data_5FBC # _entry.id 5FBC # _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 5FBC WWPDB D_1000215603 # 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 ;5FBD CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH PHOSPHATE AND 2'-DEOXYCYTIDINE ; 5FBD 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 5FBC _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 106.97 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5FBC _cell.details ? _cell.formula_units_Z ? _cell.length_a 41.894 _cell.length_a_esd ? _cell.length_b 62.585 _cell.length_b_esd ? _cell.length_c 48.242 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 2 _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 5FBC _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1 21 1' _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 2 ? ? ? ? 4 non-polymer syn ;2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE ; 347.287 1 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 6 water nat water 18.015 268 ? ? ? ? # _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 5FBC _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 AS 'DNA linking' n ;2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE ; ? 'C10 H14 N5 O5 P S' 347.287 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 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 5FBC _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.09 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 41.1 _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 5.5 _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 '0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _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 'MARMOSAIC 225 mm 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 2014-04-16 # _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 0.8945 _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 SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'BESSY BEAMLINE 14.3' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.8945 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 14.3 _diffrn_source.pdbx_synchrotron_site BESSY # _reflns.B_iso_Wilson_estimate 11.1 _reflns.entry_id 5FBC _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.75 _reflns.d_resolution_low 46.14 _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 24085 _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 99.8 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.5 _reflns.pdbx_Rmerge_I_obs 0.101 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 10.7 _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 2.0 _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 99.8 _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 0.663 _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 3.5 _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] -0.48 _refine.aniso_B[2][2] -0.29 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 0.97 _refine.B_iso_max ? _refine.B_iso_mean 15.053 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.972 _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 5FBC _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 46.14 _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 24066 _refine.ls_number_reflns_R_free 1198 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.75 _refine.ls_percent_reflns_R_free 5.0 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.13310 _refine.ls_R_factor_R_free 0.18111 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.13131 _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 0.097 _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 1.881 _refine.overall_SU_ML 0.057 _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 59 _refine_hist.number_atoms_solvent 268 _refine_hist.number_atoms_total 2376 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 46.14 # 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 0.020 2246 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.006 0.020 1974 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.678 1.947 3087 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.068 3.000 4593 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.883 5.000 282 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 38.250 26.075 107 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 12.513 15.000 341 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 15.713 15.000 3 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.113 0.200 351 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.009 0.020 2628 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 493 ? 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' ? 1.055 1.330 1083 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.052 1.325 1082 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.624 1.986 1356 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.628 1.990 1357 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.579 1.518 1163 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.579 1.518 1163 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 2.331 2.223 1724 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.883 12.173 2925 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.478 11.635 2832 ? 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 88 _refine_ls_shell.number_reflns_R_work 1696 _refine_ls_shell.percent_reflns_obs 99.78 _refine_ls_shell.percent_reflns_R_free 4.9 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.324 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.232 _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 5FBC _struct.title ;S1 nuclease from Aspergillus oryzae in complex with 2'-deoxyadenosine-5'-thio-monophosphate (5'dAMP(S)). ; _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 5FBC _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 3 ? G N N 4 ? H N N 5 ? I 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 ? SER A 15 ? GLY A 22 SER A 35 1 ? 14 HELX_P HELX_P2 AA2 ALA A 18 ? GLY A 30 ? ALA A 38 GLY A 50 1 ? 13 HELX_P HELX_P3 AA3 LEU A 37 ? ALA A 41 ? LEU A 57 ALA A 61 5 ? 5 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 ? GLY A 133 ? ASN A 148 GLY A 153 1 ? 6 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 SER A 186 ? TRP A 191 ? SER A 206 TRP A 211 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 ? ? ? ? ? ? ? 2.032 ? disulf2 disulf ? ? A CYS 80 SG ? ? ? 1_555 A CYS 85 SG ? ? A CYS 100 A CYS 105 1_555 ? ? ? ? ? ? ? 2.091 ? metalc1 metalc ? ? A TRP 1 N ? ? ? 1_555 B ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.194 ? metalc2 metalc ? ? A TRP 1 O ? ? ? 1_555 B ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.194 ? metalc3 metalc ? ? A HIS 6 NE2 ? ? ? 1_555 B ZN . ZN ? ? A HIS 26 A ZN 401 1_555 ? ? ? ? ? ? ? 2.059 ? metalc4 metalc ? ? A ASP 45 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 65 A ZN 402 1_555 ? ? ? ? ? ? ? 2.616 ? metalc5 metalc ? ? A HIS 60 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 80 A ZN 402 1_555 ? ? ? ? ? ? ? 2.096 ? covale1 covale one ? A ASN 92 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 112 A NAG 501 1_555 ? ? ? ? ? ? ? 1.429 ? metalc6 metalc ? ? A HIS 115 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 135 A ZN 402 1_555 ? ? ? ? ? ? ? 2.045 ? metalc7 metalc ? ? A ASP 119 OD1 ? ? ? 1_555 B ZN . ZN ? ? A ASP 139 A ZN 401 1_555 ? ? ? ? ? ? ? 2.123 ? metalc8 metalc ? ? A ASP 119 OD2 ? ? ? 1_555 C ZN . ZN ? ? A ASP 139 A ZN 402 1_555 ? ? ? ? ? ? ? 2.089 ? metalc9 metalc ? ? A HIS 125 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 145 A ZN 403 1_555 ? ? ? ? ? ? ? 2.070 ? metalc10 metalc ? ? A HIS 148 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 168 A ZN 403 1_555 ? ? ? ? ? ? ? 2.060 ? metalc11 metalc ? ? A ASP 152 OD2 ? ? ? 1_555 D ZN . ZN ? ? A ASP 172 A ZN 403 1_555 ? ? ? ? ? ? ? 2.003 ? covale2 covale one ? A ASN 228 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 248 A NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? metalc12 metalc ? ? B ZN . ZN ? ? ? 1_555 I HOH . O ? ? A ZN 401 A HOH 1112 1_555 ? ? ? ? ? ? ? 2.639 ? metalc13 metalc ? ? B ZN . ZN ? ? ? 1_555 I HOH . O ? ? A ZN 401 A HOH 1148 1_555 ? ? ? ? ? ? ? 1.916 ? metalc14 metalc ? ? C ZN . ZN ? ? ? 1_555 I HOH . O ? ? A ZN 402 A HOH 1148 1_555 ? ? ? ? ? ? ? 1.894 ? metalc15 metalc ? ? D ZN . ZN ? ? ? 1_555 G AS . S2P ? ? A ZN 403 A AS 601 1_555 ? ? ? ? ? ? ? 2.255 ? metalc16 metalc ? ? D ZN . ZN ? ? ? 1_555 I HOH . O ? ? A ZN 403 A HOH 803 1_555 ? ? ? ? ? ? ? 1.921 ? metalc17 metalc ? ? D ZN . ZN ? ? ? 1_555 I HOH . O ? ? A ZN 403 A HOH 1112 1_555 ? ? ? ? ? ? ? 2.385 ? # 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 4.95 # _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 ? 6 '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 ? 6 'binding site for residue ZN A 403' AC4 Software A AS 601 ? 17 'binding site for residue AS A 601' AC5 Software A GOL 701 ? 8 'binding site for residue GOL A 701' AC6 Software A NAG 501 ? 9 'binding site for Mono-Saccharide NAG A 501 bound to ASN A 112' AC7 Software A NAG 502 ? 11 'binding site for Mono-Saccharide NAG A 502 bound to ASN A 248' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 TRP A 1 ? TRP A 21 . ? 1_555 ? 2 AC1 6 HIS A 6 ? HIS A 26 . ? 1_555 ? 3 AC1 6 ASP A 119 ? ASP A 139 . ? 1_555 ? 4 AC1 6 ZN C . ? ZN A 402 . ? 1_555 ? 5 AC1 6 HOH I . ? HOH A 1112 . ? 1_555 ? 6 AC1 6 HOH I . ? HOH A 1148 . ? 1_555 ? 7 AC2 6 ASP A 45 ? ASP A 65 . ? 1_555 ? 8 AC2 6 HIS A 60 ? HIS A 80 . ? 1_555 ? 9 AC2 6 HIS A 115 ? HIS A 135 . ? 1_555 ? 10 AC2 6 ASP A 119 ? ASP A 139 . ? 1_555 ? 11 AC2 6 ZN B . ? ZN A 401 . ? 1_555 ? 12 AC2 6 HOH I . ? HOH A 1148 . ? 1_555 ? 13 AC3 6 HIS A 125 ? HIS A 145 . ? 1_555 ? 14 AC3 6 HIS A 148 ? HIS A 168 . ? 1_555 ? 15 AC3 6 ASP A 152 ? ASP A 172 . ? 1_555 ? 16 AC3 6 AS G . ? AS A 601 . ? 1_555 ? 17 AC3 6 HOH I . ? HOH A 803 . ? 1_555 ? 18 AC3 6 HOH I . ? HOH A 1112 . ? 1_555 ? 19 AC4 17 LYS A 48 ? LYS A 68 . ? 1_555 ? 20 AC4 17 TYR A 49 ? TYR A 69 . ? 1_555 ? 21 AC4 17 PHE A 61 ? PHE A 81 . ? 1_555 ? 22 AC4 17 ASP A 63 ? ASP A 83 . ? 1_555 ? 23 AC4 17 LEU A 124 ? LEU A 144 . ? 1_555 ? 24 AC4 17 HIS A 125 ? HIS A 145 . ? 1_555 ? 25 AC4 17 GLU A 127 ? GLU A 147 . ? 1_555 ? 26 AC4 17 ALA A 131 ? ALA A 151 . ? 1_555 ? 27 AC4 17 GLY A 132 ? GLY A 152 . ? 1_555 ? 28 AC4 17 ASN A 134 ? ASN A 154 . ? 1_555 ? 29 AC4 17 HIS A 148 ? HIS A 168 . ? 1_555 ? 30 AC4 17 ASP A 152 ? ASP A 172 . ? 1_555 ? 31 AC4 17 ZN D . ? ZN A 403 . ? 1_555 ? 32 AC4 17 HOH I . ? HOH A 803 . ? 1_555 ? 33 AC4 17 HOH I . ? HOH A 1068 . ? 1_555 ? 34 AC4 17 HOH I . ? HOH A 1112 . ? 1_555 ? 35 AC4 17 HOH I . ? HOH A 1188 . ? 1_555 ? 36 AC5 8 PHE A 24 ? PHE A 44 . ? 1_555 ? 37 AC5 8 ASN A 27 ? ASN A 47 . ? 1_555 ? 38 AC5 8 ILE A 28 ? ILE A 48 . ? 1_555 ? 39 AC5 8 PRO A 101 ? PRO A 121 . ? 1_555 ? 40 AC5 8 ASN A 102 ? ASN A 122 . ? 1_555 ? 41 AC5 8 ALA A 225 ? ALA A 245 . ? 1_656 ? 42 AC5 8 ASN A 228 ? ASN A 248 . ? 1_656 ? 43 AC5 8 NAG F . ? NAG A 502 . ? 1_656 ? 44 AC6 9 ASN A 92 ? ASN A 112 . ? 1_555 ? 45 AC6 9 ILE A 96 ? ILE A 116 . ? 1_555 ? 46 AC6 9 GLU A 99 ? GLU A 119 . ? 1_555 ? 47 AC6 9 GLU A 235 ? GLU A 255 . ? 1_556 ? 48 AC6 9 ASP A 238 ? ASP A 258 . ? 1_556 ? 49 AC6 9 HOH I . ? HOH A 1021 . ? 1_555 ? 50 AC6 9 HOH I . ? HOH A 1074 . ? 1_555 ? 51 AC6 9 HOH I . ? HOH A 1149 . ? 1_556 ? 52 AC6 9 HOH I . ? HOH A 1167 . ? 1_555 ? 53 AC7 11 ASN A 102 ? ASN A 122 . ? 1_454 ? 54 AC7 11 GLU A 130 ? GLU A 150 . ? 1_555 ? 55 AC7 11 GLY A 135 ? GLY A 155 . ? 1_555 ? 56 AC7 11 ILE A 136 ? ILE A 156 . ? 1_555 ? 57 AC7 11 ALA A 225 ? ALA A 245 . ? 1_555 ? 58 AC7 11 ASN A 228 ? ASN A 248 . ? 1_555 ? 59 AC7 11 GOL H . ? GOL A 701 . ? 1_454 ? 60 AC7 11 HOH I . ? HOH A 1032 . ? 1_555 ? 61 AC7 11 HOH I . ? HOH A 1056 . ? 1_555 ? 62 AC7 11 HOH I . ? HOH A 1102 . ? 1_555 ? 63 AC7 11 HOH I . ? HOH A 1168 . ? 1_555 ? # _atom_sites.entry_id 5FBC _atom_sites.fract_transf_matrix[1][1] 0.023870 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007284 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015978 _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] 0.021672 _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 ? -4.858 -4.433 18.568 1.00 9.95 ? 21 TRP A N 1 ATOM 2 C CA . TRP A 1 1 ? -3.924 -5.247 17.742 1.00 9.39 ? 21 TRP A CA 1 ATOM 3 C C . TRP A 1 1 ? -4.117 -6.696 18.110 1.00 9.21 ? 21 TRP A C 1 ATOM 4 O O . TRP A 1 1 ? -4.636 -7.046 19.189 1.00 9.14 ? 21 TRP A O 1 ATOM 5 C CB . TRP A 1 1 ? -2.479 -4.853 18.001 1.00 9.52 ? 21 TRP A CB 1 ATOM 6 C CG . TRP A 1 1 ? -2.225 -3.349 17.827 1.00 9.64 ? 21 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 1 ? -2.086 -2.408 18.847 1.00 10.18 ? 21 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 1 ? -2.138 -2.617 16.601 1.00 9.48 ? 21 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 1 ? -1.880 -1.155 18.317 1.00 9.63 ? 21 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 1 ? -1.918 -1.251 16.945 1.00 9.75 ? 21 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 1 ? -2.202 -2.974 15.242 1.00 9.74 ? 21 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 1 ? -1.800 -0.238 15.972 1.00 9.61 ? 21 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 1 ? -2.066 -1.911 14.244 1.00 10.27 ? 21 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 1 ? -1.883 -0.576 14.652 1.00 10.07 ? 21 TRP A CH2 1 ATOM 15 N N . GLY A 1 2 ? -3.585 -7.529 17.241 1.00 9.32 ? 22 GLY A N 1 ATOM 16 C CA . GLY A 1 2 ? -3.400 -8.908 17.512 1.00 9.91 ? 22 GLY A CA 1 ATOM 17 C C . GLY A 1 2 ? -2.086 -9.074 18.254 1.00 10.37 ? 22 GLY A C 1 ATOM 18 O O . GLY A 1 2 ? -1.432 -8.082 18.682 1.00 9.68 ? 22 GLY A O 1 ATOM 19 N N . ASN A 1 3 ? -1.694 -10.309 18.413 1.00 10.37 ? 23 ASN A N 1 ATOM 20 C CA . ASN A 1 3 ? -0.571 -10.604 19.350 1.00 11.40 ? 23 ASN A CA 1 ATOM 21 C C . ASN A 1 3 ? 0.772 -9.983 18.916 1.00 10.77 ? 23 ASN A C 1 ATOM 22 O O . ASN A 1 3 ? 1.549 -9.431 19.748 1.00 10.30 ? 23 ASN A O 1 ATOM 23 C CB . ASN A 1 3 ? -0.385 -12.120 19.536 1.00 12.35 ? 23 ASN A CB 1 ATOM 24 C CG . ASN A 1 3 ? -1.548 -12.787 20.267 1.00 15.70 ? 23 ASN A CG 1 ATOM 25 O OD1 . ASN A 1 3 ? -2.396 -12.165 20.912 1.00 15.61 ? 23 ASN A OD1 1 ATOM 26 N ND2 . ASN A 1 3 ? -1.586 -14.090 20.159 1.00 21.49 ? 23 ASN A ND2 1 ATOM 27 N N . LEU A 1 4 ? 1.068 -10.097 17.623 1.00 10.94 ? 24 LEU A N 1 ATOM 28 C CA . LEU A 1 4 ? 2.314 -9.555 17.105 1.00 10.98 ? 24 LEU A CA 1 ATOM 29 C C . LEU A 1 4 ? 2.382 -8.006 17.408 1.00 10.85 ? 24 LEU A C 1 ATOM 30 O O . LEU A 1 4 ? 3.385 -7.485 17.928 1.00 10.90 ? 24 LEU A O 1 ATOM 31 C CB . LEU A 1 4 ? 2.428 -9.881 15.616 1.00 11.71 ? 24 LEU A CB 1 ATOM 32 C CG . LEU A 1 4 ? 3.514 -9.271 14.739 1.00 13.70 ? 24 LEU A CG 1 ATOM 33 C CD1 . LEU A 1 4 ? 3.370 -7.794 14.426 1.00 13.43 ? 24 LEU A CD1 1 ATOM 34 C CD2 . LEU A 1 4 ? 4.883 -9.603 15.278 1.00 14.42 ? 24 LEU A CD2 1 ATOM 35 N N . GLY A 1 5 ? 1.308 -7.290 17.089 1.00 10.24 ? 25 GLY A N 1 ATOM 36 C CA . GLY A 1 5 ? 1.278 -5.855 17.338 1.00 10.35 ? 25 GLY A CA 1 ATOM 37 C C . GLY A 1 5 ? 1.581 -5.551 18.824 1.00 9.89 ? 25 GLY A C 1 ATOM 38 O O . GLY A 1 5 ? 2.356 -4.649 19.142 1.00 9.17 ? 25 GLY A O 1 ATOM 39 N N . HIS A 1 6 ? 0.894 -6.255 19.722 1.00 9.77 ? 26 HIS A N 1 ATOM 40 C CA . HIS A 1 6 ? 1.064 -6.017 21.161 1.00 9.55 ? 26 HIS A CA 1 ATOM 41 C C . HIS A 1 6 ? 2.476 -6.296 21.603 1.00 10.10 ? 26 HIS A C 1 ATOM 42 O O . HIS A 1 6 ? 3.034 -5.559 22.411 1.00 9.95 ? 26 HIS A O 1 ATOM 43 C CB . HIS A 1 6 ? 0.079 -6.799 21.988 1.00 9.38 ? 26 HIS A CB 1 ATOM 44 C CG . HIS A 1 6 ? -1.261 -6.193 21.947 1.00 9.47 ? 26 HIS A CG 1 ATOM 45 N ND1 . HIS A 1 6 ? -1.541 -4.991 22.567 1.00 9.06 ? 26 HIS A ND1 1 ATOM 46 C CD2 . HIS A 1 6 ? -2.359 -6.509 21.222 1.00 9.55 ? 26 HIS A CD2 1 ATOM 47 C CE1 . HIS A 1 6 ? -2.776 -4.629 22.288 1.00 8.89 ? 26 HIS A CE1 1 ATOM 48 N NE2 . HIS A 1 6 ? -3.288 -5.517 21.465 1.00 9.14 ? 26 HIS A NE2 1 ATOM 49 N N . GLU A 1 7 ? 3.046 -7.389 21.115 1.00 10.11 ? 27 GLU A N 1 ATOM 50 C CA . GLU A 1 7 ? 4.380 -7.753 21.510 1.00 10.50 ? 27 GLU A CA 1 ATOM 51 C C . GLU A 1 7 ? 5.389 -6.725 20.992 1.00 10.05 ? 27 GLU A C 1 ATOM 52 O O . GLU A 1 7 ? 6.328 -6.360 21.696 1.00 9.47 ? 27 GLU A O 1 ATOM 53 C CB . GLU A 1 7 ? 4.736 -9.154 20.992 1.00 11.22 ? 27 GLU A CB 1 ATOM 54 C CG . GLU A 1 7 ? 3.890 -10.209 21.678 1.00 11.10 ? 27 GLU A CG 1 ATOM 55 C CD . GLU A 1 7 ? 3.867 -11.535 20.956 1.00 12.68 ? 27 GLU A CD 1 ATOM 56 O OE1 . GLU A 1 7 ? 4.367 -11.653 19.795 1.00 12.13 ? 27 GLU A OE1 1 ATOM 57 O OE2 . GLU A 1 7 ? 3.263 -12.416 21.599 1.00 15.00 ? 27 GLU A OE2 1 ATOM 58 N N . THR A 1 8 ? 5.173 -6.264 19.756 1.00 9.41 ? 28 THR A N 1 ATOM 59 C CA . THR A 1 8 ? 6.054 -5.240 19.173 1.00 9.64 ? 28 THR A CA 1 ATOM 60 C C . THR A 1 8 ? 6.056 -3.937 20.008 1.00 9.26 ? 28 THR A C 1 ATOM 61 O O . THR A 1 8 ? 7.112 -3.397 20.340 1.00 9.18 ? 28 THR A O 1 ATOM 62 C CB . THR A 1 8 ? 5.659 -4.940 17.695 1.00 10.12 ? 28 THR A CB 1 ATOM 63 O OG1 . THR A 1 8 ? 5.700 -6.167 16.957 1.00 9.83 ? 28 THR A OG1 1 ATOM 64 C CG2 . THR A 1 8 ? 6.548 -3.941 17.083 1.00 9.92 ? 28 THR A CG2 1 ATOM 65 N N . VAL A 1 9 ? 4.859 -3.471 20.367 1.00 8.57 ? 29 VAL A N 1 ATOM 66 C CA . VAL A 1 9 ? 4.701 -2.299 21.186 1.00 8.85 ? 29 VAL A CA 1 ATOM 67 C C . VAL A 1 9 ? 5.484 -2.469 22.514 1.00 9.11 ? 29 VAL A C 1 ATOM 68 O O . VAL A 1 9 ? 6.214 -1.563 22.924 1.00 9.74 ? 29 VAL A O 1 ATOM 69 C CB . VAL A 1 9 ? 3.207 -2.105 21.486 1.00 8.87 ? 29 VAL A CB 1 ATOM 70 C CG1 . VAL A 1 9 ? 2.949 -1.171 22.655 1.00 9.17 ? 29 VAL A CG1 1 ATOM 71 C CG2 . VAL A 1 9 ? 2.505 -1.631 20.223 1.00 8.51 ? 29 VAL A CG2 1 ATOM 72 N N . ALA A 1 10 ? 5.298 -3.633 23.143 1.00 9.24 ? 30 ALA A N 1 ATOM 73 C CA . ALA A 1 10 ? 5.964 -3.958 24.382 1.00 9.64 ? 30 ALA A CA 1 ATOM 74 C C . ALA A 1 10 ? 7.504 -3.960 24.249 1.00 10.21 ? 30 ALA A C 1 ATOM 75 O O . ALA A 1 10 ? 8.201 -3.434 25.121 1.00 9.93 ? 30 ALA A O 1 ATOM 76 C CB . ALA A 1 10 ? 5.478 -5.277 24.918 1.00 10.15 ? 30 ALA A CB 1 ATOM 77 N N . TYR A 1 11 ? 8.039 -4.549 23.193 1.00 9.80 ? 31 TYR A N 1 ATOM 78 C CA . TYR A 1 11 ? 9.498 -4.571 23.033 1.00 10.28 ? 31 TYR A CA 1 ATOM 79 C C . TYR A 1 11 ? 10.042 -3.158 22.795 1.00 10.24 ? 31 TYR A C 1 ATOM 80 O O . TYR A 1 11 ? 11.141 -2.793 23.275 1.00 10.84 ? 31 TYR A O 1 ATOM 81 C CB . TYR A 1 11 ? 9.895 -5.486 21.912 1.00 10.74 ? 31 TYR A CB 1 ATOM 82 C CG . TYR A 1 11 ? 9.992 -6.955 22.245 1.00 11.07 ? 31 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 11 ? 10.851 -7.408 23.263 1.00 11.66 ? 31 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 11 ? 9.353 -7.905 21.456 1.00 11.53 ? 31 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 11 ? 11.036 -8.764 23.527 1.00 12.06 ? 31 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 11 ? 9.555 -9.259 21.678 1.00 12.74 ? 31 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 11 ? 10.390 -9.691 22.706 1.00 12.68 ? 31 TYR A CZ 1 ATOM 88 O OH . TYR A 1 11 ? 10.531 -11.040 22.932 1.00 14.02 ? 31 TYR A OH 1 ATOM 89 N N . ILE A 1 12 ? 9.281 -2.351 22.045 1.00 10.61 ? 32 ILE A N 1 ATOM 90 C CA . ILE A 1 12 ? 9.673 -0.951 21.842 1.00 10.46 ? 32 ILE A CA 1 ATOM 91 C C . ILE A 1 12 ? 9.756 -0.274 23.179 1.00 10.26 ? 32 ILE A C 1 ATOM 92 O O . ILE A 1 12 ? 10.762 0.350 23.434 1.00 11.00 ? 32 ILE A O 1 ATOM 93 C CB . ILE A 1 12 ? 8.753 -0.206 20.867 1.00 10.18 ? 32 ILE A CB 1 ATOM 94 C CG1 . ILE A 1 12 ? 8.882 -0.782 19.454 1.00 9.79 ? 32 ILE A CG1 1 ATOM 95 C CG2 . ILE A 1 12 ? 8.996 1.286 20.875 1.00 9.12 ? 32 ILE A CG2 1 ATOM 96 C CD1 . ILE A 1 12 ? 7.752 -0.375 18.543 1.00 10.23 ? 32 ILE A CD1 1 ATOM 97 N N . ALA A 1 13 ? 8.727 -0.399 24.029 1.00 10.10 ? 33 ALA A N 1 ATOM 98 C CA . ALA A 1 13 ? 8.756 0.243 25.363 1.00 10.11 ? 33 ALA A CA 1 ATOM 99 C C . ALA A 1 13 ? 10.024 -0.226 26.173 1.00 11.00 ? 33 ALA A C 1 ATOM 100 O O . ALA A 1 13 ? 10.715 0.590 26.811 1.00 11.62 ? 33 ALA A O 1 ATOM 101 C CB . ALA A 1 13 ? 7.482 -0.082 26.119 1.00 9.06 ? 33 ALA A CB 1 ATOM 102 N N . GLN A 1 14 ? 10.314 -1.525 26.142 1.00 10.62 ? 34 GLN A N 1 ATOM 103 C CA . GLN A 1 14 ? 11.480 -2.065 26.847 1.00 11.30 ? 34 GLN A CA 1 ATOM 104 C C . GLN A 1 14 ? 12.750 -1.349 26.414 1.00 11.83 ? 34 GLN A C 1 ATOM 105 O O . GLN A 1 14 ? 13.666 -1.182 27.227 1.00 11.37 ? 34 GLN A O 1 ATOM 106 C CB . GLN A 1 14 ? 11.670 -3.587 26.625 1.00 11.07 ? 34 GLN A CB 1 ATOM 107 C CG . GLN A 1 14 ? 10.587 -4.476 27.237 1.00 11.59 ? 34 GLN A CG 1 ATOM 108 C CD . GLN A 1 14 ? 10.781 -5.950 27.016 1.00 11.28 ? 34 GLN A CD 1 ATOM 109 O OE1 . GLN A 1 14 ? 9.835 -6.695 27.138 1.00 12.21 ? 34 GLN A OE1 1 ATOM 110 N NE2 . GLN A 1 14 ? 11.986 -6.381 26.616 1.00 12.10 ? 34 GLN A NE2 1 ATOM 111 N N . SER A 1 15 ? 12.837 -0.935 25.156 1.00 12.71 ? 35 SER A N 1 ATOM 112 C CA . SER A 1 15 ? 14.056 -0.216 24.636 1.00 13.72 ? 35 SER A CA 1 ATOM 113 C C . SER A 1 15 ? 14.201 1.184 25.129 1.00 14.02 ? 35 SER A C 1 ATOM 114 O O . SER A 1 15 ? 15.252 1.784 24.936 1.00 15.39 ? 35 SER A O 1 ATOM 115 C CB . SER A 1 15 ? 14.095 -0.230 23.109 1.00 14.74 ? 35 SER A CB 1 ATOM 116 O OG . SER A 1 15 ? 14.139 -1.580 22.703 1.00 16.44 ? 35 SER A OG 1 ATOM 117 N N . PHE A 1 16 ? 13.132 1.763 25.690 1.00 14.33 ? 36 PHE A N 1 ATOM 118 C CA . PHE A 1 16 ? 13.146 3.174 26.107 1.00 13.51 ? 36 PHE A CA 1 ATOM 119 C C . PHE A 1 16 ? 13.016 3.397 27.582 1.00 13.52 ? 36 PHE A C 1 ATOM 120 O O . PHE A 1 16 ? 13.321 4.489 28.039 1.00 13.97 ? 36 PHE A O 1 ATOM 121 C CB . PHE A 1 16 ? 12.125 4.060 25.350 1.00 13.32 ? 36 PHE A CB 1 ATOM 122 C CG . PHE A 1 16 ? 12.474 4.208 23.899 1.00 12.76 ? 36 PHE A CG 1 ATOM 123 C CD1 . PHE A 1 16 ? 13.452 5.138 23.480 1.00 12.96 ? 36 PHE A CD1 1 ATOM 124 C CD2 . PHE A 1 16 ? 11.856 3.407 22.935 1.00 12.53 ? 36 PHE A CD2 1 ATOM 125 C CE1 . PHE A 1 16 ? 13.754 5.268 22.149 1.00 13.31 ? 36 PHE A CE1 1 ATOM 126 C CE2 . PHE A 1 16 ? 12.201 3.512 21.625 1.00 12.38 ? 36 PHE A CE2 1 ATOM 127 C CZ . PHE A 1 16 ? 13.163 4.421 21.225 1.00 12.96 ? 36 PHE A CZ 1 ATOM 128 N N . VAL A 1 17 ? 12.585 2.403 28.340 1.00 12.58 ? 37 VAL A N 1 ATOM 129 C CA . VAL A 1 17 ? 12.399 2.652 29.793 1.00 12.61 ? 37 VAL A CA 1 ATOM 130 C C . VAL A 1 17 ? 13.769 2.712 30.495 1.00 12.39 ? 37 VAL A C 1 ATOM 131 O O . VAL A 1 17 ? 14.745 2.136 30.060 1.00 13.29 ? 37 VAL A O 1 ATOM 132 C CB . VAL A 1 17 ? 11.520 1.591 30.493 1.00 11.78 ? 37 VAL A CB 1 ATOM 133 C CG1 . VAL A 1 17 ? 10.094 1.705 29.999 1.00 11.96 ? 37 VAL A CG1 1 ATOM 134 C CG2 . VAL A 1 17 ? 12.069 0.176 30.312 1.00 11.04 ? 37 VAL A CG2 1 ATOM 135 N N . ALA A 1 18 ? 13.780 3.374 31.606 1.00 13.30 ? 38 ALA A N 1 ATOM 136 C CA . ALA A 1 18 ? 14.953 3.465 32.510 1.00 14.88 ? 38 ALA A CA 1 ATOM 137 C C . ALA A 1 18 ? 15.189 2.106 33.181 1.00 14.62 ? 38 ALA A C 1 ATOM 138 O O . ALA A 1 18 ? 14.268 1.322 33.305 1.00 14.13 ? 38 ALA A O 1 ATOM 139 C CB . ALA A 1 18 ? 14.689 4.536 33.556 1.00 14.61 ? 38 ALA A CB 1 ATOM 140 N N . SER A 1 19 ? 16.425 1.838 33.612 1.00 15.80 ? 39 SER A N 1 ATOM 141 C CA . SER A 1 19 ? 16.735 0.563 34.303 1.00 17.58 ? 39 SER A CA 1 ATOM 142 C C . SER A 1 19 ? 15.867 0.347 35.540 1.00 15.29 ? 39 SER A C 1 ATOM 143 O O . SER A 1 19 ? 15.468 -0.759 35.788 1.00 14.76 ? 39 SER A O 1 ATOM 144 C CB A SER A 1 19 ? 18.207 0.456 34.697 0.50 18.24 ? 39 SER A CB 1 ATOM 145 C CB B SER A 1 19 ? 18.216 0.536 34.730 0.50 19.41 ? 39 SER A CB 1 ATOM 146 O OG A SER A 1 19 ? 18.606 1.665 35.249 0.50 18.60 ? 39 SER A OG 1 ATOM 147 O OG B SER A 1 19 ? 19.056 0.596 33.588 0.50 22.72 ? 39 SER A OG 1 ATOM 148 N N . SER A 1 20 ? 15.595 1.400 36.291 1.00 16.99 ? 40 SER A N 1 ATOM 149 C CA . SER A 1 20 ? 14.800 1.286 37.516 1.00 17.71 ? 40 SER A CA 1 ATOM 150 C C . SER A 1 20 ? 13.318 0.959 37.184 1.00 16.61 ? 40 SER A C 1 ATOM 151 O O . SER A 1 20 ? 12.594 0.348 37.950 1.00 16.04 ? 40 SER A O 1 ATOM 152 C CB . SER A 1 20 ? 14.976 2.532 38.356 1.00 18.69 ? 40 SER A CB 1 ATOM 153 O OG . SER A 1 20 ? 14.593 3.718 37.650 1.00 21.71 ? 40 SER A OG 1 ATOM 154 N N . THR A 1 21 ? 12.879 1.429 36.018 1.00 15.69 ? 41 THR A N 1 ATOM 155 C CA . THR A 1 21 ? 11.547 1.095 35.511 1.00 14.62 ? 41 THR A CA 1 ATOM 156 C C . THR A 1 21 ? 11.496 -0.362 35.087 1.00 12.75 ? 41 THR A C 1 ATOM 157 O O . THR A 1 21 ? 10.550 -1.068 35.395 1.00 13.25 ? 41 THR A O 1 ATOM 158 C CB . THR A 1 21 ? 11.224 2.021 34.317 1.00 13.76 ? 41 THR A CB 1 ATOM 159 O OG1 . THR A 1 21 ? 11.270 3.396 34.749 1.00 13.95 ? 41 THR A OG1 1 ATOM 160 C CG2 . THR A 1 21 ? 9.847 1.704 33.730 1.00 13.30 ? 41 THR A CG2 1 ATOM 161 N N . GLU A 1 22 ? 12.545 -0.803 34.416 1.00 12.61 ? 42 GLU A N 1 ATOM 162 C CA . GLU A 1 22 ? 12.678 -2.182 34.063 1.00 14.46 ? 42 GLU A CA 1 ATOM 163 C C . GLU A 1 22 ? 12.533 -3.069 35.337 1.00 13.99 ? 42 GLU A C 1 ATOM 164 O O . GLU A 1 22 ? 11.723 -4.008 35.368 1.00 12.15 ? 42 GLU A O 1 ATOM 165 C CB A GLU A 1 22 ? 14.017 -2.424 33.362 0.50 14.39 ? 42 GLU A CB 1 ATOM 166 C CB B GLU A 1 22 ? 14.020 -2.458 33.367 0.50 15.08 ? 42 GLU A CB 1 ATOM 167 C CG A GLU A 1 22 ? 14.312 -3.879 33.116 0.50 14.99 ? 42 GLU A CG 1 ATOM 168 C CG B GLU A 1 22 ? 14.271 -3.927 33.067 0.50 16.20 ? 42 GLU A CG 1 ATOM 169 C CD A GLU A 1 22 ? 15.515 -4.091 32.208 0.50 16.51 ? 42 GLU A CD 1 ATOM 170 C CD B GLU A 1 22 ? 15.549 -4.153 32.256 0.50 18.41 ? 42 GLU A CD 1 ATOM 171 O OE1 A GLU A 1 22 ? 15.842 -3.208 31.368 0.50 16.90 ? 42 GLU A OE1 1 ATOM 172 O OE1 B GLU A 1 22 ? 16.638 -3.830 32.766 0.50 17.99 ? 42 GLU A OE1 1 ATOM 173 O OE2 A GLU A 1 22 ? 16.113 -5.168 32.335 0.50 16.21 ? 42 GLU A OE2 1 ATOM 174 O OE2 B GLU A 1 22 ? 15.465 -4.649 31.106 0.50 20.89 ? 42 GLU A OE2 1 ATOM 175 N N . SER A 1 23 ? 13.315 -2.761 36.371 1.00 15.14 ? 43 SER A N 1 ATOM 176 C CA . SER A 1 23 ? 13.241 -3.535 37.643 1.00 15.14 ? 43 SER A CA 1 ATOM 177 C C . SER A 1 23 ? 11.865 -3.467 38.286 1.00 13.19 ? 43 SER A C 1 ATOM 178 O O . SER A 1 23 ? 11.286 -4.493 38.693 1.00 13.84 ? 43 SER A O 1 ATOM 179 C CB . SER A 1 23 ? 14.277 -2.963 38.649 1.00 16.54 ? 43 SER A CB 1 ATOM 180 O OG . SER A 1 23 ? 15.581 -3.146 38.093 1.00 18.42 ? 43 SER A OG 1 ATOM 181 N N . PHE A 1 24 ? 11.325 -2.254 38.331 1.00 12.87 ? 44 PHE A N 1 ATOM 182 C CA . PHE A 1 24 ? 9.986 -2.037 38.854 1.00 12.21 ? 44 PHE A CA 1 ATOM 183 C C . PHE A 1 24 ? 8.987 -3.000 38.180 1.00 13.02 ? 44 PHE A C 1 ATOM 184 O O . PHE A 1 24 ? 8.204 -3.685 38.881 1.00 12.26 ? 44 PHE A O 1 ATOM 185 C CB . PHE A 1 24 ? 9.602 -0.614 38.643 1.00 13.47 ? 44 PHE A CB 1 ATOM 186 C CG . PHE A 1 24 ? 8.180 -0.260 39.036 1.00 13.39 ? 44 PHE A CG 1 ATOM 187 C CD1 . PHE A 1 24 ? 7.127 -0.352 38.127 1.00 13.33 ? 44 PHE A CD1 1 ATOM 188 C CD2 . PHE A 1 24 ? 7.902 0.241 40.311 1.00 15.91 ? 44 PHE A CD2 1 ATOM 189 C CE1 . PHE A 1 24 ? 5.838 0.032 38.492 1.00 13.83 ? 44 PHE A CE1 1 ATOM 190 C CE2 . PHE A 1 24 ? 6.606 0.623 40.672 1.00 15.15 ? 44 PHE A CE2 1 ATOM 191 C CZ . PHE A 1 24 ? 5.577 0.533 39.757 1.00 14.10 ? 44 PHE A CZ 1 ATOM 192 N N . CYS A 1 25 ? 9.050 -3.096 36.835 1.00 12.41 ? 45 CYS A N 1 ATOM 193 C CA . CYS A 1 25 ? 8.108 -3.965 36.088 1.00 12.19 ? 45 CYS A CA 1 ATOM 194 C C . CYS A 1 25 ? 8.427 -5.457 36.248 1.00 11.88 ? 45 CYS A C 1 ATOM 195 O O . CYS A 1 25 ? 7.537 -6.288 36.468 1.00 11.03 ? 45 CYS A O 1 ATOM 196 C CB . CYS A 1 25 ? 8.045 -3.586 34.590 1.00 11.54 ? 45 CYS A CB 1 ATOM 197 S SG . CYS A 1 25 ? 7.422 -1.921 34.311 1.00 12.64 ? 45 CYS A SG 1 ATOM 198 N N . GLN A 1 26 ? 