data_5FBB # _entry.id 5FBB # _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 5FBB WWPDB D_1000215659 # 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 ;5FBC CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH 2'-DEOXYADENOSINE-5'-THIO-MONOPHOSPHATE (5'DAMP(S)) ; 5FBC unspecified PDB ;FBD 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 5FBB _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 106.42 _cell.angle_alpha_esd ? _cell.angle_beta 90.09 _cell.angle_beta_esd ? _cell.angle_gamma 106.25 _cell.angle_gamma_esd ? _cell.entry_id 5FBB _cell.details ? _cell.formula_units_Z ? _cell.length_a 42.840 _cell.length_a_esd ? _cell.length_b 47.640 _cell.length_b_esd ? _cell.length_c 62.600 _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 5FBB _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 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 2 3.1.30.1 ? ? 'Mature protein without signal sequence.' 2 non-polymer syn 'ZINC ION' 65.409 6 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 4 non-polymer syn 'PHOSPHATE ION' 94.971 2 ? ? ? ? 5 non-polymer syn 'ADENOSINE MONOPHOSPHATE' 347.221 2 ? ? ? ? 6 non-polymer syn 'SODIUM ION' 22.990 3 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 5 ? ? ? ? 8 non-polymer syn '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL' 209.240 4 ? ? ? ? 9 non-polymer syn '2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' 208.252 1 ? ? ? ? 10 water nat water 18.015 439 ? ? ? ? # _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,B _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 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5FBB A 1 ? 267 ? P24021 21 ? 287 ? 21 287 2 1 5FBB B 1 ? 267 ? P24021 21 ? 287 ? 21 287 # 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 AMP non-polymer . 'ADENOSINE MONOPHOSPHATE' ? 'C10 H14 N5 O7 P' 347.221 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BTB non-polymer . '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL' 'BIS-TRIS BUFFER' 'C8 H19 N O5' 209.240 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 ETE non-polymer . '2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' ? 'C9 H20 O5' 208.252 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5FBB _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.02 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 39.2 _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 6.5 _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 '0.05 M Calcium chloride, 0.1 M BIS-TRIS pH 6.5, 30% v/v Polyethylene glycol monomethyl ether 550' _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 2013-12-04 # _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 0.91841 _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 14.2' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.91841 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 14.2 _diffrn_source.pdbx_synchrotron_site BESSY # _reflns.B_iso_Wilson_estimate 9.9 _reflns.entry_id 5FBB _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.75 _reflns.d_resolution_low 35.51 _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 43898 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 95.8 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 2.2 _reflns.pdbx_Rmerge_I_obs 0.102 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 8.1 _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 2.6 _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 94.7 _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 0.594 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.2 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -0.23 _refine.aniso_B[1][2] 0.45 _refine.aniso_B[1][3] -0.06 _refine.aniso_B[2][2] 1.32 _refine.aniso_B[2][3] 0.10 _refine.aniso_B[3][3] -1.37 _refine.B_iso_max ? _refine.B_iso_mean 16.102 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.964 _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 5FBB _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 35.51 _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 43897 _refine.ls_number_reflns_R_free 2252 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 95.85 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.14601 _refine.ls_R_factor_R_free 0.18815 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.14476 _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 0.114 _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 2.267 _refine.overall_SU_ML 0.068 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 4098 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 168 _refine_hist.number_atoms_solvent 439 _refine_hist.number_atoms_total 4705 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 35.51 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.017 0.019 4439 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.008 0.020 3924 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.728 1.954 6069 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.482 3.000 9116 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.751 5.000 542 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.576 25.980 204 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 13.085 15.000 667 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 14.587 15.000 6 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.115 0.200 679 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.010 0.020 5115 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.005 0.020 963 ? 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' ? 1.291 1.430 2144 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.282 1.428 2143 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.914 2.138 2679 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.917 2.140 2680 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.937 1.654 2295 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.937 1.654 2295 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 2.961 2.409 3384 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.950 13.098 5654 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.608 12.588 5495 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # loop_ _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.pdbx_type 'X-RAY DIFFRACTION' 1 1 1 ? 0.07 0.05 ? ? A 31664 'interatomic distance' 'X-RAY DIFFRACTION' 2 1 2 ? 0.07 0.05 ? ? B 31664 'interatomic distance' # _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 164 _refine_ls_shell.number_reflns_R_work 3020 _refine_ls_shell.percent_reflns_obs 94.48 _refine_ls_shell.percent_reflns_R_free 5.2 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.264 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.234 _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 ? # loop_ _struct_ncs_dom.id _struct_ncs_dom.details _struct_ncs_dom.pdbx_ens_id 1 A 1 2 B 1 # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 A 21 A 287 0 0 ? ? ? ? ? ? ? ? 1 ? 2 B 21 B 287 0 0 ? ? ? ? ? ? ? ? 1 ? # _struct_ncs_ens.id 1 _struct_ncs_ens.details ? # _struct.entry_id 5FBB _struct.title ;S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate ; _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 5FBB _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 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 6 ? K N N 6 ? L N N 7 ? M N N 7 ? N N N 7 ? O N N 8 ? P N N 8 ? Q N N 9 ? R N N 2 ? S N N 2 ? T N N 2 ? U N N 4 ? V N N 5 ? W N N 6 ? X N N 7 ? Y N N 7 ? Z N N 8 ? AA N N 8 ? BA N N 10 ? CA N N 10 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLY A 2 ? VAL A 17 ? GLY A 22 VAL A 37 1 ? 16 HELX_P HELX_P2 AA2 ALA A 18 ? GLY A 30 ? ALA A 38 GLY A 50 1 ? 13 HELX_P HELX_P3 AA3 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 ? ASN A 134 ? ASN A 148 ASN A 154 1 ? 7 HELX_P HELX_P11 AB2 LEU A 147 ? THR A 153 ? LEU A 167 THR A 173 1 ? 7 HELX_P HELX_P12 AB3 THR A 153 ? GLY A 161 ? THR A 173 GLY A 181 1 ? 9 HELX_P HELX_P13 AB4 SER A 164 ? THR A 181 ? SER A 184 THR A 201 1 ? 18 HELX_P HELX_P14 AB5 LYS A 187 ? THR A 192 ? LYS A 207 THR A 212 1 ? 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 ? ALA A 263 ? GLY A 254 ALA A 283 1 ? 30 HELX_P HELX_P18 AB9 GLY B 2 ? VAL B 17 ? GLY B 22 VAL B 37 1 ? 16 HELX_P HELX_P19 AC1 ALA B 18 ? GLY B 30 ? ALA B 38 GLY B 50 1 ? 13 HELX_P HELX_P20 AC2 LEU B 37 ? ALA B 41 ? LEU B 57 ALA B 61 5 ? 5 HELX_P HELX_P21 AC3 THR B 42 ? LYS B 48 ? THR B 62 LYS B 68 1 ? 7 HELX_P HELX_P22 AC4 GLY B 53 ? PHE B 61 ? GLY B 73 PHE B 81 5 ? 9 HELX_P HELX_P23 AC5 ASP B 75 ? CYS B 80 ? ASP B 95 CYS B 100 1 ? 6 HELX_P HELX_P24 AC6 CYS B 85 ? SER B 100 ? CYS B 105 SER B 120 1 ? 16 HELX_P HELX_P25 AC7 GLU B 105 ? HIS B 121 ? GLU B 125 HIS B 141 1 ? 17 HELX_P HELX_P26 AC8 GLN B 122 ? GLU B 127 ? GLN B 142 GLU B 147 5 ? 6 HELX_P HELX_P27 AC9 ASN B 128 ? GLY B 133 ? ASN B 148 GLY B 153 1 ? 6 HELX_P HELX_P28 AD1 LEU B 147 ? THR B 153 ? LEU B 167 THR B 173 1 ? 7 HELX_P HELX_P29 AD2 THR B 153 ? GLY B 161 ? THR B 173 GLY B 181 1 ? 9 HELX_P HELX_P30 AD3 SER B 164 ? THR B 181 ? SER B 184 THR B 201 1 ? 18 HELX_P HELX_P31 AD4 LYS B 187 ? THR B 192 ? LYS B 207 THR B 212 1 ? 6 HELX_P HELX_P32 AD5 ASP B 199 ? THR B 218 ? ASP B 219 THR B 238 1 ? 20 HELX_P HELX_P33 AD6 ASP B 222 ? THR B 230 ? ASP B 242 THR B 250 1 ? 9 HELX_P HELX_P34 AD7 GLY B 234 ? GLN B 265 ? GLY B 254 GLN B 285 1 ? 32 # _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 ? ? ? ? ? ? ? 2.057 ? disulf2 disulf ? ? A CYS 80 SG ? ? ? 1_555 A CYS 85 SG ? ? A CYS 100 A CYS 105 1_555 ? ? ? ? ? ? ? 2.157 ? disulf3 disulf ? ? B CYS 72 SG ? ? ? 1_555 B CYS 216 SG ? ? B CYS 92 B CYS 236 1_555 ? ? ? ? ? ? ? 2.064 ? disulf4 disulf ? ? B CYS 80 SG ? ? ? 1_555 B CYS 85 SG ? ? B CYS 100 B CYS 105 1_555 ? ? ? ? ? ? ? 2.169 ? metalc1 metalc ? ? A TRP 1 N ? ? ? 1_555 C ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.096 ? metalc2 metalc ? ? A TRP 1 O ? ? ? 1_555 C ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.104 ? metalc3 metalc ? ? A HIS 6 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 26 A ZN 401 1_555 ? ? ? ? ? ? ? 2.069 ? metalc4 metalc ? ? A ASP 45 OD1 ? ? ? 1_555 D ZN . ZN ? ? A ASP 65 A ZN 402 1_555 ? ? ? ? ? ? ? 2.566 ? metalc5 metalc ? ? A HIS 60 ND1 ? ? ? 1_555 D ZN . ZN ? ? A HIS 80 A ZN 402 1_555 ? ? ? ? ? ? ? 2.074 ? metalc6 metalc ? ? A ASP 63 OD2 ? ? ? 1_555 J NA . NA ? ? A ASP 83 A NA 801 1_555 ? ? ? ? ? ? ? 2.672 ? covale1 covale one ? A ASN 92 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 112 A NAG 501 1_555 ? ? ? ? ? ? ? 1.456 ? metalc7 metalc ? ? A LEU 98 O ? ? ? 1_555 K NA . NA ? ? A LEU 118 A NA 802 1_555 ? ? ? ? ? ? ? 2.402 ? metalc8 metalc ? ? A HIS 115 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 135 A ZN 402 1_555 ? ? ? ? ? ? ? 2.060 ? metalc9 metalc ? ? A ASP 119 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 139 A ZN 401 1_555 ? ? ? ? ? ? ? 2.049 ? metalc10 metalc ? ? A ASP 119 OD2 ? ? ? 1_555 D ZN . ZN ? ? A ASP 139 A ZN 402 1_555 ? ? ? ? ? ? ? 2.050 ? metalc11 metalc ? ? A HIS 125 NE2 ? ? ? 1_555 E ZN . ZN ? ? A HIS 145 A ZN 403 1_555 ? ? ? ? ? ? ? 2.124 ? metalc12 metalc ? ? A HIS 148 NE2 ? ? ? 1_555 E ZN . ZN ? ? A HIS 168 A ZN 403 1_555 ? ? ? ? ? ? ? 2.150 ? metalc13 metalc ? ? A ASP 152 OD2 ? ? ? 1_555 E ZN . ZN ? ? A ASP 172 A ZN 403 1_555 ? ? ? ? ? ? ? 2.053 ? metalc14 metalc ? ? A SER 186 O ? ? ? 1_555 N CA . CA ? ? A SER 206 A CA 903 1_555 ? ? ? ? ? ? ? 2.341 ? metalc15 metalc ? ? A ASP 189 O ? ? ? 1_555 L CA . CA ? ? A ASP 209 A CA 901 1_555 ? ? ? ? ? ? ? 2.456 ? metalc16 metalc ? ? A ASP 193 OD1 ? ? ? 1_555 L CA . CA ? ? A ASP 213 A CA 901 1_555 ? ? ? ? ? ? ? 2.382 ? covale2 covale one ? A ASN 228 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 248 A NAG 502 1_555 ? ? ? ? ? ? ? 1.424 ? metalc17 metalc ? ? B TRP 1 N ? ? ? 1_555 R ZN . ZN ? ? B TRP 21 B ZN 401 1_555 ? ? ? ? ? ? ? 2.111 ? metalc18 metalc ? ? B TRP 1 O ? ? ? 1_555 R ZN . ZN ? ? B TRP 21 B ZN 401 1_555 ? ? ? ? ? ? ? 2.157 ? metalc19 metalc ? ? B HIS 6 NE2 ? ? ? 1_555 R ZN . ZN ? ? B HIS 26 B ZN 401 1_555 ? ? ? ? ? ? ? 2.040 ? metalc20 metalc ? ? B ASP 45 OD1 ? ? ? 1_555 S ZN . ZN ? ? B ASP 65 B ZN 402 1_555 ? ? ? ? ? ? ? 2.580 ? metalc21 metalc ? ? B HIS 60 ND1 ? ? ? 1_555 S ZN . ZN ? ? B HIS 80 B ZN 402 1_555 ? ? ? ? ? ? ? 2.055 ? metalc22 metalc ? ? B ASP 63 OD2 ? ? ? 1_555 W NA . NA ? ? B ASP 83 B NA 801 1_555 ? ? ? ? ? ? ? 2.579 ? metalc23 metalc ? ? B HIS 115 NE2 ? ? ? 1_555 S ZN . ZN ? ? B HIS 135 B ZN 402 1_555 ? ? ? ? ? ? ? 2.064 ? metalc24 metalc ? ? B ASP 119 OD1 ? ? ? 1_555 R ZN . ZN ? ? B ASP 139 B ZN 401 1_555 ? ? ? ? ? ? ? 2.054 ? metalc25 metalc ? ? B ASP 119 OD2 ? ? ? 1_555 S ZN . ZN ? ? B ASP 139 B ZN 402 1_555 ? ? ? ? ? ? ? 2.048 ? metalc26 metalc ? ? B HIS 125 NE2 ? ? ? 1_555 T ZN . ZN ? ? B HIS 145 B ZN 403 1_555 ? ? ? ? ? ? ? 2.135 ? metalc27 metalc ? ? B HIS 148 NE2 ? ? ? 1_555 T ZN . ZN ? ? B HIS 168 B ZN 403 1_555 ? ? ? ? ? ? ? 2.142 ? metalc28 metalc ? ? B ASP 152 OD2 ? ? ? 1_555 T ZN . ZN ? ? B ASP 172 B ZN 403 1_555 ? ? ? ? ? ? ? 2.052 ? metalc29 metalc ? ? B ASP 189 O ? ? ? 1_555 X CA . CA ? ? B ASP 209 B CA 901 1_555 ? ? ? ? ? ? ? 2.443 ? metalc30 metalc ? ? B ASP 193 OD1 ? ? ? 1_555 X CA . CA ? ? B ASP 213 B CA 901 1_555 ? ? ? ? ? ? ? 2.334 ? metalc31 metalc ? ? C ZN . ZN ? ? ? 1_555 H PO4 . O3 ? ? A ZN 401 A PO4 601 1_555 ? ? ? ? ? ? ? 2.063 ? metalc32 metalc ? ? D ZN . ZN ? ? ? 1_555 H PO4 . O3 ? ? A ZN 402 A PO4 601 1_555 ? ? ? ? ? ? ? 1.855 ? metalc33 metalc ? ? E ZN . ZN ? ? ? 1_555 H PO4 . O1 ? ? A ZN 403 A PO4 601 1_555 ? ? ? ? ? ? ? 2.091 ? metalc34 metalc ? ? E ZN . ZN ? ? ? 1_555 BA HOH . O ? ? A ZN 403 A HOH 1203 1_555 ? ? ? ? ? ? ? 2.075 ? metalc35 metalc ? ? I AMP . O1P ? ? ? 1_555 J NA . NA ? ? A AMP 701 A NA 801 1_555 ? ? ? ? ? ? ? 2.386 ? metalc36 metalc ? ? J NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 801 A HOH 1547 1_555 ? ? ? ? ? ? ? 2.528 ? metalc37 metalc ? ? J NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 801 A HOH 1542 1_555 ? ? ? ? ? ? ? 2.152 ? metalc38 metalc ? ? J NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 801 A HOH 1721 1_555 ? ? ? ? ? ? ? 2.735 ? metalc39 metalc ? ? K NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 802 A HOH 1559 1_555 ? ? ? ? ? ? ? 2.167 ? metalc40 metalc ? ? K NA . NA ? ? ? 1_555 Q ETE . OH5 ? ? A NA 802 A ETE 1101 1_555 ? ? ? ? ? ? ? 2.757 ? metalc41 metalc ? ? K NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 802 A HOH 1596 1_555 ? ? ? ? ? ? ? 2.327 ? metalc42 metalc ? ? K NA . NA ? ? ? 1_555 Q ETE . OH6 ? ? A NA 802 A ETE 1101 1_555 ? ? ? ? ? ? ? 2.529 ? metalc43 metalc ? ? L CA . CA ? ? ? 1_555 BA HOH . O ? ? A CA 901 A HOH 1570 1_555 ? ? ? ? ? ? ? 2.232 ? metalc44 metalc ? ? L CA . CA ? ? ? 1_555 O BTB . O6 ? ? A CA 901 A BTB 1001 1_555 ? ? ? ? ? ? ? 2.403 ? metalc45 metalc ? ? L CA . CA ? ? ? 1_555 O BTB . O1 ? ? A CA 901 A BTB 1001 1_555 ? ? ? ? ? ? ? 2.604 ? metalc46 metalc ? ? L CA . CA ? ? ? 1_555 O BTB . O4 ? ? A CA 901 A BTB 1001 1_555 ? ? ? ? ? ? ? 2.432 ? metalc47 metalc ? ? L CA . CA ? ? ? 1_555 O BTB . O8 ? ? A CA 901 A BTB 1001 1_555 ? ? ? ? ? ? ? 2.248 ? metalc48 metalc ? ? M CA . CA ? ? ? 1_555 P BTB . O3 ? ? A CA 902 A BTB 1002 1_555 ? ? ? ? ? ? ? 2.757 ? metalc49 metalc ? ? M CA . CA ? ? ? 1_555 P BTB . O4 ? ? A CA 902 A BTB 1002 1_555 ? ? ? ? ? ? ? 2.323 ? metalc50 metalc ? ? M CA . CA ? ? ? 1_555 P BTB . O6 ? ? A CA 902 A BTB 1002 1_555 ? ? ? ? ? ? ? 2.432 ? metalc51 metalc ? ? M CA . CA ? ? ? 1_555 P BTB . O8 ? ? A CA 902 A BTB 1002 1_555 ? ? ? ? ? ? ? 2.282 ? metalc52 metalc ? ? M CA . CA ? ? ? 1_555 BA HOH . O ? ? A CA 902 A HOH 1507 1_555 ? ? ? ? ? ? ? 1.989 ? metalc53 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1708 1_555 ? ? ? ? ? ? ? 2.508 ? metalc54 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1523 1_555 ? ? ? ? ? ? ? 2.460 ? metalc55 metalc ? ? N CA . CA ? ? ? 1_555 BA HOH . O ? ? A CA 903 A HOH 1642 1_555 ? ? ? ? ? ? ? 2.677 ? metalc56 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1535 1_555 ? ? ? ? ? ? ? 2.749 ? metalc57 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1712 1_555 ? ? ? ? ? ? ? 2.896 ? metalc58 metalc ? ? R ZN . ZN ? ? ? 1_555 U PO4 . O1 ? ? B ZN 401 B PO4 601 1_555 ? ? ? ? ? ? ? 1.941 ? metalc59 metalc ? ? S ZN . ZN ? ? ? 1_555 U PO4 . O1 ? ? B ZN 402 B PO4 601 1_555 ? ? ? ? ? ? ? 1.924 ? metalc60 metalc ? ? T ZN . ZN ? ? ? 1_555 U PO4 . O3 ? ? B ZN 403 B PO4 601 1_555 ? ? ? ? ? ? ? 2.067 ? metalc61 metalc ? ? T ZN . ZN ? ? ? 1_555 CA HOH . O ? ? B ZN 403 B HOH 1203 1_555 ? ? ? ? ? ? ? 2.132 ? metalc62 metalc ? ? V AMP . O1P ? ? ? 1_555 W NA . NA ? ? B AMP 701 B NA 801 1_555 ? ? ? ? ? ? ? 2.562 ? metalc63 metalc ? ? W NA . NA ? ? ? 1_555 CA HOH . O ? ? B NA 801 B HOH 1574 1_555 ? ? ? ? ? ? ? 2.057 ? metalc64 metalc ? ? X CA . CA ? ? ? 1_555 Z BTB . O6 ? ? B CA 901 B BTB 1001 1_555 ? ? ? ? ? ? ? 2.477 ? metalc65 metalc ? ? X CA . CA ? ? ? 1_555 Z BTB . O3 ? ? B CA 901 B BTB 1001 1_555 ? ? ? ? ? ? ? 2.418 ? metalc66 metalc ? ? X CA . CA ? ? ? 1_555 Z BTB . O4 ? ? B CA 901 B BTB 1001 1_555 ? ? ? ? ? ? ? 2.441 ? metalc67 metalc ? ? X CA . CA ? ? ? 1_555 Z BTB . O8 ? ? B CA 901 B BTB 1001 1_555 ? ? ? ? ? ? ? 2.210 ? metalc68 metalc ? ? X CA . CA ? ? ? 1_555 CA HOH . O ? ? B CA 901 B HOH 1550 1_555 ? ? ? ? ? ? ? 2.209 ? metalc69 metalc ? ? Y CA . CA ? ? ? 1_555 AA BTB . O6 ? ? B CA 902 B BTB 1002 1_555 ? ? ? ? ? ? ? 2.431 ? metalc70 metalc ? ? Y CA . CA ? ? ? 1_555 CA HOH . O ? ? B CA 902 B HOH 1585 1_555 ? ? ? ? ? ? ? 2.334 ? metalc71 metalc ? ? Y CA . CA ? ? ? 1_555 AA BTB . O1 ? ? B CA 902 B BTB 1002 1_555 ? ? ? ? ? ? ? 2.429 ? metalc72 metalc ? ? Y CA . CA ? ? ? 1_555 AA BTB . O3 ? ? B CA 902 B BTB 1002 1_555 ? ? ? ? ? ? ? 2.382 ? metalc73 metalc ? ? Y CA . CA ? ? ? 1_555 AA BTB . O8 ? ? B CA 902 B BTB 1002 1_555 ? ? ? ? ? ? ? 2.411 ? metalc74 metalc ? ? Y CA . CA ? ? ? 1_555 CA HOH . O ? ? B CA 902 B HOH 1543 1_555 ? ? ? ? ? ? ? 2.486 ? metalc75 metalc ? ? Y CA . CA ? ? ? 1_555 CA HOH . O ? ? B CA 902 B HOH 1595 1_555 ? ? ? ? ? ? ? 2.260 ? metalc76 metalc ? ? A SER 229 O ? ? ? 1_555 K NA . NA ? ? A SER 249 A NA 802 1_445 ? ? ? ? ? ? ? 2.270 ? metalc77 metalc ? ? J NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 801 A HOH 1555 1_455 ? ? ? ? ? ? ? 2.870 ? metalc78 metalc ? ? J NA . NA ? ? ? 1_555 BA HOH . O ? ? A NA 801 A HOH 1701 1_455 ? ? ? ? ? ? ? 2.711 ? metalc79 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1590 1_545 ? ? ? ? ? ? ? 2.819 ? metalc80 metalc ? ? N CA . CA ? ? ? 1_555 CA HOH . O ? ? A CA 903 B HOH 1545 1_545 ? ? ? ? ? ? ? 2.450 ? metalc81 metalc ? ? W NA . NA ? ? ? 1_555 CA HOH . O ? ? B NA 801 B HOH 1705 1_655 ? ? ? ? ? ? ? 2.708 ? metalc82 metalc ? ? W NA . NA ? ? ? 1_555 CA HOH . O ? ? B NA 801 B HOH 1689 1_655 ? ? ? ? ? ? ? 2.546 ? metalc83 metalc ? ? W NA . NA ? ? ? 1_555 CA HOH . O ? ? B NA 801 B HOH 1534 1_655 ? ? ? ? ? ? ? 2.461 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PRO 68 A . ? PRO 88 A PRO 69 A ? PRO 89 A 1 5.66 2 PRO 68 B . ? PRO 88 B PRO 69 B ? PRO 89 B 1 7.37 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id 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 AA2 1 ASP B 137 ? TYR B 140 ? ASP B 157 TYR B 160 AA2 2 GLU B 143 ? ASN B 146 ? GLU B 163 ASN B 166 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N TYR A 140 ? N TYR A 160 O GLU A 143 ? O GLU A 163 AA2 1 2 N TYR B 140 ? N TYR B 160 O GLU B 143 ? O GLU B 163 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 401 ? 5 'binding site for residue ZN A 401' AC2 Software A ZN 402 ? 6 'binding site for residue ZN A 402' AC3 Software A ZN 403 ? 5 'binding site for residue ZN A 403' AC4 Software A PO4 601 ? 14 'binding site for residue PO4 A 601' AC5 Software A AMP 701 ? 18 'binding site for residue AMP A 701' AC6 Software A NA 801 ? 7 'binding site for residue NA A 801' AC7 Software A NA 802 ? 5 'binding site for residue NA A 802' AC8 Software A CA 901 ? 4 'binding site for residue CA A 901' AC9 Software A CA 902 ? 3 'binding site for residue CA A 902' AD1 Software A CA 903 ? 8 'binding site for residue CA A 903' AD2 Software A BTB 1001 ? 11 'binding site for residue BTB A 1001' AD3 Software A BTB 1002 ? 13 'binding site for residue BTB A 1002' AD4 Software A ETE 1101 ? 10 'binding site for residue ETE A 1101' AD5 Software B ZN 401 ? 