG 1 ATOM 1595 N N . THR A 1 203 ? -3.707 -6.212 16.530 1.00 7.41 ? 223 THR A N 1 ATOM 1596 C CA . THR A 1 203 ? -2.521 -5.669 15.847 1.00 7.04 ? 223 THR A CA 1 ATOM 1597 C C . THR A 1 203 ? -1.841 -4.563 16.654 1.00 6.43 ? 223 THR A C 1 ATOM 1598 O O . THR A 1 203 ? -0.596 -4.618 16.946 1.00 5.70 ? 223 THR A O 1 ATOM 1599 C CB . THR A 1 203 ? -2.886 -5.141 14.423 1.00 7.54 ? 223 THR A CB 1 ATOM 1600 O OG1 . THR A 1 203 ? -3.351 -6.223 13.610 1.00 7.48 ? 223 THR A OG1 1 ATOM 1601 C CG2 . THR A 1 203 ? -1.665 -4.537 13.730 1.00 8.01 ? 223 THR A CG2 1 ATOM 1602 N N . SER A 1 204 ? -2.633 -3.571 17.062 1.00 5.89 ? 224 SER A N 1 ATOM 1603 C CA . SER A 1 204 ? -2.063 -2.452 17.768 1.00 6.18 ? 224 SER A CA 1 ATOM 1604 C C . SER A 1 204 ? -1.597 -2.894 19.184 1.00 6.11 ? 224 SER A C 1 ATOM 1605 O O . SER A 1 204 ? -0.646 -2.303 19.712 1.00 5.93 ? 224 SER A O 1 ATOM 1606 C CB . SER A 1 204 ? -3.016 -1.237 17.795 1.00 6.18 ? 224 SER A CB 1 ATOM 1607 O OG . SER A 1 204 ? -4.212 -1.583 18.445 1.00 6.25 ? 224 SER A OG 1 ATOM 1608 N N . MET A 1 205 ? -2.232 -3.926 19.783 1.00 6.30 ? 225 MET A N 1 ATOM 1609 C CA . MET A 1 205 ? -1.711 -4.521 21.022 1.00 6.41 ? 225 MET A CA 1 ATOM 1610 C C . MET A 1 205 ? -0.340 -5.160 20.905 1.00 6.38 ? 225 MET A C 1 ATOM 1611 O O . MET A 1 205 ? 0.469 -5.084 21.831 1.00 5.92 ? 225 MET A O 1 ATOM 1612 C CB . MET A 1 205 ? -2.726 -5.510 21.629 1.00 7.18 ? 225 MET A CB 1 ATOM 1613 C CG . MET A 1 205 ? -3.869 -4.819 22.346 1.00 7.37 ? 225 MET A CG 1 ATOM 1614 S SD . MET A 1 205 ? -3.428 -3.888 23.832 1.00 8.71 ? 225 MET A SD 1 ATOM 1615 C CE . MET A 1 205 ? -2.855 -5.275 24.861 1.00 8.46 ? 225 MET A CE 1 ATOM 1616 N N . ILE A 1 206 ? -0.051 -5.785 19.755 1.00 6.36 ? 226 ILE A N 1 ATOM 1617 C CA . ILE A 1 206 ? 1.285 -6.277 19.506 1.00 6.90 ? 226 ILE A CA 1 ATOM 1618 C C . ILE A 1 206 ? 2.278 -5.131 19.647 1.00 6.82 ? 226 ILE A C 1 ATOM 1619 O O . ILE A 1 206 ? 3.298 -5.253 20.330 1.00 6.81 ? 226 ILE A O 1 ATOM 1620 C CB . ILE A 1 206 ? 1.484 -6.910 18.119 1.00 7.58 ? 226 ILE A CB 1 ATOM 1621 C CG1 . ILE A 1 206 ? 0.583 -8.156 17.962 1.00 8.93 ? 226 ILE A CG1 1 ATOM 1622 C CG2 . ILE A 1 206 ? 2.951 -7.181 17.853 1.00 7.48 ? 226 ILE A CG2 1 ATOM 1623 C CD1 . ILE A 1 206 ? 0.526 -8.699 16.540 1.00 9.75 ? 226 ILE A CD1 1 ATOM 1624 N N . TRP A 1 207 ? 1.966 -4.033 19.019 1.00 6.53 ? 227 TRP A N 1 ATOM 1625 C CA . TRP A 1 207 ? 2.907 -2.925 18.971 1.00 7.07 ? 227 TRP A CA 1 ATOM 1626 C C . TRP A 1 207 ? 3.056 -2.264 20.353 1.00 6.64 ? 227 TRP A C 1 ATOM 1627 O O . TRP A 1 207 ? 4.177 -1.944 20.785 1.00 6.70 ? 227 TRP A O 1 ATOM 1628 C CB . TRP A 1 207 ? 2.462 -1.915 17.925 1.00 8.37 ? 227 TRP A CB 1 ATOM 1629 C CG . TRP A 1 207 ? 2.337 -2.442 16.511 1.00 9.99 ? 227 TRP A CG 1 ATOM 1630 C CD1 . TRP A 1 207 ? 2.921 -3.547 15.981 1.00 11.23 ? 227 TRP A CD1 1 ATOM 1631 C CD2 . TRP A 1 207 ? 1.511 -1.895 15.470 1.00 12.86 ? 227 TRP A CD2 1 ATOM 1632 N NE1 . TRP A 1 207 ? 2.541 -3.693 14.671 1.00 12.49 ? 227 TRP A NE1 1 ATOM 1633 C CE2 . TRP A 1 207 ? 1.661 -2.706 14.342 1.00 12.97 ? 227 TRP A CE2 1 ATOM 1634 C CE3 . TRP A 1 207 ? 0.640 -0.790 15.405 1.00 14.40 ? 227 TRP A CE3 1 ATOM 1635 C CZ2 . TRP A 1 207 ? 1.003 -2.436 13.128 1.00 13.79 ? 227 TRP A CZ2 1 ATOM 1636 C CZ3 . TRP A 1 207 ? -0.008 -0.528 14.199 1.00 14.91 ? 227 TRP A CZ3 1 ATOM 1637 C CH2 . TRP A 1 207 ? 0.184 -1.336 13.096 1.00 13.85 ? 227 TRP A CH2 1 ATOM 1638 N N . ALA A 1 208 ? 1.943 -2.111 21.065 1.00 6.00 ? 228 ALA A N 1 ATOM 1639 C CA . ALA A 1 208 ? 1.928 -1.538 22.382 1.00 5.85 ? 228 ALA A CA 1 ATOM 1640 C C . ALA A 1 208 ? 2.704 -2.448 23.372 1.00 5.80 ? 228 ALA A C 1 ATOM 1641 O O . ALA A 1 208 ? 3.480 -1.961 24.237 1.00 5.90 ? 228 ALA A O 1 ATOM 1642 C CB . ALA A 1 208 ? 0.501 -1.321 22.828 1.00 5.78 ? 228 ALA A CB 1 ATOM 1643 N N . ALA A 1 209 ? 2.476 -3.770 23.266 1.00 5.61 ? 229 ALA A N 1 ATOM 1644 C CA . ALA A 1 209 ? 3.213 -4.719 24.085 1.00 5.50 ? 229 ALA A CA 1 ATOM 1645 C C . ALA A 1 209 ? 4.720 -4.675 23.793 1.00 5.64 ? 229 ALA A C 1 ATOM 1646 O O . ALA A 1 209 ? 5.539 -4.735 24.741 1.00 5.98 ? 229 ALA A O 1 ATOM 1647 C CB . ALA A 1 209 ? 2.640 -6.118 23.927 1.00 5.56 ? 229 ALA A CB 1 ATOM 1648 N N . ASP A 1 210 ? 5.100 -4.513 22.511 1.00 5.65 ? 230 ASP A N 1 ATOM 1649 C CA . ASP A 1 210 ? 6.519 -4.400 22.122 1.00 5.97 ? 230 ASP A CA 1 ATOM 1650 C C . ASP A 1 210 ? 7.143 -3.183 22.796 1.00 5.99 ? 230 ASP A C 1 ATOM 1651 O O . ASP A 1 210 ? 8.165 -3.266 23.470 1.00 6.52 ? 230 ASP A O 1 ATOM 1652 C CB . ASP A 1 210 ? 6.614 -4.333 20.585 1.00 6.04 ? 230 ASP A CB 1 ATOM 1653 C CG . ASP A 1 210 ? 7.978 -4.382 20.047 1.00 6.26 ? 230 ASP A CG 1 ATOM 1654 O OD1 . ASP A 1 210 ? 8.890 -4.940 20.686 1.00 6.72 ? 230 ASP A OD1 1 ATOM 1655 O OD2 . ASP A 1 210 ? 8.150 -3.950 18.848 1.00 6.55 ? 230 ASP A OD2 1 ATOM 1656 N N . ALA A 1 211 ? 6.524 -2.046 22.636 1.00 6.32 ? 231 ALA A N 1 ATOM 1657 C CA . ALA A 1 211 ? 7.051 -0.804 23.229 1.00 6.51 ? 231 ALA A CA 1 ATOM 1658 C C . ALA A 1 211 ? 7.108 -0.943 24.774 1.00 6.67 ? 231 ALA A C 1 ATOM 1659 O O . ALA A 1 211 ? 8.078 -0.516 25.435 1.00 6.86 ? 231 ALA A O 1 ATOM 1660 C CB . ALA A 1 211 ? 6.177 0.365 22.813 1.00 6.69 ? 231 ALA A CB 1 ATOM 1661 N N . ASN A 1 212 ? 6.039 -1.483 25.344 1.00 6.89 ? 232 ASN A N 1 ATOM 1662 C CA . ASN A 1 212 ? 5.948 -1.629 26.777 1.00 6.87 ? 232 ASN A CA 1 ATOM 1663 C C . ASN A 1 212 ? 7.123 -2.440 27.404 1.00 7.13 ? 232 ASN A C 1 ATOM 1664 O O . ASN A 1 212 ? 7.551 -2.114 28.504 1.00 7.06 ? 232 ASN A O 1 ATOM 1665 C CB . ASN A 1 212 ? 4.611 -2.233 27.157 1.00 6.92 ? 232 ASN A CB 1 ATOM 1666 C CG . ASN A 1 212 ? 4.559 -2.726 28.618 1.00 6.83 ? 232 ASN A CG 1 ATOM 1667 O OD1 . ASN A 1 212 ? 4.818 -3.880 28.881 1.00 6.75 ? 232 ASN A OD1 1 ATOM 1668 N ND2 . ASN A 1 212 ? 4.180 -1.834 29.560 1.00 6.93 ? 232 ASN A ND2 1 ATOM 1669 N N . THR A 1 213 ? 7.643 -3.470 26.710 1.00 7.69 ? 233 THR A N 1 ATOM 1670 C CA . THR A 1 213 ? 8.808 -4.230 27.218 1.00 8.19 ? 233 THR A CA 1 ATOM 1671 C C . THR A 1 213 ? 9.979 -3.344 27.590 1.00 8.33 ? 233 THR A C 1 ATOM 1672 O O . THR A 1 213 ? 10.666 -3.601 28.567 1.00 8.32 ? 233 THR A O 1 ATOM 1673 C CB . THR A 1 213 ? 9.337 -5.339 26.286 1.00 8.62 ? 233 THR A CB 1 ATOM 1674 O OG1 . THR A 1 213 ? 9.792 -4.794 25.015 1.00 9.66 ? 233 THR A OG1 1 ATOM 1675 C CG2 . THR A 1 213 ? 8.239 -6.343 26.019 1.00 8.78 ? 233 THR A CG2 1 ATOM 1676 N N . TYR A 1 214 ? 10.161 -2.268 26.811 1.00 8.12 ? 234 TYR A N 1 ATOM 1677 C CA . TYR A 1 214 ? 11.241 -1.331 27.024 1.00 8.02 ? 234 TYR A CA 1 ATOM 1678 C C . TYR A 1 214 ? 11.049 -0.464 28.256 1.00 7.84 ? 234 TYR A C 1 ATOM 1679 O O . TYR A 1 214 ? 12.006 0.117 28.768 1.00 7.48 ? 234 TYR A O 1 ATOM 1680 C CB . TYR A 1 214 ? 11.447 -0.530 25.738 1.00 8.37 ? 234 TYR A CB 1 ATOM 1681 C CG . TYR A 1 214 ? 11.944 -1.405 24.634 1.00 8.73 ? 234 TYR A CG 1 ATOM 1682 C CD1 . TYR A 1 214 ? 13.294 -1.777 24.566 1.00 9.48 ? 234 TYR A CD1 1 ATOM 1683 C CD2 . TYR A 1 214 ? 11.087 -1.906 23.677 1.00 8.90 ? 234 TYR A CD2 1 ATOM 1684 C CE1 . TYR A 1 214 ? 13.765 -2.606 23.546 1.00 9.54 ? 234 TYR A CE1 1 ATOM 1685 C CE2 . TYR A 1 214 ? 11.547 -2.717 22.672 1.00 9.28 ? 234 TYR A CE2 1 ATOM 1686 C CZ . TYR A 1 214 ? 12.915 -3.046 22.601 1.00 9.61 ? 234 TYR A CZ 1 ATOM 1687 O OH . TYR A 1 214 ? 13.338 -3.847 21.595 1.00 9.19 ? 234 TYR A OH 1 ATOM 1688 N N . VAL A 1 215 ? 9.832 -0.428 28.794 1.00 7.61 ? 235 VAL A N 1 ATOM 1689 C CA . VAL A 1 215 ? 9.645 0.193 30.119 1.00 8.53 ? 235 VAL A CA 1 ATOM 1690 C C . VAL A 1 215 ? 10.536 -0.491 31.169 1.00 9.00 ? 235 VAL A C 1 ATOM 1691 O O . VAL A 1 215 ? 11.250 0.154 31.943 1.00 10.06 ? 235 VAL A O 1 ATOM 1692 C CB . VAL A 1 215 ? 8.178 0.239 30.571 1.00 7.97 ? 235 VAL A CB 1 ATOM 1693 C CG1 . VAL A 1 215 ? 8.045 0.884 31.914 1.00 8.10 ? 235 VAL A CG1 1 ATOM 1694 C CG2 . VAL A 1 215 ? 7.331 1.015 29.557 1.00 8.36 ? 235 VAL A CG2 1 ATOM 1695 N N . CYS A 1 216 ? 10.503 -1.814 31.150 1.00 9.33 ? 236 CYS A N 1 ATOM 1696 C CA . CYS A 1 216 ? 11.308 -2.623 32.046 1.00 9.29 ? 236 CYS A CA 1 ATOM 1697 C C . CYS A 1 216 ? 12.789 -2.725 31.682 1.00 9.43 ? 236 CYS A C 1 ATOM 1698 O O . CYS A 1 216 ? 13.637 -2.738 32.604 1.00 10.65 ? 236 CYS A O 1 ATOM 1699 C CB . CYS A 1 216 ? 10.671 -4.020 32.158 1.00 9.21 ? 236 CYS A CB 1 ATOM 1700 S SG . CYS A 1 216 ? 9.179 -4.122 33.137 1.00 9.63 ? 236 CYS A SG 1 ATOM 1701 N N . SER A 1 217 ? 13.093 -2.870 30.401 1.00 9.73 ? 237 SER A N 1 ATOM 1702 C CA . SER A 1 217 ? 14.450 -3.154 29.943 1.00 9.66 ? 237 SER A CA 1 ATOM 1703 C C . SER A 1 217 ? 15.295 -1.908 29.917 1.00 10.07 ? 237 SER A C 1 ATOM 1704 O O . SER A 1 217 ? 16.522 -2.025 30.017 1.00 9.36 ? 237 SER A O 1 ATOM 1705 C CB . SER A 1 217 ? 14.498 -3.858 28.570 1.00 9.80 ? 237 SER A CB 1 ATOM 1706 O OG . SER A 1 217 ? 14.171 -3.045 27.471 1.00 9.57 ? 237 SER A OG 1 ATOM 1707 N N . THR A 1 218 ? 14.670 -0.743 29.709 1.00 10.39 ? 238 THR A N 1 ATOM 1708 C CA . THR A 1 218 ? 15.428 0.448 29.326 1.00 10.87 ? 238 THR A CA 1 ATOM 1709 C C . THR A 1 218 ? 15.017 1.697 30.089 1.00 10.92 ? 238 THR A C 1 ATOM 1710 O O . THR A 1 218 ? 15.880 2.406 30.576 1.00 11.79 ? 238 THR A O 1 ATOM 1711 C CB . THR A 1 218 ? 15.335 0.738 27.811 1.00 11.23 ? 238 THR A CB 1 ATOM 1712 O OG1 . THR A 1 218 ? 15.633 -0.450 27.093 1.00 11.52 ? 238 THR A OG1 1 ATOM 1713 C CG2 . THR A 1 218 ? 16.273 1.860 27.383 1.00 12.22 ? 238 THR A CG2 1 ATOM 1714 N N . VAL A 1 219 ? 13.729 1.978 30.141 1.00 10.51 ? 239 VAL A N 1 ATOM 1715 C CA . VAL A 1 219 ? 13.248 3.223 30.723 1.00 10.81 ? 239 VAL A CA 1 ATOM 1716 C C . VAL A 1 219 ? 13.516 3.267 32.201 1.00 10.48 ? 239 VAL A C 1 ATOM 1717 O O . VAL A 1 219 ? 13.981 4.270 32.688 1.00 11.06 ? 239 VAL A O 1 ATOM 1718 C CB . VAL A 1 219 ? 11.715 3.442 30.522 1.00 10.19 ? 239 VAL A CB 1 ATOM 1719 C CG1 . VAL A 1 219 ? 11.285 4.751 31.085 1.00 10.31 ? 239 VAL A CG1 1 ATOM 1720 C CG2 . VAL A 1 219 ? 11.415 3.496 29.031 1.00 10.22 ? 239 VAL A CG2 1 ATOM 1721 N N . LEU A 1 220 ? 13.155 2.189 32.898 1.00 10.71 ? 240 LEU A N 1 ATOM 1722 C CA . LEU A 1 220 ? 13.168 2.160 34.381 1.00 10.71 ? 240 LEU A CA 1 ATOM 1723 C C . LEU A 1 220 ? 14.130 1.136 35.024 1.00 11.61 ? 240 LEU A C 1 ATOM 1724 O O . LEU A 1 220 ? 14.140 0.977 36.264 1.00 11.21 ? 240 LEU A O 1 ATOM 1725 C CB . LEU A 1 220 ? 11.759 1.907 34.878 1.00 11.51 ? 240 LEU A CB 1 ATOM 1726 C CG . LEU A 1 220 ? 10.721 2.993 34.588 1.00 11.44 ? 240 LEU A CG 1 ATOM 1727 C CD1 . LEU A 1 220 ? 9.359 2.536 35.108 1.00 11.74 ? 240 LEU A CD1 1 ATOM 1728 C CD2 . LEU A 1 220 ? 11.159 4.285 35.263 1.00 12.08 ? 240 LEU A CD2 1 ATOM 1729 N N . ASP A 1 221 ? 14.918 0.422 34.211 1.00 11.74 ? 241 ASP A N 1 ATOM 1730 C CA . ASP A 1 221 ? 15.778 -0.628 34.800 1.00 13.50 ? 241 ASP A CA 1 ATOM 1731 C C . ASP A 1 221 ? 16.910 -0.139 35.738 1.00 13.49 ? 241 ASP A C 1 ATOM 1732 O O . ASP A 1 221 ? 17.378 -0.904 36.575 1.00 12.79 ? 241 ASP A O 1 ATOM 1733 C CB . ASP A 1 221 ? 16.377 -1.524 33.720 1.00 14.32 ? 241 ASP A CB 1 ATOM 1734 C CG . ASP A 1 221 ? 17.345 -0.853 32.881 1.00 14.95 ? 241 ASP A CG 1 ATOM 1735 O OD1 . ASP A 1 221 ? 17.011 0.240 32.401 1.00 15.49 ? 241 ASP A OD1 1 ATOM 1736 O OD2 . ASP A 1 221 ? 18.450 -1.459 32.635 1.00 16.22 ? 241 ASP A OD2 1 ATOM 1737 N N . ASP A 1 222 ? 17.300 1.133 35.612 1.00 13.53 ? 242 ASP A N 1 ATOM 1738 C CA . ASP A 1 222 ? 18.244 1.707 36.561 1.00 15.39 ? 242 ASP A CA 1 ATOM 1739 C C . ASP A 1 222 ? 17.660 1.889 37.988 1.00 14.25 ? 242 ASP A C 1 ATOM 1740 O O . ASP A 1 222 ? 18.418 2.101 38.914 1.00 15.74 ? 242 ASP A O 1 ATOM 1741 C CB . ASP A 1 222 ? 18.773 3.062 36.087 1.00 16.71 ? 242 ASP A CB 1 ATOM 1742 C CG . ASP A 1 222 ? 19.491 2.961 34.808 1.00 19.39 ? 242 ASP A CG 1 ATOM 1743 O OD1 . ASP A 1 222 ? 20.414 2.140 34.735 1.00 26.71 ? 242 ASP A OD1 1 ATOM 1744 O OD2 . ASP A 1 222 ? 19.106 3.578 33.842 1.00 19.91 ? 242 ASP A OD2 1 ATOM 1745 N N . GLY A 1 223 ? 16.342 1.822 38.153 1.00 12.63 ? 243 GLY A N 1 ATOM 1746 C CA . GLY A 1 223 ? 15.714 2.013 39.430 1.00 12.28 ? 243 GLY A CA 1 ATOM 1747 C C . GLY A 1 223 ? 15.392 3.468 39.651 1.00 11.84 ? 243 GLY A C 1 ATOM 1748 O O . GLY A 1 223 ? 16.068 4.363 39.114 1.00 13.39 ? 243 GLY A O 1 ATOM 1749 N N . LEU A 1 224 ? 14.382 3.718 40.443 1.00 12.39 ? 244 LEU A N 1 ATOM 1750 C CA . LEU A 1 224 ? 13.873 5.103 40.606 1.00 14.46 ? 244 LEU A CA 1 ATOM 1751 C C . LEU A 1 224 ? 