9.702 -5.807 36.136 1.00 12.43 ? 46 GLN A N 1 ATOM 199 C CA . GLN A 1 26 ? 10.082 -7.191 36.263 1.00 13.63 ? 46 GLN A CA 1 ATOM 200 C C . GLN A 1 26 ? 9.670 -7.764 37.640 1.00 13.83 ? 46 GLN A C 1 ATOM 201 O O . GLN A 1 26 ? 9.203 -8.897 37.710 1.00 13.99 ? 46 GLN A O 1 ATOM 202 C CB . GLN A 1 26 ? 11.577 -7.326 36.070 1.00 14.61 ? 46 GLN A CB 1 ATOM 203 C CG . GLN A 1 26 ? 12.006 -7.121 34.634 1.00 15.44 ? 46 GLN A CG 1 ATOM 204 C CD . GLN A 1 26 ? 13.516 -7.296 34.437 1.00 18.55 ? 46 GLN A CD 1 ATOM 205 O OE1 . GLN A 1 26 ? 14.330 -6.917 35.301 1.00 16.76 ? 46 GLN A OE1 1 ATOM 206 N NE2 . GLN A 1 26 ? 13.889 -7.826 33.277 1.00 18.47 ? 46 GLN A NE2 1 ATOM 207 N N . ASN A 1 27 ? 9.824 -6.971 38.703 1.00 13.40 ? 47 ASN A N 1 ATOM 208 C CA . ASN A 1 27 ? 9.463 -7.399 40.058 1.00 13.72 ? 47 ASN A CA 1 ATOM 209 C C . ASN A 1 27 ? 7.933 -7.611 40.217 1.00 13.84 ? 47 ASN A C 1 ATOM 210 O O . ASN A 1 27 ? 7.519 -8.643 40.754 1.00 14.22 ? 47 ASN A O 1 ATOM 211 C CB . ASN A 1 27 ? 9.982 -6.393 41.068 1.00 14.17 ? 47 ASN A CB 1 ATOM 212 C CG . ASN A 1 27 ? 9.685 -6.791 42.517 1.00 14.99 ? 47 ASN A CG 1 ATOM 213 O OD1 . ASN A 1 27 ? 9.000 -6.078 43.279 1.00 17.25 ? 47 ASN A OD1 1 ATOM 214 N ND2 . ASN A 1 27 ? 10.227 -7.898 42.897 1.00 14.78 ? 47 ASN A ND2 1 ATOM 215 N N . ILE A 1 28 ? 7.103 -6.733 39.650 1.00 12.63 ? 48 ILE A N 1 ATOM 216 C CA . ILE A 1 28 ? 5.678 -6.922 39.665 1.00 14.15 ? 48 ILE A CA 1 ATOM 217 C C . ILE A 1 28 ? 5.270 -8.157 38.855 1.00 13.85 ? 48 ILE A C 1 ATOM 218 O O . ILE A 1 28 ? 4.411 -8.952 39.272 1.00 13.87 ? 48 ILE A O 1 ATOM 219 C CB . ILE A 1 28 ? 4.931 -5.668 39.130 1.00 14.81 ? 48 ILE A CB 1 ATOM 220 C CG1 . ILE A 1 28 ? 4.987 -4.557 40.155 1.00 15.21 ? 48 ILE A CG1 1 ATOM 221 C CG2 . ILE A 1 28 ? 3.462 -5.976 38.751 1.00 14.65 ? 48 ILE A CG2 1 ATOM 222 C CD1 . ILE A 1 28 ? 4.673 -3.177 39.609 1.00 15.88 ? 48 ILE A CD1 1 ATOM 223 N N . LEU A 1 29 ? 5.881 -8.321 37.691 1.00 14.07 ? 49 LEU A N 1 ATOM 224 C CA . LEU A 1 29 ? 5.525 -9.447 36.825 1.00 14.22 ? 49 LEU A CA 1 ATOM 225 C C . LEU A 1 29 ? 6.125 -10.790 37.283 1.00 15.20 ? 49 LEU A C 1 ATOM 226 O O . LEU A 1 29 ? 5.700 -11.817 36.831 1.00 16.48 ? 49 LEU A O 1 ATOM 227 C CB . LEU A 1 29 ? 5.941 -9.103 35.386 1.00 15.44 ? 49 LEU A CB 1 ATOM 228 C CG . LEU A 1 29 ? 5.327 -7.845 34.752 1.00 14.41 ? 49 LEU A CG 1 ATOM 229 C CD1 . LEU A 1 29 ? 5.904 -7.523 33.393 1.00 14.02 ? 49 LEU A CD1 1 ATOM 230 C CD2 . LEU A 1 29 ? 3.814 -8.026 34.717 1.00 15.94 ? 49 LEU A CD2 1 ATOM 231 N N . GLY A 1 30 ? 7.143 -10.781 38.169 1.00 15.00 ? 50 GLY A N 1 ATOM 232 C CA . GLY A 1 30 ? 7.871 -11.983 38.454 1.00 15.52 ? 50 GLY A CA 1 ATOM 233 C C . GLY A 1 30 ? 8.619 -12.541 37.254 1.00 17.47 ? 50 GLY A C 1 ATOM 234 O O . GLY A 1 30 ? 8.667 -13.762 37.066 1.00 17.25 ? 50 GLY A O 1 ATOM 235 N N . ASP A 1 31 ? 9.161 -11.658 36.412 1.00 16.69 ? 51 ASP A N 1 ATOM 236 C CA . ASP A 1 31 ? 9.760 -12.095 35.118 1.00 18.06 ? 51 ASP A CA 1 ATOM 237 C C . ASP A 1 31 ? 11.015 -11.282 34.981 1.00 16.84 ? 51 ASP A C 1 ATOM 238 O O . ASP A 1 31 ? 10.935 -10.085 34.826 1.00 17.93 ? 51 ASP A O 1 ATOM 239 C CB . ASP A 1 31 ? 8.759 -11.851 33.934 1.00 17.51 ? 51 ASP A CB 1 ATOM 240 C CG . ASP A 1 31 ? 9.296 -12.300 32.563 1.00 18.72 ? 51 ASP A CG 1 ATOM 241 O OD1 . ASP A 1 31 ? 10.541 -12.400 32.363 1.00 18.96 ? 51 ASP A OD1 1 ATOM 242 O OD2 . ASP A 1 31 ? 8.426 -12.480 31.656 1.00 18.79 ? 51 ASP A OD2 1 ATOM 243 N N . ASP A 1 32 ? 12.159 -11.950 35.021 1.00 19.77 ? 52 ASP A N 1 ATOM 244 C CA . ASP A 1 32 ? 13.480 -11.327 34.886 1.00 20.12 ? 52 ASP A CA 1 ATOM 245 C C . ASP A 1 32 ? 14.048 -11.470 33.468 1.00 19.65 ? 52 ASP A C 1 ATOM 246 O O . ASP A 1 32 ? 15.199 -11.179 33.263 1.00 22.82 ? 52 ASP A O 1 ATOM 247 C CB . ASP A 1 32 ? 14.465 -11.926 35.933 1.00 22.75 ? 52 ASP A CB 1 ATOM 248 C CG . ASP A 1 32 ? 14.847 -13.377 35.648 0.50 21.56 ? 52 ASP A CG 1 ATOM 249 O OD1 . ASP A 1 32 ? 13.973 -14.225 35.387 0.50 22.61 ? 52 ASP A OD1 1 ATOM 250 O OD2 . ASP A 1 32 ? 16.035 -13.682 35.701 0.50 24.71 ? 52 ASP A OD2 1 ATOM 251 N N . SER A 1 33 ? 13.263 -11.927 32.499 1.00 19.05 ? 53 SER A N 1 ATOM 252 C CA . SER A 1 33 ? 13.753 -12.149 31.140 1.00 18.22 ? 53 SER A CA 1 ATOM 253 C C . SER A 1 33 ? 13.828 -10.844 30.351 1.00 17.49 ? 53 SER A C 1 ATOM 254 O O . SER A 1 33 ? 13.323 -9.807 30.781 1.00 15.17 ? 53 SER A O 1 ATOM 255 C CB . SER A 1 33 ? 12.840 -13.133 30.387 1.00 18.68 ? 53 SER A CB 1 ATOM 256 O OG . SER A 1 33 ? 11.592 -12.550 30.013 1.00 17.70 ? 53 SER A OG 1 ATOM 257 N N . THR A 1 34 ? 14.486 -10.906 29.202 1.00 17.33 ? 54 THR A N 1 ATOM 258 C CA . THR A 1 34 ? 14.583 -9.776 28.328 1.00 17.96 ? 54 THR A CA 1 ATOM 259 C C . THR A 1 34 ? 13.313 -9.669 27.441 1.00 16.43 ? 54 THR A C 1 ATOM 260 O O . THR A 1 34 ? 13.321 -8.919 26.475 1.00 15.39 ? 54 THR A O 1 ATOM 261 C CB . THR A 1 34 ? 15.836 -9.874 27.437 1.00 20.52 ? 54 THR A CB 1 ATOM 262 O OG1 . THR A 1 34 ? 15.845 -11.104 26.723 1.00 22.56 ? 54 THR A OG1 1 ATOM 263 C CG2 . THR A 1 34 ? 17.111 -9.771 28.301 1.00 23.36 ? 54 THR A CG2 1 ATOM 264 N N . SER A 1 35 ? 12.260 -10.416 27.757 1.00 14.35 ? 55 SER A N 1 ATOM 265 C CA . SER A 1 35 ? 10.957 -10.248 27.135 1.00 13.49 ? 55 SER A CA 1 ATOM 266 C C . SER A 1 35 ? 9.888 -9.946 28.159 1.00 12.16 ? 55 SER A C 1 ATOM 267 O O . SER A 1 35 ? 8.684 -10.204 27.896 1.00 12.03 ? 55 SER A O 1 ATOM 268 C CB . SER A 1 35 ? 10.585 -11.501 26.342 1.00 13.64 ? 55 SER A CB 1 ATOM 269 O OG . SER A 1 35 ? 11.558 -11.707 25.310 1.00 14.74 ? 55 SER A OG 1 ATOM 270 N N . TYR A 1 36 ? 10.279 -9.407 29.318 1.00 10.78 ? 56 TYR A N 1 ATOM 271 C CA . TYR A 1 36 ? 9.320 -9.243 30.432 1.00 11.56 ? 56 TYR A CA 1 ATOM 272 C C . TYR A 1 36 ? 7.993 -8.526 30.060 1.00 12.22 ? 56 TYR A C 1 ATOM 273 O O . TYR A 1 36 ? 6.913 -8.991 30.433 1.00 13.54 ? 56 TYR A O 1 ATOM 274 C CB . TYR A 1 36 ? 10.005 -8.579 31.670 1.00 12.08 ? 56 TYR A CB 1 ATOM 275 C CG . TYR A 1 36 ? 10.460 -7.121 31.456 1.00 11.38 ? 56 TYR A CG 1 ATOM 276 C CD1 . TYR A 1 36 ? 11.579 -6.821 30.677 1.00 11.82 ? 56 TYR A CD1 1 ATOM 277 C CD2 . TYR A 1 36 ? 9.733 -6.081 31.961 1.00 11.26 ? 56 TYR A CD2 1 ATOM 278 C CE1 . TYR A 1 36 ? 11.967 -5.522 30.465 1.00 11.74 ? 56 TYR A CE1 1 ATOM 279 C CE2 . TYR A 1 36 ? 10.118 -4.759 31.762 1.00 10.85 ? 56 TYR A CE2 1 ATOM 280 C CZ . TYR A 1 36 ? 11.250 -4.491 31.029 1.00 11.82 ? 56 TYR A CZ 1 ATOM 281 O OH . TYR A 1 36 ? 11.653 -3.198 30.776 1.00 11.97 ? 56 TYR A OH 1 ATOM 282 N N . LEU A 1 37 ? 8.045 -7.452 29.289 1.00 12.34 ? 57 LEU A N 1 ATOM 283 C CA . LEU A 1 37 ? 6.794 -6.772 28.872 1.00 11.52 ? 57 LEU A CA 1 ATOM 284 C C . LEU A 1 37 ? 6.122 -7.523 27.716 1.00 11.52 ? 57 LEU A C 1 ATOM 285 O O . LEU A 1 37 ? 4.902 -7.758 27.757 1.00 11.89 ? 57 LEU A O 1 ATOM 286 C CB . LEU A 1 37 ? 7.029 -5.329 28.450 1.00 11.43 ? 57 LEU A CB 1 ATOM 287 C CG . LEU A 1 37 ? 7.599 -4.354 29.482 1.00 11.68 ? 57 LEU A CG 1 ATOM 288 C CD1 . LEU A 1 37 ? 7.582 -2.956 28.857 1.00 12.38 ? 57 LEU A CD1 1 ATOM 289 C CD2 . LEU A 1 37 ? 6.793 -4.408 30.761 1.00 13.10 ? 57 LEU A CD2 1 ATOM 290 N N . ALA A 1 38 ? 6.921 -7.927 26.734 1.00 10.73 ? 58 ALA A N 1 ATOM 291 C CA . ALA A 1 38 ? 6.391 -8.652 25.575 1.00 10.92 ? 58 ALA A CA 1 ATOM 292 C C . ALA A 1 38 ? 5.661 -9.913 26.014 1.00 11.64 ? 58 ALA A C 1 ATOM 293 O O . ALA A 1 38 ? 4.626 -10.299 25.433 1.00 10.31 ? 58 ALA A O 1 ATOM 294 C CB . ALA A 1 38 ? 7.486 -8.971 24.611 1.00 11.43 ? 58 ALA A CB 1 ATOM 295 N N . ASN A 1 39 ? 6.182 -10.553 27.058 1.00 11.97 ? 59 ASN A N 1 ATOM 296 C CA . ASN A 1 39 ? 5.577 -11.813 27.536 1.00 12.77 ? 59 ASN A CA 1 ATOM 297 C C . ASN A 1 39 ? 4.178 -11.679 28.105 1.00 13.60 ? 59 ASN A C 1 ATOM 298 O O . ASN A 1 39 ? 3.441 -12.676 28.145 1.00 13.66 ? 59 ASN A O 1 ATOM 299 C CB . ASN A 1 39 ? 6.467 -12.482 28.629 1.00 14.35 ? 59 ASN A CB 1 ATOM 300 C CG . ASN A 1 39 ? 7.690 -13.166 28.048 1.00 15.49 ? 59 ASN A CG 1 ATOM 301 O OD1 . ASN A 1 39 ? 7.735 -13.475 26.836 1.00 17.41 ? 59 ASN A OD1 1 ATOM 302 N ND2 . ASN A 1 39 ? 8.696 -13.430 28.908 1.00 14.85 ? 59 ASN A ND2 1 ATOM 303 N N . VAL A 1 40 ? 3.834 -10.489 28.581 1.00 11.55 ? 60 VAL A N 1 ATOM 304 C CA . VAL A 1 40 ? 2.532 -10.263 29.164 1.00 13.08 ? 60 VAL A CA 1 ATOM 305 C C . VAL A 1 40 ? 1.644 -9.352 28.283 1.00 11.75 ? 60 VAL A C 1 ATOM 306 O O . VAL A 1 40 ? 0.485 -9.093 28.660 1.00 12.17 ? 60 VAL A O 1 ATOM 307 C CB . VAL A 1 40 ? 2.568 -9.635 30.581 1.00 13.50 ? 60 VAL A CB 1 ATOM 308 C CG1 . VAL A 1 40 ? 3.241 -10.555 31.572 1.00 15.03 ? 60 VAL A CG1 1 ATOM 309 C CG2 . VAL A 1 40 ? 3.152 -8.219 30.560 1.00 13.08 ? 60 VAL A CG2 1 ATOM 310 N N . ALA A 1 41 ? 2.142 -8.946 27.117 1.00 11.11 ? 61 ALA A N 1 ATOM 311 C CA . ALA A 1 41 ? 1.449 -7.967 26.317 1.00 10.77 ? 61 ALA A CA 1 ATOM 312 C C . ALA A 1 41 ? 0.126 -8.432 25.730 1.00 10.87 ? 61 ALA A C 1 ATOM 313 O O . ALA A 1 41 ? -0.706 -7.594 25.362 1.00 12.25 ? 61 ALA A O 1 ATOM 314 C CB . ALA A 1 41 ? 2.384 -7.470 25.207 1.00 11.06 ? 61 ALA A CB 1 ATOM 315 N N . THR A 1 42 ? -0.073 -9.738 25.601 1.00 12.25 ? 62 THR A N 1 ATOM 316 C CA . THR A 1 42 ? -1.281 -10.326 25.018 1.00 12.70 ? 62 THR A CA 1 ATOM 317 C C . THR A 1 42 ? -2.255 -10.859 26.050 1.00 12.29 ? 62 THR A C 1 ATOM 318 O O . THR A 1 42 ? -3.344 -11.246 25.687 1.00 11.30 ? 62 THR A O 1 ATOM 319 C CB . THR A 1 42 ? -0.934 -11.506 24.070 1.00 14.07 ? 62 THR A CB 1 ATOM 320 O OG1 . THR A 1 42 ? -0.387 -12.587 24.847 1.00 13.47 ? 62 THR A OG1 1 ATOM 321 C CG2 . THR A 1 42 ? 0.103 -11.050 23.063 1.00 14.49 ? 62 THR A CG2 1 ATOM 322 N N . TRP A 1 43 ? -1.892 -10.806 27.320 1.00 11.54 ? 63 TRP A N 1 ATOM 323 C CA . TRP A 1 43 ? -2.634 -11.448 28.381 1.00 11.49 ? 63 TRP A CA 1 ATOM 324 C C . TRP A 1 43 ? -4.087 -10.951 28.420 1.00 11.20 ? 63 TRP A C 1 ATOM 325 O O . TRP A 1 43 ? -5.021 -11.749 28.541 1.00 10.80 ? 63 TRP A O 1 ATOM 326 C CB . TRP A 1 43 ? -1.968 -11.256 29.758 1.00 12.43 ? 63 TRP A CB 1 ATOM 327 C CG . TRP A 1 43 ? -2.884 -11.610 30.913 1.00 12.23 ? 63 TRP A CG 1 ATOM 328 C CD1 . TRP A 1 43 ? -3.128 -12.872 31.454 1.00 12.30 ? 63 TRP A CD1 1 ATOM 329 C CD2 . TRP A 1 43 ? -3.671 -10.699 31.674 1.00 12.39 ? 63 TRP A CD2 1 ATOM 330 N NE1 . TRP A 1 43 ? -4.054 -12.783 32.476 1.00 12.78 ? 63 TRP A NE1 1 ATOM 331 C CE2 . TRP A 1 43 ? -4.398 -11.468 32.649 1.00 13.32 ? 63 TRP A CE2 1 ATOM 332 C CE3 . TRP A 1 43 ? -3.894 -9.334 31.599 1.00 12.89 ? 63 TRP A CE3 1 ATOM 333 C CZ2 . TRP A 1 43 ? -5.312 -10.874 33.538 1.00 13.55 ? 63 TRP A CZ2 1 ATOM 334 C CZ3 . TRP A 1 43 ? -4.808 -8.751 32.484 1.00 13.53 ? 63 TRP A CZ3 1 ATOM 335 C CH2 . TRP A 1 43 ? -5.494 -9.495 33.432 1.00 12.63 ? 63 TRP A CH2 1 ATOM 336 N N . ALA A 1 44 ? -4.305 -9.640 28.270 1.00 10.58 ? 64 ALA A N 1 ATOM 337 C CA . ALA A 1 44 ? -5.659 -9.138 28.351 1.00 10.92 ? 64 ALA A CA 1 ATOM 338 C C . ALA A 1 44 ? -6.615 -9.720 27.281 1.00 10.72 ? 64 ALA A C 1 ATOM 339 O O . ALA A 1 44 ? -7.835 -9.849 27.540 1.00 11.22 ? 64 ALA A O 1 ATOM 340 C CB . ALA A 1 44 ? -5.652 -7.612 28.290 1.00 11.74 ? 64 ALA A CB 1 ATOM 341 N N . ASP A 1 45 ? -6.104 -10.044 26.104 1.00 10.86 ? 65 ASP A N 1 ATOM 342 C CA . ASP A 1 45 ? -6.889 -10.658 25.069 1.00 12.07 ? 65 ASP A CA 1 ATOM 343 C C . ASP A 1 45 ? -7.292 -12.154 25.348 1.00 13.92 ? 65 ASP A C 1 ATOM 344 O O . ASP A 1 45 ? -8.247 -12.612 24.757 1.00 16.24 ? 65 ASP A O 1 ATOM 345 C CB . ASP A 1 45 ? -6.265 -10.554 23.671 1.00 12.58 ? 65 ASP A CB 1 ATOM 346 C CG . ASP A 1 45 ? -6.453 -9.166 23.030 1.00 12.97 ? 65 ASP A CG 1 ATOM 347 O OD1 . ASP A 1 45 ? -7.296 -8.335 23.492 1.00 11.99 ? 65 ASP A OD1 1 ATOM 348 O OD2 . ASP A 1 45 ? -5.765 -8.884 22.042 1.00 13.63 ? 65 ASP A OD2 1 ATOM 349 N N . THR A 1 46 ? -6.577 -12.840 26.220 1.00 14.17 ? 66 THR A N 1 ATOM 350 C CA . THR A 1 46 ? -7.016 -14.103 26.821 1.00 15.54 ? 66 THR A CA 1 ATOM 351 C C . THR A 1 46 ? -8.025 -13.890 27.942 1.00 14.40 ? 66 THR A C 1 ATOM 352 O O . THR A 1 46 ? -9.064 -14.524 27.980 1.00 14.05 ? 66 THR A O 1 ATOM 353 C CB . THR A 1 46 ? -5.769 -14.814 27.436 1.00 17.45 ? 66 THR A CB 1 ATOM 354 O OG1 . THR A 1 46 ? -4.973 -15.323 26.388 1.00 16.36 ? 66 THR A OG1 1 ATOM 355 C CG2 . THR A 1 46 ? -6.154 -15.963 28.456 1.00 19.03 ? 66 THR A CG2 1 ATOM 356 N N . TYR A 1 47 ? -7.678 -13.015 28.872 1.00 14.09 ? 67 TYR A N 1 ATOM 357 C CA . TYR A 1 47 ? -8.471 -12.763 30.048 1.00 14.40 ? 67 TYR A CA 1 ATOM 358 C C . TYR A 1 47 ? -9.884 -12.421 29.761 1.00 13.48 ? 67 TYR A C 1 ATOM 359 O O . TYR A 1 47 ? -10.801 -12.895 30.438 1.00 13.33 ? 67 TYR A O 1 ATOM 360 C CB . TYR A 1 47 ? -7.841 -11.661 30.886 1.00 15.21 ? 67 TYR A CB 1 ATOM 361 C CG . TYR A 1 47 ? -8.471 -11.422 32.241 1.00 16.68 ? 67 TYR A CG 1 ATOM 362 C CD1 . TYR A 1 47 ? -8.521 -12.454 33.214 1.00 17.49 ? 67 TYR A CD1 1 ATOM 363 C CD2 . TYR A 1 47 ? -8.863 -10.157 32.602 1.00 17.83 ? 67 TYR A CD2 1 ATOM 364 C CE1 . TYR A 1 47 ? -8.993 -12.222 34.479 1.00 19.22 ? 67 TYR A CE1 1 ATOM 365 C CE2 . TYR A 1 47 ? -9.357 -9.900 33.861 1.00 19.18 ? 67 TYR A CE2 1 ATOM 366 C CZ . TYR A 1 47 ? -9.417 -10.931 34.803 1.00 20.32 ? 67 TYR A CZ 1 ATOM 367 O OH . TYR A 1 47 ? -9.876 -10.637 36.029 1.00 20.49 ? 67 TYR A OH 1 ATOM 368 N N . LYS A 1 48 ? -10.088 -11.616 28.712 1.00 12.16 ? 68 LYS A N 1 ATOM 369 C CA . LYS A 1 48 ? -11.424 -11.233 28.336 1.00 11.86 ? 68 LYS A CA 1 ATOM 370 C C . LYS A 1 48 ? -12.369 -12.359 27.910 1.00 12.69 ? 68 LYS A C 1 ATOM 371 O O . LYS A 1 48 ? -13.569 -12.163 27.911 1.00 11.37 ? 68 LYS A O 1 ATOM 372 C CB . LYS A 1 48 ? -11.372 -10.099 27.290 1.00 11.98 ? 68 LYS A CB 1 ATOM 373 C CG . LYS A 1 48 ? -11.073 -10.518 25.902 1.00 11.18 ? 68 LYS A CG 1 ATOM 374 C CD . LYS A 1 48 ? -10.703 -9.340 25.043 1.00 11.15 ? 68 LYS A CD 1 ATOM 375 C CE . LYS A 1 48 ? -10.518 -9.751 23.573 1.00 11.83 ? 68 LYS A CE 1 ATOM 376 N NZ . LYS A 1 48 ? -10.051 -8.596 22.745 1.00 12.56 ? 68 LYS A NZ 1 ATOM 377 N N . TYR A 1 49 ? -11.817 -13.496 27.479 1.00 13.12 ? 69 TYR A N 1 ATOM 378 C CA . TYR A 1 49 ? -12.632 -14.649 27.127 1.00 15.08 ? 69 TYR A CA 1 ATOM 379 C C . TYR A 1 49 ? -12.694 -15.701 28.244 1.00 16.55 ? 69 TYR A C 1 ATOM 380 O O . TYR A 1 49 ? -12.958 -16.861 27.962 1.00 21.22 ? 69 TYR A O 1 ATOM 381 C CB . TYR A 1 49 ? -12.045 -15.274 25.843 1.00 16.23 ? 69 TYR A CB 1 ATOM 382 C CG . TYR A 1 49 ? -12.220 -14.411 24.631 1.00 16.50 ? 69 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 49 ? -13.494 -14.113 24.183 1.00 19.26 ? 69 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 49 ? -11.107 -13.906 23.912 1.00 17.63 ? 69 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 49 ? -13.681 -13.311 23.051 1.00 20.48 ? 69 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 49 ? -11.287 -13.102 22.769 1.00 17.53 ? 69 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 49 ? -12.561 -12.809 22.372 1.00 19.27 ? 69 TYR A CZ 1 ATOM 388 O OH . TYR A 1 49 ? -12.805 -12.043 21.269 1.00 24.07 ? 69 TYR A OH 1 ATOM 389 N N . THR A 1 50 ? -12.404 -15.305 29.483 1.00 14.36 ? 70 THR A N 1 ATOM 390 C CA . THR A 1 50 ? -12.565 -16.161 30.656 1.00 13.26 ? 70 THR A CA 1 ATOM 391 C C . THR A 1 50 ? -13.791 -15.646 31.425 1.00 14.24 ? 70 THR A C 1 ATOM 392 O O . THR A 1 50 ? -14.219 -14.497 31.281 1.00 11.76 ? 70 THR A O 1 ATOM 393 C CB . THR A 1 50 ? -11.336 -16.182 31.572 1.00 13.22 ? 70 THR A CB 1 ATOM 394 O OG1 . THR A 1 50 ? -11.154 -14.911 32.221 1.00 13.46 ? 70 THR A OG1 1 ATOM 395 C CG2 . THR A 1 50 ? -10.115 -16.551 30.809 1.00 14.71 ? 70 THR A CG2 1 ATOM 396 N N . ASP A 1 51 ? -14.324 -16.516 32.286 1.00 13.86 ? 71 ASP A N 1 ATOM 397 C CA . ASP A 1 51 ? -15.466 -16.173 33.089 1.00 15.75 ? 71 ASP A CA 1 ATOM 398 C C . ASP A 1 51 ? -15.097 -15.007 34.021 1.00 15.06 ? 71 ASP A C 1 ATOM 399 O O . ASP A 1 51 ? -15.862 -14.052 34.121 1.00 15.66 ? 71 ASP A O 1 ATOM 400 C CB . ASP A 1 51 ? -15.892 -17.335 33.981 1.00 17.47 ? 71 ASP A CB 1 ATOM 401 C CG . ASP A 1 51 ? -16.458 -18.523 33.215 1.00 18.75 ? 71 ASP A CG 1 ATOM 402 O OD1 . ASP A 1 51 ? -16.497 -18.541 31.953 1.00 20.67 ? 71 ASP A OD1 1 ATOM 403 O OD2 . ASP A 1 51 ? -16.842 -19.486 33.923 1.00 18.98 ? 71 ASP A OD2 1 ATOM 404 N N . ALA A 1 52 ? -13.956 -15.094 34.660 1.00 14.26 ? 72 ALA A N 1 ATOM 405 C CA . ALA A 1 52 ? -13.520 -14.043 35.572 1.00 15.30 ? 72 ALA A CA 1 ATOM 406 C C . ALA A 1 52 ? -13.184 -12.724 34.860 1.00 15.16 ? 72 ALA A C 1 ATOM 407 O O . ALA A 1 52 ? -13.394 -11.690 35.459 1.00 14.87 ? 72 ALA A O 1 ATOM 408 C CB . ALA A 1 52 ? -12.331 -14.500 36.429 1.00 15.09 ? 72 ALA A CB 1 ATOM 409 N N . GLY A 1 53 ? -12.699 -12.767 33.608 1.00 14.62 ? 73 GLY A N 1 ATOM 410 C CA . GLY A 1 53 ? -12.214 -11.561 32.919 1.00 14.39 ? 73 GLY A CA 1 ATOM 411 C C . GLY A 1 53 ? -13.155 -10.948 31.900 1.00 14.68 ? 73 GLY A C 1 ATOM 412 O O . GLY A 1 53 ? -12.832 -9.935 31.298 1.00 14.68 ? 73 GLY A O 1 ATOM 413 N N . GLU A 1 54 ? -14.300 -11.583 31.669 1.00 14.05 ? 74 GLU A N 1 ATOM 414 C CA . GLU A 1 54 ? -15.248 -11.164 30.661 1.00 16.31 ? 74 GLU A CA 1 ATOM 415 C C . GLU A 1 54 ? -15.666 -9.666 30.757 1.00 14.63 ? 74 GLU A C 1 ATOM 416 O O . GLU A 1 54 ? -15.885 -8.974 29.710 1.00 15.11 ? 74 GLU A O 1 ATOM 417 C CB . GLU A 1 54 ? -16.469 -12.070 30.789 1.00 18.79 ? 74 GLU A CB 1 ATOM 418 C CG . GLU A 1 54 ? -17.529 -11.737 29.778 1.00 22.30 ? 74 GLU A CG 1 ATOM 419 C CD . GLU A 1 54 ? -18.369 -12.942 29.414 0.50 21.88 ? 74 GLU A CD 1 ATOM 420 O OE1 . GLU A 1 54 ? -18.873 -12.934 28.309 0.50 22.57 ? 74 GLU A OE1 1 ATOM 421 O OE2 . GLU A 1 54 ? -18.507 -13.874 30.225 0.50 22.68 ? 74 GLU A OE2 1 ATOM 422 N N . PHE A 1 55 ? -15.759 -9.190 32.015 1.00 12.87 ? 75 PHE A N 1 ATOM 423 C CA . PHE A 1 55 ? -16.095 -7.784 32.334 1.00 13.71 ? 75 PHE A CA 1 ATOM 424 C C . PHE A 1 55 ? -15.155 -6.770 31.632 1.00 13.05 ? 75 PHE A C 1 ATOM 425 O O . PHE A 1 55 ? -15.533 -5.592 31.473 1.00 13.88 ? 75 PHE A O 1 ATOM 426 C CB . PHE A 1 55 ? -16.046 -7.524 33.891 1.00 14.12 ? 75 PHE A CB 1 ATOM 427 C CG . PHE A 1 55 ? -14.663 -7.405 34.458 1.00 14.88 ? 75 PHE A CG 1 ATOM 428 C CD1 . PHE A 1 55 ? -13.948 -8.540 34.833 1.00 14.50 ? 75 PHE A CD1 1 ATOM 429 C CD2 . PHE A 1 55 ? -14.025 -6.149 34.590 1.00 15.41 ? 75 PHE A CD2 1 ATOM 430 C CE1 . PHE A 1 55 ? -12.665 -8.460 35.294 1.00 15.35 ? 75 PHE A CE1 1 ATOM 431 C CE2 . PHE A 1 55 ? -12.716 -6.068 35.076 1.00 14.65 ? 75 PHE A CE2 1 ATOM 432 C CZ . PHE A 1 55 ? -12.019 -7.209 35.407 1.00 16.09 ? 75 PHE A CZ 1 ATOM 433 N N . SER A 1 56 ? -13.929 -7.216 31.308 1.00 11.56 ? 76 SER A N 1 ATOM 434 C CA . SER A 1 56 ? -12.861 -6.355 30.745 1.00 11.61 ? 76 SER A CA 1 ATOM 435 C C . SER A 1 56 ? -12.873 -6.270 29.207 1.00 11.02 ? 76 SER A C 1 ATOM 436 O O . SER A 1 56 ? -12.075 -5.518 28.659 1.00 10.55 ? 76 SER A O 1 ATOM 437 C CB . SER A 1 56 ? -11.487 -6.811 31.219 1.00 11.38 ? 76 SER A CB 1 ATOM 438 O OG . SER A 1 56 ? -11.124 -8.121 30.730 1.00 11.13 ? 76 SER A OG 1 ATOM 439 N N . LYS A 1 57 ? -13.837 -6.935 28.532 1.00 10.88 ? 77 LYS A N 1 ATOM 440 C CA . LYS A 1 57 ? -13.938 -6.835 27.085 1.00 10.93 ? 77 LYS A CA 1 ATOM 441 C C . LYS A 1 57 ? -14.001 -5.379 26.576 1.00 11.19 ? 77 LYS A C 1 ATOM 442 O O . LYS A 1 57 ? -13.319 -5.047 25.612 1.00 10.65 ? 77 LYS A O 1 ATOM 443 C CB . LYS A 1 57 ? -15.137 -7.625 26.517 1.00 11.98 ? 77 LYS A CB 1 ATOM 444 C CG . LYS A 1 57 ? -14.885 -9.083 26.405 1.00 13.94 ? 77 LYS A CG 1 ATOM 445 C CD . LYS A 1 57 ? -16.107 -9.817 25.899 1.00 15.30 ? 77 LYS A CD 1 ATOM 446 C CE . LYS A 1 57 ? -15.861 -11.318 25.840 1.00 17.70 ? 77 LYS A CE 1 ATOM 447 N NZ . LYS A 1 57 ? -17.037 -12.049 25.302 1.00 20.13 ? 77 LYS A NZ 1 ATOM 448 N N . PRO A 1 58 ? -14.804 -4.519 27.223 1.00 10.81 ? 78 PRO A N 1 ATOM 449 C CA . PRO A 1 58 ? -14.894 -3.151 26.709 1.00 10.79 ? 78 PRO A CA 1 ATOM 450 C C . PRO A 1 58 ? -13.659 -2.293 26.927 1.00 9.82 ? 78 PRO A C 1 ATOM 451 O O . PRO A 1 58 ? -13.551 -1.229 26.312 1.00 9.67 ? 78 PRO A O 1 ATOM 452 C CB . PRO A 1 58 ? -16.130 -2.563 27.465 1.00 10.95 ? 78 PRO A CB 1 ATOM 453 C CG . PRO A 1 58 ? -16.745 -3.701 28.249 1.00 12.03 ? 78 PRO A CG 1 ATOM 454 C CD . PRO A 1 58 ? -15.650 -4.697 28.427 1.00 11.74 ? 78 PRO A CD 1 ATOM 455 N N . TYR A 1 59 ? -12.740 -2.757 27.783 1.00 9.53 ? 79 TYR A N 1 ATOM 456 C CA . TYR A 1 59 ? -11.520 -2.016 28.120 1.00 10.06 ? 79 TYR A CA 1 ATOM 457 C C . TYR A 1 59 ? -10.534 -1.937 26.969 1.00 9.88 ? 79 TYR A C 1 ATOM 458 O O . TYR A 1 59 ? -9.555 -1.257 27.084 1.00 9.98 ? 79 TYR A O 1 ATOM 459 C CB . TYR A 1 59 ? -10.823 -2.573 29.373 1.00 10.58 ? 79 TYR A CB 1 ATOM 460 C CG . TYR A 1 59 ? -11.661 -2.620 30.671 1.00 11.04 ? 79 TYR A CG 1 ATOM 461 C CD1 . TYR A 1 59 ? -12.977 -2.087 30.745 1.00 12.32 ? 79 TYR A CD1 1 ATOM 462 C CD2 . TYR A 1 59 ? -11.124 -3.175 31.828 1.00 11.13 ? 79 TYR A CD2 1 ATOM 463 C CE1 . TYR A 1 59 ? -13.693 -2.124 31.921 1.00 12.98 ? 79 TYR A CE1 1 ATOM 464 C CE2 . TYR A 1 59 ? -11.819 -3.207 32.984 1.00 11.67 ? 79 TYR A CE2 1 ATOM 465 C CZ . TYR A 1 59 ? -13.089 -2.676 33.044 1.00 12.60 ? 79 TYR A CZ 1 ATOM 466 O OH . TYR A 1 59 ? -13.801 -2.754 34.202 1.00 13.78 ? 79 TYR A OH 1 ATOM 467 N N . HIS A 1 60 ? -10.819 -2.598 25.836 1.00 9.59 ? 80 HIS A N 1 ATOM 468 C CA . HIS A 1 60 ? -9.905 -2.607 24.669 1.00 9.72 ? 80 HIS A CA 1 ATOM 469 C C . HIS A 1 60 ? -10.181 -1.470 23.698 1.00 9.83 ? 80 HIS A C 1 ATOM 470 O O . HIS A 1 60 ? -9.392 -1.202 22.788 1.00 9.43 ? 80 HIS A O 1 ATOM 471 C CB . HIS A 1 60 ? -10.033 -4.004 23.996 1.00 9.52 ? 80 HIS A CB 1 ATOM 472 C CG . HIS A 1 60 ? -9.592 -5.105 24.909 1.00 9.05 ? 80 HIS A CG 1 ATOM 473 N ND1 . HIS A 1 60 ? -8.474 -5.869 24.666 1.00 7.99 ? 80 HIS A ND1 1 ATOM 474 C CD2 . HIS A 1 60 ? -10.062 -5.482 26.116 1.00 8.71 ? 80 HIS A CD2 1 ATOM 475 C CE1 . HIS A 1 60 ? -8.274 -6.661 25.695 1.00 8.58 ? 80 HIS A CE1 1 ATOM 476 N NE2 . HIS A 1 60 ? -9.209 -6.422 26.592 1.00 8.73 ? 80 HIS A NE2 1 ATOM 477 N N . PHE A 1 61 ? -11.305 -0.798 23.899 1.00 10.85 ? 81 PHE A N 1 ATOM 478 C CA A PHE A 1 61 ? -11.907 0.123 22.933 0.80 11.44 ? 81 PHE A CA 1 ATOM 479 C CA B PHE A 1 61 ? -11.699 0.213 22.944 0.20 10.55 ? 81 PHE A CA 1 ATOM 480 C C . PHE A 1 61 ? -12.389 1.450 23.546 1.00 10.69 ? 81 PHE A C 1 ATOM 481 O O . PHE A 1 61 ? -12.724 1.515 24.728 1.00 10.19 ? 81 PHE A O 1 ATOM 482 C CB A PHE A 1 61 ? -13.212 -0.479 22.339 0.80 12.35 ? 81 PHE A CB 1 ATOM 483 C CB B PHE A 1 61 ? -12.519 -0.432 21.809 0.20 10.45 ? 81 PHE A CB 1 ATOM 484 C CG A PHE A 1 61 ? -13.076 -1.887 21.878 0.80 13.12 ? 81 PHE A CG 1 ATOM 485 C CG B PHE A 1 61 ? -13.680 -1.256 22.283 0.20 10.39 ? 81 PHE A CG 1 ATOM 486 C CD1 A PHE A 1 61 ? -12.133 -2.220 20.936 0.80 12.89 ? 81 PHE A CD1 1 ATOM 487 C CD1 B PHE A 1 61 ? -14.898 -0.668 22.509 0.20 10.30 ? 81 PHE A CD1 1 ATOM 488 C CD2 A PHE A 1 61 ? -13.847 -2.899 22.467 0.80 13.78 ? 81 PHE A CD2 1 ATOM 489 C CD2 B PHE A 1 61 ? -13.543 -2.626 22.495 0.20 10.33 ? 81 PHE A CD2 1 ATOM 490 C CE1 A PHE A 1 61 ? -11.995 -3.529 20.529 0.80 13.81 ? 81 PHE A CE1 1 ATOM 491 C CE1 B PHE A 1 61 ? -15.967 -1.413 22.946 0.20 10.43 ? 81 PHE A CE1 1 ATOM 492 C CE2 A PHE A 1 61 ? -13.706 -4.197 22.062 0.80 14.58 ? 81 PHE A CE2 1 ATOM 493 C CE2 B PHE A 1 61 ? -14.611 -3.379 22.936 0.20 10.17 ? 81 PHE A CE2 1 ATOM 494 C CZ A PHE A 1 61 ? -12.773 -4.512 21.074 0.80 14.12 ? 81 PHE A CZ 1 ATOM 495 C CZ B PHE A 1 61 ? -15.826 -2.765 23.152 0.20 10.31 ? 81 PHE A CZ 1 ATOM 496 N N . ILE A 1 62 ? -12.458 2.478 22.715 1.00 11.37 ? 82 ILE A N 1 ATOM 497 C CA . ILE A 1 62 ? -13.315 3.637 22.968 1.00 11.97 ? 82 ILE A CA 1 ATOM 498 C C . ILE A 1 62 ? -14.041 3.917 21.677 1.00 11.89 ? 82 ILE A C 1 ATOM 499 O O . ILE A 1 62 ? -13.453 4.287 20.665 1.00 11.22 ? 82 ILE A O 1 ATOM 500 C CB . ILE A 1 62 ? -12.604 4.877 23.580 1.00 13.02 ? 82 ILE A CB 1 ATOM 501 C CG1 . ILE A 1 62 ? -13.677 5.977 23.877 1.00 12.76 ? 82 ILE A CG1 1 ATOM 502 C CG2 . ILE A 1 62 ? -11.405 5.327 22.755 1.00 12.69 ? 82 ILE A CG2 1 ATOM 503 C CD1 . ILE A 1 62 ? -13.210 7.005 24.841 1.00 13.76 ? 82 ILE A CD1 1 ATOM 504 N N . ASP A 1 63 ? -15.338 3.665 21.713 1.00 11.67 ? 83 ASP A N 1 ATOM 505 C CA . ASP A 1 63 ? -16.164 3.602 20.505 1.00 12.18 ? 83 ASP A CA 1 ATOM 506 C C . ASP A 1 63 ? -16.563 5.000 20.080 1.00 11.06 ? 83 ASP A C 1 ATOM 507 O O . ASP A 1 63 ? -17.700 5.434 20.356 1.00 11.61 ? 83 ASP A O 1 ATOM 508 C CB . ASP A 1 63 ? -17.427 2.718 20.797 1.00 14.01 ? 83 ASP A CB 1 ATOM 509 C CG . ASP A 1 63 ? -17.141 1.229 20.603 1.00 16.78 ? 83 ASP A CG 1 ATOM 510 O OD1 . ASP A 1 63 ? -16.083 0.887 19.998 1.00 17.27 ? 83 ASP A OD1 1 ATOM 511 O OD2 . ASP A 1 63 ? -17.969 0.400 21.045 1.00 19.84 ? 83 ASP A OD2 1 ATOM 512 N N . ALA A 1 64 ? -15.655 5.701 19.411 1.00 10.22 ? 84 ALA A N 1 ATOM 513 C CA . ALA A 1 64 ? -15.931 7.055 18.927 1.00 10.93 ? 84 ALA A CA 1 ATOM 514 C C . ALA A 1 64 ? -17.217 7.117 18.037 1.00 10.87 ? 84 ALA A C 1 ATOM 515 O O . ALA A 1 64 ? -17.303 6.437 17.056 1.00 9.89 ? 84 ALA A O 1 ATOM 516 C CB . ALA A 1 64 ? -14.740 7.595 18.129 1.00 11.17 ? 84 ALA A CB 1 ATOM 517 N N . GLN A 1 65 ? -18.212 7.899 18.452 1.00 11.65 ? 85 GLN A N 1 ATOM 518 C CA . GLN A 1 65 ? -19.485 7.993 17.754 1.00 12.29 ? 85 GLN A CA 1 ATOM 519 C C . GLN A 1 65 ? -19.350 9.150 16.766 1.00 12.86 ? 85 GLN A C 1 ATOM 520 O O . GLN A 1 65 ? -19.920 10.270 16.937 1.00 12.51 ? 85 GLN A O 1 ATOM 521 C CB . GLN A 1 65 ? -20.605 8.192 18.752 1.00 13.73 ? 85 GLN A CB 1 ATOM 522 C CG . GLN A 1 65 ? -20.826 6.967 19.621 1.00 14.80 ? 85 GLN A CG 1 ATOM 523 C CD . GLN A 1 65 ? -21.832 7.255 20.718 1.00 19.35 ? 85 GLN A CD 1 ATOM 524 O OE1 . GLN A 1 65 ? -22.998 7.331 20.466 1.00 24.31 ? 85 GLN A OE1 1 ATOM 525 N NE2 . GLN A 1 65 ? -21.348 7.516 21.921 1.00 24.69 ? 85 GLN A NE2 1 ATOM 526 N N . ASP A 1 66 ? -18.512 8.887 15.739 1.00 12.30 ? 86 ASP A N 1 ATOM 527 C CA . ASP A 1 66 ? -18.217 9.900 14.729 1.00 12.63 ? 86 ASP A CA 1 ATOM 528 C C . ASP A 1 66 ? -18.740 9.481 13.382 1.00 12.84 ? 86 ASP A C 1 ATOM 529 O O . ASP A 1 66 ? -19.537 8.559 13.332 1.00 14.01 ? 86 ASP A O 1 ATOM 530 C CB . ASP A 1 66 ? -16.690 10.283 14.785 1.00 12.41 ? 86 ASP A CB 1 ATOM 531 C CG . ASP A 1 66 ? -15.755 9.104 14.611 1.00 11.81 ? 86 ASP A CG 1 ATOM 532 O OD1 . ASP A 1 66 ? -16.208 7.997 14.262 1.00 12.11 ? 86 ASP A OD1 1 ATOM 533 O OD2 . ASP A 1 66 ? -14.536 9.325 14.802 1.00 11.26 ? 86 ASP A OD2 1 ATOM 534 N N . ASN A 1 67 ? -18.304 10.119 12.278 1.00 13.62 ? 87 ASN A N 1 ATOM 535 C CA . ASN A 1 67 ? -18.829 9.824 10.955 1.00 14.82 ? 87 ASN A CA 1 ATOM 536 C C . ASN A 1 67 ? -17.772 9.716 9.882 1.00 14.17 ? 87 ASN A C 1 ATOM 537 O O . ASN A 1 67 ? -17.676 10.550 9.015 1.00 13.33 ? 87 ASN A O 1 ATOM 538 C CB . ASN A 1 67 ? -19.843 10.903 10.577 1.00 16.79 ? 87 ASN A CB 1 ATOM 539 C CG . ASN A 1 67 ? -21.126 10.768 11.369 1.00 19.44 ? 87 ASN A CG 1 ATOM 540 O OD1 . ASN A 1 67 ? -21.292 11.422 12.365 1.00 25.71 ? 87 ASN A OD1 1 ATOM 541 N ND2 . ASN A 1 67 ? -22.014 9.894 10.933 1.00 21.09 ? 87 ASN A ND2 1 ATOM 542 N N . PRO A 1 68 ? -16.953 8.670 9.932 1.00 14.08 ? 88 PRO A N 1 ATOM 543 C CA . PRO A 1 68 ? -15.826 8.659 9.045 1.00 14.07 ? 88 PRO A CA 1 ATOM 544 C C . PRO A 1 68 ? -16.214 8.180 7.641 1.00 14.76 ? 88 PRO A C 1 ATOM 545 O O . PRO A 1 68 ? -17.192 7.433 7.497 1.00 14.47 ? 88 PRO A O 1 ATOM 546 C CB . PRO A 1 68 ? -14.871 7.671 9.720 1.00 14.67 ? 88 PRO A CB 1 ATOM 547 C CG . PRO A 1 68 ? -15.819 6.672 10.349 1.00 13.88 ? 88 PRO A CG 1 ATOM 548 C CD . PRO A 1 68 ? -16.932 7.539 10.877 1.00 14.64 ? 