5 'binding site for residue ZN B 401' AD6 Software B ZN 402 ? 6 'binding site for residue ZN B 402' AD7 Software B ZN 403 ? 5 'binding site for residue ZN B 403' AD8 Software B PO4 601 ? 14 'binding site for residue PO4 B 601' AD9 Software B AMP 701 ? 17 'binding site for residue AMP B 701' AE1 Software B NA 801 ? 6 'binding site for residue NA B 801' AE2 Software B CA 901 ? 4 'binding site for residue CA B 901' AE3 Software B CA 902 ? 4 'binding site for residue CA B 902' AE4 Software B BTB 1001 ? 9 'binding site for residue BTB B 1001' AE5 Software B BTB 1002 ? 15 'binding site for residue BTB B 1002' AE6 Software A NAG 501 ? 8 'binding site for Mono-Saccharide NAG A 501 bound to ASN A 112' AE7 Software A NAG 502 ? 14 '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 5 TRP A 1 ? TRP A 21 . ? 1_555 ? 2 AC1 5 HIS A 6 ? HIS A 26 . ? 1_555 ? 3 AC1 5 ASP A 119 ? ASP A 139 . ? 1_555 ? 4 AC1 5 ZN D . ? ZN A 402 . ? 1_555 ? 5 AC1 5 PO4 H . ? PO4 A 601 . ? 1_555 ? 6 AC2 6 ASP A 45 ? ASP A 65 . ? 1_555 ? 7 AC2 6 HIS A 60 ? HIS A 80 . ? 1_555 ? 8 AC2 6 HIS A 115 ? HIS A 135 . ? 1_555 ? 9 AC2 6 ASP A 119 ? ASP A 139 . ? 1_555 ? 10 AC2 6 ZN C . ? ZN A 401 . ? 1_555 ? 11 AC2 6 PO4 H . ? PO4 A 601 . ? 1_555 ? 12 AC3 5 HIS A 125 ? HIS A 145 . ? 1_555 ? 13 AC3 5 HIS A 148 ? HIS A 168 . ? 1_555 ? 14 AC3 5 ASP A 152 ? ASP A 172 . ? 1_555 ? 15 AC3 5 PO4 H . ? PO4 A 601 . ? 1_555 ? 16 AC3 5 HOH BA . ? HOH A 1203 . ? 1_555 ? 17 AC4 14 TRP A 1 ? TRP A 21 . ? 1_555 ? 18 AC4 14 HIS A 6 ? HIS A 26 . ? 1_555 ? 19 AC4 14 ASP A 45 ? ASP A 65 . ? 1_555 ? 20 AC4 14 LYS A 48 ? LYS A 68 . ? 1_555 ? 21 AC4 14 HIS A 115 ? HIS A 135 . ? 1_555 ? 22 AC4 14 ASP A 119 ? ASP A 139 . ? 1_555 ? 23 AC4 14 HIS A 125 ? HIS A 145 . ? 1_555 ? 24 AC4 14 ASP A 152 ? ASP A 172 . ? 1_555 ? 25 AC4 14 ZN C . ? ZN A 401 . ? 1_555 ? 26 AC4 14 ZN D . ? ZN A 402 . ? 1_555 ? 27 AC4 14 ZN E . ? ZN A 403 . ? 1_555 ? 28 AC4 14 HOH BA . ? HOH A 1203 . ? 1_555 ? 29 AC4 14 HOH BA . ? HOH A 1584 . ? 1_555 ? 30 AC4 14 HOH BA . ? HOH A 1599 . ? 1_555 ? 31 AC5 18 GLU A 22 ? GLU A 42 . ? 1_455 ? 32 AC5 18 PHE A 61 ? PHE A 81 . ? 1_555 ? 33 AC5 18 ASP A 63 ? ASP A 83 . ? 1_555 ? 34 AC5 18 LEU A 124 ? LEU A 144 . ? 1_555 ? 35 AC5 18 GLU A 127 ? GLU A 147 . ? 1_555 ? 36 AC5 18 ALA A 131 ? ALA A 151 . ? 1_555 ? 37 AC5 18 GLY A 132 ? GLY A 152 . ? 1_555 ? 38 AC5 18 ASN A 134 ? ASN A 154 . ? 1_555 ? 39 AC5 18 HIS A 148 ? HIS A 168 . ? 1_555 ? 40 AC5 18 NA J . ? NA A 801 . ? 1_555 ? 41 AC5 18 HOH BA . ? HOH A 1504 . ? 1_455 ? 42 AC5 18 HOH BA . ? HOH A 1542 . ? 1_555 ? 43 AC5 18 HOH BA . ? HOH A 1547 . ? 1_555 ? 44 AC5 18 HOH BA . ? HOH A 1557 . ? 1_555 ? 45 AC5 18 HOH BA . ? HOH A 1617 . ? 1_555 ? 46 AC5 18 HOH BA . ? HOH A 1624 . ? 1_555 ? 47 AC5 18 HOH BA . ? HOH A 1656 . ? 1_555 ? 48 AC5 18 BTB Z . ? BTB B 1001 . ? 1_556 ? 49 AC6 7 ASP A 63 ? ASP A 83 . ? 1_555 ? 50 AC6 7 AMP I . ? AMP A 701 . ? 1_555 ? 51 AC6 7 HOH BA . ? HOH A 1542 . ? 1_555 ? 52 AC6 7 HOH BA . ? HOH A 1547 . ? 1_555 ? 53 AC6 7 HOH BA . ? HOH A 1555 . ? 1_455 ? 54 AC6 7 HOH BA . ? HOH A 1701 . ? 1_455 ? 55 AC6 7 HOH BA . ? HOH A 1721 . ? 1_555 ? 56 AC7 5 LEU A 98 ? LEU A 118 . ? 1_555 ? 57 AC7 5 SER A 229 ? SER A 249 . ? 1_665 ? 58 AC7 5 ETE Q . ? ETE A 1101 . ? 1_555 ? 59 AC7 5 HOH BA . ? HOH A 1559 . ? 1_555 ? 60 AC7 5 HOH BA . ? HOH A 1596 . ? 1_555 ? 61 AC8 4 ASP A 189 ? ASP A 209 . ? 1_555 ? 62 AC8 4 ASP A 193 ? ASP A 213 . ? 1_555 ? 63 AC8 4 BTB O . ? BTB A 1001 . ? 1_555 ? 64 AC8 4 HOH BA . ? HOH A 1570 . ? 1_555 ? 65 AC9 3 BTB P . ? BTB A 1002 . ? 1_555 ? 66 AC9 3 HOH BA . ? HOH A 1507 . ? 1_555 ? 67 AC9 3 SER B 202 ? SER B 222 . ? 1_556 ? 68 AD1 8 SER A 186 ? SER A 206 . ? 1_555 ? 69 AD1 8 HOH BA . ? HOH A 1642 . ? 1_555 ? 70 AD1 8 HOH CA . ? HOH B 1523 . ? 1_555 ? 71 AD1 8 HOH CA . ? HOH B 1535 . ? 1_555 ? 72 AD1 8 HOH CA . ? HOH B 1545 . ? 1_545 ? 73 AD1 8 HOH CA . ? HOH B 1590 . ? 1_545 ? 74 AD1 8 HOH CA . ? HOH B 1708 . ? 1_555 ? 75 AD1 8 HOH CA . ? HOH B 1712 . ? 1_555 ? 76 AD2 11 ASP A 189 ? ASP A 209 . ? 1_555 ? 77 AD2 11 THR A 192 ? THR A 212 . ? 1_555 ? 78 AD2 11 ASP A 193 ? ASP A 213 . ? 1_555 ? 79 AD2 11 CA L . ? CA A 901 . ? 1_555 ? 80 AD2 11 HOH BA . ? HOH A 1554 . ? 1_555 ? 81 AD2 11 HOH BA . ? HOH A 1570 . ? 1_555 ? 82 AD2 11 HOH BA . ? HOH A 1655 . ? 1_555 ? 83 AD2 11 ASP B 32 ? ASP B 52 . ? 1_655 ? 84 AD2 11 THR B 34 ? THR B 54 . ? 1_655 ? 85 AD2 11 AMP V . ? AMP B 701 . ? 1_555 ? 86 AD2 11 HOH CA . ? HOH B 1607 . ? 1_655 ? 87 AD3 13 ASN A 3 ? ASN A 23 . ? 1_555 ? 88 AD3 13 THR A 153 ? THR A 173 . ? 1_555 ? 89 AD3 13 GLU A 157 ? GLU A 177 . ? 1_555 ? 90 AD3 13 TYR A 163 ? TYR A 183 . ? 1_555 ? 91 AD3 13 CA M . ? CA A 902 . ? 1_555 ? 92 AD3 13 HOH BA . ? HOH A 1503 . ? 1_555 ? 93 AD3 13 HOH BA . ? HOH A 1507 . ? 1_555 ? 94 AD3 13 HOH BA . ? HOH A 1523 . ? 1_555 ? 95 AD3 13 HOH BA . ? HOH A 1560 . ? 1_555 ? 96 AD3 13 HOH BA . ? HOH A 1572 . ? 1_555 ? 97 AD3 13 ASP B 199 ? ASP B 219 . ? 1_556 ? 98 AD3 13 VAL B 201 ? VAL B 221 . ? 1_556 ? 99 AD3 13 SER B 202 ? SER B 222 . ? 1_556 ? 100 AD4 10 LEU A 98 ? LEU A 118 . ? 1_555 ? 101 AD4 10 PRO A 101 ? PRO A 121 . ? 1_555 ? 102 AD4 10 THR A 139 ? THR A 159 . ? 1_665 ? 103 AD4 10 SER A 229 ? SER A 249 . ? 1_665 ? 104 AD4 10 THR A 230 ? THR A 250 . ? 1_665 ? 105 AD4 10 ASP A 231 ? ASP A 251 . ? 1_665 ? 106 AD4 10 SER A 233 ? SER A 253 . ? 1_665 ? 107 AD4 10 ALA A 263 ? ALA A 283 . ? 1_555 ? 108 AD4 10 NA K . ? NA A 802 . ? 1_555 ? 109 AD4 10 HOH BA . ? HOH A 1643 . ? 1_555 ? 110 AD5 5 TRP B 1 ? TRP B 21 . ? 1_555 ? 111 AD5 5 HIS B 6 ? HIS B 26 . ? 1_555 ? 112 AD5 5 ASP B 119 ? ASP B 139 . ? 1_555 ? 113 AD5 5 ZN S . ? ZN B 402 . ? 1_555 ? 114 AD5 5 PO4 U . ? PO4 B 601 . ? 1_555 ? 115 AD6 6 ASP B 45 ? ASP B 65 . ? 1_555 ? 116 AD6 6 HIS B 60 ? HIS B 80 . ? 1_555 ? 117 AD6 6 HIS B 115 ? HIS B 135 . ? 1_555 ? 118 AD6 6 ASP B 119 ? ASP B 139 . ? 1_555 ? 119 AD6 6 ZN R . ? ZN B 401 . ? 1_555 ? 120 AD6 6 PO4 U . ? PO4 B 601 . ? 1_555 ? 121 AD7 5 HIS B 125 ? HIS B 145 . ? 1_555 ? 122 AD7 5 HIS B 148 ? HIS B 168 . ? 1_555 ? 123 AD7 5 ASP B 152 ? ASP B 172 . ? 1_555 ? 124 AD7 5 PO4 U . ? PO4 B 601 . ? 1_555 ? 125 AD7 5 HOH CA . ? HOH B 1203 . ? 1_555 ? 126 AD8 14 TRP B 1 ? TRP B 21 . ? 1_555 ? 127 AD8 14 HIS B 6 ? HIS B 26 . ? 1_555 ? 128 AD8 14 ASP B 45 ? ASP B 65 . ? 1_555 ? 129 AD8 14 LYS B 48 ? LYS B 68 . ? 1_555 ? 130 AD8 14 HIS B 115 ? HIS B 135 . ? 1_555 ? 131 AD8 14 ASP B 119 ? ASP B 139 . ? 1_555 ? 132 AD8 14 HIS B 125 ? HIS B 145 . ? 1_555 ? 133 AD8 14 ASP B 152 ? ASP B 172 . ? 1_555 ? 134 AD8 14 ZN R . ? ZN B 401 . ? 1_555 ? 135 AD8 14 ZN S . ? ZN B 402 . ? 1_555 ? 136 AD8 14 ZN T . ? ZN B 403 . ? 1_555 ? 137 AD8 14 HOH CA . ? HOH B 1203 . ? 1_555 ? 138 AD8 14 HOH CA . ? HOH B 1557 . ? 1_555 ? 139 AD8 14 HOH CA . ? HOH B 1591 . ? 1_555 ? 140 AD9 17 BTB O . ? BTB A 1001 . ? 1_555 ? 141 AD9 17 GLU B 22 ? GLU B 42 . ? 1_655 ? 142 AD9 17 PHE B 61 ? PHE B 81 . ? 1_555 ? 143 AD9 17 ASP B 63 ? ASP B 83 . ? 1_555 ? 144 AD9 17 LEU B 124 ? LEU B 144 . ? 1_555 ? 145 AD9 17 GLU B 127 ? GLU B 147 . ? 1_555 ? 146 AD9 17 ALA B 131 ? ALA B 151 . ? 1_555 ? 147 AD9 17 GLY B 132 ? GLY B 152 . ? 1_555 ? 148 AD9 17 ASN B 134 ? ASN B 154 . ? 1_555 ? 149 AD9 17 HIS B 148 ? HIS B 168 . ? 1_555 ? 150 AD9 17 NA W . ? NA B 801 . ? 1_555 ? 151 AD9 17 HOH CA . ? HOH B 1515 . ? 1_555 ? 152 AD9 17 HOH CA . ? HOH B 1532 . ? 1_555 ? 153 AD9 17 HOH CA . ? HOH B 1534 . ? 1_655 ? 154 AD9 17 HOH CA . ? HOH B 1574 . ? 1_555 ? 155 AD9 17 HOH CA . ? HOH B 1577 . ? 1_555 ? 156 AD9 17 HOH CA . ? HOH B 1596 . ? 1_555 ? 157 AE1 6 ASP B 63 ? ASP B 83 . ? 1_555 ? 158 AE1 6 AMP V . ? AMP B 701 . ? 1_555 ? 159 AE1 6 HOH CA . ? HOH B 1534 . ? 1_655 ? 160 AE1 6 HOH CA . ? HOH B 1574 . ? 1_555 ? 161 AE1 6 HOH CA . ? HOH B 1689 . ? 1_655 ? 162 AE1 6 HOH CA . ? HOH B 1705 . ? 1_655 ? 163 AE2 4 ASP B 189 ? ASP B 209 . ? 1_555 ? 164 AE2 4 ASP B 193 ? ASP B 213 . ? 1_555 ? 165 AE2 4 BTB Z . ? BTB B 1001 . ? 1_555 ? 166 AE2 4 HOH CA . ? HOH B 1550 . ? 1_555 ? 167 AE3 4 BTB AA . ? BTB B 1002 . ? 1_555 ? 168 AE3 4 HOH CA . ? HOH B 1543 . ? 1_555 ? 169 AE3 4 HOH CA . ? HOH B 1585 . ? 1_555 ? 170 AE3 4 HOH CA . ? HOH B 1595 . ? 1_555 ? 171 AE4 9 ASP A 32 ? ASP A 52 . ? 1_454 ? 172 AE4 9 THR A 34 ? THR A 54 . ? 1_454 ? 173 AE4 9 AMP I . ? AMP A 701 . ? 1_554 ? 174 AE4 9 ASP B 189 ? ASP B 209 . ? 1_555 ? 175 AE4 9 THR B 192 ? THR B 212 . ? 1_555 ? 176 AE4 9 ASP B 193 ? ASP B 213 . ? 1_555 ? 177 AE4 9 CA X . ? CA B 901 . ? 1_555 ? 178 AE4 9 HOH CA . ? HOH B 1550 . ? 1_555 ? 179 AE4 9 HOH CA . ? HOH B 1662 . ? 1_555 ? 180 AE5 15 ASP A 199 ? ASP A 219 . ? 1_555 ? 181 AE5 15 VAL A 201 ? VAL A 221 . ? 1_555 ? 182 AE5 15 SER A 202 ? SER A 222 . ? 1_555 ? 183 AE5 15 ASN B 3 ? ASN B 23 . ? 1_555 ? 184 AE5 15 THR B 153 ? THR B 173 . ? 1_555 ? 185 AE5 15 GLU B 157 ? GLU B 177 . ? 1_555 ? 186 AE5 15 TYR B 163 ? TYR B 183 . ? 1_555 ? 187 AE5 15 CA Y . ? CA B 902 . ? 1_555 ? 188 AE5 15 HOH CA . ? HOH B 1505 . ? 1_555 ? 189 AE5 15 HOH CA . ? HOH B 1536 . ? 1_555 ? 190 AE5 15 HOH CA . ? HOH B 1543 . ? 1_555 ? 191 AE5 15 HOH CA . ? HOH B 1585 . ? 1_555 ? 192 AE5 15 HOH CA . ? HOH B 1595 . ? 1_555 ? 193 AE5 15 HOH CA . ? HOH B 1615 . ? 1_555 ? 194 AE5 15 HOH CA . ? HOH B 1621 . ? 1_555 ? 195 AE6 8 TYR A 59 ? TYR A 79 . ? 1_555 ? 196 AE6 8 ASN A 92 ? ASN A 112 . ? 1_555 ? 197 AE6 8 TYR A 93 ? TYR A 113 . ? 1_555 ? 198 AE6 8 GLU A 105 ? GLU A 125 . ? 1_555 ? 199 AE6 8 HOH BA . ? HOH A 1501 . ? 1_555 ? 200 AE6 8 HOH BA . ? HOH A 1516 . ? 1_555 ? 201 AE6 8 HOH BA . ? HOH A 1526 . ? 1_555 ? 202 AE6 8 HOH BA . ? HOH A 1593 . ? 1_555 ? 203 AE7 14 GLU A 130 ? GLU A 150 . ? 1_555 ? 204 AE7 14 GLY A 135 ? GLY A 155 . ? 1_555 ? 205 AE7 14 ILE A 136 ? ILE A 156 . ? 1_555 ? 206 AE7 14 ASP A 137 ? ASP A 157 . ? 1_555 ? 207 AE7 14 ASP A 173 ? ASP A 193 . ? 1_455 ? 208 AE7 14 LEU A 224 ? LEU A 244 . ? 1_555 ? 209 AE7 14 ALA A 225 ? ALA A 245 . ? 1_555 ? 210 AE7 14 ASN A 228 ? ASN A 248 . ? 1_555 ? 211 AE7 14 HOH BA . ? HOH A 1550 . ? 1_555 ? 212 AE7 14 HOH BA . ? HOH A 1556 . ? 1_555 ? 213 AE7 14 HOH BA . ? HOH A 1567 . ? 1_555 ? 214 AE7 14 HOH BA . ? HOH A 1638 . ? 1_555 ? 215 AE7 14 HOH BA . ? HOH A 1644 . ? 1_555 ? 216 AE7 14 GLY B 142 ? GLY B 162 . ? 1_445 ? # _atom_sites.entry_id 5FBB _atom_sites.fract_transf_matrix[1][1] 0.023343 _atom_sites.fract_transf_matrix[1][2] 0.006804 _atom_sites.fract_transf_matrix[1][3] 0.002138 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021864 _atom_sites.fract_transf_matrix[2][3] 0.006748 _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] 0.016718 _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 CA N NA 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 ? -2.951 -2.695 4.273 1.00 9.62 ? 21 TRP A N 1 ATOM 2 C CA . TRP A 1 1 ? -2.228 -3.914 4.684 1.00 9.90 ? 21 TRP A CA 1 ATOM 3 C C . TRP A 1 1 ? -2.151 -3.930 6.171 1.00 10.49 ? 21 TRP A C 1 ATOM 4 O O . TRP A 1 1 ? -2.265 -2.881 6.830 1.00 10.43 ? 21 TRP A O 1 ATOM 5 C CB . TRP A 1 1 ? -0.761 -3.922 4.115 1.00 10.50 ? 21 TRP A CB 1 ATOM 6 C CG . TRP A 1 1 ? -0.648 -3.687 2.584 1.00 9.88 ? 21 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 1 ? -0.336 -2.511 1.964 1.00 9.88 ? 21 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 1 ? -0.913 -4.633 1.539 1.00 9.61 ? 21 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 1 ? -0.368 -2.674 0.619 1.00 10.03 ? 21 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 1 ? -0.726 -3.966 0.333 1.00 9.62 ? 21 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 1 ? -1.328 -5.973 1.523 1.00 9.29 ? 21 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 1 ? -0.903 -4.580 -0.898 1.00 9.41 ? 21 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 1 ? -1.545 -6.588 0.302 1.00 9.55 ? 21 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 1 ? -1.312 -5.897 -0.894 1.00 9.78 ? 21 TRP A CH2 1 ATOM 15 N N . GLY A 1 2 ? -1.867 -5.117 6.708 1.00 10.06 ? 22 GLY A N 1 ATOM 16 C CA . GLY A 1 2 ? -1.512 -5.261 8.090 1.00 10.95 ? 22 GLY A CA 1 ATOM 17 C C . GLY A 1 2 ? -0.035 -4.973 8.256 1.00 11.67 ? 22 GLY A C 1 ATOM 18 O O . GLY A 1 2 ? 0.651 -4.483 7.317 1.00 10.73 ? 22 GLY A O 1 ATOM 19 N N . ASN A 1 3 ? 0.516 -5.326 9.414 1.00 11.76 ? 23 ASN A N 1 ATOM 20 C CA . ASN A 1 3 ? 1.865 -4.841 9.766 1.00 13.09 ? 23 ASN A CA 1 ATOM 21 C C . ASN A 1 3 ? 2.952 -5.338 8.850 1.00 12.36 ? 23 ASN A C 1 ATOM 22 O O . ASN A 1 3 ? 3.812 -4.549 8.447 1.00 11.46 ? 23 ASN A O 1 ATOM 23 C CB . ASN A 1 3 ? 2.237 -5.168 11.226 1.00 14.47 ? 23 ASN A CB 1 ATOM 24 C CG . ASN A 1 3 ? 1.370 -4.427 12.218 1.00 18.11 ? 23 ASN A CG 1 ATOM 25 O OD1 . ASN A 1 3 ? 0.504 -3.586 11.851 1.00 19.79 ? 23 ASN A OD1 1 ATOM 26 N ND2 . ASN A 1 3 ? 1.628 -4.652 13.493 1.00 21.27 ? 23 ASN A ND2 1 ATOM 27 N N . LEU A 1 4 ? 2.915 -6.625 8.501 1.00 12.02 ? 24 LEU A N 1 ATOM 28 C CA . LEU A 1 4 ? 3.957 -7.205 7.666 1.00 12.13 ? 24 LEU A CA 1 ATOM 29 C C . LEU A 1 4 ? 3.969 -6.488 6.309 1.00 10.80 ? 24 LEU A C 1 ATOM 30 O O . LEU A 1 4 ? 5.033 -6.128 5.789 1.00 9.65 ? 24 LEU A O 1 ATOM 31 C CB . LEU A 1 4 ? 3.823 -8.748 7.503 1.00 14.89 ? 24 LEU A CB 1 ATOM 32 C CG . LEU A 1 4 ? 4.906 -9.267 6.522 1.00 17.22 ? 24 LEU A CG 1 ATOM 33 C CD1 . LEU A 1 4 ? 5.868 -10.340 7.014 1.00 19.26 ? 24 LEU A CD1 1 ATOM 34 C CD2 . LEU A 1 4 ? 4.204 -9.675 5.222 1.00 18.10 ? 24 LEU A CD2 1 ATOM 35 N N . GLY A 1 5 ? 2.789 -6.238 5.760 1.00 10.10 ? 25 GLY A N 1 ATOM 36 C CA . GLY A 1 5 ? 2.656 -5.566 4.478 1.00 9.69 ? 25 GLY A CA 1 ATOM 37 C C . GLY A 1 5 ? 3.310 -4.198 4.476 1.00 9.50 ? 25 GLY A C 1 ATOM 38 O O . GLY A 1 5 ? 4.117 -3.879 3.589 1.00 9.35 ? 25 GLY A O 1 ATOM 39 N N . HIS A 1 6 ? 3.014 -3.396 5.505 1.00 9.08 ? 26 HIS A N 1 ATOM 40 C CA . HIS A 1 6 ? 3.601 -2.060 5.658 1.00 8.74 ? 26 HIS A CA 1 ATOM 41 C C . HIS A 1 6 ? 5.072 -2.041 5.894 1.00 8.87 ? 26 HIS A C 1 ATOM 42 O O . HIS A 1 6 ? 5.776 -1.204 5.300 1.00 9.43 ? 26 HIS A O 1 ATOM 43 C CB . HIS A 1 6 ? 2.902 -1.276 6.751 1.00 8.36 ? 26 HIS A CB 1 ATOM 44 C CG . HIS A 1 6 ? 1.538 -0.851 6.326 1.00 8.16 ? 26 HIS A CG 1 ATOM 45 N ND1 . HIS A 1 6 ? 1.356 0.094 5.331 1.00 8.32 ? 26 HIS A ND1 1 ATOM 46 C CD2 . HIS A 1 6 ? 0.315 -1.327 6.625 1.00 8.07 ? 26 HIS A CD2 1 ATOM 47 C CE1 . HIS A 1 6 ? 0.072 0.243 5.105 1.00 8.68 ? 26 HIS A CE1 1 ATOM 48 N NE2 . HIS A 1 6 ? -0.581 -0.646 5.845 1.00 8.08 ? 26 HIS A NE2 1 ATOM 49 N N . GLU A 1 7 ? 5.543 -2.981 6.686 1.00 9.22 ? 27 GLU A N 1 ATOM 50 C CA . GLU A 1 7 ? 6.995 -3.053 6.965 1.00 9.98 ? 27 GLU A CA 1 ATOM 51 C C . GLU A 1 7 ? 7.736 -3.470 5.710 1.00 9.62 ? 27 GLU A C 1 ATOM 52 O O . GLU A 1 7 ? 8.877 -2.981 5.443 1.00 9.87 ? 27 GLU A O 1 ATOM 53 C CB . GLU A 1 7 ? 7.280 -4.027 8.102 1.00 11.88 ? 27 GLU A CB 1 ATOM 54 C CG . GLU A 1 7 ? 6.741 -3.523 9.438 1.00 13.45 ? 27 GLU A CG 1 ATOM 55 C CD . GLU A 1 7 ? 6.498 -4.587 10.490 1.00 16.52 ? 27 GLU A CD 1 ATOM 56 O OE1 . GLU A 1 7 ? 6.595 -5.805 10.278 1.00 17.45 ? 27 GLU A OE1 1 ATOM 57 O OE2 . GLU A 1 7 ? 6.119 -4.133 11.583 1.00 18.28 ? 27 GLU A OE2 1 ATOM 58 N N . THR A 1 8 ? 7.168 -4.414 4.981 1.00 8.62 ? 28 THR A N 1 ATOM 59 C CA . THR A 1 8 ? 7.776 -4.866 3.704 1.00 9.36 ? 28 THR A CA 1 ATOM 60 C C . THR A 1 8 ? 7.905 -3.719 2.689 1.00 8.53 ? 28 THR A C 1 ATOM 61 O O . THR A 1 8 ? 8.957 -3.460 2.127 1.00 7.63 ? 28 THR A O 1 ATOM 62 C CB . THR A 1 8 ? 7.003 -6.042 3.106 1.00 10.08 ? 28 THR A CB 1 ATOM 63 O OG1 . THR A 1 8 ? 6.976 -7.139 4.062 1.00 10.15 ? 28 THR A OG1 1 ATOM 64 C CG2 . THR A 1 8 ? 7.703 -6.550 1.833 1.00 10.54 ? 28 THR A CG2 1 ATOM 65 N N . VAL A 1 9 ? 6.806 -2.997 2.517 1.00 7.68 ? 29 VAL A N 1 ATOM 66 C CA . VAL A 1 9 ? 6.840 -1.842 1.632 1.00 8.01 ? 29 VAL A CA 1 ATOM 67 C C . VAL A 1 9 ? 7.978 -0.885 2.039 1.00 7.89 ? 29 VAL A C 1 ATOM 68 O O . VAL A 1 9 ? 8.738 -0.422 1.187 1.00 7.65 ? 29 VAL A O 1 ATOM 69 C CB . VAL A 1 9 ? 5.475 -1.128 1.655 1.00 7.85 ? 29 VAL A CB 1 ATOM 70 C CG1 . VAL A 1 9 ? 5.552 0.286 1.087 1.00 8.33 ? 29 VAL A CG1 1 ATOM 71 C CG2 . VAL A 1 9 ? 4.451 -1.979 0.936 1.00 8.16 ? 29 VAL A CG2 1 ATOM 72 N N . ALA A 1 10 ? 8.041 -0.557 3.332 1.00 8.36 ? 30 ALA A N 1 ATOM 73 C CA . ALA A 1 10 ? 9.085 0.326 3.863 1.00 8.92 ? 30 ALA A CA 1 ATOM 74 C C . ALA A 1 10 ? 10.526 -0.176 3.643 1.00 9.17 ? 30 ALA A C 1 ATOM 75 O O . ALA A 1 10 ? 11.389 0.601 3.180 1.00 9.90 ? 30 ALA A O 1 ATOM 76 C CB . ALA A 1 10 ? 8.881 0.589 5.341 1.00 9.47 ? 30 ALA A CB 1 ATOM 77 N N . TYR A 1 11 ? 10.779 -1.464 3.908 1.00 8.86 ? 31 TYR A N 1 ATOM 78 C CA . TYR A 1 11 ? 12.125 -2.010 3.648 1.00 9.53 ? 31 TYR A CA 1 ATOM 79 C C . TYR A 1 11 ? 12.484 -2.001 2.185 1.00 8.97 ? 31 TYR A C 1 ATOM 80 O O . TYR A 1 11 ? 13.632 -1.715 1.834 1.00 8.80 ? 31 TYR A O 1 ATOM 81 C CB . TYR A 1 11 ? 12.238 -3.436 4.137 1.00 9.82 ? 31 TYR A CB 1 ATOM 82 C CG . TYR A 1 11 ? 12.503 -3.569 5.611 1.00 10.12 ? 31 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 11 ? 13.620 -3.025 6.176 1.00 10.60 ? 31 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 11 ? 11.674 -4.397 6.416 1.00 10.74 ? 31 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 11 ? 13.930 -3.246 7.515 1.00 11.67 ? 31 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 11 ? 11.963 -4.584 7.758 1.00 11.10 ? 31 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 11 ? 13.088 -4.036 8.297 1.00 11.98 ? 31 TYR A CZ 1 ATOM 88 O OH . TYR A 1 11 ? 13.392 -4.245 9.657 1.00 12.76 ? 31 TYR A OH 1 ATOM 89 N N . ILE A 1 12 ? 11.498 -2.285 1.331 1.00 8.86 ? 32 ILE A N 1 ATOM 90 C CA . ILE A 1 12 ? 11.675 -2.117 -0.122 1.00 9.64 ? 32 ILE A CA 1 ATOM 91 C C . ILE A 1 12 ? 12.071 -0.651 -0.449 1.00 9.61 ? 32 ILE A C 1 ATOM 92 O O . ILE A 1 12 ? 13.093 -0.395 -1.122 1.00 10.45 ? 32 ILE A O 1 ATOM 93 C CB . ILE A 1 12 ? 10.485 -2.549 -0.949 1.00 9.42 ? 32 ILE A CB 1 ATOM 94 C CG1 . ILE A 1 12 ? 10.257 -4.032 -0.797 1.00 9.42 ? 32 ILE A CG1 1 ATOM 95 C CG2 . ILE A 1 12 ? 10.712 -2.150 -2.428 1.00 9.32 ? 32 ILE A CG2 1 ATOM 96 C CD1 . ILE A 1 12 ? 8.904 -4.510 -1.343 1.00 10.06 ? 32 ILE A CD1 1 ATOM 97 N N . ALA A 1 13 ? 11.315 0.325 0.056 1.00 10.31 ? 33 ALA A N 1 ATOM 98 C CA . ALA A 1 13 ? 11.682 1.724 -0.234 1.00 10.70 ? 33 ALA A CA 1 ATOM 99 C C . ALA A 1 13 ? 13.153 2.006 0.219 1.00 11.05 ? 33 ALA A C 1 ATOM 100 O O . ALA A 1 13 ? 13.876 2.720 -0.456 1.00 12.20 ? 33 ALA A O 1 ATOM 101 C CB . ALA A 1 13 ? 10.700 2.712 0.374 1.00 11.08 ? 33 ALA A CB 1 ATOM 102 N N . GLN A 1 14 ? 13.531 1.553 1.418 1.00 11.64 ? 34 GLN A N 1 ATOM 103 C CA . GLN A 1 14 ? 14.872 1.735 1.942 1.00 11.53 ? 34 GLN A CA 1 ATOM 104 C C . GLN A 1 14 ? 15.928 1.247 0.959 1.00 12.39 ? 34 GLN A C 1 ATOM 105 O O . GLN A 1 14 ? 17.001 1.875 0.874 1.00 12.50 ? 34 GLN A O 1 ATOM 106 C CB . GLN A 1 14 ? 15.104 1.073 3.327 1.00 11.32 ? 34 GLN A CB 1 ATOM 107 C CG . GLN A 1 14 ? 14.301 1.670 4.476 1.00 11.04 ? 34 GLN A CG 1 ATOM 108 C CD . GLN A 1 14 ? 14.496 0.933 5.793 1.00 10.99 ? 34 GLN A CD 1 ATOM 109 O OE1 . GLN A 1 14 ? 13.701 1.066 6.727 1.00 9.90 ? 34 GLN A OE1 1 ATOM 110 N NE2 . GLN A 1 14 ? 15.613 0.148 5.904 1.00 11.88 ? 34 GLN A NE2 1 ATOM 111 N N . SER A 1 15 ? 15.672 0.166 0.244 1.00 11.79 ? 35 SER A N 1 ATOM 112 C CA . SER A 1 15 ? 16.630 -0.320 -0.722 1.00 13.58 ? 35 SER A CA 1 ATOM 113 C C . SER A 1 15 ? 16.704 0.495 -2.012 1.00 14.23 ? 35 SER A C 1 ATOM 114 O O . SER A 1 15 ? 17.655 0.346 -2.793 1.00 16.52 ? 35 SER A O 1 ATOM 115 C CB . SER A 1 15 ? 16.276 -1.762 -1.105 1.00 14.83 ? 35 SER A CB 1 ATOM 116 O OG . SER A 1 15 ? 16.245 -2.584 0.045 1.00 17.02 ? 35 SER A OG 1 ATOM 117 N N . PHE A 1 16 ? 15.743 1.384 -2.258 1.00 12.02 ? 36 PHE A N 1 ATOM 118 C CA . PHE A 1 16 ? 15.809 2.202 -3.520 1.00 11.83 ? 36 PHE A CA 1 ATOM 119 C C . PHE A 1 16 ? 16.041 3.676 -3.378 1.00 11.75 ? 36 PHE A C 1 ATOM 120 O O . PHE A 1 16 ? 16.361 4.327 -4.349 1.00 12.24 ? 36 PHE A O 1 ATOM 121 C CB . PHE A 1 16 ? 14.548 1.940 -4.354 1.00 11.25 ? 36 PHE A CB 1 ATOM 122 C CG . PHE A 1 16 ? 14.521 0.555 -4.937 1.00 10.71 ? 36 PHE A CG 1 ATOM 123 C CD1 . PHE A 1 16 ? 15.267 0.264 -6.063 1.00 12.38 ? 36 PHE A CD1 1 ATOM 124 C CD2 . PHE A 1 16 ? 13.804 -0.477 -4.333 1.00 10.95 ? 36 PHE A CD2 1 ATOM 125 C CE1 . PHE A 1 16 ? 15.250 -1.006 -6.604 1.00 12.64 ? 36 PHE A CE1 1 ATOM 126 C CE2 . PHE A 1 16 ? 13.788 -1.744 -4.850 1.00 11.56 ? 36 PHE A CE2 1 ATOM 127 C CZ . PHE A 1 16 ? 14.543 -2.028 -5.982 1.00 12.95 ? 36 PHE A CZ 1 ATOM 128 N N . VAL A 1 17 ? 15.842 4.221 -2.210 1.00 10.93 ? 