14.802 6.020 41.398 1.00 15.42 ? 244 LEU A C 1 ATOM 1752 O O . LEU A 1 224 ? 14.789 7.259 41.166 1.00 15.92 ? 244 LEU A O 1 ATOM 1753 C CB . LEU A 1 224 ? 12.498 5.094 41.231 1.00 14.58 ? 244 LEU A CB 1 ATOM 1754 C CG . LEU A 1 224 ? 11.350 4.527 40.397 1.00 14.19 ? 244 LEU A CG 1 ATOM 1755 C CD1 . LEU A 1 224 ? 10.129 4.369 41.269 1.00 14.59 ? 244 LEU A CD1 1 ATOM 1756 C CD2 . LEU A 1 224 ? 11.035 5.352 39.156 1.00 14.34 ? 244 LEU A CD2 1 ATOM 1757 N N . ALA A 1 225 ? 15.593 5.455 42.316 1.00 15.79 ? 245 ALA A N 1 ATOM 1758 C CA . ALA A 1 225 ? 16.609 6.239 43.014 1.00 16.21 ? 245 ALA A CA 1 ATOM 1759 C C . ALA A 1 225 ? 17.571 6.891 42.051 1.00 15.58 ? 245 ALA A C 1 ATOM 1760 O O . ALA A 1 225 ? 17.819 8.102 42.160 1.00 15.16 ? 245 ALA A O 1 ATOM 1761 C CB . ALA A 1 225 ? 17.373 5.351 44.008 1.00 17.29 ? 245 ALA A CB 1 ATOM 1762 N N . TYR A 1 226 ? 18.087 6.100 41.102 1.00 14.90 ? 246 TYR A N 1 ATOM 1763 C CA . TYR A 1 226 ? 19.021 6.551 40.073 1.00 15.21 ? 246 TYR A CA 1 ATOM 1764 C C . TYR A 1 226 ? 18.392 7.633 39.189 1.00 13.79 ? 246 TYR A C 1 ATOM 1765 O O . TYR A 1 226 ? 18.994 8.679 38.908 1.00 13.23 ? 246 TYR A O 1 ATOM 1766 C CB . TYR A 1 226 ? 19.501 5.372 39.183 1.00 14.34 ? 246 TYR A CB 1 ATOM 1767 C CG . TYR A 1 226 ? 20.364 5.807 38.017 1.00 15.62 ? 246 TYR A CG 1 ATOM 1768 C CD1 . TYR A 1 226 ? 19.783 6.305 36.830 1.00 15.84 ? 246 TYR A CD1 1 ATOM 1769 C CD2 . TYR A 1 226 ? 21.752 5.738 38.077 1.00 15.56 ? 246 TYR A CD2 1 ATOM 1770 C CE1 . TYR A 1 226 ? 20.550 6.702 35.748 1.00 15.75 ? 246 TYR A CE1 1 ATOM 1771 C CE2 . TYR A 1 226 ? 22.553 6.168 36.996 1.00 17.04 ? 246 TYR A CE2 1 ATOM 1772 C CZ . TYR A 1 226 ? 21.947 6.628 35.823 1.00 17.16 ? 246 TYR A CZ 1 ATOM 1773 O OH . TYR A 1 226 ? 22.693 7.026 34.737 1.00 16.95 ? 246 TYR A OH 1 ATOM 1774 N N . ILE A 1 227 ? 17.179 7.348 38.744 1.00 14.04 ? 247 ILE A N 1 ATOM 1775 C CA . ILE A 1 227 ? 16.443 8.274 37.868 1.00 15.39 ? 247 ILE A CA 1 ATOM 1776 C C . ILE A 1 227 ? 16.185 9.616 38.545 1.00 15.24 ? 247 ILE A C 1 ATOM 1777 O O . ILE A 1 227 ? 16.228 10.626 37.860 1.00 15.36 ? 247 ILE A O 1 ATOM 1778 C CB . ILE A 1 227 ? 15.139 7.598 37.338 1.00 16.00 ? 247 ILE A CB 1 ATOM 1779 C CG1 . ILE A 1 227 ? 15.527 6.610 36.206 1.00 17.43 ? 247 ILE A CG1 1 ATOM 1780 C CG2 . ILE A 1 227 ? 14.138 8.663 36.880 1.00 15.54 ? 247 ILE A CG2 1 ATOM 1781 C CD1 . ILE A 1 227 ? 14.761 5.306 36.194 1.00 19.89 ? 247 ILE A CD1 1 ATOM 1782 N N . ASN A 1 228 ? 15.864 9.574 39.846 1.00 15.42 ? 248 ASN A N 1 ATOM 1783 C CA . ASN A 1 228 ? 15.609 10.752 40.714 1.00 18.96 ? 248 ASN A CA 1 ATOM 1784 C C . ASN A 1 228 ? 16.818 11.673 40.935 1.00 19.37 ? 248 ASN A C 1 ATOM 1785 O O . ASN A 1 228 ? 16.637 12.889 41.152 1.00 20.38 ? 248 ASN A O 1 ATOM 1786 C CB . ASN A 1 228 ? 15.150 10.295 42.130 1.00 19.49 ? 248 ASN A CB 1 ATOM 1787 C CG . ASN A 1 228 ? 14.805 11.469 43.043 1.00 22.68 ? 248 ASN A CG 1 ATOM 1788 O OD1 . ASN A 1 228 ? 14.000 12.326 42.663 1.00 21.57 ? 248 ASN A OD1 1 ATOM 1789 N ND2 . ASN A 1 228 ? 15.425 11.535 44.255 1.00 22.99 ? 248 ASN A ND2 1 ATOM 1790 N N . SER A 1 229 ? 18.028 11.109 40.886 1.00 18.86 ? 249 SER A N 1 ATOM 1791 C CA . SER A 1 229 ? 19.251 11.795 41.382 1.00 20.68 ? 249 SER A CA 1 ATOM 1792 C C . SER A 1 229 ? 20.384 12.005 40.380 1.00 19.62 ? 249 SER A C 1 ATOM 1793 O O . SER A 1 229 ? 21.377 12.663 40.707 1.00 21.49 ? 249 SER A O 1 ATOM 1794 C CB . SER A 1 229 ? 19.785 10.999 42.565 1.00 21.47 ? 249 SER A CB 1 ATOM 1795 O OG . SER A 1 229 ? 20.401 9.797 42.126 1.00 21.24 ? 249 SER A OG 1 ATOM 1796 N N . THR A 1 230 ? 20.234 11.515 39.157 1.00 18.61 ? 250 THR A N 1 ATOM 1797 C CA . THR A 1 230 ? 21.308 11.546 38.167 1.00 17.38 ? 250 THR A CA 1 ATOM 1798 C C . THR A 1 230 ? 20.859 12.383 36.992 1.00 16.27 ? 250 THR A C 1 ATOM 1799 O O . THR A 1 230 ? 19.686 12.316 36.565 1.00 16.00 ? 250 THR A O 1 ATOM 1800 C CB . THR A 1 230 ? 21.652 10.125 37.699 1.00 18.55 ? 250 THR A CB 1 ATOM 1801 O OG1 . THR A 1 230 ? 21.743 9.280 38.850 1.00 20.03 ? 250 THR A OG1 1 ATOM 1802 C CG2 . THR A 1 230 ? 22.977 10.063 36.886 1.00 18.65 ? 250 THR A CG2 1 ATOM 1803 N N . ASP A 1 231 ? 21.772 13.183 36.455 1.00 15.76 ? 251 ASP A N 1 ATOM 1804 C CA . ASP A 1 231 ? 21.525 13.870 35.191 1.00 15.94 ? 251 ASP A CA 1 ATOM 1805 C C . ASP A 1 231 ? 21.422 12.823 34.066 1.00 14.64 ? 251 ASP A C 1 ATOM 1806 O O . ASP A 1 231 ? 22.367 12.134 33.772 1.00 13.69 ? 251 ASP A O 1 ATOM 1807 C CB . ASP A 1 231 ? 22.596 14.918 34.880 1.00 14.95 ? 251 ASP A CB 1 ATOM 1808 C CG . ASP A 1 231 ? 22.180 15.886 33.766 1.00 14.73 ? 251 ASP A CG 1 ATOM 1809 O OD1 . ASP A 1 231 ? 21.699 15.446 32.716 1.00 13.80 ? 251 ASP A OD1 1 ATOM 1810 O OD2 . ASP A 1 231 ? 22.275 17.119 33.918 1.00 15.91 ? 251 ASP A OD2 1 ATOM 1811 N N . LEU A 1 232 ? 20.261 12.766 33.408 1.00 13.74 ? 252 LEU A N 1 ATOM 1812 C CA . LEU A 1 232 ? 19.968 11.734 32.450 1.00 12.04 ? 252 LEU A CA 1 ATOM 1813 C C . LEU A 1 232 ? 20.447 12.007 31.030 1.00 12.59 ? 252 LEU A C 1 ATOM 1814 O O . LEU A 1 232 ? 20.296 11.157 30.159 1.00 12.69 ? 252 LEU A O 1 ATOM 1815 C CB . LEU A 1 232 ? 18.464 11.385 32.526 1.00 12.50 ? 252 LEU A CB 1 ATOM 1816 C CG . LEU A 1 232 ? 17.941 10.944 33.903 1.00 12.37 ? 252 LEU A CG 1 ATOM 1817 C CD1 . LEU A 1 232 ? 16.442 10.588 33.846 1.00 12.04 ? 252 LEU A CD1 1 ATOM 1818 C CD2 . LEU A 1 232 ? 18.698 9.752 34.482 1.00 12.94 ? 252 LEU A CD2 1 ATOM 1819 N N . SER A 1 233 ? 21.119 13.135 30.803 1.00 12.76 ? 253 SER A N 1 ATOM 1820 C CA . SER A 1 233 ? 21.719 13.473 29.497 1.00 13.25 ? 253 SER A CA 1 ATOM 1821 C C . SER A 1 233 ? 23.031 12.751 29.256 1.00 13.42 ? 253 SER A C 1 ATOM 1822 O O . SER A 1 233 ? 23.575 12.799 28.147 1.00 13.61 ? 253 SER A O 1 ATOM 1823 C CB . SER A 1 233 ? 21.875 15.014 29.310 1.00 13.77 ? 253 SER A CB 1 ATOM 1824 O OG . SER A 1 233 ? 22.766 15.578 30.279 1.00 14.53 ? 253 SER A OG 1 ATOM 1825 N N . GLY A 1 234 ? 23.544 12.057 30.272 1.00 14.33 ? 254 GLY A N 1 ATOM 1826 C CA . GLY A 1 234 ? 24.764 11.289 30.132 1.00 14.38 ? 254 GLY A CA 1 ATOM 1827 C C . GLY A 1 234 ? 24.554 9.870 29.678 1.00 13.64 ? 254 GLY A C 1 ATOM 1828 O O . GLY A 1 234 ? 24.039 9.611 28.559 1.00 12.83 ? 254 GLY A O 1 ATOM 1829 N N . GLU A 1 235 ? 24.928 8.937 30.544 1.00 13.93 ? 255 GLU A N 1 ATOM 1830 C CA . GLU A 1 235 ? 24.913 7.520 30.203 1.00 15.93 ? 255 GLU A CA 1 ATOM 1831 C C . GLU A 1 235 ? 23.470 7.015 29.947 1.00 14.74 ? 255 GLU A C 1 ATOM 1832 O O . GLU A 1 235 ? 23.273 6.105 29.105 1.00 13.38 ? 255 GLU A O 1 ATOM 1833 C CB A GLU A 1 235 ? 25.634 6.674 31.284 0.50 16.32 ? 255 GLU A CB 1 ATOM 1834 C CB B GLU A 1 235 ? 25.626 6.674 31.265 0.50 17.76 ? 255 GLU A CB 1 ATOM 1835 C CG A GLU A 1 235 ? 24.908 6.607 32.623 0.50 17.02 ? 255 GLU A CG 1 ATOM 1836 C CG B GLU A 1 235 ? 24.897 6.613 32.592 0.50 19.71 ? 255 GLU A CG 1 ATOM 1837 C CD A GLU A 1 235 ? 25.715 5.996 33.782 0.50 17.48 ? 255 GLU A CD 1 ATOM 1838 C CD B GLU A 1 235 ? 25.696 5.926 33.685 0.50 21.60 ? 255 GLU A CD 1 ATOM 1839 O OE1 A GLU A 1 235 ? 25.104 5.875 34.898 0.50 17.63 ? 255 GLU A OE1 1 ATOM 1840 O OE1 B GLU A 1 235 ? 26.323 4.886 33.394 0.50 21.23 ? 255 GLU A OE1 1 ATOM 1841 O OE2 A GLU A 1 235 ? 26.931 5.677 33.618 0.50 15.97 ? 255 GLU A OE2 1 ATOM 1842 O OE2 B GLU A 1 235 ? 25.664 6.434 34.847 0.50 24.69 ? 255 GLU A OE2 1 ATOM 1843 N N . TYR A 1 236 ? 22.488 7.641 30.607 1.00 13.07 ? 256 TYR A N 1 ATOM 1844 C CA . TYR A 1 236 ? 21.072 7.293 30.365 1.00 12.02 ? 256 TYR A CA 1 ATOM 1845 C C . TYR A 1 236 ? 20.638 7.593 28.917 1.00 11.75 ? 256 TYR A C 1 ATOM 1846 O O . TYR A 1 236 ? 20.033 6.750 28.216 1.00 12.11 ? 256 TYR A O 1 ATOM 1847 C CB . TYR A 1 236 ? 20.188 8.049 31.356 1.00 11.60 ? 256 TYR A CB 1 ATOM 1848 C CG . TYR A 1 236 ? 18.739 7.595 31.337 1.00 10.70 ? 256 TYR A CG 1 ATOM 1849 C CD1 . TYR A 1 236 ? 18.289 6.602 32.167 1.00 11.08 ? 256 TYR A CD1 1 ATOM 1850 C CD2 . TYR A 1 236 ? 17.809 8.230 30.491 1.00 10.36 ? 256 TYR A CD2 1 ATOM 1851 C CE1 . TYR A 1 236 ? 16.942 6.167 32.156 1.00 11.17 ? 256 TYR A CE1 1 ATOM 1852 C CE2 . TYR A 1 236 ? 16.491 7.826 30.473 1.00 10.37 ? 256 TYR A CE2 1 ATOM 1853 C CZ . TYR A 1 236 ? 16.030 6.797 31.292 1.00 10.62 ? 256 TYR A CZ 1 ATOM 1854 O OH . TYR A 1 236 ? 14.648 6.387 31.250 1.00 9.65 ? 256 TYR A OH 1 ATOM 1855 N N . TYR A 1 237 ? 20.928 8.800 28.456 1.00 11.17 ? 257 TYR A N 1 ATOM 1856 C CA . TYR A 1 237 ? 20.789 9.121 27.057 1.00 11.44 ? 257 TYR A CA 1 ATOM 1857 C C . TYR A 1 237 ? 21.517 8.122 26.143 1.00 11.80 ? 257 TYR A C 1 ATOM 1858 O O . TYR A 1 237 ? 20.938 7.674 25.149 1.00 11.69 ? 257 TYR A O 1 ATOM 1859 C CB . TYR A 1 237 ? 21.161 10.570 26.741 1.00 11.14 ? 257 TYR A CB 1 ATOM 1860 C CG . TYR A 1 237 ? 21.192 10.881 25.268 1.00 11.71 ? 257 TYR A CG 1 ATOM 1861 C CD1 . TYR A 1 237 ? 20.030 11.178 24.567 1.00 11.73 ? 257 TYR A CD1 1 ATOM 1862 C CD2 . TYR A 1 237 ? 22.411 10.923 24.561 1.00 12.54 ? 257 TYR A CD2 1 ATOM 1863 C CE1 . TYR A 1 237 ? 20.081 11.464 23.202 1.00 12.67 ? 257 TYR A CE1 1 ATOM 1864 C CE2 . TYR A 1 237 ? 22.455 11.186 23.190 1.00 13.08 ? 257 TYR A CE2 1 ATOM 1865 C CZ . TYR A 1 237 ? 21.293 11.457 22.523 1.00 12.24 ? 257 TYR A CZ 1 ATOM 1866 O OH . TYR A 1 237 ? 21.312 11.762 21.174 1.00 13.10 ? 257 TYR A OH 1 ATOM 1867 N N . ASP A 1 238 ? 22.753 7.753 26.491 1.00 12.14 ? 258 ASP A N 1 ATOM 1868 C CA . ASP A 1 238 ? 23.551 6.936 25.624 1.00 13.02 ? 258 ASP A CA 1 ATOM 1869 C C . ASP A 1 238 ? 22.903 5.582 25.367 1.00 13.08 ? 258 ASP A C 1 ATOM 1870 O O . ASP A 1 238 ? 22.861 5.144 24.237 1.00 14.18 ? 258 ASP A O 1 ATOM 1871 C CB . ASP A 1 238 ? 24.939 6.737 26.193 1.00 13.07 ? 258 ASP A CB 1 ATOM 1872 C CG . ASP A 1 238 ? 25.729 8.024 26.256 1.00 14.73 ? 258 ASP A CG 1 ATOM 1873 O OD1 . ASP A 1 238 ? 25.457 8.959 25.461 1.00 15.32 ? 258 ASP A OD1 1 ATOM 1874 O OD2 . ASP A 1 238 ? 26.592 8.109 27.131 1.00 14.72 ? 258 ASP A OD2 1 ATOM 1875 N N . LYS A 1 239 ? 22.423 4.941 26.412 1.00 13.41 ? 259 LYS A N 1 ATOM 1876 C CA . LYS A 1 239 ? 21.699 3.662 26.270 1.00 14.45 ? 259 LYS A CA 1 ATOM 1877 C C . LYS A 1 239 ? 20.258 3.769 25.741 1.00 13.31 ? 259 LYS A C 1 ATOM 1878 O O . LYS A 1 239 ? 19.721 2.815 25.200 1.00 12.81 ? 259 LYS A O 1 ATOM 1879 C CB . LYS A 1 239 ? 21.779 2.866 27.583 1.00 15.92 ? 259 LYS A CB 1 ATOM 1880 C CG . LYS A 1 239 ? 21.135 3.435 28.814 1.00 17.52 ? 259 LYS A CG 1 ATOM 1881 C CD . LYS A 1 239 ? 19.718 2.940 29.057 1.00 19.17 ? 259 LYS A CD 1 ATOM 1882 C CE . LYS A 1 239 ? 19.074 3.537 30.332 1.00 19.58 ? 259 LYS A CE 1 ATOM 1883 N NZ . LYS A 1 239 ? 18.632 2.450 31.247 1.00 20.22 ? 259 LYS A NZ 1 ATOM 1884 N N . SER A 1 240 ? 19.628 4.923 25.927 1.00 11.66 ? 260 SER A N 1 ATOM 1885 C CA . SER A 1 240 ? 18.239 5.127 25.507 1.00 11.68 ? 260 SER A CA 1 ATOM 1886 C C . SER A 1 240 ? 18.143 5.319 24.003 1.00 11.41 ? 260 SER A C 1 ATOM 1887 O O . SER A 1 240 ? 17.179 4.873 23.349 1.00 10.41 ? 260 SER A O 1 ATOM 1888 C CB . SER A 1 240 ? 17.681 6.333 26.229 1.00 11.41 ? 260 SER A CB 1 ATOM 1889 O OG . SER A 1 240 ? 17.473 6.040 27.608 1.00 11.89 ? 260 SER A OG 1 ATOM 1890 N N . GLN A 1 241 ? 19.159 5.988 23.465 1.00 11.24 ? 261 GLN A N 1 ATOM 1891 C CA . GLN A 1 241 ? 19.165 6.378 22.092 1.00 12.24 ? 261 GLN A CA 1 ATOM 1892 C C . GLN A 1 241 ? 18.908 5.231 21.074 1.00 11.18 ? 261 GLN A C 1 ATOM 1893 O O . GLN A 1 241 ? 18.074 5.367 20.218 1.00 11.54 ? 261 GLN A O 1 ATOM 1894 C CB . GLN A 1 241 ? 20.440 7.180 21.741 1.00 12.70 ? 261 GLN A CB 1 ATOM 1895 C CG . GLN A 1 241 ? 20.347 7.710 20.331 1.00 13.63 ? 261 GLN A CG 1 ATOM 1896 C CD . GLN A 1 241 ? 21.548 8.456 19.837 1.00 14.55 ? 261 GLN A CD 1 ATOM 1897 O OE1 . GLN A 1 241 ? 22.556 8.564 20.544 1.00 15.06 ? 261 GLN A OE1 1 ATOM 1898 N NE2 . GLN A 1 241 ? 21.477 8.926 18.586 1.00 14.96 ? 261 GLN A NE2 1 ATOM 1899 N N . PRO A 1 242 ? 19.648 4.107 21.143 1.00 11.34 ? 262 PRO A N 1 ATOM 1900 C CA . PRO A 1 242 ? 19.344 3.026 20.187 1.00 11.40 ? 262 PRO A CA 1 ATOM 1901 C C . PRO A 1 242 ? 17.936 2.415 20.307 1.00 11.23 ? 262 PRO A C 1 ATOM 1902 O O . PRO A 1 242 ? 17.370 1.963 19.301 1.00 12.46 ? 262 PRO A O 1 ATOM 1903 C CB . PRO A 1 242 ? 20.403 1.964 20.491 1.00 12.70 ? 262 PRO A CB 1 ATOM 1904 C CG . PRO A 1 242 ? 20.840 2.241 21.868 1.00 12.85 ? 262 PRO A CG 1 ATOM 1905 C CD . PRO A 1 242 ? 20.769 3.755 22.028 1.00 12.07 ? 