88 PRO A CD 1 ATOM 549 N N . PRO A 1 69 ? -15.461 8.575 6.603 1.00 15.72 ? 89 PRO A N 1 ATOM 550 C CA . PRO A 1 69 ? -14.226 9.351 6.702 1.00 16.36 ? 89 PRO A CA 1 ATOM 551 C C . PRO A 1 69 ? -14.438 10.874 6.711 1.00 17.53 ? 89 PRO A C 1 ATOM 552 O O . PRO A 1 69 ? -13.460 11.605 6.698 1.00 17.18 ? 89 PRO A O 1 ATOM 553 C CB . PRO A 1 69 ? -13.485 8.957 5.410 1.00 15.70 ? 89 PRO A CB 1 ATOM 554 C CG . PRO A 1 69 ? -14.588 8.687 4.424 1.00 15.70 ? 89 PRO A CG 1 ATOM 555 C CD . PRO A 1 69 ? -15.664 8.016 5.245 1.00 15.89 ? 89 PRO A CD 1 ATOM 556 N N . GLN A 1 70 ? -15.690 11.339 6.682 1.00 18.53 ? 90 GLN A N 1 ATOM 557 C CA . GLN A 1 70 ? -15.992 12.809 6.593 1.00 20.05 ? 90 GLN A CA 1 ATOM 558 C C . GLN A 1 70 ? -15.668 13.588 7.884 1.00 18.45 ? 90 GLN A C 1 ATOM 559 O O . GLN A 1 70 ? -15.107 14.696 7.859 1.00 17.17 ? 90 GLN A O 1 ATOM 560 C CB A GLN A 1 70 ? -17.432 13.058 6.111 0.50 20.47 ? 90 GLN A CB 1 ATOM 561 C CB B GLN A 1 70 ? -17.457 13.063 6.121 0.50 20.80 ? 90 GLN A CB 1 ATOM 562 C CG A GLN A 1 70 ? -17.650 12.639 4.649 0.50 21.51 ? 90 GLN A CG 1 ATOM 563 C CG B GLN A 1 70 ? -18.599 12.479 6.970 0.50 22.44 ? 90 GLN A CG 1 ATOM 564 C CD A GLN A 1 70 ? -17.922 11.146 4.450 0.50 22.49 ? 90 GLN A CD 1 ATOM 565 C CD B GLN A 1 70 ? -19.202 11.119 6.505 0.50 22.71 ? 90 GLN A CD 1 ATOM 566 O OE1 A GLN A 1 70 ? -18.070 10.374 5.419 0.50 23.72 ? 90 GLN A OE1 1 ATOM 567 O OE1 B GLN A 1 70 ? -18.508 10.191 6.056 0.50 22.87 ? 90 GLN A OE1 1 ATOM 568 N NE2 A GLN A 1 70 ? -17.994 10.725 3.191 0.50 21.96 ? 90 GLN A NE2 1 ATOM 569 N NE2 B GLN A 1 70 ? -20.512 10.993 6.670 0.50 22.71 ? 90 GLN A NE2 1 ATOM 570 N N . SER A 1 71 ? -15.896 12.950 9.031 1.00 16.96 ? 91 SER A N 1 ATOM 571 C CA . SER A 1 71 ? -15.687 13.556 10.290 1.00 14.73 ? 91 SER A CA 1 ATOM 572 C C . SER A 1 71 ? -15.264 12.517 11.351 1.00 14.44 ? 91 SER A C 1 ATOM 573 O O . SER A 1 71 ? -15.966 11.507 11.584 1.00 13.53 ? 91 SER A O 1 ATOM 574 C CB . SER A 1 71 ? -17.009 14.207 10.742 1.00 16.48 ? 91 SER A CB 1 ATOM 575 O OG . SER A 1 71 ? -16.771 14.835 11.966 1.00 19.09 ? 91 SER A OG 1 ATOM 576 N N . CYS A 1 72 ? -14.120 12.779 11.972 1.00 14.27 ? 92 CYS A N 1 ATOM 577 C CA . CYS A 1 72 ? -13.606 11.936 13.071 1.00 14.19 ? 92 CYS A CA 1 ATOM 578 C C . CYS A 1 72 ? -13.491 12.736 14.344 1.00 14.28 ? 92 CYS A C 1 ATOM 579 O O . CYS A 1 72 ? -13.141 13.960 14.359 1.00 15.03 ? 92 CYS A O 1 ATOM 580 C CB . CYS A 1 72 ? -12.230 11.334 12.703 1.00 14.56 ? 92 CYS A CB 1 ATOM 581 S SG . CYS A 1 72 ? -12.326 9.936 11.615 1.00 14.27 ? 92 CYS A SG 1 ATOM 582 N N . GLY A 1 73 ? -13.784 12.077 15.441 1.00 13.01 ? 93 GLY A N 1 ATOM 583 C CA . GLY A 1 73 ? -13.550 12.626 16.747 1.00 13.72 ? 93 GLY A CA 1 ATOM 584 C C . GLY A 1 73 ? -13.959 11.713 17.855 1.00 14.16 ? 93 GLY A C 1 ATOM 585 O O . GLY A 1 73 ? -14.899 10.908 17.694 1.00 15.07 ? 93 GLY A O 1 ATOM 586 N N . VAL A 1 74 ? -13.264 11.832 18.978 1.00 14.07 ? 94 VAL A N 1 ATOM 587 C CA . VAL A 1 74 ? -13.503 10.982 20.109 1.00 16.31 ? 94 VAL A CA 1 ATOM 588 C C . VAL A 1 74 ? -13.632 11.816 21.328 1.00 16.67 ? 94 VAL A C 1 ATOM 589 O O . VAL A 1 74 ? -12.983 12.838 21.482 1.00 16.86 ? 94 VAL A O 1 ATOM 590 C CB . VAL A 1 74 ? -12.442 9.824 20.233 1.00 18.01 ? 94 VAL A CB 1 ATOM 591 C CG1 . VAL A 1 74 ? -11.050 10.349 20.218 1.00 18.98 ? 94 VAL A CG1 1 ATOM 592 C CG2 . VAL A 1 74 ? -12.722 8.905 21.470 1.00 18.62 ? 94 VAL A CG2 1 ATOM 593 N N . ASP A 1 75 ? -14.575 11.445 22.174 1.00 17.34 ? 95 ASP A N 1 ATOM 594 C CA . ASP A 1 75 ? -14.856 12.186 23.400 1.00 17.62 ? 95 ASP A CA 1 ATOM 595 C C . ASP A 1 75 ? -15.075 11.245 24.574 1.00 15.79 ? 95 ASP A C 1 ATOM 596 O O . ASP A 1 75 ? -15.904 10.348 24.454 1.00 14.23 ? 95 ASP A O 1 ATOM 597 C CB . ASP A 1 75 ? -16.122 13.014 23.245 1.00 19.84 ? 95 ASP A CB 1 ATOM 598 C CG . ASP A 1 75 ? -16.437 13.773 24.521 1.00 22.82 ? 95 ASP A CG 1 ATOM 599 O OD1 . ASP A 1 75 ? -15.756 14.773 24.735 1.00 31.93 ? 95 ASP A OD1 1 ATOM 600 O OD2 . ASP A 1 75 ? -17.315 13.402 25.310 1.00 20.85 ? 95 ASP A OD2 1 ATOM 601 N N . TYR A 1 76 ? -14.382 11.488 25.707 1.00 15.17 ? 96 TYR A N 1 ATOM 602 C CA . TYR A 1 76 ? -14.448 10.559 26.839 1.00 13.96 ? 96 TYR A CA 1 ATOM 603 C C . TYR A 1 76 ? -15.877 10.296 27.330 1.00 13.30 ? 96 TYR A C 1 ATOM 604 O O . TYR A 1 76 ? -16.383 9.148 27.341 1.00 11.78 ? 96 TYR A O 1 ATOM 605 C CB . TYR A 1 76 ? -13.605 11.074 27.988 1.00 13.99 ? 96 TYR A CB 1 ATOM 606 C CG . TYR A 1 76 ? -13.534 10.181 29.170 1.00 13.98 ? 96 TYR A CG 1 ATOM 607 C CD1 . TYR A 1 76 ? -13.248 8.816 29.044 1.00 14.16 ? 96 TYR A CD1 1 ATOM 608 C CD2 . TYR A 1 76 ? -13.745 10.691 30.463 1.00 15.02 ? 96 TYR A CD2 1 ATOM 609 C CE1 . TYR A 1 76 ? -13.126 8.016 30.163 1.00 14.70 ? 96 TYR A CE1 1 ATOM 610 C CE2 . TYR A 1 76 ? -13.652 9.865 31.588 1.00 14.69 ? 96 TYR A CE2 1 ATOM 611 C CZ . TYR A 1 76 ? -13.353 8.529 31.421 1.00 15.28 ? 96 TYR A CZ 1 ATOM 612 O OH . TYR A 1 76 ? -13.222 7.715 32.512 1.00 16.51 ? 96 TYR A OH 1 ATOM 613 N N . ASP A 1 77 ? -16.550 11.343 27.743 1.00 13.32 ? 97 ASP A N 1 ATOM 614 C CA . ASP A 1 77 ? -17.868 11.110 28.307 1.00 14.62 ? 97 ASP A CA 1 ATOM 615 C C . ASP A 1 77 ? -18.898 10.635 27.292 1.00 13.81 ? 97 ASP A C 1 ATOM 616 O O . ASP A 1 77 ? -19.779 9.826 27.607 1.00 13.34 ? 97 ASP A O 1 ATOM 617 C CB . ASP A 1 77 ? -18.430 12.385 28.962 1.00 16.60 ? 97 ASP A CB 1 ATOM 618 C CG . ASP A 1 77 ? -19.634 12.102 29.731 1.00 17.00 ? 97 ASP A CG 1 ATOM 619 O OD1 . ASP A 1 77 ? -19.553 11.406 30.768 1.00 17.10 ? 97 ASP A OD1 1 ATOM 620 O OD2 . ASP A 1 77 ? -20.702 12.475 29.241 1.00 21.16 ? 97 ASP A OD2 1 ATOM 621 N N . ARG A 1 78 ? -18.819 11.132 26.070 1.00 13.84 ? 98 ARG A N 1 ATOM 622 C CA . ARG A 1 78 ? -19.783 10.684 25.061 1.00 14.54 ? 98 ARG A CA 1 ATOM 623 C C . ARG A 1 78 ? -19.590 9.193 24.713 1.00 13.93 ? 98 ARG A C 1 ATOM 624 O O . ARG A 1 78 ? -20.557 8.459 24.484 1.00 13.69 ? 98 ARG A O 1 ATOM 625 C CB . ARG A 1 78 ? -19.606 11.493 23.773 1.00 14.68 ? 98 ARG A CB 1 ATOM 626 C CG . ARG A 1 78 ? -20.717 11.300 22.778 1.00 16.10 ? 98 ARG A CG 1 ATOM 627 C CD . ARG A 1 78 ? -20.415 11.939 21.420 1.00 16.44 ? 98 ARG A CD 1 ATOM 628 N NE . ARG A 1 78 ? -19.210 11.361 20.843 1.00 16.66 ? 98 ARG A NE 1 ATOM 629 C CZ . ARG A 1 78 ? -18.499 11.893 19.852 1.00 17.56 ? 98 ARG A CZ 1 ATOM 630 N NH1 . ARG A 1 78 ? -18.927 13.020 19.246 1.00 18.15 ? 98 ARG A NH1 1 ATOM 631 N NH2 . ARG A 1 78 ? -17.378 11.282 19.420 1.00 17.22 ? 98 ARG A NH2 1 ATOM 632 N N . ASP A 1 79 ? -18.323 8.771 24.632 1.00 12.73 ? 99 ASP A N 1 ATOM 633 C CA . ASP A 1 79 ? -17.978 7.535 23.962 1.00 11.83 ? 99 ASP A CA 1 ATOM 634 C C . ASP A 1 79 ? -17.592 6.371 24.872 1.00 12.31 ? 99 ASP A C 1 ATOM 635 O O . ASP A 1 79 ? -17.688 5.222 24.428 1.00 11.92 ? 99 ASP A O 1 ATOM 636 C CB . ASP A 1 79 ? -16.874 7.793 22.971 1.00 12.03 ? 99 ASP A CB 1 ATOM 637 C CG . ASP A 1 79 ? -17.307 8.723 21.864 1.00 11.80 ? 99 ASP A CG 1 ATOM 638 O OD1 . ASP A 1 79 ? -18.502 8.707 21.442 1.00 12.99 ? 99 ASP A OD1 1 ATOM 639 O OD2 . ASP A 1 79 ? -16.443 9.425 21.311 1.00 11.44 ? 99 ASP A OD2 1 ATOM 640 N N . CYS A 1 80 ? -17.086 6.651 26.079 1.00 12.10 ? 100 CYS A N 1 ATOM 641 C CA . CYS A 1 80 ? -16.624 5.590 26.953 1.00 13.02 ? 100 CYS A CA 1 ATOM 642 C C . CYS A 1 80 ? -17.704 4.555 27.224 1.00 13.96 ? 100 CYS A C 1 ATOM 643 O O . CYS A 1 80 ? -17.531 3.371 26.967 1.00 13.96 ? 100 CYS A O 1 ATOM 644 C CB . CYS A 1 80 ? -16.102 6.178 28.251 1.00 13.12 ? 100 CYS A CB 1 ATOM 645 S SG . CYS A 1 80 ? -15.173 4.975 29.230 1.00 13.91 ? 100 CYS A SG 1 ATOM 646 N N . GLY A 1 81 ? -18.834 5.001 27.774 1.00 16.24 ? 101 GLY A N 1 ATOM 647 C CA . GLY A 1 81 ? -19.940 4.114 28.022 1.00 17.52 ? 101 GLY A CA 1 ATOM 648 C C . GLY A 1 81 ? -19.925 3.649 29.473 1.00 20.12 ? 101 GLY A C 1 ATOM 649 O O . GLY A 1 81 ? -18.926 3.802 30.235 1.00 18.73 ? 101 GLY A O 1 ATOM 650 N N . SER A 1 82 ? -21.076 3.116 29.849 1.00 22.17 ? 102 SER A N 1 ATOM 651 C CA . SER A 1 82 ? -21.317 2.716 31.235 1.00 25.94 ? 102 SER A CA 1 ATOM 652 C C . SER A 1 82 ? -20.525 1.476 31.708 1.00 23.67 ? 102 SER A C 1 ATOM 653 O O . SER A 1 82 ? -20.368 1.264 32.909 1.00 28.21 ? 102 SER A O 1 ATOM 654 C CB A SER A 1 82 ? -22.837 2.421 31.402 0.50 24.30 ? 102 SER A CB 1 ATOM 655 C CB B SER A 1 82 ? -22.823 2.588 31.566 0.50 24.35 ? 102 SER A CB 1 ATOM 656 O OG A SER A 1 82 ? -23.262 1.398 30.495 0.50 24.29 ? 102 SER A OG 1 ATOM 657 O OG B SER A 1 82 ? -23.100 3.515 32.599 0.50 24.56 ? 102 SER A OG 1 ATOM 658 N N . ALA A 1 83 ? -20.043 0.663 30.781 1.00 21.97 ? 103 ALA A N 1 ATOM 659 C CA . ALA A 1 83 ? -19.253 -0.519 31.168 1.00 21.01 ? 103 ALA A CA 1 ATOM 660 C C . ALA A 1 83 ? -17.732 -0.251 31.146 1.00 19.96 ? 103 ALA A C 1 ATOM 661 O O . ALA A 1 83 ? -16.955 -1.195 31.251 1.00 19.84 ? 103 ALA A O 1 ATOM 662 C CB . ALA A 1 83 ? -19.603 -1.666 30.236 1.00 22.62 ? 103 ALA A CB 1 ATOM 663 N N . GLY A 1 84 ? -17.319 1.012 30.970 1.00 15.52 ? 104 GLY A N 1 ATOM 664 C CA . GLY A 1 84 ? -15.885 1.326 30.877 1.00 14.46 ? 104 GLY A CA 1 ATOM 665 C C . GLY A 1 84 ? -15.319 1.172 29.487 1.00 12.41 ? 104 GLY A C 1 ATOM 666 O O . GLY A 1 84 ? -15.986 0.700 28.527 1.00 12.10 ? 104 GLY A O 1 ATOM 667 N N . CYS A 1 85 ? -14.097 1.648 29.342 1.00 11.62 ? 105 CYS A N 1 ATOM 668 C CA . CYS A 1 85 ? -13.473 1.693 28.013 1.00 10.32 ? 105 CYS A CA 1 ATOM 669 C C . CYS A 1 85 ? -11.969 1.700 28.232 1.00 9.72 ? 105 CYS A C 1 ATOM 670 O O . CYS A 1 85 ? -11.504 1.706 29.358 1.00 9.27 ? 105 CYS A O 1 ATOM 671 C CB . CYS A 1 85 ? -13.964 2.922 27.236 1.00 10.40 ? 105 CYS A CB 1 ATOM 672 S SG . CYS A 1 85 ? -13.514 4.496 28.050 1.00 11.56 ? 105 CYS A SG 1 ATOM 673 N N . SER A 1 86 ? -11.209 1.756 27.148 1.00 9.70 ? 106 SER A N 1 ATOM 674 C CA . SER A 1 86 ? -9.771 1.867 27.249 1.00 9.81 ? 106 SER A CA 1 ATOM 675 C C . SER A 1 86 ? -9.248 2.998 28.147 1.00 10.22 ? 106 SER A C 1 ATOM 676 O O . SER A 1 86 ? -8.323 2.782 28.927 1.00 10.02 ? 106 SER A O 1 ATOM 677 C CB . SER A 1 86 ? -9.183 1.951 25.856 1.00 10.30 ? 106 SER A CB 1 ATOM 678 O OG . SER A 1 86 ? -9.709 3.056 25.148 1.00 9.25 ? 106 SER A OG 1 ATOM 679 N N . ILE A 1 87 ? -9.897 4.159 28.039 1.00 10.49 ? 107 ILE A N 1 ATOM 680 C CA . ILE A 1 87 ? -9.499 5.381 28.729 1.00 10.89 ? 107 ILE A CA 1 ATOM 681 C C . ILE A 1 87 ? -9.748 5.258 30.241 1.00 10.65 ? 107 ILE A C 1 ATOM 682 O O . ILE A 1 87 ? -8.863 5.546 31.047 1.00 11.46 ? 107 ILE A O 1 ATOM 683 C CB . ILE A 1 87 ? -10.270 6.578 28.163 1.00 10.45 ? 107 ILE A CB 1 ATOM 684 C CG1 . ILE A 1 87 ? -10.111 6.656 26.653 1.00 10.56 ? 107 ILE A CG1 1 ATOM 685 C CG2 . ILE A 1 87 ? -9.856 7.887 28.849 1.00 10.54 ? 107 ILE A CG2 1 ATOM 686 C CD1 . ILE A 1 87 ? -8.695 6.710 26.146 1.00 10.83 ? 107 ILE A CD1 1 ATOM 687 N N . SER A 1 88 ? -10.923 4.793 30.629 1.00 10.37 ? 108 SER A N 1 ATOM 688 C CA . SER A 1 88 ? -11.215 4.606 32.025 1.00 10.40 ? 108 SER A CA 1 ATOM 689 C C . SER A 1 88 ? -10.367 3.489 32.640 1.00 10.59 ? 108 SER A C 1 ATOM 690 O O . SER A 1 88 ? -9.952 3.592 33.782 1.00 12.20 ? 108 SER A O 1 ATOM 691 C CB . SER A 1 88 ? -12.744 4.412 32.221 1.00 10.53 ? 108 SER A CB 1 ATOM 692 O OG . SER A 1 88 ? -13.184 3.117 31.863 1.00 11.15 ? 108 SER A OG 1 ATOM 693 N N . ALA A 1 89 ? -10.091 2.434 31.874 1.00 9.91 ? 109 ALA A N 1 ATOM 694 C CA . ALA A 1 89 ? -9.166 1.417 32.298 1.00 10.28 ? 109 ALA A CA 1 ATOM 695 C C . ALA A 1 89 ? -7.725 1.930 32.542 1.00 11.06 ? 109 ALA A C 1 ATOM 696 O O . ALA A 1 89 ? -7.061 1.589 33.560 1.00 11.08 ? 109 ALA A O 1 ATOM 697 C CB . ALA A 1 89 ? -9.154 0.293 31.262 1.00 10.41 ? 109 ALA A CB 1 ATOM 698 N N . ILE A 1 90 ? -7.206 2.727 31.591 1.00 11.37 ? 110 ILE A N 1 ATOM 699 C CA . ILE A 1 90 ? -5.866 3.321 31.794 1.00 12.29 ? 110 ILE A CA 1 ATOM 700 C C . ILE A 1 90 ? -5.843 4.130 33.107 1.00 12.52 ? 110 ILE A C 1 ATOM 701 O O . ILE A 1 90 ? -4.914 3.992 33.908 1.00 12.71 ? 110 ILE A O 1 ATOM 702 C CB . ILE A 1 90 ? -5.374 4.188 30.620 1.00 12.68 ? 110 ILE A CB 1 ATOM 703 C CG1 . ILE A 1 90 ? -5.070 3.359 29.383 1.00 12.84 ? 110 ILE A CG1 1 ATOM 704 C CG2 . ILE A 1 90 ? -4.096 4.981 30.990 1.00 14.23 ? 110 ILE A CG2 1 ATOM 705 C CD1 . ILE A 1 90 ? -4.098 2.236 29.642 1.00 14.08 ? 110 ILE A CD1 1 ATOM 706 N N . GLN A 1 91 ? -6.907 4.897 33.389 1.00 12.88 ? 111 GLN A N 1 ATOM 707 C CA . GLN A 1 91 ? -6.936 5.668 34.618 1.00 13.25 ? 111 GLN A CA 1 ATOM 708 C C . GLN A 1 91 ? -6.887 4.739 35.845 1.00 12.84 ? 111 GLN A C 1 ATOM 709 O O . GLN A 1 91 ? -6.013 4.863 36.769 1.00 12.43 ? 111 GLN A O 1 ATOM 710 C CB . GLN A 1 91 ? -8.157 6.605 34.653 1.00 14.21 ? 111 GLN A CB 1 ATOM 711 C CG . GLN A 1 91 ? -8.315 7.292 36.011 1.00 15.71 ? 111 GLN A CG 1 ATOM 712 C CD . GLN A 1 91 ? -9.524 8.186 36.097 1.00 17.40 ? 111 GLN A CD 1 ATOM 713 O OE1 . GLN A 1 91 ? -10.607 7.839 35.650 1.00 18.35 ? 111 GLN A OE1 1 ATOM 714 N NE2 . GLN A 1 91 ? -9.324 9.371 36.638 1.00 21.30 ? 111 GLN A NE2 1 ATOM 715 N N . ASN A 1 92 ? -7.798 3.791 35.857 1.00 12.42 ? 112 ASN A N 1 ATOM 716 C CA . ASN A 1 92 ? -7.916 2.880 36.981 1.00 13.92 ? 112 ASN A CA 1 ATOM 717 C C . ASN A 1 92 ? -6.638 2.071 37.241 1.00 13.27 ? 112 ASN A C 1 ATOM 718 O O . ASN A 1 92 ? -6.144 1.995 38.358 1.00 11.12 ? 112 ASN A O 1 ATOM 719 C CB . ASN A 1 92 ? -9.045 1.925 36.684 1.00 16.37 ? 112 ASN A CB 1 ATOM 720 C CG . ASN A 1 92 ? -9.476 1.164 37.870 1.00 22.29 ? 112 ASN A CG 1 ATOM 721 O OD1 . ASN A 1 92 ? -9.352 -0.062 37.913 1.00 26.04 ? 112 ASN A OD1 1 ATOM 722 N ND2 . ASN A 1 92 ? -9.986 1.865 38.848 1.00 26.12 ? 112 ASN A ND2 1 ATOM 723 N N . TYR A 1 93 ? -6.148 1.409 36.194 1.00 12.59 ? 113 TYR A N 1 ATOM 724 C CA . TYR A 1 93 ? -4.950 0.568 36.347 1.00 12.03 ? 113 TYR A CA 1 ATOM 725 C C . TYR A 1 93 ? -3.658 1.355 36.608 1.00 11.59 ? 113 TYR A C 1 ATOM 726 O O . TYR A 1 93 ? -2.812 0.897 37.421 1.00 12.05 ? 113 TYR A O 1 ATOM 727 C CB . TYR A 1 93 ? -4.838 -0.488 35.233 1.00 11.45 ? 113 TYR A CB 1 ATOM 728 C CG . TYR A 1 93 ? -6.038 -1.439 35.264 1.00 12.28 ? 113 TYR A CG 1 ATOM 729 C CD1 . TYR A 1 93 ? -6.318 -2.213 36.382 1.00 13.48 ? 113 TYR A CD1 1 ATOM 730 C CD2 . TYR A 1 93 ? -6.923 -1.519 34.192 1.00 13.21 ? 113 TYR A CD2 1 ATOM 731 C CE1 . TYR A 1 93 ? -7.436 -3.056 36.418 1.00 13.20 ? 113 TYR A CE1 1 ATOM 732 C CE2 . TYR A 1 93 ? -8.047 -2.334 34.223 1.00 13.97 ? 113 TYR A CE2 1 ATOM 733 C CZ . TYR A 1 93 ? -8.303 -3.100 35.341 1.00 13.24 ? 113 TYR A CZ 1 ATOM 734 O OH . TYR A 1 93 ? -9.407 -3.923 35.360 1.00 13.97 ? 113 TYR A OH 1 ATOM 735 N N . THR A 1 94 ? -3.563 2.543 36.039 1.00 11.17 ? 114 THR A N 1 ATOM 736 C CA . THR A 1 94 ? -2.444 3.440 36.372 1.00 11.48 ? 114 THR A CA 1 ATOM 737 C C . THR A 1 94 ? -2.493 3.815 37.878 1.00 12.29 ? 114 THR A C 1 ATOM 738 O O . THR A 1 94 ? -1.473 3.735 38.629 1.00 12.47 ? 114 THR A O 1 ATOM 739 C CB . THR A 1 94 ? -2.458 4.685 35.492 1.00 11.43 ? 114 THR A CB 1 ATOM 740 O OG1 . THR A 1 94 ? -2.294 4.318 34.081 1.00 10.44 ? 114 THR A OG1 1 ATOM 741 C CG2 . THR A 1 94 ? -1.366 5.679 35.953 1.00 12.17 ? 114 THR A CG2 1 ATOM 742 N N . ASN A 1 95 ? -3.663 4.184 38.334 1.00 12.14 ? 115 ASN A N 1 ATOM 743 C CA . ASN A 1 95 ? -3.803 4.582 39.734 1.00 14.06 ? 115 ASN A CA 1 ATOM 744 C C . ASN A 1 95 ? -3.554 3.501 40.734 1.00 15.18 ? 115 ASN A C 1 ATOM 745 O O . ASN A 1 95 ? -2.943 3.738 41.800 1.00 15.58 ? 115 ASN A O 1 ATOM 746 C CB . ASN A 1 95 ? -5.145 5.304 39.945 1.00 14.78 ? 115 ASN A CB 1 ATOM 747 C CG . ASN A 1 95 ? -5.160 6.690 39.311 1.00 15.72 ? 115 ASN A CG 1 ATOM 748 O OD1 . ASN A 1 95 ? -4.140 7.236 38.880 1.00 17.63 ? 115 ASN A OD1 1 ATOM 749 N ND2 . ASN A 1 95 ? -6.353 7.253 39.201 1.00 17.79 ? 115 ASN A ND2 1 ATOM 750 N N . ILE A 1 96 ? -3.946 2.281 40.408 1.00 14.08 ? 116 ILE A N 1 ATOM 751 C CA . ILE A 1 96 ? -3.567 1.150 41.196 1.00 14.68 ? 116 ILE A CA 1 ATOM 752 C C . ILE A 1 96 ? -2.050 1.012 41.312 1.00 15.16 ? 116 ILE A C 1 ATOM 753 O O . ILE A 1 96 ? -1.526 0.742 42.410 1.00 14.15 ? 116 ILE A O 1 ATOM 754 C CB . ILE A 1 96 ? -4.201 -0.166 40.641 1.00 15.24 ? 116 ILE A CB 1 ATOM 755 C CG1 . ILE A 1 96 ? -5.714 -0.150 40.871 1.00 15.68 ? 116 ILE A CG1 1 ATOM 756 C CG2 . ILE A 1 96 ? -3.570 -1.373 41.261 1.00 16.56 ? 116 ILE A CG2 1 ATOM 757 C CD1 . ILE A 1 96 ? -6.485 -1.224 40.085 1.00 17.43 ? 116 ILE A CD1 1 ATOM 758 N N . LEU A 1 97 ? -1.364 1.209 40.197 1.00 14.10 ? 117 LEU A N 1 ATOM 759 C CA . LEU A 1 97 ? 0.095 1.114 40.216 1.00 14.44 ? 117 LEU A CA 1 ATOM 760 C C . LEU A 1 97 ? 0.783 2.288 40.930 1.00 14.92 ? 117 LEU A C 1 ATOM 761 O O . LEU A 1 97 ? 1.859 2.098 41.527 1.00 15.30 ? 117 LEU A O 1 ATOM 762 C CB . LEU A 1 97 ? 0.642 0.990 38.818 1.00 15.07 ? 117 LEU A CB 1 ATOM 763 C CG . LEU A 1 97 ? 0.261 -0.319 38.141 1.00 15.02 ? 117 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 97 ? 0.582 -0.257 36.646 1.00 16.03 ? 117 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 97 ? 1.007 -1.481 38.783 1.00 15.40 ? 117 LEU A CD2 1 ATOM 766 N N . LEU A 1 98 ? 0.143 3.445 40.921 1.00 15.29 ? 118 LEU A N 1 ATOM 767 C CA . LEU A 1 98 ? 0.596 4.610 41.707 1.00 16.61 ? 118 LEU A CA 1 ATOM 768 C C . LEU A 1 98 ? 0.403 4.504 43.216 1.00 19.31 ? 118 LEU A C 1 ATOM 769 O O . LEU A 1 98 ? 1.232 4.993 43.997 1.00 18.73 ? 118 LEU A O 1 ATOM 770 C CB . LEU A 1 98 ? -0.106 5.889 41.195 1.00 15.48 ? 118 LEU A CB 1 ATOM 771 C CG . LEU A 1 98 ? 0.322 6.341 39.797 1.00 14.64 ? 118 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 98 ? -0.505 7.543 39.315 1.00 15.45 ? 118 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 98 ? 1.816 6.644 39.709 1.00 15.41 ? 118 LEU A CD2 1 ATOM 774 N N . GLU A 1 99 ? -0.677 3.835 43.612 1.00 19.39 ? 119 GLU A N 1 ATOM 775 C CA . GLU A 1 99 ? -1.112 3.759 44.985 1.00 20.59 ? 119 GLU A CA 1 ATOM 776 C C . GLU A 1 99 ? -0.627 2.504 45.643 1.00 20.30 ? 119 GLU A C 1 ATOM 777 O O . GLU A 1 99 ? -0.266 2.536 46.812 1.00 22.16 ? 119 GLU A O 1 ATOM 778 C CB . GLU A 1 99 ? -2.618 3.845 45.057 1.00 19.86 ? 119 GLU A CB 1 ATOM 779 C CG . GLU A 1 99 ? -3.134 5.191 44.597 1.00 20.10 ? 119 GLU A CG 1 ATOM 780 C CD . GLU A 1 99 ? -4.651 5.234 44.501 0.50 19.83 ? 119 GLU A CD 1 ATOM 781 O OE1 . GLU A 1 99 ? -5.175 6.221 43.968 0.50 21.25 ? 119 GLU A OE1 1 ATOM 782 O OE2 . GLU A 1 99 ? -5.304 4.271 44.925 0.50 19.32 ? 119 GLU A OE2 1 ATOM 783 N N . SER A 1 100 ? -0.602 1.387 44.923 1.00 20.36 ? 120 SER A N 1 ATOM 784 C CA . SER A 1 100 ? -0.322 0.081 45.509 1.00 18.88 ? 120 SER A CA 1 ATOM 785 C C . SER A 1 100 ? 0.413 -0.842 44.559 1.00 17.10 ? 120 SER A C 1 ATOM 786 O O . SER A 1 100 ? -0.058 -1.966 44.244 1.00 15.61 ? 120 SER A O 1 ATOM 787 C CB . SER A 1 100 ? -1.616 -0.610 45.978 1.00 21.59 ? 120 SER A CB 1 ATOM 788 O OG . SER A 1 100 ? -2.441 0.322 46.625 1.00 25.79 ? 120 SER A OG 1 ATOM 789 N N . PRO A 1 101 ? 1.622 -0.449 44.169 1.00 17.05 ? 121 PRO A N 1 ATOM 790 C CA . PRO A 1 101 ? 2.399 -1.246 43.198 1.00 17.21 ? 121 PRO A CA 1 ATOM 791 C C . PRO A 1 101 ? 2.810 -2.610 43.709 1.00 17.81 ? 121 PRO A C 1 ATOM 792 O O . PRO A 1 101 ? 3.046 -3.516 42.930 1.00 18.89 ? 121 PRO A O 1 ATOM 793 C CB . PRO A 1 101 ? 3.622 -0.365 42.915 1.00 17.35 ? 121 PRO A CB 1 ATOM 794 C CG . PRO A 1 101 ? 3.729 0.506 44.122 1.00 18.40 ? 121 PRO A CG 1 ATOM 795 C CD . PRO A 1 101 ? 2.315 0.790 44.546 1.00 17.97 ? 121 PRO A CD 1 ATOM 796 N N . ASN A 1 102 ? 2.893 -2.762 45.030 1.00 19.45 ? 122 ASN A N 1 ATOM 797 C CA . ASN A 1 102 ? 3.268 -4.012 45.627 1.00 19.98 ? 122 ASN A CA 1 ATOM 798 C C . ASN A 1 102 ? 2.076 -4.808 46.095 1.00 19.26 ? 122 ASN A C 1 ATOM 799 O O . ASN A 1 102 ? 2.264 -5.859 46.671 1.00 20.33 ? 122 ASN A O 1 ATOM 800 C CB . ASN A 1 102 ? 4.227 -3.752 46.791 1.00 23.85 ? 122 ASN A CB 1 ATOM 801 C CG . ASN A 1 102 ? 5.126 -4.934 47.094 1.00 23.87 ? 122 ASN A CG 1 ATOM 802 O OD1 . ASN A 1 102 ? 5.833 -5.434 46.238 1.00 26.37 ? 122 ASN A OD1 1 ATOM 803 N ND2 . ASN A 1 102 ? 5.116 -5.368 48.333 1.00 24.60 ? 122 ASN A ND2 1 ATOM 804 N N . GLY A 1 103 ? 0.866 -4.330 45.815 1.00 19.61 ? 123 GLY A N 1 ATOM 805 C CA . GLY A 1 103 ? -0.394 -4.987 46.230 1.00 20.22 ? 123 GLY A CA 1 ATOM 806 C C . GLY A 1 103 ? -0.793 -6.082 45.260 1.00 21.05 ? 123 GLY A C 1 ATOM 807 O O . GLY A 1 103 ? -0.138 -6.318 44.229 1.00 19.34 ? 123 GLY A O 1 ATOM 808 N N . SER A 1 104 ? -1.856 -6.780 45.591 1.00 21.12 ? 124 SER A N 1 ATOM 809 C CA . SER A 1 104 ? -2.246 -7.948 44.820 1.00 24.43 ? 124 SER A CA 1 ATOM 810 C C . SER A 1 104 ? -2.930 -7.559 43.479 1.00 22.35 ? 124 SER A C 1 ATOM 811 O O . SER A 1 104 ? -3.014 -8.391 42.629 1.00 25.14 ? 124 SER A O 1 ATOM 812 C CB . SER A 1 104 ? -3.206 -8.831 45.627 1.00 24.86 ? 124 SER A CB 1 ATOM 813 O OG . SER A 1 104 ? -4.375 -8.087 45.878 1.00 28.55 ? 124 SER A OG 1 ATOM 814 N N . GLU A 1 105 ? -3.400 -6.317 43.329 1.00 20.59 ? 125 GLU A N 1 ATOM 815 C CA . GLU A 1 105 ? -3.993 -5.858 42.080 1.00 19.23 ? 125 GLU A CA 1 ATOM 816 C C . GLU A 1 105 ? -2.942 -5.370 41.015 1.00 17.14 ? 125 GLU A C 1 ATOM 817 O O . GLU A 1 105 ? -3.256 -5.226 39.811 1.00 14.62 ? 125 GLU A O 1 ATOM 818 C CB . GLU A 1 105 ? -5.027 -4.776 42.331 1.00 21.67 ? 125 GLU A CB 1 ATOM 819 C CG . GLU A 1 105 ? -6.213 -5.141 43.231 1.00 25.03 ? 125 GLU A CG 1 ATOM 820 C CD . GLU A 1 105 ? -7.346 -4.107 43.216 0.50 26.55 ? 125 GLU A CD 1 ATOM 821 O OE1 . GLU A 1 105 ? -8.484 -4.507 42.913 0.50 30.82 ? 125 GLU A OE1 1 ATOM 822 O OE2 . GLU A 1 105 ? -7.142 -2.906 43.525 0.50 29.30 ? 125 GLU A OE2 1 ATOM 823 N N . ALA A 1 106 ? -1.699 -5.176 41.441 1.00 16.22 ? 126 ALA A N 1 ATOM 824 C CA . ALA A 1 106 ? -0.681 -4.564 40.595 1.00 15.45 ? 126 ALA A CA 1 ATOM 825 C C . ALA A 1 106 ? -0.285 -5.416 39.372 1.00 14.87 ? 126 ALA A C 1 ATOM 826 O O . ALA A 1 106 ? 0.013 -4.859 38.334 1.00 13.38 ? 126 ALA A O 1 ATOM 827 C CB . ALA A 1 106 ? 0.557 -4.238 41.433 1.00 15.30 ? 126 ALA A CB 1 ATOM 828 N N . LEU A 1 107 ? -0.270 -6.744 39.516 1.00 13.64 ? 127 LEU A N 1 ATOM 829 C CA . LEU A 1 107 ? 0.134 -7.599 38.449 1.00 13.55 ? 127 LEU A CA 1 ATOM 830 C C . LEU A 1 107 ? -0.790 -7.418 37.248 1.00 12.97 ? 127 LEU A C 1 ATOM 831 O O . LEU A 1 107 ? -0.341 -7.081 36.148 1.00 12.55 ? 127 LEU A O 1 ATOM 832 C CB . LEU A 1 107 ? 0.113 -9.080 38.880 1.00 14.92 ? 127 LEU A CB 1 ATOM 833 C CG . LEU A 1 107 ? 0.356 -10.119 37.810 1.00 14.39 ? 127 LEU A CG 1 ATOM 834 C CD1 . LEU A 1 107 ? 1.725 -10.017 37.133 1.00 15.03 ? 127 LEU A CD1 1 ATOM 835 C CD2 . LEU A 1 107 ? 0.220 -11.465 38.474 1.00 15.03 ? 127 LEU A CD2 1 ATOM 836 N N . ASN A 1 108 ? -2.082 -7.624 37.472 1.00 12.89 ? 128 ASN A N 1 ATOM 837 C CA . ASN A 1 108 ? -3.020 -7.411 36.391 1.00 12.77 ? 128 ASN A CA 1 ATOM 838 C C . ASN A 1 108 ? -3.071 -5.963 35.941 1.00 11.54 ? 128 ASN A C 1 ATOM 839 O O . ASN A 1 108 ? -3.217 -5.704 34.730 1.00 10.56 ? 128 ASN A O 1 ATOM 840 C CB . ASN A 1 108 ? -4.414 -7.916 36.748 1.00 13.85 ? 128 ASN A CB 1 ATOM 841 C CG . ASN A 1 108 ? -4.508 -9.427 36.815 1.00 15.11 ? 128 ASN A CG 1 ATOM 842 O OD1 . ASN A 1 108 ? -3.612 -10.168 36.518 1.00 16.10 ? 128 ASN A OD1 1 ATOM 843 N ND2 . ASN A 1 108 ? -5.683 -9.867 37.157 1.00 18.33 ? 128 ASN A ND2 1 ATOM 844 N N . ALA A 1 109 ? -2.942 -4.994 36.860 1.00 10.62 ? 129 ALA A N 1 ATOM 845 C CA . ALA A 1 109 ? -2.919 -3.615 36.448 1.00 11.03 ? 129 ALA A CA 1 ATOM 846 C C . ALA A 1 109 ? -1.801 -3.339 35.426 1.00 10.36 ? 129 ALA A C 1 ATOM 847 O O . ALA A 1 109 ? -2.030 -2.679 34.401 1.00 9.94 ? 129 ALA A O 1 ATOM 848 C CB . ALA A 1 109 ? -2.806 -2.651 37.657 1.00 10.87 ? 129 ALA A CB 1 ATOM 849 N N . LEU A 1 110 ? -0.607 -3.865 35.673 1.00 10.46 ? 130 LEU A N 1 ATOM 850 C CA . LEU A 1 110 ? 0.512 -3.645 34.757 1.00 10.24 ? 130 LEU A CA 1 ATOM 851 C C . LEU A 1 110 ? 0.300 -4.328 33.401 1.00 11.05 ? 130 LEU A C 1 ATOM 852 O O . LEU A 1 110 ? 0.547 -3.733 32.320 1.00 10.16 ? 130 LEU A O 1 ATOM 853 C CB . LEU A 1 110 ? 1.821 -4.049 35.422 1.00 10.60 ? 130 LEU A CB 1 ATOM 854 C CG . LEU A 1 110 ? 3.108 -3.953 34.613 1.00 10.88 ? 130 LEU A CG 1 ATOM 855 C CD1 . LEU A 1 110 ? 3.252 -2.553 34.113 1.00 11.95 ? 130 LEU A CD1 1 ATOM 856 C CD2 . LEU A 1 110 ? 4.352 -4.360 35.371 1.00 11.65 ? 130 LEU A CD2 1 ATOM 857 N N . LYS A 1 111 ? -0.237 -5.565 33.448 1.00 11.03 ? 131 LYS A N 1 ATOM 858 C CA . LYS A 1 111 ? -0.575 -6.311 32.222 1.00 11.80 ? 131 LYS A CA 1 ATOM 859 C C . LYS A 1 111 ? -1.590 -5.547 31.394 1.00 10.70 ? 131 LYS A C 1 ATOM 860 O O . LYS A 1 111 ? -1.425 -5.415 30.171 1.00 9.96 ? 131 LYS A O 1 ATOM 861 C CB . LYS A 1 111 ? -1.017 -7.753 32.542 1.00 12.59 ? 131 LYS A CB 1 ATOM 862 C CG . LYS A 1 111 ? 0.089 -8.570 33.201 1.00 13.80 ? 131 LYS A CG 1 ATOM 863 C CD . LYS A 1 111 ? -0.183 -10.057 33.131 1.00 15.67 ? 131 LYS A CD 1 ATOM 864 C CE . LYS A 1 111 ? -1.290 -10.460 34.061 1.00 18.07 ? 131 LYS A CE 1 ATOM 865 N NZ . LYS A 1 111 ? -1.303 -11.959 34.158 1.00 22.12 ? 131 LYS A NZ 1 ATOM 866 N N . PHE A 1 112 ? -2.596 -4.973 32.048 1.00 10.47 ? 132 PHE A N 1 ATOM 867 C CA . PHE A 1 112 ? -3.543 -4.142 31.355 1.00 10.28 ? 132 PHE A CA 1 ATOM 868 C C . PHE A 1 112 ? -2.949 -2.882 30.720 1.00 10.48 ? 132 PHE A C 1 ATOM 869 O O . PHE A 1 112 ? -3.266 -2.563 29.575 1.00 10.67 ? 132 PHE A O 1 ATOM 870 C CB . PHE A 1 112 ? -4.680 -3.724 32.297 1.00 10.70 ? 132 PHE A CB 1 ATOM 871 C CG . PHE A 1 112 ? -5.770 -4.753 32.445 1.00 10.87 ? 132 PHE A CG 1 ATOM 872 C CD1 . PHE A 1 112 ? -6.481 -5.222 31.348 1.00 11.01 ? 132 PHE A CD1 1 ATOM 873 C CD2 . PHE A 1 112 ? -6.146 -5.199 33.724 1.00 11.97 ? 132 PHE A CD2 1 ATOM 874 C CE1 . PHE A 1 112 ? -7.532 -6.133 31.509 1.00 11.07 ? 132 PHE A CE1 1 ATOM 875 C CE2 . PHE A 1 112 ? -7.163 -6.121 33.869 1.00 11.54 ? 132 PHE A CE2 1 ATOM 876 C CZ . PHE A 1 112 ? -7.891 -6.541 32.766 1.00 10.80 ? 132 PHE A CZ 1 ATOM 877 N N . VAL A 1 113 ? -2.132 -2.140 31.469 1.00 9.16 ? 133 VAL A N 1 ATOM 878 C CA . VAL A 1 113 ? -1.523 -0.929 30.959 1.00 9.33 ? 133 VAL A CA 1 ATOM 879 C C . VAL A 1 113 ? -0.679 -1.235 29.696 1.00 9.87 ? 133 VAL A C 1 ATOM 880 O O . VAL A 1 113 ? -0.780 -0.512 28.706 1.00 9.44 ? 133 VAL A O 1 ATOM 881 C CB . VAL A 1 113 ? -0.705 -0.214 32.030 1.00 9.63 ? 133 VAL A CB 1 ATOM 882 C CG1 . VAL A 1 113 ? 0.203 0.886 31.457 1.00 10.17 ? 133 VAL A CG1 1 ATOM 883 C CG2 . VAL A 1 113 ? -1.603 0.340 33.159 1.00 9.66 ? 133 VAL A CG2 1 ATOM 884 N N . VAL A 1 114 ? 0.158 -2.294 29.748 1.00 9.42 ? 134 VAL A N 1 ATOM 885 C CA . VAL A 1 114 ? 1.007 -2.669 28.626 1.00 9.39 ? 134 VAL A CA 1 ATOM 886 C C . VAL A 1 114 ? 0.134 -2.951 27.381 1.00 9.31 ? 134 VAL A C 1 ATOM 887 O O . VAL A 1 114 ? 0.430 -2.496 26.248 1.00 9.13 ? 134 VAL A O 1 ATOM 888 C CB . VAL A 1 114 ? 1.862 -3.894 28.991 1.00 9.94 ? 134 VAL A CB 1 ATOM 889 C CG1 . VAL A 1 114 ? 2.522 -4.453 27.760 1.00 9.82 ? 134 VAL A CG1 1 ATOM 890 C CG2 . VAL A 1 114 ? 2.882 -3.534 30.068 1.00 9.43 ? 134 VAL A CG2 1 ATOM 891 N N . HIS A 1 115 ? -0.960 -3.672 27.596 1.00 9.50 ? 135 HIS A N 1 ATOM 892 C CA . HIS A 1 115 ? -1.849 -4.055 26.517 1.00 9.02 ? 135 HIS A CA 1 ATOM 893 C C . HIS A 1 115 ? -2.656 -2.880 25.979 1.00 9.41 ? 135 HIS A C 1 ATOM 894 O O . HIS A 1 115 ? -2.663 -2.622 24.754 1.00 8.26 ? 135 HIS A O 1 ATOM 895 C CB . HIS A 1 115 ? -2.761 -5.170 26.958 1.00 8.99 ? 135 HIS A CB 1 ATOM 896 C CG . HIS A 1 115 ? -3.657 -5.665 25.865 1.00 9.03 ? 135 HIS A CG 1 ATOM 897 N ND1 . HIS A 1 115 ? -3.286 -6.670 24.997 1.00 9.43 ? 135 HIS A ND1 1 ATOM 898 C CD2 . HIS A 1 115 ? -4.898 -5.285 25.477 1.00 8.78 ? 135 HIS A CD2 1 ATOM 899 C CE1 . HIS A 1 115 ? -4.273 -6.910 24.143 1.00 8.83 ? 