37 VAL A N 1 ATOM 129 C CA . VAL A 1 17 ? 16.066 5.656 -2.030 1.00 11.10 ? 37 VAL A CA 1 ATOM 130 C C . VAL A 1 17 ? 17.546 5.984 -2.203 1.00 13.34 ? 37 VAL A C 1 ATOM 131 O O . VAL A 1 17 ? 18.437 5.176 -1.873 1.00 13.43 ? 37 VAL A O 1 ATOM 132 C CB . VAL A 1 17 ? 15.595 6.197 -0.641 1.00 11.27 ? 37 VAL A CB 1 ATOM 133 C CG1 . VAL A 1 17 ? 14.052 6.163 -0.562 1.00 11.66 ? 37 VAL A CG1 1 ATOM 134 C CG2 . VAL A 1 17 ? 16.227 5.458 0.545 1.00 11.27 ? 37 VAL A CG2 1 ATOM 135 N N . ALA A 1 18 ? 17.790 7.180 -2.717 1.00 14.17 ? 38 ALA A N 1 ATOM 136 C CA . ALA A 1 18 ? 19.164 7.754 -2.795 1.00 15.07 ? 38 ALA A CA 1 ATOM 137 C C . ALA A 1 18 ? 19.729 7.946 -1.424 1.00 15.30 ? 38 ALA A C 1 ATOM 138 O O . ALA A 1 18 ? 18.991 8.156 -0.435 1.00 15.31 ? 38 ALA A O 1 ATOM 139 C CB . ALA A 1 18 ? 19.115 9.078 -3.527 1.00 15.51 ? 38 ALA A CB 1 ATOM 140 N N . SER A 1 19 ? 21.055 7.924 -1.316 1.00 15.65 ? 39 SER A N 1 ATOM 141 C CA . SER A 1 19 ? 21.718 8.163 -0.022 1.00 14.66 ? 39 SER A CA 1 ATOM 142 C C . SER A 1 19 ? 21.359 9.455 0.609 1.00 14.96 ? 39 SER A C 1 ATOM 143 O O . SER A 1 19 ? 21.162 9.523 1.843 1.00 14.67 ? 39 SER A O 1 ATOM 144 C CB A SER A 1 19 ? 23.259 8.016 -0.107 0.50 17.24 ? 39 SER A CB 1 ATOM 145 C CB B SER A 1 19 ? 23.239 8.012 -0.175 0.50 15.50 ? 39 SER A CB 1 ATOM 146 O OG A SER A 1 19 ? 23.766 8.651 -1.241 0.50 18.30 ? 39 SER A OG 1 ATOM 147 O OG B SER A 1 19 ? 23.517 6.738 -0.737 0.50 13.25 ? 39 SER A OG 1 ATOM 148 N N . SER A 1 20 ? 21.186 10.504 -0.203 1.00 16.11 ? 40 SER A N 1 ATOM 149 C CA . SER A 1 20 ? 20.794 11.806 0.353 1.00 17.04 ? 40 SER A CA 1 ATOM 150 C C . SER A 1 20 ? 19.321 11.789 0.865 1.00 16.03 ? 40 SER A C 1 ATOM 151 O O . SER A 1 20 ? 18.944 12.524 1.794 1.00 16.58 ? 40 SER A O 1 ATOM 152 C CB . SER A 1 20 ? 20.970 12.928 -0.668 1.00 18.25 ? 40 SER A CB 1 ATOM 153 O OG . SER A 1 20 ? 20.344 12.611 -1.902 1.00 22.71 ? 40 SER A OG 1 ATOM 154 N N . THR A 1 21 ? 18.491 10.982 0.232 1.00 14.05 ? 41 THR A N 1 ATOM 155 C CA . THR A 1 21 ? 17.117 10.796 0.681 1.00 14.52 ? 41 THR A CA 1 ATOM 156 C C . THR A 1 21 ? 17.076 10.026 2.036 1.00 13.67 ? 41 THR A C 1 ATOM 157 O O . THR A 1 21 ? 16.307 10.367 2.958 1.00 13.10 ? 41 THR A O 1 ATOM 158 C CB . THR A 1 21 ? 16.299 10.086 -0.389 1.00 12.85 ? 41 THR A CB 1 ATOM 159 O OG1 . THR A 1 21 ? 16.363 10.829 -1.610 1.00 11.60 ? 41 THR A OG1 1 ATOM 160 C CG2 . THR A 1 21 ? 14.822 9.939 0.027 1.00 12.18 ? 41 THR A CG2 1 ATOM 161 N N . GLU A 1 22 ? 17.915 9.000 2.132 1.00 15.08 ? 42 GLU A N 1 ATOM 162 C CA . GLU A 1 22 ? 18.073 8.274 3.351 1.00 15.84 ? 42 GLU A CA 1 ATOM 163 C C . GLU A 1 22 ? 18.414 9.252 4.472 1.00 16.33 ? 42 GLU A C 1 ATOM 164 O O . GLU A 1 22 ? 17.784 9.232 5.544 1.00 14.99 ? 42 GLU A O 1 ATOM 165 C CB A GLU A 1 22 ? 19.134 7.178 3.204 0.50 17.66 ? 42 GLU A CB 1 ATOM 166 C CB B GLU A 1 22 ? 19.123 7.179 3.202 0.50 16.75 ? 42 GLU A CB 1 ATOM 167 C CG A GLU A 1 22 ? 19.479 6.488 4.510 0.50 18.71 ? 42 GLU A CG 1 ATOM 168 C CG B GLU A 1 22 ? 19.447 6.475 4.500 0.50 16.98 ? 42 GLU A CG 1 ATOM 169 C CD A GLU A 1 22 ? 20.616 5.494 4.412 0.50 20.55 ? 42 GLU A CD 1 ATOM 170 C CD B GLU A 1 22 ? 20.437 5.364 4.327 0.50 17.83 ? 42 GLU A CD 1 ATOM 171 O OE1 A GLU A 1 22 ? 21.426 5.573 3.447 0.50 19.20 ? 42 GLU A OE1 1 ATOM 172 O OE1 B GLU A 1 22 ? 21.352 5.303 5.199 0.50 17.85 ? 42 GLU A OE1 1 ATOM 173 O OE2 A GLU A 1 22 ? 20.704 4.673 5.361 0.50 21.36 ? 42 GLU A OE2 1 ATOM 174 O OE2 B GLU A 1 22 ? 20.279 4.601 3.349 0.50 15.26 ? 42 GLU A OE2 1 ATOM 175 N N . SER A 1 23 ? 19.430 10.095 4.249 1.00 17.22 ? 43 SER A N 1 ATOM 176 C CA . SER A 1 23 ? 19.773 11.121 5.264 1.00 17.83 ? 43 SER A CA 1 ATOM 177 C C . SER A 1 23 ? 18.644 11.981 5.697 1.00 16.56 ? 43 SER A C 1 ATOM 178 O O . SER A 1 23 ? 18.466 12.201 6.884 1.00 15.18 ? 43 SER A O 1 ATOM 179 C CB . SER A 1 23 ? 20.864 12.089 4.753 1.00 19.68 ? 43 SER A CB 1 ATOM 180 O OG . SER A 1 23 ? 22.040 11.362 4.588 1.00 19.95 ? 43 SER A OG 1 ATOM 181 N N . PHE A 1 24 ? 17.981 12.572 4.705 1.00 17.65 ? 44 PHE A N 1 ATOM 182 C CA . PHE A 1 24 ? 16.854 13.458 4.916 1.00 16.81 ? 44 PHE A CA 1 ATOM 183 C C . PHE A 1 24 ? 15.845 12.786 5.857 1.00 16.74 ? 44 PHE A C 1 ATOM 184 O O . PHE A 1 24 ? 15.374 13.374 6.849 1.00 15.29 ? 44 PHE A O 1 ATOM 185 C CB . PHE A 1 24 ? 16.240 13.765 3.559 1.00 19.12 ? 44 PHE A CB 1 ATOM 186 C CG . PHE A 1 24 ? 14.964 14.592 3.605 1.00 18.20 ? 44 PHE A CG 1 ATOM 187 C CD1 . PHE A 1 24 ? 15.045 15.979 3.539 1.00 21.35 ? 44 PHE A CD1 1 ATOM 188 C CD2 . PHE A 1 24 ? 13.731 13.998 3.539 1.00 19.70 ? 44 PHE A CD2 1 ATOM 189 C CE1 . PHE A 1 24 ? 13.883 16.787 3.498 1.00 22.08 ? 44 PHE A CE1 1 ATOM 190 C CE2 . PHE A 1 24 ? 12.561 14.771 3.530 1.00 22.44 ? 44 PHE A CE2 1 ATOM 191 C CZ . PHE A 1 24 ? 12.637 16.186 3.508 1.00 21.95 ? 44 PHE A CZ 1 ATOM 192 N N . CYS A 1 25 ? 15.491 11.554 5.511 1.00 15.08 ? 45 CYS A N 1 ATOM 193 C CA . CYS A 1 25 ? 14.478 10.824 6.267 1.00 14.55 ? 45 CYS A CA 1 ATOM 194 C C . CYS A 1 25 ? 14.933 10.476 7.689 1.00 13.91 ? 45 CYS A C 1 ATOM 195 O O . CYS A 1 25 ? 14.188 10.635 8.630 1.00 13.37 ? 45 CYS A O 1 ATOM 196 C CB . CYS A 1 25 ? 14.096 9.515 5.538 1.00 14.68 ? 45 CYS A CB 1 ATOM 197 S SG . CYS A 1 25 ? 13.137 9.853 4.008 1.00 15.31 ? 45 CYS A SG 1 ATOM 198 N N . GLN A 1 26 ? 16.138 9.961 7.808 1.00 13.40 ? 46 GLN A N 1 ATOM 199 C CA . GLN A 1 26 ? 16.719 9.628 9.099 1.00 14.81 ? 46 GLN A CA 1 ATOM 200 C C . GLN A 1 26 ? 16.740 10.831 10.038 1.00 15.32 ? 46 GLN A C 1 ATOM 201 O O . GLN A 1 26 ? 16.547 10.700 11.266 1.00 16.64 ? 46 GLN A O 1 ATOM 202 C CB . GLN A 1 26 ? 18.119 9.061 8.932 1.00 14.77 ? 46 GLN A CB 1 ATOM 203 C CG . GLN A 1 26 ? 18.083 7.652 8.349 1.00 15.92 ? 46 GLN A CG 1 ATOM 204 C CD . GLN A 1 26 ? 19.428 7.048 8.073 1.00 18.28 ? 46 GLN A CD 1 ATOM 205 O OE1 . GLN A 1 26 ? 20.423 7.736 8.080 1.00 17.26 ? 46 GLN A OE1 1 ATOM 206 N NE2 . GLN A 1 26 ? 19.457 5.722 7.838 1.00 18.39 ? 46 GLN A NE2 1 ATOM 207 N N . ASN A 1 27 ? 17.062 11.979 9.464 1.00 15.92 ? 47 ASN A N 1 ATOM 208 C CA . ASN A 1 27 ? 17.134 13.204 10.215 1.00 17.72 ? 47 ASN A CA 1 ATOM 209 C C . ASN A 1 27 ? 15.745 13.552 10.773 1.00 19.53 ? 47 ASN A C 1 ATOM 210 O O . ASN A 1 27 ? 15.603 13.898 11.931 1.00 19.63 ? 47 ASN A O 1 ATOM 211 C CB A ASN A 1 27 ? 17.628 14.324 9.338 0.70 20.07 ? 47 ASN A CB 1 ATOM 212 C CB B ASN A 1 27 ? 17.632 14.379 9.312 0.30 17.74 ? 47 ASN A CB 1 ATOM 213 C CG A ASN A 1 27 ? 17.838 15.608 10.099 0.70 22.14 ? 47 ASN A CG 1 ATOM 214 C CG B ASN A 1 27 ? 19.157 14.540 9.266 0.30 17.53 ? 47 ASN A CG 1 ATOM 215 O OD1 A ASN A 1 27 ? 18.204 15.610 11.277 0.70 26.59 ? 47 ASN A OD1 1 ATOM 216 O OD1 B ASN A 1 27 ? 19.904 14.072 10.127 0.30 17.33 ? 47 ASN A OD1 1 ATOM 217 N ND2 A ASN A 1 27 ? 17.585 16.713 9.436 0.70 24.14 ? 47 ASN A ND2 1 ATOM 218 N ND2 B ASN A 1 27 ? 19.614 15.249 8.240 0.30 18.00 ? 47 ASN A ND2 1 ATOM 219 N N . ILE A 1 28 ? 14.713 13.523 9.909 1.00 18.17 ? 48 ILE A N 1 ATOM 220 C CA . ILE A 1 28 ? 13.361 13.782 10.362 1.00 17.23 ? 48 ILE A CA 1 ATOM 221 C C . ILE A 1 28 ? 12.951 12.781 11.443 1.00 17.64 ? 48 ILE A C 1 ATOM 222 O O . ILE A 1 28 ? 12.341 13.140 12.461 1.00 18.97 ? 48 ILE A O 1 ATOM 223 C CB . ILE A 1 28 ? 12.373 13.815 9.166 1.00 18.11 ? 48 ILE A CB 1 ATOM 224 C CG1 . ILE A 1 28 ? 12.601 15.124 8.391 1.00 19.07 ? 48 ILE A CG1 1 ATOM 225 C CG2 . ILE A 1 28 ? 10.931 13.777 9.612 1.00 17.80 ? 48 ILE A CG2 1 ATOM 226 C CD1 . ILE A 1 28 ? 11.944 15.196 7.061 1.00 20.47 ? 48 ILE A CD1 1 ATOM 227 N N . LEU A 1 29 ? 13.217 11.516 11.193 1.00 15.76 ? 49 LEU A N 1 ATOM 228 C CA . LEU A 1 29 ? 12.747 10.447 12.070 1.00 17.46 ? 49 LEU A CA 1 ATOM 229 C C . LEU A 1 29 ? 13.581 10.293 13.375 1.00 18.98 ? 49 LEU A C 1 ATOM 230 O O . LEU A 1 29 ? 13.134 9.595 14.287 1.00 17.81 ? 49 LEU A O 1 ATOM 231 C CB . LEU A 1 29 ? 12.767 9.107 11.288 1.00 18.03 ? 49 LEU A CB 1 ATOM 232 C CG . LEU A 1 29 ? 11.767 9.041 10.146 1.00 17.46 ? 49 LEU A CG 1 ATOM 233 C CD1 . LEU A 1 29 ? 11.990 7.751 9.394 1.00 19.16 ? 49 LEU A CD1 1 ATOM 234 C CD2 . LEU A 1 29 ? 10.328 9.121 10.630 1.00 16.90 ? 49 LEU A CD2 1 ATOM 235 N N . GLY A 1 30 ? 14.782 10.885 13.428 1.00 19.44 ? 50 GLY A N 1 ATOM 236 C CA . GLY A 1 30 ? 15.709 10.679 14.545 1.00 20.47 ? 50 GLY A CA 1 ATOM 237 C C . GLY A 1 30 ? 16.117 9.232 14.735 1.00 21.11 ? 50 GLY A C 1 ATOM 238 O O . GLY A 1 30 ? 16.164 8.747 15.861 1.00 20.50 ? 50 GLY A O 1 ATOM 239 N N . ASP A 1 31 ? 16.366 8.531 13.631 1.00 19.19 ? 51 ASP A N 1 ATOM 240 C CA . ASP A 1 31 ? 16.601 7.108 13.623 1.00 18.55 ? 51 ASP A CA 1 ATOM 241 C C . ASP A 1 31 ? 17.463 6.801 12.412 1.00 19.12 ? 51 ASP A C 1 ATOM 242 O O . ASP A 1 31 ? 17.008 7.009 11.255 1.00 17.95 ? 51 ASP A O 1 ATOM 243 C CB . ASP A 1 31 ? 15.221 6.393 13.533 1.00 18.87 ? 51 ASP A CB 1 ATOM 244 C CG . ASP A 1 31 ? 15.310 4.873 13.440 1.00 19.11 ? 51 ASP A CG 1 ATOM 245 O OD1 . ASP A 1 31 ? 16.400 4.292 13.387 1.00 19.27 ? 51 ASP A OD1 1 ATOM 246 O OD2 . ASP A 1 31 ? 14.233 4.218 13.507 1.00 19.88 ? 51 ASP A OD2 1 ATOM 247 N N . ASP A 1 32 ? 18.707 6.347 12.640 1.00 17.74 ? 52 ASP A N 1 ATOM 248 C CA . ASP A 1 32 ? 19.605 5.899 11.564 1.00 17.74 ? 52 ASP A CA 1 ATOM 249 C C . ASP A 1 32 ? 19.834 4.373 11.549 1.00 16.54 ? 52 ASP A C 1 ATOM 250 O O . ASP A 1 32 ? 20.819 3.889 10.963 1.00 17.65 ? 52 ASP A O 1 ATOM 251 C CB . ASP A 1 32 ? 20.952 6.674 11.573 1.00 19.51 ? 52 ASP A CB 1 ATOM 252 C CG . ASP A 1 32 ? 21.911 6.213 12.676 1.00 21.34 ? 52 ASP A CG 1 ATOM 253 O OD1 . ASP A 1 32 ? 21.472 5.548 13.644 1.00 20.62 ? 52 ASP A OD1 1 ATOM 254 O OD2 . ASP A 1 32 ? 23.152 6.466 12.531 1.00 24.00 ? 52 ASP A OD2 1 ATOM 255 N N . SER A 1 33 ? 18.947 3.622 12.195 1.00 16.93 ? 53 SER A N 1 ATOM 256 C CA . SER A 1 33 ? 19.015 2.185 12.146 1.00 16.75 ? 53 SER A CA 1 ATOM 257 C C . SER A 1 33 ? 18.768 1.704 10.725 1.00 17.08 ? 53 SER A C 1 ATOM 258 O O . SER A 1 33 ? 18.304 2.468 9.847 1.00 16.34 ? 53 SER A O 1 ATOM 259 C CB . SER A 1 33 ? 18.012 1.502 13.089 1.00 16.52 ? 53 SER A CB 1 ATOM 260 O OG . SER A 1 33 ? 16.663 1.707 12.700 1.00 16.23 ? 53 SER A OG 1 ATOM 261 N N . THR A 1 34 ? 19.063 0.435 10.527 1.00 16.02 ? 54 THR A N 1 ATOM 262 C CA . THR A 1 34 ? 18.788 -0.220 9.251 1.00 17.63 ? 54 THR A CA 1 ATOM 263 C C . THR A 1 34 ? 17.288 -0.545 9.058 1.00 15.19 ? 54 THR A C 1 ATOM 264 O O . THR A 1 34 ? 16.920 -1.160 8.056 1.00 14.12 ? 54 THR A O 1 ATOM 265 C CB . THR A 1 34 ? 19.585 -1.527 9.151 1.00 19.59 ? 54 THR A CB 1 ATOM 266 O OG1 . THR A 1 34 ? 19.214 -2.393 10.235 1.00 20.30 ? 54 THR A OG1 1 ATOM 267 C CG2 . THR A 1 34 ? 21.114 -1.184 9.221 1.00 22.97 ? 54 THR A CG2 1 ATOM 268 N N . SER A 1 35 ? 16.464 -0.163 10.038 1.00 14.46 ? 55 SER A N 1 ATOM 269 C CA . SER A 1 35 ? 14.975 -0.282 9.963 1.00 13.50 ? 55 SER A CA 1 ATOM 270 C C . SER A 1 35 ? 14.253 1.087 10.067 1.00 12.67 ? 55 SER A C 1 ATOM 271 O O . SER A 1 35 ? 13.065 1.129 10.384 1.00 12.22 ? 55 SER A O 1 ATOM 272 C CB . SER A 1 35 ? 14.525 -1.184 11.099 1.00 14.68 ? 55 SER A CB 1 ATOM 273 O OG . SER A 1 35 ? 14.971 -2.515 10.855 1.00 17.13 ? 55 SER A OG 1 ATOM 274 N N . TYR A 1 36 ? 14.925 2.184 9.693 1.00 11.04 ? 56 TYR A N 1 ATOM 275 C CA . TYR A 1 36 ? 14.412 3.529 9.935 1.00 11.72 ? 56 TYR A CA 1 ATOM 276 C C . TYR A 1 36 ? 13.023 3.783 9.376 1.00 11.69 ? 56 TYR A C 1 ATOM 277 O O . TYR A 1 36 ? 12.200 4.357 10.083 1.00 12.35 ? 56 TYR A O 1 ATOM 278 C CB . TYR A 1 36 ? 15.433 4.622 9.523 1.00 11.78 ? 56 TYR A CB 1 ATOM 279 C CG . TYR A 1 36 ? 15.673 4.773 8.054 1.00 11.68 ? 56 TYR A CG 1 ATOM 280 C CD1 . TYR A 1 36 ? 16.460 3.870 7.358 1.00 12.01 ? 56 TYR A CD1 1 ATOM 281 C CD2 . TYR A 1 36 ? 15.037 5.803 7.326 1.00 10.72 ? 56 TYR A CD2 1 ATOM 282 C CE1 . TYR A 1 36 ? 16.677 4.005 5.996 1.00 11.84 ? 56 TYR A CE1 1 ATOM 283 C CE2 . TYR A 1 36 ? 15.221 5.931 5.990 1.00 11.28 ? 56 TYR A CE2 1 ATOM 284 C CZ . TYR A 1 36 ? 16.003 5.027 5.308 1.00 12.16 ? 56 TYR A CZ 1 ATOM 285 O OH . TYR A 1 36 ? 16.176 5.199 3.949 1.00 13.50 ? 56 TYR A OH 1 ATOM 286 N N . LEU A 1 37 ? 12.747 3.355 8.141 1.00 10.34 ? 57 LEU A N 1 ATOM 287 C CA . LEU A 1 37 ? 11.374 3.507 7.628 1.00 10.71 ? 57 LEU A CA 1 ATOM 288 C C . LEU A 1 37 ? 10.431 2.412 8.174 1.00 10.78 ? 57 LEU A C 1 ATOM 289 O O . LEU A 1 37 ? 9.269 2.686 8.494 1.00 11.67 ? 57 LEU A O 1 ATOM 290 C CB . LEU A 1 37 ? 11.307 3.508 6.081 1.00 10.15 ? 57 LEU A CB 1 ATOM 291 C CG . LEU A 1 37 ? 12.052 4.612 5.349 1.00 10.51 ? 57 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 37 ? 11.835 4.413 3.885 1.00 10.54 ? 57 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 37 ? 11.571 5.972 5.820 1.00 11.97 ? 57 LEU A CD2 1 ATOM 294 N N . ALA A 1 38 ? 10.918 1.186 8.194 1.00 11.31 ? 58 ALA A N 1 ATOM 295 C CA . ALA A 1 38 ? 10.112 0.032 8.665 1.00 11.80 ? 58 ALA A CA 1 ATOM 296 C C . ALA A 1 38 ? 9.588 0.236 10.116 1.00 11.79 ? 58 ALA A C 1 ATOM 297 O O . ALA A 1 38 ? 8.412 -0.090 10.441 1.00 10.50 ? 58 ALA A O 1 ATOM 298 C CB . ALA A 1 38 ? 10.872 -1.244 8.523 1.00 12.28 ? 58 ALA A CB 1 ATOM 299 N N . ASN A 1 39 ? 10.404 0.892 10.942 1.00 12.10 ? 59 ASN A N 1 ATOM 300 C CA . ASN A 1 39 ? 10.077 1.162 12.329 1.00 11.52 ? 59 ASN A CA 1 ATOM 301 C C . ASN A 1 39 ? 8.857 2.072 12.515 1.00 11.98 ? 59 ASN A C 1 ATOM 302 O O . ASN A 1 39 ? 8.238 2.037 13.565 1.00 13.12 ? 59 ASN A O 1 ATOM 303 C CB . ASN A 1 39 ? 11.285 1.787 13.051 1.00 12.28 ? 59 ASN A CB 1 ATOM 304 C CG . ASN A 1 39 ? 12.393 0.779 13.352 1.00 12.54 ? 59 ASN A CG 1 ATOM 305 O OD1 . ASN A 1 39 ? 12.185 -0.440 13.362 1.00 13.74 ? 59 ASN A OD1 1 ATOM 306 N ND2 . ASN A 1 39 ? 13.571 1.301 13.609 1.00 13.65 ? 59 ASN A ND2 1 ATOM 307 N N . VAL A 1 40 ? 8.543 2.890 11.511 1.00 11.06 ? 60 VAL A N 1 ATOM 308 C CA . VAL A 1 40 ? 7.425 3.826 11.542 1.00 11.63 ? 60 VAL A CA 1 ATOM 309 C C . VAL A 1 40 ? 6.275 3.478 10.625 1.00 10.87 ? 60 VAL A C 1 ATOM 310 O O . VAL A 1 40 ? 5.293 4.211 10.551 1.00 11.74 ? 60 VAL A O 1 ATOM 311 C CB . VAL A 1 40 ? 7.865 5.307 11.305 1.00 12.56 ? 60 VAL A CB 1 ATOM 312 C CG1 . VAL A 1 40 ? 8.839 5.742 12.378 1.00 14.15 ? 60 VAL A CG1 1 ATOM 313 C CG2 . VAL A 1 40 ? 8.459 5.521 9.928 1.00 13.53 ? 60 VAL A CG2 1 ATOM 314 N N . ALA A 1 41 ? 6.367 2.348 9.952 1.00 10.50 ? 61 ALA A N 1 ATOM 315 C CA . ALA A 1 41 ? 5.452 2.054 8.839 1.00 10.46 ? 61 ALA A CA 1 ATOM 316 C C . ALA A 1 41 ? 4.066 1.673 9.295 1.00 11.38 ? 61 ALA A C 1 ATOM 317 O O . ALA A 1 41 ? 3.108 1.684 8.472 1.00 11.28 ? 61 ALA A O 1 ATOM 318 C CB . ALA A 1 41 ? 5.993 0.976 7.930 1.00 9.16 ? 61 ALA A CB 1 ATOM 319 N N . THR A 1 42 ? 3.943 1.272 10.559 1.00 10.88 ? 62 THR A N 1 ATOM 320 C CA . THR A 1 42 ? 2.646 0.862 11.125 1.00 10.99 ? 62 THR A CA 1 ATOM 321 C C . THR A 1 42 ? 2.005 1.906 12.047 1.00 10.45 ? 62 THR A C 1 ATOM 322 O O . THR A 1 42 ? 0.828 1.746 12.441 1.00 10.25 ? 62 THR A O 1 ATOM 323 C CB . THR A 1 42 ? 2.798 -0.428 11.966 1.00 12.14 ? 62 THR A CB 1 ATOM 324 O OG1 . THR A 1 42 ? 3.626 -0.155 13.100 1.00 13.27 ? 62 THR A OG1 1 ATOM 325 C CG2 . THR A 1 42 ? 3.440 -1.503 11.166 1.00 13.70 ? 62 THR A CG2 1 ATOM 326 N N . TRP A 1 43 ? 2.756 2.966 12.352 1.00 8.98 ? 63 TRP A N 1 ATOM 327 C CA . TRP A 1 43 ? 2.287 3.960 13.281 1.00 9.54 ? 63 TRP A CA 1 ATOM 328 C C . TRP A 1 43 ? 0.888 4.492 12.979 1.00 8.94 ? 63 TRP A C 1 ATOM 329 O O . TRP A 1 43 ? 0.081 4.598 13.877 1.00 9.70 ? 63 TRP A O 1 ATOM 330 C CB . TRP A 1 43 ? 3.267 5.128 13.345 1.00 9.58 ? 63 TRP A CB 1 ATOM 331 C CG . TRP A 1 43 ? 2.719 6.331 14.138 1.00 11.20 ? 63 TRP A CG 1 ATOM 332 C CD1 . TRP A 1 43 ? 2.636 6.442 15.483 1.00 12.21 ? 63 TRP A CD1 1 ATOM 333 C CD2 . TRP A 1 43 ? 2.072 7.478 13.599 1.00 11.59 ? 63 TRP A CD2 1 ATOM 334 N NE1 . TRP A 1 43 ? 2.017 7.632 15.822 1.00 12.92 ? 63 TRP A NE1 1 ATOM 335 C CE2 . TRP A 1 43 ? 1.675 8.288 14.677 1.00 12.78 ? 63 TRP A CE2 1 ATOM 336 C CE3 . TRP A 1 43 ? 1.821 7.906 12.337 1.00 12.00 ? 63 TRP A CE3 1 ATOM 337 C CZ2 . TRP A 1 43 ? 1.081 9.535 14.497 1.00 12.90 ? 63 TRP A CZ2 1 ATOM 338 C CZ3 . TRP A 1 43 ? 1.190 9.121 12.155 1.00 13.54 ? 63 TRP A CZ3 1 ATOM 339 C CH2 . TRP A 1 43 ? 0.836 9.927 13.232 1.00 12.93 ? 63 TRP A CH2 1 ATOM 340 N N . ALA A 1 44 ? 0.632 4.905 11.741 1.00 9.06 ? 64 ALA A N 1 ATOM 341 C CA . ALA A 1 44 ? -0.658 5.449 11.380 1.00 9.16 ? 64 ALA A CA 1 ATOM 342 C C . ALA A 1 44 ? -1.813 4.541 11.751 1.00 9.51 ? 64 ALA A C 1 ATOM 343 O O . ALA A 1 44 ? -2.908 5.032 12.021 1.00 8.97 ? 64 ALA A O 1 ATOM 344 C CB . ALA A 1 44 ? -0.712 5.800 9.879 1.00 9.01 ? 64 ALA A CB 1 ATOM 345 N N . ASP A 1 45 ? -1.601 3.223 11.709 1.00 10.15 ? 65 ASP A N 1 ATOM 346 C CA . ASP A 1 45 ? -2.612 2.238 12.108 1.00 11.01 ? 65 ASP A CA 1 ATOM 347 C C . ASP A 1 45 ? -2.907 2.266 13.588 1.00 11.63 ? 65 ASP A C 1 ATOM 348 O O . ASP A 1 45 ? -4.049 2.046 13.969 1.00 14.73 ? 65 ASP A O 1 ATOM 349 C CB . ASP A 1 45 ? -2.340 0.822 11.648 1.00 10.80 ? 65 ASP A CB 1 ATOM 350 C CG . ASP A 1 45 ? -2.816 0.553 10.170 1.00 11.87 ? 65 ASP A CG 1 ATOM 351 O OD1 . ASP A 1 45 ? -3.546 1.413 9.583 1.00 10.21 ? 65 ASP A OD1 1 ATOM 352 O OD2 . ASP A 1 45 ? -2.431 -0.559 9.608 1.00 11.96 ? 65 ASP A OD2 1 ATOM 353 N N . THR A 1 46 ? -1.938 2.540 14.428 1.00 10.37 ? 66 THR A N 1 ATOM 354 C CA . THR A 1 46 ? -2.233 2.806 15.871 1.00 11.16 ? 66 THR A CA 1 ATOM 355 C C . THR A 1 46 ? -2.968 4.109 16.054 1.00 10.74 ? 66 THR A C 1 ATOM 356 O O . THR A 1 46 ? -3.973 4.181 16.765 1.00 10.83 ? 66 THR A O 1 ATOM 357 C CB . THR A 1 46 ? -0.934 2.872 16.669 1.00 12.53 ? 66 THR A CB 1 ATOM 358 O OG1 . THR A 1 46 ? -0.368 1.571 16.704 1.00 12.71 ? 66 THR A OG1 1 ATOM 359 C CG2 . THR A 1 46 ? -1.145 3.392 18.117 1.00 13.25 ? 66 THR A CG2 1 ATOM 360 N N . TYR A 1 47 ? -2.465 5.144 15.401 1.00 10.43 ? 67 TYR A N 1 ATOM 361 C CA . TYR A 1 47 ? -2.943 6.457 15.644 1.00 10.86 ? 67 TYR A CA 1 ATOM 362 C C . TYR A 1 47 ? -4.397 6.620 15.321 1.00 10.85 ? 67 TYR A C 1 ATOM 363 O O . TYR A 1 47 ? -5.088 7.333 16.086 1.00 11.82 ? 67 TYR A O 1 ATOM 364 C CB . TYR A 1 47 ? -2.156 7.439 14.759 1.00 11.22 ? 67 TYR A CB 1 ATOM 365 C CG . TYR A 1 47 ? -2.348 8.879 14.999 1.00 11.57 ? 67 TYR A CG 1 ATOM 366 C CD1 . TYR A 1 47 ? -2.122 9.441 16.263 1.00 13.18 ? 67 TYR A CD1 1 ATOM 367 C CD2 . TYR A 1 47 ? -2.565 9.755 13.915 1.00 12.10 ? 67 TYR A CD2 1 ATOM 368 C CE1 . TYR A 1 47 ? -2.233 10.833 16.443 1.00 13.49 ? 67 TYR A CE1 1 ATOM 369 C CE2 . TYR A 1 47 ? -2.622 11.118 14.085 1.00 13.30 ? 67 TYR A CE2 1 ATOM 370 C CZ . TYR A 1 47 ? -2.491 11.661 15.333 1.00 13.98 ? 67 TYR A CZ 1 ATOM 371 O OH . TYR A 1 47 ? -2.542 13.048 15.445 1.00 15.71 ? 67 TYR A OH 1 ATOM 372 N N . LYS A 1 48 ? -4.887 5.970 14.256 1.00 10.12 ? 68 LYS A N 1 ATOM 373 C CA . LYS A 1 48 ? -6.260 6.110 13.864 1.00 10.58 ? 68 LYS A CA 1 ATOM 374 C C . LYS A 1 48 ? -7.256 5.547 14.891 1.00 11.23 ? 68 LYS A C 1 ATOM 375 O O . LYS A 1 48 ? -8.477 5.853 14.777 1.00 9.99 ? 68 LYS A O 1 ATOM 376 C CB . LYS A 1 48 ? -6.522 5.487 12.486 1.00 11.58 ? 68 LYS A CB 1 ATOM 377 C CG . LYS A 1 48 ? -6.604 3.998 12.493 1.00 12.42 ? 68 LYS A CG 1 ATOM 378 C CD . LYS A 1 48 ? -6.609 3.448 11.095 1.00 14.27 ? 68 LYS A CD 1 ATOM 379 C CE . LYS A 1 48 ? -6.856 1.972 11.030 1.00 14.90 ? 68 LYS A CE 1 ATOM 380 N NZ . LYS A 1 48 ? -6.836 1.546 9.614 1.00 14.74 ? 68 LYS A NZ 1 ATOM 381 N N . TYR A 1 49 ? -6.795 4.735 15.850 1.00 10.78 ? 69 TYR A N 1 ATOM 382 C CA . TYR A 1 49 ? -7.698 4.155 16.875 1.00 11.61 ? 69 TYR A CA 1 ATOM 383 C C . TYR A 1 49 ? -7.643 4.944 18.176 1.00 12.78 ? 69 TYR A C 1 ATOM 384 O O . TYR A 1 49 ? -8.208 4.532 19.173 1.00 14.30 ? 69 TYR A O 1 ATOM 385 C CB . TYR A 1 49 ? -7.402 2.681 17.132 1.00 12.21 ? 69 TYR A CB 1 ATOM 386 C CG . TYR A 1 49 ? -7.667 1.825 15.938 1.00 13.04 ? 69 TYR A CG 1 ATOM 387 C CD1 . TYR A 1 49 ? -8.953 1.655 15.472 1.00 14.82 ? 69 TYR A CD1 1 ATOM 388 C CD2 . TYR A 1 49 ? -6.646 1.176 15.277 1.00 14.93 ? 69 TYR A CD2 1 ATOM 389 C CE1 . TYR A 1 49 ? -9.217 0.901 14.346 1.00 16.57 ? 69 TYR A CE1 1 ATOM 390 C CE2 . TYR A 1 49 ? -6.889 0.370 14.176 1.00 15.36 ? 69 TYR A CE2 1 ATOM 391 C CZ . TYR A 1 49 ? -8.177 0.238 13.702 1.00 17.10 ? 69 TYR A CZ 1 ATOM 392 O OH . TYR A 1 49 ? -8.520 -0.539 12.594 1.00 18.60 ? 69 TYR A OH 1 ATOM 393 N N . THR A 1 50 ? -6.917 6.040 18.174 1.00 11.46 ? 70 THR A N 1 ATOM 394 C CA . THR A 1 50 ? -6.846 6.928 19.343 1.00 11.73 ? 70 THR A CA 1 ATOM 395 C C . THR A 1 50 ? -7.763 8.098 19.179 1.00 12.13 ? 