262 PRO A CD 1 ATOM 1906 N N . VAL A 1 243 ? 17.409 2.433 21.514 1.00 9.52 ? 263 VAL A N 1 ATOM 1907 C CA . VAL A 1 243 ? 16.074 1.962 21.833 1.00 9.49 ? 263 VAL A CA 1 ATOM 1908 C C . VAL A 1 243 ? 15.011 2.887 21.242 1.00 8.87 ? 263 VAL A C 1 ATOM 1909 O O . VAL A 1 243 ? 14.159 2.403 20.496 1.00 9.55 ? 263 VAL A O 1 ATOM 1910 C CB . VAL A 1 243 ? 15.906 1.677 23.365 1.00 9.53 ? 263 VAL A CB 1 ATOM 1911 C CG1 . VAL A 1 243 ? 14.460 1.429 23.789 1.00 10.17 ? 263 VAL A CG1 1 ATOM 1912 C CG2 . VAL A 1 243 ? 16.694 0.435 23.727 1.00 10.22 ? 263 VAL A CG2 1 ATOM 1913 N N . PHE A 1 244 ? 15.091 4.203 21.476 1.00 8.22 ? 264 PHE A N 1 ATOM 1914 C CA . PHE A 1 244 ? 14.058 5.055 20.917 1.00 7.92 ? 264 PHE A CA 1 ATOM 1915 C C . PHE A 1 244 ? 14.207 5.195 19.394 1.00 7.94 ? 264 PHE A C 1 ATOM 1916 O O . PHE A 1 244 ? 13.208 5.340 18.728 1.00 8.47 ? 264 PHE A O 1 ATOM 1917 C CB . PHE A 1 244 ? 13.848 6.379 21.644 1.00 7.56 ? 264 PHE A CB 1 ATOM 1918 C CG . PHE A 1 244 ? 14.996 7.334 21.626 1.00 7.75 ? 264 PHE A CG 1 ATOM 1919 C CD1 . PHE A 1 244 ? 15.327 8.039 20.479 1.00 7.60 ? 264 PHE A CD1 1 ATOM 1920 C CD2 . PHE A 1 244 ? 15.673 7.621 22.833 1.00 7.66 ? 264 PHE A CD2 1 ATOM 1921 C CE1 . PHE A 1 244 ? 16.366 8.976 20.499 1.00 8.00 ? 264 PHE A CE1 1 ATOM 1922 C CE2 . PHE A 1 244 ? 16.711 8.578 22.861 1.00 7.92 ? 264 PHE A CE2 1 ATOM 1923 C CZ . PHE A 1 244 ? 17.057 9.234 21.682 1.00 7.86 ? 264 PHE A CZ 1 ATOM 1924 N N . GLU A 1 245 ? 15.431 5.126 18.853 1.00 7.93 ? 265 GLU A N 1 ATOM 1925 C CA . GLU A 1 245 ? 15.612 5.094 17.409 1.00 8.68 ? 265 GLU A CA 1 ATOM 1926 C C . GLU A 1 245 ? 15.028 3.880 16.741 1.00 7.99 ? 265 GLU A C 1 ATOM 1927 O O . GLU A 1 245 ? 14.324 4.004 15.708 1.00 8.17 ? 265 GLU A O 1 ATOM 1928 C CB . GLU A 1 245 ? 17.105 5.285 17.010 1.00 9.41 ? 265 GLU A CB 1 ATOM 1929 C CG . GLU A 1 245 ? 17.550 6.686 17.399 1.00 10.31 ? 265 GLU A CG 1 ATOM 1930 C CD . GLU A 1 245 ? 18.958 7.042 16.986 1.00 10.99 ? 265 GLU A CD 1 ATOM 1931 O OE1 . GLU A 1 245 ? 19.189 8.267 16.940 1.00 11.67 ? 265 GLU A OE1 1 ATOM 1932 O OE2 . GLU A 1 245 ? 19.749 6.123 16.701 1.00 12.15 ? 265 GLU A OE2 1 ATOM 1933 N N . GLU A 1 246 ? 15.206 2.708 17.334 1.00 7.91 ? 266 GLU A N 1 ATOM 1934 C CA . GLU A 1 246 ? 14.573 1.518 16.776 1.00 8.29 ? 266 GLU A CA 1 ATOM 1935 C C . GLU A 1 246 ? 13.031 1.599 16.876 1.00 7.62 ? 266 GLU A C 1 ATOM 1936 O O . GLU A 1 246 ? 12.339 1.166 15.956 1.00 7.68 ? 266 GLU A O 1 ATOM 1937 C CB . GLU A 1 246 ? 15.056 0.185 17.382 1.00 9.43 ? 266 GLU A CB 1 ATOM 1938 C CG . GLU A 1 246 ? 14.600 -1.003 16.560 1.00 10.36 ? 266 GLU A CG 1 ATOM 1939 C CD . GLU A 1 246 ? 14.970 -2.364 17.140 1.00 11.86 ? 266 GLU A CD 1 ATOM 1940 O OE1 . GLU A 1 246 ? 14.244 -3.304 16.803 1.00 12.21 ? 266 GLU A OE1 1 ATOM 1941 O OE2 . GLU A 1 246 ? 15.922 -2.482 17.926 1.00 13.65 ? 266 GLU A OE2 1 ATOM 1942 N N . LEU A 1 247 ? 12.512 2.109 17.983 1.00 6.91 ? 267 LEU A N 1 ATOM 1943 C CA . LEU A 1 247 ? 11.059 2.231 18.125 1.00 6.77 ? 267 LEU A CA 1 ATOM 1944 C C . LEU A 1 247 ? 10.444 3.261 17.159 1.00 6.69 ? 267 LEU A C 1 ATOM 1945 O O . LEU A 1 247 ? 9.311 3.063 16.704 1.00 6.89 ? 267 LEU A O 1 ATOM 1946 C CB . LEU A 1 247 ? 10.662 2.564 19.582 1.00 6.99 ? 267 LEU A CB 1 ATOM 1947 C CG . LEU A 1 247 ? 10.869 1.385 20.534 1.00 7.06 ? 267 LEU A CG 1 ATOM 1948 C CD1 . LEU A 1 247 ? 10.940 1.821 21.983 1.00 7.19 ? 267 LEU A CD1 1 ATOM 1949 C CD2 . LEU A 1 247 ? 9.800 0.358 20.282 1.00 6.80 ? 267 LEU A CD2 1 ATOM 1950 N N . ILE A 1 248 ? 11.139 4.375 16.908 1.00 6.80 ? 268 ILE A N 1 ATOM 1951 C CA . ILE A 1 248 ? 10.703 5.381 15.908 1.00 6.47 ? 268 ILE A CA 1 ATOM 1952 C C . ILE A 1 248 ? 10.706 4.757 14.484 1.00 6.29 ? 268 ILE A C 1 ATOM 1953 O O . ILE A 1 248 ? 9.718 4.835 13.759 1.00 5.35 ? 268 ILE A O 1 ATOM 1954 C CB . ILE A 1 248 ? 11.550 6.683 16.026 1.00 6.80 ? 268 ILE A CB 1 ATOM 1955 C CG1 . ILE A 1 248 ? 11.137 7.425 17.341 1.00 6.78 ? 268 ILE A CG1 1 ATOM 1956 C CG2 . ILE A 1 248 ? 11.420 7.579 14.804 1.00 6.91 ? 268 ILE A CG2 1 ATOM 1957 C CD1 . ILE A 1 248 ? 12.074 8.545 17.754 1.00 7.20 ? 268 ILE A CD1 1 ATOM 1958 N N . ALA A 1 249 ? 11.768 4.008 14.152 1.00 6.11 ? 269 ALA A N 1 ATOM 1959 C CA . ALA A 1 249 ? 11.852 3.287 12.886 1.00 6.08 ? 269 ALA A CA 1 ATOM 1960 C C . ALA A 1 249 ? 10.715 2.297 12.728 1.00 6.06 ? 269 ALA A C 1 ATOM 1961 O O . ALA A 1 249 ? 9.983 2.239 11.697 1.00 6.14 ? 269 ALA A O 1 ATOM 1962 C CB . ALA A 1 249 ? 13.217 2.616 12.816 1.00 6.00 ? 269 ALA A CB 1 ATOM 1963 N N . LYS A 1 250 ? 10.506 1.487 13.764 1.00 6.97 ? 270 LYS A N 1 ATOM 1964 C CA . LYS A 1 250 ? 9.398 0.526 13.787 1.00 6.86 ? 270 LYS A CA 1 ATOM 1965 C C . LYS A 1 250 ? 8.052 1.216 13.674 1.00 6.88 ? 270 LYS A C 1 ATOM 1966 O O . LYS A 1 250 ? 7.176 0.740 12.944 1.00 6.94 ? 270 LYS A O 1 ATOM 1967 C CB . LYS A 1 250 ? 9.405 -0.254 15.112 1.00 7.59 ? 270 LYS A CB 1 ATOM 1968 C CG . LYS A 1 250 ? 10.336 -1.388 15.183 1.00 7.37 ? 270 LYS A CG 1 ATOM 1969 C CD . LYS A 1 250 ? 10.233 -2.002 16.591 1.00 7.39 ? 270 LYS A CD 1 ATOM 1970 C CE . LYS A 1 250 ? 10.778 -3.361 16.612 1.00 7.73 ? 270 LYS A CE 1 ATOM 1971 N NZ . LYS A 1 250 ? 10.688 -4.087 17.901 1.00 8.20 ? 270 LYS A NZ 1 ATOM 1972 N N . ALA A 1 251 ? 7.858 2.348 14.377 1.00 6.70 ? 271 ALA A N 1 ATOM 1973 C CA . ALA A 1 251 ? 6.567 3.074 14.249 1.00 6.51 ? 271 ALA A CA 1 ATOM 1974 C C . ALA A 1 251 ? 6.320 3.504 12.768 1.00 6.57 ? 271 ALA A C 1 ATOM 1975 O O . ALA A 1 251 ? 5.222 3.347 12.246 1.00 6.55 ? 271 ALA A O 1 ATOM 1976 C CB . ALA A 1 251 ? 6.522 4.250 15.191 1.00 6.56 ? 271 ALA A CB 1 ATOM 1977 N N . GLY A 1 252 ? 7.338 4.030 12.117 1.00 6.46 ? 272 GLY A N 1 ATOM 1978 C CA . GLY A 1 252 ? 7.224 4.467 10.747 1.00 6.97 ? 272 GLY A CA 1 ATOM 1979 C C . GLY A 1 252 ? 6.972 3.348 9.770 1.00 7.01 ? 272 GLY A C 1 ATOM 1980 O O . GLY A 1 252 ? 6.147 3.486 8.870 1.00 7.05 ? 272 GLY A O 1 ATOM 1981 N N . TYR A 1 253 ? 7.632 2.206 9.990 1.00 7.23 ? 273 TYR A N 1 ATOM 1982 C CA . TYR A 1 253 ? 7.558 1.047 9.094 1.00 7.63 ? 273 TYR A CA 1 ATOM 1983 C C . TYR A 1 253 ? 6.196 0.372 9.226 1.00 7.00 ? 273 TYR A C 1 ATOM 1984 O O . TYR A 1 253 ? 5.527 0.035 8.248 1.00 7.38 ? 273 TYR A O 1 ATOM 1985 C CB . TYR A 1 253 ? 8.687 0.084 9.422 1.00 8.69 ? 273 TYR A CB 1 ATOM 1986 C CG . TYR A 1 253 ? 8.894 -1.027 8.384 1.00 9.57 ? 273 TYR A CG 1 ATOM 1987 C CD1 . TYR A 1 253 ? 9.480 -0.765 7.153 1.00 10.28 ? 273 TYR A CD1 1 ATOM 1988 C CD2 . TYR A 1 253 ? 8.449 -2.341 8.638 1.00 10.93 ? 273 TYR A CD2 1 ATOM 1989 C CE1 . TYR A 1 253 ? 9.656 -1.791 6.215 1.00 11.19 ? 273 TYR A CE1 1 ATOM 1990 C CE2 . TYR A 1 253 ? 8.617 -3.355 7.690 1.00 11.12 ? 273 TYR A CE2 1 ATOM 1991 C CZ . TYR A 1 253 ? 9.237 -3.065 6.496 1.00 11.47 ? 273 TYR A CZ 1 ATOM 1992 O OH . TYR A 1 253 ? 9.356 -4.063 5.526 1.00 13.23 ? 273 TYR A OH 1 ATOM 1993 N N . ARG A 1 254 ? 5.731 0.286 10.463 1.00 6.29 ? 274 ARG A N 1 ATOM 1994 C CA . ARG A 1 254 ? 4.454 -0.301 10.793 1.00 5.88 ? 274 ARG A CA 1 ATOM 1995 C C . ARG A 1 254 ? 3.309 0.628 10.349 1.00 5.67 ? 274 ARG A C 1 ATOM 1996 O O . ARG A 1 254 ? 2.241 0.139 9.890 1.00 5.98 ? 274 ARG A O 1 ATOM 1997 C CB . ARG A 1 254 ? 4.404 -0.627 12.300 1.00 5.65 ? 274 ARG A CB 1 ATOM 1998 C CG . ARG A 1 254 ? 5.254 -1.812 12.705 1.00 5.48 ? 274 ARG A CG 1 ATOM 1999 C CD . ARG A 1 254 ? 5.438 -1.866 14.223 1.00 5.29 ? 274 ARG A CD 1 ATOM 2000 N NE . ARG A 1 254 ? 6.053 -3.126 14.629 1.00 5.25 ? 274 ARG A NE 1 ATOM 2001 C CZ . ARG A 1 254 ? 6.470 -3.429 15.859 1.00 5.16 ? 274 ARG A CZ 1 ATOM 2002 N NH1 . ARG A 1 254 ? 6.419 -2.533 16.825 1.00 5.06 ? 274 ARG A NH1 1 ATOM 2003 N NH2 . ARG A 1 254 ? 6.991 -4.603 16.124 1.00 4.96 ? 274 ARG A NH2 1 ATOM 2004 N N . LEU A 1 255 ? 3.472 1.925 10.511 1.00 5.63 ? 275 LEU A N 1 ATOM 2005 C CA . LEU A 1 255 ? 2.459 2.879 10.041 1.00 5.56 ? 275 LEU A CA 1 ATOM 2006 C C . LEU A 1 255 ? 2.264 2.738 8.518 1.00 5.53 ? 275 LEU A C 1 ATOM 2007 O O . LEU A 1 255 ? 1.152 2.677 7.999 1.00 5.65 ? 275 LEU A O 1 ATOM 2008 C CB . LEU A 1 255 ? 2.811 4.319 10.444 1.00 5.38 ? 275 LEU A CB 1 ATOM 2009 C CG . LEU A 1 255 ? 1.996 5.425 9.857 1.00 5.19 ? 275 LEU A CG 1 ATOM 2010 C CD1 . LEU A 1 255 ? 0.472 5.318 10.119 1.00 5.26 ? 275 LEU A CD1 1 ATOM 2011 C CD2 . LEU A 1 255 ? 2.571 6.768 10.243 1.00 5.35 ? 275 LEU A CD2 1 ATOM 2012 N N . ALA A 1 256 ? 3.374 2.691 7.814 1.00 5.96 ? 276 ALA A N 1 ATOM 2013 C CA . ALA A 1 256 ? 3.381 2.466 6.339 1.00 5.98 ? 276 ALA A CA 1 ATOM 2014 C C . ALA A 1 256 ? 2.653 1.196 5.950 1.00 6.16 ? 276 ALA A C 1 ATOM 2015 O O . ALA A 1 256 ? 1.690 1.200 5.145 1.00 6.38 ? 276 ALA A O 1 ATOM 2016 C CB . ALA A 1 256 ? 4.820 2.495 5.832 1.00 6.06 ? 276 ALA A CB 1 ATOM 2017 N N . ALA A 1 257 ? 2.985 0.086 6.588 1.00 6.26 ? 277 ALA A N 1 ATOM 2018 C CA . ALA A 1 257 ? 2.270 -1.134 6.311 1.00 6.40 ? 277 ALA A CA 1 ATOM 2019 C C . ALA A 1 257 ? 0.758 -1.056 6.593 1.00 6.70 ? 277 ALA A C 1 ATOM 2020 O O . ALA A 1 257 ? -0.054 -1.610 5.832 1.00 7.39 ? 277 ALA A O 1 ATOM 2021 C CB . ALA A 1 257 ? 2.848 -2.263 7.101 1.00 6.66 ? 277 ALA A CB 1 ATOM 2022 N N . TRP A 1 258 ? 0.386 -0.409 7.704 1.00 6.45 ? 278 TRP A N 1 ATOM 2023 C CA . TRP A 1 258 ? -0.998 -0.239 8.050 1.00 6.14 ? 278 TRP A CA 1 ATOM 2024 C C . TRP A 1 258 ? -1.731 0.626 7.050 1.00 6.27 ? 278 TRP A C 1 ATOM 2025 O O . TRP A 1 258 ? -2.862 0.316 6.621 1.00 5.76 ? 278 TRP A O 1 ATOM 2026 C CB . TRP A 1 258 ? -1.094 0.339 9.475 1.00 6.34 ? 278 TRP A CB 1 ATOM 2027 C CG . TRP A 1 258 ? -2.396 0.169 10.146 1.00 5.96 ? 278 TRP A CG 1 ATOM 2028 C CD1 . TRP A 1 258 ? -3.219 1.176 10.587 1.00 6.11 ? 278 TRP A CD1 1 ATOM 2029 C CD2 . TRP A 1 258 ? -3.005 -1.075 10.609 1.00 6.16 ? 278 TRP A CD2 1 ATOM 2030 N NE1 . TRP A 1 258 ? -4.312 0.646 11.267 1.00 6.24 ? 278 TRP A NE1 1 ATOM 2031 C CE2 . TRP A 1 258 ? -4.213 -0.730 11.290 1.00 6.01 ? 278 TRP A CE2 1 ATOM 2032 C CE3 . TRP A 1 258 ? -2.661 -2.436 10.507 1.00 6.07 ? 278 TRP A CE3 1 ATOM 2033 C CZ2 . TRP A 1 258 ? -5.052 -1.682 11.834 1.00 5.73 ? 278 TRP A CZ2 1 ATOM 2034 C CZ3 . TRP A 1 258 ? -3.564 -3.390 11.019 1.00 5.75 ? 278 TRP A CZ3 1 ATOM 2035 C CH2 . TRP A 1 258 ? -4.671 -2.999 11.727 1.00 6.17 ? 278 TRP A CH2 1 ATOM 2036 N N . LEU A 1 259 ? -1.091 1.709 6.614 1.00 6.80 ? 279 LEU A N 1 ATOM 2037 C CA . LEU A 1 259 ? -1.679 2.602 5.621 1.00 7.13 ? 279 LEU A CA 1 ATOM 2038 C C . LEU A 1 259 ? -1.867 1.888 4.281 1.00 7.39 ? 279 LEU A C 1 ATOM 2039 O O . LEU A 1 259 ? -2.884 2.084 3.617 1.00 7.94 ? 279 LEU A O 1 ATOM 2040 C CB . LEU A 1 259 ? -0.873 3.882 5.489 1.00 7.08 ? 279 LEU A CB 1 ATOM 2041 C CG . LEU A 1 259 ? -0.912 4.801 6.699 1.00 6.85 ? 279 LEU A CG 1 ATOM 2042 C CD1 . LEU A 1 259 ? -0.036 6.010 6.460 1.00 7.17 ? 279 LEU A CD1 1 ATOM 2043 C CD2 . LEU A 1 259 ? -2.306 5.280 7.118 1.00 7.32 ? 279 LEU A CD2 1 ATOM 2044 N N . ASP A 1 260 ? -0.901 1.049 3.884 1.00 7.89 ? 280 ASP A N 1 ATOM 2045 C CA . ASP A 1 260 ? -1.035 0.273 2.641 1.00 7.91 ? 280 ASP A CA 1 ATOM 2046 C C . ASP A 1 260 ? -2.229 -0.657 2.733 1.00 7.88 ? 280 ASP A C 1 ATOM 2047 O O . ASP A 1 260 ? -2.997 -0.749 1.788 1.00 8.08 ? 280 ASP A O 1 ATOM 2048 C CB . ASP A 1 260 ? 0.241 -0.530 2.314 1.00 8.15 ? 280 ASP A CB 1 ATOM 2049 C CG . ASP A 1 260 ? 1.352 0.310 1.758 1.00 8.78 ? 280 ASP A CG 1 ATOM 2050 O OD1 . ASP A 1 260 ? 1.125 1.342 1.092 1.00 8.16 ? 280 ASP A OD1 1 ATOM 2051 O OD2 . ASP A 1 260 ? 2.496 -0.139 1.965 1.00 9.29 ? 280 ASP A OD2 1 ATOM 2052 N N . LEU A 1 261 ? -2.437 -1.320 3.883 1.00 8.23 ? 281 LEU A N 1 ATOM 2053 C CA . LEU A 1 261 ? -3.599 -2.160 4.092 1.00 8.53 ? 281 LEU A CA 1 ATOM 2054 C C . LEU A 1 261 ? -4.935 -1.453 4.002 1.00 8.57 ? 281 LEU A C 1 ATOM 2055 O O . LEU A 1 261 ? -5.840 -1.948 3.357 1.00 9.45 ? 281 LEU A O 1 ATOM 2056 C CB . LEU A 1 261 ? -3.494 -2.932 5.407 1.00 9.07 ? 281 LEU A CB 1 ATOM 2057 C CG . LEU A 1 261 ? -2.456 -4.024 5.444 1.00 9.44 ? 281 LEU A CG 1 ATOM 2058 C CD1 . LEU A 1 261 ? -2.120 -4.468 6.869 1.00 9.83 ? 281 LEU A CD1 1 ATOM 2059 C CD2 . LEU A 1 261 ? -2.838 -5.223 4.614 1.00 10.56 ? 281 LEU A CD2 1 ATOM 2060 N N . ILE A 1 262 ? -5.010 -0.291 4.631 1.00 8.52 ? 282 ILE A N 1 ATOM 2061 C CA . ILE A 1 262 ? -6.170 0.599 4.605 1.00 8.51 ? 282 ILE A CA 1 ATOM 2062 C C . ILE A 1 262 ? -6.467 1.003 3.157 1.00 8.99 ? 282 ILE A C 1 ATOM 2063 O O . ILE A 1 262 ? -7.587 0.881 2.747 1.00 8.94 ? 