135 HIS A CE1 1 ATOM 900 N NE2 . HIS A 1 115 ? -5.253 -6.070 24.396 1.00 8.81 ? 135 HIS A NE2 1 ATOM 901 N N . ILE A 1 116 ? -3.297 -2.158 26.905 1.00 9.39 ? 136 ILE A N 1 ATOM 902 C CA . ILE A 1 116 ? -4.306 -1.164 26.498 1.00 9.59 ? 136 ILE A CA 1 ATOM 903 C C . ILE A 1 116 ? -3.668 0.102 25.863 1.00 9.89 ? 136 ILE A C 1 ATOM 904 O O . ILE A 1 116 ? -4.241 0.648 24.923 1.00 9.51 ? 136 ILE A O 1 ATOM 905 C CB . ILE A 1 116 ? -5.271 -0.854 27.643 1.00 10.26 ? 136 ILE A CB 1 ATOM 906 C CG1 . ILE A 1 116 ? -6.045 -2.138 28.059 1.00 10.15 ? 136 ILE A CG1 1 ATOM 907 C CG2 . ILE A 1 116 ? -6.216 0.292 27.315 1.00 10.55 ? 136 ILE A CG2 1 ATOM 908 C CD1 . ILE A 1 116 ? -6.866 -1.976 29.329 1.00 10.71 ? 136 ILE A CD1 1 ATOM 909 N N . ILE A 1 117 ? -2.464 0.512 26.285 1.00 9.36 ? 137 ILE A N 1 ATOM 910 C CA . ILE A 1 117 ? -1.797 1.608 25.573 1.00 9.78 ? 137 ILE A CA 1 ATOM 911 C C . ILE A 1 117 ? -1.552 1.193 24.083 1.00 9.84 ? 137 ILE A C 1 ATOM 912 O O . ILE A 1 117 ? -1.708 1.999 23.172 1.00 9.65 ? 137 ILE A O 1 ATOM 913 C CB . ILE A 1 117 ? -0.519 2.092 26.317 1.00 10.24 ? 137 ILE A CB 1 ATOM 914 C CG1 . ILE A 1 117 ? -0.941 2.700 27.686 1.00 10.89 ? 137 ILE A CG1 1 ATOM 915 C CG2 . ILE A 1 117 ? 0.278 3.059 25.481 1.00 10.34 ? 137 ILE A CG2 1 ATOM 916 C CD1 . ILE A 1 117 ? 0.193 3.264 28.549 1.00 11.31 ? 137 ILE A CD1 1 ATOM 917 N N . GLY A 1 118 ? -1.224 -0.099 23.870 1.00 9.25 ? 138 GLY A N 1 ATOM 918 C CA . GLY A 1 118 ? -1.201 -0.652 22.519 1.00 9.44 ? 138 GLY A CA 1 ATOM 919 C C . GLY A 1 118 ? -2.546 -0.460 21.811 1.00 9.40 ? 138 GLY A C 1 ATOM 920 O O . GLY A 1 118 ? -2.604 0.140 20.720 1.00 9.07 ? 138 GLY A O 1 ATOM 921 N N . ASP A 1 119 ? -3.617 -0.953 22.417 1.00 8.29 ? 139 ASP A N 1 ATOM 922 C CA . ASP A 1 119 ? -4.902 -0.873 21.767 1.00 8.45 ? 139 ASP A CA 1 ATOM 923 C C . ASP A 1 119 ? -5.367 0.567 21.405 1.00 8.33 ? 139 ASP A C 1 ATOM 924 O O . ASP A 1 119 ? -6.003 0.789 20.347 1.00 7.97 ? 139 ASP A O 1 ATOM 925 C CB . ASP A 1 119 ? -5.945 -1.551 22.662 1.00 8.57 ? 139 ASP A CB 1 ATOM 926 C CG . ASP A 1 119 ? -6.076 -2.991 22.374 1.00 8.62 ? 139 ASP A CG 1 ATOM 927 O OD1 . ASP A 1 119 ? -5.466 -3.467 21.387 1.00 8.43 ? 139 ASP A OD1 1 ATOM 928 O OD2 . ASP A 1 119 ? -6.775 -3.676 23.136 1.00 8.84 ? 139 ASP A OD2 1 ATOM 929 N N . ILE A 1 120 ? -5.053 1.512 22.278 1.00 8.79 ? 140 ILE A N 1 ATOM 930 C CA . ILE A 1 120 ? -5.461 2.955 22.069 1.00 9.70 ? 140 ILE A CA 1 ATOM 931 C C . ILE A 1 120 ? -4.848 3.491 20.784 1.00 9.00 ? 140 ILE A C 1 ATOM 932 O O . ILE A 1 120 ? -5.414 4.374 20.155 1.00 9.36 ? 140 ILE A O 1 ATOM 933 C CB . ILE A 1 120 ? -5.084 3.809 23.303 1.00 11.11 ? 140 ILE A CB 1 ATOM 934 C CG1 . ILE A 1 120 ? -6.035 3.462 24.447 1.00 11.32 ? 140 ILE A CG1 1 ATOM 935 C CG2 . ILE A 1 120 ? -5.218 5.305 23.005 1.00 13.55 ? 140 ILE A CG2 1 ATOM 936 C CD1 . ILE A 1 120 ? -5.566 3.903 25.832 1.00 13.18 ? 140 ILE A CD1 1 ATOM 937 N N . HIS A 1 121 ? -3.734 2.914 20.356 1.00 8.28 ? 141 HIS A N 1 ATOM 938 C CA . HIS A 1 121 ? -3.108 3.315 19.094 1.00 8.77 ? 141 HIS A CA 1 ATOM 939 C C . HIS A 1 121 ? -3.582 2.582 17.855 1.00 8.41 ? 141 HIS A C 1 ATOM 940 O O . HIS A 1 121 ? -3.102 2.919 16.782 1.00 9.04 ? 141 HIS A O 1 ATOM 941 C CB . HIS A 1 121 ? -1.565 3.304 19.228 1.00 8.55 ? 141 HIS A CB 1 ATOM 942 C CG . HIS A 1 121 ? -1.066 4.348 20.174 1.00 8.31 ? 141 HIS A CG 1 ATOM 943 N ND1 . HIS A 1 121 ? -1.094 4.195 21.541 1.00 8.56 ? 141 HIS A ND1 1 ATOM 944 C CD2 . HIS A 1 121 ? -0.548 5.581 19.958 1.00 9.22 ? 141 HIS A CD2 1 ATOM 945 C CE1 . HIS A 1 121 ? -0.621 5.280 22.122 1.00 8.94 ? 141 HIS A CE1 1 ATOM 946 N NE2 . HIS A 1 121 ? -0.287 6.138 21.188 1.00 8.44 ? 141 HIS A NE2 1 ATOM 947 N N . GLN A 1 122 ? -4.525 1.625 17.966 1.00 8.19 ? 142 GLN A N 1 ATOM 948 C CA . GLN A 1 122 ? -5.087 0.942 16.776 1.00 8.82 ? 142 GLN A CA 1 ATOM 949 C C . GLN A 1 122 ? -6.316 1.760 16.455 1.00 8.92 ? 142 GLN A C 1 ATOM 950 O O . GLN A 1 122 ? -7.284 1.780 17.256 1.00 8.76 ? 142 GLN A O 1 ATOM 951 C CB . GLN A 1 122 ? -5.446 -0.519 17.139 1.00 8.51 ? 142 GLN A CB 1 ATOM 952 C CG . GLN A 1 122 ? -5.440 -1.514 16.001 1.00 8.62 ? 142 GLN A CG 1 ATOM 953 C CD . GLN A 1 122 ? -6.570 -1.305 15.001 1.00 8.65 ? 142 GLN A CD 1 ATOM 954 O OE1 . GLN A 1 122 ? -6.800 -0.229 14.469 1.00 8.85 ? 142 GLN A OE1 1 ATOM 955 N NE2 . GLN A 1 122 ? -7.260 -2.377 14.721 1.00 8.73 ? 142 GLN A NE2 1 ATOM 956 N N . PRO A 1 123 ? -6.293 2.489 15.311 1.00 9.31 ? 143 PRO A N 1 ATOM 957 C CA . PRO A 1 123 ? -7.395 3.422 15.062 1.00 9.54 ? 143 PRO A CA 1 ATOM 958 C C . PRO A 1 123 ? -8.777 2.806 15.164 1.00 9.61 ? 143 PRO A C 1 ATOM 959 O O . PRO A 1 123 ? -9.668 3.458 15.680 1.00 9.67 ? 143 PRO A O 1 ATOM 960 C CB . PRO A 1 123 ? -7.124 3.905 13.645 1.00 9.50 ? 143 PRO A CB 1 ATOM 961 C CG . PRO A 1 123 ? -5.645 3.808 13.472 1.00 9.46 ? 143 PRO A CG 1 ATOM 962 C CD . PRO A 1 123 ? -5.308 2.541 14.216 1.00 9.46 ? 143 PRO A CD 1 ATOM 963 N N . LEU A 1 124 ? -8.950 1.569 14.704 1.00 9.68 ? 144 LEU A N 1 ATOM 964 C CA . LEU A 1 124 ? -10.253 0.924 14.790 1.00 10.07 ? 144 LEU A CA 1 ATOM 965 C C . LEU A 1 124 ? -10.630 0.402 16.184 1.00 10.68 ? 144 LEU A C 1 ATOM 966 O O . LEU A 1 124 ? -11.794 0.017 16.386 1.00 11.86 ? 144 LEU A O 1 ATOM 967 C CB . LEU A 1 124 ? -10.408 -0.178 13.760 1.00 9.60 ? 144 LEU A CB 1 ATOM 968 C CG . LEU A 1 124 ? -10.576 0.229 12.319 1.00 10.17 ? 144 LEU A CG 1 ATOM 969 C CD1 . LEU A 1 124 ? -10.551 -0.960 11.369 1.00 10.32 ? 144 LEU A CD1 1 ATOM 970 C CD2 . LEU A 1 124 ? -11.861 1.044 12.185 1.00 10.15 ? 144 LEU A CD2 1 ATOM 971 N N . HIS A 1 125 ? -9.685 0.423 17.146 1.00 10.02 ? 145 HIS A N 1 ATOM 972 C CA . HIS A 1 125 ? -10.064 0.329 18.545 1.00 9.79 ? 145 HIS A CA 1 ATOM 973 C C . HIS A 1 125 ? -10.626 1.636 19.111 1.00 9.92 ? 145 HIS A C 1 ATOM 974 O O . HIS A 1 125 ? -11.085 1.687 20.318 1.00 10.90 ? 145 HIS A O 1 ATOM 975 C CB . HIS A 1 125 ? -8.874 -0.170 19.353 1.00 9.77 ? 145 HIS A CB 1 ATOM 976 C CG . HIS A 1 125 ? -8.692 -1.663 19.292 1.00 10.22 ? 145 HIS A CG 1 ATOM 977 N ND1 . HIS A 1 125 ? -8.693 -2.438 20.426 1.00 10.32 ? 145 HIS A ND1 1 ATOM 978 C CD2 . HIS A 1 125 ? -8.503 -2.514 18.259 1.00 9.96 ? 145 HIS A CD2 1 ATOM 979 C CE1 . HIS A 1 125 ? -8.530 -3.702 20.108 1.00 10.08 ? 145 HIS A CE1 1 ATOM 980 N NE2 . HIS A 1 125 ? -8.425 -3.771 18.790 1.00 10.08 ? 145 HIS A NE2 1 ATOM 981 N N . ASP A 1 126 ? -10.620 2.695 18.290 1.00 9.65 ? 146 ASP A N 1 ATOM 982 C CA . ASP A 1 126 ? -11.097 3.996 18.692 1.00 10.47 ? 146 ASP A CA 1 ATOM 983 C C . ASP A 1 126 ? -12.241 4.477 17.808 1.00 10.36 ? 146 ASP A C 1 ATOM 984 O O . ASP A 1 126 ? -12.293 5.662 17.495 1.00 10.04 ? 146 ASP A O 1 ATOM 985 C CB . ASP A 1 126 ? -9.979 5.050 18.698 1.00 10.93 ? 146 ASP A CB 1 ATOM 986 C CG . ASP A 1 126 ? -8.747 4.649 19.553 1.00 12.73 ? 146 ASP A CG 1 ATOM 987 O OD1 . ASP A 1 126 ? -8.890 3.950 20.594 1.00 16.82 ? 146 ASP A OD1 1 ATOM 988 O OD2 . ASP A 1 126 ? -7.615 4.957 19.121 1.00 12.37 ? 146 ASP A OD2 1 ATOM 989 N N . GLU A 1 127 ? -13.126 3.554 17.405 1.00 9.84 ? 147 GLU A N 1 ATOM 990 C CA . GLU A 1 127 ? -14.147 3.861 16.424 1.00 10.46 ? 147 GLU A CA 1 ATOM 991 C C . GLU A 1 127 ? -15.346 2.973 16.607 1.00 10.86 ? 147 GLU A C 1 ATOM 992 O O . GLU A 1 127 ? -15.175 1.771 16.684 1.00 10.99 ? 147 GLU A O 1 ATOM 993 C CB . GLU A 1 127 ? -13.563 3.593 15.038 1.00 10.88 ? 147 GLU A CB 1 ATOM 994 C CG . GLU A 1 127 ? -14.514 3.777 13.848 1.00 11.31 ? 147 GLU A CG 1 ATOM 995 C CD . GLU A 1 127 ? -15.305 5.066 13.889 1.00 10.92 ? 147 GLU A CD 1 ATOM 996 O OE1 . GLU A 1 127 ? -14.691 6.171 14.022 1.00 11.25 ? 147 GLU A OE1 1 ATOM 997 O OE2 . GLU A 1 127 ? -16.545 4.964 13.788 1.00 9.99 ? 147 GLU A OE2 1 ATOM 998 N N . ASN A 1 128 ? -16.541 3.555 16.637 1.00 10.48 ? 148 ASN A N 1 ATOM 999 C CA . ASN A 1 128 ? -17.746 2.800 16.826 1.00 11.78 ? 148 ASN A CA 1 ATOM 1000 C C . ASN A 1 128 ? -18.218 1.980 15.605 1.00 11.59 ? 148 ASN A C 1 ATOM 1001 O O . ASN A 1 128 ? -18.799 0.897 15.789 1.00 12.57 ? 148 ASN A O 1 ATOM 1002 C CB . ASN A 1 128 ? -18.889 3.744 17.269 1.00 11.99 ? 148 ASN A CB 1 ATOM 1003 C CG . ASN A 1 128 ? -20.116 2.988 17.732 1.00 12.60 ? 148 ASN A CG 1 ATOM 1004 O OD1 . ASN A 1 128 ? -20.048 2.260 18.710 1.00 12.92 ? 148 ASN A OD1 1 ATOM 1005 N ND2 . ASN A 1 128 ? -21.228 3.118 16.995 1.00 13.42 ? 148 ASN A ND2 1 ATOM 1006 N N . LEU A 1 129 ? -17.995 2.520 14.408 1.00 12.64 ? 149 LEU A N 1 ATOM 1007 C CA . LEU A 1 129 ? -18.580 2.022 13.164 1.00 13.29 ? 149 LEU A CA 1 ATOM 1008 C C . LEU A 1 129 ? -18.484 0.512 13.012 1.00 13.79 ? 149 LEU A C 1 ATOM 1009 O O . LEU A 1 129 ? -17.381 -0.062 13.023 1.00 11.29 ? 149 LEU A O 1 ATOM 1010 C CB . LEU A 1 129 ? -17.904 2.661 11.938 1.00 14.50 ? 149 LEU A CB 1 ATOM 1011 C CG . LEU A 1 129 ? -18.522 2.251 10.586 1.00 16.11 ? 149 LEU A CG 1 ATOM 1012 C CD1 . LEU A 1 129 ? -19.935 2.830 10.425 1.00 17.14 ? 149 LEU A CD1 1 ATOM 1013 C CD2 . LEU A 1 129 ? -17.668 2.697 9.389 1.00 17.50 ? 149 LEU A CD2 1 ATOM 1014 N N . GLU A 1 130 ? -19.655 -0.114 12.924 1.00 14.15 ? 150 GLU A N 1 ATOM 1015 C CA A GLU A 1 130 ? -19.732 -1.548 12.704 0.50 14.68 ? 150 GLU A CA 1 ATOM 1016 C CA B GLU A 1 130 ? -19.767 -1.541 12.728 0.50 14.61 ? 150 GLU A CA 1 ATOM 1017 C C . GLU A 1 130 ? -18.848 -2.331 13.656 1.00 13.98 ? 150 GLU A C 1 ATOM 1018 O O . GLU A 1 130 ? -18.118 -3.244 13.226 1.00 14.16 ? 150 GLU A O 1 ATOM 1019 C CB A GLU A 1 130 ? -19.341 -1.871 11.250 0.50 16.44 ? 150 GLU A CB 1 ATOM 1020 C CB B GLU A 1 130 ? -19.564 -1.845 11.233 0.50 16.34 ? 150 GLU A CB 1 ATOM 1021 C CG A GLU A 1 130 ? -20.245 -1.284 10.179 0.50 17.81 ? 150 GLU A CG 1 ATOM 1022 C CG B GLU A 1 130 ? -20.565 -1.084 10.357 0.50 18.02 ? 150 GLU A CG 1 ATOM 1023 C CD A GLU A 1 130 ? -21.620 -1.934 10.151 0.50 20.78 ? 150 GLU A CD 1 ATOM 1024 C CD B GLU A 1 130 ? -20.715 -1.604 8.944 0.50 20.50 ? 150 GLU A CD 1 ATOM 1025 O OE1 A GLU A 1 130 ? -22.089 -2.248 9.036 0.50 21.96 ? 150 GLU A OE1 1 ATOM 1026 O OE1 B GLU A 1 130 ? -20.539 -2.835 8.727 0.50 22.26 ? 150 GLU A OE1 1 ATOM 1027 O OE2 A GLU A 1 130 ? -22.259 -2.096 11.220 0.50 23.68 ? 150 GLU A OE2 1 ATOM 1028 O OE2 B GLU A 1 130 ? -21.067 -0.770 8.057 0.50 22.84 ? 150 GLU A OE2 1 ATOM 1029 N N . ALA A 1 131 ? -18.898 -2.004 14.950 1.00 13.62 ? 151 ALA A N 1 ATOM 1030 C CA . ALA A 1 131 ? -18.095 -2.691 15.975 1.00 13.19 ? 151 ALA A CA 1 ATOM 1031 C C . ALA A 1 131 ? -16.593 -2.609 15.651 1.00 12.31 ? 151 ALA A C 1 ATOM 1032 O O . ALA A 1 131 ? -15.897 -3.606 15.531 1.00 11.81 ? 151 ALA A O 1 ATOM 1033 C CB . ALA A 1 131 ? -18.532 -4.152 16.167 1.00 14.63 ? 151 ALA A CB 1 ATOM 1034 N N . GLY A 1 132 ? -16.112 -1.399 15.475 1.00 11.08 ? 152 GLY A N 1 ATOM 1035 C CA . GLY A 1 132 ? -14.712 -1.162 15.132 1.00 10.78 ? 152 GLY A CA 1 ATOM 1036 C C . GLY A 1 132 ? -14.305 -1.746 13.809 1.00 10.89 ? 152 GLY A C 1 ATOM 1037 O O . GLY A 1 132 ? -13.174 -2.200 13.654 1.00 10.13 ? 152 GLY A O 1 ATOM 1038 N N . GLY A 1 133 ? -15.254 -1.792 12.860 1.00 10.67 ? 153 GLY A N 1 ATOM 1039 C CA . GLY A 1 133 ? -15.031 -2.436 11.590 1.00 10.97 ? 153 GLY A CA 1 ATOM 1040 C C . GLY A 1 133 ? -15.053 -3.946 11.570 1.00 11.84 ? 153 GLY A C 1 ATOM 1041 O O . GLY A 1 133 ? -14.815 -4.539 10.519 1.00 12.28 ? 153 GLY A O 1 ATOM 1042 N N . ASN A 1 134 ? -15.323 -4.584 12.713 1.00 13.22 ? 154 ASN A N 1 ATOM 1043 C CA A ASN A 1 134 ? -15.454 -6.032 12.724 0.80 15.13 ? 154 ASN A CA 1 ATOM 1044 C CA B ASN A 1 134 ? -15.454 -6.050 12.744 0.20 13.48 ? 154 ASN A CA 1 ATOM 1045 C C . ASN A 1 134 ? -16.618 -6.493 11.825 1.00 15.08 ? 154 ASN A C 1 ATOM 1046 O O . ASN A 1 134 ? -16.565 -7.604 11.212 1.00 14.65 ? 154 ASN A O 1 ATOM 1047 C CB A ASN A 1 134 ? -15.646 -6.547 14.121 0.80 17.23 ? 154 ASN A CB 1 ATOM 1048 C CB B ASN A 1 134 ? -15.630 -6.596 14.181 0.20 13.11 ? 154 ASN A CB 1 ATOM 1049 C CG A ASN A 1 134 ? -15.203 -7.965 14.243 0.80 20.75 ? 154 ASN A CG 1 ATOM 1050 C CG B ASN A 1 134 ? -14.328 -6.572 15.007 0.20 12.74 ? 154 ASN A CG 1 ATOM 1051 O OD1 A ASN A 1 134 ? -13.979 -8.270 14.313 0.80 24.13 ? 154 ASN A OD1 1 ATOM 1052 O OD1 B ASN A 1 134 ? -13.460 -7.436 14.873 0.20 11.99 ? 154 ASN A OD1 1 ATOM 1053 N ND2 A ASN A 1 134 ? -16.163 -8.853 14.250 0.80 21.72 ? 154 ASN A ND2 1 ATOM 1054 N ND2 B ASN A 1 134 ? -14.205 -5.582 15.872 0.20 12.51 ? 154 ASN A ND2 1 ATOM 1055 N N . GLY A 1 135 ? -17.671 -5.662 11.737 1.00 14.40 ? 155 GLY A N 1 ATOM 1056 C CA . GLY A 1 135 ? -18.820 -5.985 10.874 1.00 15.59 ? 155 GLY A CA 1 ATOM 1057 C C . GLY A 1 135 ? -18.620 -5.758 9.370 1.00 15.35 ? 155 GLY A C 1 ATOM 1058 O O . GLY A 1 135 ? -19.558 -5.953 8.607 1.00 17.00 ? 155 GLY A O 1 ATOM 1059 N N . ILE A 1 136 ? -17.462 -5.243 8.946 1.00 13.56 ? 156 ILE A N 1 ATOM 1060 C CA . ILE A 1 136 ? -17.162 -4.891 7.557 1.00 14.44 ? 156 ILE A CA 1 ATOM 1061 C C . ILE A 1 136 ? -16.322 -6.015 6.990 1.00 15.93 ? 156 ILE A C 1 ATOM 1062 O O . ILE A 1 136 ? -15.094 -6.050 7.153 1.00 14.49 ? 156 ILE A O 1 ATOM 1063 C CB . ILE A 1 136 ? -16.419 -3.537 7.449 1.00 14.87 ? 156 ILE A CB 1 ATOM 1064 C CG1 . ILE A 1 136 ? -17.271 -2.424 8.108 1.00 15.57 ? 156 ILE A CG1 1 ATOM 1065 C CG2 . ILE A 1 136 ? -16.072 -3.155 5.998 1.00 14.39 ? 156 ILE A CG2 1 ATOM 1066 C CD1 . ILE A 1 136 ? -16.630 -1.061 8.109 1.00 17.23 ? 156 ILE A CD1 1 ATOM 1067 N N . ASP A 1 137 ? -16.985 -6.945 6.300 1.00 16.35 ? 157 ASP A N 1 ATOM 1068 C CA . ASP A 1 137 ? -16.271 -8.025 5.637 1.00 17.34 ? 157 ASP A CA 1 ATOM 1069 C C . ASP A 1 137 ? -15.490 -7.489 4.482 1.00 14.43 ? 157 ASP A C 1 ATOM 1070 O O . ASP A 1 137 ? -15.970 -6.627 3.764 1.00 17.29 ? 157 ASP A O 1 ATOM 1071 C CB . ASP A 1 137 ? -17.258 -9.080 5.113 1.00 20.40 ? 157 ASP A CB 1 ATOM 1072 C CG . ASP A 1 137 ? -17.814 -9.952 6.226 1.00 25.71 ? 157 ASP A CG 1 ATOM 1073 O OD1 . ASP A 1 137 ? -17.226 -10.020 7.353 1.00 24.04 ? 157 ASP A OD1 1 ATOM 1074 O OD2 . ASP A 1 137 ? -18.814 -10.611 5.922 1.00 35.50 ? 157 ASP A OD2 1 ATOM 1075 N N . VAL A 1 138 ? -14.283 -7.987 4.315 1.00 13.23 ? 158 VAL A N 1 ATOM 1076 C CA . VAL A 1 138 ? -13.369 -7.574 3.239 1.00 12.89 ? 158 VAL A CA 1 ATOM 1077 C C . VAL A 1 138 ? -12.618 -8.758 2.663 1.00 13.12 ? 158 VAL A C 1 ATOM 1078 O O . VAL A 1 138 ? -12.576 -9.860 3.255 1.00 14.33 ? 158 VAL A O 1 ATOM 1079 C CB . VAL A 1 138 ? -12.318 -6.545 3.737 1.00 12.76 ? 158 VAL A CB 1 ATOM 1080 C CG1 . VAL A 1 138 ? -12.952 -5.304 4.266 1.00 12.73 ? 158 VAL A CG1 1 ATOM 1081 C CG2 . VAL A 1 138 ? -11.371 -7.126 4.816 1.00 12.75 ? 158 VAL A CG2 1 ATOM 1082 N N . THR A 1 139 ? -12.008 -8.552 1.498 1.00 13.56 ? 159 THR A N 1 ATOM 1083 C CA . THR A 1 139 ? -11.089 -9.527 0.917 1.00 13.67 ? 159 THR A CA 1 ATOM 1084 C C . THR A 1 139 ? -9.652 -9.048 1.143 1.00 13.42 ? 159 THR A C 1 ATOM 1085 O O . THR A 1 139 ? -9.339 -7.915 0.871 1.00 13.27 ? 159 THR A O 1 ATOM 1086 C CB . THR A 1 139 ? -11.306 -9.704 -0.604 1.00 14.89 ? 159 THR A CB 1 ATOM 1087 O OG1 . THR A 1 139 ? -12.647 -10.065 -0.830 1.00 15.23 ? 159 THR A OG1 1 ATOM 1088 C CG2 . THR A 1 139 ? -10.395 -10.746 -1.221 1.00 15.01 ? 159 THR A CG2 1 ATOM 1089 N N . TYR A 1 140 ? -8.822 -9.943 1.640 1.00 14.10 ? 160 TYR A N 1 ATOM 1090 C CA . TYR A 1 140 ? -7.415 -9.683 1.853 1.00 14.78 ? 160 TYR A CA 1 ATOM 1091 C C . TYR A 1 140 ? -6.662 -10.928 1.347 1.00 14.80 ? 160 TYR A C 1 ATOM 1092 O O . TYR A 1 140 ? -6.815 -12.075 1.845 1.00 15.17 ? 160 TYR A O 1 ATOM 1093 C CB . TYR A 1 140 ? -7.125 -9.408 3.376 1.00 14.54 ? 160 TYR A CB 1 ATOM 1094 C CG . TYR A 1 140 ? -5.808 -8.768 3.567 1.00 14.73 ? 160 TYR A CG 1 ATOM 1095 C CD1 . TYR A 1 140 ? -4.648 -9.547 3.684 1.00 15.14 ? 160 TYR A CD1 1 ATOM 1096 C CD2 . TYR A 1 140 ? -5.668 -7.391 3.549 1.00 13.36 ? 160 TYR A CD2 1 ATOM 1097 C CE1 . TYR A 1 140 ? -3.393 -8.944 3.799 1.00 15.26 ? 160 TYR A CE1 1 ATOM 1098 C CE2 . TYR A 1 140 ? -4.416 -6.796 3.678 1.00 13.32 ? 160 TYR A CE2 1 ATOM 1099 C CZ . TYR A 1 140 ? -3.302 -7.574 3.800 1.00 14.68 ? 160 TYR A CZ 1 ATOM 1100 O OH . TYR A 1 140 ? -2.094 -6.953 3.910 1.00 15.89 ? 160 TYR A OH 1 ATOM 1101 N N . ASP A 1 141 ? -5.860 -10.697 0.316 1.00 16.71 ? 161 ASP A N 1 ATOM 1102 C CA . ASP A 1 141 ? -5.023 -11.713 -0.317 1.00 17.69 ? 161 ASP A CA 1 ATOM 1103 C C . ASP A 1 141 ? -5.898 -12.911 -0.770 1.00 17.67 ? 161 ASP A C 1 ATOM 1104 O O . ASP A 1 141 ? -5.589 -14.043 -0.521 1.00 18.18 ? 161 ASP A O 1 ATOM 1105 C CB . ASP A 1 141 ? -3.852 -12.089 0.606 1.00 20.31 ? 161 ASP A CB 1 ATOM 1106 C CG . ASP A 1 141 ? -2.744 -12.904 -0.136 1.00 24.81 ? 161 ASP A CG 1 ATOM 1107 O OD1 . ASP A 1 141 ? -2.637 -12.819 -1.378 1.00 26.41 ? 161 ASP A OD1 1 ATOM 1108 O OD2 . ASP A 1 141 ? -2.051 -13.665 0.531 1.00 28.49 ? 161 ASP A OD2 1 ATOM 1109 N N . GLY A 1 142 ? -7.012 -12.616 -1.416 1.00 17.90 ? 162 GLY A N 1 ATOM 1110 C CA . GLY A 1 142 ? -7.976 -13.666 -1.849 1.00 18.71 ? 162 GLY A CA 1 ATOM 1111 C C . GLY A 1 142 ? -8.834 -14.375 -0.817 1.00 20.67 ? 162 GLY A C 1 ATOM 1112 O O . GLY A 1 142 ? -9.602 -15.273 -1.177 1.00 19.86 ? 162 GLY A O 1 ATOM 1113 N N . GLU A 1 143 ? -8.752 -13.969 0.456 1.00 20.36 ? 163 GLU A N 1 ATOM 1114 C CA . GLU A 1 143 ? -9.492 -14.600 1.533 1.00 21.03 ? 163 GLU A CA 1 ATOM 1115 C C . GLU A 1 143 ? -10.442 -13.586 2.142 1.00 19.55 ? 163 GLU A C 1 ATOM 1116 O O . GLU A 1 143 ? -10.132 -12.406 2.198 1.00 17.78 ? 163 GLU A O 1 ATOM 1117 C CB . GLU A 1 143 ? -8.563 -15.165 2.599 1.00 24.07 ? 163 GLU A CB 1 ATOM 1118 C CG . GLU A 1 143 ? -7.702 -16.342 2.115 1.00 29.18 ? 163 GLU A CG 1 ATOM 1119 C CD . GLU A 1 143 ? -8.505 -17.617 1.837 0.50 28.48 ? 163 GLU A CD 1 ATOM 1120 O OE1 . GLU A 1 143 ? -8.207 -18.285 0.839 0.50 31.10 ? 163 GLU A OE1 1 ATOM 1121 O OE2 . GLU A 1 143 ? -9.433 -17.969 2.602 0.50 30.62 ? 163 GLU A OE2 1 ATOM 1122 N N . THR A 1 144 ? -11.591 -14.083 2.595 1.00 16.54 ? 164 THR A N 1 ATOM 1123 C CA . THR A 1 144 ? -12.582 -13.285 3.261 1.00 16.97 ? 164 THR A CA 1 ATOM 1124 C C . THR A 1 144 ? -12.139 -13.114 4.743 1.00 15.44 ? 164 THR A C 1 ATOM 1125 O O . THR A 1 144 ? -11.863 -14.069 5.429 1.00 15.92 ? 164 THR A O 1 ATOM 1126 C CB . THR A 1 144 ? -13.958 -13.927 3.210 1.00 18.37 ? 164 THR A CB 1 ATOM 1127 O OG1 . THR A 1 144 ? -14.419 -13.909 1.856 1.00 20.00 ? 164 THR A OG1 1 ATOM 1128 C CG2 . THR A 1 144 ? -14.957 -13.104 4.004 1.00 19.73 ? 164 THR A CG2 1 ATOM 1129 N N . THR A 1 145 ? -12.131 -11.870 5.210 1.00 14.93 ? 165 THR A N 1 ATOM 1130 C CA . THR A 1 145 ? -11.903 -11.548 6.607 1.00 13.57 ? 165 THR A CA 1 ATOM 1131 C C . THR A 1 145 ? -12.697 -10.255 6.903 1.00 13.19 ? 165 THR A C 1 ATOM 1132 O O . THR A 1 145 ? -13.660 -9.957 6.228 1.00 12.88 ? 165 THR A O 1 ATOM 1133 C CB . THR A 1 145 ? -10.388 -11.433 6.887 1.00 14.66 ? 165 THR A CB 1 ATOM 1134 O OG1 . THR A 1 145 ? -10.164 -11.150 8.280 1.00 15.30 ? 165 THR A OG1 1 ATOM 1135 C CG2 . THR A 1 145 ? -9.764 -10.410 6.032 1.00 14.73 ? 165 THR A CG2 1 ATOM 1136 N N . ASN A 1 146 ? -12.286 -9.456 7.876 1.00 12.06 ? 166 ASN A N 1 ATOM 1137 C CA . ASN A 1 146 ? -12.955 -8.198 8.110 1.00 11.76 ? 166 ASN A CA 1 ATOM 1138 C C . ASN A 1 146 ? -11.934 -7.103 8.335 1.00 11.19 ? 166 ASN A C 1 ATOM 1139 O O . ASN A 1 146 ? -10.746 -7.347 8.572 1.00 11.09 ? 166 ASN A O 1 ATOM 1140 C CB . ASN A 1 146 ? -14.003 -8.310 9.266 1.00 11.88 ? 166 ASN A CB 1 ATOM 1141 C CG . ASN A 1 146 ? -13.362 -8.544 10.597 1.00 11.95 ? 166 ASN A CG 1 ATOM 1142 O OD1 . ASN A 1 146 ? -12.641 -7.665 11.155 1.00 11.49 ? 166 ASN A OD1 1 ATOM 1143 N ND2 . ASN A 1 146 ? -13.617 -9.711 11.157 1.00 12.06 ? 166 ASN A ND2 1 ATOM 1144 N N . LEU A 1 147 ? -12.419 -5.872 8.210 1.00 11.62 ? 167 LEU A N 1 ATOM 1145 C CA . LEU A 1 147 ? -11.568 -4.715 8.254 1.00 11.59 ? 167 LEU A CA 1 ATOM 1146 C C . LEU A 1 147 ? -10.813 -4.598 9.582 1.00 10.99 ? 167 LEU A C 1 ATOM 1147 O O . LEU A 1 147 ? -9.627 -4.257 9.600 1.00 10.71 ? 167 LEU A O 1 ATOM 1148 C CB . LEU A 1 147 ? -12.388 -3.444 8.014 1.00 12.39 ? 167 LEU A CB 1 ATOM 1149 C CG . LEU A 1 147 ? -11.540 -2.197 7.798 1.00 13.25 ? 167 LEU A CG 1 ATOM 1150 C CD1 . LEU A 1 147 ? -10.653 -2.343 6.531 1.00 13.82 ? 167 LEU A CD1 1 ATOM 1151 C CD2 . LEU A 1 147 ? -12.454 -1.003 7.668 1.00 14.78 ? 167 LEU A CD2 1 ATOM 1152 N N . HIS A 1 148 ? -11.499 -4.884 10.689 1.00 11.27 ? 168 HIS A N 1 ATOM 1153 C CA . HIS A 1 148 ? -10.810 -4.886 11.973 1.00 10.85 ? 168 HIS A CA 1 ATOM 1154 C C . HIS A 1 148 ? -9.618 -5.851 12.027 1.00 11.12 ? 168 HIS A C 1 ATOM 1155 O O . HIS A 1 148 ? -8.537 -5.516 12.547 1.00 11.11 ? 168 HIS A O 1 ATOM 1156 C CB . HIS A 1 148 ? -11.768 -5.189 13.101 1.00 12.10 ? 168 HIS A CB 1 ATOM 1157 C CG . HIS A 1 148 ? -11.190 -4.898 14.443 1.00 11.04 ? 168 HIS A CG 1 ATOM 1158 N ND1 . HIS A 1 148 ? -11.436 -3.734 15.129 1.00 11.04 ? 168 HIS A ND1 1 ATOM 1159 C CD2 . HIS A 1 148 ? -10.340 -5.611 15.199 1.00 11.21 ? 168 HIS A CD2 1 ATOM 1160 C CE1 . HIS A 1 148 ? -10.760 -3.744 16.263 1.00 10.98 ? 168 HIS A CE1 1 ATOM 1161 N NE2 . HIS A 1 148 ? -10.075 -4.877 16.319 1.00 10.81 ? 168 HIS A NE2 1 ATOM 1162 N N . HIS A 1 149 ? -9.868 -7.088 11.557 1.00 10.99 ? 169 HIS A N 1 ATOM 1163 C CA . HIS A 1 149 ? -8.909 -8.152 11.582 1.00 11.46 ? 169 HIS A CA 1 ATOM 1164 C C . HIS A 1 149 ? -7.634 -7.795 10.783 1.00 11.01 ? 169 HIS A C 1 ATOM 1165 O O . HIS A 1 149 ? -6.499 -8.098 11.246 1.00 10.63 ? 169 HIS A O 1 ATOM 1166 C CB . HIS A 1 149 ? -9.589 -9.419 11.021 1.00 12.73 ? 169 HIS A CB 1 ATOM 1167 C CG . HIS A 1 149 ? -8.920 -10.704 11.388 1.00 12.98 ? 169 HIS A CG 1 ATOM 1168 N ND1 . HIS A 1 149 ? -7.758 -11.140 10.789 1.00 14.14 ? 169 HIS A ND1 1 ATOM 1169 C CD2 . HIS A 1 149 ? -9.327 -11.723 12.191 1.00 15.18 ? 169 HIS A CD2 1 ATOM 1170 C CE1 . HIS A 1 149 ? -7.435 -12.335 11.252 1.00 14.74 ? 169 HIS A CE1 1 ATOM 1171 N NE2 . HIS A 1 149 ? -8.358 -12.704 12.129 1.00 15.77 ? 169 HIS A NE2 1 ATOM 1172 N N . ILE A 1 150 ? -7.794 -7.111 9.616 1.00 9.91 ? 170 ILE A N 1 ATOM 1173 C CA . ILE A 1 150 ? -6.630 -6.799 8.836 1.00 10.13 ? 170 ILE A CA 1 ATOM 1174 C C . ILE A 1 150 ? -5.755 -5.724 9.520 1.00 10.24 ? 170 ILE A C 1 ATOM 1175 O O . ILE A 1 150 ? -4.527 -5.793 9.436 1.00 10.53 ? 170 ILE A O 1 ATOM 1176 C CB . ILE A 1 150 ? -6.914 -6.506 7.344 1.00 10.47 ? 170 ILE A CB 1 ATOM 1177 C CG1 . ILE A 1 150 ? -7.543 -5.112 7.151 1.00 10.48 ? 170 ILE A CG1 1 ATOM 1178 C CG2 . ILE A 1 150 ? -7.743 -7.662 6.746 1.00 10.28 ? 170 ILE A CG2 1 ATOM 1179 C CD1 . ILE A 1 150 ? -7.638 -4.758 5.658 1.00 10.83 ? 170 ILE A CD1 1 ATOM 1180 N N . TRP A 1 151 ? -6.387 -4.769 10.174 1.00 9.82 ? 171 TRP A N 1 ATOM 1181 C CA . TRP A 1 151 ? -5.627 -3.782 10.984 1.00 9.59 ? 171 TRP A CA 1 ATOM 1182 C C . TRP A 1 151 ? -4.963 -4.381 12.228 1.00 9.86 ? 171 TRP A C 1 ATOM 1183 O O . TRP A 1 151 ? -3.802 -4.039 12.527 1.00 10.34 ? 171 TRP A O 1 ATOM 1184 C CB . TRP A 1 151 ? -6.484 -2.545 11.338 1.00 9.48 ? 171 TRP A CB 1 ATOM 1185 C CG . TRP A 1 151 ? -6.536 -1.616 10.194 1.00 9.63 ? 171 TRP A CG 1 ATOM 1186 C CD1 . TRP A 1 151 ? -7.343 -1.695 9.095 1.00 9.24 ? 171 TRP A CD1 1 ATOM 1187 C CD2 . TRP A 1 151 ? -5.675 -0.502 9.981 1.00 9.91 ? 171 TRP A CD2 1 ATOM 1188 N NE1 . TRP A 1 151 ? -7.099 -0.649 8.260 1.00 10.14 ? 171 TRP A NE1 1 ATOM 1189 C CE2 . TRP A 1 151 ? -6.069 0.105 8.758 1.00 9.70 ? 171 TRP A CE2 1 ATOM 1190 C CE3 . TRP A 1 151 ? -4.625 0.068 10.723 1.00 10.26 ? 171 TRP A CE3 1 ATOM 1191 C CZ2 . TRP A 1 151 ? -5.412 1.182 8.228 1.00 9.72 ? 171 TRP A CZ2 1 ATOM 1192 C CZ3 . TRP A 1 151 ? -4.011 1.193 10.218 1.00 10.43 ? 171 TRP A CZ3 1 ATOM 1193 C CH2 . TRP A 1 151 ? -4.378 1.726 8.971 1.00 10.11 ? 171 TRP A CH2 1 ATOM 1194 N N . ASP A 1 152 ? -5.665 -5.246 12.957 1.00 9.43 ? 172 ASP A N 1 ATOM 1195 C CA . ASP A 1 152 ? -5.081 -5.905 14.096 1.00 10.10 ? 172 ASP A CA 1 ATOM 1196 C C . ASP A 1 152 ? -3.954 -6.831 13.757 1.00 10.42 ? 172 ASP A C 1 ATOM 1197 O O . ASP A 1 152 ? -2.964 -6.874 14.519 1.00 11.27 ? 172 ASP A O 1 ATOM 1198 C CB . ASP A 1 152 ? -6.143 -6.760 14.868 1.00 10.56 ? 172 ASP A CB 1 ATOM 1199 C CG . ASP A 1 152 ? -6.822 -6.010 15.983 1.00 10.68 ? 172 ASP A CG 1 ATOM 1200 O OD1 . ASP A 1 152 ? -6.582 -4.798 16.197 1.00 11.92 ? 172 ASP A OD1 1 ATOM 1201 O OD2 . ASP A 1 152 ? -7.634 -6.648 16.679 1.00 12.05 ? 172 ASP A OD2 1 ATOM 1202 N N . THR A 1 153 ? -4.130 -7.613 12.675 1.00 10.68 ? 173 THR A N 1 ATOM 1203 C CA . THR A 1 153 ? -3.405 -8.848 12.458 1.00 10.97 ? 173 THR A CA 1 ATOM 1204 C C . THR A 1 153 ? -2.792 -8.984 11.062 1.00 11.76 ? 173 THR A C 1 ATOM 1205 O O . THR A 1 153 ? -1.566 -9.070 10.957 1.00 10.36 ? 173 THR A O 1 ATOM 1206 C CB . THR A 1 153 ? -4.280 -10.052 12.838 1.00 11.83 ? 173 THR A CB 1 ATOM 1207 O OG1 . THR A 1 153 ? -4.541 -9.947 14.231 1.00 12.08 ? 173 THR A OG1 1 ATOM 1208 C CG2 . THR A 1 153 ? -3.570 -11.435 12.566 1.00 12.18 ? 173 THR A CG2 1 ATOM 1209 N N . ASN A 1 154 ? -3.585 -9.005 9.989 1.00 11.13 ? 174 ASN A N 1 ATOM 1210 C CA . ASN A 1 154 ? -3.017 -9.415 8.709 1.00 10.93 ? 174 ASN A CA 1 ATOM 1211 C C . ASN A 1 154 ? -1.938 -8.474 8.234 1.00 11.75 ? 174 ASN A C 1 ATOM 1212 O O . ASN A 1 154 ? -0.873 -8.904 7.798 1.00 12.12 ? 174 ASN A O 1 ATOM 1213 C CB . ASN A 1 154 ? -4.080 -9.512 7.602 1.00 11.85 ? 174 ASN A CB 1 ATOM 1214 C CG . ASN A 1 154 ? -5.231 -10.430 7.994 1.00 12.45 ? 174 ASN A CG 1 ATOM 1215 O OD1 . ASN A 1 154 ? -5.950 -10.174 8.922 1.00 12.87 ? 174 ASN A OD1 1 ATOM 1216 N ND2 . ASN A 1 154 ? -5.391 -11.519 7.247 1.00 14.02 ? 174 ASN A ND2 1 ATOM 1217 N N . MET A 1 155 ? -2.198 -7.171 8.356 1.00 11.56 ? 175 MET A N 1 ATOM 1218 C CA . MET A 1 155 ? -1.276 -6.181 7.796 1.00 11.71 ? 175 MET A CA 1 ATOM 1219 C C . MET A 1 155 ? -0.030 -6.065 8.660 1.00 10.79 ? 175 MET A C 1 ATOM 1220 O O . MET A 1 155 ? 1.082 -6.061 8.134 1.00 10.98 ? 175 MET A O 1 ATOM 1221 C CB . MET A 1 155 ? -1.960 -4.831 7.506 1.00 11.00 ? 175 MET A CB 1 ATOM 1222 C CG . MET A 1 155 ? -3.054 -4.936 6.456 1.00 12.20 ? 175 MET A CG 1 ATOM 1223 S SD . MET A 1 155 ? -3.613 -3.361 5.822 1.00 12.27 ? 175 MET A SD 1 ATOM 1224 C CE . MET A 1 155 ? -4.196 -2.517 7.272 1.00 12.73 ? 175 MET A CE 1 ATOM 1225 N N . PRO A 1 156 ? -0.188 -6.004 9.988 1.00 10.36 ? 176 PRO A N 1 ATOM 1226 C CA . PRO A 1 156 ? 1.079 -5.955 10.777 1.00 10.54 ? 176 PRO A CA 1 ATOM 1227 C C . PRO A 1 156 ? 1.963 -7.201 10.652 1.00 10.32 ? 176 PRO A C 1 ATOM 1228 O O . PRO A 1 156 ? 3.176 -7.051 10.574 1.00 11.96 ? 176 PRO A O 1 ATOM 1229 C CB . PRO A 1 156 ? 0.595 -5.807 12.211 1.00 10.42 ? 176 PRO A CB 1 ATOM 1230 C CG . PRO A 1 156 ? -0.736 -5.099 12.088 1.00 10.40 ? 176 PRO A CG 1 ATOM 1231 C CD . PRO A 1 156 ? -1.363 -5.653 10.818 1.00 10.56 ? 176 PRO A CD 1 ATOM 1232 N N . GLU A 1 157 ? 1.341 -8.375 10.525 1.00 10.79 ? 177 GLU A N 1 ATOM 1233 C CA . GLU A 1 157 ? 2.122 -9.630 10.355 1.00 12.00 ? 177 GLU A CA 1 ATOM 1234 C C . GLU A 1 157 ? 2.818 -9.669 8.980 1.00 12.97 ? 177 GLU A C 1 ATOM 1235 O O . GLU A 1 157 ? 4.005 -10.025 8.835 1.00 12.48 ? 177 GLU A O 1 ATOM 1236 C CB . GLU A 1 157 ? 1.197 -10.834 10.553 1.00 12.71 ? 177 GLU A CB 1 ATOM 1237 C CG . GLU A 1 157 ? 0.791 -11.062 11.992 1.00 12.77 ? 177 GLU A CG 1 ATOM 1238 C CD . GLU A 1 157 ? -0.001 -12.338 12.206 1.00 13.83 ? 177 GLU A CD 1 ATOM 1239 O OE1 . GLU A 1 157 ? -0.337 -12.633 13.351 1.00 13.97 ? 177 GLU A OE1 1 ATOM 1240 O OE2 . GLU A 1 157 ? -0.274 -13.049 11.225 1.00 14.22 ? 177 GLU A OE2 1 ATOM 1241 N N . GLU A 1 158 ? 2.111 -9.196 7.972 1.00 12.92 ? 178 GLU A N 1 ATOM 1242 C CA . GLU A 1 158 ? 