70 THR A C 1 ATOM 396 O O . THR A 1 50 ? -8.092 8.469 18.060 1.00 11.17 ? 70 THR A O 1 ATOM 397 C CB . THR A 1 50 ? -5.423 7.437 19.587 1.00 11.44 ? 70 THR A CB 1 ATOM 398 O OG1 . THR A 1 50 ? -4.989 8.375 18.577 1.00 11.56 ? 70 THR A OG1 1 ATOM 399 C CG2 . THR A 1 50 ? -4.449 6.296 19.660 1.00 12.20 ? 70 THR A CG2 1 ATOM 400 N N . ASP A 1 51 ? -8.149 8.738 20.279 1.00 12.50 ? 71 ASP A N 1 ATOM 401 C CA . ASP A 1 51 ? -8.914 9.979 20.173 1.00 14.20 ? 71 ASP A CA 1 ATOM 402 C C . ASP A 1 51 ? -8.215 11.070 19.370 1.00 13.04 ? 71 ASP A C 1 ATOM 403 O O . ASP A 1 51 ? -8.834 11.747 18.570 1.00 12.80 ? 71 ASP A O 1 ATOM 404 C CB . ASP A 1 51 ? -9.272 10.596 21.544 1.00 15.63 ? 71 ASP A CB 1 ATOM 405 C CG . ASP A 1 51 ? -10.193 9.774 22.359 1.00 16.17 ? 71 ASP A CG 1 ATOM 406 O OD1 . ASP A 1 51 ? -10.850 8.768 21.968 1.00 16.20 ? 71 ASP A OD1 1 ATOM 407 O OD2 . ASP A 1 51 ? -10.318 10.255 23.519 1.00 21.46 ? 71 ASP A OD2 1 ATOM 408 N N . ALA A 1 52 ? -6.938 11.243 19.589 1.00 12.39 ? 72 ALA A N 1 ATOM 409 C CA . ALA A 1 52 ? -6.206 12.290 18.942 1.00 12.65 ? 72 ALA A CA 1 ATOM 410 C C . ALA A 1 52 ? -6.093 12.044 17.423 1.00 11.91 ? 72 ALA A C 1 ATOM 411 O O . ALA A 1 52 ? -6.068 12.996 16.665 1.00 14.00 ? 72 ALA A O 1 ATOM 412 C CB . ALA A 1 52 ? -4.803 12.378 19.543 1.00 12.54 ? 72 ALA A CB 1 ATOM 413 N N . GLY A 1 53 ? -6.019 10.779 17.023 1.00 11.27 ? 73 GLY A N 1 ATOM 414 C CA . GLY A 1 53 ? -5.781 10.403 15.635 1.00 10.91 ? 73 GLY A CA 1 ATOM 415 C C . GLY A 1 53 ? -7.045 9.932 14.890 1.00 10.62 ? 73 GLY A C 1 ATOM 416 O O . GLY A 1 53 ? -6.947 9.577 13.724 1.00 10.85 ? 73 GLY A O 1 ATOM 417 N N . GLU A 1 54 ? -8.203 9.962 15.515 1.00 11.26 ? 74 GLU A N 1 ATOM 418 C CA . GLU A 1 54 ? -9.465 9.496 14.913 1.00 12.88 ? 74 GLU A CA 1 ATOM 419 C C . GLU A 1 54 ? -9.694 10.150 13.516 1.00 11.92 ? 74 GLU A C 1 ATOM 420 O O . GLU A 1 54 ? -10.141 9.466 12.561 1.00 10.85 ? 74 GLU A O 1 ATOM 421 C CB . GLU A 1 54 ? -10.682 9.739 15.832 1.00 16.14 ? 74 GLU A CB 1 ATOM 422 C CG . GLU A 1 54 ? -11.997 9.215 15.277 1.00 18.07 ? 74 GLU A CG 1 ATOM 423 C CD . GLU A 1 54 ? -13.270 9.826 15.876 0.50 18.10 ? 74 GLU A CD 1 ATOM 424 O OE1 . GLU A 1 54 ? -14.358 9.308 15.541 0.50 18.39 ? 74 GLU A OE1 1 ATOM 425 O OE2 . GLU A 1 54 ? -13.210 10.779 16.665 0.50 19.03 ? 74 GLU A OE2 1 ATOM 426 N N . PHE A 1 55 ? -9.367 11.434 13.413 1.00 11.44 ? 75 PHE A N 1 ATOM 427 C CA . PHE A 1 55 ? -9.576 12.190 12.176 1.00 12.11 ? 75 PHE A CA 1 ATOM 428 C C . PHE A 1 55 ? -8.878 11.561 10.964 1.00 10.84 ? 75 PHE A C 1 ATOM 429 O O . PHE A 1 55 ? -9.272 11.850 9.818 1.00 11.43 ? 75 PHE A O 1 ATOM 430 C CB . PHE A 1 55 ? -9.100 13.654 12.325 1.00 13.01 ? 75 PHE A CB 1 ATOM 431 C CG . PHE A 1 55 ? -7.602 13.800 12.307 1.00 13.18 ? 75 PHE A CG 1 ATOM 432 C CD1 . PHE A 1 55 ? -6.850 13.669 13.467 1.00 13.26 ? 75 PHE A CD1 1 ATOM 433 C CD2 . PHE A 1 55 ? -6.939 14.070 11.118 1.00 14.37 ? 75 PHE A CD2 1 ATOM 434 C CE1 . PHE A 1 55 ? -5.483 13.775 13.463 1.00 13.67 ? 75 PHE A CE1 1 ATOM 435 C CE2 . PHE A 1 55 ? -5.530 14.186 11.104 1.00 14.31 ? 75 PHE A CE2 1 ATOM 436 C CZ . PHE A 1 55 ? -4.807 14.030 12.271 1.00 14.43 ? 75 PHE A CZ 1 ATOM 437 N N . SER A 1 56 ? -7.791 10.828 11.211 1.00 10.70 ? 76 SER A N 1 ATOM 438 C CA . SER A 1 56 ? -6.990 10.243 10.168 1.00 10.95 ? 76 SER A CA 1 ATOM 439 C C . SER A 1 56 ? -7.472 8.872 9.679 1.00 11.18 ? 76 SER A C 1 ATOM 440 O O . SER A 1 56 ? -6.915 8.328 8.728 1.00 10.21 ? 76 SER A O 1 ATOM 441 C CB . SER A 1 56 ? -5.532 10.189 10.629 1.00 11.40 ? 76 SER A CB 1 ATOM 442 O OG . SER A 1 56 ? -5.352 9.193 11.637 1.00 10.38 ? 76 SER A OG 1 ATOM 443 N N . LYS A 1 57 ? -8.539 8.348 10.264 1.00 11.82 ? 77 LYS A N 1 ATOM 444 C CA . LYS A 1 57 ? -9.068 7.050 9.815 1.00 13.61 ? 77 LYS A CA 1 ATOM 445 C C . LYS A 1 57 ? -9.389 6.989 8.327 1.00 12.31 ? 77 LYS A C 1 ATOM 446 O O . LYS A 1 57 ? -9.038 6.011 7.661 1.00 11.92 ? 77 LYS A O 1 ATOM 447 C CB A LYS A 1 57 ? -10.339 6.656 10.578 0.50 14.83 ? 77 LYS A CB 1 ATOM 448 C CB B LYS A 1 57 ? -10.267 6.680 10.660 0.50 14.79 ? 77 LYS A CB 1 ATOM 449 C CG A LYS A 1 57 ? -10.116 6.057 11.950 0.50 16.02 ? 77 LYS A CG 1 ATOM 450 C CG B LYS A 1 57 ? -10.794 5.288 10.445 0.50 15.86 ? 77 LYS A CG 1 ATOM 451 C CD A LYS A 1 57 ? -11.438 5.630 12.579 0.50 17.15 ? 77 LYS A CD 1 ATOM 452 C CD B LYS A 1 57 ? -11.742 4.972 11.591 0.50 17.47 ? 77 LYS A CD 1 ATOM 453 C CE A LYS A 1 57 ? -12.090 4.456 11.808 0.50 18.89 ? 77 LYS A CE 1 ATOM 454 C CE B LYS A 1 57 ? -11.003 4.044 12.576 0.50 17.58 ? 77 LYS A CE 1 ATOM 455 N NZ A LYS A 1 57 ? -11.271 3.161 11.746 0.50 18.99 ? 77 LYS A NZ 1 ATOM 456 N NZ B LYS A 1 57 ? -10.713 4.592 13.927 0.50 17.79 ? 77 LYS A NZ 1 ATOM 457 N N . PRO A 1 58 ? -10.039 8.023 7.789 1.00 11.78 ? 78 PRO A N 1 ATOM 458 C CA . PRO A 1 58 ? -10.341 7.992 6.339 1.00 11.36 ? 78 PRO A CA 1 ATOM 459 C C . PRO A 1 58 ? -9.136 8.052 5.426 1.00 10.82 ? 78 PRO A C 1 ATOM 460 O O . PRO A 1 58 ? -9.260 7.758 4.244 1.00 10.83 ? 78 PRO A O 1 ATOM 461 C CB . PRO A 1 58 ? -11.198 9.238 6.133 1.00 11.81 ? 78 PRO A CB 1 ATOM 462 C CG . PRO A 1 58 ? -11.624 9.700 7.489 1.00 12.84 ? 78 PRO A CG 1 ATOM 463 C CD . PRO A 1 58 ? -10.600 9.230 8.437 1.00 11.96 ? 78 PRO A CD 1 ATOM 464 N N . TYR A 1 59 ? -7.964 8.460 5.963 1.00 9.77 ? 79 TYR A N 1 ATOM 465 C CA . TYR A 1 59 ? -6.766 8.676 5.152 1.00 10.01 ? 79 TYR A CA 1 ATOM 466 C C . TYR A 1 59 ? -6.126 7.358 4.655 1.00 9.54 ? 79 TYR A C 1 ATOM 467 O O . TYR A 1 59 ? -5.224 7.413 3.894 1.00 9.34 ? 79 TYR A O 1 ATOM 468 C CB . TYR A 1 59 ? -5.765 9.471 5.877 1.00 10.19 ? 79 TYR A CB 1 ATOM 469 C CG . TYR A 1 59 ? -6.156 10.857 6.318 1.00 10.48 ? 79 TYR A CG 1 ATOM 470 C CD1 . TYR A 1 59 ? -7.367 11.450 5.987 1.00 11.24 ? 79 TYR A CD1 1 ATOM 471 C CD2 . TYR A 1 59 ? -5.283 11.583 7.110 1.00 11.20 ? 79 TYR A CD2 1 ATOM 472 C CE1 . TYR A 1 59 ? -7.701 12.718 6.487 1.00 12.51 ? 79 TYR A CE1 1 ATOM 473 C CE2 . TYR A 1 59 ? -5.617 12.820 7.591 1.00 12.22 ? 79 TYR A CE2 1 ATOM 474 C CZ . TYR A 1 59 ? -6.809 13.410 7.225 1.00 13.04 ? 79 TYR A CZ 1 ATOM 475 O OH . TYR A 1 59 ? -7.127 14.682 7.704 1.00 16.13 ? 79 TYR A OH 1 ATOM 476 N N . HIS A 1 60 ? -6.649 6.208 5.087 1.00 9.07 ? 80 HIS A N 1 ATOM 477 C CA . HIS A 1 60 ? -6.118 4.889 4.701 1.00 10.22 ? 80 HIS A CA 1 ATOM 478 C C . HIS A 1 60 ? -6.655 4.348 3.390 1.00 10.44 ? 80 HIS A C 1 ATOM 479 O O . HIS A 1 60 ? -6.198 3.318 2.932 1.00 8.85 ? 80 HIS A O 1 ATOM 480 C CB . HIS A 1 60 ? -6.259 3.868 5.853 1.00 10.48 ? 80 HIS A CB 1 ATOM 481 C CG . HIS A 1 60 ? -5.521 4.294 7.090 1.00 9.94 ? 80 HIS A CG 1 ATOM 482 N ND1 . HIS A 1 60 ? -4.402 3.630 7.574 1.00 9.78 ? 80 HIS A ND1 1 ATOM 483 C CD2 . HIS A 1 60 ? -5.677 5.377 7.876 1.00 9.66 ? 80 HIS A CD2 1 ATOM 484 C CE1 . HIS A 1 60 ? -3.918 4.279 8.605 1.00 9.28 ? 80 HIS A CE1 1 ATOM 485 N NE2 . HIS A 1 60 ? -4.661 5.347 8.813 1.00 9.43 ? 80 HIS A NE2 1 ATOM 486 N N . PHE A 1 61 ? -7.695 5.000 2.856 1.00 10.44 ? 81 PHE A N 1 ATOM 487 C CA . PHE A 1 61 ? -8.378 4.441 1.732 1.00 12.24 ? 81 PHE A CA 1 ATOM 488 C C . PHE A 1 61 ? -9.080 5.503 0.896 1.00 10.66 ? 81 PHE A C 1 ATOM 489 O O . PHE A 1 61 ? -9.169 6.653 1.254 1.00 10.08 ? 81 PHE A O 1 ATOM 490 C CB . PHE A 1 61 ? -9.359 3.314 2.166 1.00 12.85 ? 81 PHE A CB 1 ATOM 491 C CG . PHE A 1 61 ? -10.373 3.792 3.151 1.00 14.14 ? 81 PHE A CG 1 ATOM 492 C CD1 . PHE A 1 61 ? -11.538 4.427 2.730 1.00 15.53 ? 81 PHE A CD1 1 ATOM 493 C CD2 . PHE A 1 61 ? -10.166 3.606 4.508 1.00 15.22 ? 81 PHE A CD2 1 ATOM 494 C CE1 . PHE A 1 61 ? -12.458 4.910 3.668 1.00 17.63 ? 81 PHE A CE1 1 ATOM 495 C CE2 . PHE A 1 61 ? -11.050 4.140 5.444 1.00 15.20 ? 81 PHE A CE2 1 ATOM 496 C CZ . PHE A 1 61 ? -12.190 4.778 5.033 1.00 17.05 ? 81 PHE A CZ 1 ATOM 497 N N . ILE A 1 62 ? -9.514 5.085 -0.271 1.00 11.57 ? 82 ILE A N 1 ATOM 498 C CA . ILE A 1 62 ? -10.448 5.928 -1.097 1.00 12.15 ? 82 ILE A CA 1 ATOM 499 C C . ILE A 1 62 ? -11.599 4.990 -1.539 1.00 12.43 ? 82 ILE A C 1 ATOM 500 O O . ILE A 1 62 ? -11.357 3.929 -2.158 1.00 13.87 ? 82 ILE A O 1 ATOM 501 C CB . ILE A 1 62 ? -9.775 6.686 -2.241 1.00 12.25 ? 82 ILE A CB 1 ATOM 502 C CG1 . ILE A 1 62 ? -10.854 7.564 -2.987 1.00 13.24 ? 82 ILE A CG1 1 ATOM 503 C CG2 . ILE A 1 62 ? -9.020 5.733 -3.181 1.00 12.52 ? 82 ILE A CG2 1 ATOM 504 C CD1 . ILE A 1 62 ? -10.319 8.639 -3.903 1.00 14.59 ? 82 ILE A CD1 1 ATOM 505 N N . ASP A 1 63 ? -12.816 5.315 -1.158 1.00 13.27 ? 83 ASP A N 1 ATOM 506 C CA . ASP A 1 63 ? -13.917 4.392 -1.333 1.00 12.64 ? 83 ASP A CA 1 ATOM 507 C C . ASP A 1 63 ? -14.454 4.558 -2.757 1.00 13.73 ? 83 ASP A C 1 ATOM 508 O O . ASP A 1 63 ? -15.485 5.230 -3.003 1.00 12.75 ? 83 ASP A O 1 ATOM 509 C CB . ASP A 1 63 ? -14.993 4.689 -0.327 1.00 14.26 ? 83 ASP A CB 1 ATOM 510 C CG . ASP A 1 63 ? -14.866 3.896 0.930 1.00 15.10 ? 83 ASP A CG 1 ATOM 511 O OD1 . ASP A 1 63 ? -14.191 2.835 0.962 1.00 14.98 ? 83 ASP A OD1 1 ATOM 512 O OD2 . ASP A 1 63 ? -15.529 4.321 1.908 1.00 16.22 ? 83 ASP A OD2 1 ATOM 513 N N . ALA A 1 64 ? -13.769 3.923 -3.712 1.00 12.32 ? 84 ALA A N 1 ATOM 514 C CA . ALA A 1 64 ? -14.170 4.018 -5.100 1.00 12.61 ? 84 ALA A CA 1 ATOM 515 C C . ALA A 1 64 ? -15.585 3.419 -5.270 1.00 12.54 ? 84 ALA A C 1 ATOM 516 O O . ALA A 1 64 ? -15.846 2.280 -4.948 1.00 12.09 ? 84 ALA A O 1 ATOM 517 C CB . ALA A 1 64 ? -13.203 3.300 -5.971 1.00 12.91 ? 84 ALA A CB 1 ATOM 518 N N . GLN A 1 65 ? -16.455 4.188 -5.893 1.00 14.19 ? 85 GLN A N 1 ATOM 519 C CA . GLN A 1 65 ? -17.882 3.802 -6.061 1.00 14.90 ? 85 GLN A CA 1 ATOM 520 C C . GLN A 1 65 ? -18.093 3.259 -7.486 1.00 15.29 ? 85 GLN A C 1 ATOM 521 O O . GLN A 1 65 ? -18.744 3.887 -8.307 1.00 15.75 ? 85 GLN A O 1 ATOM 522 C CB . GLN A 1 65 ? -18.807 4.998 -5.782 1.00 14.79 ? 85 GLN A CB 1 ATOM 523 C CG . GLN A 1 65 ? -18.644 5.488 -4.334 1.00 15.76 ? 85 GLN A CG 1 ATOM 524 C CD . GLN A 1 65 ? -19.452 6.725 -4.056 1.00 16.88 ? 85 GLN A CD 1 ATOM 525 O OE1 . GLN A 1 65 ? -20.601 6.659 -3.601 1.00 18.96 ? 85 GLN A OE1 1 ATOM 526 N NE2 . GLN A 1 65 ? -18.894 7.857 -4.355 1.00 18.26 ? 85 GLN A NE2 1 ATOM 527 N N . ASP A 1 66 ? -17.549 2.087 -7.740 1.00 14.02 ? 86 ASP A N 1 ATOM 528 C CA . ASP A 1 66 ? -17.590 1.466 -9.059 1.00 15.97 ? 86 ASP A CA 1 ATOM 529 C C . ASP A 1 66 ? -18.464 0.185 -8.938 1.00 16.56 ? 86 ASP A C 1 ATOM 530 O O . ASP A 1 66 ? -19.226 0.048 -7.999 1.00 15.91 ? 86 ASP A O 1 ATOM 531 C CB . ASP A 1 66 ? -16.137 1.252 -9.554 1.00 14.80 ? 86 ASP A CB 1 ATOM 532 C CG . ASP A 1 66 ? -15.251 0.467 -8.571 1.00 14.80 ? 86 ASP A CG 1 ATOM 533 O OD1 . ASP A 1 66 ? -15.751 -0.019 -7.529 1.00 15.55 ? 86 ASP A OD1 1 ATOM 534 O OD2 . ASP A 1 66 ? -14.051 0.251 -8.906 1.00 15.69 ? 86 ASP A OD2 1 ATOM 535 N N . ASN A 1 67 ? -18.403 -0.707 -9.908 1.00 19.04 ? 87 ASN A N 1 ATOM 536 C CA . ASN A 1 67 ? -19.299 -1.907 -9.926 1.00 23.12 ? 87 ASN A CA 1 ATOM 537 C C . ASN A 1 67 ? -18.467 -3.158 -10.278 1.00 24.52 ? 87 ASN A C 1 ATOM 538 O O . ASN A 1 67 ? -18.610 -3.734 -11.362 1.00 23.95 ? 87 ASN A O 1 ATOM 539 C CB . ASN A 1 67 ? -20.507 -1.758 -10.903 1.00 24.25 ? 87 ASN A CB 1 ATOM 540 C CG . ASN A 1 67 ? -21.462 -2.998 -10.875 1.00 28.86 ? 87 ASN A CG 1 ATOM 541 O OD1 . ASN A 1 67 ? -21.679 -3.642 -9.825 1.00 27.64 ? 87 ASN A OD1 1 ATOM 542 N ND2 . ASN A 1 67 ? -21.990 -3.360 -12.034 1.00 32.58 ? 87 ASN A ND2 1 ATOM 543 N N . PRO A 1 68 ? -17.602 -3.599 -9.355 1.00 21.73 ? 88 PRO A N 1 ATOM 544 C CA . PRO A 1 68 ? -16.772 -4.755 -9.654 1.00 21.78 ? 88 PRO A CA 1 ATOM 545 C C . PRO A 1 68 ? -17.531 -6.089 -9.565 1.00 22.39 ? 88 PRO A C 1 ATOM 546 O O . PRO A 1 68 ? -18.403 -6.200 -8.735 1.00 20.15 ? 88 PRO A O 1 ATOM 547 C CB . PRO A 1 68 ? -15.673 -4.693 -8.550 1.00 21.80 ? 88 PRO A CB 1 ATOM 548 C CG . PRO A 1 68 ? -16.359 -4.023 -7.389 1.00 22.75 ? 88 PRO A CG 1 ATOM 549 C CD . PRO A 1 68 ? -17.317 -3.016 -8.034 1.00 22.54 ? 88 PRO A CD 1 ATOM 550 N N . PRO A 1 69 ? -17.171 -7.117 -10.351 1.00 24.05 ? 89 PRO A N 1 ATOM 551 C CA . PRO A 1 69 ? -15.996 -7.130 -11.250 1.00 24.17 ? 89 PRO A CA 1 ATOM 552 C C . PRO A 1 69 ? -16.259 -6.662 -12.679 1.00 23.83 ? 89 PRO A C 1 ATOM 553 O O . PRO A 1 69 ? -15.357 -6.681 -13.508 1.00 23.81 ? 89 PRO A O 1 ATOM 554 C CB . PRO A 1 69 ? -15.595 -8.605 -11.245 1.00 24.12 ? 89 PRO A CB 1 ATOM 555 C CG . PRO A 1 69 ? -16.911 -9.294 -11.106 1.00 24.70 ? 89 PRO A CG 1 ATOM 556 C CD . PRO A 1 69 ? -17.660 -8.477 -10.090 1.00 23.47 ? 89 PRO A CD 1 ATOM 557 N N . GLN A 1 70 ? -17.452 -6.170 -12.943 1.00 24.75 ? 90 GLN A N 1 ATOM 558 C CA . GLN A 1 70 ? -17.831 -5.727 -14.285 1.00 26.16 ? 90 GLN A CA 1 ATOM 559 C C . GLN A 1 70 ? -17.185 -4.419 -14.736 1.00 23.75 ? 90 GLN A C 1 ATOM 560 O O . GLN A 1 70 ? -16.808 -4.266 -15.886 1.00 22.07 ? 90 GLN A O 1 ATOM 561 C CB . GLN A 1 70 ? -19.369 -5.561 -14.369 1.00 29.64 ? 90 GLN A CB 1 ATOM 562 C CG . GLN A 1 70 ? -20.201 -6.825 -14.626 1.00 35.71 ? 90 GLN A CG 1 ATOM 563 C CD . GLN A 1 70 ? -19.781 -8.105 -13.892 1.00 43.91 ? 90 GLN A CD 1 ATOM 564 O OE1 . GLN A 1 70 ? -20.038 -8.287 -12.685 1.00 46.62 ? 90 GLN A OE1 1 ATOM 565 N NE2 . GLN A 1 70 ? -19.175 -9.038 -14.644 1.00 47.88 ? 90 GLN A NE2 1 ATOM 566 N N . SER A 1 71 ? -17.074 -3.479 -13.808 1.00 20.33 ? 91 SER A N 1 ATOM 567 C CA . SER A 1 71 ? -16.587 -2.136 -14.081 1.00 20.59 ? 91 SER A CA 1 ATOM 568 C C . SER A 1 71 ? -15.813 -1.604 -12.856 1.00 20.70 ? 91 SER A C 1 ATOM 569 O O . SER A 1 71 ? -16.343 -1.683 -11.738 1.00 19.82 ? 91 SER A O 1 ATOM 570 C CB . SER A 1 71 ? -17.774 -1.219 -14.333 1.00 21.59 ? 91 SER A CB 1 ATOM 571 O OG . SER A 1 71 ? -17.312 0.085 -14.723 1.00 24.70 ? 91 SER A OG 1 ATOM 572 N N . CYS A 1 72 ? -14.556 -1.183 -13.046 1.00 18.48 ? 92 CYS A N 1 ATOM 573 C CA . CYS A 1 72 ? -13.766 -0.650 -11.938 1.00 17.39 ? 92 CYS A CA 1 ATOM 574 C C . CYS A 1 72 ? -13.356 0.771 -12.317 1.00 16.14 ? 92 CYS A C 1 ATOM 575 O O . CYS A 1 72 ? -13.083 1.054 -13.496 1.00 16.42 ? 92 CYS A O 1 ATOM 576 C CB . CYS A 1 72 ? -12.512 -1.506 -11.700 1.00 18.05 ? 92 CYS A CB 1 ATOM 577 S SG . CYS A 1 72 ? -12.777 -2.905 -10.614 1.00 21.63 ? 92 CYS A SG 1 ATOM 578 N N . GLY A 1 73 ? -13.232 1.662 -11.347 1.00 13.37 ? 93 GLY A N 1 ATOM 579 C CA . GLY A 1 73 ? -12.729 2.982 -11.637 1.00 13.31 ? 93 GLY A CA 1 ATOM 580 C C . GLY A 1 73 ? -12.729 3.817 -10.391 1.00 13.21 ? 93 GLY A C 1 ATOM 581 O O . GLY A 1 73 ? -13.573 3.600 -9.544 1.00 16.97 ? 93 GLY A O 1 ATOM 582 N N . VAL A 1 74 ? -11.817 4.773 -10.284 1.00 12.86 ? 94 VAL A N 1 ATOM 583 C CA . VAL A 1 74 ? -11.732 5.634 -9.097 1.00 13.39 ? 94 VAL A CA 1 ATOM 584 C C . VAL A 1 74 ? -11.827 7.041 -9.614 1.00 14.60 ? 94 VAL A C 1 ATOM 585 O O . VAL A 1 74 ? -11.206 7.334 -10.660 1.00 16.75 ? 94 VAL A O 1 ATOM 586 C CB . VAL A 1 74 ? -10.340 5.499 -8.384 1.00 13.28 ? 94 VAL A CB 1 ATOM 587 C CG1 . VAL A 1 74 ? -10.398 6.149 -6.999 1.00 14.11 ? 94 VAL A CG1 1 ATOM 588 C CG2 . VAL A 1 74 ? -9.971 4.054 -8.220 1.00 14.95 ? 94 VAL A CG2 1 ATOM 589 N N . ASP A 1 75 ? -12.471 7.924 -8.872 1.00 14.04 ? 95 ASP A N 1 ATOM 590 C CA . ASP A 1 75 ? -12.580 9.331 -9.268 1.00 15.51 ? 95 ASP A CA 1 ATOM 591 C C . ASP A 1 75 ? -12.438 10.188 -8.028 1.00 14.48 ? 95 ASP A C 1 ATOM 592 O O . ASP A 1 75 ? -13.213 10.040 -7.094 1.00 14.95 ? 95 ASP A O 1 ATOM 593 C CB . ASP A 1 75 ? -13.963 9.527 -9.919 1.00 18.44 ? 95 ASP A CB 1 ATOM 594 C CG . ASP A 1 75 ? -14.194 10.982 -10.353 1.00 22.38 ? 95 ASP A CG 1 ATOM 595 O OD1 . ASP A 1 75 ? -14.239 11.929 -9.567 1.00 20.73 ? 95 ASP A OD1 1 ATOM 596 O OD2 . ASP A 1 75 ? -14.272 11.199 -11.548 1.00 32.68 ? 95 ASP A OD2 1 ATOM 597 N N . TYR A 1 76 ? -11.438 11.053 -7.991 1.00 15.42 ? 96 TYR A N 1 ATOM 598 C CA . TYR A 1 76 ? -11.131 11.844 -6.800 1.00 15.99 ? 96 TYR A CA 1 ATOM 599 C C . TYR A 1 76 ? -12.337 12.671 -6.244 1.00 16.53 ? 96 TYR A C 1 ATOM 600 O O . TYR A 1 76 ? -12.703 12.582 -5.058 1.00 14.07 ? 96 TYR A O 1 ATOM 601 C CB . TYR A 1 76 ? -10.006 12.795 -7.095 1.00 15.01 ? 96 TYR A CB 1 ATOM 602 C CG . TYR A 1 76 ? -9.523 13.636 -5.937 1.00 15.26 ? 96 TYR A CG 1 ATOM 603 C CD1 . TYR A 1 76 ? -9.044 13.039 -4.758 1.00 14.80 ? 96 TYR A CD1 1 ATOM 604 C CD2 . TYR A 1 76 ? -9.456 15.045 -6.030 1.00 14.85 ? 96 TYR A CD2 1 ATOM 605 C CE1 . TYR A 1 76 ? -8.568 13.819 -3.726 1.00 13.88 ? 96 TYR A CE1 1 ATOM 606 C CE2 . TYR A 1 76 ? -8.963 15.824 -5.007 1.00 13.72 ? 96 TYR A CE2 1 ATOM 607 C CZ . TYR A 1 76 ? -8.468 15.188 -3.884 1.00 15.43 ? 96 TYR A CZ 1 ATOM 608 O OH . TYR A 1 76 ? -7.954 15.930 -2.817 1.00 16.45 ? 96 TYR A OH 1 ATOM 609 N N . ASP A 1 77 ? -12.913 13.484 -7.120 1.00 17.61 ? 97 ASP A N 1 ATOM 610 C CA . ASP A 1 77 ? -14.010 14.375 -6.731 1.00 19.89 ? 97 ASP A CA 1 ATOM 611 C C . ASP A 1 77 ? -15.189 13.547 -6.291 1.00 18.23 ? 97 ASP A C 1 ATOM 612 O O . ASP A 1 77 ? -15.791 13.874 -5.290 1.00 18.35 ? 97 ASP A O 1 ATOM 613 C CB . ASP A 1 77 ? -14.426 15.313 -7.866 1.00 24.42 ? 97 ASP A CB 1 ATOM 614 C CG . ASP A 1 77 ? -15.416 16.350 -7.410 1.00 27.41 ? 97 ASP A CG 1 ATOM 615 O OD1 . ASP A 1 77 ? -15.027 17.169 -6.568 1.00 34.32 ? 97 ASP A OD1 1 ATOM 616 O OD2 . ASP A 1 77 ? -16.594 16.318 -7.844 1.00 32.43 ? 97 ASP A OD2 1 ATOM 617 N N . ARG A 1 78 ? -15.482 12.443 -6.987 1.00 16.86 ? 98 ARG A N 1 ATOM 618 C CA . ARG A 1 78 ? -16.628 11.584 -6.611 1.00 17.00 ? 98 ARG A CA 1 ATOM 619 C C . ARG A 1 78 ? -16.448 10.777 -5.323 1.00 15.89 ? 98 ARG A C 1 ATOM 620 O O . ARG A 1 78 ? -17.406 10.556 -4.560 1.00 14.84 ? 98 ARG A O 1 ATOM 621 C CB . ARG A 1 78 ? -16.937 10.599 -7.766 1.00 17.59 ? 98 ARG A CB 1 ATOM 622 C CG . ARG A 1 78 ? -18.170 9.744 -7.610 1.00 18.35 ? 98 ARG A CG 1 ATOM 623 C CD . ARG A 1 78 ? -18.260 8.641 -8.655 1.00 19.01 ? 98 ARG A CD 1 ATOM 624 N NE . ARG A 1 78 ? -17.187 7.663 -8.489 1.00 19.84 ? 98 ARG A NE 1 ATOM 625 C CZ . ARG A 1 78 ? -16.845 6.730 -9.365 1.00 20.19 ? 98 ARG A CZ 1 ATOM 626 N NH1 . ARG A 1 78 ? -17.495 6.630 -10.541 1.00 21.30 ? 98 ARG A NH1 1 ATOM 627 N NH2 . ARG A 1 78 ? -15.821 5.901 -9.107 1.00 20.16 ? 98 ARG A NH2 1 ATOM 628 N N . ASP A 1 79 ? -15.226 10.326 -5.073 1.00 15.00 ? 99 ASP A N 1 ATOM 629 C CA . ASP A 1 79 ? -14.978 9.232 -4.156 1.00 14.71 ? 99 ASP A CA 1 ATOM 630 C C . ASP A 1 79 ? -14.189 9.616 -2.906 1.00 14.14 ? 99 ASP A C 1 ATOM 631 O O . ASP A 1 79 ? -14.288 8.905 -1.926 1.00 14.18 ? 99 ASP A O 1 ATOM 632 C CB . ASP A 1 79 ? -14.200 8.104 -4.836 1.00 14.67 ? 99 ASP A CB 1 ATOM 633 C CG . ASP A 1 79 ? -14.955 7.454 -5.942 1.00 16.34 ? 99 ASP A CG 1 ATOM 634 O OD1 . ASP A 1 79 ? -16.193 7.421 -5.945 1.00 15.06 ? 99 ASP A OD1 1 ATOM 635 O OD2 . ASP A 1 79 ? -14.304 6.906 -6.854 1.00 15.64 ? 99 ASP A OD2 1 ATOM 636 N N . CYS A 1 80 ? -13.483 10.746 -2.916 1.00 14.99 ? 100 CYS A N 1 ATOM 637 C CA . CYS A 1 80 ? -12.667 11.117 -1.739 1.00 14.66 ? 100 CYS A CA 1 ATOM 638 C C . CYS A 1 80 ? -13.529 11.293 -0.471 1.00 15.28 ? 100 CYS A C 1 ATOM 639 O O . CYS A 1 80 ? -13.320 10.613 0.565 1.00 13.56 ? 100 CYS A O 1 ATOM 640 C CB . CYS A 1 80 ? -11.832 12.370 -1.977 1.00 14.72 ? 100 CYS A CB 1 ATOM 641 S SG . CYS A 1 80 ? -10.555 12.593 -0.705 1.00 15.45 ? 100 CYS A SG 1 ATOM 642 N N . GLY A 1 81 ? -14.532 12.170 -0.591 1.00 17.10 ? 101 GLY A N 1 ATOM 643 C CA . GLY A 1 81 ? -15.443 12.475 0.502 1.00 15.11 ? 101 GLY A CA 1 ATOM 644 C C . GLY A 1 81 ? -15.067 13.677 1.321 1.00 14.73 ? 101 GLY A C 1 ATOM 645 O O . GLY A 1 81 ? -13.928 14.179 1.284 1.00 13.49 ? 101 GLY A O 1 ATOM 646 N N . SER A 1 82 ? -16.008 14.111 2.157 1.00 16.43 ? 102 SER A N 1 ATOM 647 C CA . SER A 1 82 ? -15.823 15.343 2.955 1.00 18.25 ? 102 SER A CA 1 ATOM 648 C C . SER A 1 82 ? -14.780 15.247 4.098 1.00 18.56 ? 102 SER A C 1 ATOM 649 O O . SER A 1 82 ? -14.295 16.296 4.616 1.00 19.56 ? 102 SER A O 1 ATOM 650 C CB . SER A 1 82 ? -17.170 15.771 3.572 1.00 19.48 ? 102 SER A CB 1 ATOM 651 O OG . SER A 1 82 ? -17.809 14.688 4.249 1.00 23.08 ? 102 SER A OG 1 ATOM 652 N N . ALA A 1 83 ? -14.419 14.039 4.494 1.00 15.33 ? 103 ALA A N 1 ATOM 653 C CA . ALA A 1 83 ? -13.472 13.867 5.598 1.00 15.37 ? 103 ALA A CA 1 ATOM 654 C C . ALA A 1 83 ? -12.070 13.555 5.080 1.00 14.10 ? 103 ALA A C 1 ATOM 655 O O . ALA A 1 83 ? -11.175 13.332 5.883 1.00 16.73 ? 103 ALA A O 1 ATOM 656 C CB . ALA A 1 83 ? -13.929 12.764 6.520 1.00 16.23 ? 103 ALA A CB 1 ATOM 657 N N . GLY A 1 84 ? -11.892 13.485 3.764 1.00 12.71 ? 104 GLY A N 1 ATOM 658 C CA . GLY A 1 84 ? -10.592 13.255 3.201 1.00 12.12 ? 