282 ILE A O 1 ATOM 2064 C CB . ILE A 1 262 ? -5.998 1.846 5.497 1.00 7.92 ? 282 ILE A CB 1 ATOM 2065 C CG1 . ILE A 1 262 ? -6.011 1.401 6.952 1.00 7.88 ? 282 ILE A CG1 1 ATOM 2066 C CG2 . ILE A 1 262 ? -7.128 2.851 5.275 1.00 8.15 ? 282 ILE A CG2 1 ATOM 2067 C CD1 . ILE A 1 262 ? -5.548 2.471 7.967 1.00 7.89 ? 282 ILE A CD1 1 ATOM 2068 N N . ALA A 1 263 ? -5.450 1.458 2.446 1.00 9.66 ? 283 ALA A N 1 ATOM 2069 C CA . ALA A 1 263 ? -5.638 1.978 1.096 1.00 10.55 ? 283 ALA A CA 1 ATOM 2070 C C . ALA A 1 263 ? -6.051 0.872 0.112 1.00 11.96 ? 283 ALA A C 1 ATOM 2071 O O . ALA A 1 263 ? -6.685 1.160 -0.926 1.00 11.96 ? 283 ALA A O 1 ATOM 2072 C CB . ALA A 1 263 ? -4.368 2.629 0.615 1.00 10.08 ? 283 ALA A CB 1 ATOM 2073 N N . SER A 1 264 ? -5.655 -0.362 0.410 1.00 12.52 ? 284 SER A N 1 ATOM 2074 C CA . SER A 1 264 ? -6.050 -1.517 -0.379 1.00 14.12 ? 284 SER A CA 1 ATOM 2075 C C . SER A 1 264 ? -7.567 -1.767 -0.337 1.00 16.33 ? 284 SER A C 1 ATOM 2076 O O . SER A 1 264 ? -8.079 -2.423 -1.214 1.00 17.59 ? 284 SER A O 1 ATOM 2077 C CB A SER A 1 264 ? -5.289 -2.786 0.103 0.70 13.95 ? 284 SER A CB 1 ATOM 2078 C CB B SER A 1 264 ? -5.293 -2.770 0.049 0.30 14.18 ? 284 SER A CB 1 ATOM 2079 O OG A SER A 1 264 ? -5.864 -3.380 1.285 0.70 12.55 ? 284 SER A OG 1 ATOM 2080 O OG B SER A 1 264 ? -4.037 -2.790 -0.583 0.30 13.73 ? 284 SER A OG 1 ATOM 2081 N N . GLN A 1 265 ? -8.250 -1.272 0.700 1.00 19.61 ? 285 GLN A N 1 ATOM 2082 C CA . GLN A 1 265 ? -9.738 -1.233 0.794 1.00 21.36 ? 285 GLN A CA 1 ATOM 2083 C C . GLN A 1 265 ? -10.272 -2.652 0.602 1.00 23.26 ? 285 GLN A C 1 ATOM 2084 O O . GLN A 1 265 ? -11.005 -2.940 -0.381 1.00 20.56 ? 285 GLN A O 1 ATOM 2085 C CB . GLN A 1 265 ? -10.367 -0.278 -0.251 1.00 22.79 ? 285 GLN A CB 1 ATOM 2086 C CG . GLN A 1 265 ? -10.189 1.232 0.019 1.00 21.79 ? 285 GLN A CG 1 ATOM 2087 C CD . GLN A 1 265 ? -10.987 1.726 1.211 1.00 21.61 ? 285 GLN A CD 1 ATOM 2088 O OE1 . GLN A 1 265 ? -12.222 1.825 1.106 1.00 22.71 ? 285 GLN A OE1 1 ATOM 2089 N NE2 . GLN A 1 265 ? -10.295 2.092 2.352 1.00 17.04 ? 285 GLN A NE2 1 ATOM 2090 N N . PRO A 1 266 ? -9.855 -3.565 1.501 1.00 24.13 ? 286 PRO A N 1 ATOM 2091 C CA . PRO A 1 266 ? -10.184 -4.979 1.307 1.00 27.61 ? 286 PRO A CA 1 ATOM 2092 C C . PRO A 1 266 ? -11.670 -5.281 1.594 1.00 29.60 ? 286 PRO A C 1 ATOM 2093 O O . PRO A 1 266 ? -12.263 -4.723 2.544 1.00 30.13 ? 286 PRO A O 1 ATOM 2094 C CB . PRO A 1 266 ? -9.245 -5.717 2.296 1.00 26.70 ? 286 PRO A CB 1 ATOM 2095 C CG . PRO A 1 266 ? -8.913 -4.715 3.332 1.00 26.21 ? 286 PRO A CG 1 ATOM 2096 C CD . PRO A 1 266 ? -9.051 -3.346 2.718 1.00 24.87 ? 286 PRO A CD 1 ATOM 2097 N N . SER A 1 267 ? -12.244 -6.159 0.775 1.00 30.85 ? 287 SER A N 1 ATOM 2098 C CA . SER A 1 267 ? -13.602 -6.679 0.988 1.00 35.16 ? 287 SER A CA 1 ATOM 2099 C C . SER A 1 267 ? -13.664 -7.676 2.167 1.00 37.94 ? 287 SER A C 1 ATOM 2100 O O . SER A 1 267 ? -12.637 -8.059 2.761 1.00 35.54 ? 287 SER A O 1 ATOM 2101 C CB . SER A 1 267 ? -14.109 -7.375 -0.296 1.00 35.66 ? 287 SER A CB 1 ATOM 2102 O OG . SER A 1 267 ? -13.442 -8.618 -0.507 1.00 34.38 ? 287 SER A OG 1 ATOM 2103 O OXT . SER A 1 267 ? -14.752 -8.151 2.524 1.00 38.56 ? 287 SER A OXT 1 HETATM 2104 ZN ZN . ZN B 2 . ? 3.558 11.890 21.048 1.00 6.35 2 401 ZN A ZN 1 HETATM 2105 ZN ZN . ZN C 2 . ? -0.106 12.316 21.306 1.00 5.65 2 402 ZN A ZN 1 HETATM 2106 ZN ZN . ZN D 2 . ? 3.903 11.808 25.340 1.00 8.83 2 403 ZN A ZN 1 HETATM 2107 C C1 . NAG E 3 . ? -14.930 7.311 16.879 1.00 24.74 ? 501 NAG A C1 1 HETATM 2108 C C2 . NAG E 3 . ? -15.248 7.537 18.371 1.00 26.41 ? 501 NAG A C2 1 HETATM 2109 C C3 . NAG E 3 . ? -16.082 8.780 18.668 1.00 26.65 ? 501 NAG A C3 1 HETATM 2110 C C4 . NAG E 3 . ? -15.730 9.946 17.748 1.00 27.33 ? 501 NAG A C4 1 HETATM 2111 C C5 . NAG E 3 . ? -15.485 9.551 16.289 1.00 26.99 ? 501 NAG A C5 1 HETATM 2112 C C6 . NAG E 3 . ? -14.974 10.776 15.524 1.00 26.11 ? 501 NAG A C6 1 HETATM 2113 C C7 . NAG E 3 . ? -15.274 5.410 19.644 1.00 36.45 ? 501 NAG A C7 1 HETATM 2114 C C8 . NAG E 3 . ? -16.062 4.155 19.822 1.00 37.85 ? 501 NAG A C8 1 HETATM 2115 N N2 . NAG E 3 . ? -15.840 6.270 18.764 1.00 32.16 ? 501 NAG A N2 1 HETATM 2116 O O3 . NAG E 3 . ? -15.789 9.281 20.012 1.00 24.69 ? 501 NAG A O3 1 HETATM 2117 O O4 . NAG E 3 . ? -16.741 10.960 17.741 1.00 29.85 ? 501 NAG A O4 1 HETATM 2118 O O5 . NAG E 3 . ? -14.506 8.492 16.223 1.00 23.16 ? 501 NAG A O5 1 HETATM 2119 O O6 . NAG E 3 . ? -13.912 11.440 16.235 1.00 23.28 ? 501 NAG A O6 1 HETATM 2120 O O7 . NAG E 3 . ? -14.225 5.598 20.267 1.00 31.83 ? 501 NAG A O7 1 HETATM 2121 P P . PO4 F 4 . ? 1.909 13.224 23.554 1.00 10.40 ? 601 PO4 A P 1 HETATM 2122 O O1 . PO4 F 4 . ? 3.081 12.775 22.720 1.00 10.90 ? 601 PO4 A O1 1 HETATM 2123 O O2 . PO4 F 4 . ? 0.565 12.670 23.157 1.00 8.73 ? 601 PO4 A O2 1 HETATM 2124 O O3 . PO4 F 4 . ? 2.353 12.856 24.954 1.00 9.56 ? 601 PO4 A O3 1 HETATM 2125 O O4 . PO4 F 4 . ? 1.777 14.746 23.522 1.00 10.07 ? 601 PO4 A O4 1 HETATM 2126 N N1 . DCZ G 5 . ? 0.329 10.988 28.820 1.00 13.15 ? 701 DCZ A N1 1 HETATM 2127 C C2 . DCZ G 5 . ? 0.599 9.619 28.796 1.00 12.72 ? 701 DCZ A C2 1 HETATM 2128 N N3 . DCZ G 5 . ? 0.088 8.844 29.781 1.00 12.21 ? 701 DCZ A N3 1 HETATM 2129 C C4 . DCZ G 5 . ? -0.657 9.401 30.765 1.00 13.25 ? 701 DCZ A C4 1 HETATM 2130 C C5 . DCZ G 5 . ? -0.935 10.792 30.789 1.00 13.18 ? 701 DCZ A C5 1 HETATM 2131 C C6 . DCZ G 5 . ? -0.423 11.530 29.815 1.00 12.48 ? 701 DCZ A C6 1 HETATM 2132 O O2 . DCZ G 5 . ? 1.295 9.162 27.874 1.00 12.92 ? 701 DCZ A O2 1 HETATM 2133 N N4 . DCZ G 5 . ? -1.154 8.619 31.693 1.00 12.14 ? 701 DCZ A N4 1 HETATM 2134 C "C1'" . DCZ G 5 . ? 0.906 11.840 27.788 1.00 14.29 ? 701 DCZ A "C1'" 1 HETATM 2135 C "C2'" . DCZ G 5 . ? -0.158 12.647 27.058 1.00 13.72 ? 701 DCZ A "C2'" 1 HETATM 2136 C "C3'" . DCZ G 5 . ? 0.075 14.089 27.501 1.00 14.61 ? 701 DCZ A "C3'" 1 HETATM 2137 C "C4'" . DCZ G 5 . ? 1.516 14.095 27.988 1.00 15.76 ? 701 DCZ A "C4'" 1 HETATM 2138 O "O4'" . DCZ G 5 . ? 1.780 12.764 28.450 1.00 14.62 ? 701 DCZ A "O4'" 1 HETATM 2139 O "O3'" . DCZ G 5 . ? 0.026 14.899 26.331 1.00 13.82 ? 701 DCZ A "O3'" 1 HETATM 2140 C "C5'" . DCZ G 5 . ? 1.823 15.086 29.101 1.00 17.41 ? 701 DCZ A "C5'" 1 HETATM 2141 O "O5'" . DCZ G 5 . ? 0.745 15.153 30.055 1.00 23.03 ? 701 DCZ A "O5'" 1 HETATM 2142 O O . HOH H 6 . ? 14.314 20.571 29.380 0.50 15.23 ? 1001 HOH A O 1 HETATM 2143 O O . HOH H 6 . ? 3.541 15.462 21.669 0.50 4.20 ? 1002 HOH A O 1 HETATM 2144 O O . HOH H 6 . ? -1.339 11.027 -6.576 0.50 17.36 ? 1003 HOH A O 1 HETATM 2145 O O . HOH H 6 . ? 16.728 4.721 2.047 0.50 14.07 ? 1004 HOH A O 1 HETATM 2146 O O . HOH H 6 . ? 20.844 9.753 6.038 1.00 28.18 ? 1005 HOH A O 1 HETATM 2147 O O . HOH H 6 . ? 22.048 17.276 19.152 1.00 21.76 ? 1006 HOH A O 1 HETATM 2148 O O . HOH H 6 . ? -1.775 14.391 -4.979 1.00 31.47 ? 1007 HOH A O 1 HETATM 2149 O O . HOH H 6 . ? -2.448 1.289 -2.212 1.00 22.47 ? 1008 HOH A O 1 HETATM 2150 O O . HOH H 6 . ? 23.735 14.756 26.184 1.00 14.71 ? 1009 HOH A O 1 HETATM 2151 O O . HOH H 6 . ? -20.126 1.027 9.710 1.00 18.68 ? 1010 HOH A O 1 HETATM 2152 O O . HOH H 6 . ? 10.589 15.975 -0.904 1.00 30.03 ? 1011 HOH A O 1 HETATM 2153 O O . HOH H 6 . ? -12.286 10.419 -2.650 1.00 39.23 ? 1012 HOH A O 1 HETATM 2154 O O . HOH H 6 . ? -7.980 20.114 27.529 1.00 20.17 ? 1013 HOH A O 1 HETATM 2155 O O . HOH H 6 . ? 6.985 19.412 2.066 1.00 12.69 ? 1014 HOH A O 1 HETATM 2156 O O . HOH H 6 . ? -8.415 -8.540 29.777 1.00 35.63 ? 1015 HOH A O 1 HETATM 2157 O O . HOH H 6 . ? 9.296 16.032 2.105 1.00 35.44 ? 1016 HOH A O 1 HETATM 2158 O O . HOH H 6 . ? 18.977 1.473 17.092 1.00 15.42 ? 1017 HOH A O 1 HETATM 2159 O O . HOH H 6 . ? 10.323 19.994 30.488 0.50 10.41 ? 1018 HOH A O 1 HETATM 2160 O O . HOH H 6 . ? -12.307 4.693 21.661 1.00 22.57 ? 1019 HOH A O 1 HETATM 2161 O O . HOH H 6 . ? 18.771 -6.126 11.849 1.00 22.69 ? 1020 HOH A O 1 HETATM 2162 O O . HOH H 6 . ? 8.804 20.406 13.679 1.00 20.19 ? 1021 HOH A O 1 HETATM 2163 O O . HOH H 6 . ? 21.675 4.940 17.889 1.00 18.51 ? 1022 HOH A O 1 HETATM 2164 O O . HOH H 6 . ? 15.804 23.384 10.242 1.00 29.66 ? 1023 HOH A O 1 HETATM 2165 O O . HOH H 6 . ? 15.835 -4.395 21.524 1.00 25.82 ? 1024 HOH A O 1 HETATM 2166 O O . HOH H 6 . ? 9.760 18.616 36.900 1.00 24.42 ? 1025 HOH A O 1 HETATM 2167 O O . HOH H 6 . ? -13.808 6.941 32.231 1.00 36.03 ? 1026 HOH A O 1 HETATM 2168 O O . HOH H 6 . ? -12.133 6.571 19.153 1.00 17.86 ? 1027 HOH A O 1 HETATM 2169 O O . HOH H 6 . ? -2.539 -0.682 -0.733 1.00 32.09 ? 1028 HOH A O 1 HETATM 2170 O O . HOH H 6 . ? 4.879 8.675 0.055 1.00 11.55 ? 1029 HOH A O 1 HETATM 2171 O O . HOH H 6 . ? 18.182 14.922 39.380 1.00 18.66 ? 1030 HOH A O 1 HETATM 2172 O O . HOH H 6 . ? 10.461 21.441 20.553 1.00 26.52 ? 1031 HOH A O 1 HETATM 2173 O O . HOH H 6 . ? -14.741 1.556 1.564 1.00 27.43 ? 1032 HOH A O 1 HETATM 2174 O O . HOH H 6 . ? 8.702 -12.470 8.874 1.00 33.59 ? 1033 HOH A O 1 HETATM 2175 O O . HOH H 6 . ? 17.426 13.034 37.572 1.00 16.16 ? 1034 HOH A O 1 HETATM 2176 O O . HOH H 6 . ? -17.550 4.749 8.882 1.00 20.01 ? 1035 HOH A O 1 HETATM 2177 O O . HOH H 6 . ? 21.091 -7.249 6.562 1.00 29.03 ? 1036 HOH A O 1 HETATM 2178 O O . HOH H 6 . ? -5.797 5.621 32.546 1.00 23.37 ? 1037 HOH A O 1 HETATM 2179 O O . HOH H 6 . ? -13.834 -4.963 32.295 1.00 30.80 ? 1038 HOH A O 1 HETATM 2180 O O . HOH H 6 . ? -12.951 10.016 25.595 1.00 10.03 ? 1039 HOH A O 1 HETATM 2181 O O . HOH H 6 . ? 6.580 -0.761 39.781 1.00 25.99 ? 1040 HOH A O 1 HETATM 2182 O O . HOH H 6 . ? 9.811 -8.155 42.169 1.00 35.23 ? 1041 HOH A O 1 HETATM 2183 O O . HOH H 6 . ? -14.876 -5.795 28.050 1.00 20.97 ? 1042 HOH A O 1 HETATM 2184 O O . HOH H 6 . ? 27.853 10.373 27.317 1.00 18.43 ? 1043 HOH A O 1 HETATM 2185 O O . HOH H 6 . ? 23.286 18.150 36.083 1.00 25.21 ? 1044 HOH A O 1 HETATM 2186 O O . HOH H 6 . ? 13.076 21.638 31.662 1.00 23.17 ? 1045 HOH A O 1 HETATM 2187 O O . HOH H 6 . ? 20.358 -5.714 9.312 1.00 35.71 ? 1046 HOH A O 1 HETATM 2188 O O . HOH H 6 . ? -11.281 -2.818 -2.972 1.00 36.59 ? 1047 HOH A O 1 HETATM 2189 O O . HOH H 6 . ? -16.701 25.498 22.472 1.00 29.81 ? 1048 HOH A O 1 HETATM 2190 O O . HOH H 6 . ? 4.757 -5.924 27.256 1.00 6.09 ? 1049 HOH A O 1 HETATM 2191 O O . HOH H 6 . ? 0.216 18.493 12.418 1.00 10.64 ? 1050 HOH A O 1 HETATM 2192 O O . HOH H 6 . ? 24.191 6.080 22.186 1.00 29.35 ? 1051 HOH A O 1 HETATM 2193 O O . HOH H 6 . ? -14.441 8.349 23.580 1.00 19.35 ? 1052 HOH A O 1 HETATM 2194 O O . HOH H 6 . ? 10.660 2.025 -0.023 1.00 22.95 ? 1053 HOH A O 1 HETATM 2195 O O . HOH H 6 . ? -12.775 14.695 9.786 1.00 7.26 ? 1054 HOH A O 1 HETATM 2196 O O . HOH H 6 . ? 4.037 -6.795 14.240 0.50 7.19 ? 1055 HOH A O 1 HETATM 2197 O O . HOH H 6 . ? -2.894 -9.259 14.926 1.00 24.07 ? 1056 HOH A O 1 HETATM 2198 O O . HOH H 6 . ? 2.860 -5.690 12.985 0.50 7.68 ? 1057 HOH A O 1 HETATM 2199 O O . HOH H 6 . ? 7.004 16.891 25.133 1.00 14.50 ? 1058 HOH A O 1 HETATM 2200 O O . HOH H 6 . ? -2.438 16.524 29.300 1.00 17.83 ? 1059 HOH A O 1 HETATM 2201 O O . HOH H 6 . ? 10.735 -6.493 2.676 1.00 25.14 ? 1060 HOH A O 1 HETATM 2202 O O . HOH H 6 . ? -16.381 17.328 19.650 1.00 27.56 ? 1061 HOH A O 1 HETATM 2203 O O . HOH H 6 . ? 18.884 27.999 32.990 1.00 33.01 ? 1062 HOH A O 1 HETATM 2204 O O . HOH H 6 . ? 24.924 4.048 28.983 1.00 21.23 ? 1063 HOH A O 1 HETATM 2205 O O . HOH H 6 . ? 2.446 0.416 36.757 1.00 14.57 ? 1064 HOH A O 1 HETATM 2206 O O . HOH H 6 . ? 6.682 3.059 -2.535 1.00 20.93 ? 1065 HOH A O 1 HETATM 2207 O O . HOH H 6 . ? -5.189 21.419 16.458 1.00 28.64 ? 1066 HOH A O 1 HETATM 2208 O O . HOH H 6 . ? 5.099 13.193 -2.024 1.00 35.24 ? 1067 HOH A O 1 HETATM 2209 O O . HOH H 6 . ? 12.660 8.699 5.099 1.00 21.46 ? 1068 HOH A O 1 HETATM 2210 O O . HOH H 6 . ? 18.279 3.099 41.374 1.00 16.17 ? 1069 HOH A O 1 HETATM 2211 O O . HOH H 6 . ? 16.482 3.212 34.064 1.00 24.76 ? 1070 HOH A O 1 HETATM 2212 O O . HOH H 6 . ? 21.030 1.110 32.362 1.00 26.35 ? 1071 HOH A O 1 HETATM 2213 O O . HOH H 6 . ? 21.355 5.386 8.117 1.00 14.19 ? 1072 HOH A O 1 HETATM 2214 O O . HOH H 6 . ? -14.704 20.570 25.856 1.00 28.07 ? 1073 HOH A O 1 HETATM 2215 O O . HOH H 6 . ? 16.019 -3.006 37.492 1.00 25.58 ? 1074 HOH A O 1 HETATM 2216 O O . HOH H 6 . ? -9.277 18.641 11.419 1.00 10.05 ? 1075 HOH A O 1 HETATM 2217 O O . HOH H 6 . ? -6.218 14.137 20.006 1.00 7.05 ? 1076 HOH A O 1 HETATM 2218 O O . HOH H 6 . ? 0.961 6.327 29.580 1.00 11.76 ? 