2.709 -9.064 6.654 1.00 14.98 ? 178 GLU A CA 1 ATOM 1243 C C . GLU A 1 158 ? 3.912 -8.131 6.678 1.00 14.89 ? 178 GLU A C 1 ATOM 1244 O O . GLU A 1 158 ? 4.985 -8.491 6.167 1.00 12.32 ? 178 GLU A O 1 ATOM 1245 C CB . GLU A 1 158 ? 1.686 -8.551 5.621 1.00 15.53 ? 178 GLU A CB 1 ATOM 1246 C CG . GLU A 1 158 ? 2.315 -8.384 4.267 1.00 16.69 ? 178 GLU A CG 1 ATOM 1247 C CD . GLU A 1 158 ? 1.300 -8.207 3.143 1.00 18.47 ? 178 GLU A CD 1 ATOM 1248 O OE1 . GLU A 1 158 ? 1.788 -7.782 2.067 1.00 21.59 ? 178 GLU A OE1 1 ATOM 1249 O OE2 . GLU A 1 158 ? 0.071 -8.437 3.318 1.00 18.05 ? 178 GLU A OE2 1 ATOM 1250 N N . ALA A 1 159 ? 3.751 -6.947 7.308 1.00 13.20 ? 179 ALA A N 1 ATOM 1251 C CA . ALA A 1 159 ? 4.852 -5.984 7.348 1.00 12.82 ? 179 ALA A CA 1 ATOM 1252 C C . ALA A 1 159 ? 6.063 -6.542 8.163 1.00 13.25 ? 179 ALA A C 1 ATOM 1253 O O . ALA A 1 159 ? 7.220 -6.288 7.782 1.00 12.73 ? 179 ALA A O 1 ATOM 1254 C CB . ALA A 1 159 ? 4.357 -4.698 7.956 1.00 13.43 ? 179 ALA A CB 1 ATOM 1255 N N . ALA A 1 160 ? 5.786 -7.200 9.304 1.00 11.97 ? 180 ALA A N 1 ATOM 1256 C CA . ALA A 1 160 ? 6.812 -7.743 10.189 1.00 12.50 ? 180 ALA A CA 1 ATOM 1257 C C . ALA A 1 160 ? 7.498 -8.967 9.552 1.00 13.83 ? 180 ALA A C 1 ATOM 1258 O O . ALA A 1 160 ? 8.605 -9.312 9.950 1.00 14.08 ? 180 ALA A O 1 ATOM 1259 C CB . ALA A 1 160 ? 6.236 -8.132 11.544 1.00 12.48 ? 180 ALA A CB 1 ATOM 1260 N N . GLY A 1 161 ? 6.803 -9.653 8.634 1.00 13.32 ? 181 GLY A N 1 ATOM 1261 C CA . GLY A 1 161 ? 7.336 -10.874 7.993 1.00 15.40 ? 181 GLY A CA 1 ATOM 1262 C C . GLY A 1 161 ? 7.062 -12.113 8.839 1.00 16.74 ? 181 GLY A C 1 ATOM 1263 O O . GLY A 1 161 ? 7.815 -13.074 8.784 1.00 18.81 ? 181 GLY A O 1 ATOM 1264 N N . GLY A 1 162 ? 5.989 -12.118 9.597 1.00 14.92 ? 182 GLY A N 1 ATOM 1265 C CA . GLY A 1 162 ? 5.643 -13.245 10.419 1.00 15.92 ? 182 GLY A CA 1 ATOM 1266 C C . GLY A 1 162 ? 4.902 -12.892 11.678 1.00 16.06 ? 182 GLY A C 1 ATOM 1267 O O . GLY A 1 162 ? 4.328 -11.796 11.783 1.00 16.52 ? 182 GLY A O 1 ATOM 1268 N N . TYR A 1 163 ? 4.908 -13.827 12.634 1.00 15.93 ? 183 TYR A N 1 ATOM 1269 C CA . TYR A 1 163 ? 4.164 -13.650 13.825 1.00 16.92 ? 183 TYR A CA 1 ATOM 1270 C C . TYR A 1 163 ? 4.767 -14.233 15.100 1.00 16.19 ? 183 TYR A C 1 ATOM 1271 O O . TYR A 1 163 ? 4.118 -14.243 16.111 1.00 17.73 ? 183 TYR A O 1 ATOM 1272 C CB . TYR A 1 163 ? 2.718 -14.146 13.594 1.00 18.31 ? 183 TYR A CB 1 ATOM 1273 C CG . TYR A 1 163 ? 2.585 -15.619 13.241 1.00 20.06 ? 183 TYR A CG 1 ATOM 1274 C CD1 . TYR A 1 163 ? 2.729 -16.605 14.220 1.00 22.06 ? 183 TYR A CD1 1 ATOM 1275 C CD2 . TYR A 1 163 ? 2.378 -16.048 11.914 1.00 23.28 ? 183 TYR A CD2 1 ATOM 1276 C CE1 . TYR A 1 163 ? 2.604 -17.952 13.919 1.00 22.56 ? 183 TYR A CE1 1 ATOM 1277 C CE2 . TYR A 1 163 ? 2.248 -17.390 11.604 1.00 23.52 ? 183 TYR A CE2 1 ATOM 1278 C CZ . TYR A 1 163 ? 2.364 -18.346 12.629 1.00 26.47 ? 183 TYR A CZ 1 ATOM 1279 O OH . TYR A 1 163 ? 2.259 -19.718 12.406 1.00 26.48 ? 183 TYR A OH 1 ATOM 1280 N N . SER A 1 164 ? 5.988 -14.689 15.063 1.00 16.76 ? 184 SER A N 1 ATOM 1281 C CA . SER A 1 164 ? 6.609 -15.231 16.254 1.00 17.66 ? 184 SER A CA 1 ATOM 1282 C C . SER A 1 164 ? 7.099 -14.088 17.174 1.00 18.83 ? 184 SER A C 1 ATOM 1283 O O . SER A 1 164 ? 7.229 -12.928 16.748 1.00 17.28 ? 184 SER A O 1 ATOM 1284 C CB . SER A 1 164 ? 7.786 -16.089 15.859 1.00 17.15 ? 184 SER A CB 1 ATOM 1285 O OG . SER A 1 164 ? 8.832 -15.297 15.370 1.00 17.60 ? 184 SER A OG 1 ATOM 1286 N N . LEU A 1 165 ? 7.414 -14.450 18.403 1.00 18.11 ? 185 LEU A N 1 ATOM 1287 C CA . LEU A 1 165 ? 7.969 -13.481 19.332 1.00 18.05 ? 185 LEU A CA 1 ATOM 1288 C C . LEU A 1 165 ? 9.290 -12.899 18.798 1.00 16.15 ? 185 LEU A C 1 ATOM 1289 O O . LEU A 1 165 ? 9.550 -11.693 18.910 1.00 14.67 ? 185 LEU A O 1 ATOM 1290 C CB . LEU A 1 165 ? 8.181 -14.124 20.704 1.00 18.89 ? 185 LEU A CB 1 ATOM 1291 C CG . LEU A 1 165 ? 8.515 -13.149 21.793 1.00 21.54 ? 185 LEU A CG 1 ATOM 1292 C CD1 . LEU A 1 165 ? 7.324 -12.180 22.033 1.00 22.20 ? 185 LEU A CD1 1 ATOM 1293 C CD2 . LEU A 1 165 ? 8.868 -13.930 23.078 1.00 21.66 ? 185 LEU A CD2 1 ATOM 1294 N N . SER A 1 166 ? 10.112 -13.734 18.201 1.00 15.94 ? 186 SER A N 1 ATOM 1295 C CA . SER A 1 166 ? 11.372 -13.260 17.630 1.00 15.33 ? 186 SER A CA 1 ATOM 1296 C C . SER A 1 166 ? 11.125 -12.326 16.451 1.00 14.41 ? 186 SER A C 1 ATOM 1297 O O . SER A 1 166 ? 11.856 -11.357 16.273 1.00 14.34 ? 186 SER A O 1 ATOM 1298 C CB A SER A 1 166 ? 12.293 -14.430 17.251 0.50 16.46 ? 186 SER A CB 1 ATOM 1299 C CB B SER A 1 166 ? 12.252 -14.442 17.199 0.50 16.77 ? 186 SER A CB 1 ATOM 1300 O OG A SER A 1 166 ? 11.749 -15.134 16.162 0.50 16.19 ? 186 SER A OG 1 ATOM 1301 O OG B SER A 1 166 ? 13.172 -14.016 16.226 0.50 17.06 ? 186 SER A OG 1 ATOM 1302 N N . VAL A 1 167 ? 10.086 -12.581 15.661 1.00 14.15 ? 187 VAL A N 1 ATOM 1303 C CA . VAL A 1 167 ? 9.716 -11.636 14.602 1.00 14.58 ? 187 VAL A CA 1 ATOM 1304 C C . VAL A 1 167 ? 9.229 -10.292 15.179 1.00 13.25 ? 187 VAL A C 1 ATOM 1305 O O . VAL A 1 167 ? 9.567 -9.276 14.600 1.00 12.84 ? 187 VAL A O 1 ATOM 1306 C CB . VAL A 1 167 ? 8.691 -12.262 13.615 1.00 15.41 ? 187 VAL A CB 1 ATOM 1307 C CG1 . VAL A 1 167 ? 8.001 -11.243 12.724 1.00 15.19 ? 187 VAL A CG1 1 ATOM 1308 C CG2 . VAL A 1 167 ? 9.399 -13.284 12.721 1.00 15.69 ? 187 VAL A CG2 1 ATOM 1309 N N . ALA A 1 168 ? 8.437 -10.311 16.254 1.00 12.14 ? 188 ALA A N 1 ATOM 1310 C CA . ALA A 1 168 ? 8.008 -9.100 16.986 1.00 11.66 ? 188 ALA A CA 1 ATOM 1311 C C . ALA A 1 168 ? 9.201 -8.298 17.490 1.00 11.86 ? 188 ALA A C 1 ATOM 1312 O O . ALA A 1 168 ? 9.256 -7.071 17.364 1.00 10.87 ? 188 ALA A O 1 ATOM 1313 C CB . ALA A 1 168 ? 7.106 -9.459 18.170 1.00 11.56 ? 188 ALA A CB 1 ATOM 1314 N N . LYS A 1 169 ? 10.198 -9.011 17.991 1.00 11.84 ? 189 LYS A N 1 ATOM 1315 C CA . LYS A 1 169 ? 11.389 -8.388 18.486 1.00 13.60 ? 189 LYS A CA 1 ATOM 1316 C C . LYS A 1 169 ? 12.168 -7.685 17.368 1.00 13.33 ? 189 LYS A C 1 ATOM 1317 O O . LYS A 1 169 ? 12.642 -6.540 17.533 1.00 12.17 ? 189 LYS A O 1 ATOM 1318 C CB . LYS A 1 169 ? 12.270 -9.399 19.241 1.00 15.67 ? 189 LYS A CB 1 ATOM 1319 C CG . LYS A 1 169 ? 13.617 -8.788 19.664 1.00 18.64 ? 189 LYS A CG 1 ATOM 1320 C CD . LYS A 1 169 ? 13.450 -7.572 20.593 1.00 23.14 ? 189 LYS A CD 1 ATOM 1321 C CE . LYS A 1 169 ? 14.812 -7.138 21.220 1.00 25.90 ? 189 LYS A CE 1 ATOM 1322 N NZ . LYS A 1 169 ? 14.961 -5.709 21.622 1.00 25.76 ? 189 LYS A NZ 1 ATOM 1323 N N . THR A 1 170 ? 12.275 -8.351 16.214 1.00 13.36 ? 190 THR A N 1 ATOM 1324 C CA . THR A 1 170 ? 13.004 -7.789 15.094 1.00 12.86 ? 190 THR A CA 1 ATOM 1325 C C . THR A 1 170 ? 12.291 -6.535 14.594 1.00 12.28 ? 190 THR A C 1 ATOM 1326 O O . THR A 1 170 ? 12.915 -5.543 14.292 1.00 10.53 ? 190 THR A O 1 ATOM 1327 C CB A THR A 1 170 ? 13.164 -8.842 13.987 0.50 12.12 ? 190 THR A CB 1 ATOM 1328 C CB B THR A 1 170 ? 13.189 -8.788 13.945 0.50 14.51 ? 190 THR A CB 1 ATOM 1329 O OG1 A THR A 1 170 ? 13.857 -9.953 14.550 0.50 10.83 ? 190 THR A OG1 1 ATOM 1330 O OG1 B THR A 1 170 ? 11.919 -9.371 13.600 0.50 17.74 ? 190 THR A OG1 1 ATOM 1331 C CG2 A THR A 1 170 ? 13.919 -8.316 12.739 0.50 11.20 ? 190 THR A CG2 1 ATOM 1332 C CG2 B THR A 1 170 ? 14.156 -9.856 14.378 0.50 14.09 ? 190 THR A CG2 1 ATOM 1333 N N . TYR A 1 171 ? 10.976 -6.653 14.501 1.00 11.33 ? 191 TYR A N 1 ATOM 1334 C CA . TYR A 1 171 ? 10.114 -5.528 14.106 1.00 10.83 ? 191 TYR A CA 1 ATOM 1335 C C . TYR A 1 171 ? 10.214 -4.365 15.041 1.00 9.99 ? 191 TYR A C 1 ATOM 1336 O O . TYR A 1 171 ? 10.340 -3.203 14.608 1.00 9.92 ? 191 TYR A O 1 ATOM 1337 C CB . TYR A 1 171 ? 8.678 -6.036 14.015 1.00 10.70 ? 191 TYR A CB 1 ATOM 1338 C CG . TYR A 1 171 ? 7.721 -5.223 13.160 1.00 10.52 ? 191 TYR A CG 1 ATOM 1339 C CD1 . TYR A 1 171 ? 8.096 -4.652 11.939 1.00 10.75 ? 191 TYR A CD1 1 ATOM 1340 C CD2 . TYR A 1 171 ? 6.393 -5.110 13.542 1.00 11.32 ? 191 TYR A CD2 1 ATOM 1341 C CE1 . TYR A 1 171 ? 7.176 -3.942 11.153 1.00 10.84 ? 191 TYR A CE1 1 ATOM 1342 C CE2 . TYR A 1 171 ? 5.453 -4.452 12.742 1.00 11.32 ? 191 TYR A CE2 1 ATOM 1343 C CZ . TYR A 1 171 ? 5.853 -3.853 11.571 1.00 11.04 ? 191 TYR A CZ 1 ATOM 1344 O OH . TYR A 1 171 ? 4.953 -3.221 10.792 1.00 11.37 ? 191 TYR A OH 1 ATOM 1345 N N . ALA A 1 172 ? 10.105 -4.664 16.341 1.00 11.25 ? 192 ALA A N 1 ATOM 1346 C CA . ALA A 1 172 ? 10.329 -3.656 17.375 1.00 10.82 ? 192 ALA A CA 1 ATOM 1347 C C . ALA A 1 172 ? 11.679 -2.938 17.204 1.00 11.17 ? 192 ALA A C 1 ATOM 1348 O O . ALA A 1 172 ? 11.750 -1.730 17.231 1.00 11.73 ? 192 ALA A O 1 ATOM 1349 C CB . ALA A 1 172 ? 10.230 -4.282 18.750 1.00 10.75 ? 192 ALA A CB 1 ATOM 1350 N N . ASP A 1 173 ? 12.747 -3.695 16.976 1.00 11.73 ? 193 ASP A N 1 ATOM 1351 C CA . ASP A 1 173 ? 14.041 -3.100 16.756 1.00 12.02 ? 193 ASP A CA 1 ATOM 1352 C C . ASP A 1 173 ? 14.134 -2.200 15.556 1.00 11.48 ? 193 ASP A C 1 ATOM 1353 O O . ASP A 1 173 ? 14.765 -1.106 15.625 1.00 10.93 ? 193 ASP A O 1 ATOM 1354 C CB . ASP A 1 173 ? 15.135 -4.188 16.696 1.00 13.44 ? 193 ASP A CB 1 ATOM 1355 C CG . ASP A 1 173 ? 15.457 -4.798 18.052 1.00 15.02 ? 193 ASP A CG 1 ATOM 1356 O OD1 . ASP A 1 173 ? 14.990 -4.373 19.134 1.00 15.40 ? 193 ASP A OD1 1 ATOM 1357 O OD2 . ASP A 1 173 ? 16.148 -5.807 18.047 1.00 16.81 ? 193 ASP A OD2 1 ATOM 1358 N N . LEU A 1 174 ? 13.456 -2.579 14.456 1.00 11.28 ? 194 LEU A N 1 ATOM 1359 C CA . LEU A 1 174 ? 13.392 -1.749 13.276 1.00 12.07 ? 194 LEU A CA 1 ATOM 1360 C C . LEU A 1 174 ? 12.712 -0.411 13.625 1.00 11.40 ? 194 LEU A C 1 ATOM 1361 O O . LEU A 1 174 ? 13.163 0.668 13.252 1.00 11.62 ? 194 LEU A O 1 ATOM 1362 C CB . LEU A 1 174 ? 12.610 -2.483 12.194 1.00 14.83 ? 194 LEU A CB 1 ATOM 1363 C CG . LEU A 1 174 ? 12.229 -1.690 10.931 1.00 17.71 ? 194 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 174 ? 13.508 -1.482 10.187 1.00 21.16 ? 194 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 174 ? 11.331 -2.471 9.996 1.00 21.94 ? 194 LEU A CD2 1 ATOM 1366 N N . LEU A 1 175 ? 11.598 -0.491 14.324 1.00 11.21 ? 195 LEU A N 1 ATOM 1367 C CA . LEU A 1 175 ? 10.805 0.718 14.652 1.00 10.86 ? 195 LEU A CA 1 ATOM 1368 C C . LEU A 1 175 ? 11.499 1.571 15.688 1.00 10.68 ? 195 LEU A C 1 ATOM 1369 O O . LEU A 1 175 ? 11.486 2.810 15.636 1.00 10.78 ? 195 LEU A O 1 ATOM 1370 C CB . LEU A 1 175 ? 9.384 0.278 15.081 1.00 10.84 ? 195 LEU A CB 1 ATOM 1371 C CG . LEU A 1 175 ? 8.621 -0.440 13.947 1.00 10.59 ? 195 LEU A CG 1 ATOM 1372 C CD1 . LEU A 1 175 ? 7.216 -0.839 14.425 1.00 11.67 ? 195 LEU A CD1 1 ATOM 1373 C CD2 . LEU A 1 175 ? 8.473 0.406 12.694 1.00 11.20 ? 195 LEU A CD2 1 ATOM 1374 N N . THR A 1 176 ? 12.210 0.916 16.584 1.00 10.22 ? 196 THR A N 1 ATOM 1375 C CA . THR A 1 176 ? 12.939 1.618 17.614 1.00 10.82 ? 196 THR A CA 1 ATOM 1376 C C . THR A 1 176 ? 14.070 2.456 16.985 1.00 11.41 ? 196 THR A C 1 ATOM 1377 O O . THR A 1 176 ? 14.304 3.603 17.360 1.00 11.23 ? 196 THR A O 1 ATOM 1378 C CB . THR A 1 176 ? 13.495 0.607 18.614 1.00 11.81 ? 196 THR A CB 1 ATOM 1379 O OG1 . THR A 1 176 ? 12.428 0.104 19.412 1.00 10.49 ? 196 THR A OG1 1 ATOM 1380 C CG2 . THR A 1 176 ? 14.610 1.217 19.501 1.00 12.06 ? 196 THR A CG2 1 ATOM 1381 N N . GLU A 1 177 ? 14.712 1.904 15.970 1.00 11.29 ? 197 GLU A N 1 ATOM 1382 C CA . GLU A 1 177 ? 15.740 2.635 15.250 1.00 12.39 ? 197 GLU A CA 1 ATOM 1383 C C . GLU A 1 177 ? 15.121 3.796 14.480 1.00 12.65 ? 197 GLU A C 1 ATOM 1384 O O . GLU A 1 177 ? 15.711 4.881 14.425 1.00 11.20 ? 197 GLU A O 1 ATOM 1385 C CB . GLU A 1 177 ? 16.568 1.711 14.352 1.00 13.51 ? 197 GLU A CB 1 ATOM 1386 C CG . GLU A 1 177 ? 17.869 2.381 13.974 1.00 16.26 ? 197 GLU A CG 1 ATOM 1387 C CD . GLU A 1 177 ? 18.888 1.474 13.335 1.00 19.48 ? 197 GLU A CD 1 ATOM 1388 O OE1 . GLU A 1 177 ? 18.564 0.392 12.830 1.00 24.22 ? 197 GLU A OE1 1 ATOM 1389 O OE2 . GLU A 1 177 ? 20.026 1.901 13.320 1.00 20.48 ? 197 GLU A OE2 1 ATOM 1390 N N . ARG A 1 178 ? 13.897 3.624 13.940 1.00 12.28 ? 198 ARG A N 1 ATOM 1391 C CA . ARG A 1 178 ? 13.247 4.754 13.333 1.00 12.64 ? 198 ARG A CA 1 ATOM 1392 C C . ARG A 1 178 ? 13.004 5.914 14.303 1.00 11.55 ? 198 ARG A C 1 ATOM 1393 O O . ARG A 1 178 ? 13.113 7.080 13.922 1.00 10.89 ? 198 ARG A O 1 ATOM 1394 C CB . ARG A 1 178 ? 11.865 4.411 12.735 1.00 14.12 ? 198 ARG A CB 1 ATOM 1395 C CG . ARG A 1 178 ? 11.921 3.626 11.522 1.00 17.51 ? 198 ARG A CG 1 ATOM 1396 C CD . ARG A 1 178 ? 10.563 3.541 10.859 1.00 16.05 ? 198 ARG A CD 1 ATOM 1397 N NE . ARG A 1 178 ? 10.651 2.515 9.861 1.00 16.38 ? 198 ARG A NE 1 ATOM 1398 C CZ . ARG A 1 178 ? 9.610 1.878 9.335 1.00 16.18 ? 198 ARG A CZ 1 ATOM 1399 N NH1 . ARG A 1 178 ? 8.374 2.190 9.689 1.00 14.54 ? 198 ARG A NH1 1 ATOM 1400 N NH2 . ARG A 1 178 ? 9.839 0.932 8.432 1.00 17.83 ? 198 ARG A NH2 1 ATOM 1401 N N . ILE A 1 179 ? 12.665 5.592 15.526 1.00 10.99 ? 199 ILE A N 1 ATOM 1402 C CA . ILE A 1 179 ? 12.484 6.578 16.596 1.00 11.11 ? 199 ILE A CA 1 ATOM 1403 C C . ILE A 1 179 ? 13.821 7.248 17.006 1.00 11.65 ? 199 ILE A C 1 ATOM 1404 O O . ILE A 1 179 ? 13.892 8.458 17.159 1.00 11.95 ? 199 ILE A O 1 ATOM 1405 C CB . ILE A 1 179 ? 11.839 5.950 17.838 1.00 10.63 ? 199 ILE A CB 1 ATOM 1406 C CG1 . ILE A 1 179 ? 10.429 5.417 17.565 1.00 10.11 ? 199 ILE A CG1 1 ATOM 1407 C CG2 . ILE A 1 179 ? 11.824 6.950 18.986 1.00 11.18 ? 199 ILE A CG2 1 ATOM 1408 C CD1 . ILE A 1 179 ? 9.929 4.487 18.665 1.00 9.91 ? 199 ILE A CD1 1 ATOM 1409 N N . LYS A 1 180 ? 14.874 6.449 17.201 1.00 12.12 ? 200 LYS A N 1 ATOM 1410 C CA . LYS A 1 180 ? 16.138 6.974 17.677 1.00 11.79 ? 200 LYS A CA 1 ATOM 1411 C C . LYS A 1 180 ? 16.817 7.882 16.651 1.00 11.65 ? 200 LYS A C 1 ATOM 1412 O O . LYS A 1 180 ? 17.244 8.988 17.017 1.00 11.23 ? 200 LYS A O 1 ATOM 1413 C CB . LYS A 1 180 ? 17.070 5.835 18.058 1.00 13.31 ? 200 LYS A CB 1 ATOM 1414 C CG . LYS A 1 180 ? 16.627 5.190 19.348 1.00 15.70 ? 200 LYS A CG 1 ATOM 1415 C CD . LYS A 1 180 ? 17.595 4.092 19.750 1.00 17.24 ? 200 LYS A CD 1 ATOM 1416 C CE . LYS A 1 180 ? 17.291 3.715 21.181 1.00 20.71 ? 200 LYS A CE 1 ATOM 1417 N NZ . LYS A 1 180 ? 18.269 2.684 21.548 1.00 24.78 ? 200 LYS A NZ 1 ATOM 1418 N N . THR A 1 181 ? 16.939 7.391 15.412 1.00 11.06 ? 201 THR A N 1 ATOM 1419 C CA . THR A 1 181 ? 17.723 8.054 14.359 1.00 11.51 ? 201 THR A CA 1 ATOM 1420 C C . THR A 1 181 ? 17.051 8.217 13.003 1.00 11.95 ? 201 THR A C 1 ATOM 1421 O O . THR A 1 181 ? 17.543 8.996 12.152 1.00 11.83 ? 201 THR A O 1 ATOM 1422 C CB . THR A 1 181 ? 19.098 7.325 14.113 1.00 11.06 ? 201 THR A CB 1 ATOM 1423 O OG1 . THR A 1 181 ? 18.866 5.996 13.671 1.00 10.38 ? 201 THR A OG1 1 ATOM 1424 C CG2 . THR A 1 181 ? 19.931 7.347 15.397 1.00 10.83 ? 201 THR A CG2 1 ATOM 1425 N N . GLY A 1 182 ? 15.968 7.467 12.762 1.00 11.38 ? 202 GLY A N 1 ATOM 1426 C CA . GLY A 1 182 ? 15.399 7.388 11.430 1.00 11.84 ? 202 GLY A CA 1 ATOM 1427 C C . GLY A 1 182 ? 14.240 8.384 11.212 1.00 11.61 ? 202 GLY A C 1 ATOM 1428 O O . GLY A 1 182 ? 14.172 9.500 11.776 1.00 11.86 ? 202 GLY A O 1 ATOM 1429 N N . THR A 1 183 ? 13.282 7.944 10.441 1.00 12.53 ? 203 THR A N 1 ATOM 1430 C CA . THR A 1 183 ? 12.211 8.825 9.992 1.00 14.46 ? 203 THR A CA 1 ATOM 1431 C C . THR A 1 183 ? 11.364 9.465 11.103 1.00 12.85 ? 203 THR A C 1 ATOM 1432 O O . THR A 1 183 ? 10.861 10.511 10.826 1.00 13.67 ? 203 THR A O 1 ATOM 1433 C CB A THR A 1 183 ? 11.222 8.034 9.090 0.50 15.07 ? 203 THR A CB 1 ATOM 1434 C CB B THR A 1 183 ? 11.364 8.235 8.850 0.50 14.94 ? 203 THR A CB 1 ATOM 1435 O OG1 A THR A 1 183 ? 10.251 8.905 8.493 0.50 18.02 ? 203 THR A OG1 1 ATOM 1436 O OG1 B THR A 1 183 ? 11.110 6.864 9.093 0.50 14.88 ? 203 THR A OG1 1 ATOM 1437 C CG2 A THR A 1 183 ? 10.500 7.072 9.878 0.50 14.86 ? 203 THR A CG2 1 ATOM 1438 C CG2 B THR A 1 183 ? 12.127 8.379 7.506 0.50 15.16 ? 203 THR A CG2 1 ATOM 1439 N N . TYR A 1 184 ? 11.247 8.871 12.301 1.00 11.17 ? 204 TYR A N 1 ATOM 1440 C CA . TYR A 1 184 ? 10.487 9.478 13.389 1.00 11.24 ? 204 TYR A CA 1 ATOM 1441 C C . TYR A 1 184 ? 11.331 10.313 14.336 1.00 11.69 ? 204 TYR A C 1 ATOM 1442 O O . TYR A 1 184 ? 10.782 10.748 15.336 1.00 13.70 ? 204 TYR A O 1 ATOM 1443 C CB . TYR A 1 184 ? 9.745 8.407 14.247 1.00 10.52 ? 204 TYR A CB 1 ATOM 1444 C CG . TYR A 1 184 ? 8.985 7.367 13.456 1.00 10.41 ? 204 TYR A CG 1 ATOM 1445 C CD1 . TYR A 1 184 ? 8.292 7.701 12.272 1.00 10.66 ? 204 TYR A CD1 1 ATOM 1446 C CD2 . TYR A 1 184 ? 8.975 6.023 13.874 1.00 10.42 ? 204 TYR A CD2 1 ATOM 1447 C CE1 . TYR A 1 184 ? 7.631 6.694 11.533 1.00 11.58 ? 204 TYR A CE1 1 ATOM 1448 C CE2 . TYR A 1 184 ? 8.309 5.043 13.160 1.00 10.55 ? 204 TYR A CE2 1 ATOM 1449 C CZ . TYR A 1 184 ? 7.654 5.379 11.996 1.00 10.64 ? 204 TYR A CZ 1 ATOM 1450 O OH . TYR A 1 184 ? 7.001 4.426 11.274 1.00 11.45 ? 204 TYR A OH 1 ATOM 1451 N N . SER A 1 185 ? 12.639 10.480 14.068 1.00 11.27 ? 205 SER A N 1 ATOM 1452 C CA . SER A 1 185 ? 13.568 10.912 15.119 1.00 12.22 ? 205 SER A CA 1 ATOM 1453 C C . SER A 1 185 ? 13.378 12.381 15.489 1.00 13.23 ? 205 SER A C 1 ATOM 1454 O O . SER A 1 185 ? 13.707 12.763 16.585 1.00 13.56 ? 205 SER A O 1 ATOM 1455 C CB . SER A 1 185 ? 15.052 10.589 14.790 1.00 12.36 ? 205 SER A CB 1 ATOM 1456 O OG . SER A 1 185 ? 15.523 11.312 13.675 1.00 13.75 ? 205 SER A OG 1 ATOM 1457 N N . SER A 1 186 ? 12.889 13.201 14.581 1.00 15.74 ? 206 SER A N 1 ATOM 1458 C CA . SER A 1 186 ? 12.424 14.572 14.949 1.00 17.36 ? 206 SER A CA 1 ATOM 1459 C C . SER A 1 186 ? 11.003 14.611 15.534 1.00 18.63 ? 206 SER A C 1 ATOM 1460 O O . SER A 1 186 ? 10.745 15.190 16.596 1.00 20.45 ? 206 SER A O 1 ATOM 1461 C CB . SER A 1 186 ? 12.533 15.460 13.750 1.00 19.62 ? 206 SER A CB 1 ATOM 1462 O OG . SER A 1 186 ? 13.912 15.491 13.458 1.00 22.48 ? 206 SER A OG 1 ATOM 1463 N N . LYS A 1 187 ? 10.079 14.007 14.837 1.00 19.32 ? 207 LYS A N 1 ATOM 1464 C CA A LYS A 1 187 ? 8.704 13.952 15.303 0.50 20.36 ? 207 LYS A CA 1 ATOM 1465 C CA B LYS A 1 187 ? 8.705 13.919 15.299 0.50 20.10 ? 207 LYS A CA 1 ATOM 1466 C C . LYS A 1 187 ? 8.595 13.486 16.752 1.00 19.27 ? 207 LYS A C 1 ATOM 1467 O O . LYS A 1 187 ? 7.807 14.016 17.524 1.00 18.26 ? 207 LYS A O 1 ATOM 1468 C CB A LYS A 1 187 ? 7.870 13.027 14.404 0.50 22.82 ? 207 LYS A CB 1 ATOM 1469 C CB B LYS A 1 187 ? 7.955 12.898 14.442 0.50 21.90 ? 207 LYS A CB 1 ATOM 1470 C CG A LYS A 1 187 ? 7.278 13.741 13.203 0.50 25.10 ? 207 LYS A CG 1 ATOM 1471 C CG B LYS A 1 187 ? 7.601 13.433 13.078 0.50 23.96 ? 207 LYS A CG 1 ATOM 1472 C CD A LYS A 1 187 ? 6.247 12.872 12.491 0.50 27.42 ? 207 LYS A CD 1 ATOM 1473 C CD B LYS A 1 187 ? 6.906 12.377 12.240 0.50 25.09 ? 207 LYS A CD 1 ATOM 1474 C CE A LYS A 1 187 ? 6.849 11.594 11.931 0.50 28.24 ? 207 LYS A CE 1 ATOM 1475 C CE B LYS A 1 187 ? 5.903 13.054 11.318 0.50 25.53 ? 207 LYS A CE 1 ATOM 1476 N NZ A LYS A 1 187 ? 6.115 11.252 10.674 0.50 30.53 ? 207 LYS A NZ 1 ATOM 1477 N NZ B LYS A 1 187 ? 5.173 12.087 10.473 0.50 24.93 ? 207 LYS A NZ 1 ATOM 1478 N N . LYS A 1 188 ? 9.382 12.466 17.126 1.00 17.27 ? 208 LYS A N 1 ATOM 1479 C CA . LYS A 1 188 ? 9.183 11.804 18.397 1.00 15.69 ? 208 LYS A CA 1 ATOM 1480 C C . LYS A 1 188 ? 9.384 12.682 19.615 1.00 16.52 ? 208 LYS A C 1 ATOM 1481 O O . LYS A 1 188 ? 8.832 12.430 20.692 1.00 15.29 ? 208 LYS A O 1 ATOM 1482 C CB . LYS A 1 188 ? 10.030 10.519 18.493 1.00 17.37 ? 208 LYS A CB 1 ATOM 1483 C CG . LYS A 1 188 ? 11.519 10.736 18.534 1.00 15.46 ? 208 LYS A CG 1 ATOM 1484 C CD . LYS A 1 188 ? 12.063 10.658 19.944 1.00 15.74 ? 208 LYS A CD 1 ATOM 1485 C CE . LYS A 1 188 ? 13.589 10.552 19.886 1.00 17.47 ? 208 LYS A CE 1 ATOM 1486 N NZ . LYS A 1 188 ? 14.229 11.795 19.461 1.00 18.45 ? 208 LYS A NZ 1 ATOM 1487 N N . ASP A 1 189 ? 10.151 13.755 19.444 1.00 16.45 ? 209 ASP A N 1 ATOM 1488 C CA . ASP A 1 189 ? 10.372 14.645 20.507 1.00 18.66 ? 209 ASP A CA 1 ATOM 1489 C C . ASP A 1 189 ? 9.076 15.257 21.036 1.00 18.24 ? 209 ASP A C 1 ATOM 1490 O O . ASP A 1 189 ? 9.081 15.714 22.165 1.00 20.90 ? 209 ASP A O 1 ATOM 1491 C CB . ASP A 1 189 ? 11.332 15.757 20.071 1.00 20.02 ? 209 ASP A CB 1 ATOM 1492 C CG . ASP A 1 189 ? 12.749 15.251 19.861 1.00 23.33 ? 209 ASP A CG 1 ATOM 1493 O OD1 . ASP A 1 189 ? 13.120 14.211 20.473 1.00 25.44 ? 209 ASP A OD1 1 ATOM 1494 O OD2 . ASP A 1 189 ? 13.465 15.922 19.064 1.00 25.53 ? 209 ASP A OD2 1 ATOM 1495 N N . SER A 1 190 ? 8.019 15.293 20.221 1.00 15.58 ? 210 SER A N 1 ATOM 1496 C CA . SER A 1 190 ? 6.750 15.871 20.632 1.00 16.08 ? 210 SER A CA 1 ATOM 1497 C C . SER A 1 190 ? 5.737 14.744 20.977 1.00 15.02 ? 210 SER A C 1 ATOM 1498 O O . SER A 1 190 ? 4.603 15.018 21.383 1.00 13.65 ? 210 SER A O 1 ATOM 1499 C CB . SER A 1 190 ? 6.239 16.785 19.511 1.00 17.18 ? 210 SER A CB 1 ATOM 1500 O OG . SER A 1 190 ? 5.771 15.987 18.465 1.00 23.33 ? 210 SER A OG 1 ATOM 1501 N N . TRP A 1 191 ? 6.152 13.468 20.855 1.00 13.80 ? 211 TRP A N 1 ATOM 1502 C CA . TRP A 1 191 ? 5.182 12.356 21.146 1.00 13.78 ? 211 TRP A CA 1 ATOM 1503 C C . TRP A 1 191 ? 4.701 12.272 22.607 1.00 13.47 ? 211 TRP A C 1 ATOM 1504 O O . TRP A 1 191 ? 3.616 11.686 22.906 1.00 13.46 ? 211 TRP A O 1 ATOM 1505 C CB . TRP A 1 191 ? 5.741 10.988 20.626 1.00 12.83 ? 211 TRP A CB 1 ATOM 1506 C CG . TRP A 1 191 ? 5.755 10.850 19.185 1.00 12.72 ? 211 TRP A CG 1 ATOM 1507 C CD1 . TRP A 1 191 ? 5.275 11.720 18.260 1.00 12.31 ? 211 TRP A CD1 1 ATOM 1508 C CD2 . TRP A 1 191 ? 6.229 9.724 18.461 1.00 11.97 ? 211 TRP A CD2 1 ATOM 1509 N NE1 . TRP A 1 191 ? 5.471 11.239 17.015 1.00 12.75 ? 211 TRP A NE1 1 ATOM 1510 C CE2 . TRP A 1 191 ? 6.051 10.007 17.100 1.00 12.16 ? 211 TRP A CE2 1 ATOM 1511 C CE3 . TRP A 1 191 ? 6.805 8.512 18.843 1.00 11.89 ? 211 TRP A CE3 1 ATOM 1512 C CZ2 . TRP A 1 191 ? 6.405 9.128 16.102 1.00 11.56 ? 211 TRP A CZ2 1 ATOM 1513 C CZ3 . TRP A 1 191 ? 7.148 7.594 17.826 1.00 11.58 ? 211 TRP A CZ3 1 ATOM 1514 C CH2 . TRP A 1 191 ? 6.961 7.937 16.474 1.00 11.34 ? 211 TRP A CH2 1 ATOM 1515 N N . THR A 1 192 ? 5.487 12.796 23.537 1.00 13.56 ? 212 THR A N 1 ATOM 1516 C CA . THR A 1 192 ? 5.081 12.824 24.938 1.00 15.29 ? 212 THR A CA 1 ATOM 1517 C C . THR A 1 192 ? 4.462 14.163 25.346 1.00 15.47 ? 212 THR A C 1 ATOM 1518 O O . THR A 1 192 ? 4.232 14.372 26.527 1.00 15.02 ? 212 THR A O 1 ATOM 1519 C CB . THR A 1 192 ? 6.207 12.518 25.902 1.00 16.60 ? 212 THR A CB 1 ATOM 1520 O OG1 . THR A 1 192 ? 7.273 13.418 25.679 1.00 20.49 ? 212 THR A OG1 1 ATOM 1521 C CG2 . THR A 1 192 ? 6.733 11.134 25.689 1.00 19.59 ? 212 THR A CG2 1 ATOM 1522 N N . ASP A 1 193 ? 4.221 15.044 24.396 1.00 17.66 ? 213 ASP A N 1 ATOM 1523 C CA A ASP A 1 193 ? 3.555 16.326 24.708 0.50 19.04 ? 213 ASP A CA 1 ATOM 1524 C CA B ASP A 1 193 ? 3.559 16.334 24.686 0.50 19.08 ? 213 ASP A CA 1 ATOM 1525 C C . ASP A 1 193 ? 2.180 16.056 25.234 1.00 18.78 ? 213 ASP A C 1 ATOM 1526 O O . ASP A 1 193 ? 1.437 15.255 24.647 1.00 18.79 ? 213 ASP A O 1 ATOM 1527 C CB A ASP A 1 193 ? 3.428 17.237 23.489 0.50 20.22 ? 213 ASP A CB 1 ATOM 1528 C CB B ASP A 1 193 ? 3.391 17.187 23.425 0.50 20.28 ? 213 ASP A CB 1 ATOM 1529 C CG A ASP A 1 193 ? 4.607 18.138 23.337 0.50 21.73 ? 213 ASP A CG 1 ATOM 1530 C CG B ASP A 1 193 ? 4.714 17.601 22.800 0.50 21.89 ? 213 ASP A CG 1 ATOM 1531 O OD1 A ASP A 1 193 ? 5.688 17.798 23.895 0.50 24.06 ? 213 ASP A OD1 1 ATOM 1532 O OD1 B ASP A 1 193 ? 5.784 17.535 23.455 0.50 23.76 ? 213 ASP A OD1 1 ATOM 1533 O OD2 A ASP A 1 193 ? 4.447 19.194 22.667 0.50 22.14 ? 213 ASP A OD2 1 ATOM 1534 O OD2 B ASP A 1 193 ? 4.671 17.997 21.617 0.50 22.88 ? 213 ASP A OD2 1 ATOM 1535 N N . GLY A 1 194 ? 1.864 16.712 26.375 1.00 18.43 ? 214 GLY A N 1 ATOM 1536 C CA . GLY A 1 194 ? 0.586 16.540 27.037 1.00 19.27 ? 214 GLY A CA 1 ATOM 1537 C C . GLY A 1 194 ? 0.563 15.434 28.058 1.00 19.29 ? 214 GLY A C 1 ATOM 1538 O O . GLY A 1 194 ? -0.402 15.324 28.825 1.00 19.08 ? 214 GLY A O 1 ATOM 1539 N N . ILE A 1 195 ? 1.621 14.610 28.144 1.00 17.05 ? 215 ILE A N 1 ATOM 1540 C CA . ILE A 1 195 ? 1.577 13.525 29.086 1.00 15.58 ? 215 ILE A CA 1 ATOM 1541 C C . ILE A 1 195 ? 1.513 14.093 30.527 1.00 15.57 ? 215 ILE A C 1 ATOM 1542 O O . ILE A 1 195 ? 2.217 15.045 30.882 1.00 14.96 ? 215 ILE A O 1 ATOM 1543 C CB A ILE A 1 195 ? 2.817 12.629 28.904 0.50 15.90 ? 215 ILE A CB 1 ATOM 1544 C CB B ILE A 1 195 ? 2.753 12.564 28.901 0.50 15.13 ? 215 ILE A CB 1 ATOM 1545 C CG1 A ILE A 1 195 ? 2.589 11.221 29.438 0.50 16.66 ? 215 ILE A CG1 1 ATOM 1546 C CG1 B ILE A 1 195 ? 2.581 11.776 27.593 0.50 15.30 ? 215 ILE A CG1 1 ATOM 1547 C CG2 A ILE A 1 195 ? 4.082 13.268 29.505 0.50 15.97 ? 215 ILE A CG2 1 ATOM 1548 C CG2 B ILE A 1 195 ? 2.896 11.604 30.073 0.50 15.34 ? 215 ILE A CG2 1 ATOM 1549 C CD1 A ILE A 1 195 ? 3.696 10.247 29.048 0.50 17.17 ? 215 ILE A CD1 1 ATOM 1550 C CD1 B ILE A 1 195 ? 3.581 10.664 27.425 0.50 14.78 ? 215 ILE A CD1 1 ATOM 1551 N N . ASP A 1 196 ? 0.668 13.507 31.353 1.00 14.54 ? 216 ASP A N 1 ATOM 1552 C CA . ASP A 1 196 ? 0.497 13.979 32.743 1.00 14.65 ? 216 ASP A CA 1 ATOM 1553 C C . ASP A 1 196 ? 0.027 12.809 33.588 1.00 13.40 ? 216 ASP A C 1 ATOM 1554 O O . ASP A 1 196 ? -1.113 12.345 33.478 1.00 12.33 ? 216 ASP A O 1 ATOM 1555 C CB . ASP A 1 196 ? -0.507 15.146 32.751 1.00 14.55 ? 216 ASP A CB 1 ATOM 1556 C CG . ASP A 1 196 ? -0.780 15.713 34.111 1.00 16.40 ? 216 ASP A CG 1 ATOM 1557 O OD1 . ASP A 1 196 ? -0.244 15.226 35.146 1.00 16.67 ? 216 ASP A OD1 1 ATOM 1558 O OD2 . ASP A 1 196 ? -1.629 16.692 34.128 1.00 20.40 ? 216 ASP A OD2 1 ATOM 1559 N N . ILE A 1 197 ? 0.918 12.347 34.442 1.00 13.50 ? 217 ILE A N 1 ATOM 1560 C CA . ILE A 1 197 ? 0.676 11.190 35.266 1.00 13.56 ? 217 ILE A CA 1 ATOM 1561 C C . ILE A 1 197 ? -0.453 11.428 36.281 1.00 14.03 ? 217 ILE A C 1 ATOM 1562 O O . ILE A 1 197 ? -1.101 10.487 36.698 1.00 12.52 ? 217 ILE A O 1 ATOM 1563 C CB . ILE A 1 197 ? 1.979 10.754 35.957 1.00 13.96 ? 217 ILE A CB 1 ATOM 1564 C CG1 . ILE A 1 197 ? 1.833 9.375 36.624 1.00 13.60 ? 217 ILE A CG1 1 ATOM 1565 C CG2 . ILE A 1 197 ? 2.431 11.794 37.012 1.00 14.08 ? 217 ILE A CG2 1 ATOM 1566 C CD1 . ILE A 1 197 ? 1.431 8.260 35.672 1.00 14.61 ? 217 ILE A CD1 1 ATOM 1567 N N . LYS A 1 198 ? -0.732 12.705 36.572 1.00 15.37 ? 218 LYS A N 1 ATOM 1568 C CA . LYS A 1 198 ? -1.869 13.093 37.377 1.00 17.61 ? 218 LYS A CA 1 ATOM 1569 C C . LYS A 1 198 ? -3.157 13.280 36.619 1.00 16.54 ? 218 LYS A C 1 ATOM 1570 O O . LYS A 1 198 ? -4.198 13.532 37.247 1.00 16.40 ? 218 LYS A O 1 ATOM 1571 C CB A LYS A 1 198 ? -1.568 14.381 38.166 0.50 19.68 ? 218 LYS A CB 1 ATOM 1572 C CB B LYS A 1 198 ? -1.548 14.418 38.094 0.50 18.73 ? 218 LYS A CB 1 ATOM 1573 C CG A LYS A 1 198 ? -0.327 14.298 39.050 0.50 21.84 ? 218 LYS A CG 1 ATOM 1574 C CG B LYS A 1 198 ? -0.285 14.364 38.944 0.50 20.22 ? 218 LYS A CG 1 ATOM 1575 C CD A LYS A 1 198 ? -0.349 13.126 40.018 0.50 23.43 ? 218 LYS A CD 1 ATOM 1576 C CD B LYS A 1 198 ? -0.600 13.674 40.252 0.50 21.14 ? 218 LYS A CD 1 ATOM 1577 C CE A LYS A 1 198 ? -1.644 12.966 40.798 0.50 26.05 ? 218 LYS A CE 1 ATOM 1578 C CE B LYS A 1 198 ? 0.604 13.632 41.181 0.50 23.33 ? 218 LYS A CE 1 ATOM 1579 N NZ A LYS A 1 198 ? -2.156 14.198 41.448 0.50 27.43 ? 218 LYS A NZ 1 ATOM 1580 N NZ B LYS A 1 198 ? 0.195 12.975 42.439 0.50 24.01 ? 218 LYS A NZ 1 ATOM 1581 N N . ASP A 1 199 ? -3.157 13.115 35.306 1.00 15.50 ? 219 ASP A N 1 ATOM 1582 C CA . ASP A 1 199 ? -4.383 13.217 34.545 1.00 14.23 ? 219 ASP A CA 1 ATOM 1583 C C . ASP A 1 199 ? -4.356 12.092 33.425 1.00 14.25 ? 219 ASP A C 1 ATOM 1584 O O . ASP A 1 199 ? -4.198 12.356 32.231 1.00 12.54 ? 219 ASP A O 1 ATOM 1585 C CB . ASP A 1 199 ? -4.555 14.622 34.032 1.00 15.34 ? 