104 GLY A CA 1 ATOM 659 C C . GLY A 1 84 ? -10.398 11.788 2.913 1.00 11.55 ? 104 GLY A C 1 ATOM 660 O O . GLY A 1 84 ? -11.242 10.966 3.234 1.00 11.23 ? 104 GLY A O 1 ATOM 661 N N . CYS A 1 85 ? -9.285 11.459 2.266 1.00 11.75 ? 105 CYS A N 1 ATOM 662 C CA . CYS A 1 85 ? -9.002 10.048 1.836 1.00 10.38 ? 105 CYS A CA 1 ATOM 663 C C . CYS A 1 85 ? -7.526 9.900 1.723 1.00 10.41 ? 105 CYS A C 1 ATOM 664 O O . CYS A 1 85 ? -6.781 10.851 1.958 1.00 9.44 ? 105 CYS A O 1 ATOM 665 C CB . CYS A 1 85 ? -9.695 9.773 0.520 1.00 11.74 ? 105 CYS A CB 1 ATOM 666 S SG . CYS A 1 85 ? -9.211 10.911 -0.840 1.00 12.85 ? 105 CYS A SG 1 ATOM 667 N N . SER A 1 86 ? -7.105 8.740 1.236 1.00 9.32 ? 106 SER A N 1 ATOM 668 C CA . SER A 1 86 ? -5.709 8.505 1.004 1.00 9.84 ? 106 SER A CA 1 ATOM 669 C C . SER A 1 86 ? -5.071 9.529 0.068 1.00 9.49 ? 106 SER A C 1 ATOM 670 O O . SER A 1 86 ? -3.924 10.006 0.304 1.00 9.06 ? 106 SER A O 1 ATOM 671 C CB . SER A 1 86 ? -5.515 7.062 0.502 1.00 9.45 ? 106 SER A CB 1 ATOM 672 O OG . SER A 1 86 ? -6.273 6.828 -0.655 1.00 9.21 ? 106 SER A OG 1 ATOM 673 N N . ILE A 1 87 ? -5.801 9.887 -0.980 1.00 9.95 ? 107 ILE A N 1 ATOM 674 C CA . ILE A 1 87 ? -5.290 10.810 -1.991 1.00 10.03 ? 107 ILE A CA 1 ATOM 675 C C . ILE A 1 87 ? -5.071 12.232 -1.425 1.00 10.36 ? 107 ILE A C 1 ATOM 676 O O . ILE A 1 87 ? -3.999 12.822 -1.616 1.00 9.82 ? 107 ILE A O 1 ATOM 677 C CB . ILE A 1 87 ? -6.236 10.856 -3.192 1.00 11.56 ? 107 ILE A CB 1 ATOM 678 C CG1 . ILE A 1 87 ? -6.523 9.459 -3.758 1.00 12.49 ? 107 ILE A CG1 1 ATOM 679 C CG2 . ILE A 1 87 ? -5.684 11.748 -4.300 1.00 11.91 ? 107 ILE A CG2 1 ATOM 680 C CD1 . ILE A 1 87 ? -5.309 8.612 -4.064 1.00 13.35 ? 107 ILE A CD1 1 ATOM 681 N N . SER A 1 88 ? -6.082 12.778 -0.742 1.00 10.56 ? 108 SER A N 1 ATOM 682 C CA . SER A 1 88 ? -5.954 14.099 -0.154 1.00 10.92 ? 108 SER A CA 1 ATOM 683 C C . SER A 1 88 ? -4.856 14.122 0.925 1.00 10.86 ? 108 SER A C 1 ATOM 684 O O . SER A 1 88 ? -4.158 15.139 1.117 1.00 10.85 ? 108 SER A O 1 ATOM 685 C CB . SER A 1 88 ? -7.293 14.597 0.374 1.00 11.43 ? 108 SER A CB 1 ATOM 686 O OG . SER A 1 88 ? -7.748 13.876 1.514 1.00 11.71 ? 108 SER A OG 1 ATOM 687 N N . ALA A 1 89 ? -4.735 13.033 1.684 1.00 10.35 ? 109 ALA A N 1 ATOM 688 C CA . ALA A 1 89 ? -3.679 12.909 2.692 1.00 10.42 ? 109 ALA A CA 1 ATOM 689 C C . ALA A 1 89 ? -2.282 12.960 2.053 1.00 10.42 ? 109 ALA A C 1 ATOM 690 O O . ALA A 1 89 ? -1.394 13.683 2.538 1.00 10.00 ? 109 ALA A O 1 ATOM 691 C CB . ALA A 1 89 ? -3.850 11.594 3.524 1.00 10.41 ? 109 ALA A CB 1 ATOM 692 N N . ILE A 1 90 ? -2.042 12.167 1.002 1.00 10.26 ? 110 ILE A N 1 ATOM 693 C CA . ILE A 1 90 ? -0.768 12.277 0.311 1.00 10.91 ? 110 ILE A CA 1 ATOM 694 C C . ILE A 1 90 ? -0.491 13.725 -0.161 1.00 10.90 ? 110 ILE A C 1 ATOM 695 O O . ILE A 1 90 ? 0.601 14.235 -0.008 1.00 10.86 ? 110 ILE A O 1 ATOM 696 C CB . ILE A 1 90 ? -0.692 11.285 -0.882 1.00 11.92 ? 110 ILE A CB 1 ATOM 697 C CG1 . ILE A 1 90 ? -0.646 9.860 -0.363 1.00 12.57 ? 110 ILE A CG1 1 ATOM 698 C CG2 . ILE A 1 90 ? 0.518 11.578 -1.776 1.00 12.84 ? 110 ILE A CG2 1 ATOM 699 C CD1 . ILE A 1 90 ? 0.503 9.521 0.581 1.00 13.64 ? 110 ILE A CD1 1 ATOM 700 N N . GLN A 1 91 ? -1.481 14.390 -0.674 1.00 11.02 ? 111 GLN A N 1 ATOM 701 C CA . GLN A 1 91 ? -1.303 15.813 -1.001 1.00 12.90 ? 111 GLN A CA 1 ATOM 702 C C . GLN A 1 91 ? -0.848 16.666 0.182 1.00 12.93 ? 111 GLN A C 1 ATOM 703 O O . GLN A 1 91 ? 0.263 17.340 0.152 1.00 13.23 ? 111 GLN A O 1 ATOM 704 C CB . GLN A 1 91 ? -2.599 16.415 -1.627 1.00 13.21 ? 111 GLN A CB 1 ATOM 705 C CG . GLN A 1 91 ? -2.488 17.930 -1.898 1.00 15.56 ? 111 GLN A CG 1 ATOM 706 C CD . GLN A 1 91 ? -3.720 18.509 -2.555 1.00 18.60 ? 111 GLN A CD 1 ATOM 707 O OE1 . GLN A 1 91 ? -4.811 18.330 -2.049 1.00 22.38 ? 111 GLN A OE1 1 ATOM 708 N NE2 . GLN A 1 91 ? -3.544 19.168 -3.666 1.00 19.60 ? 111 GLN A NE2 1 ATOM 709 N N . ASN A 1 92 ? -1.631 16.558 1.266 1.00 12.60 ? 112 ASN A N 1 ATOM 710 C CA . ASN A 1 92 ? -1.339 17.389 2.479 1.00 14.90 ? 112 ASN A CA 1 ATOM 711 C C . ASN A 1 92 ? 0.038 17.088 3.044 1.00 12.78 ? 112 ASN A C 1 ATOM 712 O O . ASN A 1 92 ? 0.833 18.008 3.320 1.00 12.34 ? 112 ASN A O 1 ATOM 713 C CB . ASN A 1 92 ? -2.351 17.074 3.538 1.00 18.37 ? 112 ASN A CB 1 ATOM 714 C CG . ASN A 1 92 ? -2.332 18.038 4.727 1.00 26.06 ? 112 ASN A CG 1 ATOM 715 O OD1 . ASN A 1 92 ? -1.796 19.123 4.654 1.00 38.33 ? 112 ASN A OD1 1 ATOM 716 N ND2 . ASN A 1 92 ? -2.958 17.605 5.854 1.00 32.49 ? 112 ASN A ND2 1 ATOM 717 N N . TYR A 1 93 ? 0.321 15.800 3.223 1.00 11.95 ? 113 TYR A N 1 ATOM 718 C CA . TYR A 1 93 ? 1.520 15.430 3.969 1.00 12.18 ? 113 TYR A CA 1 ATOM 719 C C . TYR A 1 93 ? 2.770 15.574 3.104 1.00 11.95 ? 113 TYR A C 1 ATOM 720 O O . TYR A 1 93 ? 3.807 15.916 3.620 1.00 10.59 ? 113 TYR A O 1 ATOM 721 C CB . TYR A 1 93 ? 1.410 14.051 4.633 1.00 10.80 ? 113 TYR A CB 1 ATOM 722 C CG . TYR A 1 93 ? 0.339 14.067 5.714 1.00 11.02 ? 113 TYR A CG 1 ATOM 723 C CD1 . TYR A 1 93 ? 0.442 14.922 6.801 1.00 11.48 ? 113 TYR A CD1 1 ATOM 724 C CD2 . TYR A 1 93 ? -0.794 13.265 5.620 1.00 11.06 ? 113 TYR A CD2 1 ATOM 725 C CE1 . TYR A 1 93 ? -0.552 14.986 7.764 1.00 11.85 ? 113 TYR A CE1 1 ATOM 726 C CE2 . TYR A 1 93 ? -1.768 13.298 6.619 1.00 13.57 ? 113 TYR A CE2 1 ATOM 727 C CZ . TYR A 1 93 ? -1.641 14.171 7.668 1.00 12.70 ? 113 TYR A CZ 1 ATOM 728 O OH . TYR A 1 93 ? -2.585 14.274 8.660 1.00 14.73 ? 113 TYR A OH 1 ATOM 729 N N . THR A 1 94 ? 2.658 15.271 1.808 1.00 12.79 ? 114 THR A N 1 ATOM 730 C CA . THR A 1 94 ? 3.710 15.664 0.839 1.00 12.56 ? 114 THR A CA 1 ATOM 731 C C . THR A 1 94 ? 4.000 17.158 0.886 1.00 12.97 ? 114 THR A C 1 ATOM 732 O O . THR A 1 94 ? 5.162 17.578 1.027 1.00 11.86 ? 114 THR A O 1 ATOM 733 C CB . THR A 1 94 ? 3.397 15.197 -0.581 1.00 13.20 ? 114 THR A CB 1 ATOM 734 O OG1 . THR A 1 94 ? 3.139 13.779 -0.523 1.00 12.34 ? 114 THR A OG1 1 ATOM 735 C CG2 . THR A 1 94 ? 4.575 15.489 -1.481 1.00 14.41 ? 114 THR A CG2 1 ATOM 736 N N . ASN A 1 95 ? 2.960 17.977 0.858 1.00 13.60 ? 115 ASN A N 1 ATOM 737 C CA . ASN A 1 95 ? 3.202 19.423 0.892 1.00 15.35 ? 115 ASN A CA 1 ATOM 738 C C . ASN A 1 95 ? 3.888 19.864 2.148 1.00 13.89 ? 115 ASN A C 1 ATOM 739 O O . ASN A 1 95 ? 4.762 20.743 2.082 1.00 14.86 ? 115 ASN A O 1 ATOM 740 C CB . ASN A 1 95 ? 1.936 20.214 0.518 1.00 15.99 ? 115 ASN A CB 1 ATOM 741 C CG . ASN A 1 95 ? 1.650 20.112 -0.994 1.00 18.90 ? 115 ASN A CG 1 ATOM 742 O OD1 . ASN A 1 95 ? 2.561 19.820 -1.799 1.00 20.27 ? 115 ASN A OD1 1 ATOM 743 N ND2 . ASN A 1 95 ? 0.377 20.219 -1.374 1.00 19.58 ? 115 ASN A ND2 1 ATOM 744 N N . ILE A 1 96 ? 3.523 19.262 3.289 1.00 13.21 ? 116 ILE A N 1 ATOM 745 C CA . ILE A 1 96 ? 4.166 19.584 4.527 1.00 13.71 ? 116 ILE A CA 1 ATOM 746 C C . ILE A 1 96 ? 5.673 19.286 4.441 1.00 13.65 ? 116 ILE A C 1 ATOM 747 O O . ILE A 1 96 ? 6.510 20.104 4.865 1.00 14.23 ? 116 ILE A O 1 ATOM 748 C CB . ILE A 1 96 ? 3.495 18.834 5.737 1.00 14.00 ? 116 ILE A CB 1 ATOM 749 C CG1 . ILE A 1 96 ? 2.167 19.466 6.036 1.00 14.27 ? 116 ILE A CG1 1 ATOM 750 C CG2 . ILE A 1 96 ? 4.397 18.865 6.960 1.00 14.24 ? 116 ILE A CG2 1 ATOM 751 C CD1 . ILE A 1 96 ? 1.254 18.614 6.874 1.00 15.41 ? 116 ILE A CD1 1 ATOM 752 N N . LEU A 1 97 ? 6.013 18.102 3.924 1.00 12.28 ? 117 LEU A N 1 ATOM 753 C CA . LEU A 1 97 ? 7.429 17.721 3.813 1.00 12.03 ? 117 LEU A CA 1 ATOM 754 C C . LEU A 1 97 ? 8.217 18.549 2.765 1.00 12.60 ? 117 LEU A C 1 ATOM 755 O O . LEU A 1 97 ? 9.436 18.793 2.929 1.00 14.07 ? 117 LEU A O 1 ATOM 756 C CB . LEU A 1 97 ? 7.532 16.239 3.487 1.00 11.76 ? 117 LEU A CB 1 ATOM 757 C CG . LEU A 1 97 ? 7.047 15.278 4.569 1.00 12.01 ? 117 LEU A CG 1 ATOM 758 C CD1 . LEU A 1 97 ? 6.816 13.893 3.985 1.00 12.96 ? 117 LEU A CD1 1 ATOM 759 C CD2 . LEU A 1 97 ? 8.052 15.205 5.701 1.00 12.77 ? 117 LEU A CD2 1 ATOM 760 N N . LEU A 1 98 ? 7.530 19.001 1.721 1.00 14.31 ? 118 LEU A N 1 ATOM 761 C CA . LEU A 1 98 ? 8.150 19.832 0.678 1.00 16.91 ? 118 LEU A CA 1 ATOM 762 C C . LEU A 1 98 ? 8.446 21.187 1.219 1.00 19.67 ? 118 LEU A C 1 ATOM 763 O O . LEU A 1 98 ? 9.563 21.663 0.992 1.00 21.54 ? 118 LEU A O 1 ATOM 764 C CB . LEU A 1 98 ? 7.297 19.984 -0.567 1.00 18.20 ? 118 LEU A CB 1 ATOM 765 C CG . LEU A 1 98 ? 7.275 18.735 -1.402 1.00 17.77 ? 118 LEU A CG 1 ATOM 766 C CD1 . LEU A 1 98 ? 6.185 18.858 -2.445 1.00 20.05 ? 118 LEU A CD1 1 ATOM 767 C CD2 . LEU A 1 98 ? 8.612 18.480 -2.091 1.00 17.32 ? 118 LEU A CD2 1 ATOM 768 N N . GLU A 1 99 ? 7.530 21.759 1.991 1.00 19.38 ? 119 GLU A N 1 ATOM 769 C CA . GLU A 1 99 ? 7.638 23.171 2.365 1.00 22.62 ? 119 GLU A CA 1 ATOM 770 C C . GLU A 1 99 ? 8.123 23.378 3.794 1.00 24.85 ? 119 GLU A C 1 ATOM 771 O O . GLU A 1 99 ? 8.776 24.389 4.069 1.00 27.33 ? 119 GLU A O 1 ATOM 772 C CB . GLU A 1 99 ? 6.327 23.907 2.087 1.00 25.30 ? 119 GLU A CB 1 ATOM 773 C CG . GLU A 1 99 ? 5.966 23.896 0.620 1.00 30.94 ? 119 GLU A CG 1 ATOM 774 C CD . GLU A 1 99 ? 4.651 24.577 0.317 0.50 32.53 ? 119 GLU A CD 1 ATOM 775 O OE1 . GLU A 1 99 ? 4.575 25.238 -0.733 0.50 36.43 ? 119 GLU A OE1 1 ATOM 776 O OE2 . GLU A 1 99 ? 3.701 24.449 1.120 0.50 34.28 ? 119 GLU A OE2 1 ATOM 777 N N . SER A 1 100 ? 7.886 22.412 4.694 1.00 24.64 ? 120 SER A N 1 ATOM 778 C CA . SER A 1 100 ? 8.218 22.568 6.156 1.00 23.73 ? 120 SER A CA 1 ATOM 779 C C . SER A 1 100 ? 8.821 21.284 6.742 1.00 21.38 ? 120 SER A C 1 ATOM 780 O O . SER A 1 100 ? 8.414 20.829 7.795 1.00 23.91 ? 120 SER A O 1 ATOM 781 C CB . SER A 1 100 ? 6.974 22.971 6.943 1.00 27.07 ? 120 SER A CB 1 ATOM 782 O OG . SER A 1 100 ? 6.333 24.081 6.314 1.00 29.65 ? 120 SER A OG 1 ATOM 783 N N . PRO A 1 101 ? 9.820 20.707 6.070 1.00 20.81 ? 121 PRO A N 1 ATOM 784 C CA . PRO A 1 101 ? 10.478 19.479 6.563 1.00 21.33 ? 121 PRO A CA 1 ATOM 785 C C . PRO A 1 101 ? 11.127 19.582 7.964 1.00 25.45 ? 121 PRO A C 1 ATOM 786 O O . PRO A 1 101 ? 11.508 18.557 8.557 1.00 24.26 ? 121 PRO A O 1 ATOM 787 C CB . PRO A 1 101 ? 11.558 19.209 5.498 1.00 21.77 ? 121 PRO A CB 1 ATOM 788 C CG . PRO A 1 101 ? 11.871 20.550 4.946 1.00 21.38 ? 121 PRO A CG 1 ATOM 789 C CD . PRO A 1 101 ? 10.564 21.309 4.945 1.00 20.18 ? 121 PRO A CD 1 ATOM 790 N N . ASN A 1 102 ? 11.343 20.802 8.432 1.00 27.84 ? 122 ASN A N 1 ATOM 791 C CA . ASN A 1 102 ? 11.831 21.039 9.824 1.00 33.21 ? 122 ASN A CA 1 ATOM 792 C C . ASN A 1 102 ? 10.775 21.588 10.805 1.00 28.14 ? 122 ASN A C 1 ATOM 793 O O . ASN A 1 102 ? 11.110 21.957 11.919 1.00 32.93 ? 122 ASN A O 1 ATOM 794 C CB . ASN A 1 102 ? 13.047 21.970 9.777 1.00 34.94 ? 122 ASN A CB 1 ATOM 795 C CG . ASN A 1 102 ? 14.071 21.526 8.752 1.00 38.38 ? 122 ASN A CG 1 ATOM 796 O OD1 . ASN A 1 102 ? 14.364 22.258 7.816 1.00 41.83 ? 122 ASN A OD1 1 ATOM 797 N ND2 . ASN A 1 102 ? 14.574 20.300 8.882 1.00 42.35 ? 122 ASN A ND2 1 ATOM 798 N N . GLY A 1 103 ? 9.533 21.690 10.380 1.00 26.82 ? 123 GLY A N 1 ATOM 799 C CA . GLY A 1 103 ? 8.453 22.094 11.275 1.00 27.51 ? 123 GLY A CA 1 ATOM 800 C C . GLY A 1 103 ? 8.039 20.953 12.188 1.00 29.74 ? 123 GLY A C 1 ATOM 801 O O . GLY A 1 103 ? 8.506 19.803 12.013 1.00 33.72 ? 123 GLY A O 1 ATOM 802 N N . SER A 1 104 ? 7.127 21.238 13.121 1.00 28.36 ? 124 SER A N 1 ATOM 803 C CA . SER A 1 104 ? 6.674 20.211 14.057 1.00 30.03 ? 124 SER A CA 1 ATOM 804 C C . SER A 1 104 ? 5.854 19.092 13.367 1.00 31.25 ? 124 SER A C 1 ATOM 805 O O . SER A 1 104 ? 5.801 17.950 13.851 1.00 30.32 ? 124 SER A O 1 ATOM 806 C CB . SER A 1 104 ? 5.830 20.816 15.172 1.00 31.92 ? 124 SER A CB 1 ATOM 807 O OG . SER A 1 104 ? 4.728 21.509 14.592 1.00 33.06 ? 124 SER A OG 1 ATOM 808 N N . GLU A 1 105 ? 5.268 19.425 12.216 1.00 26.41 ? 125 GLU A N 1 ATOM 809 C CA . GLU A 1 105 ? 4.407 18.499 11.526 1.00 24.53 ? 125 GLU A CA 1 ATOM 810 C C . GLU A 1 105 ? 5.147 17.471 10.633 1.00 20.12 ? 125 GLU A C 1 ATOM 811 O O . GLU A 1 105 ? 4.517 16.524 10.194 1.00 17.48 ? 125 GLU A O 1 ATOM 812 C CB . GLU A 1 105 ? 3.357 19.277 10.734 1.00 26.66 ? 125 GLU A CB 1 ATOM 813 C CG . GLU A 1 105 ? 2.078 19.610 11.503 1.00 29.32 ? 125 GLU A CG 1 ATOM 814 C CD . GLU A 1 105 ? 1.356 20.813 10.939 0.50 31.42 ? 125 GLU A CD 1 ATOM 815 O OE1 . GLU A 1 105 ? 1.773 21.966 11.227 0.50 38.72 ? 125 GLU A OE1 1 ATOM 816 O OE2 . GLU A 1 105 ? 0.360 20.615 10.223 0.50 32.39 ? 125 GLU A OE2 1 ATOM 817 N N . ALA A 1 106 ? 6.432 17.641 10.402 1.00 18.51 ? 126 ALA A N 1 ATOM 818 C CA . ALA A 1 106 ? 7.165 16.824 9.453 1.00 17.48 ? 126 ALA A CA 1 ATOM 819 C C . ALA A 1 106 ? 7.228 15.367 9.828 1.00 15.95 ? 126 ALA A C 1 ATOM 820 O O . ALA A 1 106 ? 7.161 14.486 8.961 1.00 14.61 ? 126 ALA A O 1 ATOM 821 C CB . ALA A 1 106 ? 8.566 17.366 9.201 1.00 17.80 ? 126 ALA A CB 1 ATOM 822 N N . LEU A 1 107 ? 7.444 15.111 11.111 1.00 14.55 ? 127 LEU A N 1 ATOM 823 C CA . LEU A 1 107 ? 7.637 13.704 11.580 1.00 14.74 ? 127 LEU A CA 1 ATOM 824 C C . LEU A 1 107 ? 6.402 12.856 11.302 1.00 12.75 ? 127 LEU A C 1 ATOM 825 O O . LEU A 1 107 ? 6.494 11.814 10.656 1.00 13.11 ? 127 LEU A O 1 ATOM 826 C CB . LEU A 1 107 ? 8.015 13.684 13.081 1.00 16.39 ? 127 LEU A CB 1 ATOM 827 C CG . LEU A 1 107 ? 7.953 12.348 13.802 1.00 17.48 ? 127 LEU A CG 1 ATOM 828 C CD1 . LEU A 1 107 ? 9.013 11.453 13.244 1.00 17.96 ? 127 LEU A CD1 1 ATOM 829 C CD2 . LEU A 1 107 ? 8.129 12.585 15.310 1.00 18.74 ? 127 LEU A CD2 1 ATOM 830 N N . ASN A 1 108 ? 5.240 13.315 11.752 1.00 13.39 ? 128 ASN A N 1 ATOM 831 C CA . ASN A 1 108 ? 4.007 12.603 11.413 1.00 13.05 ? 128 ASN A CA 1 ATOM 832 C C . ASN A 1 108 ? 3.744 12.581 9.923 1.00 11.73 ? 128 ASN A C 1 ATOM 833 O O . ASN A 1 108 ? 3.249 11.587 9.408 1.00 11.00 ? 128 ASN A O 1 ATOM 834 C CB . ASN A 1 108 ? 2.813 13.169 12.145 1.00 15.13 ? 128 ASN A CB 1 ATOM 835 C CG . ASN A 1 108 ? 2.801 12.774 13.646 1.00 17.86 ? 128 ASN A CG 1 ATOM 836 O OD1 . ASN A 1 108 ? 3.725 12.110 14.157 1.00 17.02 ? 128 ASN A OD1 1 ATOM 837 N ND2 . ASN A 1 108 ? 1.716 13.171 14.348 1.00 19.26 ? 128 ASN A ND2 1 ATOM 838 N N . ALA A 1 109 ? 3.989 13.702 9.240 1.00 10.65 ? 129 ALA A N 1 ATOM 839 C CA . ALA A 1 109 ? 3.802 13.718 7.793 1.00 11.41 ? 129 ALA A CA 1 ATOM 840 C C . ALA A 1 109 ? 4.564 12.554 7.115 1.00 11.36 ? 129 ALA A C 1 ATOM 841 O O . ALA A 1 109 ? 4.018 11.893 6.251 1.00 10.64 ? 129 ALA A O 1 ATOM 842 C CB . ALA A 1 109 ? 4.170 15.065 7.162 1.00 10.57 ? 129 ALA A CB 1 ATOM 843 N N . LEU A 1 110 ? 5.821 12.350 7.500 1.00 11.43 ? 130 LEU A N 1 ATOM 844 C CA . LEU A 1 110 ? 6.628 11.322 6.886 1.00 10.31 ? 130 LEU A CA 1 ATOM 845 C C . LEU A 1 110 ? 6.100 9.954 7.245 1.00 10.56 ? 130 LEU A C 1 ATOM 846 O O . LEU A 1 110 ? 6.053 9.053 6.381 1.00 9.41 ? 130 LEU A O 1 ATOM 847 C CB . LEU A 1 110 ? 8.093 11.450 7.287 1.00 10.79 ? 130 LEU A CB 1 ATOM 848 C CG . LEU A 1 110 ? 9.031 10.380 6.784 1.00 10.32 ? 130 LEU A CG 1 ATOM 849 C CD1 . LEU A 1 110 ? 8.973 10.213 5.278 1.00 10.74 ? 130 LEU A CD1 1 ATOM 850 C CD2 . LEU A 1 110 ? 10.486 10.725 7.194 1.00 12.83 ? 130 LEU A CD2 1 ATOM 851 N N . LYS A 1 111 ? 5.706 9.764 8.516 1.00 10.24 ? 131 LYS A N 1 ATOM 852 C CA . LYS A 1 111 ? 5.135 8.472 8.885 1.00 10.60 ? 131 LYS A CA 1 ATOM 853 C C . LYS A 1 111 ? 3.841 8.141 8.112 1.00 9.75 ? 131 LYS A C 1 ATOM 854 O O . LYS A 1 111 ? 3.618 6.998 7.714 1.00 9.48 ? 131 LYS A O 1 ATOM 855 C CB . LYS A 1 111 ? 4.910 8.443 10.409 1.00 11.16 ? 131 LYS A CB 1 ATOM 856 C CG . LYS A 1 111 ? 6.215 8.572 11.199 1.00 11.22 ? 131 LYS A CG 1 ATOM 857 C CD . LYS A 1 111 ? 6.054 8.159 12.657 1.00 13.07 ? 131 LYS A CD 1 ATOM 858 C CE . LYS A 1 111 ? 5.225 9.110 13.471 1.00 15.77 ? 131 LYS A CE 1 ATOM 859 N NZ . LYS A 1 111 ? 5.296 8.760 14.949 1.00 17.95 ? 131 LYS A NZ 1 ATOM 860 N N . PHE A 1 112 ? 3.021 9.150 7.926 1.00 8.88 ? 132 PHE A N 1 ATOM 861 C CA . PHE A 1 112 ? 1.818 9.011 7.126 1.00 8.84 ? 132 PHE A CA 1 ATOM 862 C C . PHE A 1 112 ? 2.119 8.630 5.659 1.00 9.49 ? 132 PHE A C 1 ATOM 863 O O . PHE A 1 112 ? 1.475 7.762 5.097 1.00 8.73 ? 132 PHE A O 1 ATOM 864 C CB . PHE A 1 112 ? 0.996 10.288 7.101 1.00 9.30 ? 132 PHE A CB 1 ATOM 865 C CG . PHE A 1 112 ? 0.050 10.435 8.269 1.00 9.55 ? 132 PHE A CG 1 ATOM 866 C CD1 . PHE A 1 112 ? -0.939 9.461 8.489 1.00 10.54 ? 132 PHE A CD1 1 ATOM 867 C CD2 . PHE A 1 112 ? 0.107 11.575 9.088 1.00 10.15 ? 132 PHE A CD2 1 ATOM 868 C CE1 . PHE A 1 112 ? -1.854 9.589 9.524 1.00 10.61 ? 132 PHE A CE1 1 ATOM 869 C CE2 . PHE A 1 112 ? -0.795 11.719 10.126 1.00 10.80 ? 132 PHE A CE2 1 ATOM 870 C CZ . PHE A 1 112 ? -1.799 10.743 10.352 1.00 10.82 ? 132 PHE A CZ 1 ATOM 871 N N . VAL A 1 113 ? 3.072 9.334 5.035 1.00 9.58 ? 133 VAL A N 1 ATOM 872 C CA . VAL A 1 113 ? 3.419 9.030 3.627 1.00 10.07 ? 133 VAL A CA 1 ATOM 873 C C . VAL A 1 113 ? 3.894 7.572 3.452 1.00 9.59 ? 133 VAL A C 1 ATOM 874 O O . VAL A 1 113 ? 3.485 6.833 2.547 1.00 8.81 ? 133 VAL A O 1 ATOM 875 C CB . VAL A 1 113 ? 4.422 10.067 3.128 1.00 11.16 ? 133 VAL A CB 1 ATOM 876 C CG1 . VAL A 1 113 ? 5.015 9.660 1.774 1.00 11.85 ? 133 VAL A CG1 1 ATOM 877 C CG2 . VAL A 1 113 ? 3.749 11.433 3.000 1.00 11.92 ? 133 VAL A CG2 1 ATOM 878 N N . VAL A 1 114 ? 4.769 7.146 4.366 1.00 9.96 ? 134 VAL A N 1 ATOM 879 C CA . VAL A 1 114 ? 5.281 5.791 4.326 1.00 9.20 ? 134 VAL A CA 1 ATOM 880 C C . VAL A 1 114 ? 4.133 4.781 4.374 1.00 9.55 ? 134 VAL A C 1 ATOM 881 O O . VAL A 1 114 ? 4.111 3.771 3.640 1.00 9.68 ? 134 VAL A O 1 ATOM 882 C CB . VAL A 1 114 ? 6.300 5.544 5.457 1.00 9.55 ? 134 VAL A CB 1 ATOM 883 C CG1 . VAL A 1 114 ? 6.653 4.053 5.582 1.00 9.94 ? 134 VAL A CG1 1 ATOM 884 C CG2 . VAL A 1 114 ? 7.563 6.335 5.236 1.00 9.90 ? 134 VAL A CG2 1 ATOM 885 N N . HIS A 1 115 ? 3.216 5.000 5.299 1.00 8.37 ? 135 HIS A N 1 ATOM 886 C CA . HIS A 1 115 ? 2.080 4.067 5.477 1.00 7.94 ? 135 HIS A CA 1 ATOM 887 C C . HIS A 1 115 ? 1.065 4.107 4.359 1.00 7.30 ? 135 HIS A C 1 ATOM 888 O O . HIS A 1 115 ? 0.708 3.071 3.769 1.00 6.68 ? 135 HIS A O 1 ATOM 889 C CB . HIS A 1 115 ? 1.416 4.340 6.822 1.00 7.87 ? 135 HIS A CB 1 ATOM 890 C CG . HIS A 1 115 ? 0.309 3.409 7.127 1.00 7.06 ? 135 HIS A CG 1 ATOM 891 N ND1 . HIS A 1 115 ? 0.492 2.282 7.876 1.00 6.98 ? 135 HIS A ND1 1 ATOM 892 C CD2 . HIS A 1 115 ? -0.996 3.426 6.778 1.00 6.89 ? 135 HIS A CD2 1 ATOM 893 C CE1 . HIS A 1 115 ? -0.640 1.624 7.980 1.00 6.66 ? 135 HIS A CE1 1 ATOM 894 N NE2 . HIS A 1 115 ? -1.573 2.311 7.353 1.00 6.46 ? 135 HIS A NE2 1 ATOM 895 N N . ILE A 1 116 ? 0.681 5.319 4.000 1.00 7.52 ? 136 ILE A N 1 ATOM 896 C CA . ILE A 1 116 ? -0.443 5.524 3.073 1.00 8.36 ? 136 ILE A CA 1 ATOM 897 C C . ILE A 1 116 ? -0.045 5.125 1.670 1.00 8.69 ? 136 ILE A C 1 ATOM 898 O O . ILE A 1 116 ? -0.860 4.533 0.942 1.00 8.43 ? 136 ILE A O 1 ATOM 899 C CB . ILE A 1 116 ? -1.021 6.934 3.157 1.00 8.61 ? 136 ILE A CB 1 ATOM 900 C CG1 . ILE A 1 116 ? -1.578 7.166 4.558 1.00 8.80 ? 136 ILE A CG1 1 ATOM 901 C CG2 . ILE A 1 116 ? -2.057 7.106 2.051 1.00 8.95 ? 136 ILE A CG2 1 ATOM 902 C CD1 . ILE A 1 116 ? -2.056 8.589 4.803 1.00 9.39 ? 136 ILE A CD1 1 ATOM 903 N N . ILE A 1 117 ? 1.197 5.338 1.252 1.00 9.30 ? 137 ILE A N 1 ATOM 904 C CA . ILE A 1 117 ? 1.577 4.852 -0.115 1.00 9.85 ? 137 ILE A CA 1 ATOM 905 C C . ILE A 1 117 ? 1.420 3.322 -0.108 1.00 9.81 ? 137 ILE A C 1 ATOM 906 O O . ILE A 1 117 ? 0.992 2.728 -1.097 1.00 10.29 ? 137 ILE A O 1 ATOM 907 C CB . ILE A 1 117 ? 2.978 5.368 -0.593 1.00 10.78 ? 137 ILE A CB 1 ATOM 908 C CG1 . ILE A 1 117 ? 2.862 6.867 -0.801 1.00 11.01 ? 137 ILE A CG1 1 ATOM 909 C CG2 . ILE A 1 117 ? 3.388 4.695 -1.897 1.00 11.42 ? 137 ILE A CG2 1 ATOM 910 C CD1 . ILE A 1 117 ? 4.069 7.584 -1.307 1.00 11.34 ? 137 ILE A CD1 1 ATOM 911 N N . GLY A 1 118 ? 1.699 2.657 1.042 1.00 9.75 ? 138 GLY A N 1 ATOM 912 C CA . GLY A 1 118 ? 1.469 1.213 1.101 1.00 9.34 ? 138 GLY A CA 1 ATOM 913 C C . GLY A 1 118 ? -0.034 0.935 0.909 1.00 9.14 ? 138 GLY A C 1 ATOM 914 O O . GLY A 1 118 ? -0.418 0.045 0.115 1.00 10.36 ? 138 GLY A O 1 ATOM 915 N N . ASP A 1 119 ? -0.859 1.569 1.694 1.00 9.08 ? 139 ASP A N 1 ATOM 916 C CA . ASP A 1 119 ? -2.323 1.311 1.656 1.00 8.93 ? 139 ASP A CA 1 ATOM 917 C C . ASP A 1 119 ? -2.968 1.528 0.298 1.00 9.20 ? 139 ASP A C 1 ATOM 918 O O . ASP A 1 119 ? -3.834 0.741 -0.089 1.00 8.80 ? 139 ASP A O 1 ATOM 919 C CB . ASP A 1 119 ? -3.119 2.114 2.686 1.00 9.69 ? 139 ASP A CB 1 ATOM 920 C CG . ASP A 1 119 ? -3.149 1.469 4.051 1.00 9.30 ? 139 ASP A CG 1 ATOM 921 O OD1 . ASP A 1 119 ? -2.837 0.228 4.173 1.00 9.65 ? 139 ASP A OD1 1 ATOM 922 O OD2 . ASP A 1 119 ? -3.463 2.197 5.037 1.00 9.00 ? 139 ASP A OD2 1 ATOM 923 N N . ILE A 1 120 ? -2.467 2.502 -0.451 1.00 8.81 ? 