805 HOH A O 1 HETATM 2219 O O . HOH H 6 . ? 9.750 17.528 19.546 1.00 8.73 ? 1078 HOH A O 1 HETATM 2220 O O . HOH H 6 . ? 20.190 0.192 25.409 1.00 18.50 ? 1079 HOH A O 1 HETATM 2221 O O . HOH H 6 . ? -6.049 -9.864 27.617 1.00 27.49 ? 1080 HOH A O 1 HETATM 2222 O O . HOH H 6 . ? 6.252 -0.840 5.826 1.00 12.35 ? 1081 HOH A O 1 HETATM 2223 O O . HOH H 6 . ? 4.604 -0.569 0.373 1.00 13.98 ? 1082 HOH A O 1 HETATM 2224 O O . HOH H 6 . ? 22.631 11.754 17.092 1.00 31.07 ? 1083 HOH A O 1 HETATM 2225 O O . HOH H 6 . ? 11.389 -5.793 20.220 1.00 10.82 ? 1084 HOH A O 1 HETATM 2226 O O . HOH H 6 . ? -6.131 7.671 -4.950 1.00 26.45 ? 1085 HOH A O 1 HETATM 2227 O O . HOH H 6 . ? -11.141 13.634 3.460 1.00 11.00 ? 1086 HOH A O 1 HETATM 2228 O O . HOH H 6 . ? 20.987 9.274 15.218 1.00 26.25 ? 1087 HOH A O 1 HETATM 2229 O O . HOH H 6 . ? -5.423 -6.017 1.576 1.00 28.75 ? 1088 HOH A O 1 HETATM 2230 O O . HOH H 6 . ? 23.639 12.054 19.851 1.00 26.60 ? 1089 HOH A O 1 HETATM 2231 O O . HOH H 6 . ? 3.999 -10.157 37.493 1.00 19.70 ? 1090 HOH A O 1 HETATM 2232 O O . HOH H 6 . ? 18.164 15.344 11.579 1.00 15.17 ? 1091 HOH A O 1 HETATM 2233 O O . HOH H 6 . ? 13.473 -5.101 25.867 1.00 28.33 ? 1092 HOH A O 1 HETATM 2234 O O . HOH H 6 . ? -12.345 -5.370 12.205 1.00 29.98 ? 1093 HOH A O 1 HETATM 2235 O O . HOH H 6 . ? 4.760 6.682 -2.121 1.00 20.53 ? 1094 HOH A O 1 HETATM 2236 O O . HOH H 6 . ? -15.202 4.838 25.275 1.00 31.74 ? 1095 HOH A O 1 HETATM 2237 O O . HOH H 6 . ? -5.204 1.844 33.096 1.00 17.87 ? 1096 HOH A O 1 HETATM 2238 O O . HOH H 6 . ? -9.995 20.515 25.896 1.00 23.28 ? 1097 HOH A O 1 HETATM 2239 O O . HOH H 6 . ? -3.188 12.905 25.740 1.00 7.14 ? 1098 HOH A O 1 HETATM 2240 O O . HOH H 6 . ? 10.724 -3.643 3.221 1.00 19.82 ? 1099 HOH A O 1 HETATM 2241 O O . HOH H 6 . ? 19.706 11.801 6.634 1.00 28.90 ? 1100 HOH A O 1 HETATM 2242 O O . HOH H 6 . ? 12.489 -2.500 19.394 1.00 21.68 ? 1101 HOH A O 1 HETATM 2243 O O . HOH H 6 . ? 23.064 1.504 5.134 1.00 26.78 ? 1102 HOH A O 1 HETATM 2244 O O . HOH H 6 . ? -12.868 -2.716 21.192 1.00 11.96 ? 1103 HOH A O 1 HETATM 2245 O O . HOH H 6 . ? 3.616 18.624 11.693 1.00 10.29 ? 1104 HOH A O 1 HETATM 2246 O O . HOH H 6 . ? -2.280 14.086 14.232 1.00 3.41 ? 1105 HOH A O 1 HETATM 2247 O O . HOH H 6 . ? -17.525 6.697 -1.449 1.00 30.55 ? 1106 HOH A O 1 HETATM 2248 O O . HOH H 6 . ? -10.927 13.763 27.895 1.00 16.38 ? 1107 HOH A O 1 HETATM 2249 O O . HOH H 6 . ? 3.153 21.177 14.879 1.00 23.80 ? 1108 HOH A O 1 HETATM 2250 O O . HOH H 6 . ? -5.058 5.219 -4.591 1.00 17.16 ? 1109 HOH A O 1 HETATM 2251 O O . HOH H 6 . ? 3.019 -2.602 3.023 1.00 13.99 ? 1110 HOH A O 1 HETATM 2252 O O . HOH H 6 . ? -1.188 21.784 15.620 1.00 18.98 ? 1111 HOH A O 1 HETATM 2253 O O . HOH H 6 . ? 1.000 18.011 26.764 1.00 23.92 ? 1112 HOH A O 1 HETATM 2254 O O . HOH H 6 . ? 3.357 21.476 8.474 1.00 25.61 ? 1113 HOH A O 1 HETATM 2255 O O . HOH H 6 . ? 4.927 -9.578 33.431 1.00 24.60 ? 1114 HOH A O 1 HETATM 2256 O O . HOH H 6 . ? 4.665 12.843 41.295 1.00 31.71 ? 1115 HOH A O 1 HETATM 2257 O O . HOH H 6 . ? -12.177 -1.137 2.717 1.00 24.62 ? 1116 HOH A O 1 HETATM 2258 O O . HOH H 6 . ? 17.264 18.161 23.666 1.00 14.51 ? 1117 HOH A O 1 HETATM 2259 O O . HOH H 6 . ? 14.940 -4.501 34.269 1.00 21.48 ? 1118 HOH A O 1 HETATM 2260 O O . HOH H 6 . ? 24.190 8.174 39.457 1.00 31.50 ? 1119 HOH A O 1 HETATM 2261 O O . HOH H 6 . ? -10.942 -0.975 29.415 1.00 10.72 ? 1120 HOH A O 1 HETATM 2262 O O . HOH H 6 . ? 3.873 -9.437 29.813 1.00 15.58 ? 1121 HOH A O 1 HETATM 2263 O O . HOH H 6 . ? 3.125 16.085 18.454 1.00 17.51 ? 1122 HOH A O 1 HETATM 2264 O O . HOH H 6 . ? -6.142 19.203 8.215 1.00 16.68 ? 1123 HOH A O 1 HETATM 2265 O O . HOH H 6 . ? -0.077 3.476 23.637 1.00 7.11 ? 1124 HOH A O 1 HETATM 2266 O O . HOH H 6 . ? -5.073 23.722 20.841 1.00 10.62 ? 1125 HOH A O 1 HETATM 2267 O O . HOH H 6 . ? 4.112 10.369 43.472 1.00 32.50 ? 1126 HOH A O 1 HETATM 2268 O O . HOH H 6 . ? -8.878 -8.839 19.159 1.00 28.87 ? 1127 HOH A O 1 HETATM 2269 O O . HOH H 6 . ? -6.657 -10.400 7.492 1.00 30.41 ? 1128 HOH A O 1 HETATM 2270 O O . HOH H 6 . ? -2.231 19.233 5.623 1.00 15.93 ? 1129 HOH A O 1 HETATM 2271 O O . HOH H 6 . ? -6.782 19.993 3.713 0.50 8.69 ? 1130 HOH A O 1 HETATM 2272 O O . HOH H 6 . ? -10.972 -3.908 10.732 1.00 10.57 ? 1131 HOH A O 1 HETATM 2273 O O . HOH H 6 . ? 17.913 -4.249 30.905 1.00 20.60 ? 1132 HOH A O 1 HETATM 2274 O O . HOH H 6 . ? -8.713 -11.736 10.565 0.50 4.81 ? 1133 HOH A O 1 HETATM 2275 O O . HOH H 6 . ? 5.156 15.566 23.668 1.00 18.57 ? 1134 HOH A O 1 HETATM 2276 O O . HOH H 6 . ? 14.989 23.869 35.558 1.00 26.52 ? 1135 HOH A O 1 HETATM 2277 O O . HOH H 6 . ? 21.181 1.965 38.728 0.50 13.77 ? 1136 HOH A O 1 HETATM 2278 O O . HOH H 6 . ? -16.746 2.856 11.079 1.00 29.30 ? 1137 HOH A O 1 HETATM 2279 O O . HOH H 6 . ? 1.286 1.730 -6.113 1.00 15.20 ? 1138 HOH A O 1 HETATM 2280 O O . HOH H 6 . ? 18.355 -1.000 27.073 1.00 23.32 ? 1139 HOH A O 1 HETATM 2281 O O . HOH H 6 . ? -4.653 17.814 6.088 1.00 10.60 ? 1140 HOH A O 1 HETATM 2282 O O . HOH H 6 . ? 11.821 13.301 -0.443 1.00 30.81 ? 1141 HOH A O 1 HETATM 2283 O O . HOH H 6 . ? 16.970 7.145 3.347 1.00 21.69 ? 1142 HOH A O 1 HETATM 2284 O O . HOH H 6 . ? -3.222 9.514 33.333 1.00 20.60 ? 1143 HOH A O 1 HETATM 2285 O O . HOH H 6 . ? 28.217 3.516 34.912 1.00 34.31 ? 1144 HOH A O 1 HETATM 2286 O O . HOH H 6 . ? 8.949 13.797 0.468 0.50 10.93 ? 1145 HOH A O 1 HETATM 2287 O O . HOH H 6 . ? 4.830 -5.441 5.651 1.00 17.03 ? 1146 HOH A O 1 HETATM 2288 O O . HOH H 6 . ? 0.870 -3.677 4.196 1.00 12.24 ? 1147 HOH A O 1 HETATM 2289 O O . HOH H 6 . ? 6.019 16.266 37.407 1.00 28.74 ? 1148 HOH A O 1 HETATM 2290 O O . HOH H 6 . ? 0.172 -5.783 37.557 1.00 28.60 ? 1149 HOH A O 1 HETATM 2291 O O . HOH H 6 . ? -0.782 -8.602 29.855 1.00 17.38 ? 1150 HOH A O 1 HETATM 2292 O O . HOH H 6 . ? -10.052 5.605 29.245 1.00 11.64 ? 1151 HOH A O 1 HETATM 2293 O O . HOH H 6 . ? 13.771 -0.370 20.697 1.00 19.90 ? 1152 HOH A O 1 HETATM 2294 O O . HOH H 6 . ? 9.543 19.443 -1.534 1.00 8.26 ? 1153 HOH A O 1 HETATM 2295 O O . HOH H 6 . ? -10.979 -9.428 14.168 1.00 29.52 ? 1154 HOH A O 1 HETATM 2296 O O . HOH H 6 . ? -9.973 -5.575 16.462 1.00 11.10 ? 1155 HOH A O 1 HETATM 2297 O O . HOH H 6 . ? 14.646 19.589 23.599 1.00 20.65 ? 1156 HOH A O 1 HETATM 2298 O O . HOH H 6 . ? -15.880 9.253 7.002 1.00 7.56 ? 1157 HOH A O 1 HETATM 2299 O O . HOH H 6 . ? 8.137 18.575 34.225 1.00 33.41 ? 1158 HOH A O 1 HETATM 2300 O O . HOH H 6 . ? -3.151 -10.050 30.811 1.00 12.43 ? 1159 HOH A O 1 HETATM 2301 O O . HOH H 6 . ? 25.534 11.785 26.399 1.00 19.18 ? 1160 HOH A O 1 HETATM 2302 O O . HOH H 6 . ? 25.169 12.358 33.951 1.00 23.65 ? 1161 HOH A O 1 HETATM 2303 O O . HOH H 6 . ? 6.018 10.813 -4.347 1.00 33.07 ? 1162 HOH A O 1 HETATM 2304 O O . HOH H 6 . ? 20.753 12.077 13.805 1.00 22.38 ? 1163 HOH A O 1 HETATM 2305 O O . HOH H 6 . ? -15.456 3.057 13.597 1.00 14.42 ? 1164 HOH A O 1 HETATM 2306 O O . HOH H 6 . ? -8.831 -2.319 35.350 1.00 25.85 ? 1165 HOH A O 1 HETATM 2307 O O . HOH H 6 . ? -19.013 7.028 12.532 1.00 32.28 ? 1166 HOH A O 1 HETATM 2308 O O . HOH H 6 . ? 8.534 -10.548 35.731 1.00 21.94 ? 1167 HOH A O 1 HETATM 2309 O O . HOH H 6 . ? 12.166 11.370 40.689 1.00 17.29 ? 1168 HOH A O 1 HETATM 2310 O O . HOH H 6 . ? -8.807 -1.914 -3.903 1.00 36.64 ? 1169 HOH A O 1 HETATM 2311 O O . HOH H 6 . ? 0.380 1.646 37.999 1.00 22.15 ? 1170 HOH A O 1 HETATM 2312 O O . HOH H 6 . ? 1.470 8.727 -5.609 1.00 20.11 ? 1171 HOH A O 1 HETATM 2313 O O . HOH H 6 . ? -12.854 13.771 5.497 1.00 9.64 ? 1172 HOH A O 1 HETATM 2314 O O . HOH H 6 . ? -8.008 8.885 -3.699 1.00 16.34 ? 1173 HOH A O 1 HETATM 2315 O O . HOH H 6 . ? -10.965 22.221 17.775 1.00 10.72 ? 1174 HOH A O 1 HETATM 2316 O O . HOH H 6 . ? 14.651 14.780 40.416 1.00 28.24 ? 1175 HOH A O 1 HETATM 2317 O O . HOH H 6 . ? 12.914 -10.084 9.543 1.00 21.88 ? 1176 HOH A O 1 HETATM 2318 O O . HOH H 6 . ? -6.529 6.161 27.953 1.00 6.61 ? 1177 HOH A O 1 HETATM 2319 O O . HOH H 6 . ? -16.670 12.974 19.743 1.00 31.14 ? 1178 HOH A O 1 HETATM 2320 O O . HOH H 6 . ? 10.141 14.705 19.583 1.00 9.78 ? 1179 HOH A O 1 HETATM 2321 O O . HOH H 6 . ? 18.462 19.421 19.733 1.00 31.05 ? 1180 HOH A O 1 HETATM 2322 O O . HOH H 6 . ? -1.089 -8.340 25.746 1.00 18.53 ? 1181 HOH A O 1 HETATM 2323 O O . HOH H 6 . ? 11.725 3.641 -2.256 1.00 19.90 ? 1182 HOH A O 1 HETATM 2324 O O . HOH H 6 . ? -10.834 7.443 -0.750 1.00 21.34 ? 1183 HOH A O 1 HETATM 2325 O O . HOH H 6 . ? 3.413 10.130 14.324 1.00 5.25 ? 1184 HOH A O 1 HETATM 2326 O O . HOH H 6 . ? 19.990 10.687 1.338 1.00 20.06 ? 1185 HOH A O 1 HETATM 2327 O O . HOH H 6 . ? 21.683 0.720 36.858 1.00 36.41 ? 1186 HOH A O 1 HETATM 2328 O O . HOH H 6 . ? -9.128 20.531 13.881 1.00 25.49 ? 1187 HOH A O 1 HETATM 2329 O O . HOH H 6 . ? 2.985 -9.356 7.625 1.00 30.22 ? 1188 HOH A O 1 HETATM 2330 O O . HOH H 6 . ? -14.022 20.266 30.314 1.00 31.42 ? 1189 HOH A O 1 HETATM 2331 O O . HOH H 6 . ? 12.344 -3.504 40.523 1.00 36.64 ? 1190 HOH A O 1 HETATM 2332 O O . HOH H 6 . ? -14.459 -4.267 19.151 1.00 31.85 ? 1191 HOH A O 1 HETATM 2333 O O . HOH H 6 . ? 6.232 18.812 20.715 0.50 9.69 ? 1192 HOH A O 1 HETATM 2334 O O . HOH H 6 . ? -8.577 8.887 -1.028 1.00 11.01 ? 1193 HOH A O 1 HETATM 2335 O O . HOH H 6 . ? -9.958 24.555 25.302 1.00 11.13 ? 1194 HOH A O 1 HETATM 2336 O O . HOH H 6 . ? -6.733 23.851 26.989 1.00 8.03 ? 1195 HOH A O 1 HETATM 2337 O O . HOH H 6 . ? -8.816 0.775 33.153 1.00 28.47 ? 1196 HOH A O 1 HETATM 2338 O O . HOH H 6 . ? -12.551 -4.038 14.527 1.00 19.04 ? 1197 HOH A O 1 HETATM 2339 O O . HOH H 6 . ? -19.713 12.022 5.272 1.00 17.19 ? 1198 HOH A O 1 HETATM 2340 O O . HOH H 6 . ? -12.253 18.681 13.305 1.00 28.87 ? 1199 HOH A O 1 HETATM 2341 O O . HOH H 6 . ? -8.128 -7.538 26.908 1.00 22.85 ? 1200 HOH A O 1 HETATM 2342 O O . HOH H 6 . ? 22.729 9.435 32.853 1.00 15.84 ? 1201 HOH A O 1 HETATM 2343 O O . HOH H 6 . ? -17.212 14.667 10.476 1.00 23.42 ? 1202 HOH A O 1 HETATM 2344 O O . HOH H 6 . ? 11.499 -6.281 29.189 1.00 27.68 ? 1203 HOH A O 1 HETATM 2345 O O . HOH H 6 . ? 15.362 2.899 43.614 1.00 18.87 ? 1204 HOH A O 1 HETATM 2346 O O . HOH H 6 . ? 10.889 18.960 5.259 1.00 14.67 ? 1205 HOH A O 1 HETATM 2347 O O . HOH H 6 . ? -13.826 19.006 15.641 1.00 25.96 ? 1206 HOH A O 1 HETATM 2348 O O . HOH H 6 . ? 10.016 1.435 39.307 1.00 31.64 ? 1207 HOH A O 1 HETATM 2349 O O . HOH H 6 . ? 24.337 13.513 37.728 1.00 26.32 ? 1208 HOH A O 1 HETATM 2350 O O . HOH H 6 . ? 9.704 12.460 41.043 1.00 23.15 ? 1209 HOH A O 1 HETATM 2351 O O . HOH H 6 . ? 11.860 -7.070 33.589 1.00 24.25 ? 1210 HOH A O 1 HETATM 2352 O O . HOH H 6 . ? 5.744 7.277 -4.528 1.00 26.82 ? 1211 HOH A O 1 HETATM 2353 O O . HOH H 6 . ? -12.946 1.206 19.341 1.00 13.58 ? 1212 HOH A O 1 HETATM 2354 O O . HOH H 6 . ? 18.067 18.958 8.335 1.00 26.07 ? 1213 HOH A O 1 HETATM 2355 O O . HOH H 6 . ? 3.084 14.886 -4.027 1.00 24.89 ? 1214 HOH A O 1 HETATM 2356 O O . HOH H 6 . ? 12.800 22.538 21.501 1.00 31.78 ? 1215 HOH A O 1 HETATM 2357 O O . HOH H 6 . ? -5.404 4.071 29.333 1.00 6.35 ? 1216 HOH A O 1 HETATM 2358 O O . HOH H 6 . ? 20.556 19.182 12.698 1.00 28.41 ? 1217 HOH A O 1 HETATM 2359 O O . HOH H 6 . ? -21.054 13.373 7.020 1.00 26.27 ? 1218 HOH A O 1 HETATM 2360 O O . HOH H 6 . ? -2.781 -5.057 37.458 1.00 32.11 ? 1219 HOH A O 1 HETATM 2361 O O . HOH H 6 . ? -13.234 23.794 19.976 1.00 11.85 ? 1220 HOH A O 1 HETATM 2362 O O . HOH H 6 . ? 8.306 11.181 1.223 1.00 18.47 ? 1221 HOH A O 1 HETATM 2363 O O . HOH H 6 . ? 5.270 21.954 5.473 1.00 20.46 ? 1222 HOH A O 1 HETATM 2364 O O . HOH H 6 . ? -0.021 -7.516 32.296 1.00 20.78 ? 1223 HOH A O 1 HETATM 2365 O O . HOH H 6 . ? -13.316 11.560 12.504 1.00 32.59 ? 1224 HOH A O 1 HETATM 2366 O O . HOH H 6 . ? -5.738 16.247 -2.673 1.00 29.59 ? 1225 HOH A O 1 HETATM 2367 O O . HOH H 6 . ? -12.435 3.088 33.141 1.00 24.00 ? 1226 HOH A O 1 HETATM 2368 O O . HOH H 6 . ? 11.952 -6.390 23.885 1.00 24.56 ? 1227 HOH A O 1 HETATM 2369 O O . HOH H 6 . ? 12.643 1.419 40.869 1.00 17.16 ? 1228 HOH A O 1 HETATM 2370 O O . HOH H 6 . ? -9.602 17.002 3.090 1.00 19.15 ? 1229 HOH A O 1 HETATM 2371 O O . HOH H 6 . ? -16.818 6.696 2.009 1.00 14.02 ? 1230 HOH A O 1 HETATM 2372 O O . HOH H 6 . ? 2.359 -6.887 27.137 1.00 11.38 ? 1231 HOH A O 1 HETATM 2373 O O . HOH H 6 . ? 2.913 -6.799 35.988 1.00 18.66 ? 1232 HOH A O 1 HETATM 2374 O O . HOH H 6 . ? 13.965 -8.666 7.036 1.00 30.06 ? 