219 ASP A CB 1 ATOM 1586 C CG . ASP A 1 199 ? -5.952 14.872 33.470 1.00 17.00 ? 219 ASP A CG 1 ATOM 1587 O OD1 . ASP A 1 199 ? -6.748 13.864 33.312 1.00 17.47 ? 219 ASP A OD1 1 ATOM 1588 O OD2 . ASP A 1 199 ? -6.173 16.056 33.151 1.00 16.82 ? 219 ASP A OD2 1 ATOM 1589 N N . PRO A 1 200 ? -4.491 10.827 33.866 1.00 14.70 ? 220 PRO A N 1 ATOM 1590 C CA . PRO A 1 200 ? -4.511 9.707 32.913 1.00 15.15 ? 220 PRO A CA 1 ATOM 1591 C C . PRO A 1 200 ? -5.605 9.831 31.865 1.00 14.52 ? 220 PRO A C 1 ATOM 1592 O O . PRO A 1 200 ? -5.393 9.355 30.753 1.00 13.57 ? 220 PRO A O 1 ATOM 1593 C CB . PRO A 1 200 ? -4.762 8.483 33.773 1.00 15.46 ? 220 PRO A CB 1 ATOM 1594 C CG . PRO A 1 200 ? -4.441 8.897 35.148 1.00 16.52 ? 220 PRO A CG 1 ATOM 1595 C CD . PRO A 1 200 ? -4.663 10.369 35.246 1.00 14.90 ? 220 PRO A CD 1 ATOM 1596 N N . VAL A 1 201 ? -6.781 10.348 32.229 1.00 12.72 ? 221 VAL A N 1 ATOM 1597 C CA . VAL A 1 201 ? -7.833 10.492 31.249 1.00 12.87 ? 221 VAL A CA 1 ATOM 1598 C C . VAL A 1 201 ? -7.418 11.456 30.132 1.00 13.09 ? 221 VAL A C 1 ATOM 1599 O O . VAL A 1 201 ? -7.494 11.132 28.941 1.00 12.89 ? 221 VAL A O 1 ATOM 1600 C CB . VAL A 1 201 ? -9.158 10.941 31.878 1.00 14.02 ? 221 VAL A CB 1 ATOM 1601 C CG1 . VAL A 1 201 ? -10.216 11.313 30.793 1.00 14.06 ? 221 VAL A CG1 1 ATOM 1602 C CG2 . VAL A 1 201 ? -9.684 9.838 32.784 1.00 14.15 ? 221 VAL A CG2 1 ATOM 1603 N N . SER A 1 202 ? -6.930 12.647 30.477 1.00 12.42 ? 222 SER A N 1 ATOM 1604 C CA . SER A 1 202 ? -6.510 13.574 29.428 1.00 12.58 ? 222 SER A CA 1 ATOM 1605 C C . SER A 1 202 ? -5.359 12.999 28.613 1.00 12.00 ? 222 SER A C 1 ATOM 1606 O O . SER A 1 202 ? -5.335 13.131 27.411 1.00 13.93 ? 222 SER A O 1 ATOM 1607 C CB A SER A 1 202 ? -6.047 14.933 30.043 0.50 12.18 ? 222 SER A CB 1 ATOM 1608 C CB B SER A 1 202 ? -6.143 14.933 30.011 0.50 13.00 ? 222 SER A CB 1 ATOM 1609 O OG A SER A 1 202 ? -5.474 15.804 29.071 0.50 11.29 ? 222 SER A OG 1 ATOM 1610 O OG B SER A 1 202 ? -7.322 15.474 30.527 0.50 13.63 ? 222 SER A OG 1 ATOM 1611 N N . THR A 1 203 ? -4.416 12.373 29.267 1.00 11.97 ? 223 THR A N 1 ATOM 1612 C CA . THR A 1 203 ? -3.237 11.861 28.586 1.00 12.55 ? 223 THR A CA 1 ATOM 1613 C C . THR A 1 203 ? -3.693 10.824 27.572 1.00 11.91 ? 223 THR A C 1 ATOM 1614 O O . THR A 1 203 ? -3.276 10.851 26.423 1.00 10.69 ? 223 THR A O 1 ATOM 1615 C CB . THR A 1 203 ? -2.284 11.214 29.591 1.00 14.42 ? 223 THR A CB 1 ATOM 1616 O OG1 . THR A 1 203 ? -1.811 12.205 30.535 1.00 14.10 ? 223 THR A OG1 1 ATOM 1617 C CG2 . THR A 1 203 ? -1.079 10.514 28.866 1.00 14.70 ? 223 THR A CG2 1 ATOM 1618 N N . SER A 1 204 ? -4.515 9.872 28.003 1.00 10.78 ? 224 SER A N 1 ATOM 1619 C CA . SER A 1 204 ? -4.845 8.796 27.083 1.00 11.72 ? 224 SER A CA 1 ATOM 1620 C C . SER A 1 204 ? -5.816 9.234 26.009 1.00 11.53 ? 224 SER A C 1 ATOM 1621 O O . SER A 1 204 ? -5.827 8.690 24.923 1.00 11.52 ? 224 SER A O 1 ATOM 1622 C CB . SER A 1 204 ? -5.288 7.534 27.863 1.00 12.15 ? 224 SER A CB 1 ATOM 1623 O OG . SER A 1 204 ? -6.429 7.762 28.632 1.00 13.07 ? 224 SER A OG 1 ATOM 1624 N N . MET A 1 205 ? -6.667 10.202 26.318 1.00 11.00 ? 225 MET A N 1 ATOM 1625 C CA . MET A 1 205 ? -7.509 10.786 25.301 1.00 12.29 ? 225 MET A CA 1 ATOM 1626 C C . MET A 1 205 ? -6.720 11.492 24.177 1.00 13.05 ? 225 MET A C 1 ATOM 1627 O O . MET A 1 205 ? -7.116 11.447 23.028 1.00 12.88 ? 225 MET A O 1 ATOM 1628 C CB . MET A 1 205 ? -8.503 11.775 25.925 1.00 12.86 ? 225 MET A CB 1 ATOM 1629 C CG . MET A 1 205 ? -9.728 11.184 26.569 1.00 12.16 ? 225 MET A CG 1 ATOM 1630 S SD . MET A 1 205 ? -10.708 10.167 25.470 1.00 13.10 ? 225 MET A SD 1 ATOM 1631 C CE . MET A 1 205 ? -11.208 11.326 24.168 1.00 13.39 ? 225 MET A CE 1 ATOM 1632 N N . ILE A 1 206 ? -5.603 12.143 24.499 1.00 13.55 ? 226 ILE A N 1 ATOM 1633 C CA . ILE A 1 206 ? -4.713 12.664 23.461 1.00 13.62 ? 226 ILE A CA 1 ATOM 1634 C C . ILE A 1 206 ? -4.269 11.573 22.508 1.00 12.17 ? 226 ILE A C 1 ATOM 1635 O O . ILE A 1 206 ? -4.367 11.710 21.279 1.00 12.65 ? 226 ILE A O 1 ATOM 1636 C CB . ILE A 1 206 ? -3.522 13.437 24.101 1.00 14.83 ? 226 ILE A CB 1 ATOM 1637 C CG1 . ILE A 1 206 ? -4.049 14.711 24.804 1.00 15.80 ? 226 ILE A CG1 1 ATOM 1638 C CG2 . ILE A 1 206 ? -2.480 13.798 23.039 1.00 15.37 ? 226 ILE A CG2 1 ATOM 1639 C CD1 . ILE A 1 206 ? -3.032 15.257 25.791 1.00 17.62 ? 226 ILE A CD1 1 ATOM 1640 N N . TRP A 1 207 ? -3.861 10.456 23.060 1.00 10.43 ? 227 TRP A N 1 ATOM 1641 C CA . TRP A 1 207 ? -3.407 9.348 22.242 1.00 10.22 ? 227 TRP A CA 1 ATOM 1642 C C . TRP A 1 207 ? -4.491 8.750 21.376 1.00 9.72 ? 227 TRP A C 1 ATOM 1643 O O . TRP A 1 207 ? -4.268 8.543 20.153 1.00 10.21 ? 227 TRP A O 1 ATOM 1644 C CB . TRP A 1 207 ? -2.743 8.278 23.098 1.00 10.44 ? 227 TRP A CB 1 ATOM 1645 C CG . TRP A 1 207 ? -1.619 8.766 23.980 1.00 10.64 ? 227 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 207 ? -0.836 9.879 23.834 1.00 11.12 ? 227 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 207 ? -1.187 8.117 25.186 1.00 11.60 ? 227 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 207 ? 0.089 9.927 24.892 1.00 11.49 ? 227 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 207 ? -0.126 8.847 25.710 1.00 12.07 ? 227 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 207 ? -1.641 6.967 25.882 1.00 12.75 ? 227 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 207 ? 0.575 8.434 26.896 1.00 12.89 ? 227 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 207 ? -0.949 6.568 27.072 1.00 14.01 ? 227 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 207 ? 0.136 7.329 27.549 1.00 13.23 ? 227 TRP A CH2 1 ATOM 1654 N N . ALA A 1 208 ? -5.668 8.571 21.963 1.00 9.66 ? 228 ALA A N 1 ATOM 1655 C CA . ALA A 1 208 ? -6.797 8.017 21.281 1.00 9.42 ? 228 ALA A CA 1 ATOM 1656 C C . ALA A 1 208 ? -7.302 8.942 20.220 1.00 10.71 ? 228 ALA A C 1 ATOM 1657 O O . ALA A 1 208 ? -7.618 8.470 19.135 1.00 10.21 ? 228 ALA A O 1 ATOM 1658 C CB . ALA A 1 208 ? -7.901 7.687 22.267 1.00 10.28 ? 228 ALA A CB 1 ATOM 1659 N N . ALA A 1 209 ? -7.362 10.276 20.504 1.00 10.74 ? 229 ALA A N 1 ATOM 1660 C CA . ALA A 1 209 ? -7.772 11.250 19.537 1.00 10.80 ? 229 ALA A CA 1 ATOM 1661 C C . ALA A 1 209 ? -6.859 11.286 18.332 1.00 10.69 ? 229 ALA A C 1 ATOM 1662 O O . ALA A 1 209 ? -7.321 11.326 17.204 1.00 11.00 ? 229 ALA A O 1 ATOM 1663 C CB . ALA A 1 209 ? -7.837 12.634 20.182 1.00 11.59 ? 229 ALA A CB 1 ATOM 1664 N N . ASP A 1 210 ? -5.551 11.239 18.576 1.00 10.55 ? 230 ASP A N 1 ATOM 1665 C CA A ASP A 1 210 ? -4.514 11.139 17.554 0.50 10.52 ? 230 ASP A CA 1 ATOM 1666 C CA B ASP A 1 210 ? -4.609 11.180 17.461 0.50 11.13 ? 230 ASP A CA 1 ATOM 1667 C C . ASP A 1 210 ? -4.780 9.887 16.653 1.00 10.38 ? 230 ASP A C 1 ATOM 1668 O O . ASP A 1 210 ? -4.936 9.978 15.429 1.00 11.08 ? 230 ASP A O 1 ATOM 1669 C CB A ASP A 1 210 ? -3.166 11.076 18.317 0.50 10.29 ? 230 ASP A CB 1 ATOM 1670 C CB B ASP A 1 210 ? -3.155 11.346 17.851 0.50 11.70 ? 230 ASP A CB 1 ATOM 1671 C CG A ASP A 1 210 ? -1.962 11.028 17.418 0.50 9.80 ? 230 ASP A CG 1 ATOM 1672 C CG B ASP A 1 210 ? -2.251 11.232 16.653 0.50 12.10 ? 230 ASP A CG 1 ATOM 1673 O OD1 A ASP A 1 210 ? -2.019 11.468 16.261 0.50 10.11 ? 230 ASP A OD1 1 ATOM 1674 O OD1 B ASP A 1 210 ? -2.477 11.943 15.636 0.50 12.79 ? 230 ASP A OD1 1 ATOM 1675 O OD2 A ASP A 1 210 ? -0.929 10.541 17.895 0.50 9.88 ? 230 ASP A OD2 1 ATOM 1676 O OD2 B ASP A 1 210 ? -1.366 10.384 16.683 0.50 12.15 ? 230 ASP A OD2 1 ATOM 1677 N N . ALA A 1 211 ? -4.864 8.712 17.281 1.00 9.48 ? 231 ALA A N 1 ATOM 1678 C CA . ALA A 1 211 ? -5.129 7.494 16.553 1.00 9.48 ? 231 ALA A CA 1 ATOM 1679 C C . ALA A 1 211 ? -6.446 7.539 15.747 1.00 9.60 ? 231 ALA A C 1 ATOM 1680 O O . ALA A 1 211 ? -6.517 7.067 14.608 1.00 9.26 ? 231 ALA A O 1 ATOM 1681 C CB . ALA A 1 211 ? -5.084 6.295 17.485 1.00 9.42 ? 231 ALA A CB 1 ATOM 1682 N N . ASN A 1 212 ? -7.509 8.051 16.370 1.00 9.40 ? 232 ASN A N 1 ATOM 1683 C CA . ASN A 1 212 ? -8.820 8.118 15.704 1.00 9.74 ? 232 ASN A CA 1 ATOM 1684 C C . ASN A 1 212 ? -8.809 8.970 14.395 1.00 10.14 ? 232 ASN A C 1 ATOM 1685 O O . ASN A 1 212 ? -9.498 8.667 13.416 1.00 10.65 ? 232 ASN A O 1 ATOM 1686 C CB . ASN A 1 212 ? -9.852 8.602 16.694 1.00 9.50 ? 232 ASN A CB 1 ATOM 1687 C CG . ASN A 1 212 ? -11.144 9.048 16.028 1.00 9.39 ? 232 ASN A CG 1 ATOM 1688 O OD1 . ASN A 1 212 ? -11.306 10.222 15.687 1.00 10.52 ? 232 ASN A OD1 1 ATOM 1689 N ND2 . ASN A 1 212 ? -12.099 8.118 15.890 1.00 8.80 ? 232 ASN A ND2 1 ATOM 1690 N N . THR A 1 213 ? -7.970 10.002 14.366 1.00 10.93 ? 233 THR A N 1 ATOM 1691 C CA . THR A 1 213 ? -7.842 10.791 13.141 1.00 11.37 ? 233 THR A CA 1 ATOM 1692 C C . THR A 1 213 ? -7.470 9.947 11.927 1.00 10.86 ? 233 THR A C 1 ATOM 1693 O O . THR A 1 213 ? -7.901 10.245 10.802 1.00 10.57 ? 233 THR A O 1 ATOM 1694 C CB . THR A 1 213 ? -6.868 11.980 13.204 1.00 11.82 ? 233 THR A CB 1 ATOM 1695 O OG1 . THR A 1 213 ? -5.527 11.503 13.348 1.00 12.16 ? 233 THR A OG1 1 ATOM 1696 C CG2 . THR A 1 213 ? -7.281 12.931 14.323 1.00 12.74 ? 233 THR A CG2 1 ATOM 1697 N N . TYR A 1 214 ? -6.710 8.884 12.141 1.00 10.35 ? 234 TYR A N 1 ATOM 1698 C CA . TYR A 1 214 ? -6.367 8.008 11.040 1.00 10.95 ? 234 TYR A CA 1 ATOM 1699 C C . TYR A 1 214 ? -7.500 7.152 10.524 1.00 10.07 ? 234 TYR A C 1 ATOM 1700 O O . TYR A 1 214 ? -7.421 6.625 9.416 1.00 11.28 ? 234 TYR A O 1 ATOM 1701 C CB . TYR A 1 214 ? -5.162 7.130 11.384 1.00 11.09 ? 234 TYR A CB 1 ATOM 1702 C CG . TYR A 1 214 ? -3.902 7.925 11.609 1.00 11.06 ? 234 TYR A CG 1 ATOM 1703 C CD1 . TYR A 1 214 ? -3.053 8.255 10.535 1.00 12.03 ? 234 TYR A CD1 1 ATOM 1704 C CD2 . TYR A 1 214 ? -3.556 8.328 12.879 1.00 11.17 ? 234 TYR A CD2 1 ATOM 1705 C CE1 . TYR A 1 214 ? -1.883 8.978 10.742 1.00 13.25 ? 234 TYR A CE1 1 ATOM 1706 C CE2 . TYR A 1 214 ? -2.406 9.049 13.113 1.00 11.92 ? 234 TYR A CE2 1 ATOM 1707 C CZ . TYR A 1 214 ? -1.563 9.359 12.030 1.00 13.79 ? 234 TYR A CZ 1 ATOM 1708 O OH . TYR A 1 214 ? -0.383 10.066 12.242 1.00 16.31 ? 234 TYR A OH 1 ATOM 1709 N N . VAL A 1 215 ? -8.572 7.028 11.278 1.00 10.76 ? 235 VAL A N 1 ATOM 1710 C CA . VAL A 1 215 ? -9.796 6.406 10.746 1.00 11.40 ? 235 VAL A CA 1 ATOM 1711 C C . VAL A 1 215 ? -10.255 7.163 9.504 1.00 11.22 ? 235 VAL A C 1 ATOM 1712 O O . VAL A 1 215 ? -10.541 6.540 8.450 1.00 12.84 ? 235 VAL A O 1 ATOM 1713 C CB . VAL A 1 215 ? -10.941 6.351 11.803 1.00 10.79 ? 235 VAL A CB 1 ATOM 1714 C CG1 . VAL A 1 215 ? -12.182 5.708 11.209 1.00 11.31 ? 235 VAL A CG1 1 ATOM 1715 C CG2 . VAL A 1 215 ? -10.494 5.534 13.001 1.00 11.08 ? 235 VAL A CG2 1 ATOM 1716 N N . CYS A 1 216 ? -10.309 8.496 9.614 1.00 11.39 ? 236 CYS A N 1 ATOM 1717 C CA . CYS A 1 216 ? -10.704 9.319 8.476 1.00 11.71 ? 236 CYS A CA 1 ATOM 1718 C C . CYS A 1 216 ? -9.606 9.428 7.407 1.00 12.83 ? 236 CYS A C 1 ATOM 1719 O O . CYS A 1 216 ? -9.899 9.413 6.218 1.00 13.13 ? 236 CYS A O 1 ATOM 1720 C CB . CYS A 1 216 ? -11.117 10.710 8.911 1.00 12.02 ? 236 CYS A CB 1 ATOM 1721 S SG . CYS A 1 216 ? -12.704 10.733 9.785 1.00 13.90 ? 236 CYS A SG 1 ATOM 1722 N N . SER A 1 217 ? -8.355 9.624 7.829 1.00 12.12 ? 237 SER A N 1 ATOM 1723 C CA . SER A 1 217 ? -7.280 9.865 6.870 1.00 11.91 ? 237 SER A CA 1 ATOM 1724 C C . SER A 1 217 ? -6.818 8.649 6.072 1.00 12.48 ? 237 SER A C 1 ATOM 1725 O O . SER A 1 217 ? -6.290 8.791 4.974 1.00 12.46 ? 237 SER A O 1 ATOM 1726 C CB . SER A 1 217 ? -6.098 10.518 7.578 1.00 12.71 ? 237 SER A CB 1 ATOM 1727 O OG . SER A 1 217 ? -5.330 9.600 8.383 1.00 11.70 ? 237 SER A OG 1 ATOM 1728 N N . THR A 1 218 ? -6.988 7.435 6.620 1.00 11.70 ? 238 THR A N 1 ATOM 1729 C CA . THR A 1 218 ? -6.317 6.245 6.127 1.00 11.63 ? 238 THR A CA 1 ATOM 1730 C C . THR A 1 218 ? -7.213 5.026 6.146 1.00 12.07 ? 238 THR A C 1 ATOM 1731 O O . THR A 1 218 ? -7.320 4.321 5.141 1.00 13.09 ? 238 THR A O 1 ATOM 1732 C CB . THR A 1 218 ? -5.067 5.987 6.997 1.00 12.64 ? 238 THR A CB 1 ATOM 1733 O OG1 . THR A 1 218 ? -4.266 7.191 7.029 1.00 13.84 ? 238 THR A OG1 1 ATOM 1734 C CG2 . THR A 1 218 ? -4.248 4.834 6.475 1.00 13.40 ? 238 THR A CG2 1 ATOM 1735 N N . VAL A 1 219 ? -7.854 4.722 7.274 1.00 11.17 ? 239 VAL A N 1 ATOM 1736 C CA . VAL A 1 219 ? -8.587 3.474 7.345 1.00 11.09 ? 239 VAL A CA 1 ATOM 1737 C C . VAL A 1 219 ? -9.753 3.472 6.353 1.00 11.40 ? 239 VAL A C 1 ATOM 1738 O O . VAL A 1 219 ? -9.999 2.472 5.714 1.00 11.21 ? 239 VAL A O 1 ATOM 1739 C CB . VAL A 1 219 ? -9.169 3.168 8.761 1.00 11.62 ? 239 VAL A CB 1 ATOM 1740 C CG1 . VAL A 1 219 ? -9.923 1.810 8.786 1.00 11.97 ? 239 VAL A CG1 1 ATOM 1741 C CG2 . VAL A 1 219 ? -8.102 3.156 9.838 1.00 11.62 ? 239 VAL A CG2 1 ATOM 1742 N N . LEU A 1 220 ? -10.510 4.558 6.323 1.00 11.89 ? 240 LEU A N 1 ATOM 1743 C CA . LEU A 1 220 ? -11.737 4.634 5.562 1.00 12.88 ? 240 LEU A CA 1 ATOM 1744 C C . LEU A 1 220 ? -11.755 5.737 4.533 1.00 13.74 ? 240 LEU A C 1 ATOM 1745 O O . LEU A 1 220 ? -12.829 5.972 3.915 1.00 13.92 ? 240 LEU A O 1 ATOM 1746 C CB . LEU A 1 220 ? -12.951 4.789 6.503 1.00 14.26 ? 240 LEU A CB 1 ATOM 1747 C CG . LEU A 1 220 ? -13.206 3.662 7.524 1.00 14.05 ? 240 LEU A CG 1 ATOM 1748 C CD1 . LEU A 1 220 ? -14.344 4.049 8.442 1.00 15.48 ? 240 LEU A CD1 1 ATOM 1749 C CD2 . LEU A 1 220 ? -13.525 2.403 6.805 1.00 15.39 ? 240 LEU A CD2 1 ATOM 1750 N N . ASP A 1 221 ? -10.599 6.362 4.259 1.00 13.47 ? 241 ASP A N 1 ATOM 1751 C CA A ASP A 1 221 ? -10.646 7.513 3.361 0.60 13.14 ? 241 ASP A CA 1 ATOM 1752 C CA B ASP A 1 221 ? -10.470 7.466 3.318 0.40 13.78 ? 241 ASP A CA 1 ATOM 1753 C C . ASP A 1 221 ? -10.994 7.115 1.909 1.00 13.70 ? 241 ASP A C 1 ATOM 1754 O O . ASP A 1 221 ? -11.523 7.949 1.198 1.00 13.04 ? 241 ASP A O 1 ATOM 1755 C CB A ASP A 1 221 ? -9.375 8.328 3.376 0.60 13.70 ? 241 ASP A CB 1 ATOM 1756 C CB B ASP A 1 221 ? -8.988 7.831 3.220 0.40 14.86 ? 241 ASP A CB 1 ATOM 1757 C CG A ASP A 1 221 ? -8.240 7.589 2.787 0.60 13.41 ? 241 ASP A CG 1 ATOM 1758 C CG B ASP A 1 221 ? -8.748 9.091 2.431 0.40 15.34 ? 241 ASP A CG 1 ATOM 1759 O OD1 A ASP A 1 221 ? -8.056 6.450 3.263 0.60 13.81 ? 241 ASP A OD1 1 ATOM 1760 O OD1 B ASP A 1 221 ? -9.601 9.980 2.487 0.40 16.65 ? 241 ASP A OD1 1 ATOM 1761 O OD2 A ASP A 1 221 ? -7.577 8.129 1.876 0.60 12.58 ? 241 ASP A OD2 1 ATOM 1762 O OD2 B ASP A 1 221 ? -7.703 9.192 1.779 0.40 16.33 ? 241 ASP A OD2 1 ATOM 1763 N N . ASP A 1 222 ? -10.752 5.880 1.504 1.00 13.27 ? 242 ASP A N 1 ATOM 1764 C CA . ASP A 1 222 ? -11.201 5.386 0.197 1.00 15.62 ? 242 ASP A CA 1 ATOM 1765 C C . ASP A 1 222 ? -12.727 5.262 0.038 1.00 15.66 ? 242 ASP A C 1 ATOM 1766 O O . ASP A 1 222 ? -13.224 5.174 -1.108 1.00 17.11 ? 242 ASP A O 1 ATOM 1767 C CB . ASP A 1 222 ? -10.569 4.030 -0.102 1.00 16.92 ? 242 ASP A CB 1 ATOM 1768 C CG . ASP A 1 222 ? -9.034 4.122 -0.243 1.00 19.39 ? 242 ASP A CG 1 ATOM 1769 O OD1 . ASP A 1 222 ? -8.546 4.962 -0.973 1.00 22.72 ? 242 ASP A OD1 1 ATOM 1770 O OD2 . ASP A 1 222 ? -8.317 3.413 0.428 1.00 21.43 ? 242 ASP A OD2 1 ATOM 1771 N N . GLY A 1 223 ? -13.450 5.192 1.162 1.00 15.67 ? 243 GLY A N 1 ATOM 1772 C CA . GLY A 1 223 ? -14.899 4.980 1.197 1.00 15.26 ? 243 GLY A CA 1 ATOM 1773 C C . GLY A 1 223 ? -15.259 3.529 1.263 1.00 14.96 ? 243 GLY A C 1 ATOM 1774 O O . GLY A 1 223 ? -14.487 2.652 0.808 1.00 15.81 ? 243 GLY A O 1 ATOM 1775 N N . LEU A 1 224 ? -16.431 3.238 1.811 1.00 14.69 ? 244 LEU A N 1 ATOM 1776 C CA . LEU A 1 224 ? -16.817 1.869 1.975 1.00 16.33 ? 244 LEU A CA 1 ATOM 1777 C C . LEU A 1 224 ? -17.078 1.103 0.717 1.00 17.32 ? 244 LEU A C 1 ATOM 1778 O O . LEU A 1 224 ? -16.999 -0.142 0.725 1.00 15.76 ? 244 LEU A O 1 ATOM 1779 C CB . LEU A 1 224 ? -17.990 1.746 2.924 1.00 17.47 ? 244 LEU A CB 1 ATOM 1780 C CG . LEU A 1 224 ? -17.639 1.931 4.388 1.00 19.19 ? 244 LEU A CG 1 ATOM 1781 C CD1 . LEU A 1 224 ? -18.897 1.840 5.213 1.00 21.56 ? 244 LEU A CD1 1 ATOM 1782 C CD2 . LEU A 1 224 ? -16.684 0.836 4.848 1.00 18.64 ? 244 LEU A CD2 1 ATOM 1783 N N . ALA A 1 225 ? -17.414 1.793 -0.366 1.00 16.91 ? 245 ALA A N 1 ATOM 1784 C CA . ALA A 1 225 ? -17.625 1.049 -1.598 1.00 18.49 ? 245 ALA A CA 1 ATOM 1785 C C . ALA A 1 225 ? -16.318 0.408 -2.045 1.00 18.73 ? 245 ALA A C 1 ATOM 1786 O O . ALA A 1 225 ? -16.273 -0.776 -2.443 1.00 19.03 ? 245 ALA A O 1 ATOM 1787 C CB . ALA A 1 225 ? -18.195 1.925 -2.692 1.00 19.31 ? 245 ALA A CB 1 ATOM 1788 N N . TYR A 1 226 ? -15.233 1.184 -1.987 1.00 17.21 ? 246 TYR A N 1 ATOM 1789 C CA . TYR A 1 226 ? -13.906 0.633 -2.323 1.00 15.87 ? 246 TYR A CA 1 ATOM 1790 C C . TYR A 1 226 ? -13.534 -0.467 -1.357 1.00 15.52 ? 246 TYR A C 1 ATOM 1791 O O . TYR A 1 226 ? -13.101 -1.551 -1.761 1.00 16.43 ? 246 TYR A O 1 ATOM 1792 C CB . TYR A 1 226 ? -12.875 1.736 -2.281 1.00 16.33 ? 246 TYR A CB 1 ATOM 1793 C CG . TYR A 1 226 ? -11.434 1.284 -2.455 1.00 16.22 ? 246 TYR A CG 1 ATOM 1794 C CD1 . TYR A 1 226 ? -10.688 0.782 -1.363 1.00 17.21 ? 246 TYR A CD1 1 ATOM 1795 C CD2 . TYR A 1 226 ? -10.823 1.319 -3.701 1.00 17.75 ? 246 TYR A CD2 1 ATOM 1796 C CE1 . TYR A 1 226 ? -9.376 0.387 -1.515 1.00 16.60 ? 246 TYR A CE1 1 ATOM 1797 C CE2 . TYR A 1 226 ? -9.510 0.895 -3.861 1.00 17.95 ? 246 TYR A CE2 1 ATOM 1798 C CZ . TYR A 1 226 ? -8.809 0.430 -2.743 1.00 17.78 ? 246 TYR A CZ 1 ATOM 1799 O OH . TYR A 1 226 ? -7.508 0.015 -2.902 1.00 17.95 ? 246 TYR A OH 1 ATOM 1800 N N . ILE A 1 227 ? -13.710 -0.179 -0.068 1.00 14.76 ? 247 ILE A N 1 ATOM 1801 C CA A ILE A 1 227 ? -13.331 -1.122 0.993 0.50 14.34 ? 247 ILE A CA 1 ATOM 1802 C CA B ILE A 1 227 ? -13.359 -1.112 1.028 0.50 14.42 ? 247 ILE A CA 1 ATOM 1803 C C . ILE A 1 227 ? -14.069 -2.439 0.887 1.00 14.13 ? 247 ILE A C 1 ATOM 1804 O O . ILE A 1 227 ? -13.473 -3.491 1.101 1.00 13.81 ? 247 ILE A O 1 ATOM 1805 C CB A ILE A 1 227 ? -13.441 -0.452 2.385 0.50 14.62 ? 247 ILE A CB 1 ATOM 1806 C CB B ILE A 1 227 ? -13.665 -0.502 2.426 0.50 14.76 ? 247 ILE A CB 1 ATOM 1807 C CG1 A ILE A 1 227 ? -12.173 0.370 2.598 0.50 14.53 ? 247 ILE A CG1 1 ATOM 1808 C CG1 B ILE A 1 227 ? -12.734 0.677 2.707 0.50 14.85 ? 247 ILE A CG1 1 ATOM 1809 C CG2 A ILE A 1 227 ? -13.579 -1.464 3.512 0.50 14.98 ? 247 ILE A CG2 1 ATOM 1810 C CG2 B ILE A 1 227 ? -13.469 -1.526 3.539 0.50 15.21 ? 247 ILE A CG2 1 ATOM 1811 C CD1 A ILE A 1 227 ? -12.402 1.613 3.423 0.50 14.54 ? 247 ILE A CD1 1 ATOM 1812 C CD1 B ILE A 1 227 ? -11.326 0.285 3.137 0.50 14.38 ? 247 ILE A CD1 1 ATOM 1813 N N . ASN A 1 228 ? -15.352 -2.383 0.532 1.00 12.97 ? 248 ASN A N 1 ATOM 1814 C CA . ASN A 1 228 ? -16.143 -3.580 0.406 1.00 14.50 ? 248 ASN A CA 1 ATOM 1815 C C . ASN A 1 228 ? -15.834 -4.384 -0.863 1.00 14.62 ? 248 ASN A C 1 ATOM 1816 O O . ASN A 1 228 ? -16.169 -5.561 -0.923 1.00 14.11 ? 248 ASN A O 1 ATOM 1817 C CB . ASN A 1 228 ? -17.622 -3.250 0.396 1.00 15.72 ? 248 ASN A CB 1 ATOM 1818 C CG . ASN A 1 228 ? -18.183 -2.812 1.763 1.00 16.95 ? 248 ASN A CG 1 ATOM 1819 O OD1 . ASN A 1 228 ? -17.510 -2.844 2.783 1.00 17.25 ? 248 ASN A OD1 1 ATOM 1820 N ND2 . ASN A 1 228 ? -19.450 -2.397 1.759 1.00 17.24 ? 248 ASN A ND2 1 ATOM 1821 N N . SER A 1 229 ? -15.240 -3.769 -1.885 1.00 14.96 ? 249 SER A N 1 ATOM 1822 C CA . SER A 1 229 ? -15.108 -4.409 -3.194 1.00 15.58 ? 249 SER A CA 1 ATOM 1823 C C . SER A 1 229 ? -13.699 -4.734 -3.682 1.00 15.46 ? 249 SER A C 1 ATOM 1824 O O . SER A 1 229 ? -13.545 -5.225 -4.775 1.00 15.51 ? 249 SER A O 1 ATOM 1825 C CB . SER A 1 229 ? -15.823 -3.533 -4.264 1.00 15.74 ? 249 SER A CB 1 ATOM 1826 O OG . SER A 1 229 ? -15.172 -2.264 -4.371 1.00 18.60 ? 249 SER A OG 1 ATOM 1827 N N . THR A 1 230 ? -12.672 -4.407 -2.920 1.00 14.28 ? 250 THR A N 1 ATOM 1828 C CA . THR A 1 230 ? -11.307 -4.436 -3.429 1.00 14.63 ? 250 THR A CA 1 ATOM 1829 C C . THR A 1 230 ? -10.503 -5.289 -2.519 1.00 15.24 ? 250 THR A C 1 ATOM 1830 O O . THR A 1 230 ? -10.687 -5.270 -1.281 1.00 13.09 ? 250 THR A O 1 ATOM 1831 C CB . THR A 1 230 ? -10.687 -3.010 -3.453 1.00 16.16 ? 250 THR A CB 1 ATOM 1832 O OG1 . THR A 1 230 ? -11.546 -2.098 -4.172 1.00 16.30 ? 250 THR A OG1 1 ATOM 1833 C CG2 . THR A 1 230 ? -9.293 -3.005 -4.135 1.00 17.21 ? 250 THR A CG2 1 ATOM 1834 N N . ASP A 1 231 ? -9.592 -6.077 -3.102 1.00 15.33 ? 251 ASP A N 1 ATOM 1835 C CA . ASP A 1 231 ? -8.660 -6.804 -2.275 1.00 15.13 ? 251 ASP A CA 1 ATOM 1836 C C . ASP A 1 231 ? -7.703 -5.794 -1.610 1.00 15.32 ? 251 ASP A C 1 ATOM 1837 O O . ASP A 1 231 ? -6.940 -5.130 -2.289 1.00 15.97 ? 251 ASP A O 1 ATOM 1838 C CB . ASP A 1 231 ? -7.938 -7.855 -3.121 1.00 17.11 ? 251 ASP A CB 1 ATOM 1839 C CG . ASP A 1 231 ? -7.078 -8.801 -2.297 1.00 17.69 ? 251 ASP A CG 1 ATOM 1840 O OD1 . ASP A 1 231 ? -6.391 -8.323 -1.368 1.00 16.17 ? 251 ASP A OD1 1 ATOM 1841 O OD2 . ASP A 1 231 ? -7.069 -10.017 -2.567 1.00 16.61 ? 251 ASP A OD2 1 ATOM 1842 N N . LEU A 1 232 ? -7.674 -5.769 -0.272 1.00 13.70 ? 252 LEU A N 1 ATOM 1843 C CA . LEU A 1 232 ? -7.010 -4.755 0.480 1.00 13.19 ? 252 LEU A CA 1 ATOM 1844 C C . LEU A 1 232 ? -5.557 -5.081 0.750 1.00 14.04 ? 252 LEU A C 1 ATOM 1845 O O . LEU A 1 232 ? -4.872 -4.288 1.383 1.00 13.00 ? 252 LEU A O 1 ATOM 1846 C CB . LEU A 1 232 ? -7.793 -4.454 1.789 1.00 12.28 ? 252 LEU A CB 1 ATOM 1847 C CG . LEU A 1 232 ? -9.231 -4.010 1.553 1.00 12.09 ? 252 LEU A CG 1 ATOM 1848 C CD1 . LEU A 1 232 ? -9.895 -3.696 2.883 1.00 10.74 ? 252 LEU A CD1 1 ATOM 1849 C CD2 . LEU A 1 232 ? -9.335 -2.833 0.582 1.00 12.63 ? 252 LEU A CD2 1 ATOM 1850 N N . SER A 1 233 ? -5.065 -6.228 0.267 1.00 14.48 ? 253 SER A N 1 ATOM 1851 C CA . SER A 1 233 ? -3.650 -6.522 0.394 1.00 14.65 ? 253 SER A CA 1 ATOM 1852 C C . SER A 1 233 ? -2.802 -5.842 -0.666 1.00 16.00 ? 253 SER A C 1 ATOM 1853 O O . SER A 1 233 ? -1.573 -6.000 -0.610 1.00 15.30 ? 253 SER A O 1 ATOM 1854 C CB . SER A 1 233 ? -3.397 -8.045 0.356 1.00 16.57 ? 253 SER A CB 1 ATOM 1855 O OG . SER A 1 233 ? -3.596 -8.568 -0.964 1.00 16.03 ? 253 SER A OG 1 ATOM 1856 N N . GLY A 1 234 ? -3.402 -5.062 -1.594 1.00 15.57 ? 254 GLY A N 1 ATOM 1857 C CA . GLY A 1 234 ? -2.616 -4.282 -2.604 1.00 16.67 ? 254 GLY A CA 1 ATOM 1858 C C . GLY A 1 234 ? -2.269 -2.862 -2.164 1.00 16.03 ? 254 GLY A C 1 ATOM 1859 O O . GLY A 1 234 ? -1.610 -2.649 -1.118 1.00 15.67 ? 254 GLY A O 1 ATOM 1860 N N . GLU A 1 235 ? -2.708 -1.873 -2.948 1.00 14.52 ? 255 GLU A N 1 ATOM 1861 C CA . GLU A 1 235 ? -2.460 -0.464 -2.615 1.00 15.04 ? 255 GLU A CA 1 ATOM 1862 C C . GLU A 1 235 ? -2.967 -0.043 -1.197 1.00 13.67 ? 255 GLU A C 1 ATOM 1863 O O . GLU A 1 235 ? -2.380 0.874 -0.558 1.00 12.30 ? 255 GLU A O 1 ATOM 1864 C CB . GLU A 1 235 ? -3.015 0.486 -3.688 1.00 14.97 ? 255 GLU A CB 1 ATOM 1865 C CG . GLU A 1 235 ? -4.514 0.496 -3.720 1.00 17.20 ? 255 GLU A CG 1 ATOM 1866 C CD . GLU A 1 235 ? -5.143 1.176 -4.964 0.50 16.38 ? 255 GLU A CD 1 ATOM 1867 O OE1 . GLU A 1 235 ? -4.460 1.877 -5.731 0.50 15.56 ? 255 GLU A OE1 1 ATOM 1868 O OE2 . GLU A 1 235 ? -6.344 0.999 -5.142 0.50 15.42 ? 255 GLU A OE2 1 ATOM 1869 N N . TYR A 1 236 ? -4.038 -0.683 -0.715 1.00 13.20 ? 256 TYR A N 1 ATOM 1870 C CA . TYR A 1 236 ? -4.579 -0.331 0.604 1.00 12.26 ? 256 TYR A CA 1 ATOM 1871 C C . TYR A 1 236 ? -3.556 -0.665 1.698 1.00 11.80 ? 256 TYR A C 1 ATOM 1872 O O . TYR A 1 236 ? -3.292 0.140 2.576 1.00 12.15 ? 256 TYR A O 1 ATOM 1873 C CB . TYR A 1 236 ? -5.865 -1.057 0.897 1.00 12.30 ? 256 TYR A CB 1 ATOM 1874 C CG . TYR A 1 236 ? -6.493 -0.694 2.207 1.00 12.50 ? 256 TYR A CG 1 ATOM 1875 C CD1 . TYR A 1 236 ? -7.410 0.337 2.294 1.00 13.05 ? 256 TYR A CD1 1 ATOM 1876 C CD2 . TYR A 1 236 ? -6.228 -1.436 3.406 1.00 12.32 ? 256 TYR A CD2 1 ATOM 1877 C CE1 . TYR A 1 236 ? -8.030 0.675 3.506 1.00 12.39 ? 256 TYR A CE1 1 ATOM 1878 C CE2 . TYR A 1 236 ? -6.826 -1.074 4.627 1.00 12.40 ? 256 TYR A CE2 1 ATOM 1879 C CZ . TYR A 1 236 ? -7.742 -0.008 4.662 1.00 11.91 ? 256 TYR A CZ 1 ATOM 1880 O OH . TYR A 1 236 ? -8.419 0.380 5.786 1.00 10.83 ? 256 TYR A OH 1 ATOM 1881 N N . TYR A 1 237 ? -3.016 -1.871 1.618 1.00 11.75 ? 257 TYR A N 1 ATOM 1882 C CA . TYR A 1 237 ? -1.890 -2.273 2.491 1.00 12.38 ? 257 TYR A CA 1 ATOM 1883 C C . TYR A 1 237 ? -0.707 -1.267 2.403 1.00 12.42 ? 257 TYR A C 1 ATOM 1884 O O . TYR A 1 237 ? -0.137 -0.860 3.433 1.00 11.63 ? 257 TYR A O 1 ATOM 1885 C CB . TYR A 1 237 ? -1.410 -3.670 2.138 1.00 12.99 ? 257 TYR A CB 1 ATOM 1886 C CG . TYR A 1 237 ? -0.095 -4.027 2.802 1.00 13.17 ? 257 TYR A CG 1 ATOM 1887 C CD1 . TYR A 1 237 ? -0.052 -4.395 4.123 1.00 12.89 ? 257 TYR A CD1 1 ATOM 1888 C CD2 . TYR A 1 237 ? 1.130 -3.921 2.094 1.00 14.75 ? 257 TYR A CD2 1 ATOM 1889 C CE1 . TYR A 1 237 ? 1.160 -4.710 4.756 1.00 14.05 ? 257 TYR A CE1 1 ATOM 1890 C CE2 . TYR A 1 237 ? 2.323 -4.237 2.684 1.00 14.37 ? 257 TYR A CE2 1 ATOM 1891 C CZ . TYR A 1 237 ? 2.327 -4.645 4.024 1.00 14.38 ? 257 TYR A CZ 1 ATOM 1892 O OH . TYR A 1 237 ? 3.525 -4.961 4.635 1.00 15.20 ? 257 TYR A OH 1 ATOM 1893 N N . ASP A 1 238 ? -0.291 -0.936 1.181 1.00 13.33 ? 258 ASP A N 1 ATOM 1894 C CA . ASP A 1 238 ? 0.764 0.002 0.965 1.00 15.34 ? 258 ASP A CA 1 ATOM 1895 C C . ASP A 1 238 ? 0.557 1.377 1.625 1.00 14.77 ? 258 ASP A C 1 ATOM 1896 O O . ASP A 1 238 ? 1.473 1.913 2.252 1.00 13.40 ? 258 ASP A O 1 ATOM 1897 C CB . ASP A 1 238 ? 1.034 0.190 -0.521 1.00 17.64 ? 258 ASP A CB 1 ATOM 1898 C CG . ASP A 1 238 ? 1.577 -1.090 -1.195 1.00 18.80 ? 258 ASP A CG 1 ATOM 1899 O OD1 . ASP A 1 238 ? 2.238 -1.915 -0.529 1.00 22.13 ? 258 ASP A OD1 1 ATOM 1900 O OD2 . ASP A 1 238 ? 1.285 -1.244 -2.395 1.00 19.57 ? 258 ASP A OD2 1 ATOM 1901 N N . LYS A 1 239 ? -0.637 1.910 1.465 1.00 14.03 ? 259 LYS A N 1 ATOM 1902 C CA . LYS A 1 239 ? -1.058 3.164 2.124 1.00 16.60 ? 259 LYS A CA 1 ATOM 1903 C C . LYS A 1 239 ? -1.122 3.018 3.685 1.00 13.86 ? 259 LYS A C 1 ATOM 1904 O O . LYS A 1 239 ? -0.777 3.953 4.402 1.00 14.54 ? 259 LYS A O 1 ATOM 1905 C CB . LYS A 1 239 ? -2.415 3.625 1.497 1.00 20.49 ? 259 LYS A CB 1 ATOM 1906 C CG . LYS A 1 239 ? -3.326 4.445 2.369 1.00 25.30 ? 259 LYS A CG 1 ATOM 1907 C CD . LYS A 1 239 ? -4.304 3.581 3.122 1.00 29.14 ? 259 LYS A CD 1 ATOM 1908 C CE . LYS A 1 239 ? -5.617 3.417 2.409 1.00 30.74 ? 259 LYS A CE 1 ATOM 1909 N NZ . LYS A 1 239 ? -6.279 4.714 2.134 1.00 35.01 ? 259 LYS A NZ 1 ATOM 1910 N N . SER A 1 240 ? -1.550 1.867 4.184 1.00 12.53 ? 260 SER A N 1 ATOM 1911 C CA . SER A 1 240 ? -1.762 1.625 5.635 1.00 11.33 ? 260 SER A CA 1 ATOM 1912 C C . SER A 1 240 ? -0.481 1.406 6.380 1.00 10.89 ? 260 SER A C 1 ATOM 1913 O O . SER A 1 240 ? -0.367 1.750 7.563 1.00 9.84 ? 260 SER A O 1 ATOM 1914 C CB . SER A 1 240 ? -2.695 0.463 5.869 1.00 11.28 ? 260 SER A CB 1 ATOM 1915 O OG . SER A 1 240 ? -3.953 0.710 5.234 1.00 13.42 ? 260 SER A OG 1 ATOM 1916 N N . GLN A 1 241 ? 0.506 0.832 5.703 1.00 11.05 ? 261 GLN A N 1 ATOM 1917 C CA . GLN A 1 241 ? 1.705 0.386 6.398 1.00 11.37 ? 261 GLN A CA 1 ATOM 1918 C C . GLN A 1 241 ? 2.428 1.508 7.148 1.00 11.23 ? 261 GLN A C 1 ATOM 1919 O O . GLN A 1 241 ? 2.789 1.322 8.274 1.00 10.74 ? 261 GLN A O 1 ATOM 1920 C CB . GLN A 1 241 ? 2.638 -0.430 5.478 1.00 12.72 ? 261 GLN A CB 1 ATOM 1921 C CG . GLN A 1 241 ? 3.915 -0.928 6.173 1.00 13.20 ? 261 GLN A CG 1 ATOM 1922 C CD . GLN A 1 241 ? 4.862 -1.663 5.257 1.00 14.38 ? 261 GLN A CD 1 ATOM 1923 O OE1 . GLN A 1 241 ? 4.632 -1.729 4.045 1.00 15.56 ? 261 GLN A OE1 1 ATOM 1924 N NE2 . GLN A 1 241 ? 5.969 -2.194 5.824 1.00 14.27 ? 261 GLN A NE2 1 ATOM 1925 N N . PRO A 1 242 ? 2.650 2.660 6.535 1.00 11.89 ? 262 PRO A N 1 ATOM 1926 C CA . PRO A 1 242 ? 3.358 3.740 7.250 1.00 12.29 ? 262 PRO A CA 1 ATOM 1927 C C . PRO A 1 242 ? 2.602 4.253 8.455 1.00 11.11 ? 262 PRO A C 1 ATOM 1928 O O . PRO A 1 242 ? 3.209 4.712 9.430 1.00 11.39 ? 