140 ILE A N 1 ATOM 924 C CA . ILE A 1 120 ? -2.963 2.810 -1.775 1.00 9.34 ? 140 ILE A CA 1 ATOM 925 C C . ILE A 1 120 ? -2.818 1.580 -2.681 1.00 8.86 ? 140 ILE A C 1 ATOM 926 O O . ILE A 1 120 ? -3.647 1.389 -3.568 1.00 10.06 ? 140 ILE A O 1 ATOM 927 C CB . ILE A 1 120 ? -2.330 4.079 -2.335 1.00 9.21 ? 140 ILE A CB 1 ATOM 928 C CG1 . ILE A 1 120 ? -2.887 5.289 -1.616 1.00 9.84 ? 140 ILE A CG1 1 ATOM 929 C CG2 . ILE A 1 120 ? -2.595 4.225 -3.830 1.00 11.62 ? 140 ILE A CG2 1 ATOM 930 C CD1 . ILE A 1 120 ? -2.112 6.619 -1.896 1.00 10.66 ? 140 ILE A CD1 1 ATOM 931 N N . HIS A 1 121 ? -1.791 0.793 -2.461 1.00 8.57 ? 141 HIS A N 1 ATOM 932 C CA . HIS A 1 121 ? -1.567 -0.410 -3.244 1.00 8.85 ? 141 HIS A CA 1 ATOM 933 C C . HIS A 1 121 ? -2.297 -1.669 -2.856 1.00 8.69 ? 141 HIS A C 1 ATOM 934 O O . HIS A 1 121 ? -2.175 -2.666 -3.516 1.00 9.04 ? 141 HIS A O 1 ATOM 935 C CB . HIS A 1 121 ? -0.033 -0.605 -3.350 1.00 8.87 ? 141 HIS A CB 1 ATOM 936 C CG . HIS A 1 121 ? 0.590 0.412 -4.213 1.00 8.55 ? 141 HIS A CG 1 ATOM 937 N ND1 . HIS A 1 121 ? 0.923 1.674 -3.746 1.00 9.20 ? 141 HIS A ND1 1 ATOM 938 C CD2 . HIS A 1 121 ? 0.805 0.432 -5.538 1.00 9.01 ? 141 HIS A CD2 1 ATOM 939 C CE1 . HIS A 1 121 ? 1.364 2.405 -4.756 1.00 8.80 ? 141 HIS A CE1 1 ATOM 940 N NE2 . HIS A 1 121 ? 1.314 1.666 -5.846 1.00 9.20 ? 141 HIS A NE2 1 ATOM 941 N N . GLN A 1 122 ? -3.062 -1.655 -1.748 1.00 8.94 ? 142 GLN A N 1 ATOM 942 C CA . GLN A 1 122 ? -3.927 -2.754 -1.368 1.00 9.43 ? 142 GLN A CA 1 ATOM 943 C C . GLN A 1 122 ? -5.231 -2.489 -2.132 1.00 9.99 ? 142 GLN A C 1 ATOM 944 O O . GLN A 1 122 ? -5.897 -1.529 -1.843 1.00 9.96 ? 142 GLN A O 1 ATOM 945 C CB . GLN A 1 122 ? -4.098 -2.788 0.144 1.00 8.95 ? 142 GLN A CB 1 ATOM 946 C CG . GLN A 1 122 ? -4.432 -4.159 0.717 1.00 9.65 ? 142 GLN A CG 1 ATOM 947 C CD . GLN A 1 122 ? -5.857 -4.662 0.485 1.00 9.28 ? 142 GLN A CD 1 ATOM 948 O OE1 . GLN A 1 122 ? -6.322 -4.784 -0.653 1.00 10.33 ? 142 GLN A OE1 1 ATOM 949 N NE2 . GLN A 1 122 ? -6.556 -5.001 1.590 1.00 9.74 ? 142 GLN A NE2 1 ATOM 950 N N . PRO A 1 123 ? -5.598 -3.352 -3.139 1.00 10.99 ? 143 PRO A N 1 ATOM 951 C CA . PRO A 1 123 ? -6.709 -3.005 -4.001 1.00 10.47 ? 143 PRO A CA 1 ATOM 952 C C . PRO A 1 123 ? -8.010 -2.715 -3.220 1.00 10.71 ? 143 PRO A C 1 ATOM 953 O O . PRO A 1 123 ? -8.779 -1.835 -3.630 1.00 10.33 ? 143 PRO A O 1 ATOM 954 C CB . PRO A 1 123 ? -6.892 -4.274 -4.864 1.00 10.53 ? 143 PRO A CB 1 ATOM 955 C CG . PRO A 1 123 ? -5.566 -4.869 -4.889 1.00 10.49 ? 143 PRO A CG 1 ATOM 956 C CD . PRO A 1 123 ? -4.947 -4.620 -3.569 1.00 10.44 ? 143 PRO A CD 1 ATOM 957 N N . LEU A 1 124 ? -8.269 -3.430 -2.127 1.00 10.26 ? 144 LEU A N 1 ATOM 958 C CA . LEU A 1 124 ? -9.501 -3.194 -1.377 1.00 10.69 ? 144 LEU A CA 1 ATOM 959 C C . LEU A 1 124 ? -9.521 -1.876 -0.544 1.00 10.89 ? 144 LEU A C 1 ATOM 960 O O . LEU A 1 124 ? -10.592 -1.488 -0.042 1.00 12.72 ? 144 LEU A O 1 ATOM 961 C CB . LEU A 1 124 ? -9.851 -4.405 -0.538 1.00 10.54 ? 144 LEU A CB 1 ATOM 962 C CG . LEU A 1 124 ? -10.377 -5.588 -1.320 1.00 11.39 ? 144 LEU A CG 1 ATOM 963 C CD1 . LEU A 1 124 ? -10.423 -6.834 -0.461 1.00 12.03 ? 144 LEU A CD1 1 ATOM 964 C CD2 . LEU A 1 124 ? -11.742 -5.318 -1.973 1.00 12.69 ? 144 LEU A CD2 1 ATOM 965 N N . HIS A 1 125 ? -8.369 -1.202 -0.414 1.00 9.48 ? 145 HIS A N 1 ATOM 966 C CA . HIS A 1 125 ? -8.297 0.156 0.078 1.00 9.56 ? 145 HIS A CA 1 ATOM 967 C C . HIS A 1 125 ? -8.670 1.191 -1.012 1.00 9.67 ? 145 HIS A C 1 ATOM 968 O O . HIS A 1 125 ? -8.599 2.420 -0.776 1.00 10.13 ? 145 HIS A O 1 ATOM 969 C CB . HIS A 1 125 ? -6.862 0.428 0.622 1.00 10.83 ? 145 HIS A CB 1 ATOM 970 C CG . HIS A 1 125 ? -6.637 -0.125 1.999 1.00 9.91 ? 145 HIS A CG 1 ATOM 971 N ND1 . HIS A 1 125 ? -6.416 0.680 3.086 1.00 9.88 ? 145 HIS A ND1 1 ATOM 972 C CD2 . HIS A 1 125 ? -6.647 -1.397 2.460 1.00 10.56 ? 145 HIS A CD2 1 ATOM 973 C CE1 . HIS A 1 125 ? -6.298 -0.060 4.169 1.00 11.02 ? 145 HIS A CE1 1 ATOM 974 N NE2 . HIS A 1 125 ? -6.437 -1.338 3.816 1.00 10.41 ? 145 HIS A NE2 1 ATOM 975 N N . ASP A 1 126 ? -8.952 0.736 -2.231 1.00 9.09 ? 146 ASP A N 1 ATOM 976 C CA . ASP A 1 126 ? -9.428 1.594 -3.308 1.00 9.94 ? 146 ASP A CA 1 ATOM 977 C C . ASP A 1 126 ? -10.791 1.116 -3.814 1.00 10.65 ? 146 ASP A C 1 ATOM 978 O O . ASP A 1 126 ? -11.023 1.095 -5.027 1.00 11.20 ? 146 ASP A O 1 ATOM 979 C CB . ASP A 1 126 ? -8.473 1.646 -4.471 1.00 9.88 ? 146 ASP A CB 1 ATOM 980 C CG . ASP A 1 126 ? -7.074 1.928 -4.054 1.00 10.26 ? 146 ASP A CG 1 ATOM 981 O OD1 . ASP A 1 126 ? -6.767 3.054 -3.727 1.00 10.91 ? 146 ASP A OD1 1 ATOM 982 O OD2 . ASP A 1 126 ? -6.249 1.002 -4.104 1.00 11.30 ? 146 ASP A OD2 1 ATOM 983 N N . GLU A 1 127 ? -11.655 0.713 -2.892 1.00 10.61 ? 147 GLU A N 1 ATOM 984 C CA . GLU A 1 127 ? -12.987 0.116 -3.232 1.00 11.44 ? 147 GLU A CA 1 ATOM 985 C C . GLU A 1 127 ? -13.990 0.331 -2.130 1.00 11.91 ? 147 GLU A C 1 ATOM 986 O O . GLU A 1 127 ? -13.782 0.019 -0.985 1.00 11.81 ? 147 GLU A O 1 ATOM 987 C CB . GLU A 1 127 ? -12.825 -1.379 -3.509 1.00 12.16 ? 147 GLU A CB 1 ATOM 988 C CG . GLU A 1 127 ? -14.101 -2.144 -3.803 1.00 13.70 ? 147 GLU A CG 1 ATOM 989 C CD . GLU A 1 127 ? -14.892 -1.519 -4.909 1.00 14.55 ? 147 GLU A CD 1 ATOM 990 O OE1 . GLU A 1 127 ? -14.250 -1.246 -5.972 1.00 15.96 ? 147 GLU A OE1 1 ATOM 991 O OE2 . GLU A 1 127 ? -16.162 -1.254 -4.709 1.00 15.61 ? 147 GLU A OE2 1 ATOM 992 N N . ASN A 1 128 ? -15.160 0.833 -2.503 1.00 12.56 ? 148 ASN A N 1 ATOM 993 C CA . ASN A 1 128 ? -16.200 1.139 -1.513 1.00 13.32 ? 148 ASN A CA 1 ATOM 994 C C . ASN A 1 128 ? -16.935 -0.103 -1.071 1.00 13.35 ? 148 ASN A C 1 ATOM 995 O O . ASN A 1 128 ? -17.328 -0.183 0.104 1.00 14.10 ? 148 ASN A O 1 ATOM 996 C CB . ASN A 1 128 ? -17.238 2.112 -2.104 1.00 15.30 ? 148 ASN A CB 1 ATOM 997 C CG . ASN A 1 128 ? -18.220 2.582 -1.074 1.00 16.73 ? 148 ASN A CG 1 ATOM 998 O OD1 . ASN A 1 128 ? -17.816 3.108 -0.069 1.00 15.51 ? 148 ASN A OD1 1 ATOM 999 N ND2 . ASN A 1 128 ? -19.527 2.370 -1.318 1.00 16.98 ? 148 ASN A ND2 1 ATOM 1000 N N . LEU A 1 129 ? -17.168 -1.029 -1.991 1.00 13.88 ? 149 LEU A N 1 ATOM 1001 C CA . LEU A 1 129 ? -18.024 -2.171 -1.724 1.00 15.59 ? 149 LEU A CA 1 ATOM 1002 C C . LEU A 1 129 ? -17.822 -2.803 -0.358 1.00 14.91 ? 149 LEU A C 1 ATOM 1003 O O . LEU A 1 129 ? -16.713 -3.307 -0.066 1.00 12.92 ? 149 LEU A O 1 ATOM 1004 C CB . LEU A 1 129 ? -17.826 -3.282 -2.796 1.00 18.32 ? 149 LEU A CB 1 ATOM 1005 C CG . LEU A 1 129 ? -18.684 -4.554 -2.604 1.00 20.26 ? 149 LEU A CG 1 ATOM 1006 C CD1 . LEU A 1 129 ? -20.168 -4.212 -2.783 1.00 22.40 ? 149 LEU A CD1 1 ATOM 1007 C CD2 . LEU A 1 129 ? -18.337 -5.692 -3.540 1.00 20.43 ? 149 LEU A CD2 1 ATOM 1008 N N . GLU A 1 130 ? -18.903 -2.862 0.443 1.00 14.47 ? 150 GLU A N 1 ATOM 1009 C CA . GLU A 1 130 ? -18.919 -3.579 1.744 1.00 15.24 ? 150 GLU A CA 1 ATOM 1010 C C . GLU A 1 130 ? -17.758 -3.121 2.626 1.00 14.81 ? 150 GLU A C 1 ATOM 1011 O O . GLU A 1 130 ? -17.042 -3.933 3.199 1.00 14.86 ? 150 GLU A O 1 ATOM 1012 C CB . GLU A 1 130 ? -18.814 -5.102 1.524 1.00 17.80 ? 150 GLU A CB 1 ATOM 1013 C CG . GLU A 1 130 ? -20.000 -5.659 0.774 1.00 21.56 ? 150 GLU A CG 1 ATOM 1014 C CD . GLU A 1 130 ? -21.117 -6.114 1.697 1.00 28.18 ? 150 GLU A CD 1 ATOM 1015 O OE1 . GLU A 1 130 ? -21.925 -6.943 1.212 1.00 41.39 ? 150 GLU A OE1 1 ATOM 1016 O OE2 . GLU A 1 130 ? -21.148 -5.712 2.887 1.00 28.55 ? 150 GLU A OE2 1 ATOM 1017 N N . ALA A 1 131 ? -17.536 -1.830 2.625 1.00 12.99 ? 151 ALA A N 1 ATOM 1018 C CA . ALA A 1 131 ? -16.408 -1.235 3.356 1.00 12.75 ? 151 ALA A CA 1 ATOM 1019 C C . ALA A 1 131 ? -15.057 -1.845 3.001 1.00 11.39 ? 151 ALA A C 1 ATOM 1020 O O . ALA A 1 131 ? -14.354 -2.354 3.859 1.00 11.60 ? 151 ALA A O 1 ATOM 1021 C CB . ALA A 1 131 ? -16.674 -1.257 4.835 1.00 13.91 ? 151 ALA A CB 1 ATOM 1022 N N . GLY A 1 132 ? -14.688 -1.752 1.725 1.00 11.61 ? 152 GLY A N 1 ATOM 1023 C CA . GLY A 1 132 ? -13.500 -2.398 1.184 1.00 11.79 ? 152 GLY A CA 1 ATOM 1024 C C . GLY A 1 132 ? -13.449 -3.908 1.368 1.00 11.81 ? 152 GLY A C 1 ATOM 1025 O O . GLY A 1 132 ? -12.400 -4.478 1.623 1.00 10.42 ? 152 GLY A O 1 ATOM 1026 N N . GLY A 1 133 ? -14.625 -4.540 1.343 1.00 11.86 ? 153 GLY A N 1 ATOM 1027 C CA . GLY A 1 133 ? -14.732 -5.990 1.575 1.00 11.57 ? 153 GLY A CA 1 ATOM 1028 C C . GLY A 1 133 ? -14.697 -6.441 3.025 1.00 12.18 ? 153 GLY A C 1 ATOM 1029 O O . GLY A 1 133 ? -14.671 -7.646 3.277 1.00 12.33 ? 153 GLY A O 1 ATOM 1030 N N . ASN A 1 134 ? -14.601 -5.509 3.992 1.00 12.61 ? 154 ASN A N 1 ATOM 1031 C CA . ASN A 1 134 ? -14.672 -5.892 5.406 1.00 14.43 ? 154 ASN A CA 1 ATOM 1032 C C . ASN A 1 134 ? -15.991 -6.620 5.743 1.00 15.63 ? 154 ASN A C 1 ATOM 1033 O O . ASN A 1 134 ? -16.047 -7.498 6.610 1.00 14.52 ? 154 ASN A O 1 ATOM 1034 C CB . ASN A 1 134 ? -14.478 -4.657 6.309 1.00 15.40 ? 154 ASN A CB 1 ATOM 1035 C CG . ASN A 1 134 ? -13.022 -4.311 6.509 1.00 14.91 ? 154 ASN A CG 1 ATOM 1036 O OD1 . ASN A 1 134 ? -12.315 -5.018 7.199 1.00 16.72 ? 154 ASN A OD1 1 ATOM 1037 N ND2 . ASN A 1 134 ? -12.585 -3.178 5.982 1.00 15.92 ? 154 ASN A ND2 1 ATOM 1038 N N . GLY A 1 135 ? -17.062 -6.248 5.025 1.00 16.17 ? 155 GLY A N 1 ATOM 1039 C CA . GLY A 1 135 ? -18.360 -6.825 5.266 1.00 16.34 ? 155 GLY A CA 1 ATOM 1040 C C . GLY A 1 135 ? -18.599 -8.129 4.521 1.00 17.22 ? 155 GLY A C 1 ATOM 1041 O O . GLY A 1 135 ? -19.718 -8.677 4.566 1.00 17.80 ? 155 GLY A O 1 ATOM 1042 N N . ILE A 1 136 ? -17.603 -8.638 3.815 1.00 15.54 ? 156 ILE A N 1 ATOM 1043 C CA . ILE A 1 136 ? -17.715 -9.936 3.073 1.00 15.38 ? 156 ILE A CA 1 ATOM 1044 C C . ILE A 1 136 ? -17.058 -11.024 3.884 1.00 15.06 ? 156 ILE A C 1 ATOM 1045 O O . ILE A 1 136 ? -15.827 -11.173 3.889 1.00 15.69 ? 156 ILE A O 1 ATOM 1046 C CB . ILE A 1 136 ? -17.090 -9.859 1.667 1.00 15.84 ? 156 ILE A CB 1 ATOM 1047 C CG1 . ILE A 1 136 ? -17.756 -8.757 0.833 1.00 17.40 ? 156 ILE A CG1 1 ATOM 1048 C CG2 . ILE A 1 136 ? -17.186 -11.198 0.902 1.00 17.22 ? 156 ILE A CG2 1 ATOM 1049 C CD1 . ILE A 1 136 ? -17.140 -8.482 -0.535 1.00 17.45 ? 156 ILE A CD1 1 ATOM 1050 N N . ASP A 1 137 ? -17.855 -11.879 4.503 1.00 16.15 ? 157 ASP A N 1 ATOM 1051 C CA . ASP A 1 137 ? -17.324 -12.989 5.274 1.00 17.19 ? 157 ASP A CA 1 ATOM 1052 C C . ASP A 1 137 ? -16.821 -14.076 4.342 1.00 16.23 ? 157 ASP A C 1 ATOM 1053 O O . ASP A 1 137 ? -17.470 -14.412 3.378 1.00 16.99 ? 157 ASP A O 1 ATOM 1054 C CB . ASP A 1 137 ? -18.380 -13.590 6.207 1.00 21.21 ? 157 ASP A CB 1 ATOM 1055 C CG . ASP A 1 137 ? -18.897 -12.597 7.193 0.50 22.04 ? 157 ASP A CG 1 ATOM 1056 O OD1 . ASP A 1 137 ? -18.093 -11.887 7.822 0.50 23.72 ? 157 ASP A OD1 1 ATOM 1057 O OD2 . ASP A 1 137 ? -20.122 -12.515 7.301 0.50 27.71 ? 157 ASP A OD2 1 ATOM 1058 N N . VAL A 1 138 ? -15.674 -14.636 4.664 1.00 14.44 ? 158 VAL A N 1 ATOM 1059 C CA . VAL A 1 138 ? -15.085 -15.725 3.907 1.00 14.92 ? 158 VAL A CA 1 ATOM 1060 C C . VAL A 1 138 ? -14.491 -16.806 4.830 1.00 15.61 ? 158 VAL A C 1 ATOM 1061 O O . VAL A 1 138 ? -14.294 -16.603 6.020 1.00 17.35 ? 158 VAL A O 1 ATOM 1062 C CB . VAL A 1 138 ? -13.928 -15.181 2.966 1.00 14.75 ? 158 VAL A CB 1 ATOM 1063 C CG1 . VAL A 1 138 ? -14.451 -14.084 2.051 1.00 14.60 ? 158 VAL A CG1 1 ATOM 1064 C CG2 . VAL A 1 138 ? -12.689 -14.752 3.771 1.00 15.12 ? 158 VAL A CG2 1 ATOM 1065 N N . THR A 1 139 ? -14.180 -17.945 4.253 1.00 15.60 ? 159 THR A N 1 ATOM 1066 C CA . THR A 1 139 ? -13.413 -19.001 4.886 1.00 16.23 ? 159 THR A CA 1 ATOM 1067 C C . THR A 1 139 ? -12.005 -18.988 4.354 1.00 15.34 ? 159 THR A C 1 ATOM 1068 O O . THR A 1 139 ? -11.800 -18.966 3.157 1.00 14.80 ? 159 THR A O 1 ATOM 1069 C CB . THR A 1 139 ? -14.066 -20.382 4.631 1.00 18.15 ? 159 THR A CB 1 ATOM 1070 O OG1 . THR A 1 139 ? -15.405 -20.360 5.134 1.00 17.63 ? 159 THR A OG1 1 ATOM 1071 C CG2 . THR A 1 139 ? -13.287 -21.559 5.298 1.00 19.89 ? 159 THR A CG2 1 ATOM 1072 N N . TYR A 1 140 ? -11.041 -19.066 5.244 1.00 15.39 ? 160 TYR A N 1 ATOM 1073 C CA . TYR A 1 140 ? -9.639 -19.137 4.900 1.00 16.69 ? 160 TYR A CA 1 ATOM 1074 C C . TYR A 1 140 ? -8.949 -20.164 5.778 1.00 16.56 ? 160 TYR A C 1 ATOM 1075 O O . TYR A 1 140 ? -8.851 -20.010 6.981 1.00 16.21 ? 160 TYR A O 1 ATOM 1076 C CB . TYR A 1 140 ? -8.939 -17.764 5.060 1.00 17.04 ? 160 TYR A CB 1 ATOM 1077 C CG . TYR A 1 140 ? -7.599 -17.746 4.357 1.00 17.08 ? 160 TYR A CG 1 ATOM 1078 C CD1 . TYR A 1 140 ? -6.446 -18.184 4.971 1.00 18.04 ? 160 TYR A CD1 1 ATOM 1079 C CD2 . TYR A 1 140 ? -7.517 -17.369 3.007 1.00 18.51 ? 160 TYR A CD2 1 ATOM 1080 C CE1 . TYR A 1 140 ? -5.221 -18.195 4.290 1.00 18.69 ? 160 TYR A CE1 1 ATOM 1081 C CE2 . TYR A 1 140 ? -6.320 -17.350 2.335 1.00 16.47 ? 160 TYR A CE2 1 ATOM 1082 C CZ . TYR A 1 140 ? -5.176 -17.744 2.971 1.00 17.67 ? 160 TYR A CZ 1 ATOM 1083 O OH . TYR A 1 140 ? -3.992 -17.768 2.232 1.00 21.41 ? 160 TYR A OH 1 ATOM 1084 N N . ASP A 1 141 ? -8.411 -21.180 5.131 1.00 18.81 ? 161 ASP A N 1 ATOM 1085 C CA . ASP A 1 141 ? -7.722 -22.293 5.809 1.00 20.19 ? 161 ASP A CA 1 ATOM 1086 C C . ASP A 1 141 ? -8.548 -22.834 6.979 1.00 20.40 ? 161 ASP A C 1 ATOM 1087 O O . ASP A 1 141 ? -8.042 -23.016 8.093 1.00 19.38 ? 161 ASP A O 1 ATOM 1088 C CB . ASP A 1 141 ? -6.310 -21.872 6.270 1.00 22.77 ? 161 ASP A CB 1 ATOM 1089 C CG . ASP A 1 141 ? -5.436 -23.077 6.676 1.00 26.68 ? 161 ASP A CG 1 ATOM 1090 O OD1 . ASP A 1 141 ? -5.586 -24.171 6.085 1.00 28.35 ? 161 ASP A OD1 1 ATOM 1091 O OD2 . ASP A 1 141 ? -4.609 -22.913 7.598 1.00 31.47 ? 161 ASP A OD2 1 ATOM 1092 N N . GLY A 1 142 ? -9.833 -23.044 6.707 1.00 20.57 ? 162 GLY A N 1 ATOM 1093 C CA . GLY A 1 142 ? -10.725 -23.718 7.616 1.00 22.05 ? 162 GLY A CA 1 ATOM 1094 C C . GLY A 1 142 ? -11.355 -22.815 8.669 1.00 24.87 ? 162 GLY A C 1 ATOM 1095 O O . GLY A 1 142 ? -12.202 -23.295 9.463 1.00 24.99 ? 162 GLY A O 1 ATOM 1096 N N . GLU A 1 143 ? -10.995 -21.524 8.679 1.00 23.24 ? 163 GLU A N 1 ATOM 1097 C CA . GLU A 1 143 ? -11.542 -20.558 9.658 1.00 21.73 ? 163 GLU A CA 1 ATOM 1098 C C . GLU A 1 143 ? -12.272 -19.393 8.986 1.00 22.86 ? 163 GLU A C 1 ATOM 1099 O O . GLU A 1 143 ? -11.982 -19.043 7.825 1.00 20.67 ? 163 GLU A O 1 ATOM 1100 C CB . GLU A 1 143 ? -10.437 -20.013 10.544 1.00 23.97 ? 163 GLU A CB 1 ATOM 1101 C CG . GLU A 1 143 ? -9.649 -21.036 11.378 1.00 27.59 ? 163 GLU A CG 1 ATOM 1102 C CD . GLU A 1 143 ? -10.452 -21.889 12.346 0.50 25.68 ? 163 GLU A CD 1 ATOM 1103 O OE1 . GLU A 1 143 ? -9.988 -23.011 12.660 0.50 27.50 ? 163 GLU A OE1 1 ATOM 1104 O OE2 . GLU A 1 143 ? -11.520 -21.477 12.797 0.50 24.80 ? 163 GLU A OE2 1 ATOM 1105 N N . THR A 1 144 ? -13.231 -18.805 9.692 1.00 18.08 ? 164 THR A N 1 ATOM 1106 C CA . THR A 1 144 ? -14.016 -17.688 9.198 1.00 18.66 ? 164 THR A CA 1 ATOM 1107 C C . THR A 1 144 ? -13.269 -16.373 9.444 1.00 17.67 ? 164 THR A C 1 ATOM 1108 O O . THR A 1 144 ? -12.662 -16.156 10.502 1.00 18.71 ? 164 THR A O 1 ATOM 1109 C CB . THR A 1 144 ? -15.418 -17.657 9.858 1.00 19.86 ? 164 THR A CB 1 ATOM 1110 O OG1 . THR A 1 144 ? -16.072 -18.895 9.551 1.00 22.74 ? 164 THR A OG1 1 ATOM 1111 C CG2 . THR A 1 144 ? -16.274 -16.566 9.282 1.00 21.34 ? 164 THR A CG2 1 ATOM 1112 N N . THR A 1 145 ? -13.277 -15.517 8.439 1.00 15.43 ? 165 THR A N 1 ATOM 1113 C CA . THR A 1 145 ? -12.672 -14.204 8.542 1.00 14.86 ? 165 THR A CA 1 ATOM 1114 C C . THR A 1 145 ? -13.426 -13.336 7.541 1.00 13.43 ? 165 THR A C 1 ATOM 1115 O O . THR A 1 145 ? -14.574 -13.600 7.232 1.00 13.24 ? 165 THR A O 1 ATOM 1116 C CB . THR A 1 145 ? -11.147 -14.294 8.361 1.00 14.13 ? 165 THR A CB 1 ATOM 1117 O OG1 . THR A 1 145 ? -10.544 -12.986 8.453 1.00 15.74 ? 165 THR A OG1 1 ATOM 1118 C CG2 . THR A 1 145 ? -10.784 -14.853 7.011 1.00 14.93 ? 165 THR A CG2 1 ATOM 1119 N N . ASN A 1 146 ? -12.799 -12.309 6.992 1.00 13.71 ? 166 ASN A N 1 ATOM 1120 C CA . ASN A 1 146 ? -13.440 -11.526 5.916 1.00 13.19 ? 166 ASN A CA 1 ATOM 1121 C C . ASN A 1 146 ? -12.469 -11.232 4.778 1.00 12.71 ? 166 ASN A C 1 ATOM 1122 O O . ASN A 1 146 ? -11.252 -11.404 4.938 1.00 12.56 ? 166 ASN A O 1 ATOM 1123 C CB . ASN A 1 146 ? -14.021 -10.229 6.466 1.00 14.74 ? 166 ASN A CB 1 ATOM 1124 C CG . ASN A 1 146 ? -12.934 -9.246 6.926 1.00 15.92 ? 166 ASN A CG 1 ATOM 1125 O OD1 . ASN A 1 146 ? -12.267 -8.595 6.122 1.00 14.90 ? 166 ASN A OD1 1 ATOM 1126 N ND2 . ASN A 1 146 ? -12.813 -9.105 8.222 1.00 16.12 ? 166 ASN A ND2 1 ATOM 1127 N N . LEU A 1 147 ? -12.992 -10.795 3.654 1.00 12.45 ? 167 LEU A N 1 ATOM 1128 C CA . LEU A 1 147 ? -12.190 -10.649 2.429 1.00 12.06 ? 167 LEU A CA 1 ATOM 1129 C C . LEU A 1 147 ? -11.105 -9.605 2.570 1.00 11.46 ? 167 LEU A C 1 ATOM 1130 O O . LEU A 1 147 ? -9.952 -9.790 2.084 1.00 11.86 ? 167 LEU A O 1 ATOM 1131 C CB . LEU A 1 147 ? -13.087 -10.312 1.207 1.00 13.11 ? 167 LEU A CB 1 ATOM 1132 C CG . LEU A 1 147 ? -12.405 -10.328 -0.183 1.00 13.63 ? 167 LEU A CG 1 ATOM 1133 C CD1 . LEU A 1 147 ? -11.877 -11.724 -0.516 1.00 14.83 ? 167 LEU A CD1 1 ATOM 1134 C CD2 . LEU A 1 147 ? -13.344 -9.836 -1.263 1.00 14.43 ? 167 LEU A CD2 1 ATOM 1135 N N . HIS A 1 148 ? -11.448 -8.473 3.187 1.00 10.55 ? 168 HIS A N 1 ATOM 1136 C CA . HIS A 1 148 ? -10.454 -7.424 3.443 1.00 10.47 ? 168 HIS A CA 1 ATOM 1137 C C . HIS A 1 148 ? -9.254 -7.952 4.215 1.00 10.85 ? 168 HIS A C 1 ATOM 1138 O O . HIS A 1 148 ? -8.093 -7.714 3.896 1.00 11.97 ? 168 HIS A O 1 ATOM 1139 C CB . HIS A 1 148 ? -11.081 -6.264 4.181 1.00 11.28 ? 168 HIS A CB 1 ATOM 1140 C CG . HIS A 1 148 ? -10.196 -5.061 4.206 1.00 12.03 ? 168 HIS A CG 1 ATOM 1141 N ND1 . HIS A 1 148 ? -10.315 -4.033 3.303 1.00 13.16 ? 168 HIS A ND1 1 ATOM 1142 C CD2 . HIS A 1 148 ? -9.124 -4.777 4.962 1.00 11.75 ? 168 HIS A CD2 1 ATOM 1143 C CE1 . HIS A 1 148 ? -9.384 -3.137 3.541 1.00 13.62 ? 168 HIS A CE1 1 ATOM 1144 N NE2 . HIS A 1 148 ? -8.647 -3.567 4.540 1.00 12.51 ? 168 HIS A NE2 1 ATOM 1145 N N . HIS A 1 149 ? -9.555 -8.690 5.260 1.00 11.09 ? 169 HIS A N 1 ATOM 1146 C CA . HIS A 1 149 ? -8.563 -9.235 6.188 1.00 11.77 ? 169 HIS A CA 1 ATOM 1147 C C . HIS A 1 149 ? -7.590 -10.221 5.531 1.00 11.39 ? 169 HIS A C 1 ATOM 1148 O O . HIS A 1 149 ? -6.363 -10.193 5.821 1.00 12.08 ? 169 HIS A O 1 ATOM 1149 C CB . HIS A 1 149 ? -9.287 -9.941 7.344 1.00 12.42 ? 169 HIS A CB 1 ATOM 1150 C CG . HIS A 1 149 ? -8.423 -10.236 8.526 1.00 13.13 ? 169 HIS A CG 1 ATOM 1151 N ND1 . HIS A 1 149 ? -7.660 -11.370 8.620 1.00 14.24 ? 169 HIS A ND1 1 ATOM 1152 C CD2 . HIS A 1 149 ? -8.308 -9.604 9.724 1.00 14.52 ? 169 HIS A CD2 1 ATOM 1153 C CE1 . HIS A 1 149 ? -7.061 -11.405 9.806 1.00 15.22 ? 169 HIS A CE1 1 ATOM 1154 N NE2 . HIS A 1 149 ? -7.419 -10.333 10.487 1.00 15.05 ? 169 HIS A NE2 1 ATOM 1155 N N . ILE A 1 150 ? -8.090 -11.038 4.598 1.00 10.69 ? 170 ILE A N 1 ATOM 1156 C CA . ILE A 1 150 ? -7.182 -11.972 3.950 1.00 10.90 ? 170 ILE A CA 1 ATOM 1157 C C . ILE A 1 150 ? -6.192 -11.272 2.985 1.00 10.53 ? 170 ILE A C 1 ATOM 1158 O O . ILE A 1 150 ? -5.085 -11.735 2.832 1.00 9.86 ? 170 ILE A O 1 ATOM 1159 C CB . ILE A 1 150 ? -7.848 -13.200 3.298 1.00 11.98 ? 170 ILE A CB 1 ATOM 1160 C CG1 . ILE A 1 150 ? -8.559 -12.848 2.005 1.00 12.10 ? 170 ILE A CG1 1 ATOM 1161 C CG2 . ILE A 1 150 ? -8.755 -13.855 4.331 1.00 13.05 ? 170 ILE A CG2 1 ATOM 1162 C CD1 . ILE A 1 150 ? -8.994 -14.070 1.202 1.00 12.48 ? 170 ILE A CD1 1 ATOM 1163 N N . TRP A 1 151 ? -6.644 -10.186 2.357 1.00 10.81 ? 171 TRP A N 1 ATOM 1164 C CA . TRP A 1 151 ? -5.786 -9.315 1.561 1.00 10.67 ? 171 TRP A CA 1 ATOM 1165 C C . TRP A 1 151 ? -4.817 -8.566 2.445 1.00 10.82 ? 171 TRP A C 1 ATOM 1166 O O . TRP A 1 151 ? -3.622 -8.483 2.124 1.00 11.40 ? 171 TRP A O 1 ATOM 1167 C CB . TRP A 1 151 ? -6.589 -8.379 0.636 1.00 10.58 ? 171 TRP A CB 1 ATOM 1168 C CG . TRP A 1 151 ? -6.995 -9.142 -0.603 1.00 10.77 ? 171 TRP A CG 1 ATOM 1169 C CD1 . TRP A 1 151 ? -8.056 -9.917 -0.730 1.00 11.19 ? 171 TRP A CD1 1 ATOM 1170 C CD2 . TRP A 1 151 ? -6.288 -9.229 -1.828 1.00 11.78 ? 171 TRP A CD2 1 ATOM 1171 N NE1 . TRP A 1 151 ? -8.109 -10.477 -1.973 1.00 11.38 ? 171 TRP A NE1 1 ATOM 1172 C CE2 . TRP A 1 151 ? -6.985 -10.113 -2.649 1.00 11.59 ? 171 TRP A CE2 1 ATOM 1173 C CE3 . TRP A 1 151 ? -5.100 -8.697 -2.296 1.00 11.95 ? 171 TRP A CE3 1 ATOM 1174 C CZ2 . TRP A 1 151 ? -6.583 -10.398 -3.953 1.00 13.18 ? 171 TRP A CZ2 1 ATOM 1175 C CZ3 . TRP A 1 151 ? -4.696 -9.003 -3.603 1.00 12.79 ? 171 TRP A CZ3 1 ATOM 1176 C CH2 . TRP A 1 151 ? -5.425 -9.856 -4.397 1.00 12.56 ? 