1233 HOH A O 1 HETATM 2375 O O . HOH H 6 . ? -5.881 -12.005 16.478 1.00 20.18 ? 1234 HOH A O 1 HETATM 2376 O O . HOH H 6 . ? 10.474 10.965 3.933 1.00 20.23 ? 1235 HOH A O 1 HETATM 2377 O O . HOH H 6 . ? 1.663 11.381 38.779 0.50 12.01 ? 1236 HOH A O 1 HETATM 2378 O O . HOH H 6 . ? -8.232 19.069 4.152 0.50 7.67 ? 1237 HOH A O 1 HETATM 2379 O O . HOH H 6 . ? -2.013 -12.218 12.662 1.00 31.25 ? 1238 HOH A O 1 HETATM 2380 O O . HOH H 6 . ? 11.855 22.933 7.959 1.00 13.81 ? 1239 HOH A O 1 HETATM 2381 O O . HOH H 6 . ? 1.543 19.484 18.724 1.00 21.71 ? 1240 HOH A O 1 HETATM 2382 O O . HOH H 6 . ? 17.272 -3.134 0.490 1.00 23.93 ? 1241 HOH A O 1 HETATM 2383 O O . HOH H 6 . ? 10.105 23.496 10.328 1.00 28.45 ? 1242 HOH A O 1 HETATM 2384 O O . HOH H 6 . ? 16.301 -1.767 20.761 1.00 22.79 ? 1243 HOH A O 1 HETATM 2385 O O . HOH H 6 . ? 8.600 -8.237 32.489 1.00 22.65 ? 1244 HOH A O 1 HETATM 2386 O O . HOH H 6 . ? 6.950 4.735 -5.471 1.00 28.87 ? 1245 HOH A O 1 HETATM 2387 O O . HOH H 6 . ? -7.468 3.313 32.073 1.00 23.30 ? 1246 HOH A O 1 HETATM 2388 O O . HOH H 6 . ? 7.932 1.201 -1.154 1.00 20.00 ? 1247 HOH A O 1 HETATM 2389 O O . HOH H 6 . ? 4.119 8.541 -6.204 1.00 34.44 ? 1248 HOH A O 1 HETATM 2390 O O . HOH H 6 . ? -5.264 -9.643 21.131 1.00 32.02 ? 1249 HOH A O 1 HETATM 2391 O O . HOH H 6 . ? -5.246 -11.264 14.353 1.00 28.48 ? 1250 HOH A O 1 HETATM 2392 O O . HOH H 6 . ? 5.568 16.208 29.792 1.00 22.94 ? 1251 HOH A O 1 HETATM 2393 O O . HOH H 6 . ? -3.414 -7.624 36.422 1.00 17.49 ? 1252 HOH A O 1 HETATM 2394 O O . HOH H 6 . ? 26.286 8.079 37.264 1.00 38.37 ? 1253 HOH A O 1 HETATM 2395 O O . HOH H 6 . ? -12.782 3.220 -1.481 0.50 20.95 ? 1254 HOH A O 1 HETATM 2396 O O . HOH H 6 . ? -2.435 -8.950 20.554 1.00 13.24 ? 1255 HOH A O 1 HETATM 2397 O O . HOH H 6 . ? 25.719 15.768 29.816 1.00 27.24 ? 1256 HOH A O 1 HETATM 2398 O O . HOH H 6 . ? 12.260 8.804 40.713 1.00 30.34 ? 1257 HOH A O 1 HETATM 2399 O O . HOH H 6 . ? 0.443 21.424 3.040 1.00 19.98 ? 1258 HOH A O 1 HETATM 2400 O O . HOH H 6 . ? 1.288 5.844 39.808 1.00 16.70 ? 1259 HOH A O 1 HETATM 2401 O O . HOH H 6 . ? -6.368 20.980 10.754 1.00 31.23 ? 1260 HOH A O 1 HETATM 2402 O O . HOH H 6 . ? 15.538 22.721 14.465 1.00 13.99 ? 1261 HOH A O 1 HETATM 2403 O O . HOH H 6 . ? 12.609 20.052 29.012 0.50 17.42 ? 1262 HOH A O 1 HETATM 2404 O O . HOH H 6 . ? 0.241 20.162 22.714 0.50 10.40 ? 1263 HOH A O 1 HETATM 2405 O O . HOH H 6 . ? -4.153 -7.808 6.996 1.00 10.71 ? 1264 HOH A O 1 HETATM 2406 O O . HOH H 6 . ? 19.459 -0.266 30.058 1.00 26.20 ? 1265 HOH A O 1 HETATM 2407 O O . HOH H 6 . ? -5.271 -7.779 25.761 1.00 14.62 ? 1266 HOH A O 1 HETATM 2408 O O . HOH H 6 . ? -2.971 -5.396 -1.697 1.00 34.15 ? 1267 HOH A O 1 HETATM 2409 O O . HOH H 6 . ? -15.050 0.587 14.820 1.00 21.11 ? 1268 HOH A O 1 HETATM 2410 O O . HOH H 6 . ? -14.653 17.247 23.590 1.00 14.46 ? 1269 HOH A O 1 HETATM 2411 O O . HOH H 6 . ? 22.825 5.089 10.583 1.00 18.67 ? 1270 HOH A O 1 HETATM 2412 O O . HOH H 6 . ? 16.226 21.033 19.879 1.00 22.76 ? 1271 HOH A O 1 HETATM 2413 O O . HOH H 6 . ? -1.722 -11.417 17.018 1.00 22.93 ? 1272 HOH A O 1 HETATM 2414 O O . HOH H 6 . ? 22.143 17.512 26.326 1.00 29.40 ? 1273 HOH A O 1 HETATM 2415 O O . HOH H 6 . ? 3.311 16.329 25.688 1.00 24.86 ? 1274 HOH A O 1 HETATM 2416 O O . HOH H 6 . ? 13.992 24.526 7.567 1.00 25.81 ? 1275 HOH A O 1 HETATM 2417 O O . HOH H 6 . ? 26.143 9.903 33.235 1.00 18.16 ? 1276 HOH A O 1 HETATM 2418 O O . HOH H 6 . ? -0.734 7.247 37.569 1.00 26.15 ? 1277 HOH A O 1 HETATM 2419 O O . HOH H 6 . ? -12.965 14.470 15.387 1.00 26.75 ? 1278 HOH A O 1 HETATM 2420 O O . HOH H 6 . ? 4.635 20.836 3.005 1.00 13.46 ? 1279 HOH A O 1 HETATM 2421 O O . HOH H 6 . ? 17.388 18.883 26.511 1.00 16.79 ? 1280 HOH A O 1 HETATM 2422 O O . HOH H 6 . ? 2.856 22.417 18.462 1.00 15.72 ? 1281 HOH A O 1 HETATM 2423 O O . HOH H 6 . ? 21.749 4.855 32.638 1.00 13.65 ? 1282 HOH A O 1 HETATM 2424 O O . HOH H 6 . ? 21.448 -1.719 33.651 1.00 27.24 ? 1283 HOH A O 1 HETATM 2425 O O . HOH H 6 . ? 7.985 10.596 41.624 1.00 24.39 ? 1284 HOH A O 1 HETATM 2426 O O . HOH H 6 . ? 23.865 8.946 16.432 1.00 33.31 ? 1285 HOH A O 1 HETATM 2427 O O . HOH H 6 . ? -1.775 -8.482 6.493 1.00 28.77 ? 1286 HOH A O 1 HETATM 2428 O O . HOH H 6 . ? -12.001 -2.443 26.620 1.00 33.13 ? 1287 HOH A O 1 HETATM 2429 O O . HOH H 6 . ? 3.539 17.466 21.878 0.50 6.35 ? 1288 HOH A O 1 HETATM 2430 O O . HOH H 6 . ? -5.422 23.179 18.122 1.00 16.72 ? 1289 HOH A O 1 HETATM 2431 O O . HOH H 6 . ? 8.035 18.759 21.364 0.50 7.35 ? 1290 HOH A O 1 HETATM 2432 O O . HOH H 6 . ? 21.318 15.408 38.881 1.00 30.75 ? 1291 HOH A O 1 HETATM 2433 O O . HOH H 6 . ? -14.192 17.473 8.183 1.00 31.47 ? 1292 HOH A O 1 HETATM 2434 O O . HOH H 6 . ? 6.140 -15.730 10.450 1.00 32.08 ? 1293 HOH A O 1 HETATM 2435 O O . HOH H 6 . ? -1.009 -2.296 -1.950 0.50 13.89 ? 1294 HOH A O 1 HETATM 2436 O O . HOH H 6 . ? -12.423 0.796 25.610 1.00 37.02 ? 1295 HOH A O 1 HETATM 2437 O O . HOH H 6 . ? -3.620 19.479 10.614 1.00 17.86 ? 1296 HOH A O 1 HETATM 2438 O O . HOH H 6 . ? 6.185 23.516 19.109 1.00 19.68 ? 1297 HOH A O 1 HETATM 2439 O O . HOH H 6 . ? -14.353 5.510 -4.413 1.00 30.09 ? 1298 HOH A O 1 HETATM 2440 O O . HOH H 6 . ? -13.717 16.385 5.774 1.00 14.35 ? 1299 HOH A O 1 HETATM 2441 O O . HOH H 6 . ? 23.724 3.177 31.981 1.00 35.92 ? 1300 HOH A O 1 HETATM 2442 O O . HOH H 6 . ? 13.566 -6.047 31.583 1.00 27.45 ? 1301 HOH A O 1 HETATM 2443 O O . HOH H 6 . ? -20.816 6.862 6.002 1.00 28.94 ? 1302 HOH A O 1 HETATM 2444 O O . HOH H 6 . ? -2.004 20.264 8.255 1.00 23.07 ? 1303 HOH A O 1 HETATM 2445 O O . HOH H 6 . ? 1.255 20.953 -2.712 0.50 10.33 ? 1304 HOH A O 1 HETATM 2446 O O . HOH H 6 . ? 7.772 13.036 -0.881 0.50 18.03 ? 1305 HOH A O 1 HETATM 2447 O O . HOH H 6 . ? 22.209 2.719 7.534 1.00 23.26 ? 1306 HOH A O 1 HETATM 2448 O O . HOH H 6 . ? 6.035 15.446 27.360 1.00 21.46 ? 1307 HOH A O 1 HETATM 2449 O O . HOH H 6 . ? 14.802 8.200 2.485 1.00 21.92 ? 1308 HOH A O 1 HETATM 2450 O O . HOH H 6 . ? -10.393 11.191 -0.631 1.00 20.97 ? 1309 HOH A O 1 HETATM 2451 O O . HOH H 6 . ? -15.112 15.887 26.344 1.00 30.98 ? 1310 HOH A O 1 HETATM 2452 O O . HOH H 6 . ? -18.256 8.478 8.315 1.00 28.42 ? 1311 HOH A O 1 HETATM 2453 O O . HOH H 6 . ? -6.819 11.588 29.439 1.00 19.90 ? 1312 HOH A O 1 HETATM 2454 O O . HOH H 6 . ? 19.478 12.807 11.451 1.00 16.60 ? 1313 HOH A O 1 HETATM 2455 O O . HOH H 6 . ? 18.813 -1.179 20.521 1.00 34.33 ? 1314 HOH A O 1 HETATM 2456 O O . HOH H 6 . ? -21.210 13.088 10.133 1.00 29.88 ? 1315 HOH A O 1 HETATM 2457 O O . HOH H 6 . ? 21.490 2.421 16.992 1.00 22.91 ? 1316 HOH A O 1 HETATM 2458 O O . HOH H 6 . ? 26.014 16.165 22.721 0.50 16.16 ? 1317 HOH A O 1 HETATM 2459 O O . HOH H 6 . ? 11.517 21.627 5.255 1.00 28.00 ? 1318 HOH A O 1 HETATM 2460 O O . HOH H 6 . ? -19.311 9.141 1.395 0.50 13.09 ? 1319 HOH A O 1 HETATM 2461 O O . HOH H 6 . ? 1.319 19.979 21.410 0.50 8.41 ? 1320 HOH A O 1 HETATM 2462 O O . HOH H 6 . ? 0.664 22.710 5.148 1.00 18.96 ? 1321 HOH A O 1 HETATM 2463 O O . HOH H 6 . ? 0.562 15.215 -6.088 1.00 25.81 ? 1322 HOH A O 1 HETATM 2464 O O . HOH H 6 . ? -14.604 13.894 11.958 1.00 29.05 ? 1323 HOH A O 1 HETATM 2465 O O . HOH H 6 . ? -0.648 -4.093 1.965 1.00 30.02 ? 1324 HOH A O 1 HETATM 2466 O O . HOH H 6 . ? -15.758 -3.625 15.190 1.00 33.75 ? 1325 HOH A O 1 HETATM 2467 O O . HOH H 6 . ? 5.557 -8.425 27.824 1.00 16.70 ? 1326 HOH A O 1 HETATM 2468 O O . HOH H 6 . ? 9.370 -6.897 30.065 1.00 32.26 ? 1327 HOH A O 1 HETATM 2469 O O . HOH H 6 . ? 2.825 22.325 1.776 1.00 14.67 ? 1328 HOH A O 1 HETATM 2470 O O . HOH H 6 . ? -5.612 9.499 32.231 1.00 27.68 ? 1329 HOH A O 1 HETATM 2471 O O . HOH H 6 . ? 11.780 20.879 25.287 1.00 24.55 ? 1330 HOH A O 1 HETATM 2472 O O . HOH H 6 . ? -2.709 -6.043 1.034 1.00 23.49 ? 1331 HOH A O 1 HETATM 2473 O O . HOH H 6 . ? -14.926 1.028 17.435 1.00 26.70 ? 1332 HOH A O 1 HETATM 2474 O O . HOH H 6 . ? 19.202 19.142 22.239 1.00 30.14 ? 1333 HOH A O 1 HETATM 2475 O O . HOH H 6 . ? 9.879 14.085 43.411 1.00 34.11 ? 1334 HOH A O 1 HETATM 2476 O O . HOH H 6 . ? 12.612 25.529 21.239 1.00 33.13 ? 1335 HOH A O 1 HETATM 2477 O O . HOH H 6 . ? -3.202 13.936 28.407 1.00 15.66 ? 1336 HOH A O 1 HETATM 2478 O O . HOH H 6 . ? 7.842 -8.401 29.056 1.00 35.03 ? 1337 HOH A O 1 HETATM 2479 O O . HOH H 6 . ? 19.431 17.738 10.491 1.00 30.11 ? 1338 HOH A O 1 HETATM 2480 O O . HOH H 6 . ? 20.864 3.427 42.184 1.00 24.03 ? 1339 HOH A O 1 HETATM 2481 O O . HOH H 6 . ? 5.344 14.306 -4.666 1.00 22.25 ? 1340 HOH A O 1 HETATM 2482 O O . HOH H 6 . ? 7.863 1.790 41.145 1.00 31.27 ? 1341 HOH A O 1 HETATM 2483 O O . HOH H 6 . ? -8.135 21.874 16.500 1.00 32.14 ? 1342 HOH A O 1 HETATM 2484 O O . HOH H 6 . ? -1.366 21.054 13.032 1.00 12.54 ? 1343 HOH A O 1 HETATM 2485 O O . HOH H 6 . ? -8.794 -6.985 33.962 1.00 29.37 ? 1344 HOH A O 1 HETATM 2486 O O . HOH H 6 . ? 12.877 2.036 43.931 1.00 24.66 ? 1345 HOH A O 1 HETATM 2487 O O . HOH H 6 . ? 19.910 -1.297 17.904 1.00 27.91 ? 1346 HOH A O 1 HETATM 2488 O O . HOH H 6 . ? 28.509 11.094 30.034 1.00 31.21 ? 1347 HOH A O 1 HETATM 2489 O O . HOH H 6 . ? -10.161 4.654 33.226 1.00 27.01 ? 1348 HOH A O 1 HETATM 2490 O O . HOH H 6 . ? 9.280 8.178 41.222 1.00 31.00 ? 1349 HOH A O 1 HETATM 2491 O O . HOH H 6 . ? -6.937 7.428 30.301 1.00 22.17 ? 1350 HOH A O 1 HETATM 2492 O O . HOH H 6 . ? -10.062 -4.621 34.934 1.00 19.56 ? 1351 HOH A O 1 HETATM 2493 O O . HOH H 6 . ? 5.427 -3.060 4.241 1.00 12.17 ? 1352 HOH A O 1 HETATM 2494 O O . HOH H 6 . ? -11.094 4.813 -1.755 0.50 15.95 ? 1353 HOH A O 1 HETATM 2495 O O . HOH H 6 . ? 16.593 -4.919 24.185 1.00 29.67 ? 1354 HOH A O 1 HETATM 2496 O O . HOH H 6 . ? -11.670 0.186 33.156 1.00 29.69 ? 1355 HOH A O 1 HETATM 2497 O O . HOH H 6 . ? 13.170 -7.256 27.576 1.00 28.69 ? 1356 HOH A O 1 HETATM 2498 O O . HOH H 6 . ? 17.770 -5.939 28.633 1.00 33.08 ? 1357 HOH A O 1 HETATM 2499 O O . HOH H 6 . ? 13.116 -2.216 2.724 1.00 23.78 ? 1358 HOH A O 1 HETATM 2500 O O . HOH H 6 . ? 18.439 -1.468 -0.835 1.00 26.19 ? 1359 HOH A O 1 HETATM 2501 O O . HOH H 6 . ? 2.006 -5.524 5.837 1.00 23.15 ? 1360 HOH A O 1 HETATM 2502 O O . HOH H 6 . ? -14.007 7.486 -5.904 1.00 27.50 ? 1361 HOH A O 1 HETATM 2503 O O . HOH H 6 . ? -11.388 19.671 9.249 1.00 27.42 ? 1362 HOH A O 1 HETATM 2504 O O . HOH H 6 . ? -14.401 1.342 21.638 1.00 25.00 ? 1363 HOH A O 1 HETATM 2505 O O . HOH H 6 . ? 19.926 21.954 11.316 1.00 34.11 ? 1364 HOH A O 1 HETATM 2506 O O . HOH H 6 . ? 1.211 3.030 40.489 1.00 23.61 ? 1365 HOH A O 1 HETATM 2507 O O . HOH H 6 . ? -13.318 21.395 16.177 1.00 27.17 ? 1366 HOH A O 1 HETATM 2508 O O . HOH H 6 . ? 25.576 15.869 36.900 1.00 34.85 ? 1367 HOH A O 1 HETATM 2509 O O . HOH H 6 . ? -21.130 17.530 8.898 1.00 36.97 ? 1368 HOH A O 1 HETATM 2510 O O . HOH H 6 . ? 26.305 12.048 36.761 1.00 28.46 ? 1369 HOH A O 1 HETATM 2511 O O . HOH H 6 . ? 22.023 19.652 38.228 1.00 31.75 ? 1370 HOH A O 1 HETATM 2512 O O . HOH H 6 . ? -3.036 12.766 32.820 1.00 33.08 ? 1371 HOH A O 1 HETATM 2513 O O . HOH H 6 . ? -9.247 13.134 29.813 1.00 25.20 ? 1372 HOH A O 1 HETATM 2514 O O . HOH H 6 . ? 20.017 -1.497 23.163 1.00 28.22 ? 1373 HOH A O 1 HETATM 2515 O O . HOH H 6 . ? -11.974 17.794 4.289 1.00 21.37 ? 1374 HOH A O 1 HETATM 2516 O O . HOH H 6 . ? -4.771 13.025 30.177 1.00 25.23 ? 1375 HOH A O 1 HETATM 2517 O O . HOH H 6 . ? 15.718 -7.156 31.457 1.00 31.11 ? 1376 HOH A O 1 HETATM 2518 O O . HOH H 6 . ? -11.007 10.644 30.327 1.00 35.53 ? 