262 PRO A O 1 ATOM 1929 C CB . PRO A 1 242 ? 3.454 4.899 6.202 1.00 13.13 ? 262 PRO A CB 1 ATOM 1930 C CG . PRO A 1 242 ? 2.719 4.437 5.019 1.00 14.97 ? 262 PRO A CG 1 ATOM 1931 C CD . PRO A 1 242 ? 2.437 2.981 5.114 1.00 13.04 ? 262 PRO A CD 1 ATOM 1932 N N . VAL A 1 243 ? 1.277 4.171 8.369 1.00 11.34 ? 263 VAL A N 1 ATOM 1933 C CA . VAL A 1 243 ? 0.381 4.607 9.462 1.00 10.74 ? 263 VAL A CA 1 ATOM 1934 C C . VAL A 1 243 ? 0.421 3.634 10.652 1.00 9.98 ? 263 VAL A C 1 ATOM 1935 O O . VAL A 1 243 ? 0.665 4.083 11.782 1.00 8.93 ? 263 VAL A O 1 ATOM 1936 C CB . VAL A 1 243 ? -1.074 4.815 8.923 1.00 10.86 ? 263 VAL A CB 1 ATOM 1937 C CG1 . VAL A 1 243 ? -2.045 4.957 10.059 1.00 10.49 ? 263 VAL A CG1 1 ATOM 1938 C CG2 . VAL A 1 243 ? -1.066 6.036 7.989 1.00 11.58 ? 263 VAL A CG2 1 ATOM 1939 N N . PHE A 1 244 ? 0.198 2.307 10.429 1.00 9.45 ? 264 PHE A N 1 ATOM 1940 C CA . PHE A 1 244 ? 0.236 1.403 11.553 1.00 9.86 ? 264 PHE A CA 1 ATOM 1941 C C . PHE A 1 244 ? 1.611 1.299 12.125 1.00 9.19 ? 264 PHE A C 1 ATOM 1942 O O . PHE A 1 244 ? 1.763 1.094 13.315 1.00 9.06 ? 264 PHE A O 1 ATOM 1943 C CB . PHE A 1 244 ? -0.453 0.021 11.362 1.00 9.79 ? 264 PHE A CB 1 ATOM 1944 C CG . PHE A 1 244 ? 0.089 -0.852 10.264 1.00 10.28 ? 264 PHE A CG 1 ATOM 1945 C CD1 . PHE A 1 244 ? 1.245 -1.576 10.422 1.00 10.95 ? 264 PHE A CD1 1 ATOM 1946 C CD2 . PHE A 1 244 ? -0.642 -1.060 9.115 1.00 10.88 ? 264 PHE A CD2 1 ATOM 1947 C CE1 . PHE A 1 244 ? 1.700 -2.428 9.448 1.00 10.93 ? 264 PHE A CE1 1 ATOM 1948 C CE2 . PHE A 1 244 ? -0.200 -1.890 8.122 1.00 10.54 ? 264 PHE A CE2 1 ATOM 1949 C CZ . PHE A 1 244 ? 0.972 -2.596 8.293 1.00 10.69 ? 264 PHE A CZ 1 ATOM 1950 N N . GLU A 1 245 ? 2.635 1.455 11.285 1.00 9.20 ? 265 GLU A N 1 ATOM 1951 C CA . GLU A 1 245 ? 4.006 1.442 11.809 1.00 9.48 ? 265 GLU A CA 1 ATOM 1952 C C . GLU A 1 245 ? 4.287 2.662 12.718 1.00 9.31 ? 265 GLU A C 1 ATOM 1953 O O . GLU A 1 245 ? 4.820 2.498 13.822 1.00 8.64 ? 265 GLU A O 1 ATOM 1954 C CB . GLU A 1 245 ? 5.010 1.295 10.663 1.00 9.56 ? 265 GLU A CB 1 ATOM 1955 C CG . GLU A 1 245 ? 4.959 -0.147 10.137 1.00 9.47 ? 265 GLU A CG 1 ATOM 1956 C CD . GLU A 1 245 ? 6.007 -0.497 9.054 1.00 10.52 ? 265 GLU A CD 1 ATOM 1957 O OE1 . GLU A 1 245 ? 6.115 -1.709 8.791 1.00 11.13 ? 265 GLU A OE1 1 ATOM 1958 O OE2 . GLU A 1 245 ? 6.679 0.396 8.495 1.00 11.12 ? 265 GLU A OE2 1 ATOM 1959 N N . GLU A 1 246 ? 3.894 3.854 12.277 1.00 9.06 ? 266 GLU A N 1 ATOM 1960 C CA . GLU A 1 246 ? 4.049 4.991 13.138 1.00 9.88 ? 266 GLU A CA 1 ATOM 1961 C C . GLU A 1 246 ? 3.240 4.885 14.415 1.00 9.45 ? 266 GLU A C 1 ATOM 1962 O O . GLU A 1 246 ? 3.728 5.276 15.513 1.00 9.39 ? 266 GLU A O 1 ATOM 1963 C CB . GLU A 1 246 ? 3.742 6.318 12.404 1.00 11.26 ? 266 GLU A CB 1 ATOM 1964 C CG . GLU A 1 246 ? 4.138 7.501 13.241 1.00 12.81 ? 266 GLU A CG 1 ATOM 1965 C CD . GLU A 1 246 ? 3.808 8.849 12.622 1.00 15.33 ? 266 GLU A CD 1 ATOM 1966 O OE1 . GLU A 1 246 ? 3.543 9.799 13.363 1.00 17.67 ? 266 GLU A OE1 1 ATOM 1967 O OE2 . GLU A 1 246 ? 3.730 8.964 11.405 1.00 21.10 ? 266 GLU A OE2 1 ATOM 1968 N N . LEU A 1 247 ? 2.033 4.324 14.314 1.00 9.36 ? 267 LEU A N 1 ATOM 1969 C CA . LEU A 1 247 ? 1.189 4.232 15.509 1.00 9.14 ? 267 LEU A CA 1 ATOM 1970 C C . LEU A 1 247 ? 1.724 3.212 16.512 1.00 9.00 ? 267 LEU A C 1 ATOM 1971 O O . LEU A 1 247 ? 1.631 3.411 17.721 1.00 9.18 ? 267 LEU A O 1 ATOM 1972 C CB . LEU A 1 247 ? -0.276 3.958 15.126 1.00 9.66 ? 267 LEU A CB 1 ATOM 1973 C CG . LEU A 1 247 ? -0.965 5.137 14.451 1.00 10.10 ? 267 LEU A CG 1 ATOM 1974 C CD1 . LEU A 1 247 ? -2.257 4.669 13.800 1.00 10.36 ? 267 LEU A CD1 1 ATOM 1975 C CD2 . LEU A 1 247 ? -1.197 6.203 15.473 1.00 10.75 ? 267 LEU A CD2 1 ATOM 1976 N N . ILE A 1 248 ? 2.298 2.116 16.020 1.00 9.02 ? 268 ILE A N 1 ATOM 1977 C CA . ILE A 1 248 ? 2.885 1.152 16.887 1.00 9.22 ? 268 ILE A CA 1 ATOM 1978 C C . ILE A 1 248 ? 4.118 1.766 17.593 1.00 8.80 ? 268 ILE A C 1 ATOM 1979 O O . ILE A 1 248 ? 4.376 1.512 18.782 1.00 8.69 ? 268 ILE A O 1 ATOM 1980 C CB . ILE A 1 248 ? 3.220 -0.152 16.097 1.00 9.45 ? 268 ILE A CB 1 ATOM 1981 C CG1 . ILE A 1 248 ? 1.904 -0.908 15.869 1.00 9.94 ? 268 ILE A CG1 1 ATOM 1982 C CG2 . ILE A 1 248 ? 4.262 -0.974 16.810 1.00 9.60 ? 268 ILE A CG2 1 ATOM 1983 C CD1 . ILE A 1 248 ? 1.993 -2.003 14.872 1.00 11.11 ? 268 ILE A CD1 1 ATOM 1984 N N . ALA A 1 249 ? 4.905 2.490 16.812 1.00 9.20 ? 269 ALA A N 1 ATOM 1985 C CA . ALA A 1 249 ? 6.047 3.232 17.336 1.00 8.98 ? 269 ALA A CA 1 ATOM 1986 C C . ALA A 1 249 ? 5.625 4.242 18.431 1.00 9.14 ? 269 ALA A C 1 ATOM 1987 O O . ALA A 1 249 ? 6.216 4.261 19.546 1.00 9.00 ? 269 ALA A O 1 ATOM 1988 C CB . ALA A 1 249 ? 6.788 3.875 16.243 1.00 9.12 ? 269 ALA A CB 1 ATOM 1989 N N . LYS A 1 250 ? 4.583 5.019 18.158 1.00 9.41 ? 270 LYS A N 1 ATOM 1990 C CA . LYS A 1 250 ? 4.050 5.927 19.149 1.00 9.95 ? 270 LYS A CA 1 ATOM 1991 C C . LYS A 1 250 ? 3.625 5.179 20.433 1.00 9.32 ? 270 LYS A C 1 ATOM 1992 O O . LYS A 1 250 ? 3.868 5.668 21.565 1.00 9.59 ? 270 LYS A O 1 ATOM 1993 C CB . LYS A 1 250 ? 2.861 6.708 18.592 1.00 10.01 ? 270 LYS A CB 1 ATOM 1994 C CG . LYS A 1 250 ? 3.265 7.832 17.626 1.00 10.97 ? 270 LYS A CG 1 ATOM 1995 C CD . LYS A 1 250 ? 2.016 8.549 17.094 1.00 12.03 ? 270 LYS A CD 1 ATOM 1996 C CE . LYS A 1 250 ? 2.338 9.898 16.523 1.00 12.95 ? 270 LYS A CE 1 ATOM 1997 N NZ . LYS A 1 250 ? 1.163 10.456 15.845 1.00 14.48 ? 270 LYS A NZ 1 ATOM 1998 N N . ALA A 1 251 ? 2.930 4.054 20.245 1.00 9.40 ? 271 ALA A N 1 ATOM 1999 C CA . ALA A 1 251 ? 2.381 3.298 21.367 1.00 8.70 ? 271 ALA A CA 1 ATOM 2000 C C . ALA A 1 251 ? 3.552 2.827 22.251 1.00 8.62 ? 271 ALA A C 1 ATOM 2001 O O . ALA A 1 251 ? 3.527 3.027 23.446 1.00 7.95 ? 271 ALA A O 1 ATOM 2002 C CB . ALA A 1 251 ? 1.580 2.103 20.869 1.00 8.57 ? 271 ALA A CB 1 ATOM 2003 N N . GLY A 1 252 ? 4.622 2.332 21.628 1.00 8.49 ? 272 GLY A N 1 ATOM 2004 C CA . GLY A 1 252 ? 5.753 1.806 22.409 1.00 9.03 ? 272 GLY A CA 1 ATOM 2005 C C . GLY A 1 252 ? 6.490 2.897 23.150 1.00 9.27 ? 272 GLY A C 1 ATOM 2006 O O . GLY A 1 252 ? 6.847 2.770 24.355 1.00 8.46 ? 272 GLY A O 1 ATOM 2007 N N . TYR A 1 253 ? 6.656 4.025 22.457 1.00 9.53 ? 273 TYR A N 1 ATOM 2008 C CA . TYR A 1 253 ? 7.386 5.164 23.025 1.00 10.46 ? 273 TYR A CA 1 ATOM 2009 C C . TYR A 1 253 ? 6.590 5.785 24.180 1.00 10.03 ? 273 TYR A C 1 ATOM 2010 O O . TYR A 1 253 ? 7.133 6.076 25.263 1.00 8.99 ? 273 TYR A O 1 ATOM 2011 C CB . TYR A 1 253 ? 7.682 6.174 21.935 1.00 10.94 ? 273 TYR A CB 1 ATOM 2012 C CG . TYR A 1 253 ? 8.638 7.244 22.336 1.00 12.39 ? 273 TYR A CG 1 ATOM 2013 C CD1 . TYR A 1 253 ? 10.019 6.973 22.480 1.00 12.82 ? 273 TYR A CD1 1 ATOM 2014 C CD2 . TYR A 1 253 ? 8.209 8.557 22.497 1.00 13.11 ? 273 TYR A CD2 1 ATOM 2015 C CE1 . TYR A 1 253 ? 10.899 7.975 22.861 1.00 13.89 ? 273 TYR A CE1 1 ATOM 2016 C CE2 . TYR A 1 253 ? 9.099 9.553 22.851 1.00 13.88 ? 273 TYR A CE2 1 ATOM 2017 C CZ . TYR A 1 253 ? 10.435 9.255 23.017 1.00 14.30 ? 273 TYR A CZ 1 ATOM 2018 O OH . TYR A 1 253 ? 11.293 10.296 23.365 1.00 16.63 ? 273 TYR A OH 1 ATOM 2019 N N . ARG A 1 254 ? 5.290 5.934 23.958 1.00 9.67 ? 274 ARG A N 1 ATOM 2020 C CA . ARG A 1 254 ? 4.406 6.493 24.980 1.00 9.64 ? 274 ARG A CA 1 ATOM 2021 C C . ARG A 1 254 ? 4.258 5.554 26.135 1.00 9.16 ? 274 ARG A C 1 ATOM 2022 O O . ARG A 1 254 ? 4.232 5.958 27.283 1.00 9.03 ? 274 ARG A O 1 ATOM 2023 C CB . ARG A 1 254 ? 3.063 6.859 24.372 1.00 10.45 ? 274 ARG A CB 1 ATOM 2024 C CG . ARG A 1 254 ? 3.120 8.137 23.529 1.00 11.33 ? 274 ARG A CG 1 ATOM 2025 C CD . ARG A 1 254 ? 1.993 8.216 22.538 1.00 12.55 ? 274 ARG A CD 1 ATOM 2026 N NE . ARG A 1 254 ? 1.930 9.489 21.874 1.00 12.55 ? 274 ARG A NE 1 ATOM 2027 C CZ . ARG A 1 254 ? 1.128 9.810 20.873 1.00 12.55 ? 274 ARG A CZ 1 ATOM 2028 N NH1 . ARG A 1 254 ? 0.256 8.988 20.373 1.00 11.73 ? 274 ARG A NH1 1 ATOM 2029 N NH2 . ARG A 1 254 ? 1.194 11.029 20.362 1.00 14.75 ? 274 ARG A NH2 1 ATOM 2030 N N . LEU A 1 255 ? 4.145 4.264 25.855 1.00 8.54 ? 275 LEU A N 1 ATOM 2031 C CA . LEU A 1 255 ? 4.118 3.264 26.912 1.00 8.93 ? 275 LEU A CA 1 ATOM 2032 C C . LEU A 1 255 ? 5.358 3.367 27.802 1.00 9.17 ? 275 LEU A C 1 ATOM 2033 O O . LEU A 1 255 ? 5.245 3.360 29.035 1.00 9.30 ? 275 LEU A O 1 ATOM 2034 C CB . LEU A 1 255 ? 3.998 1.834 26.350 1.00 9.04 ? 275 LEU A CB 1 ATOM 2035 C CG . LEU A 1 255 ? 4.093 0.695 27.369 1.00 9.23 ? 275 LEU A CG 1 ATOM 2036 C CD1 . LEU A 1 255 ? 3.039 0.756 28.464 1.00 9.42 ? 275 LEU A CD1 1 ATOM 2037 C CD2 . LEU A 1 255 ? 3.902 -0.619 26.626 1.00 9.78 ? 275 LEU A CD2 1 ATOM 2038 N N . ALA A 1 256 ? 6.537 3.509 27.194 1.00 9.35 ? 276 ALA A N 1 ATOM 2039 C CA . ALA A 1 256 ? 7.769 3.650 27.977 1.00 9.61 ? 276 ALA A CA 1 ATOM 2040 C C . ALA A 1 256 ? 7.716 4.891 28.876 1.00 10.07 ? 276 ALA A C 1 ATOM 2041 O O . ALA A 1 256 ? 8.034 4.806 30.072 1.00 9.42 ? 276 ALA A O 1 ATOM 2042 C CB . ALA A 1 256 ? 9.010 3.739 27.058 1.00 9.60 ? 276 ALA A CB 1 ATOM 2043 N N . ALA A 1 257 ? 7.321 6.028 28.293 1.00 9.87 ? 277 ALA A N 1 ATOM 2044 C CA . ALA A 1 257 ? 7.197 7.277 29.067 1.00 10.06 ? 277 ALA A CA 1 ATOM 2045 C C . ALA A 1 257 ? 6.251 7.115 30.254 1.00 10.54 ? 277 ALA A C 1 ATOM 2046 O O . ALA A 1 257 ? 6.548 7.558 31.388 1.00 11.01 ? 277 ALA A O 1 ATOM 2047 C CB . ALA A 1 257 ? 6.740 8.416 28.163 1.00 10.54 ? 277 ALA A CB 1 ATOM 2048 N N . TRP A 1 258 ? 5.118 6.431 30.015 1.00 9.96 ? 278 TRP A N 1 ATOM 2049 C CA . TRP A 1 258 ? 4.121 6.273 31.044 1.00 9.63 ? 278 TRP A CA 1 ATOM 2050 C C . TRP A 1 258 ? 4.605 5.334 32.170 1.00 10.12 ? 278 TRP A C 1 ATOM 2051 O O . TRP A 1 258 ? 4.423 5.641 33.397 1.00 9.54 ? 278 TRP A O 1 ATOM 2052 C CB . TRP A 1 258 ? 2.831 5.737 30.405 1.00 10.08 ? 278 TRP A CB 1 ATOM 2053 C CG . TRP A 1 258 ? 1.636 5.868 31.223 1.00 10.18 ? 278 TRP A CG 1 ATOM 2054 C CD1 . TRP A 1 258 ? 0.867 4.852 31.711 1.00 10.54 ? 278 TRP A CD1 1 ATOM 2055 C CD2 . TRP A 1 258 ? 0.979 7.089 31.605 1.00 11.10 ? 278 TRP A CD2 1 ATOM 2056 N NE1 . TRP A 1 258 ? -0.224 5.361 32.395 1.00 10.38 ? 278 TRP A NE1 1 ATOM 2057 C CE2 . TRP A 1 258 ? -0.171 6.732 32.350 1.00 10.68 ? 278 TRP A CE2 1 ATOM 2058 C CE3 . TRP A 1 258 ? 1.265 8.457 31.406 1.00 11.21 ? 278 TRP A CE3 1 ATOM 2059 C CZ2 . TRP A 1 258 ? -1.062 7.689 32.875 1.00 11.32 ? 278 TRP A CZ2 1 ATOM 2060 C CZ3 . TRP A 1 258 ? 0.388 9.413 31.984 1.00 11.69 ? 278 TRP A CZ3 1 ATOM 2061 C CH2 . TRP A 1 258 ? -0.771 9.013 32.677 1.00 11.34 ? 278 TRP A CH2 1 ATOM 2062 N N . LEU A 1 259 ? 5.291 4.246 31.793 1.00 9.83 ? 279 LEU A N 1 ATOM 2063 C CA . LEU A 1 259 ? 5.879 3.335 32.756 1.00 10.86 ? 279 LEU A CA 1 ATOM 2064 C C . LEU A 1 259 ? 6.951 4.039 33.587 1.00 11.30 ? 279 LEU A C 1 ATOM 2065 O O . LEU A 1 259 ? 7.025 3.868 34.814 1.00 11.81 ? 279 LEU A O 1 ATOM 2066 C CB . LEU A 1 259 ? 6.427 2.097 32.040 1.00 10.94 ? 279 LEU A CB 1 ATOM 2067 C CG . LEU A 1 259 ? 5.365 1.215 31.387 1.00 11.80 ? 279 LEU A CG 1 ATOM 2068 C CD1 . LEU A 1 259 ? 6.037 0.034 30.684 1.00 12.00 ? 279 LEU A CD1 1 ATOM 2069 C CD2 . LEU A 1 259 ? 4.379 0.709 32.433 1.00 11.77 ? 279 LEU A CD2 1 ATOM 2070 N N . ASP A 1 260 ? 7.766 4.858 32.932 1.00 12.51 ? 280 ASP A N 1 ATOM 2071 C CA . ASP A 1 260 ? 8.786 5.649 33.660 1.00 13.56 ? 280 ASP A CA 1 ATOM 2072 C C . ASP A 1 260 ? 8.119 6.537 34.717 1.00 13.68 ? 280 ASP A C 1 ATOM 2073 O O . ASP A 1 260 ? 8.590 6.630 35.863 1.00 13.76 ? 280 ASP A O 1 ATOM 2074 C CB . ASP A 1 260 ? 9.632 6.502 32.721 1.00 13.72 ? 280 ASP A CB 1 ATOM 2075 C CG . ASP A 1 260 ? 10.769 5.764 32.063 1.00 15.19 ? 280 ASP A CG 1 ATOM 2076 O OD1 . ASP A 1 260 ? 11.210 4.678 32.474 1.00 14.82 ? 280 ASP A OD1 1 ATOM 2077 O OD2 . ASP A 1 260 ? 11.283 6.349 31.083 1.00 17.10 ? 280 ASP A OD2 1 ATOM 2078 N N . LEU A 1 261 ? 7.040 7.213 34.345 1.00 13.63 ? 281 LEU A N 1 ATOM 2079 C CA . LEU A 1 261 ? 6.283 8.003 35.313 1.00 14.37 ? 281 LEU A CA 1 ATOM 2080 C C . LEU A 1 261 ? 5.693 7.220 36.490 1.00 14.44 ? 281 LEU A C 1 ATOM 2081 O O . LEU A 1 261 ? 5.786 7.645 37.658 1.00 14.10 ? 281 LEU A O 1 ATOM 2082 C CB . LEU A 1 261 ? 5.220 8.823 34.608 1.00 14.41 ? 281 LEU A CB 1 ATOM 2083 C CG . LEU A 1 261 ? 5.760 9.980 33.770 1.00 16.37 ? 281 LEU A CG 1 ATOM 2084 C CD1 . LEU A 1 261 ? 4.731 10.464 32.743 1.00 17.05 ? 281 LEU A CD1 1 ATOM 2085 C CD2 . LEU A 1 261 ? 6.173 11.135 34.700 1.00 17.89 ? 281 LEU A CD2 1 ATOM 2086 N N . ILE A 1 262 ? 5.093 6.076 36.175 1.00 13.45 ? 282 ILE A N 1 ATOM 2087 C CA . ILE A 1 262 ? 4.533 5.184 37.175 1.00 13.63 ? 282 ILE A CA 1 ATOM 2088 C C . ILE A 1 262 ? 5.635 4.735 38.128 1.00 14.52 ? 282 ILE A C 1 ATOM 2089 O O . ILE A 1 262 ? 5.439 4.755 39.379 1.00 15.78 ? 282 ILE A O 1 ATOM 2090 C CB . ILE A 1 262 ? 3.809 3.976 36.545 1.00 12.88 ? 282 ILE A CB 1 ATOM 2091 C CG1 . ILE A 1 262 ? 2.568 4.444 35.816 1.00 12.53 ? 282 ILE A CG1 1 ATOM 2092 C CG2 . ILE A 1 262 ? 3.486 2.926 37.605 1.00 13.11 ? 282 ILE A CG2 1 ATOM 2093 C CD1 . ILE A 1 262 ? 1.926 3.405 34.921 1.00 12.25 ? 282 ILE A CD1 1 ATOM 2094 N N . ALA A 1 263 ? 6.781 4.332 37.584 1.00 14.41 ? 283 ALA A N 1 ATOM 2095 C CA . ALA A 1 263 ? 7.829 3.739 38.410 1.00 14.68 ? 283 ALA A CA 1 ATOM 2096 C C . ALA A 1 263 ? 8.500 4.838 39.265 1.00 16.38 ? 283 ALA A C 1 ATOM 2097 O O . ALA A 1 263 ? 9.118 4.521 40.297 1.00 16.31 ? 283 ALA A O 1 ATOM 2098 C CB . ALA A 1 263 ? 8.882 3.054 37.562 1.00 15.86 ? 283 ALA A CB 1 ATOM 2099 N N . SER A 1 264 ? 8.406 6.108 38.830 1.00 17.10 ? 284 SER A N 1 ATOM 2100 C CA . SER A 1 264 ? 8.941 7.243 39.598 1.00 18.72 ? 284 SER A CA 1 ATOM 2101 C C . SER A 1 264 ? 8.123 7.520 40.862 1.00 21.09 ? 284 SER A C 1 ATOM 2102 O O . SER A 1 264 ? 8.599 8.241 41.727 1.00 23.22 ? 284 SER A O 1 ATOM 2103 C CB . SER A 1 264 ? 9.042 8.492 38.715 1.00 19.25 ? 284 SER A CB 1 ATOM 2104 O OG . SER A 1 264 ? 7.749 9.082 38.552 1.00 20.80 ? 284 SER A OG 1 ATOM 2105 N N . GLN A 1 265 ? 6.903 6.956 40.950 1.00 23.58 ? 285 GLN A N 1 ATOM 2106 C CA . GLN A 1 265 ? 6.037 6.950 42.160 1.00 24.88 ? 285 GLN A CA 1 ATOM 2107 C C . GLN A 1 265 ? 5.852 8.348 42.691 1.00 27.59 ? 285 GLN A C 1 ATOM 2108 O O . GLN A 1 265 ? 6.266 8.652 43.823 1.00 25.74 ? 285 GLN A O 1 ATOM 2109 C CB . GLN A 1 265 ? 6.565 6.028 43.278 1.00 25.14 ? 285 GLN A CB 1 ATOM 2110 C CG . GLN A 1 265 ? 6.492 4.561 42.891 1.00 24.65 ? 285 GLN A CG 1 ATOM 2111 C CD . GLN A 1 265 ? 5.092 4.030 43.041 1.00 24.54 ? 285 GLN A CD 1 ATOM 2112 O OE1 . GLN A 1 265 ? 4.619 3.864 44.173 1.00 25.66 ? 285 GLN A OE1 1 ATOM 2113 N NE2 . GLN A 1 265 ? 4.420 3.725 41.922 1.00 22.64 ? 285 GLN A NE2 1 ATOM 2114 N N . PRO A 1 266 ? 5.238 9.216 41.871 1.00 26.86 ? 286 PRO A N 1 ATOM 2115 C CA . PRO A 1 266 ? 4.967 10.577 42.356 1.00 31.56 ? 286 PRO A CA 1 ATOM 2116 C C . PRO A 1 266 ? 3.965 10.550 43.558 1.00 37.98 ? 286 PRO A C 1 ATOM 2117 O O . PRO A 1 266 ? 3.040 9.736 43.566 1.00 36.51 ? 286 PRO A O 1 ATOM 2118 C CB . PRO A 1 266 ? 4.386 11.276 41.106 1.00 28.44 ? 286 PRO A CB 1 ATOM 2119 C CG . PRO A 1 266 ? 3.834 10.170 40.271 1.00 27.60 ? 286 PRO A CG 1 ATOM 2120 C CD . PRO A 1 266 ? 4.633 8.940 40.551 1.00 24.55 ? 286 PRO A CD 1 ATOM 2121 N N . SER A 1 267 ? 4.166 11.401 44.565 1.00 46.35 ? 287 SER A N 1 ATOM 2122 C CA . SER A 1 267 ? 3.161 11.511 45.658 1.00 55.11 ? 287 SER A CA 1 ATOM 2123 C C . SER A 1 267 ? 1.971 12.327 45.175 1.00 57.71 ? 287 SER A C 1 ATOM 2124 O O . SER A 1 267 ? 2.057 12.992 44.135 1.00 59.80 ? 287 SER A O 1 ATOM 2125 C CB . SER A 1 267 ? 3.736 12.093 46.952 1.00 53.43 ? 287 SER A CB 1 ATOM 2126 O OG . SER A 1 267 ? 4.526 13.233 46.701 1.00 58.61 ? 287 SER A OG 1 ATOM 2127 O OXT . SER A 1 267 ? 0.901 12.287 45.791 1.00 65.13 ? 287 SER A OXT 1 HETATM 2128 ZN ZN . ZN B 2 . ? -5.118 -5.378 20.531 1.00 10.25 2 401 ZN A ZN 1 HETATM 2129 ZN ZN . ZN C 2 . ? -6.924 -5.756 23.259 1.00 9.86 2 402 ZN A ZN 1 HETATM 2130 ZN ZN . ZN D 2 . ? -8.854 -5.556 17.833 1.00 10.87 2 403 ZN A ZN 1 HETATM 2131 C C1 . NAG E 3 . ? -10.540 1.184 39.976 1.00 32.30 ? 501 NAG A C1 1 HETATM 2132 C C2 . NAG E 3 . ? -10.527 2.133 41.179 1.00 33.90 ? 501 NAG A C2 1 HETATM 2133 C C3 . NAG E 3 . ? -11.553 1.706 42.240 1.00 35.39 ? 501 NAG A C3 1 HETATM 2134 C C4 . NAG E 3 . ? -12.930 1.362 41.615 1.00 35.08 ? 501 NAG A C4 1 HETATM 2135 C C5 . NAG E 3 . ? -12.769 0.360 40.470 1.00 34.81 ? 501 NAG A C5 1 HETATM 2136 C C6 . NAG E 3 . ? -14.055 -0.052 39.727 1.00 34.54 ? 501 NAG A C6 1 HETATM 2137 C C7 . NAG E 3 . ? -8.329 3.118 41.638 1.00 39.76 ? 501 NAG A C7 1 HETATM 2138 C C8 . NAG E 3 . ? -6.983 2.959 42.329 1.00 37.61 ? 501 NAG A C8 1 HETATM 2139 N N2 . NAG E 3 . ? -9.202 2.102 41.758 1.00 32.63 ? 501 NAG A N2 1 HETATM 2140 O O3 . NAG E 3 . ? -11.679 2.769 43.187 1.00 32.89 ? 501 NAG A O3 1 HETATM 2141 O O4 . NAG E 3 . ? -13.739 0.760 42.624 1.00 36.94 ? 501 NAG A O4 1 HETATM 2142 O O5 . NAG E 3 . ? -11.888 0.940 39.514 1.00 33.47 ? 501 NAG A O5 1 HETATM 2143 O O6 . NAG E 3 . ? -14.573 1.090 39.054 1.00 38.75 ? 501 NAG A O6 1 HETATM 2144 O O7 . NAG E 3 . ? -8.622 4.153 41.040 1.00 40.82 ? 501 NAG A O7 1 HETATM 2145 C C1 . NAG F 3 . ? -20.126 -1.955 2.955 1.00 21.49 ? 502 NAG A C1 1 HETATM 2146 C C2 . NAG F 3 . ? -21.374 -1.189 2.668 1.00 23.14 ? 502 NAG A C2 1 HETATM 2147 C C3 . NAG F 3 . ? -22.035 -0.818 3.994 1.00 27.46 ? 502 NAG A C3 1 HETATM 2148 C C4 . NAG F 3 . ? -22.306 -2.016 4.879 1.00 29.24 ? 502 NAG A C4 1 HETATM 2149 C C5 . NAG F 3 . ? -21.027 -2.830 5.025 1.00 27.55 ? 502 NAG A C5 1 HETATM 2150 C C6 . NAG F 3 . ? -21.414 -4.125 5.745 1.00 27.35 ? 502 NAG A C6 1 HETATM 2151 C C7 . NAG F 3 . ? -21.160 0.036 0.567 1.00 20.07 ? 502 NAG A C7 1 HETATM 2152 C C8 . NAG F 3 . ? -21.010 1.416 0.008 1.00 21.30 ? 502 NAG A C8 1 HETATM 2153 N N2 . NAG F 3 . ? -21.183 0.001 1.887 1.00 21.07 ? 502 NAG A N2 1 HETATM 2154 O O3 . NAG F 3 . ? -23.259 -0.158 3.699 1.00 32.60 ? 502 NAG A O3 1 HETATM 2155 O O4 . NAG F 3 . ? -22.703 -1.586 6.220 1.00 31.17 ? 502 NAG A O4 1 HETATM 2156 O O5 . NAG F 3 . ? -20.449 -3.093 3.750 1.00 21.94 ? 502 NAG A O5 1 HETATM 2157 O O6 . NAG F 3 . ? -20.204 -4.808 5.978 1.00 37.22 ? 502 NAG A O6 1 HETATM 2158 O O7 . NAG F 3 . ? -21.220 -0.992 -0.136 1.00 21.77 ? 502 NAG A O7 1 HETATM 2159 P P . AS G 4 . ? -10.614 -8.386 18.785 0.80 30.71 ? 601 AS A P 1 HETATM 2160 O OP1 . AS G 4 . ? -10.236 -9.489 19.783 0.80 29.59 ? 601 AS A OP1 1 HETATM 2161 S S2P . AS G 4 . ? -9.825 -6.821 19.428 0.80 20.83 ? 601 AS A S2P 1 HETATM 2162 O OP3 . AS G 4 . ? -10.241 -8.804 17.419 0.80 29.79 ? 601 AS A OP3 1 HETATM 2163 O "O5'" . AS G 4 . ? -12.248 -8.219 18.629 0.80 29.78 ? 601 AS A "O5'" 1 HETATM 2164 C "C5'" . AS G 4 . ? -13.024 -8.823 19.669 0.80 27.04 ? 601 AS A "C5'" 1 HETATM 2165 C "C4'" . AS G 4 . ? -14.462 -8.436 19.537 0.80 26.34 ? 601 AS A "C4'" 1 HETATM 2166 O "O4'" . AS G 4 . ? -14.610 -7.020 19.735 0.80 22.06 ? 601 AS A "O4'" 1 HETATM 2167 C "C3'" . AS G 4 . ? -15.130 -8.783 18.210 0.80 24.12 ? 601 AS A "C3'" 1 HETATM 2168 O "O3'" . AS G 4 . ? -16.413 -9.286 18.574 0.80 23.80 ? 601 AS A "O3'" 1 HETATM 2169 C "C2'" . AS G 4 . ? -15.228 -7.438 17.507 0.80 24.37 ? 601 AS A "C2'" 1 HETATM 2170 C "C1'" . AS G 4 . ? -15.331 -6.452 18.656 0.80 22.13 ? 601 AS A "C1'" 1 HETATM 2171 N N9 . AS G 4 . ? -14.728 -5.154 18.403 0.80 18.44 ? 601 AS A N9 1 HETATM 2172 C C8 . AS G 4 . ? -13.562 -4.820 17.765 0.80 18.32 ? 601 AS A C8 1 HETATM 2173 N N7 . AS G 4 . ? -13.273 -3.540 17.813 0.80 17.11 ? 601 AS A N7 1 HETATM 2174 C C5 . AS G 4 . ? -14.331 -2.997 18.514 0.80 15.49 ? 601 AS A C5 1 HETATM 2175 C C6 . AS G 4 . ? -14.688 -1.679 18.777 0.80 13.87 ? 601 AS A C6 1 HETATM 2176 N N6 . AS G 4 . ? -13.937 -0.619 18.393 0.80 13.37 ? 601 AS A N6 1 HETATM 2177 N N1 . AS G 4 . ? -15.848 -1.474 19.420 0.80 13.57 ? 601 AS A N1 1 HETATM 2178 C C2 . AS G 4 . ? -16.593 -2.527 19.789 0.80 14.52 ? 601 AS A C2 1 HETATM 2179 N N3 . AS G 4 . ? -16.356 -3.826 19.607 0.80 14.37 ? 601 AS A N3 1 HETATM 2180 C C4 . AS G 4 . ? -15.217 -3.987 18.919 0.80 16.20 ? 601 AS A C4 1 HETATM 2181 C C1 . GOL H 5 . ? 8.210 -1.675 43.062 1.00 20.99 ? 701 GOL A C1 1 HETATM 2182 O O1 . GOL H 5 . ? 7.371 -0.586 43.522 1.00 22.03 ? 701 GOL A O1 1 HETATM 2183 C C2 . GOL H 5 . ? 7.307 -2.810 42.501 1.00 19.94 ? 701 GOL A C2 1 HETATM 2184 O O2 . GOL H 5 . ? 8.120 -3.681 41.704 1.00 16.67 ? 701 GOL A O2 1 HETATM 2185 C C3 . GOL H 5 . ? 6.443 -3.534 43.584 1.00 18.79 ? 701 GOL A C3 1 HETATM 2186 O O3 . GOL H 5 . ? 7.171 -4.015 44.740 1.00 19.40 ? 701 GOL A O3 1 HETATM 2187 O O . HOH I 6 . ? -23.784 4.349 33.703 0.50 18.59 ? 1001 HOH A O 1 HETATM 2188 O O . HOH I 6 . ? -1.650 8.477 18.735 1.00 24.03 ? 1002 HOH A O 1 HETATM 2189 O O . HOH I 6 . ? -18.661 -18.344 30.991 1.00 26.42 ? 1003 HOH A O 1 HETATM 2190 O O . HOH I 6 . ? 6.474 -11.175 32.072 1.00 24.07 ? 1004 HOH A O 1 HETATM 2191 O O . HOH I 6 . ? -2.807 -12.704 35.884 1.00 28.63 ? 1005 HOH A O 1 HETATM 2192 O O . HOH I 6 . ? 10.351 -8.653 11.828 1.00 19.38 ? 1006 HOH A O 1 HETATM 2193 O O . HOH I 6 . ? -0.859 12.053 13.764 1.00 15.91 ? 1007 HOH A O 1 HETATM 2194 O O . HOH I 6 . ? -16.003 -1.620 34.496 1.00 34.03 ? 1008 HOH A O 1 HETATM 2195 O O . HOH I 6 . ? 13.401 -4.666 23.266 1.00 30.64 ? 1009 HOH A O 1 HETATM 2196 O O . HOH I 6 . ? 0.838 -12.283 27.001 1.00 25.00 ? 1010 HOH A O 1 HETATM 2197 O O . HOH I 6 . ? -18.984 15.179 25.851 1.00 20.38 ? 1011 HOH A O 1 HETATM 2198 O O . HOH I 6 . ? 7.028 9.385 9.276 0.50 27.53 ? 1012 HOH A O 1 HETATM 2199 O O . HOH I 6 . ? 5.661 15.021 16.144 1.00 36.31 ? 1013 HOH A O 1 HETATM 2200 O O . HOH I 6 . ? 11.169 -8.446 45.187 1.00 26.43 ? 1014 HOH A O 1 HETATM 2201 O O . HOH I 6 . ? -17.996 -9.315 9.673 1.00 25.15 ? 1015 HOH A O 1 HETATM 2202 O O . HOH I 6 . ? -10.483 -6.398 18.405 0.20 4.71 ? 803 HOH A O 1 HETATM 2203 O O . HOH I 6 . ? -10.650 11.462 4.274 1.00 32.55 ? 1017 HOH A O 1 HETATM 2204 O O . HOH I 6 . ? 13.794 -2.938 29.418 1.00 15.82 ? 1018 HOH A O 1 HETATM 2205 O O . HOH I 6 . ? -0.481 6.462 4.001 1.00 25.23 ? 1019 HOH A O 1 HETATM 2206 O O . HOH I 6 . ? -9.290 3.825 2.758 1.00 23.59 ? 1020 HOH A O 1 HETATM 2207 O O . HOH I 6 . ? -9.007 6.068 39.384 1.00 36.81 ? 1021 HOH A O 1 HETATM 2208 O O . HOH I 6 . ? 0.692 -13.169 35.231 0.60 23.36 ? 1022 HOH A O 1 HETATM 2209 O O . HOH I 6 . ? -2.184 14.366 44.012 1.00 33.82 ? 1023 HOH A O 1 HETATM 2210 O O . HOH I 6 . ? -2.918 15.962 29.302 1.00 30.14 ? 1024 HOH A O 1 HETATM 2211 O O . HOH I 6 . ? -9.855 -12.411 37.902 1.00 27.23 ? 1025 HOH A O 1 HETATM 2212 O O . HOH I 6 . ? 17.470 3.817 36.107 1.00 34.50 ? 1026 HOH A O 1 HETATM 2213 O O . HOH I 6 . ? 18.036 5.181 11.367 1.00 21.50 ? 1027 HOH A O 1 HETATM 2214 O O . HOH I 6 . ? 3.951 -14.004 18.812 1.00 23.96 ? 1028 HOH A O 1 HETATM 2215 O O . HOH I 6 . ? -17.310 -3.841 32.180 1.00 21.64 ? 1029 HOH A O 1 HETATM 2216 O O . HOH I 6 . ? -7.508 11.794 34.699 1.00 15.88 ? 1030 HOH A O 1 HETATM 2217 O O . HOH I 6 . ? -12.708 -6.053 0.173 1.00 14.69 ? 1031 HOH A O 1 HETATM 2218 O O . HOH I 6 . ? -18.238 -5.336 3.649 1.00 23.33 ? 1032 HOH A O 1 HETATM 2219 O O . HOH I 6 . ? 12.150 4.494 37.113 1.00 24.59 ? 1033 HOH A O 1 HETATM 2220 O O . HOH I 6 . ? 11.635 -15.407 35.361 1.00 40.47 ? 1034 HOH A O 1 HETATM 2221 O O . HOH I 6 . ? 5.752 5.300 9.127 1.00 15.56 ? 1035 HOH A O 1 HETATM 2222 O O . HOH I 6 . ? 16.134 5.794 37.180 1.00 37.86 ? 1036 HOH A O 1 HETATM 2223 O O . HOH I 6 . ? -8.333 -11.155 -4.571 1.00 28.11 ? 1037 HOH A O 1 HETATM 2224 O O . HOH I 6 . ? 20.880 2.967 21.403 1.00 31.52 ? 1038 HOH A O 1 HETATM 2225 O O . HOH I 6 . ? 20.765 4.230 14.301 1.00 10.88 ? 1039 HOH A O 1 HETATM 2226 O O . HOH I 6 . ? 0.261 -7.825 -0.112 1.00 22.90 ? 1040 HOH A O 1 HETATM 2227 O O . HOH I 6 . ? -10.310 -2.215 39.095 1.00 36.38 ? 1041 HOH A O 1 HETATM 2228 O O . HOH I 6 . ? 2.888 3.883 46.163 1.00 37.78 ? 1042 HOH A O 1 HETATM 2229 O O . HOH I 6 . ? -18.310 -14.136 33.142 1.00 28.57 ? 1043 HOH A O 1 HETATM 2230 O O . HOH I 6 . ? -2.855 17.597 36.282 1.00 25.09 ? 1044 HOH A O 1 HETATM 2231 O O . HOH I 6 . ? 16.786 -7.135 15.854 1.00 36.66 ? 1045 HOH A O 1 HETATM 2232 O O . HOH I 6 . ? -19.068 5.988 13.729 1.00 14.79 ? 1046 HOH A O 1 HETATM 2233 O O . HOH I 6 . ? 11.001 12.769 12.196 1.00 15.41 ? 1047 HOH A O 1 HETATM 2234 O O . HOH I 6 . ? -15.368 4.095 -2.230 1.00 16.16 ? 1048 HOH A O 1 HETATM 2235 O O . HOH I 6 . ? 8.458 -10.955 41.646 1.00 30.87 ? 1049 HOH A O 1 HETATM 2236 O O . HOH I 6 . ? 4.009 -1.051 1.558 0.50 17.41 ? 1050 HOH A O 1 HETATM 2237 O O . HOH I 6 . ? 5.415 -10.761 4.865 1.00 27.88 ? 1051 HOH A O 1 HETATM 2238 O O . HOH I 6 . ? 16.329 11.100 11.077 0.50 18.50 ? 1052 HOH A O 1 HETATM 2239 O O . HOH I 6 . ? 9.564 -5.427 8.695 1.00 26.41 ? 1053 HOH A O 1 HETATM 2240 O O . HOH I 6 . ? 7.153 16.076 25.752 1.00 36.40 ? 1054 HOH A O 1 HETATM 2241 O O . HOH I 6 . ? -3.232 9.690 38.382 1.00 16.95 ? 1055 HOH A O 1 HETATM 2242 O O . HOH I 6 . ? -19.949 -7.457 6.141 1.00 34.38 ? 1056 HOH A O 1 HETATM 2243 O O . HOH I 6 . ? 10.611 8.734 30.085 1.00 29.58 ? 1057 HOH A O 1 HETATM 2244 O O . HOH I 6 . ? -13.032 8.979 34.861 1.00 22.48 ? 1058 HOH A O 1 HETATM 2245 O O . HOH I 6 . ? 14.759 1.196 11.163 1.00 15.17 ? 1059 HOH A O 1 HETATM 2246 O O . HOH I 6 . ? 13.981 18.374 20.037 1.00 23.03 ? 1060 HOH A O 1 HETATM 2247 O O . HOH I 6 . ? 13.797 6.370 30.129 1.00 25.41 ? 1061 HOH A O 1 HETATM 2248 O O . HOH I 6 . ? 15.925 0.776 28.061 1.00 39.18 ? 1062 HOH A O 1 HETATM 2249 O O . HOH I 6 . ? 6.353 2.051 6.399 1.00 19.62 ? 1063 HOH A O 1 HETATM 2250 O O . HOH I 6 . ? 16.971 10.612 19.147 1.00 31.21 ? 1064 HOH A O 1 HETATM 2251 O O . HOH I 6 . ? -0.731 -11.390 6.765 1.00 18.29 ? 1065 HOH A O 1 HETATM 2252 O O . HOH I 6 . ? -19.479 6.845 8.806 0.50 25.22 ? 1066 HOH A O 1 HETATM 2253 O O . HOH I 6 . ? 5.777 -4.814 3.152 1.00 25.16 ? 1067 HOH A O 1 HETATM 2254 O O . HOH I 6 . ? -9.369 -8.958 14.867 1.00 16.76 ? 1068 HOH A O 1 HETATM 2255 O O . HOH I 6 . ? -2.224 -12.804 9.368 1.00 32.97 ? 1069 HOH A O 1 HETATM 2256 O O . HOH I 6 . ? -3.354 -8.807 39.978 1.00 15.20 ? 1070 HOH A O 1 HETATM 2257 O O . HOH I 6 . ? -11.028 -0.867 -6.526 1.00 16.43 ? 1071 HOH A O 1 HETATM 2258 O O . HOH I 6 . ? -21.150 7.883 9.336 0.50 16.92 ? 1072 HOH A O 1 HETATM 2259 O O . HOH I 6 . ? -9.832 12.276 16.677 1.00 10.61 ? 1073 HOH A O 1 HETATM 2260 O O . HOH I 6 . ? -9.749 2.345 45.050 1.00 40.59 ? 1074 HOH A O 1 HETATM 2261 O O . HOH I 6 . ? -9.523 -15.059 6.391 1.00 30.63 ? 1075 HOH A O 1 HETATM 2262 O O . HOH I 6 . ? -13.312 1.319 33.899 1.00 24.96 ? 1076 HOH A O 1 HETATM 2263 O O . HOH I 6 . ? -0.721 -8.243 15.230 1.00 10.61 ? 1077 HOH A O 1 HETATM 2264 O O . HOH I 6 . ? 1.053 10.390 9.952 1.00 34.08 ? 1078 HOH A O 1 HETATM 2265 O O . HOH I 6 . ? -9.115 -7.845 28.912 1.00 9.11 ? 1079 HOH A O 1 HETATM 2266 O O . HOH I 6 . ? 0.075 -8.107 42.186 1.00 24.55 ? 1080 HOH A O 1 HETATM 2267 O O . HOH I 6 . ? -17.970 13.471 13.997 1.00 30.32 ? 1081 HOH A O 1 HETATM 2268 O O . HOH I 6 . ? -0.822 -11.056 15.521 1.00 11.67 ? 1082 HOH A O 1 HETATM 2269 O O . HOH I 6 . ? 10.276 12.701 24.158 1.00 34.90 ? 1083 HOH A O 1 HETATM 2270 O O . HOH I 6 . ? 17.592 1.063 23.723 1.00 20.62 ? 1084 HOH A O 1 HETATM 2271 O O . HOH I 6 . ? 1.580 12.285 24.633 1.00 22.85 ? 1085 HOH A O 1 HETATM 2272 O O . HOH I 6 . ? -6.082 -10.244 19.689 1.00 27.35 ? 1086 HOH A O 1 HETATM 2273 O O . HOH I 6 . ? -1.921 -7.774 28.758 1.00 10.15 ? 1087 HOH A O 1 HETATM 2274 O O . HOH I 6 . ? 3.089 6.932 43.422 1.00 28.88 ? 1088 HOH A O 1 HETATM 2275 O O . HOH I 6 . ? -9.509 -15.595 34.313 1.00 21.80 ? 