171 TRP A CH2 1 ATOM 1177 N N . ASP A 1 152 ? -5.298 -7.967 3.545 1.00 10.24 ? 172 ASP A N 1 ATOM 1178 C CA . ASP A 1 152 ? -4.374 -7.235 4.433 1.00 10.34 ? 172 ASP A CA 1 ATOM 1179 C C . ASP A 1 152 ? -3.282 -8.097 5.078 1.00 10.42 ? 172 ASP A C 1 ATOM 1180 O O . ASP A 1 152 ? -2.131 -7.641 5.256 1.00 11.08 ? 172 ASP A O 1 ATOM 1181 C CB . ASP A 1 152 ? -5.118 -6.540 5.584 1.00 9.44 ? 172 ASP A CB 1 ATOM 1182 C CG . ASP A 1 152 ? -5.618 -5.085 5.225 1.00 10.55 ? 172 ASP A CG 1 ATOM 1183 O OD1 . ASP A 1 152 ? -5.287 -4.502 4.143 1.00 9.45 ? 172 ASP A OD1 1 ATOM 1184 O OD2 . ASP A 1 152 ? -6.275 -4.524 6.114 1.00 12.10 ? 172 ASP A OD2 1 ATOM 1185 N N . THR A 1 153 ? -3.699 -9.276 5.511 1.00 11.56 ? 173 THR A N 1 ATOM 1186 C CA . THR A 1 153 ? -2.992 -10.049 6.501 1.00 12.04 ? 173 THR A CA 1 ATOM 1187 C C . THR A 1 153 ? -2.789 -11.514 6.123 1.00 12.45 ? 173 THR A C 1 ATOM 1188 O O . THR A 1 153 ? -1.661 -11.947 5.965 1.00 12.89 ? 173 THR A O 1 ATOM 1189 C CB . THR A 1 153 ? -3.749 -9.878 7.865 1.00 12.86 ? 173 THR A CB 1 ATOM 1190 O OG1 . THR A 1 153 ? -3.611 -8.506 8.283 1.00 13.58 ? 173 THR A OG1 1 ATOM 1191 C CG2 . THR A 1 153 ? -3.211 -10.741 8.933 1.00 14.16 ? 173 THR A CG2 1 ATOM 1192 N N . ASN A 1 154 ? -3.855 -12.324 5.998 1.00 13.11 ? 174 ASN A N 1 ATOM 1193 C CA . ASN A 1 154 ? -3.635 -13.784 5.954 1.00 13.49 ? 174 ASN A CA 1 ATOM 1194 C C . ASN A 1 154 ? -2.791 -14.205 4.775 1.00 11.84 ? 174 ASN A C 1 ATOM 1195 O O . ASN A 1 154 ? -1.824 -14.972 4.934 1.00 11.87 ? 174 ASN A O 1 ATOM 1196 C CB . ASN A 1 154 ? -4.968 -14.574 5.954 1.00 13.76 ? 174 ASN A CB 1 ATOM 1197 C CG . ASN A 1 154 ? -5.813 -14.238 7.153 1.00 15.30 ? 174 ASN A CG 1 ATOM 1198 O OD1 . ASN A 1 154 ? -6.514 -13.218 7.160 1.00 17.57 ? 174 ASN A OD1 1 ATOM 1199 N ND2 . ASN A 1 154 ? -5.734 -15.047 8.182 1.00 16.82 ? 174 ASN A ND2 1 ATOM 1200 N N . MET A 1 155 ? -3.131 -13.679 3.602 1.00 11.15 ? 175 MET A N 1 ATOM 1201 C CA . MET A 1 155 ? -2.403 -14.115 2.397 1.00 11.72 ? 175 MET A CA 1 ATOM 1202 C C . MET A 1 155 ? -0.937 -13.623 2.347 1.00 12.16 ? 175 MET A C 1 ATOM 1203 O O . MET A 1 155 ? -0.044 -14.411 2.050 1.00 12.85 ? 175 MET A O 1 ATOM 1204 C CB . MET A 1 155 ? -3.186 -13.778 1.130 1.00 12.15 ? 175 MET A CB 1 ATOM 1205 C CG . MET A 1 155 ? -4.544 -14.469 1.041 1.00 12.08 ? 175 MET A CG 1 ATOM 1206 S SD . MET A 1 155 ? -5.276 -14.517 -0.607 1.00 12.42 ? 175 MET A SD 1 ATOM 1207 C CE . MET A 1 155 ? -5.460 -12.731 -0.773 1.00 12.27 ? 175 MET A CE 1 ATOM 1208 N N . PRO A 1 156 ? -0.676 -12.322 2.635 1.00 13.15 ? 176 PRO A N 1 ATOM 1209 C CA . PRO A 1 156 ? 0.724 -11.926 2.548 1.00 12.81 ? 176 PRO A CA 1 ATOM 1210 C C . PRO A 1 156 ? 1.589 -12.620 3.602 1.00 13.08 ? 176 PRO A C 1 ATOM 1211 O O . PRO A 1 156 ? 2.769 -12.962 3.321 1.00 12.62 ? 176 PRO A O 1 ATOM 1212 C CB . PRO A 1 156 ? 0.696 -10.413 2.785 1.00 13.81 ? 176 PRO A CB 1 ATOM 1213 C CG . PRO A 1 156 ? -0.689 -9.952 2.615 1.00 14.90 ? 176 PRO A CG 1 ATOM 1214 C CD . PRO A 1 156 ? -1.591 -11.158 2.579 1.00 14.55 ? 176 PRO A CD 1 ATOM 1215 N N . GLU A 1 157 ? 1.013 -12.850 4.791 1.00 13.38 ? 177 GLU A N 1 ATOM 1216 C CA A GLU A 1 157 ? 1.759 -13.500 5.861 0.50 13.66 ? 177 GLU A CA 1 ATOM 1217 C CA B GLU A 1 157 ? 1.744 -13.522 5.878 0.50 13.77 ? 177 GLU A CA 1 ATOM 1218 C C . GLU A 1 157 ? 2.002 -14.984 5.554 1.00 13.85 ? 177 GLU A C 1 ATOM 1219 O O . GLU A 1 157 ? 3.072 -15.516 5.831 1.00 14.80 ? 177 GLU A O 1 ATOM 1220 C CB A GLU A 1 157 ? 1.111 -13.184 7.227 0.50 13.96 ? 177 GLU A CB 1 ATOM 1221 C CB B GLU A 1 157 ? 1.002 -13.414 7.239 0.50 14.27 ? 177 GLU A CB 1 ATOM 1222 C CG A GLU A 1 157 ? 1.204 -11.678 7.459 0.50 14.47 ? 177 GLU A CG 1 ATOM 1223 C CG B GLU A 1 157 ? 0.969 -12.075 7.856 0.50 14.65 ? 177 GLU A CG 1 ATOM 1224 C CD A GLU A 1 157 ? 0.469 -11.179 8.674 0.50 15.20 ? 177 GLU A CD 1 ATOM 1225 C CD B GLU A 1 157 ? 0.272 -12.133 9.206 0.50 16.05 ? 177 GLU A CD 1 ATOM 1226 O OE1 A GLU A 1 157 ? 0.357 -9.935 8.805 0.50 15.84 ? 177 GLU A OE1 1 ATOM 1227 O OE1 B GLU A 1 157 ? -0.271 -13.223 9.569 0.50 16.55 ? 177 GLU A OE1 1 ATOM 1228 O OE2 A GLU A 1 157 ? 0.015 -12.010 9.498 0.50 15.91 ? 177 GLU A OE2 1 ATOM 1229 O OE2 B GLU A 1 157 ? 0.308 -11.100 9.925 0.50 16.77 ? 177 GLU A OE2 1 ATOM 1230 N N . GLU A 1 158 ? 1.034 -15.647 4.931 1.00 13.63 ? 178 GLU A N 1 ATOM 1231 C CA . GLU A 1 158 ? 1.266 -17.009 4.457 1.00 15.22 ? 178 GLU A CA 1 ATOM 1232 C C . GLU A 1 158 ? 2.411 -17.036 3.403 1.00 15.06 ? 178 GLU A C 1 ATOM 1233 O O . GLU A 1 158 ? 3.300 -17.927 3.444 1.00 14.77 ? 178 GLU A O 1 ATOM 1234 C CB . GLU A 1 158 ? -0.008 -17.622 3.881 1.00 18.85 ? 178 GLU A CB 1 ATOM 1235 C CG . GLU A 1 158 ? 0.195 -18.999 3.270 1.00 21.97 ? 178 GLU A CG 1 ATOM 1236 C CD . GLU A 1 158 ? -1.097 -19.672 2.839 1.00 29.12 ? 178 GLU A CD 1 ATOM 1237 O OE1 . GLU A 1 158 ? -0.992 -20.688 2.065 1.00 33.60 ? 178 GLU A OE1 1 ATOM 1238 O OE2 . GLU A 1 158 ? -2.213 -19.233 3.244 1.00 26.65 ? 178 GLU A OE2 1 ATOM 1239 N N . ALA A 1 159 ? 2.363 -16.081 2.467 1.00 14.58 ? 179 ALA A N 1 ATOM 1240 C CA . ALA A 1 159 ? 3.374 -16.023 1.390 1.00 13.58 ? 179 ALA A CA 1 ATOM 1241 C C . ALA A 1 159 ? 4.785 -15.745 1.931 1.00 14.59 ? 179 ALA A C 1 ATOM 1242 O O . ALA A 1 159 ? 5.771 -16.351 1.490 1.00 15.27 ? 179 ALA A O 1 ATOM 1243 C CB . ALA A 1 159 ? 2.982 -15.017 0.339 1.00 13.55 ? 179 ALA A CB 1 ATOM 1244 N N . ALA A 1 160 ? 4.852 -14.881 2.942 1.00 13.82 ? 180 ALA A N 1 ATOM 1245 C CA . ALA A 1 160 ? 6.092 -14.468 3.545 1.00 13.45 ? 180 ALA A CA 1 ATOM 1246 C C . ALA A 1 160 ? 6.652 -15.483 4.539 1.00 14.40 ? 180 ALA A C 1 ATOM 1247 O O . ALA A 1 160 ? 7.845 -15.458 4.826 1.00 15.08 ? 180 ALA A O 1 ATOM 1248 C CB . ALA A 1 160 ? 5.882 -13.142 4.215 1.00 13.43 ? 180 ALA A CB 1 ATOM 1249 N N . GLY A 1 161 ? 5.790 -16.327 5.093 1.00 14.60 ? 181 GLY A N 1 ATOM 1250 C CA . GLY A 1 161 ? 6.135 -17.354 6.065 1.00 16.00 ? 181 GLY A CA 1 ATOM 1251 C C . GLY A 1 161 ? 6.096 -16.885 7.486 1.00 16.84 ? 181 GLY A C 1 ATOM 1252 O O . GLY A 1 161 ? 6.796 -17.425 8.351 1.00 16.78 ? 181 GLY A O 1 ATOM 1253 N N . GLY A 1 162 ? 5.318 -15.852 7.747 1.00 15.71 ? 182 GLY A N 1 ATOM 1254 C CA . GLY A 1 162 ? 5.278 -15.267 9.100 1.00 16.58 ? 182 GLY A CA 1 ATOM 1255 C C . GLY A 1 162 ? 4.824 -13.847 9.098 1.00 16.78 ? 182 GLY A C 1 ATOM 1256 O O . GLY A 1 162 ? 4.232 -13.364 8.130 1.00 16.96 ? 182 GLY A O 1 ATOM 1257 N N . TYR A 1 163 ? 5.051 -13.192 10.220 1.00 17.41 ? 183 TYR A N 1 ATOM 1258 C CA . TYR A 1 163 ? 4.533 -11.856 10.411 1.00 20.08 ? 183 TYR A CA 1 ATOM 1259 C C . TYR A 1 163 ? 5.343 -10.848 11.184 1.00 20.14 ? 183 TYR A C 1 ATOM 1260 O O . TYR A 1 163 ? 4.896 -9.728 11.280 1.00 25.91 ? 183 TYR A O 1 ATOM 1261 C CB . TYR A 1 163 ? 3.178 -11.937 11.034 1.00 23.71 ? 183 TYR A CB 1 ATOM 1262 C CG . TYR A 1 163 ? 3.102 -12.590 12.380 1.00 25.21 ? 183 TYR A CG 1 ATOM 1263 C CD1 . TYR A 1 163 ? 3.399 -11.869 13.540 1.00 30.24 ? 183 TYR A CD1 1 ATOM 1264 C CD2 . TYR A 1 163 ? 2.577 -13.870 12.503 1.00 29.10 ? 183 TYR A CD2 1 ATOM 1265 C CE1 . TYR A 1 163 ? 3.246 -12.449 14.818 1.00 33.40 ? 183 TYR A CE1 1 ATOM 1266 C CE2 . TYR A 1 163 ? 2.430 -14.471 13.749 1.00 32.45 ? 183 TYR A CE2 1 ATOM 1267 C CZ . TYR A 1 163 ? 2.768 -13.759 14.897 1.00 33.76 ? 183 TYR A CZ 1 ATOM 1268 O OH . TYR A 1 163 ? 2.607 -14.372 16.092 1.00 41.87 ? 183 TYR A OH 1 ATOM 1269 N N . SER A 1 164 ? 6.521 -11.196 11.644 1.00 19.65 ? 184 SER A N 1 ATOM 1270 C CA . SER A 1 164 ? 7.368 -10.256 12.389 1.00 21.05 ? 184 SER A CA 1 ATOM 1271 C C . SER A 1 164 ? 8.177 -9.326 11.497 1.00 21.32 ? 184 SER A C 1 ATOM 1272 O O . SER A 1 164 ? 8.300 -9.553 10.287 1.00 20.18 ? 184 SER A O 1 ATOM 1273 C CB . SER A 1 164 ? 8.402 -11.063 13.183 1.00 21.64 ? 184 SER A CB 1 ATOM 1274 O OG . SER A 1 164 ? 9.232 -11.811 12.305 1.00 20.91 ? 184 SER A OG 1 ATOM 1275 N N . LEU A 1 165 ? 8.834 -8.363 12.121 1.00 18.95 ? 185 LEU A N 1 ATOM 1276 C CA . LEU A 1 165 ? 9.747 -7.468 11.404 1.00 19.22 ? 185 LEU A CA 1 ATOM 1277 C C . LEU A 1 165 ? 10.870 -8.191 10.629 1.00 18.17 ? 185 LEU A C 1 ATOM 1278 O O . LEU A 1 165 ? 11.203 -7.840 9.482 1.00 16.74 ? 185 LEU A O 1 ATOM 1279 C CB . LEU A 1 165 ? 10.358 -6.489 12.386 1.00 20.39 ? 185 LEU A CB 1 ATOM 1280 C CG . LEU A 1 165 ? 11.080 -5.271 11.842 1.00 21.02 ? 185 LEU A CG 1 ATOM 1281 C CD1 . LEU A 1 165 ? 10.137 -4.376 11.010 1.00 22.26 ? 185 LEU A CD1 1 ATOM 1282 C CD2 . LEU A 1 165 ? 11.726 -4.494 13.001 1.00 21.80 ? 185 LEU A CD2 1 ATOM 1283 N N . SER A 1 166 ? 11.463 -9.200 11.249 1.00 17.10 ? 186 SER A N 1 ATOM 1284 C CA . SER A 1 166 ? 12.506 -9.995 10.575 1.00 19.36 ? 186 SER A CA 1 ATOM 1285 C C . SER A 1 166 ? 11.973 -10.770 9.357 1.00 17.84 ? 186 SER A C 1 ATOM 1286 O O . SER A 1 166 ? 12.667 -10.865 8.343 1.00 18.32 ? 186 SER A O 1 ATOM 1287 C CB . SER A 1 166 ? 13.265 -10.916 11.538 1.00 22.61 ? 186 SER A CB 1 ATOM 1288 O OG . SER A 1 166 ? 12.334 -11.797 12.120 1.00 30.43 ? 186 SER A OG 1 ATOM 1289 N N . VAL A 1 167 ? 10.746 -11.269 9.435 1.00 15.54 ? 187 VAL A N 1 ATOM 1290 C CA . VAL A 1 167 ? 10.105 -11.872 8.282 1.00 16.09 ? 187 VAL A CA 1 ATOM 1291 C C . VAL A 1 167 ? 9.824 -10.802 7.196 1.00 14.01 ? 187 VAL A C 1 ATOM 1292 O O . VAL A 1 167 ? 9.994 -11.074 5.977 1.00 13.19 ? 187 VAL A O 1 ATOM 1293 C CB . VAL A 1 167 ? 8.851 -12.678 8.712 1.00 16.87 ? 187 VAL A CB 1 ATOM 1294 C CG1 . VAL A 1 167 ? 8.057 -13.142 7.513 1.00 15.66 ? 187 VAL A CG1 1 ATOM 1295 C CG2 . VAL A 1 167 ? 9.294 -13.914 9.491 1.00 17.94 ? 187 VAL A CG2 1 ATOM 1296 N N . ALA A 1 168 ? 9.356 -9.635 7.612 1.00 13.45 ? 188 ALA A N 1 ATOM 1297 C CA . ALA A 1 168 ? 9.163 -8.524 6.649 1.00 13.15 ? 188 ALA A CA 1 ATOM 1298 C C . ALA A 1 168 ? 10.453 -8.193 5.894 1.00 12.58 ? 188 ALA A C 1 ATOM 1299 O O . ALA A 1 168 ? 10.436 -7.919 4.679 1.00 13.13 ? 188 ALA A O 1 ATOM 1300 C CB . ALA A 1 168 ? 8.652 -7.275 7.357 1.00 13.37 ? 188 ALA A CB 1 ATOM 1301 N N . LYS A 1 169 ? 11.581 -8.165 6.614 1.00 13.05 ? 189 LYS A N 1 ATOM 1302 C CA . LYS A 1 169 ? 12.882 -7.869 6.033 1.00 14.18 ? 189 LYS A CA 1 ATOM 1303 C C . LYS A 1 169 ? 13.209 -8.924 4.934 1.00 11.98 ? 189 LYS A C 1 ATOM 1304 O O . LYS A 1 169 ? 13.571 -8.540 3.861 1.00 11.87 ? 189 LYS A O 1 ATOM 1305 C CB . LYS A 1 169 ? 13.994 -7.839 7.117 1.00 16.49 ? 189 LYS A CB 1 ATOM 1306 C CG . LYS A 1 169 ? 15.396 -7.580 6.622 1.00 20.03 ? 189 LYS A CG 1 ATOM 1307 C CD . LYS A 1 169 ? 15.484 -6.380 5.685 1.00 25.91 ? 189 LYS A CD 1 ATOM 1308 C CE . LYS A 1 169 ? 16.804 -6.358 4.952 1.00 33.12 ? 189 LYS A CE 1 ATOM 1309 N NZ . LYS A 1 169 ? 16.886 -5.194 4.007 1.00 37.26 ? 189 LYS A NZ 1 ATOM 1310 N N . THR A 1 170 ? 13.030 -10.208 5.211 1.00 11.87 ? 190 THR A N 1 ATOM 1311 C CA . THR A 1 170 ? 13.311 -11.269 4.235 1.00 13.20 ? 190 THR A CA 1 ATOM 1312 C C . THR A 1 170 ? 12.387 -11.204 3.022 1.00 13.83 ? 190 THR A C 1 ATOM 1313 O O . THR A 1 170 ? 12.834 -11.392 1.854 1.00 14.10 ? 190 THR A O 1 ATOM 1314 C CB A THR A 1 170 ? 13.217 -12.656 4.881 0.50 14.34 ? 190 THR A CB 1 ATOM 1315 C CB B THR A 1 170 ? 13.349 -12.715 4.858 0.50 14.68 ? 190 THR A CB 1 ATOM 1316 O OG1 A THR A 1 170 ? 14.177 -12.737 5.923 0.50 15.96 ? 190 THR A OG1 1 ATOM 1317 O OG1 B THR A 1 170 ? 12.069 -13.126 5.365 0.50 16.31 ? 190 THR A OG1 1 ATOM 1318 C CG2 A THR A 1 170 ? 13.480 -13.749 3.881 0.50 14.63 ? 190 THR A CG2 1 ATOM 1319 C CG2 B THR A 1 170 ? 14.328 -12.783 5.993 0.50 15.67 ? 190 THR A CG2 1 ATOM 1320 N N . TYR A 1 171 ? 11.114 -10.877 3.257 1.00 13.06 ? 191 TYR A N 1 ATOM 1321 C CA . TYR A 1 171 ? 10.175 -10.753 2.177 1.00 12.33 ? 191 TYR A CA 1 ATOM 1322 C C . TYR A 1 171 ? 10.544 -9.528 1.301 1.00 11.88 ? 191 TYR A C 1 ATOM 1323 O O . TYR A 1 171 ? 10.428 -9.563 0.051 1.00 11.50 ? 191 TYR A O 1 ATOM 1324 C CB . TYR A 1 171 ? 8.755 -10.566 2.748 1.00 11.62 ? 191 TYR A CB 1 ATOM 1325 C CG . TYR A 1 171 ? 7.595 -10.882 1.876 1.00 11.17 ? 191 TYR A CG 1 ATOM 1326 C CD1 . TYR A 1 171 ? 7.604 -11.991 1.031 1.00 11.36 ? 191 TYR A CD1 1 ATOM 1327 C CD2 . TYR A 1 171 ? 6.395 -10.150 1.987 1.00 11.75 ? 191 TYR A CD2 1 ATOM 1328 C CE1 . TYR A 1 171 ? 6.507 -12.329 0.273 1.00 12.22 ? 191 TYR A CE1 1 ATOM 1329 C CE2 . TYR A 1 171 ? 5.259 -10.535 1.272 1.00 11.99 ? 191 TYR A CE2 1 ATOM 1330 C CZ . TYR A 1 171 ? 5.332 -11.603 0.382 1.00 12.32 ? 191 TYR A CZ 1 ATOM 1331 O OH . TYR A 1 171 ? 4.244 -12.000 -0.333 1.00 12.26 ? 191 TYR A OH 1 ATOM 1332 N N . ALA A 1 172 ? 10.862 -8.417 1.950 1.00 12.25 ? 192 ALA A N 1 ATOM 1333 C CA . ALA A 1 172 ? 11.308 -7.235 1.222 1.00 12.44 ? 192 ALA A CA 1 ATOM 1334 C C . ALA A 1 172 ? 12.526 -7.529 0.351 1.00 13.42 ? 192 ALA A C 1 ATOM 1335 O O . ALA A 1 172 ? 12.607 -7.097 -0.803 1.00 12.81 ? 192 ALA A O 1 ATOM 1336 C CB . ALA A 1 172 ? 11.578 -6.079 2.182 1.00 11.92 ? 192 ALA A CB 1 ATOM 1337 N N . ASP A 1 173 ? 13.464 -8.314 0.888 1.00 13.74 ? 193 ASP A N 1 ATOM 1338 C CA . ASP A 1 173 ? 14.642 -8.690 0.080 1.00 14.75 ? 193 ASP A CA 1 ATOM 1339 C C . ASP A 1 173 ? 14.279 -9.494 -1.147 1.00 13.92 ? 193 ASP A C 1 ATOM 1340 O O . ASP A 1 173 ? 14.835 -9.243 -2.224 1.00 13.02 ? 193 ASP A O 1 ATOM 1341 C CB . ASP A 1 173 ? 15.631 -9.514 0.913 1.00 16.21 ? 193 ASP A CB 1 ATOM 1342 C CG . ASP A 1 173 ? 16.428 -8.664 1.874 1.00 18.12 ? 193 ASP A CG 1 ATOM 1343 O OD1 . ASP A 1 173 ? 16.427 -7.411 1.760 1.00 18.43 ? 193 ASP A OD1 1 ATOM 1344 O OD2 . ASP A 1 173 ? 17.063 -9.317 2.709 1.00 23.43 ? 193 ASP A OD2 1 ATOM 1345 N N . LEU A 1 174 ? 13.328 -10.435 -0.986 1.00 12.86 ? 194 LEU A N 1 ATOM 1346 C CA . LEU A 1 174 ? 12.840 -11.211 -2.116 1.00 14.12 ? 194 LEU A CA 1 ATOM 1347 C C . LEU A 1 174 ? 12.261 -10.276 -3.214 1.00 13.96 ? 194 LEU A C 1 ATOM 1348 O O . LEU A 1 174 ? 12.600 -10.370 -4.419 1.00 12.85 ? 194 LEU A O 1 ATOM 1349 C CB . LEU A 1 174 ? 11.785 -12.175 -1.652 1.00 16.20 ? 194 LEU A CB 1 ATOM 1350 C CG . LEU A 1 174 ? 11.134 -13.053 -2.725 1.00 19.10 ? 194 LEU A CG 1 ATOM 1351 C CD1 . LEU A 1 174 ? 12.107 -14.136 -3.222 1.00 21.97 ? 194 LEU A CD1 1 ATOM 1352 C CD2 . LEU A 1 174 ? 9.917 -13.731 -2.141 1.00 22.79 ? 194 LEU A CD2 1 ATOM 1353 N N . LEU A 1 175 ? 11.366 -9.388 -2.782 1.00 12.60 ? 195 LEU A N 1 ATOM 1354 C CA . LEU A 1 175 ? 10.681 -8.485 -3.735 1.00 12.32 ? 195 LEU A CA 1 ATOM 1355 C C . LEU A 1 175 ? 11.593 -7.418 -4.329 1.00 12.01 ? 195 LEU A C 1 ATOM 1356 O O . LEU A 1 175 ? 11.455 -7.069 -5.528 1.00 13.19 ? 195 LEU A O 1 ATOM 1357 C CB . LEU A 1 175 ? 9.440 -7.858 -3.084 1.00 12.16 ? 195 LEU A CB 1 ATOM 1358 C CG . LEU A 1 175 ? 8.422 -8.869 -2.568 1.00 13.08 ? 195 LEU A CG 1 ATOM 1359 C CD1 . LEU A 1 175 ? 7.210 -8.203 -1.928 1.00 13.46 ? 195 LEU A CD1 1 ATOM 1360 C CD2 . LEU A 1 175 ? 7.987 -9.832 -3.688 1.00 14.98 ? 195 LEU A CD2 1 ATOM 1361 N N . THR A 1 176 ? 12.547 -6.937 -3.527 1.00 12.42 ? 196 THR A N 1 ATOM 1362 C CA . THR A 1 176 ? 13.581 -5.988 -4.001 1.00 12.90 ? 196 THR A CA 1 ATOM 1363 C C . THR A 1 176 ? 14.403 -6.576 -5.142 1.00 13.10 ? 196 THR A C 1 ATOM 1364 O O . THR A 1 176 ? 14.664 -5.935 -6.159 1.00 12.39 ? 196 THR A O 1 ATOM 1365 C CB . THR A 1 176 ? 14.473 -5.513 -2.819 1.00 13.74 ? 196 THR A CB 1 ATOM 1366 O OG1 . THR A 1 176 ? 13.685 -4.687 -1.961 1.00 12.60 ? 196 THR A OG1 1 ATOM 1367 C CG2 . THR A 1 176 ? 15.708 -4.736 -3.291 1.00 13.51 ? 196 THR A CG2 1 ATOM 1368 N N . GLU A 1 177 ? 14.831 -7.809 -4.969 1.00 15.01 ? 197 GLU A N 1 ATOM 1369 C CA . GLU A 1 177 ? 15.549 -8.492 -6.042 1.00 16.44 ? 197 GLU A CA 1 ATOM 1370 C C . GLU A 1 177 ? 14.706 -8.638 -7.278 1.00 14.58 ? 197 GLU A C 1 ATOM 1371 O O . GLU A 1 177 ? 15.237 -8.449 -8.415 1.00 13.04 ? 197 GLU A O 1 ATOM 1372 C CB . GLU A 1 177 ? 16.107 -9.850 -5.607 1.00 20.18 ? 197 GLU A CB 1 ATOM 1373 C CG . GLU A 1 177 ? 17.354 -10.254 -6.389 1.00 24.77 ? 197 GLU A CG 1 ATOM 1374 C CD . GLU A 1 177 ? 18.482 -9.223 -6.249 0.50 25.27 ? 197 GLU A CD 1 ATOM 1375 O OE1 . GLU A 1 177 ? 19.040 -8.764 -7.286 0.50 22.66 ? 197 GLU A OE1 1 ATOM 1376 O OE2 . GLU A 1 177 ? 18.777 -8.858 -5.082 0.50 28.08 ? 197 GLU A OE2 1 ATOM 1377 N N . ARG A 1 178 ? 13.434 -8.968 -7.113 1.00 12.71 ? 198 ARG A N 1 ATOM 1378 C CA . ARG A 1 178 ? 12.534 -9.015 -8.285 1.00 13.35 ? 198 ARG A CA 1 ATOM 1379 C C . ARG A 1 178 ? 12.474 -7.697 -9.090 1.00 12.65 ? 198 ARG A C 1 ATOM 1380 O O . ARG A 1 178 ? 12.438 -7.732 -10.306 1.00 13.52 ? 198 ARG A O 1 ATOM 1381 C CB . ARG A 1 178 ? 11.112 -9.415 -7.895 1.00 15.65 ? 198 ARG A CB 1 ATOM 1382 C CG . ARG A 1 178 ? 10.966 -10.857 -7.506 1.00 16.45 ? 198 ARG A CG 1 ATOM 1383 C CD . ARG A 1 178 ? 9.504 -11.191 -7.453 1.00 18.13 ? 198 ARG A CD 1 ATOM 1384 N NE . ARG A 1 178 ? 9.355 -12.495 -6.886 1.00 20.31 ? 198 ARG A NE 1 ATOM 1385 C CZ . ARG A 1 178 ? 8.256 -12.954 -6.272 1.00 19.97 ? 198 ARG A CZ 1 ATOM 1386 N NH1 . ARG A 1 178 ? 7.131 -12.247 -6.174 1.00 17.68 ? 198 ARG A NH1 1 ATOM 1387 N NH2 . ARG A 1 178 ? 8.320 -14.166 -5.777 1.00 22.92 ? 198 ARG A NH2 1 ATOM 1388 N N . ILE A 1 179 ? 12.497 -6.556 -8.391 1.00 12.07 ? 199 ILE A N 1 ATOM 1389 C CA . ILE A 1 179 ? 12.561 -5.230 -9.034 1.00 12.23 ? 199 ILE A CA 1 ATOM 1390 C C . ILE A 1 179 ? 13.924 -4.966 -9.707 1.00 14.31 ? 199 ILE A C 1 ATOM 1391 O O . ILE A 1 179 ? 13.991 -4.519 -10.866 1.00 14.26 ? 199 ILE A O 1 ATOM 1392 C CB . ILE A 1 179 ? 12.319 -4.092 -8.001 1.00 11.92 ? 199 ILE A CB 1 ATOM 1393 C CG1 . ILE A 1 179 ? 10.895 -4.191 -7.450 1.00 11.70 ? 199 ILE A CG1 1 ATOM 1394 C CG2 . ILE A 1 179 ? 12.593 -2.727 -8.619 1.00 11.73 ? 199 ILE A CG2 1 ATOM 1395 C CD1 . ILE A 1 179 ? 10.665 -3.397 -6.162 1.00 11.82 ? 199 ILE A CD1 1 ATOM 1396 N N . LYS A 1 180 ? 15.004 -5.268 -8.993 1.00 15.35 ? 200 LYS A N 1 ATOM 1397 C CA . LYS A 1 180 ? 16.353 -4.924 -9.513 1.00 17.43 ? 200 LYS A CA 1 ATOM 1398 C C . LYS A 1 180 ? 16.746 -5.705 -10.739 1.00 17.96 ? 200 LYS A C 1 ATOM 1399 O O . LYS A 1 180 ? 17.209 -5.124 -11.683 1.00 17.36 ? 200 LYS A O 1 ATOM 1400 C CB . LYS A 1 180 ? 17.429 -5.119 -8.468 1.00 18.19 ? 200 LYS A CB 1 ATOM 1401 C CG . LYS A 1 180 ? 17.374 -4.051 -7.420 1.00 19.63 ? 200 LYS A CG 1 ATOM 1402 C CD . LYS A 1 180 ? 18.478 -4.215 -6.383 1.00 22.72 ? 200 LYS A CD 1 ATOM 1403 C CE . LYS A 1 180 ? 18.309 -3.182 -5.272 1.00 24.89 ? 200 LYS A CE 1 ATOM 1404 N NZ . LYS A 1 180 ? 19.428 -3.209 -4.281 1.00 26.61 ? 200 LYS A NZ 1 ATOM 1405 N N . THR A 1 181 ? 16.540 -7.014 -10.687 1.00 17.34 ? 201 THR A N 1 ATOM 1406 C CA . THR A 1 181 ? 17.043 -7.935 -11.696 1.00 17.56 ? 201 THR A CA 1 ATOM 1407 C C . THR A 1 181 ? 16.076 -8.995 -12.115 1.00 16.74 ? 201 THR A C 1 ATOM 1408 O O . THR A 1 181 ? 16.255 -9.639 -13.178 1.00 17.77 ? 201 THR A O 1 ATOM 1409 C CB . THR A 1 181 ? 18.372 -8.600 -11.182 1.00 18.26 ? 201 THR A CB 1 ATOM 1410 O OG1 . THR A 1 181 ? 18.183 -9.254 -9.919 1.00 18.17 ? 201 THR A OG1 1 ATOM 1411 C CG2 . THR A 1 181 ? 19.471 -7.606 -11.024 1.00 19.70 ? 201 THR A CG2 1 ATOM 1412 N N . GLY A 1 182 ? 15.040 -9.257 -11.328 1.00 16.04 ? 202 GLY A N 1 ATOM 1413 C CA . GLY A 1 182 ? 14.164 -10.358 -11.588 1.00 15.16 ? 202 GLY A CA 1 ATOM 1414 C C . GLY A 1 182 ? 12.943 -10.071 -12.371 1.00 15.54 ? 202 GLY A C 1 ATOM 1415 O O . GLY A 1 182 ? 12.922 -9.214 -13.294 1.00 16.97 ? 202 GLY A O 1 ATOM 1416 N N . THR A 1 183 ? 11.861 -10.726 -11.995 1.00 14.22 ? 203 THR A N 1 ATOM 1417 C CA . THR A 1 183 ? 10.697 -10.751 -12.862 1.00 15.30 ? 203 THR A CA 1 ATOM 1418 C C . THR A 1 183 ? 9.902 -9.447 -12.954 1.00 13.41 ? 203 THR A C 1 ATOM 1419 O O . THR A 1 183 ? 9.039 -9.352 -13.798 1.00 13.28 ? 203 THR A O 1 ATOM 1420 C CB . THR A 1 183 ? 9.768 -11.960 -12.582 1.00 17.24 ? 203 THR A CB 1 ATOM 1421 O OG1 . THR A 1 183 ? 8.819 -12.030 -13.609 1.00 21.01 ? 203 THR A OG1 1 ATOM 1422 C CG2 . THR A 1 183 ? 9.060 -11.790 -11.267 1.00 19.78 ? 203 THR A CG2 1 ATOM 1423 N N . TYR A 1 184 ? 10.178 -8.465 -12.100 1.00 12.77 ? 204 TYR A N 1 ATOM 1424 C CA . TYR A 1 184 ? 9.644 -7.149 -12.246 1.00 13.24 ? 204 TYR A CA 1 ATOM 1425 C C . TYR A 1 184 ? 10.580 -6.112 -12.880 1.00 13.22 ? 204 TYR A C 1 ATOM 1426 O O . TYR A 1 184 ? 10.134 -4.961 -13.148 1.00 13.62 ? 204 TYR A O 1 ATOM 1427 C CB . TYR A 1 184 ? 9.213 -6.558 -10.884 1.00 12.99 ? 204 TYR A CB 1 ATOM 1428 C CG . TYR A 1 184 ? 8.351 -7.408 -10.008 1.00 12.50 ? 204 TYR A CG 1 ATOM 1429 C CD1 . TYR A 1 184 ? 7.381 -8.309 -10.543 1.00 12.73 ? 204 TYR A CD1 1 ATOM 1430 C CD2 . TYR A 1 184 ? 8.489 -7.339 -8.628 1.00 12.68 ? 204 TYR A CD2 1 ATOM 1431 C CE1 . TYR A 1 184 ? 6.597 -9.068 -9.733 1.00 12.58 ? 