1377 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 TRP 1 21 21 TRP TRP A . n A 1 2 GLY 2 22 22 GLY GLY A . n A 1 3 ASN 3 23 23 ASN ASN A . n A 1 4 LEU 4 24 24 LEU LEU A . n A 1 5 GLY 5 25 25 GLY GLY A . n A 1 6 HIS 6 26 26 HIS HIS A . n A 1 7 GLU 7 27 27 GLU GLU A . n A 1 8 THR 8 28 28 THR THR A . n A 1 9 VAL 9 29 29 VAL VAL A . n A 1 10 ALA 10 30 30 ALA ALA A . n A 1 11 TYR 11 31 31 TYR TYR A . n A 1 12 ILE 12 32 32 ILE ILE A . n A 1 13 ALA 13 33 33 ALA ALA A . n A 1 14 GLN 14 34 34 GLN GLN A . n A 1 15 SER 15 35 35 SER SER A . n A 1 16 PHE 16 36 36 PHE PHE A . n A 1 17 VAL 17 37 37 VAL VAL A . n A 1 18 ALA 18 38 38 ALA ALA A . n A 1 19 SER 19 39 39 SER SER A . n A 1 20 SER 20 40 40 SER SER A . n A 1 21 THR 21 41 41 THR THR A . n A 1 22 GLU 22 42 42 GLU GLU A . n A 1 23 SER 23 43 43 SER SER A . n A 1 24 PHE 24 44 44 PHE PHE A . n A 1 25 CYS 25 45 45 CYS CYS A . n A 1 26 GLN 26 46 46 GLN GLN A . n A 1 27 ASN 27 47 47 ASN ASN A . n A 1 28 ILE 28 48 48 ILE ILE A . n A 1 29 LEU 29 49 49 LEU LEU A . n A 1 30 GLY 30 50 50 GLY GLY A . n A 1 31 ASP 31 51 51 ASP ASP A . n A 1 32 ASP 32 52 52 ASP ASP A . n A 1 33 SER 33 53 53 SER SER A . n A 1 34 THR 34 54 54 THR THR A . n A 1 35 SER 35 55 55 SER SER A . n A 1 36 TYR 36 56 56 TYR TYR A . n A 1 37 LEU 37 57 57 LEU LEU A . n A 1 38 ALA 38 58 58 ALA ALA A . n A 1 39 ASN 39 59 59 ASN ASN A . n A 1 40 VAL 40 60 60 VAL VAL A . n A 1 41 ALA 41 61 61 ALA ALA A . n A 1 42 THR 42 62 62 THR THR A . n A 1 43 TRP 43 63 63 TRP TRP A . n A 1 44 ALA 44 64 64 ALA ALA A . n A 1 45 ASP 45 65 65 ASP ASP A . n A 1 46 THR 46 66 66 THR THR A . n A 1 47 TYR 47 67 67 TYR TYR A . n A 1 48 LYS 48 68 68 LYS LYS A . n A 1 49 TYR 49 69 69 TYR TYR A . n A 1 50 THR 50 70 70 THR THR A . n A 1 51 ASP 51 71 71 ASP ASP A . n A 1 52 ALA 52 72 72 ALA ALA A . n A 1 53 GLY 53 73 73 GLY GLY A . n A 1 54 GLU 54 74 74 GLU GLU A . n A 1 55 PHE 55 75 75 PHE PHE A . n A 1 56 SER 56 76 76 SER SER A . n A 1 57 LYS 57 77 77 LYS LYS A . n A 1 58 PRO 58 78 78 PRO PRO A . n A 1 59 TYR 59 79 79 TYR TYR A . n A 1 60 HIS 60 80 80 HIS HIS A . n A 1 61 PHE 61 81 81 PHE PHE A . n A 1 62 ILE 62 82 82 ILE ILE A . n A 1 63 ASP 63 83 83 ASP ASP A . n A 1 64 ALA 64 84 84 ALA ALA A . n A 1 65 GLN 65 85 85 GLN GLN A . n A 1 66 ASP 66 86 86 ASP ASP A . n A 1 67 ASN 67 87 87 ASN ASN A . n A 1 68 PRO 68 88 88 PRO PRO A . n A 1 69 PRO 69 89 89 PRO PRO A . n A 1 70 GLN 70 90 90 GLN GLN A . n A 1 71 SER 71 91 91 SER SER A . n A 1 72 CYS 72 92 92 CYS CYS A . n A 1 73 GLY 73 93 93 GLY GLY A . n A 1 74 VAL 74 94 94 VAL VAL A . n A 1 75 ASP 75 95 95 ASP ASP A . n A 1 76 TYR 76 96 96 TYR TYR A . n A 1 77 ASP 77 97 97 ASP ASP A . n A 1 78 ARG 78 98 98 ARG ARG A . n A 1 79 ASP 79 99 99 ASP ASP A . n A 1 80 CYS 80 100 100 CYS CYS A . n A 1 81 GLY 81 101 101 GLY GLY A . n A 1 82 SER 82 102 102 SER SER A . n A 1 83 ALA 83 103 103 ALA ALA A . n A 1 84 GLY 84 104 104 GLY GLY A . n A 1 85 CYS 85 105 105 CYS CYS A . n A 1 86 SER 86 106 106 SER SER A . n A 1 87 ILE 87 107 107 ILE ILE A . n A 1 88 SER 88 108 108 SER SER A . n A 1 89 ALA 89 109 109 ALA ALA A . n A 1 90 ILE 90 110 110 ILE ILE A . n A 1 91 GLN 91 111 111 GLN GLN A . n A 1 92 ASN 92 112 112 ASN ASN A . n A 1 93 TYR 93 113 113 TYR TYR A . n A 1 94 THR 94 114 114 THR THR A . n A 1 95 ASN 95 115 115 ASN ASN A . n A 1 96 ILE 96 116 116 ILE ILE A . n A 1 97 LEU 97 117 117 LEU LEU A . n A 1 98 LEU 98 118 118 LEU LEU A . n A 1 99 GLU 99 119 119 GLU GLU A . n A 1 100 SER 100 120 120 SER SER A . n A 1 101 PRO 101 121 121 PRO PRO A . n A 1 102 ASN 102 122 122 ASN ASN A . n A 1 103 GLY 103 123 123 GLY GLY A . n A 1 104 SER 104 124 124 SER SER A . n A 1 105 GLU 105 125 125 GLU GLU A . n A 1 106 ALA 106 126 126 ALA ALA A . n A 1 107 LEU 107 127 127 LEU LEU A . n A 1 108 ASN 108 128 128 ASN ASN A . n A 1 109 ALA 109 129 129 ALA ALA A . n A 1 110 LEU 110 130 130 LEU LEU A . n A 1 111 LYS 111 131 131 LYS LYS A . n A 1 112 PHE 112 132 132 PHE PHE A . n A 1 113 VAL 113 133 133 VAL VAL A . n A 1 114 VAL 114 134 134 VAL VAL A . n A 1 115 HIS 115 135 135 HIS HIS A . n A 1 116 ILE 116 136 136 ILE ILE A . n A 1 117 ILE 117 137 137 ILE ILE A . n A 1 118 GLY 118 138 138 GLY GLY A . n A 1 119 ASP 119 139 139 ASP ASP A . n A 1 120 ILE 120 140 140 ILE ILE A . n A 1 121 HIS 121 141 141 HIS HIS A . n A 1 122 GLN 122 142 142 GLN GLN A . n A 1 123 PRO 123 143 143 PRO PRO A . n A 1 124 LEU 124 144 144 LEU LEU A . n A 1 125 HIS 125 145 145 HIS HIS A . n A 1 126 ASP 126 146 146 ASP ASP A . n A 1 127 GLU 127 147 147 GLU GLU A . n A 1 128 ASN 128 148 148 ASN ASN A . n A 1 129 LEU 129 149 149 LEU LEU A . n A 1 130 GLU 130 150 150 GLU GLU A . n A 1 131 ALA 131 151 151 ALA ALA A . n A 1 132 GLY 132 152 152 GLY GLY A . n A 1 133 GLY 133 153 153 GLY GLY A . n A 1 134 ASN 134 154 154 ASN ASN A . n A 1 135 GLY 135 155 155 GLY GLY A . n A 1 136 ILE 136 156 156 ILE ILE A . n A 1 137 ASP 137 157 157 ASP ASP A . n A 1 138 VAL 138 158 158 VAL VAL A . n A 1 139 THR 139 159 159 THR THR A . n A 1 140 TYR 140 160 160 TYR TYR A . n A 1 141 ASP 141 161 161 ASP ASP A . n A 1 142 GLY 142 162 162 GLY GLY A . n A 1 143 GLU 143 163 163 GLU GLU A . n A 1 144 THR 144 164 164 THR THR A . n A 1 145 THR 145 165 165 THR THR A . n A 1 146 ASN 146 166 166 ASN ASN A . n A 1 147 LEU 147 167 167 LEU LEU A . n A 1 148 HIS 148 168 168 HIS HIS A . n A 1 149 HIS 149 169 169 HIS HIS A . n A 1 150 ILE 150 170 170 ILE ILE A . n A 1 151 TRP 151 171 171 TRP TRP A . n A 1 152 ASP 152 172 172 ASP ASP A . n A 1 153 THR 153 173 173 THR THR A . n A 1 154 ASN 154 174 174 ASN ASN A . n A 1 155 MET 155 175 175 MET MET A . n A 1 156 PRO 156 176 176 PRO PRO A . n A 1 157 GLU 157 177 177 GLU GLU A . n A 1 158 GLU 158 178 178 GLU GLU A . n A 1 159 ALA 159 179 179 ALA ALA A . n A 1 160 ALA 160 180 180 ALA ALA A . n A 1 161 GLY 161 181 181 GLY GLY A . n A 1 162 GLY 162 182 182 GLY GLY A . n A 1 163 TYR 163 183 183 TYR TYR A . n A 1 164 SER 164 184 184 SER SER A . n A 1 165 LEU 165 185 185 LEU LEU A . n A 1 166 SER 166 186 186 SER SER A . n A 1 167 VAL 167 187 187 VAL VAL A . n A 1 168 ALA 168 188 188 ALA ALA A . n A 1 169 LYS 169 189 189 LYS LYS A . n A 1 170 THR 170 190 190 THR THR A . n A 1 171 TYR 171 191 191 TYR TYR A . n A 1 172 ALA 172 192 192 ALA ALA A . n A 1 173 ASP 173 193 193 ASP ASP A . n A 1 174 LEU 174 194 194 LEU LEU A . n A 1 175 LEU 175 195 195 LEU LEU A . n A 1 176 THR 176 196 196 THR THR A . n A 1 177 GLU 177 197 197 GLU GLU A . n A 1 178 ARG 178 198 198 ARG ARG A . n A 1 179 ILE 179 199 199 ILE ILE A . n A 1 180 LYS 180 200 200 LYS LYS A . n A 1 181 THR 181 201 201 THR THR A . n A 1 182 GLY 182 202 202 GLY GLY A . n A 1 183 THR 183 203 203 THR THR A . n A 1 184 TYR 184 204 204 TYR TYR A . n A 1 185 SER 185 205 205 SER SER A . n A 1 186 SER 186 206 206 SER SER A . n A 1 187 LYS 187 207 207 LYS LYS A . n A 1 188 LYS 188 208 208 LYS LYS A . n A 1 189 ASP 189 209 209 ASP ASP A . n A 1 190 SER 190 210 210 SER SER A . n A 1 191 TRP 191 211 211 TRP TRP A . n A 1 192 THR 192 212 212 THR THR A . n A 1 193 ASP 193 213 213 ASP ASP A . n A 1 194 GLY 194 214 214 GLY GLY A . n A 1 195 ILE 195 215 215 ILE ILE A . n A 1 196 ASP 196 216 216 ASP ASP A . n A 1 197 ILE 197 217 217 ILE ILE A . n A 1 198 LYS 198 218 218 LYS LYS A . n A 1 199 ASP 199 219 219 ASP ASP A . n A 1 200 PRO 200 220 220 PRO PRO A . n A 1 201 VAL 201 221 221 VAL VAL A . n A 1 202 SER 202 222 222 SER SER A . n A 1 203 THR 203 223 223 THR THR A . n A 1 204 SER 204 224 224 SER SER A . n A 1 205 MET 205 225 225 MET MET A . n A 1 206 ILE 206 226 226 ILE ILE A . n A 1 207 TRP 207 227 227 TRP TRP A . n A 1 208 ALA 208 228 228 ALA ALA A . n A 1 209 ALA 209 229 229 ALA ALA A . n A 1 210 ASP 210 230 230 ASP ASP A . n A 1 211 ALA 211 231 231 ALA ALA A . n A 1 212 ASN 212 232 232 ASN ASN A . n A 1 213 THR 213 233 233 THR THR A . n A 1 214 TYR 214 234 234 TYR TYR A . n A 1 215 VAL 215 235 235 VAL VAL A . n A 1 216 CYS 216 236 236 CYS CYS A . n A 1 217 SER 217 237 237 SER SER A . n A 1 218 THR 218 238 238 THR THR A . n A 1 219 VAL 219 239 239 VAL VAL A . n A 1 220 LEU 220 240 240 LEU LEU A . n A 1 221 ASP 221 241 241 ASP ASP A . n A 1 222 ASP 222 242 242 ASP ASP A . n A 1 223 GLY 223 243 243 GLY GLY A . n A 1 224 LEU 224 244 244 LEU LEU A . n A 1 225 ALA 225 245 245 ALA ALA A . n A 1 226 TYR 226 246 246 TYR TYR A . n A 1 227 ILE 227 247 247 ILE ILE A . n A 1 228 ASN 228 248 248 ASN ASN A . n A 1 229 SER 229 249 249 SER SER A . n A 1 230 THR 230 250 250 THR THR A . n A 1 231 ASP 231 251 251 ASP ASP A . n A 1 232 LEU 232 252 252 LEU LEU A . n A 1 233 SER 233 253 253 SER SER A . n A 1 234 GLY 234 254 254 GLY GLY A . n A 1 235 GLU 235 255 255 GLU GLU A . n A 1 236 TYR 236 256 256 TYR TYR A . n A 1 237 TYR 237 257 257 TYR TYR A . n A 1 238 ASP 238 258 258 ASP ASP A . n A 1 239 LYS 239 259 259 LYS LYS A . n A 1 240 SER 240 260 260 SER SER A . n A 1 241 GLN 241 261 261 GLN GLN A . n A 1 242 PRO 242 262 262 PRO PRO A . n A 1 243 VAL 243 263 263 VAL VAL A . n A 1 244 PHE 244 264 264 PHE PHE A . n A 1 245 GLU 245 265 265 GLU GLU A . n A 1 246 GLU 246 266 266 GLU GLU A . n A 1 247 LEU 247 267 267 LEU LEU A . n A 1 248 ILE 248 268 268 ILE ILE A . n A 1 249 ALA 249 269 269 ALA ALA A . n A 1 250 LYS 250 270 270 LYS LYS A . n A 1 251 ALA 251 271 271 ALA ALA A . n A 1 252 GLY 252 272 272 GLY GLY A . n A 1 253 TYR 253 273 273 TYR TYR A . n A 1 254 ARG 254 274 274 ARG ARG A . n A 1 255 LEU 255 275 275 LEU LEU A . n A 1 256 ALA 256 276 276 ALA ALA A . n A 1 257 ALA 257 277 277 ALA ALA A . n A 1 258 TRP 258 278 278 TRP TRP A . n A 1 259 LEU 259 279 279 LEU LEU A . n A 1 260 ASP 260 280 280 ASP ASP A . n A 1 261 LEU 261 281 281 LEU LEU A . n A 1 262 ILE 262 282 282 ILE ILE A . n A 1 263 ALA 263 283 283 ALA ALA A . n A 1 264 SER 264 284 284 SER SER A . n A 1 265 GLN 265 285 285 GLN GLN A . n A 1 266 PRO 266 286 286 PRO PRO A . n A 1 267 SER 267 287 287 SER SER 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 ZN 1 401 401 ZN ZN A . C 2 ZN 1 402 402 ZN ZN A . D 2 ZN 1 403 403 ZN ZN A . E 3 NAG 1 501 501 NAG NAG A . F 4 PO4 1 601 601 PO4 PO4 A . G 5 DCZ 1 701 701 DCZ DCZ A . H 6 HOH 1 1001 1178 HOH HOH A . H 6 HOH 2 1002 1191 HOH HOH A . H 6 HOH 3 1003 1129 HOH HOH A . H 6 HOH 4 1004 978 HOH HOH A . H 6 HOH 5 1005 1165 HOH HOH A . H 6 HOH 6 1006 976 HOH HOH A . H 6 HOH 7 1007 960 HOH HOH A . H 6 HOH 8 1008 1039 HOH HOH A . H 6 HOH 9 1009 879 HOH HOH A . H 6 HOH 10 1010 916 HOH HOH A . H 6 HOH 11 1011 1128 HOH HOH A . H 6 HOH 12 1012 1106 HOH HOH A . H 6 HOH 13 1013 1133 HOH HOH A . H 6 HOH 14 1014 838 HOH HOH A . H 6 HOH 15 1015 1168 HOH HOH A . H 6 HOH 16 1016 1059 HOH HOH A . H 6 HOH 17 1017 920 HOH HOH A . H 6 HOH 18 1018 904 HOH HOH A . H 6 HOH 19 1019 913 HOH HOH A . H 6 HOH 20 1020 1080 HOH HOH A . H 6 HOH 21 1021 955 HOH HOH A . H 6 HOH 22 1022 876 HOH HOH A . H 6 HOH 23 1023 1014 HOH HOH A . H 6 HOH 24 1024 1046 HOH HOH A . H 6 HOH 25 1025 1108 HOH HOH A . H 6 HOH 26 1026 1153 HOH HOH A . H 6 HOH 27 1027 1105 HOH HOH A . H 6 HOH 28 1028 1008 HOH HOH A . H 6 HOH 29 1029 842 HOH HOH A . H 6 HOH 30 1030 899 HOH HOH A . H 6 HOH 31 1031 940 HOH HOH A . H 6 HOH 32 1032 1116 HOH HOH A . H 6 HOH 33 1033 1130 HOH HOH A . H 6 HOH 34 1034 867 HOH HOH A . H 6 HOH 35 1035 1020 HOH HOH A . H 6 HOH 36 1036 1160 HOH HOH A . H 6 HOH 37 1037 943 HOH HOH A . H 6 HOH 38 1038 1032 HOH HOH A . H 6 HOH 39 1039 861 HOH HOH A . H 6 HOH 40 1040 1027 HOH HOH A . H 6 HOH 41 1041 1036 HOH HOH A . H 6 HOH 42 1042 990 HOH HOH A . H 6 HOH 43 1043 1042 HOH HOH A . H 6 HOH 44 1044 935 HOH HOH A . H 6 HOH 45 1045 1107 HOH HOH A . H 6 HOH 46 1046 1177 HOH HOH A . H 6 HOH 47 1047 1057 HOH HOH A . H 6 HOH 48 1048 1041 HOH HOH A . H 6 HOH 49 1049 807 HOH HOH A . H 6 HOH 50 1050 815 HOH HOH A . H 6 HOH 51 1051 1118 HOH HOH A . H 6 HOH 52 1052 830 HOH HOH A . H 6 HOH 53 1053 995 HOH HOH A . H 6 HOH 54 1054 872 HOH HOH A . H 6 HOH 55 1055 873 HOH HOH A . H 6 HOH 56 1056 996 HOH HOH A . H 6 HOH 57 1057 1146 HOH HOH A . H 6 HOH 58 1058 886 HOH HOH A . H 6 HOH 59 1059 875 HOH HOH A . H 6 HOH 60 1060 1126 HOH HOH A . H 6 HOH 61 1061 1145 HOH HOH A . H 6 HOH 62 1062 1066 HOH HOH A . H 6 HOH 63 1063 1043 HOH HOH A . H 6 HOH 64 1064 882 HOH HOH A . H 6 HOH 65 1065 924 HOH HOH A . H 6 HOH 66 1066 1093 HOH HOH A . H 6 HOH 67 1067 986 HOH HOH A . H 6 HOH 68 1068 856 HOH HOH A . H 6 HOH 69 1069 869 HOH HOH A . H 6 HOH 70 1070 1113 HOH HOH A . H 6 HOH 71 1071 1114 HOH HOH A . H 6 HOH 72 1072 839 HOH HOH A . H 6 HOH 73 1073 970 HOH HOH A . H 6 HOH 74 1074 1099 HOH HOH A . H 6 HOH 75 1075 820 HOH HOH A . H 6 HOH 76 1076 806 HOH HOH A . H 6 HOH 77 805 805 HOH HOH A . H 6 HOH 78 1078 847 HOH HOH A . H 6 HOH 79 1079 919 HOH HOH A . H 6 HOH 80 1080 1100 HOH HOH A . H 6 HOH 81 1081 850 HOH HOH A . H 6 HOH 82 1082 834 HOH HOH A . H 6 HOH 83 1083 1035 HOH HOH A . H 6 HOH 84 1084 826 HOH HOH A . H 6 HOH 85 1085 1090 HOH HOH A . H 6 HOH 86 1086 1184 HOH HOH A . H 6 HOH 87 1087 1156 HOH HOH A . H 6 HOH 88 1088 1031 HOH HOH A . H 6 HOH 89 1089 966 HOH HOH A . H 6 HOH 90 1090 822 HOH HOH A . H 6 HOH 91 1091 878 HOH HOH A . H 6 HOH 92 1092 936 HOH HOH A . H 6 HOH 93 1093 1141 HOH HOH A . H 6 HOH 94 1094 1023 HOH HOH A . H 6 HOH 95 1095 1186 HOH HOH A . H 6 HOH 96 1096 