1089 HOH A O 1 HETATM 2276 O O . HOH I 6 . ? -18.681 0.832 27.951 1.00 16.52 ? 1090 HOH A O 1 HETATM 2277 O O . HOH I 6 . ? 16.807 -0.547 10.920 1.00 32.03 ? 1091 HOH A O 1 HETATM 2278 O O . HOH I 6 . ? 12.581 0.418 40.712 1.00 28.61 ? 1092 HOH A O 1 HETATM 2279 O O . HOH I 6 . ? 15.342 -5.302 12.990 1.00 25.47 ? 1093 HOH A O 1 HETATM 2280 O O . HOH I 6 . ? 8.478 -15.651 9.547 1.00 33.65 ? 1094 HOH A O 1 HETATM 2281 O O . HOH I 6 . ? -8.904 2.112 22.673 1.00 13.91 ? 1095 HOH A O 1 HETATM 2282 O O . HOH I 6 . ? -2.944 7.787 4.669 1.00 24.77 ? 1096 HOH A O 1 HETATM 2283 O O . HOH I 6 . ? 17.297 -3.434 35.428 1.00 31.49 ? 1097 HOH A O 1 HETATM 2284 O O . HOH I 6 . ? 1.002 17.026 36.845 1.00 28.77 ? 1098 HOH A O 1 HETATM 2285 O O . HOH I 6 . ? 13.003 -2.554 20.365 1.00 18.64 ? 1099 HOH A O 1 HETATM 2286 O O . HOH I 6 . ? -19.281 7.556 29.132 1.00 18.28 ? 1100 HOH A O 1 HETATM 2287 O O . HOH I 6 . ? -5.909 -5.549 39.035 1.00 25.64 ? 1101 HOH A O 1 HETATM 2288 O O . HOH I 6 . ? -24.217 1.668 1.828 1.00 40.26 ? 1102 HOH A O 1 HETATM 2289 O O . HOH I 6 . ? -14.019 -7.728 -1.473 1.00 24.14 ? 1103 HOH A O 1 HETATM 2290 O O . HOH I 6 . ? -11.865 -10.013 13.810 1.00 26.61 ? 1104 HOH A O 1 HETATM 2291 O O . HOH I 6 . ? 0.773 -3.844 23.834 1.00 11.28 ? 1105 HOH A O 1 HETATM 2292 O O . HOH I 6 . ? 2.554 16.412 20.098 1.00 25.71 ? 1106 HOH A O 1 HETATM 2293 O O . HOH I 6 . ? 3.137 -8.665 41.742 1.00 33.09 ? 1107 HOH A O 1 HETATM 2294 O O . HOH I 6 . ? -15.317 -18.220 28.596 1.00 29.25 ? 1108 HOH A O 1 HETATM 2295 O O . HOH I 6 . ? -17.510 5.999 31.228 1.00 42.96 ? 1109 HOH A O 1 HETATM 2296 O O . HOH I 6 . ? -7.202 -10.476 14.919 1.00 21.12 ? 1110 HOH A O 1 HETATM 2297 O O . HOH I 6 . ? -17.895 5.362 5.748 1.00 32.54 ? 1111 HOH A O 1 HETATM 2298 O O . HOH I 6 . ? -7.335 -6.358 19.487 0.80 35.06 ? 1112 HOH A O 1 HETATM 2299 O O . HOH I 6 . ? -19.573 4.816 22.347 1.00 24.03 ? 1113 HOH A O 1 HETATM 2300 O O . HOH I 6 . ? -11.478 5.165 35.530 1.00 24.10 ? 1114 HOH A O 1 HETATM 2301 O O . HOH I 6 . ? 17.028 -6.168 35.539 1.00 41.80 ? 1115 HOH A O 1 HETATM 2302 O O . HOH I 6 . ? -2.973 -9.623 21.964 1.00 15.61 ? 1116 HOH A O 1 HETATM 2303 O O . HOH I 6 . ? 16.967 -0.860 17.358 1.00 26.72 ? 1117 HOH A O 1 HETATM 2304 O O . HOH I 6 . ? -12.444 -6.853 23.640 1.00 14.81 ? 1118 HOH A O 1 HETATM 2305 O O . HOH I 6 . ? -5.692 -4.978 -4.807 1.00 36.01 ? 1119 HOH A O 1 HETATM 2306 O O . HOH I 6 . ? 2.090 13.686 20.075 0.50 11.08 ? 1120 HOH A O 1 HETATM 2307 O O . HOH I 6 . ? -2.377 -3.580 44.207 1.00 19.62 ? 1121 HOH A O 1 HETATM 2308 O O . HOH I 6 . ? 10.677 -16.763 13.801 1.00 32.44 ? 1122 HOH A O 1 HETATM 2309 O O . HOH I 6 . ? -22.753 11.367 14.791 1.00 39.49 ? 1123 HOH A O 1 HETATM 2310 O O . HOH I 6 . ? -16.481 2.663 24.249 1.00 12.92 ? 1124 HOH A O 1 HETATM 2311 O O . HOH I 6 . ? -13.700 -11.004 38.194 1.00 34.08 ? 1125 HOH A O 1 HETATM 2312 O O . HOH I 6 . ? 4.116 -12.158 34.501 1.00 29.20 ? 1126 HOH A O 1 HETATM 2313 O O . HOH I 6 . ? -11.781 5.731 -3.488 1.00 39.18 ? 1127 HOH A O 1 HETATM 2314 O O . HOH I 6 . ? -9.667 -5.518 37.694 1.00 24.51 ? 1128 HOH A O 1 HETATM 2315 O O . HOH I 6 . ? 13.151 1.578 8.895 1.00 23.43 ? 1129 HOH A O 1 HETATM 2316 O O . HOH I 6 . ? -12.877 13.890 25.882 1.00 17.43 ? 1130 HOH A O 1 HETATM 2317 O O . HOH I 6 . ? 10.587 5.433 42.552 1.00 35.51 ? 1131 HOH A O 1 HETATM 2318 O O . HOH I 6 . ? 3.324 -6.342 43.102 1.00 37.11 ? 1132 HOH A O 1 HETATM 2319 O O . HOH I 6 . ? -11.067 13.634 18.790 1.00 17.55 ? 1133 HOH A O 1 HETATM 2320 O O . HOH I 6 . ? 17.258 -16.253 35.600 0.50 19.23 ? 1134 HOH A O 1 HETATM 2321 O O . HOH I 6 . ? 8.686 -2.262 7.685 1.00 29.11 ? 1135 HOH A O 1 HETATM 2322 O O . HOH I 6 . ? -17.103 -7.503 1.296 1.00 43.98 ? 1136 HOH A O 1 HETATM 2323 O O . HOH I 6 . ? 3.249 -12.625 24.512 1.00 31.33 ? 1137 HOH A O 1 HETATM 2324 O O . HOH I 6 . ? -8.173 12.926 9.854 1.00 23.52 ? 1138 HOH A O 1 HETATM 2325 O O . HOH I 6 . ? 13.306 -12.252 12.942 0.50 17.76 ? 1139 HOH A O 1 HETATM 2326 O O . HOH I 6 . ? 14.686 -7.882 37.969 1.00 26.57 ? 1140 HOH A O 1 HETATM 2327 O O . HOH I 6 . ? 8.423 9.714 31.240 1.00 17.29 ? 1141 HOH A O 1 HETATM 2328 O O . HOH I 6 . ? -6.938 -9.282 17.557 1.00 23.70 ? 1142 HOH A O 1 HETATM 2329 O O . HOH I 6 . ? -15.682 14.066 27.929 1.00 21.04 ? 1143 HOH A O 1 HETATM 2330 O O . HOH I 6 . ? -10.751 4.472 37.941 1.00 31.18 ? 1144 HOH A O 1 HETATM 2331 O O . HOH I 6 . ? 16.471 -0.547 30.501 1.00 36.69 ? 1145 HOH A O 1 HETATM 2332 O O . HOH I 6 . ? -5.975 -2.423 -2.158 1.00 15.21 ? 1146 HOH A O 1 HETATM 2333 O O . HOH I 6 . ? -1.867 18.646 32.029 0.50 22.23 ? 1147 HOH A O 1 HETATM 2334 O O . HOH I 6 . ? -6.591 -6.192 21.446 1.00 9.20 ? 1148 HOH A O 1 HETATM 2335 O O . HOH I 6 . ? -1.096 2.997 -2.020 1.00 28.46 ? 1149 HOH A O 1 HETATM 2336 O O . HOH I 6 . ? -18.171 -7.359 29.029 1.00 29.82 ? 1150 HOH A O 1 HETATM 2337 O O . HOH I 6 . ? -17.761 5.503 3.000 1.00 23.04 ? 1151 HOH A O 1 HETATM 2338 O O . HOH I 6 . ? -5.544 -13.430 4.051 1.00 34.52 ? 1152 HOH A O 1 HETATM 2339 O O . HOH I 6 . ? -6.225 2.111 -1.084 1.00 27.07 ? 1153 HOH A O 1 HETATM 2340 O O . HOH I 6 . ? 15.942 -5.840 39.087 1.00 33.63 ? 1154 HOH A O 1 HETATM 2341 O O . HOH I 6 . ? -16.318 -11.194 34.249 1.00 18.11 ? 1155 HOH A O 1 HETATM 2342 O O . HOH I 6 . ? -6.965 10.106 38.155 1.00 27.71 ? 1156 HOH A O 1 HETATM 2343 O O . HOH I 6 . ? 15.921 -13.424 29.018 1.00 23.92 ? 1157 HOH A O 1 HETATM 2344 O O . HOH I 6 . ? 6.847 -17.151 19.307 1.00 17.69 ? 1158 HOH A O 1 HETATM 2345 O O . HOH I 6 . ? -10.499 14.673 15.332 1.00 20.28 ? 1159 HOH A O 1 HETATM 2346 O O . HOH I 6 . ? -5.689 5.444 -1.183 0.50 23.49 ? 1160 HOH A O 1 HETATM 2347 O O . HOH I 6 . ? -22.153 11.869 17.885 1.00 35.65 ? 1161 HOH A O 1 HETATM 2348 O O . HOH I 6 . ? 0.018 -15.020 23.311 1.00 27.39 ? 1162 HOH A O 1 HETATM 2349 O O . HOH I 6 . ? -18.276 4.558 -0.613 1.00 21.05 ? 1163 HOH A O 1 HETATM 2350 O O . HOH I 6 . ? -15.825 0.429 25.580 1.00 14.83 ? 1164 HOH A O 1 HETATM 2351 O O . HOH I 6 . ? -9.322 -6.283 -5.994 1.00 17.95 ? 1165 HOH A O 1 HETATM 2352 O O . HOH I 6 . ? -12.005 13.770 7.995 1.00 34.71 ? 1166 HOH A O 1 HETATM 2353 O O . HOH I 6 . ? -8.424 -0.291 43.311 1.00 38.08 ? 1167 HOH A O 1 HETATM 2354 O O . HOH I 6 . ? -21.735 2.636 3.029 1.00 25.59 ? 1168 HOH A O 1 HETATM 2355 O O . HOH I 6 . ? -12.459 -17.599 34.855 1.00 18.61 ? 1169 HOH A O 1 HETATM 2356 O O . HOH I 6 . ? 16.773 -2.121 19.685 1.00 44.29 ? 1170 HOH A O 1 HETATM 2357 O O . HOH I 6 . ? 8.787 17.193 17.458 1.00 32.97 ? 1171 HOH A O 1 HETATM 2358 O O . HOH I 6 . ? 8.547 -6.894 46.061 1.00 32.24 ? 1172 HOH A O 1 HETATM 2359 O O . HOH I 6 . ? -21.318 -0.509 16.340 1.00 33.96 ? 1173 HOH A O 1 HETATM 2360 O O . HOH I 6 . ? 15.264 6.245 26.702 1.00 43.12 ? 1174 HOH A O 1 HETATM 2361 O O . HOH I 6 . ? 12.162 -0.243 7.057 1.00 34.57 ? 1175 HOH A O 1 HETATM 2362 O O . HOH I 6 . ? -6.198 11.264 3.365 1.00 40.04 ? 1176 HOH A O 1 HETATM 2363 O O . HOH I 6 . ? 4.253 0.916 1.981 0.50 11.04 ? 1177 HOH A O 1 HETATM 2364 O O . HOH I 6 . ? -23.129 3.080 27.702 1.00 37.90 ? 1178 HOH A O 1 HETATM 2365 O O . HOH I 6 . ? -12.452 10.668 1.971 1.00 42.53 ? 1179 HOH A O 1 HETATM 2366 O O . HOH I 6 . ? -4.597 -13.506 22.410 1.00 39.71 ? 1180 HOH A O 1 HETATM 2367 O O . HOH I 6 . ? -22.459 -5.506 9.188 1.00 42.77 ? 1181 HOH A O 1 HETATM 2368 O O . HOH I 6 . ? 5.264 8.210 8.945 0.50 24.94 ? 1182 HOH A O 1 HETATM 2369 O O . HOH I 6 . ? 12.448 -9.259 41.414 1.00 43.64 ? 1183 HOH A O 1 HETATM 2370 O O . HOH I 6 . ? -3.048 -12.271 5.535 1.00 24.39 ? 1184 HOH A O 1 HETATM 2371 O O . HOH I 6 . ? 9.800 4.990 7.149 1.00 37.70 ? 1185 HOH A O 1 HETATM 2372 O O . HOH I 6 . ? 1.417 13.836 21.996 0.50 16.51 ? 1186 HOH A O 1 HETATM 2373 O O . HOH I 6 . ? -7.183 15.188 26.208 1.00 36.14 ? 1187 HOH A O 1 HETATM 2374 O O . HOH I 6 . ? -14.744 -7.875 22.628 1.00 31.55 ? 1188 HOH A O 1 HETATM 2375 O O . HOH I 6 . ? -6.401 -12.803 37.257 1.00 30.16 ? 1189 HOH A O 1 HETATM 2376 O O . HOH I 6 . ? -4.159 -15.690 33.318 1.00 35.71 ? 1190 HOH A O 1 HETATM 2377 O O . HOH I 6 . ? -23.532 1.272 17.675 1.00 22.57 ? 1191 HOH A O 1 HETATM 2378 O O . HOH I 6 . ? -3.060 -5.870 48.221 1.00 34.20 ? 1192 HOH A O 1 HETATM 2379 O O . HOH I 6 . ? -3.348 17.392 31.715 0.50 17.92 ? 1193 HOH A O 1 HETATM 2380 O O . HOH I 6 . ? 16.143 14.278 20.053 0.50 27.93 ? 1194 HOH A O 1 HETATM 2381 O O . HOH I 6 . ? 6.535 -16.382 12.170 1.00 19.97 ? 1195 HOH A O 1 HETATM 2382 O O . HOH I 6 . ? 1.044 -4.694 -1.540 1.00 41.88 ? 1196 HOH A O 1 HETATM 2383 O O . HOH I 6 . ? 3.575 13.892 34.471 1.00 18.80 ? 1197 HOH A O 1 HETATM 2384 O O . HOH I 6 . ? 18.575 -2.278 14.379 0.50 26.79 ? 1198 HOH A O 1 HETATM 2385 O O . HOH I 6 . ? 14.105 5.363 8.958 1.00 13.77 ? 1199 HOH A O 1 HETATM 2386 O O . HOH I 6 . ? -12.613 15.362 11.184 1.00 29.78 ? 1200 HOH A O 1 HETATM 2387 O O . HOH I 6 . ? 9.728 -15.703 26.041 0.50 20.46 ? 1201 HOH A O 1 HETATM 2388 O O . HOH I 6 . ? 2.314 -0.985 47.500 1.00 21.11 ? 1202 HOH A O 1 HETATM 2389 O O . HOH I 6 . ? 10.219 -16.815 18.502 1.00 19.55 ? 1203 HOH A O 1 HETATM 2390 O O . HOH I 6 . ? 18.018 -11.948 24.673 1.00 40.47 ? 1204 HOH A O 1 HETATM 2391 O O . HOH I 6 . ? -15.105 -11.772 14.156 1.00 41.06 ? 1205 HOH A O 1 HETATM 2392 O O . HOH I 6 . ? -3.180 -12.142 16.355 1.00 19.30 ? 1206 HOH A O 1 HETATM 2393 O O . HOH I 6 . ? -0.059 9.848 42.430 1.00 52.70 ? 1207 HOH A O 1 HETATM 2394 O O . HOH I 6 . ? 4.417 -15.107 26.416 0.50 21.87 ? 1208 HOH A O 1 HETATM 2395 O O . HOH I 6 . ? -4.472 -2.604 -5.441 1.00 23.58 ? 1209 HOH A O 1 HETATM 2396 O O . HOH I 6 . ? -19.812 0.942 23.530 1.00 44.01 ? 1210 HOH A O 1 HETATM 2397 O O . HOH I 6 . ? 14.693 -4.997 25.811 1.00 31.22 ? 1211 HOH A O 1 HETATM 2398 O O . HOH I 6 . ? -8.362 -8.138 37.194 1.00 28.50 ? 1212 HOH A O 1 HETATM 2399 O O . HOH I 6 . ? -5.167 0.541 45.068 1.00 39.62 ? 1213 HOH A O 1 HETATM 2400 O O . HOH I 6 . ? -19.496 -0.841 18.323 1.00 35.13 ? 1214 HOH A O 1 HETATM 2401 O O . HOH I 6 . ? -3.662 -15.773 21.861 1.00 42.23 ? 1215 HOH A O 1 HETATM 2402 O O . HOH I 6 . ? 2.736 -4.441 50.220 1.00 36.47 ? 1216 HOH A O 1 HETATM 2403 O O . HOH I 6 . ? -4.110 11.860 10.271 1.00 35.72 ? 1217 HOH A O 1 HETATM 2404 O O . HOH I 6 . ? 5.526 -13.385 32.660 1.00 33.96 ? 1218 HOH A O 1 HETATM 2405 O O . HOH I 6 . ? -21.465 5.469 25.268 1.00 44.10 ? 1219 HOH A O 1 HETATM 2406 O O . HOH I 6 . ? 3.216 -22.039 14.435 1.00 32.43 ? 1220 HOH A O 1 HETATM 2407 O O . HOH I 6 . ? -15.282 -12.018 9.603 1.00 29.37 ? 1221 HOH A O 1 HETATM 2408 O O . HOH I 6 . ? -17.032 7.941 1.831 1.00 42.74 ? 1222 HOH A O 1 HETATM 2409 O O . HOH I 6 . ? -20.723 12.566 33.565 1.00 39.25 ? 1223 HOH A O 1 HETATM 2410 O O . HOH I 6 . ? 11.977 -10.838 10.699 1.00 35.11 ? 1224 HOH A O 1 HETATM 2411 O O . HOH I 6 . ? 18.148 1.242 38.441 1.00 38.44 ? 1225 HOH A O 1 HETATM 2412 O O . HOH I 6 . ? 11.784 7.208 36.153 1.00 46.28 ? 1226 HOH A O 1 HETATM 2413 O O . HOH I 6 . ? 16.631 4.614 28.166 1.00 44.82 ? 1227 HOH A O 1 HETATM 2414 O O . HOH I 6 . ? -16.800 -1.205 23.706 0.80 36.15 ? 1228 HOH A O 1 HETATM 2415 O O . HOH I 6 . ? -8.228 -11.938 20.837 1.00 32.64 ? 1229 HOH A O 1 HETATM 2416 O O . HOH I 6 . ? -24.859 -2.804 13.253 0.50 23.89 ? 1230 HOH A O 1 HETATM 2417 O O . HOH I 6 . ? 14.149 12.716 10.739 1.00 35.89 ? 1231 HOH A O 1 HETATM 2418 O O . HOH I 6 . ? 2.271 8.358 8.399 1.00 41.80 ? 1232 HOH A O 1 HETATM 2419 O O . HOH I 6 . ? -12.884 0.417 36.130 1.00 33.04 ? 1233 HOH A O 1 HETATM 2420 O O . HOH I 6 . ? 16.618 10.806 9.350 0.50 23.82 ? 1234 HOH A O 1 HETATM 2421 O O . HOH I 6 . ? 11.827 -10.746 39.074 1.00 41.34 ? 1235 HOH A O 1 HETATM 2422 O O . HOH I 6 . ? -16.985 13.966 16.502 1.00 39.41 ? 1236 HOH A O 1 HETATM 2423 O O . HOH I 6 . ? -1.857 -15.931 12.408 1.00 43.16 ? 1237 HOH A O 1 HETATM 2424 O O . HOH I 6 . ? 1.190 -14.870 18.141 1.00 41.84 ? 1238 HOH A O 1 HETATM 2425 O O . HOH I 6 . ? 15.497 3.870 10.801 1.00 16.43 ? 1239 HOH A O 1 HETATM 2426 O O . HOH I 6 . ? 5.892 -8.351 44.226 1.00 42.13 ? 1240 HOH A O 1 HETATM 2427 O O . HOH I 6 . ? -14.774 8.736 0.014 1.00 42.18 ? 1241 HOH A O 1 HETATM 2428 O O . HOH I 6 . ? -3.316 8.764 42.023 1.00 42.58 ? 1242 HOH A O 1 HETATM 2429 O O . HOH I 6 . ? -17.396 -5.088 24.771 1.00 41.11 ? 1243 HOH A O 1 HETATM 2430 O O . HOH I 6 . ? -20.249 15.984 11.964 1.00 38.74 ? 1244 HOH A O 1 HETATM 2431 O O . HOH I 6 . ? -16.807 -6.472 22.615 1.00 39.28 ? 1245 HOH A O 1 HETATM 2432 O O . HOH I 6 . ? -11.038 -6.571 44.644 1.00 47.52 ? 1246 HOH A O 1 HETATM 2433 O O . HOH I 6 . ? -1.057 -14.643 16.522 1.00 33.55 ? 1247 HOH A O 1 HETATM 2434 O O . HOH I 6 . ? -9.092 13.195 7.058 1.00 36.02 ? 1248 HOH A O 1 HETATM 2435 O O . HOH I 6 . ? 11.173 -6.312 10.749 1.00 20.89 ? 1249 HOH A O 1 HETATM 2436 O O . HOH I 6 . ? 7.222 4.657 7.010 1.00 23.64 ? 1250 HOH A O 1 HETATM 2437 O O . HOH I 6 . ? -2.038 10.227 6.342 1.00 45.06 ? 1251 HOH A O 1 HETATM 2438 O O . HOH I 6 . ? -19.280 -5.326 30.654 1.00 38.06 ? 1252 HOH A O 1 HETATM 2439 O O . HOH I 6 . ? -1.446 -18.640 11.969 1.00 35.46 ? 1253 HOH A O 1 HETATM 2440 O O . HOH I 6 . ? 6.300 1.783 3.669 1.00 44.34 ? 1254 HOH A O 1 HETATM 2441 O O . HOH I 6 . ? -4.540 3.691 -2.271 0.50 25.71 ? 1255 HOH A O 1 HETATM 2442 O O . HOH I 6 . ? -19.680 15.620 23.035 1.00 37.20 ? 1256 HOH A O 1 HETATM 2443 O O . HOH I 6 . ? 13.172 8.146 26.159 1.00 42.13 ? 1257 HOH A O 1 HETATM 2444 O O . HOH I 6 . ? 3.281 -15.027 24.892 0.50 25.54 ? 1258 HOH A O 1 HETATM 2445 O O . HOH I 6 . ? -2.534 -16.976 17.525 1.00 41.86 ? 1259 HOH A O 1 HETATM 2446 O O . HOH I 6 . ? -16.192 -9.921 1.111 1.00 39.00 ? 1260 HOH A O 1 HETATM 2447 O O . HOH I 6 . ? -20.271 4.963 6.614 1.00 36.57 ? 1261 HOH A O 1 HETATM 2448 O O . HOH I 6 . ? 7.878 11.951 29.451 1.00 44.85 ? 1262 HOH A O 1 HETATM 2449 O O . HOH I 6 . ? -14.364 12.744 2.858 1.00 52.80 ? 1263 HOH A O 1 HETATM 2450 O O . HOH I 6 . ? 8.817 18.452 15.006 1.00 46.00 ? 1264 HOH A O 1 HETATM 2451 O O . HOH I 6 . ? 3.200 -23.723 12.767 1.00 38.42 ? 1265 HOH A O 1 HETATM 2452 O O . HOH I 6 . ? 18.464 13.580 15.775 1.00 36.10 ? 1266 HOH A O 1 HETATM 2453 O O . HOH I 6 . ? -23.009 13.150 25.277 1.00 25.58 ? 1267 HOH A O 1 HETATM 2454 O O . HOH I 6 . ? 13.802 -6.139 9.776 1.00 47.51 ? 1268 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 3 NAG 1 502 502 NAG NAG A . G 4 AS 1 601 601 AS AS A . H 5 GOL 1 701 701 GOL GOL A . I 6 HOH 1 1001 1054 HOH HOH A . I 6 HOH 2 1002 948 HOH HOH A . I 6 HOH 3 1003 923 HOH HOH A . I 6 HOH 4 1004 935 HOH HOH A . I 6 HOH 5 1005 904 HOH HOH A . I 6 HOH 6 1006 815 HOH HOH A . I 6 HOH 7 1007 816 HOH HOH A . I 6 HOH 8 1008 1002 HOH HOH A . I 6 HOH 9 1009 927 HOH HOH A . I 6 HOH 10 1010 905 HOH HOH A . I 6 HOH 11 1011 880 HOH HOH A . I 6 HOH 12 1012 1044 HOH HOH A . I 6 HOH 13 1013 993 HOH HOH A . I 6 HOH 14 1014 1021 HOH HOH A . I 6 HOH 15 1015 918 HOH HOH A . I 6 HOH 16 803 803 HOH HOH A . I 6 HOH 17 1017 917 HOH HOH A . I 6 HOH 18 1018 852 HOH HOH A . I 6 HOH 19 1019 914 HOH HOH A . I 6 HOH 20 1020 908 HOH HOH A . I 6 HOH 21 1021 984 HOH HOH A . I 6 HOH 22 1022 1030 HOH HOH A . I 6 HOH 23 1023 1024 HOH HOH A . I 6 HOH 24 1024 897 HOH HOH A . I 6 HOH 25 1025 890 HOH HOH A . I 6 HOH 26 1026 979 HOH HOH A . I 6 HOH 27 1027 1052 HOH HOH A . I 6 HOH 28 1028 926 HOH HOH A . I 6 HOH 29 1029 857 HOH HOH A . I 6 HOH 30 1030 807 HOH HOH A . I 6 HOH 31 1031 813 HOH HOH A . I 6 HOH 32 1032 862 HOH HOH A . I 6 HOH 33 1033 881 HOH HOH A . I 6 HOH 34 1034 999 HOH HOH A . I 6 HOH 35 1035 871 HOH HOH A . I 6 HOH 36 1036 980 HOH HOH A . I 6 HOH 37 1037 867 HOH HOH A . I 6 HOH 38 1038 1027 HOH HOH A . I 6 HOH 39 1039 823 HOH HOH A . I 6 HOH 40 1040 853 HOH HOH A . I 6 HOH 41 1041 1049 HOH HOH A . I 6 HOH 42 1042 895 HOH HOH A . I 6 HOH 43 1043 1022 HOH HOH A . I 6 HOH 44 1044 938 HOH HOH A . I 6 HOH 45 1045 990 HOH HOH A . I 6 HOH 46 1046 845 HOH HOH A . I 6 HOH 47 1047 886 HOH HOH A . I 6 HOH 48 1048 831 HOH HOH A . I 6 HOH 49 1049 929 HOH HOH A . I 6 HOH 50 1050 1041 HOH HOH A . I 6 HOH 51 1051 932 HOH HOH A . I 6 HOH 52 1052 1037 HOH HOH A . I 6 HOH 53 1053 1025 HOH HOH A . I 6 HOH 54 1054 1003 HOH HOH A . I 6 HOH 55 1055 884 HOH HOH A . I 6 HOH 56 1056 933 HOH HOH A . I 6 HOH 57 1057 965 HOH HOH A . I 6 HOH 58 1058 873 HOH HOH A . I 6 HOH 59 1059 841 HOH HOH A . I 6 HOH 60 1060 891 HOH HOH A . I 6 HOH 61 1061 888 HOH HOH A . I 6 HOH 62 1062 969 HOH HOH A . I 6 HOH 63 1063 856 HOH HOH A . I 6 HOH 64 1064 902 HOH HOH A . I 6 HOH 65 1065 847 HOH HOH A . I 6 HOH 66 1066 1051 HOH HOH A . I 6 HOH 67 1067 860 HOH HOH A . I 6 HOH 68 1068 818 HOH HOH A . I 6 HOH 69 1069 922 HOH HOH A . I 6 HOH 70 1070 822 HOH HOH A . I 6 HOH 71 1071 875 HOH HOH A . I 6 HOH 72 1072 1050 HOH HOH A . I 6 HOH 73 1073 811 HOH HOH A . I 6 HOH 74 1074 1014 HOH HOH A . I 6 HOH 75 1075 893 HOH HOH A . I 6 HOH 76 1076 1060 HOH HOH A . I 6 HOH 77 1077 806 HOH HOH A . I 6 HOH 78 1078 911 HOH HOH A . I 6 HOH 79 1079 829 HOH HOH A . I 6 HOH 80 1080 861 HOH HOH A . I 6 HOH 81 1081 981 HOH HOH A . I 6 HOH 82 1082 854 HOH HOH A . I 6 HOH 83 1083 941 HOH HOH A . I 6 HOH 84 1084 844 HOH HOH A . I 6 HOH 85 1085 892 HOH HOH A . I 6 HOH 86 1086 1006 HOH HOH A . I 6 HOH 87 1087 817 HOH HOH A . I 6 HOH 88 1088 848 HOH HOH A . I 6 HOH 89 1089 868 HOH HOH A . I 6 HOH 90 1090 821 HOH HOH A . I 6 HOH 91 1091 951 HOH HOH A . I 6 HOH 92 1092 842 HOH HOH A . I 6 HOH 93 1093 872 HOH HOH A . I 6 HOH 94 1094 1026 HOH HOH A . I 6 HOH 95 1095 833 HOH HOH A . I 6 HOH 96 1096 869 HOH HOH A . I 6 HOH 97 1097 928 HOH HOH A . I 6 HOH 98 1098 1004 HOH HOH A . I 6 HOH 99 1099 828 HOH HOH A . I 6 HOH 100 1100 837 HOH HOH A . I 6 HOH 101 1101 915 HOH HOH A . I 6 HOH 102 1102 1012 HOH HOH A . I 6 HOH 103 1103 849 HOH HOH A . I 6 HOH 104 1104 909 HOH HOH A . I 6 HOH 105 1105 830 HOH HOH A . I 6 HOH 106 1106 1067 HOH HOH A . I 6 HOH 107 1107 950 HOH HOH A . I 6 HOH 108 1108 1068 HOH HOH A . I 6 HOH 109 1109 953 HOH HOH A . I 6 HOH 110 1110 832 HOH HOH A . I 6 HOH 111 1111 894 HOH HOH A . I 6 HOH 112 1112 802 HOH HOH A . I 6 HOH 113 1113 855 HOH HOH A . I 6 HOH 114 1114 921 HOH HOH A . I 6 HOH 115 1115 1000 HOH HOH A . I 6 HOH 116 1116 809 HOH HOH A . I 6 HOH 117 1117 931 HOH HOH A . I 6 HOH 118 1118 885 HOH HOH A . I 6 HOH 119 1119 1028 HOH HOH A . I 6 HOH 120 1120 1066 HOH HOH A . I 6 HOH 121 1121 863 HOH HOH A . I 6 HOH 122 1122 906 HOH HOH A . I 6 HOH 123 1123 900 HOH HOH A . I 6 HOH 124 1124 836 HOH HOH A . I 6 HOH 125 1125 1031 HOH HOH A . I 6 HOH 126 1126 936 HOH HOH A . I 6 HOH 127 1127 955 HOH HOH A . I 6 HOH 128 1128 877 HOH HOH A . I 6 HOH 129 1129 834 HOH HOH A . I 6 HOH 130 1130 851 HOH HOH A . I 6 HOH 131 1131 925 HOH HOH A . I 6 HOH 132 1132 986 HOH HOH A . I 6 HOH 133 1133 810 HOH HOH A . I 6 HOH 134 1134 1042 HOH HOH A . I 6 HOH 135 1135 896 HOH HOH A . I 6 HOH 136 1136 937 HOH HOH A . I 6 HOH 137 1137 1040 HOH HOH A . I 6 HOH 138 1138 865 HOH HOH A . I 6 HOH 139 1139 987 HOH HOH A . I 6 HOH 140 1140 889 HOH HOH A . I 6 HOH 141 1141 901 HOH HOH A . I 6 HOH 142 1142 826 HOH HOH A . I 6 HOH 143 1143 843 HOH HOH A . I 6 HOH 144 1144 983 HOH HOH A . I 6 HOH 145 1145 968 HOH HOH A . I 6 HOH 146 1146 846 HOH HOH A . I 6 HOH 147 1147 1038 HOH HOH A . I 6 HOH 148 1148 801 HOH HOH A . I 6 HOH 149 1149 995 HOH HOH A . I 6 HOH 150 1150 964 HOH HOH A . I 6 HOH 151 1151 840 HOH HOH A . I 6 HOH 152 1152 1023 HOH HOH A . I 6 HOH 153 1153 994 HOH HOH A . I 6 HOH 154 1154 961 HOH HOH A . I 6 HOH 155 1155 838 HOH HOH A . I 6 HOH 156 1156 882 HOH HOH A . I 6 HOH 157 1157 898 HOH HOH A . I 6 HOH 158 1158 820 HOH HOH A . I 6 HOH 159 1159 977 HOH HOH A . I 6 HOH 160 1160 1039 HOH HOH A . I 6 HOH 161 1161 966 HOH HOH A . I 6 HOH 162 1162 919 HOH HOH A . I 6 HOH 163 1163 879 HOH HOH A . I 6 HOH 164 1164 825 HOH HOH A . I 6 HOH 165 1165 812 HOH HOH A . I 6 HOH 166 1166 1008 HOH HOH A . I 6 HOH 167 1167 1013 HOH HOH A . I 6 HOH 168 1168 876 HOH HOH A . I 6 HOH 169 1169 1043 HOH HOH A . I 6 HOH 170 1170 954 HOH HOH A . I 6 HOH 171 1171 991 HOH HOH A . I 6 HOH 172 1172 924 HOH HOH A . I 6 HOH 173 1173 839 HOH HOH A . I 6 HOH 174 1174 1020 HOH HOH A . I 6 HOH 175 1175 1070 HOH HOH A . I 6 HOH 176 1176 956 HOH HOH A . I 6 HOH 177 1177 945 HOH HOH A . I 6 HOH 178 1178 996 HOH HOH A . I 6 HOH 179 1179 1009 HOH HOH A . I 6 HOH 180 1180 1018 HOH HOH A . I 6 HOH 181 1181 930 HOH HOH A . I 6 HOH 182 1182 920 HOH HOH A . I 6 HOH 183 1183 978 HOH HOH A . I 6 HOH 184 1184 883 HOH HOH A . I 6 HOH 185 1185 907 HOH HOH A . I 6 HOH 186 1186 1065 HOH HOH A . I 6 HOH 187 1187 1057 HOH HOH A . I 6 HOH 188 1188 947 HOH HOH A . I 6 HOH 189 1189 960 HOH HOH A . I 6 HOH 190 1190 878 HOH HOH A . I 6 HOH 191 1191 972 HOH HOH A . I 6 HOH 192 1192 1034 HOH HOH A . I 6 HOH 193 1193 1015 HOH HOH A . I 6 HOH 194 1194 859 HOH HOH A . I 6 HOH 195 1195 1069 HOH HOH A . I 6 HOH 196 1196 944 HOH HOH A . I 6 HOH 197 1197 850 HOH HOH A . I 6 HOH 198 1198 903 HOH HOH A . I 6 HOH 199 1199 827 HOH HOH A . I 6 HOH 200 1200 934 HOH HOH A . I 6 HOH 201 1201 997 HOH HOH A . I 6 HOH 202 1202 870 HOH HOH A . I 6 HOH 203 1203 864 HOH HOH A . I 6 HOH 204 1204 942 HOH HOH A . I 6 HOH 205 1205 967 HOH HOH A . I 6 HOH 206 1206 819 HOH HOH A . I 6 HOH 207 1207 1047 HOH HOH A . I 6 HOH 208 1208 1055 HOH HOH A . I 6 HOH 209 1209 814 HOH HOH A . I 6 HOH 210 1210 910 HOH HOH A . I 6 HOH 211 1211 866 HOH HOH A . I 6 HOH 212 1212 913 HOH HOH A . I 6 HOH 213 1213 1029 HOH HOH A . I 6 HOH 214 1214 1005 HOH HOH A . I 6 HOH 215 1215 1019 HOH HOH A . I 6 HOH 216 1216 985 HOH HOH A . I 6 HOH 217 1217 1063 HOH HOH A . I 6 HOH 218 1218 1016 HOH HOH A . I 6 HOH 219 1219 899 HOH HOH A . I 6 HOH 220 1220 1035 HOH HOH A . I 6 HOH 221 1221 824 HOH HOH A . I 6 HOH 222 1222 912 HOH HOH A . I 6 HOH 223 1223 988 HOH HOH A . I 6 HOH 224 1224 1071 HOH HOH A . I 6 HOH 225 1225 1001 HOH HOH A . I 6 HOH 226 1226 962 HOH HOH A . I 6 HOH 227 1227 1045 HOH HOH A . I 6 HOH 228 1228 1058 HOH HOH A . I 6 HOH 229 1229 1007 HOH HOH A . I 6 HOH 230 1230 989 HOH HOH A . I 6 HOH 231 1231 957 HOH HOH A . I 6 HOH 232 1232 971 HOH HOH A . I 6 HOH 233 1233 1072 HOH HOH A . I 6 HOH 234 1234 959 HOH HOH A . I 6 HOH 235 1235 998 HOH HOH A . I 6 HOH 236 1236 1064 HOH HOH A . I 6 HOH 237 1237 1061 HOH HOH A . I 6 HOH 238 1238 1032 HOH HOH A . I 6 HOH 239 1239 835 HOH HOH A . I 6 HOH 240 1240 808 HOH HOH A . I 6 HOH 241 1241 1010 HOH HOH A . I 6 HOH 242 1242 1048 HOH HOH A . I 6 HOH 243 1243 1059 HOH HOH A . I 6 HOH 244 1244 976 HOH HOH A . I 6 HOH 245 1245 1017 HOH HOH A . I 6 HOH 246 1246 916 HOH HOH A . I 6 HOH 247 1247 952 HOH HOH A . I 6 HOH 248 1248 940 HOH HOH A . I 6 HOH 249 1249 970 HOH HOH A . I 6 HOH 250 1250 858 HOH HOH A . I 6 HOH 251 1251 874 HOH HOH A . I 6 HOH 252 1252 943 HOH HOH A . I 6 HOH 253 1253 1062 HOH HOH A . I 6 HOH 254 1254 939 HOH HOH A . I 6 HOH 255 1255 1011 HOH HOH A . I 6 HOH 256 1256 1033 HOH HOH A . I 6 HOH 257 1257 958 HOH HOH A . I 6 HOH 258 1258 1053 HOH HOH A . I 6 HOH 259 1259 946 HOH HOH A . I 6 HOH 260 1260 973 HOH HOH A . I 6 HOH 261 1261 949 HOH HOH A . I 6 HOH 262 1262 974 HOH HOH A . I 6 HOH 263 1263 1056 HOH HOH A . I 6 HOH 264 1264 992 HOH HOH A . I 6 HOH 265 1265 1036 HOH HOH A . I 6 HOH 266 1266 982 HOH HOH A . I 6 HOH 267 1267 887 HOH HOH A . I 6 HOH 268 1268 975 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,I # 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)' 1670 ? 1 MORE -115 ? 1 'SSA (A^2)' 10910 ? # _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 75.8 ? 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_555 109.2 ? 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 91.8 ? 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 89.6 ? 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_555 165.2 ? 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 91.3 ? 7 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 84.6 ? 8 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 70.1 ? 9 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 154.3 ? 10 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 110.9 ? 11 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 134.5 ? 12 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 97.9 ? 13 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 116.0 ? 14 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 93.7 ? 15 O ? I HOH . ? A HOH 1112 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 52.1 ? 16 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 77.4 ? 17 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 85.1 ? 18 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_555 102.9 ? 19 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_555 175.5 ? 20 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 98.4 ? 21 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 97.3 ? 22 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 83.3 ? 23 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 139.5 ? 24 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 110.7 ? 25 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? I HOH . ? A HOH 1148 ? 1_555 99.2 ? 26 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_555 100.3 ? 27 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_555 127.6 ? 28 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 96.7 ? 29 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 S2P ? G AS . ? A AS 601 ? 1_555 104.2 ? 30 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 S2P ? G AS . ? A AS 601 ? 1_555 116.7 ? 31 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 S2P ? G AS . ? A AS 601 ? 1_555 111.3 ? 32 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 803 ? 1_555 114.6 ? 33 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 803 ? 1_555 82.0 ? 34 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 803 ? 1_555 116.7 ? 35 S2P ? G AS . ? A AS 601 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 803 ? 1_555 34.8 ? 36 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 80.6 ? 37 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 176.5 ? 38 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 80.1 ? 39 S2P ? G AS . ? A AS 601 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 66.1 ? 40 O ? I HOH . ? A HOH 803 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? I HOH . ? A HOH 1112 ? 1_555 100.7 ? # 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' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 5 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 ASP _pdbx_validate_rmsd_angle.auth_seq_id_1 193 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CG _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 ASP _pdbx_validate_rmsd_angle.auth_seq_id_2 193 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 OD1 _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 ASP _pdbx_validate_rmsd_angle.auth_seq_id_3 193 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 123.70 _pdbx_validate_rmsd_angle.angle_target_value 118.30 _pdbx_validate_rmsd_angle.angle_deviation 5.40 _pdbx_validate_rmsd_angle.angle_standard_deviation 0.90 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 86 ? ? -114.78 -164.69 2 1 THR A 165 ? ? -149.29 -153.55 3 1 THR A 173 ? ? -131.60 -62.20 4 1 THR A 238 ? ? -140.76 -51.41 # 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 ;2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE ; AS 5 GLYCEROL GOL 6 water HOH #