896 HOH HOH A . H 6 HOH 97 1097 1095 HOH HOH A . H 6 HOH 98 1098 825 HOH HOH A . H 6 HOH 99 1099 1125 HOH HOH A . H 6 HOH 100 1100 1061 HOH HOH A . H 6 HOH 101 1101 947 HOH HOH A . H 6 HOH 102 1102 1034 HOH HOH A . H 6 HOH 103 1103 828 HOH HOH A . H 6 HOH 104 1104 870 HOH HOH A . H 6 HOH 105 1105 812 HOH HOH A . H 6 HOH 106 1106 965 HOH HOH A . H 6 HOH 107 1107 915 HOH HOH A . H 6 HOH 108 1108 1060 HOH HOH A . H 6 HOH 109 1109 1091 HOH HOH A . H 6 HOH 110 1110 849 HOH HOH A . H 6 HOH 111 1111 914 HOH HOH A . H 6 HOH 112 1112 1055 HOH HOH A . H 6 HOH 113 1113 945 HOH HOH A . H 6 HOH 114 1114 1058 HOH HOH A . H 6 HOH 115 1115 1009 HOH HOH A . H 6 HOH 116 1116 1040 HOH HOH A . H 6 HOH 117 1117 840 HOH HOH A . H 6 HOH 118 1118 865 HOH HOH A . H 6 HOH 119 1119 969 HOH HOH A . H 6 HOH 120 1120 823 HOH HOH A . H 6 HOH 121 1121 868 HOH HOH A . H 6 HOH 122 1122 871 HOH HOH A . H 6 HOH 123 1123 857 HOH HOH A . H 6 HOH 124 1124 811 HOH HOH A . H 6 HOH 125 1125 829 HOH HOH A . H 6 HOH 126 1126 1162 HOH HOH A . H 6 HOH 127 1127 977 HOH HOH A . H 6 HOH 128 1128 1049 HOH HOH A . H 6 HOH 129 1129 893 HOH HOH A . H 6 HOH 130 1130 925 HOH HOH A . H 6 HOH 131 1131 843 HOH HOH A . H 6 HOH 132 1132 864 HOH HOH A . H 6 HOH 133 1133 1005 HOH HOH A . H 6 HOH 134 1134 929 HOH HOH A . H 6 HOH 135 1135 992 HOH HOH A . H 6 HOH 136 1136 987 HOH HOH A . H 6 HOH 137 1137 933 HOH HOH A . H 6 HOH 138 1138 819 HOH HOH A . H 6 HOH 139 1139 930 HOH HOH A . H 6 HOH 140 1140 895 HOH HOH A . H 6 HOH 141 1141 1006 HOH HOH A . H 6 HOH 142 1142 944 HOH HOH A . H 6 HOH 143 1143 934 HOH HOH A . H 6 HOH 144 1144 1018 HOH HOH A . H 6 HOH 145 1145 946 HOH HOH A . H 6 HOH 146 1146 832 HOH HOH A . H 6 HOH 147 1147 837 HOH HOH A . H 6 HOH 148 1148 963 HOH HOH A . H 6 HOH 149 1149 959 HOH HOH A . H 6 HOH 150 1150 853 HOH HOH A . H 6 HOH 151 1151 931 HOH HOH A . H 6 HOH 152 1152 981 HOH HOH A . H 6 HOH 153 1153 813 HOH HOH A . H 6 HOH 154 1154 1142 HOH HOH A . H 6 HOH 155 1155 824 HOH HOH A . H 6 HOH 156 1156 908 HOH HOH A . H 6 HOH 157 1157 818 HOH HOH A . H 6 HOH 158 1158 1109 HOH HOH A . H 6 HOH 159 1159 810 HOH HOH A . H 6 HOH 160 1160 932 HOH HOH A . H 6 HOH 161 1161 881 HOH HOH A . H 6 HOH 162 1162 1183 HOH HOH A . H 6 HOH 163 1163 937 HOH HOH A . H 6 HOH 164 1164 954 HOH HOH A . H 6 HOH 165 1165 922 HOH HOH A . H 6 HOH 166 1166 988 HOH HOH A . H 6 HOH 167 1167 906 HOH HOH A . H 6 HOH 168 1168 1119 HOH HOH A . H 6 HOH 169 1169 1053 HOH HOH A . H 6 HOH 170 1170 891 HOH HOH A . H 6 HOH 171 1171 903 HOH HOH A . H 6 HOH 172 1172 808 HOH HOH A . H 6 HOH 173 1173 1089 HOH HOH A . H 6 HOH 174 1174 889 HOH HOH A . H 6 HOH 175 1175 1033 HOH HOH A . H 6 HOH 176 1176 1016 HOH HOH A . H 6 HOH 177 1177 821 HOH HOH A . H 6 HOH 178 1178 1149 HOH HOH A . H 6 HOH 179 1179 816 HOH HOH A . H 6 HOH 180 1180 1140 HOH HOH A . H 6 HOH 181 1181 1062 HOH HOH A . H 6 HOH 182 1182 1067 HOH HOH A . H 6 HOH 183 1183 905 HOH HOH A . H 6 HOH 184 1184 846 HOH HOH A . H 6 HOH 185 1185 858 HOH HOH A . H 6 HOH 186 1186 994 HOH HOH A . H 6 HOH 187 1187 1065 HOH HOH A . H 6 HOH 188 1188 953 HOH HOH A . H 6 HOH 189 1189 1022 HOH HOH A . H 6 HOH 190 1190 1007 HOH HOH A . H 6 HOH 191 1191 984 HOH HOH A . H 6 HOH 192 1192 1084 HOH HOH A . H 6 HOH 193 1193 1088 HOH HOH A . H 6 HOH 194 1194 859 HOH HOH A . H 6 HOH 195 1195 833 HOH HOH A . H 6 HOH 196 1196 927 HOH HOH A . H 6 HOH 197 1197 948 HOH HOH A . H 6 HOH 198 1198 979 HOH HOH A . H 6 HOH 199 1199 949 HOH HOH A . H 6 HOH 200 1200 1052 HOH HOH A . H 6 HOH 201 1201 887 HOH HOH A . H 6 HOH 202 1202 956 HOH HOH A . H 6 HOH 203 1203 1164 HOH HOH A . H 6 HOH 204 1204 1071 HOH HOH A . H 6 HOH 205 1205 1087 HOH HOH A . H 6 HOH 206 1206 912 HOH HOH A . H 6 HOH 207 1207 1173 HOH HOH A . H 6 HOH 208 1208 836 HOH HOH A . H 6 HOH 209 1209 1120 HOH HOH A . H 6 HOH 210 1210 1003 HOH HOH A . H 6 HOH 211 1211 1012 HOH HOH A . H 6 HOH 212 1212 860 HOH HOH A . H 6 HOH 213 1213 961 HOH HOH A . H 6 HOH 214 1214 1075 HOH HOH A . H 6 HOH 215 1215 1111 HOH HOH A . H 6 HOH 216 1216 809 HOH HOH A . H 6 HOH 217 1217 999 HOH HOH A . H 6 HOH 218 1218 1155 HOH HOH A . H 6 HOH 219 1219 1154 HOH HOH A . H 6 HOH 220 1220 884 HOH HOH A . H 6 HOH 221 1221 982 HOH HOH A . H 6 HOH 222 1222 897 HOH HOH A . H 6 HOH 223 1223 921 HOH HOH A . H 6 HOH 224 1224 1068 HOH HOH A . H 6 HOH 225 1225 951 HOH HOH A . H 6 HOH 226 1226 901 HOH HOH A . H 6 HOH 227 1227 1017 HOH HOH A . H 6 HOH 228 1228 983 HOH HOH A . H 6 HOH 229 1229 926 HOH HOH A . H 6 HOH 230 1230 854 HOH HOH A . H 6 HOH 231 1231 892 HOH HOH A . H 6 HOH 232 1232 835 HOH HOH A . H 6 HOH 233 1233 844 HOH HOH A . H 6 HOH 234 1234 911 HOH HOH A . H 6 HOH 235 1235 1054 HOH HOH A . H 6 HOH 236 1236 1110 HOH HOH A . H 6 HOH 237 1237 1181 HOH HOH A . H 6 HOH 238 1238 1069 HOH HOH A . H 6 HOH 239 1239 863 HOH HOH A . H 6 HOH 240 1240 910 HOH HOH A . H 6 HOH 241 1241 1029 HOH HOH A . H 6 HOH 242 1242 1134 HOH HOH A . H 6 HOH 243 1243 938 HOH HOH A . H 6 HOH 244 1244 1024 HOH HOH A . H 6 HOH 245 1245 827 HOH HOH A . H 6 HOH 246 1246 1038 HOH HOH A . H 6 HOH 247 1247 862 HOH HOH A . H 6 HOH 248 1248 1064 HOH HOH A . H 6 HOH 249 1249 1083 HOH HOH A . H 6 HOH 250 1250 1150 HOH HOH A . H 6 HOH 251 1251 874 HOH HOH A . H 6 HOH 252 1252 918 HOH HOH A . H 6 HOH 253 1253 1166 HOH HOH A . H 6 HOH 254 1254 1051 HOH HOH A . H 6 HOH 255 1255 851 HOH HOH A . H 6 HOH 256 1256 1115 HOH HOH A . H 6 HOH 257 1257 1123 HOH HOH A . H 6 HOH 258 1258 952 HOH HOH A . H 6 HOH 259 1259 852 HOH HOH A . H 6 HOH 260 1260 1180 HOH HOH A . H 6 HOH 261 1261 855 HOH HOH A . H 6 HOH 262 1262 1192 HOH HOH A . H 6 HOH 263 1263 1001 HOH HOH A . H 6 HOH 264 1264 848 HOH HOH A . H 6 HOH 265 1265 997 HOH HOH A . H 6 HOH 266 1266 907 HOH HOH A . H 6 HOH 267 1267 1152 HOH HOH A . H 6 HOH 268 1268 917 HOH HOH A . H 6 HOH 269 1269 866 HOH HOH A . H 6 HOH 270 1270 888 HOH HOH A . H 6 HOH 271 1271 958 HOH HOH A . H 6 HOH 272 1272 1151 HOH HOH A . H 6 HOH 273 1273 1176 HOH HOH A . H 6 HOH 274 1274 964 HOH HOH A . H 6 HOH 275 1275 1013 HOH HOH A . H 6 HOH 276 1276 880 HOH HOH A . H 6 HOH 277 1277 1179 HOH HOH A . H 6 HOH 278 1278 972 HOH HOH A . H 6 HOH 279 1279 1074 HOH HOH A . H 6 HOH 280 1280 950 HOH HOH A . H 6 HOH 281 1281 980 HOH HOH A . H 6 HOH 282 1282 817 HOH HOH A . H 6 HOH 283 1283 1136 HOH HOH A . H 6 HOH 284 1284 1121 HOH HOH A . H 6 HOH 285 1285 1190 HOH HOH A . H 6 HOH 286 1286 1143 HOH HOH A . H 6 HOH 287 1287 877 HOH HOH A . H 6 HOH 288 1288 1081 HOH HOH A . H 6 HOH 289 1289 898 HOH HOH A . H 6 HOH 290 1290 883 HOH HOH A . H 6 HOH 291 1291 1182 HOH HOH A . H 6 HOH 292 1292 1025 HOH HOH A . H 6 HOH 293 1293 1171 HOH HOH A . H 6 HOH 294 1294 1158 HOH HOH A . H 6 HOH 295 1295 1137 HOH HOH A . H 6 HOH 296 1296 814 HOH HOH A . H 6 HOH 297 1297 909 HOH HOH A . H 6 HOH 298 1298 1096 HOH HOH A . H 6 HOH 299 1299 900 HOH HOH A . H 6 HOH 300 1300 1169 HOH HOH A . H 6 HOH 301 1301 1048 HOH HOH A . H 6 HOH 302 1302 1135 HOH HOH A . H 6 HOH 303 1303 831 HOH HOH A . H 6 HOH 304 1304 985 HOH HOH A . H 6 HOH 305 1305 1127 HOH HOH A . H 6 HOH 306 1306 841 HOH HOH A . H 6 HOH 307 1307 1082 HOH HOH A . H 6 HOH 308 1308 962 HOH HOH A . H 6 HOH 309 1309 975 HOH HOH A . H 6 HOH 310 1310 902 HOH HOH A . H 6 HOH 311 1311 973 HOH HOH A . H 6 HOH 312 1312 1076 HOH HOH A . H 6 HOH 313 1313 923 HOH HOH A . H 6 HOH 314 1314 1187 HOH HOH A . H 6 HOH 315 1315 1030 HOH HOH A . H 6 HOH 316 1316 941 HOH HOH A . H 6 HOH 317 1317 1015 HOH HOH A . H 6 HOH 318 1318 1004 HOH HOH A . H 6 HOH 319 1319 1189 HOH HOH A . H 6 HOH 320 1320 1085 HOH HOH A . H 6 HOH 321 1321 942 HOH HOH A . H 6 HOH 322 1322 928 HOH HOH A . H 6 HOH 323 1323 1044 HOH HOH A . H 6 HOH 324 1324 939 HOH HOH A . H 6 HOH 325 1325 1188 HOH HOH A . H 6 HOH 326 1326 1094 HOH HOH A . H 6 HOH 327 1327 1101 HOH HOH A . H 6 HOH 328 1328 1072 HOH HOH A . H 6 HOH 329 1329 1104 HOH HOH A . H 6 HOH 330 1330 1185 HOH HOH A . H 6 HOH 331 1331 1132 HOH HOH A . H 6 HOH 332 1332 1011 HOH HOH A . H 6 HOH 333 1333 1174 HOH HOH A . H 6 HOH 334 1334 1170 HOH HOH A . H 6 HOH 335 1335 1138 HOH HOH A . H 6 HOH 336 1336 890 HOH HOH A . H 6 HOH 337 1337 1102 HOH HOH A . H 6 HOH 338 1338 1056 HOH HOH A . H 6 HOH 339 1339 894 HOH HOH A . H 6 HOH 340 1340 1086 HOH HOH A . H 6 HOH 341 1341 1079 HOH HOH A . H 6 HOH 342 1342 1092 HOH HOH A . H 6 HOH 343 1343 885 HOH HOH A . H 6 HOH 344 1344 1098 HOH HOH A . H 6 HOH 345 1345 1077 HOH HOH A . H 6 HOH 346 1346 1050 HOH HOH A . H 6 HOH 347 1347 1078 HOH HOH A . H 6 HOH 348 1348 993 HOH HOH A . H 6 HOH 349 1349 1122 HOH HOH A . H 6 HOH 350 1350 974 HOH HOH A . H 6 HOH 351 1351 1073 HOH HOH A . H 6 HOH 352 1352 971 HOH HOH A . H 6 HOH 353 1353 1117 HOH HOH A . H 6 HOH 354 1354 1047 HOH HOH A . H 6 HOH 355 1355 1103 HOH HOH A . H 6 HOH 356 1356 1163 HOH HOH A . H 6 HOH 357 1357 1159 HOH HOH A . H 6 HOH 358 1358 1124 HOH HOH A . H 6 HOH 359 1359 1000 HOH HOH A . H 6 HOH 360 1360 1010 HOH HOH A . H 6 HOH 361 1361 1097 HOH HOH A . H 6 HOH 362 1362 1026 HOH HOH A . H 6 HOH 363 1363 1063 HOH HOH A . H 6 HOH 364 1364 1161 HOH HOH A . H 6 HOH 365 1365 957 HOH HOH A . H 6 HOH 366 1366 1019 HOH HOH A . H 6 HOH 367 1367 1070 HOH HOH A . H 6 HOH 368 1368 1147 HOH HOH A . H 6 HOH 369 1369 1139 HOH HOH A . H 6 HOH 370 1370 1045 HOH HOH A . H 6 HOH 371 1371 1172 HOH HOH A . H 6 HOH 372 1372 1028 HOH HOH A . H 6 HOH 373 1373 1167 HOH HOH A . H 6 HOH 374 1374 998 HOH HOH A . H 6 HOH 375 1375 989 HOH HOH A . H 6 HOH 376 1376 967 HOH HOH A . H 6 HOH 377 1377 1037 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1390 ? 1 MORE -119 ? 1 'SSA (A^2)' 10750 ? # _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_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? A TRP 1 ? A TRP 21 ? 1_555 75.2 ? 2 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 109.6 ? 3 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 86.3 ? 4 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 93.5 ? 5 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 167.6 ? 6 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 93.1 ? 7 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 100.8 ? 8 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 81.5 ? 9 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 143.0 ? 10 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 105.9 ? 11 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 85.3 ? 12 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 85.2 ? 13 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 100.5 ? 14 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 174.4 ? 15 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 98.8 ? 16 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 90.3 ? 17 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O2 ? F PO4 . ? A PO4 601 ? 1_555 84.1 ? 18 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O2 ? F PO4 . ? A PO4 601 ? 1_555 101.8 ? 19 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O2 ? F PO4 . ? A PO4 601 ? 1_555 154.3 ? 20 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O2 ? F PO4 . ? A PO4 601 ? 1_555 98.6 ? 21 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 100.5 ? 22 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 137.3 ? 23 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 99.5 ? 24 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 99.3 ? 25 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 119.7 ? 26 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 102.7 ? # 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 2016-12-28 2 'Structure model' 1 1 2017-01-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0131 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 86 ? ? -110.38 -161.38 2 1 THR A 165 ? ? -148.41 -155.45 3 1 THR A 173 ? ? -128.07 -61.66 4 1 TYR A 183 ? ? -143.94 -2.44 5 1 THR A 238 ? ? -135.27 -49.91 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'Ministry of Education, Youth and Sports of the Czech Republic' 'Czech Republic' LG14009 1 ;BIOCEV: Biotechnology and Biomedicine Centre of the Academy of Sciences and Charles University from the European Regional Development Fund ; 'Czech Republic' CZ.1.05/1.1.00/02.0109 2 'European Community' ? 283570/8787 3 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'PHOSPHATE ION' PO4 5 "2'-DEOXYCYTIDINE" DCZ 6 water HOH #