204 TYR A CE1 1 ATOM 1432 C CE2 . TYR A 1 184 ? 7.666 -8.079 -7.809 1.00 12.03 ? 204 TYR A CE2 1 ATOM 1433 C CZ . TYR A 1 184 ? 6.754 -8.957 -8.332 1.00 12.42 ? 204 TYR A CZ 1 ATOM 1434 O OH . TYR A 1 184 ? 6.041 -9.743 -7.500 1.00 12.21 ? 204 TYR A OH 1 ATOM 1435 N N . SER A 1 185 ? 11.804 -6.520 -13.224 1.00 13.22 ? 205 SER A N 1 ATOM 1436 C CA . SER A 1 185 ? 12.827 -5.570 -13.603 1.00 13.77 ? 205 SER A CA 1 ATOM 1437 C C . SER A 1 185 ? 12.584 -4.919 -14.985 1.00 15.64 ? 205 SER A C 1 ATOM 1438 O O . SER A 1 185 ? 13.069 -3.828 -15.248 1.00 16.38 ? 205 SER A O 1 ATOM 1439 C CB . SER A 1 185 ? 14.204 -6.207 -13.551 1.00 14.93 ? 205 SER A CB 1 ATOM 1440 O OG . SER A 1 185 ? 14.339 -7.322 -14.459 1.00 15.06 ? 205 SER A OG 1 ATOM 1441 N N . SER A 1 186 ? 11.890 -5.626 -15.859 1.00 16.61 ? 206 SER A N 1 ATOM 1442 C CA . SER A 1 186 ? 11.557 -5.096 -17.164 1.00 17.97 ? 206 SER A CA 1 ATOM 1443 C C . SER A 1 186 ? 10.276 -4.273 -17.192 1.00 19.79 ? 206 SER A C 1 ATOM 1444 O O . SER A 1 186 ? 9.911 -3.755 -18.264 1.00 20.94 ? 206 SER A O 1 ATOM 1445 C CB . SER A 1 186 ? 11.506 -6.235 -18.173 1.00 17.71 ? 206 SER A CB 1 ATOM 1446 O OG . SER A 1 186 ? 10.514 -7.188 -17.853 1.00 20.19 ? 206 SER A OG 1 ATOM 1447 N N . LYS A 1 187 ? 9.545 -4.250 -16.083 1.00 18.40 ? 207 LYS A N 1 ATOM 1448 C CA A LYS A 1 187 ? 8.300 -3.465 -15.976 0.50 19.51 ? 207 LYS A CA 1 ATOM 1449 C CA B LYS A 1 187 ? 8.288 -3.503 -15.939 0.50 20.11 ? 207 LYS A CA 1 ATOM 1450 C C . LYS A 1 187 ? 8.430 -2.270 -15.041 1.00 19.56 ? 207 LYS A C 1 ATOM 1451 O O . LYS A 1 187 ? 7.682 -1.293 -15.162 1.00 18.25 ? 207 LYS A O 1 ATOM 1452 C CB A LYS A 1 187 ? 7.143 -4.319 -15.472 0.50 20.68 ? 207 LYS A CB 1 ATOM 1453 C CB B LYS A 1 187 ? 7.213 -4.408 -15.301 0.50 21.80 ? 207 LYS A CB 1 ATOM 1454 C CG A LYS A 1 187 ? 6.695 -5.356 -16.494 0.50 21.46 ? 207 LYS A CG 1 ATOM 1455 C CG B LYS A 1 187 ? 5.841 -4.123 -15.847 0.50 24.03 ? 207 LYS A CG 1 ATOM 1456 C CD A LYS A 1 187 ? 5.414 -6.101 -16.124 0.50 22.91 ? 207 LYS A CD 1 ATOM 1457 C CD B LYS A 1 187 ? 5.830 -4.138 -17.375 0.50 24.69 ? 207 LYS A CD 1 ATOM 1458 C CE A LYS A 1 187 ? 5.695 -7.384 -15.376 0.50 22.93 ? 207 LYS A CE 1 ATOM 1459 C CE B LYS A 1 187 ? 4.496 -4.642 -17.892 0.50 25.04 ? 207 LYS A CE 1 ATOM 1460 N NZ A LYS A 1 187 ? 4.449 -7.822 -14.737 0.50 24.32 ? 207 LYS A NZ 1 ATOM 1461 N NZ B LYS A 1 187 ? 3.916 -3.760 -18.934 0.50 24.21 ? 207 LYS A NZ 1 ATOM 1462 N N . LYS A 1 188 ? 9.367 -2.341 -14.115 1.00 17.99 ? 208 LYS A N 1 ATOM 1463 C CA . LYS A 1 188 ? 9.454 -1.350 -13.060 1.00 17.18 ? 208 LYS A CA 1 ATOM 1464 C C . LYS A 1 188 ? 9.726 0.064 -13.531 1.00 15.87 ? 208 LYS A C 1 ATOM 1465 O O . LYS A 1 188 ? 9.274 0.990 -12.910 1.00 13.53 ? 208 LYS A O 1 ATOM 1466 C CB . LYS A 1 188 ? 10.420 -1.842 -11.995 1.00 20.61 ? 208 LYS A CB 1 ATOM 1467 C CG . LYS A 1 188 ? 11.852 -1.962 -12.423 1.00 22.37 ? 208 LYS A CG 1 ATOM 1468 C CD . LYS A 1 188 ? 12.605 -0.732 -12.093 1.00 23.98 ? 208 LYS A CD 1 ATOM 1469 C CE . LYS A 1 188 ? 14.039 -1.054 -11.821 1.00 27.14 ? 208 LYS A CE 1 ATOM 1470 N NZ . LYS A 1 188 ? 14.628 -1.838 -12.921 1.00 30.22 ? 208 LYS A NZ 1 ATOM 1471 N N . ASP A 1 189 ? 10.383 0.256 -14.667 1.00 15.87 ? 209 ASP A N 1 ATOM 1472 C CA . ASP A 1 189 ? 10.600 1.636 -15.132 1.00 17.13 ? 209 ASP A CA 1 ATOM 1473 C C . ASP A 1 189 ? 9.330 2.309 -15.631 1.00 13.78 ? 209 ASP A C 1 ATOM 1474 O O . ASP A 1 189 ? 9.277 3.550 -15.738 1.00 12.21 ? 209 ASP A O 1 ATOM 1475 C CB . ASP A 1 189 ? 11.723 1.653 -16.167 1.00 22.36 ? 209 ASP A CB 1 ATOM 1476 C CG . ASP A 1 189 ? 13.063 1.255 -15.537 1.00 27.36 ? 209 ASP A CG 1 ATOM 1477 O OD1 . ASP A 1 189 ? 13.512 1.978 -14.583 1.00 27.56 ? 209 ASP A OD1 1 ATOM 1478 O OD2 . ASP A 1 189 ? 13.602 0.179 -15.953 1.00 30.95 ? 209 ASP A OD2 1 ATOM 1479 N N . SER A 1 190 ? 8.303 1.504 -15.873 1.00 11.19 ? 210 SER A N 1 ATOM 1480 C CA . SER A 1 190 ? 6.964 2.045 -16.177 1.00 12.84 ? 210 SER A CA 1 ATOM 1481 C C . SER A 1 190 ? 6.163 2.350 -14.928 1.00 12.23 ? 210 SER A C 1 ATOM 1482 O O . SER A 1 190 ? 5.189 3.137 -14.979 1.00 9.99 ? 210 SER A O 1 ATOM 1483 C CB . SER A 1 190 ? 6.210 1.134 -17.145 1.00 14.14 ? 210 SER A CB 1 ATOM 1484 O OG . SER A 1 190 ? 5.781 -0.063 -16.480 1.00 18.41 ? 210 SER A OG 1 ATOM 1485 N N . TRP A 1 191 ? 6.572 1.757 -13.788 1.00 12.40 ? 211 TRP A N 1 ATOM 1486 C CA . TRP A 1 191 ? 5.847 1.987 -12.513 1.00 12.39 ? 211 TRP A CA 1 ATOM 1487 C C . TRP A 1 191 ? 5.944 3.407 -12.010 1.00 12.62 ? 211 TRP A C 1 ATOM 1488 O O . TRP A 1 191 ? 5.052 3.820 -11.285 1.00 12.82 ? 211 TRP A O 1 ATOM 1489 C CB . TRP A 1 191 ? 6.333 1.053 -11.422 1.00 12.53 ? 211 TRP A CB 1 ATOM 1490 C CG . TRP A 1 191 ? 6.085 -0.391 -11.633 1.00 12.18 ? 211 TRP A CG 1 ATOM 1491 C CD1 . TRP A 1 191 ? 5.359 -0.994 -12.634 1.00 13.20 ? 211 TRP A CD1 1 ATOM 1492 C CD2 . TRP A 1 191 ? 6.587 -1.454 -10.811 1.00 12.07 ? 211 TRP A CD2 1 ATOM 1493 N NE1 . TRP A 1 191 ? 5.380 -2.346 -12.481 1.00 13.12 ? 211 TRP A NE1 1 ATOM 1494 C CE2 . TRP A 1 191 ? 6.088 -2.661 -11.351 1.00 13.12 ? 211 TRP A CE2 1 ATOM 1495 C CE3 . TRP A 1 191 ? 7.358 -1.504 -9.640 1.00 11.20 ? 211 TRP A CE3 1 ATOM 1496 C CZ2 . TRP A 1 191 ? 6.357 -3.929 -10.755 1.00 12.47 ? 211 TRP A CZ2 1 ATOM 1497 C CZ3 . TRP A 1 191 ? 7.595 -2.742 -9.027 1.00 10.50 ? 211 TRP A CZ3 1 ATOM 1498 C CH2 . TRP A 1 191 ? 7.120 -3.931 -9.595 1.00 11.48 ? 211 TRP A CH2 1 ATOM 1499 N N . THR A 1 192 ? 6.985 4.151 -12.408 1.00 12.09 ? 212 THR A N 1 ATOM 1500 C CA . THR A 1 192 ? 7.155 5.545 -12.051 1.00 13.15 ? 212 THR A CA 1 ATOM 1501 C C . THR A 1 192 ? 6.687 6.494 -13.192 1.00 13.43 ? 212 THR A C 1 ATOM 1502 O O . THR A 1 192 ? 6.805 7.701 -13.053 1.00 13.44 ? 212 THR A O 1 ATOM 1503 C CB . THR A 1 192 ? 8.629 5.832 -11.737 1.00 13.96 ? 212 THR A CB 1 ATOM 1504 O OG1 . THR A 1 192 ? 9.422 5.245 -12.778 1.00 13.95 ? 212 THR A OG1 1 ATOM 1505 C CG2 . THR A 1 192 ? 8.969 5.219 -10.395 1.00 15.39 ? 212 THR A CG2 1 ATOM 1506 N N . ASP A 1 193 ? 6.055 5.963 -14.233 1.00 13.88 ? 213 ASP A N 1 ATOM 1507 C CA . ASP A 1 193 ? 5.491 6.820 -15.302 1.00 14.89 ? 213 ASP A CA 1 ATOM 1508 C C . ASP A 1 193 ? 4.455 7.757 -14.674 1.00 15.22 ? 213 ASP A C 1 ATOM 1509 O O . ASP A 1 193 ? 3.720 7.361 -13.755 1.00 14.66 ? 213 ASP A O 1 ATOM 1510 C CB . ASP A 1 193 ? 4.779 6.003 -16.389 1.00 14.72 ? 213 ASP A CB 1 ATOM 1511 C CG . ASP A 1 193 ? 5.730 5.232 -17.289 1.00 16.95 ? 213 ASP A CG 1 ATOM 1512 O OD1 . ASP A 1 193 ? 6.963 5.362 -17.190 1.00 16.03 ? 213 ASP A OD1 1 ATOM 1513 O OD2 . ASP A 1 193 ? 5.227 4.407 -18.105 1.00 17.52 ? 213 ASP A OD2 1 ATOM 1514 N N . GLY A 1 194 ? 4.482 9.026 -15.066 1.00 15.12 ? 214 GLY A N 1 ATOM 1515 C CA . GLY A 1 194 ? 3.436 9.929 -14.619 1.00 16.76 ? 214 GLY A CA 1 ATOM 1516 C C . GLY A 1 194 ? 3.720 10.509 -13.248 1.00 18.33 ? 214 GLY A C 1 ATOM 1517 O O . GLY A 1 194 ? 2.989 11.361 -12.838 1.00 18.10 ? 214 GLY A O 1 ATOM 1518 N N . ILE A 1 195 ? 4.763 10.060 -12.526 1.00 16.64 ? 215 ILE A N 1 ATOM 1519 C CA . ILE A 1 195 ? 5.035 10.579 -11.200 1.00 16.42 ? 215 ILE A CA 1 ATOM 1520 C C . ILE A 1 195 ? 5.366 12.066 -11.244 1.00 15.75 ? 215 ILE A C 1 ATOM 1521 O O . ILE A 1 195 ? 6.197 12.520 -12.049 1.00 17.31 ? 215 ILE A O 1 ATOM 1522 C CB . ILE A 1 195 ? 6.184 9.760 -10.536 1.00 18.91 ? 215 ILE A CB 1 ATOM 1523 C CG1 . ILE A 1 195 ? 6.356 10.096 -9.047 1.00 20.39 ? 215 ILE A CG1 1 ATOM 1524 C CG2 . ILE A 1 195 ? 7.550 9.976 -11.218 1.00 20.65 ? 215 ILE A CG2 1 ATOM 1525 C CD1 . ILE A 1 195 ? 7.194 9.042 -8.326 1.00 24.78 ? 215 ILE A CD1 1 ATOM 1526 N N . ASP A 1 196 ? 4.727 12.853 -10.420 1.00 15.45 ? 216 ASP A N 1 ATOM 1527 C CA . ASP A 1 196 ? 4.890 14.327 -10.469 1.00 15.60 ? 216 ASP A CA 1 ATOM 1528 C C . ASP A 1 196 ? 4.734 14.884 -9.063 1.00 14.93 ? 216 ASP A C 1 ATOM 1529 O O . ASP A 1 196 ? 3.625 14.953 -8.525 1.00 13.83 ? 216 ASP A O 1 ATOM 1530 C CB . ASP A 1 196 ? 3.839 14.924 -11.412 1.00 16.06 ? 216 ASP A CB 1 ATOM 1531 C CG . ASP A 1 196 ? 4.018 16.427 -11.669 1.00 17.93 ? 216 ASP A CG 1 ATOM 1532 O OD1 . ASP A 1 196 ? 4.835 17.126 -11.027 1.00 18.63 ? 216 ASP A OD1 1 ATOM 1533 O OD2 . ASP A 1 196 ? 3.167 16.966 -12.440 1.00 20.42 ? 216 ASP A OD2 1 ATOM 1534 N N . ILE A 1 197 ? 5.863 15.309 -8.505 1.00 15.36 ? 217 ILE A N 1 ATOM 1535 C CA . ILE A 1 197 ? 5.906 15.890 -7.149 1.00 17.31 ? 217 ILE A CA 1 ATOM 1536 C C . ILE A 1 197 ? 5.049 17.123 -6.976 1.00 18.28 ? 217 ILE A C 1 ATOM 1537 O O . ILE A 1 197 ? 4.624 17.463 -5.835 1.00 19.33 ? 217 ILE A O 1 ATOM 1538 C CB . ILE A 1 197 ? 7.369 16.079 -6.663 1.00 18.11 ? 217 ILE A CB 1 ATOM 1539 C CG1 . ILE A 1 197 ? 7.442 16.290 -5.162 1.00 17.91 ? 217 ILE A CG1 1 ATOM 1540 C CG2 . ILE A 1 197 ? 8.075 17.190 -7.406 1.00 18.88 ? 217 ILE A CG2 1 ATOM 1541 C CD1 . ILE A 1 197 ? 6.864 15.161 -4.365 1.00 16.55 ? 217 ILE A CD1 1 ATOM 1542 N N . LYS A 1 198 ? 4.787 17.812 -8.086 1.00 18.35 ? 218 LYS A N 1 ATOM 1543 C CA A LYS A 1 198 ? 3.958 19.011 -8.078 0.50 19.25 ? 218 LYS A CA 1 ATOM 1544 C CA B LYS A 1 198 ? 3.964 19.013 -8.072 0.50 19.38 ? 218 LYS A CA 1 ATOM 1545 C C . LYS A 1 198 ? 2.483 18.750 -8.308 1.00 19.57 ? 218 LYS A C 1 ATOM 1546 O O . LYS A 1 198 ? 1.694 19.677 -8.319 1.00 21.05 ? 218 LYS A O 1 ATOM 1547 C CB . LYS A 1 198 ? 4.532 20.023 -9.075 1.00 21.05 ? 218 LYS A CB 1 ATOM 1548 C CG A LYS A 1 198 ? 5.791 20.664 -8.472 0.50 21.39 ? 218 LYS A CG 1 ATOM 1549 C CG B LYS A 1 198 ? 5.948 20.466 -8.747 0.50 23.14 ? 218 LYS A CG 1 ATOM 1550 C CD A LYS A 1 198 ? 5.515 21.128 -7.050 0.50 20.64 ? 218 LYS A CD 1 ATOM 1551 C CD B LYS A 1 198 ? 6.950 19.686 -9.602 0.50 23.25 ? 218 LYS A CD 1 ATOM 1552 C CE A LYS A 1 198 ? 4.371 22.153 -7.024 0.50 22.07 ? 218 LYS A CE 1 ATOM 1553 C CE B LYS A 1 198 ? 8.095 20.530 -10.082 0.50 24.21 ? 218 LYS A CE 1 ATOM 1554 N NZ A LYS A 1 198 ? 4.058 22.890 -5.755 0.50 21.57 ? 218 LYS A NZ 1 ATOM 1555 N NZ B LYS A 1 198 ? 9.224 20.492 -9.095 0.50 22.78 ? 218 LYS A NZ 1 ATOM 1556 N N . ASP A 1 199 ? 2.108 17.487 -8.490 1.00 16.25 ? 219 ASP A N 1 ATOM 1557 C CA . ASP A 1 199 ? 0.717 17.095 -8.628 1.00 16.32 ? 219 ASP A CA 1 ATOM 1558 C C . ASP A 1 199 ? 0.534 15.783 -7.852 1.00 15.64 ? 219 ASP A C 1 ATOM 1559 O O . ASP A 1 199 ? 0.336 14.712 -8.434 1.00 14.26 ? 219 ASP A O 1 ATOM 1560 C CB . ASP A 1 199 ? 0.288 16.904 -10.091 1.00 16.25 ? 219 ASP A CB 1 ATOM 1561 C CG . ASP A 1 199 ? -1.223 16.940 -10.274 1.00 18.05 ? 219 ASP A CG 1 ATOM 1562 O OD1 . ASP A 1 199 ? -1.961 16.764 -9.260 1.00 17.96 ? 219 ASP A OD1 1 ATOM 1563 O OD2 . ASP A 1 199 ? -1.644 17.136 -11.466 1.00 17.47 ? 219 ASP A OD2 1 ATOM 1564 N N . PRO A 1 200 ? 0.577 15.874 -6.510 1.00 15.04 ? 220 PRO A N 1 ATOM 1565 C CA . PRO A 1 200 ? 0.372 14.691 -5.660 1.00 14.30 ? 220 PRO A CA 1 ATOM 1566 C C . PRO A 1 200 ? -0.957 13.997 -5.848 1.00 13.90 ? 220 PRO A C 1 ATOM 1567 O O . PRO A 1 200 ? -1.017 12.778 -5.735 1.00 14.93 ? 220 PRO A O 1 ATOM 1568 C CB . PRO A 1 200 ? 0.481 15.248 -4.215 1.00 14.48 ? 220 PRO A CB 1 ATOM 1569 C CG . PRO A 1 200 ? 0.963 16.619 -4.341 1.00 16.68 ? 220 PRO A CG 1 ATOM 1570 C CD . PRO A 1 200 ? 0.829 17.097 -5.738 1.00 14.42 ? 220 PRO A CD 1 ATOM 1571 N N . VAL A 1 201 ? -2.034 14.740 -6.129 1.00 13.15 ? 221 VAL A N 1 ATOM 1572 C CA . VAL A 1 201 ? -3.348 14.167 -6.346 1.00 11.79 ? 221 VAL A CA 1 ATOM 1573 C C . VAL A 1 201 ? -3.334 13.323 -7.619 1.00 11.59 ? 221 VAL A C 1 ATOM 1574 O O . VAL A 1 201 ? -3.719 12.181 -7.585 1.00 11.11 ? 221 VAL A O 1 ATOM 1575 C CB . VAL A 1 201 ? -4.447 15.235 -6.380 1.00 12.90 ? 221 VAL A CB 1 ATOM 1576 C CG1 . VAL A 1 201 ? -5.816 14.606 -6.648 1.00 12.49 ? 221 VAL A CG1 1 ATOM 1577 C CG2 . VAL A 1 201 ? -4.531 15.960 -5.014 1.00 13.56 ? 221 VAL A CG2 1 ATOM 1578 N N . SER A 1 202 ? -2.843 13.877 -8.735 1.00 12.17 ? 222 SER A N 1 ATOM 1579 C CA . SER A 1 202 ? -2.732 13.113 -9.945 1.00 12.60 ? 222 SER A CA 1 ATOM 1580 C C . SER A 1 202 ? -1.879 11.874 -9.740 1.00 12.07 ? 222 SER A C 1 ATOM 1581 O O . SER A 1 202 ? -2.257 10.760 -10.128 1.00 10.67 ? 222 SER A O 1 ATOM 1582 C CB . SER A 1 202 ? -2.134 13.986 -11.052 1.00 15.75 ? 222 SER A CB 1 ATOM 1583 O OG . SER A 1 202 ? -1.834 13.157 -12.136 1.00 21.06 ? 222 SER A OG 1 ATOM 1584 N N . THR A 1 203 ? -0.715 12.077 -9.124 1.00 11.46 ? 223 THR A N 1 ATOM 1585 C CA . THR A 1 203 ? 0.197 10.984 -8.912 1.00 11.46 ? 223 THR A CA 1 ATOM 1586 C C . THR A 1 203 ? -0.396 9.841 -8.094 1.00 11.39 ? 223 THR A C 1 ATOM 1587 O O . THR A 1 203 ? -0.364 8.681 -8.524 1.00 12.50 ? 223 THR A O 1 ATOM 1588 C CB . THR A 1 203 ? 1.514 11.452 -8.278 1.00 12.58 ? 223 THR A CB 1 ATOM 1589 O OG1 . THR A 1 203 ? 2.137 12.447 -9.111 1.00 11.19 ? 223 THR A OG1 1 ATOM 1590 C CG2 . THR A 1 203 ? 2.452 10.175 -8.066 1.00 11.47 ? 223 THR A CG2 1 ATOM 1591 N N . SER A 1 204 ? -0.953 10.152 -6.923 1.00 11.23 ? 224 SER A N 1 ATOM 1592 C CA . SER A 1 204 ? -1.535 9.146 -6.103 1.00 11.76 ? 224 SER A CA 1 ATOM 1593 C C . SER A 1 204 ? -2.782 8.543 -6.718 1.00 11.21 ? 224 SER A C 1 ATOM 1594 O O . SER A 1 204 ? -3.020 7.347 -6.556 1.00 11.75 ? 224 SER A O 1 ATOM 1595 C CB . SER A 1 204 ? -1.744 9.625 -4.636 1.00 12.41 ? 224 SER A CB 1 ATOM 1596 O OG . SER A 1 204 ? -2.511 10.786 -4.512 1.00 15.42 ? 224 SER A OG 1 ATOM 1597 N N . MET A 1 205 ? -3.516 9.325 -7.506 1.00 11.39 ? 225 MET A N 1 ATOM 1598 C CA . MET A 1 205 ? -4.605 8.780 -8.291 1.00 11.59 ? 225 MET A CA 1 ATOM 1599 C C . MET A 1 205 ? -4.174 7.757 -9.341 1.00 11.57 ? 225 MET A C 1 ATOM 1600 O O . MET A 1 205 ? -4.891 6.794 -9.555 1.00 13.63 ? 225 MET A O 1 ATOM 1601 C CB . MET A 1 205 ? -5.509 9.872 -8.940 1.00 11.77 ? 225 MET A CB 1 ATOM 1602 C CG . MET A 1 205 ? -6.409 10.530 -7.934 1.00 11.80 ? 225 MET A CG 1 ATOM 1603 S SD . MET A 1 205 ? -7.733 9.489 -7.292 1.00 13.35 ? 225 MET A SD 1 ATOM 1604 C CE . MET A 1 205 ? -8.587 8.901 -8.753 1.00 14.84 ? 225 MET A CE 1 ATOM 1605 N N . ILE A 1 206 ? -3.042 7.971 -9.996 1.00 12.46 ? 226 ILE A N 1 ATOM 1606 C CA . ILE A 1 206 ? -2.526 6.957 -10.893 1.00 12.77 ? 226 ILE A CA 1 ATOM 1607 C C . ILE A 1 206 ? -2.409 5.623 -10.118 1.00 11.82 ? 226 ILE A C 1 ATOM 1608 O O . ILE A 1 206 ? -2.815 4.555 -10.579 1.00 10.29 ? 226 ILE A O 1 ATOM 1609 C CB . ILE A 1 206 ? -1.159 7.371 -11.498 1.00 13.75 ? 226 ILE A CB 1 ATOM 1610 C CG1 . ILE A 1 206 ? -1.315 8.518 -12.519 1.00 17.41 ? 226 ILE A CG1 1 ATOM 1611 C CG2 . ILE A 1 206 ? -0.452 6.189 -12.190 1.00 14.85 ? 226 ILE A CG2 1 ATOM 1612 C CD1 . ILE A 1 206 ? 0.053 9.117 -12.886 1.00 18.22 ? 226 ILE A CD1 1 ATOM 1613 N N . TRP A 1 207 ? -1.777 5.695 -8.948 1.00 11.03 ? 227 TRP A N 1 ATOM 1614 C CA . TRP A 1 207 ? -1.451 4.485 -8.176 1.00 10.84 ? 227 TRP A CA 1 ATOM 1615 C C . TRP A 1 207 ? -2.775 3.804 -7.699 1.00 10.80 ? 227 TRP A C 1 ATOM 1616 O O . TRP A 1 207 ? -2.918 2.615 -7.743 1.00 11.10 ? 227 TRP A O 1 ATOM 1617 C CB . TRP A 1 207 ? -0.559 4.848 -6.999 1.00 10.28 ? 227 TRP A CB 1 ATOM 1618 C CG . TRP A 1 207 ? 0.752 5.481 -7.366 1.00 10.38 ? 227 TRP A CG 1 ATOM 1619 C CD1 . TRP A 1 207 ? 1.375 5.443 -8.561 1.00 11.22 ? 227 TRP A CD1 1 ATOM 1620 C CD2 . TRP A 1 207 ? 1.604 6.245 -6.501 1.00 10.25 ? 227 TRP A CD2 1 ATOM 1621 N NE1 . TRP A 1 207 ? 2.584 6.146 -8.497 1.00 11.10 ? 227 TRP A NE1 1 ATOM 1622 C CE2 . TRP A 1 207 ? 2.721 6.645 -7.238 1.00 10.96 ? 227 TRP A CE2 1 ATOM 1623 C CE3 . TRP A 1 207 ? 1.491 6.671 -5.204 1.00 11.29 ? 227 TRP A CE3 1 ATOM 1624 C CZ2 . TRP A 1 207 ? 3.762 7.400 -6.675 1.00 11.05 ? 227 TRP A CZ2 1 ATOM 1625 C CZ3 . TRP A 1 207 ? 2.535 7.452 -4.640 1.00 11.82 ? 227 TRP A CZ3 1 ATOM 1626 C CH2 . TRP A 1 207 ? 3.633 7.783 -5.379 1.00 11.16 ? 227 TRP A CH2 1 ATOM 1627 N N . ALA A 1 208 ? -3.688 4.613 -7.204 1.00 10.47 ? 228 ALA A N 1 ATOM 1628 C CA . ALA A 1 208 ? -4.980 4.143 -6.715 1.00 11.20 ? 228 ALA A CA 1 ATOM 1629 C C . ALA A 1 208 ? -5.785 3.490 -7.851 1.00 11.39 ? 228 ALA A C 1 ATOM 1630 O O . ALA A 1 208 ? -6.356 2.385 -7.678 1.00 11.31 ? 228 ALA A O 1 ATOM 1631 C CB . ALA A 1 208 ? -5.720 5.292 -6.119 1.00 11.34 ? 228 ALA A CB 1 ATOM 1632 N N . ALA A 1 209 ? -5.734 4.120 -9.013 1.00 10.88 ? 229 ALA A N 1 ATOM 1633 C CA . ALA A 1 209 ? -6.413 3.600 -10.201 1.00 11.16 ? 229 ALA A CA 1 ATOM 1634 C C . ALA A 1 209 ? -5.807 2.264 -10.663 1.00 11.12 ? 229 ALA A C 1 ATOM 1635 O O . ALA A 1 209 ? -6.529 1.308 -10.970 1.00 10.00 ? 229 ALA A O 1 ATOM 1636 C CB . ALA A 1 209 ? -6.422 4.630 -11.325 1.00 10.90 ? 229 ALA A CB 1 ATOM 1637 N N . ASP A 1 210 ? -4.479 2.185 -10.644 1.00 10.74 ? 230 ASP A N 1 ATOM 1638 C CA . ASP A 1 210 ? -3.772 0.974 -10.966 1.00 10.54 ? 230 ASP A CA 1 ATOM 1639 C C . ASP A 1 210 ? -4.197 -0.158 -10.011 1.00 10.34 ? 230 ASP A C 1 ATOM 1640 O O . ASP A 1 210 ? -4.642 -1.216 -10.452 1.00 10.67 ? 230 ASP A O 1 ATOM 1641 C CB . ASP A 1 210 ? -2.235 1.284 -10.924 1.00 11.14 ? 230 ASP A CB 1 ATOM 1642 C CG . ASP A 1 210 ? -1.369 0.117 -11.214 1.00 11.57 ? 230 ASP A CG 1 ATOM 1643 O OD1 . ASP A 1 210 ? -1.818 -0.790 -11.952 1.00 12.90 ? 230 ASP A OD1 1 ATOM 1644 O OD2 . ASP A 1 210 ? -0.162 0.135 -10.768 1.00 12.31 ? 230 ASP A OD2 1 ATOM 1645 N N . ALA A 1 211 ? -4.057 0.052 -8.708 1.00 9.24 ? 231 ALA A N 1 ATOM 1646 C CA . ALA A 1 211 ? -4.460 -0.957 -7.761 1.00 10.25 ? 231 ALA A CA 1 ATOM 1647 C C . ALA A 1 211 ? -5.958 -1.327 -7.903 1.00 9.87 ? 231 ALA A C 1 ATOM 1648 O O . ALA A 1 211 ? -6.310 -2.503 -7.797 1.00 10.20 ? 231 ALA A O 1 ATOM 1649 C CB . ALA A 1 211 ? -4.152 -0.509 -6.355 1.00 10.83 ? 231 ALA A CB 1 ATOM 1650 N N . ASN A 1 212 ? -6.800 -0.336 -8.146 1.00 9.73 ? 232 ASN A N 1 ATOM 1651 C CA . ASN A 1 212 ? -8.211 -0.601 -8.230 1.00 10.06 ? 232 ASN A CA 1 ATOM 1652 C C . ASN A 1 212 ? -8.532 -1.541 -9.392 1.00 10.37 ? 232 ASN A C 1 ATOM 1653 O O . ASN A 1 212 ? -9.506 -2.304 -9.274 1.00 11.34 ? 232 ASN A O 1 ATOM 1654 C CB . ASN A 1 212 ? -8.995 0.696 -8.254 1.00 10.91 ? 232 ASN A CB 1 ATOM 1655 C CG . ASN A 1 212 ? -10.434 0.526 -8.736 1.00 11.52 ? 232 ASN A CG 1 ATOM 1656 O OD1 . ASN A 1 212 ? -10.719 0.616 -9.905 1.00 12.58 ? 232 ASN A OD1 1 ATOM 1657 N ND2 . ASN A 1 212 ? -11.338 0.344 -7.818 1.00 10.90 ? 232 ASN A ND2 1 ATOM 1658 N N . THR A 1 213 ? -7.762 -1.499 -10.516 1.00 10.73 ? 233 THR A N 1 ATOM 1659 C CA . THR A 1 213 ? -8.027 -2.453 -11.595 1.00 11.83 ? 233 THR A CA 1 ATOM 1660 C C . THR A 1 213 ? -8.006 -3.891 -11.146 1.00 12.69 ? 233 THR A C 1 ATOM 1661 O O . THR A 1 213 ? -8.743 -4.752 -11.707 1.00 12.32 ? 233 THR A O 1 ATOM 1662 C CB . THR A 1 213 ? -7.102 -2.296 -12.840 1.00 12.90 ? 233 THR A CB 1 ATOM 1663 O OG1 . THR A 1 213 ? -5.739 -2.585 -12.483 1.00 12.68 ? 233 THR A OG1 1 ATOM 1664 C CG2 . THR A 1 213 ? -7.186 -0.846 -13.382 1.00 13.82 ? 233 THR A CG2 1 ATOM 1665 N N . TYR A 1 214 ? -7.177 -4.197 -10.146 1.00 12.15 ? 234 TYR A N 1 ATOM 1666 C CA . TYR A 1 214 ? -7.117 -5.559 -9.602 1.00 12.06 ? 234 TYR A CA 1 ATOM 1667 C C . TYR A 1 214 ? -8.322 -6.003 -8.802 1.00 12.14 ? 234 TYR A C 1 ATOM 1668 O O . TYR A 1 214 ? -8.586 -7.207 -8.654 1.00 13.38 ? 234 TYR A O 1 ATOM 1669 C CB . TYR A 1 214 ? -5.827 -5.731 -8.823 1.00 12.08 ? 234 TYR A CB 1 ATOM 1670 C CG . TYR A 1 214 ? -4.599 -5.601 -9.695 1.00 12.08 ? 234 TYR A CG 1 ATOM 1671 C CD1 . TYR A 1 214 ? -4.069 -6.701 -10.332 1.00 13.38 ? 234 TYR A CD1 1 ATOM 1672 C CD2 . TYR A 1 214 ? -3.913 -4.414 -9.810 1.00 12.34 ? 234 TYR A CD2 1 ATOM 1673 C CE1 . TYR A 1 214 ? -2.902 -6.597 -11.129 1.00 13.76 ? 234 TYR A CE1 1 ATOM 1674 C CE2 . TYR A 1 214 ? -2.789 -4.282 -10.616 1.00 13.77 ? 234 TYR A CE2 1 ATOM 1675 C CZ . TYR A 1 214 ? -2.260 -5.392 -11.254 1.00 14.77 ? 234 TYR A CZ 1 ATOM 1676 O OH . TYR A 1 214 ? -1.115 -5.268 -12.044 1.00 16.48 ? 234 TYR A OH 1 ATOM 1677 N N . VAL A 1 215 ? -9.120 -5.064 -8.352 1.00 12.33 ? 235 VAL A N 1 ATOM 1678 C CA . VAL A 1 215 ? -10.393 -5.405 -7.726 1.00 12.80 ? 235 VAL A CA 1 ATOM 1679 C C . VAL A 1 215 ? -11.242 -6.207 -8.747 1.00 13.83 ? 235 VAL A C 1 ATOM 1680 O O . VAL A 1 215 ? -11.833 -7.220 -8.408 1.00 14.17 ? 235 VAL A O 1 ATOM 1681 C CB . VAL A 1 215 ? -11.173 -4.174 -7.234 1.00 12.48 ? 235 VAL A CB 1 ATOM 1682 C CG1 . VAL A 1 215 ? -12.520 -4.624 -6.666 1.00 12.10 ? 235 VAL A CG1 1 ATOM 1683 C CG2 . VAL A 1 215 ? -10.395 -3.405 -6.194 1.00 11.48 ? 235 VAL A CG2 1 ATOM 1684 N N . CYS A 1 216 ? -11.232 -5.741 -10.002 1.00 15.49 ? 236 CYS A N 1 ATOM 1685 C CA . CYS A 1 216 ? -11.977 -6.413 -11.101 1.00 17.41 ? 236 CYS A CA 1 ATOM 1686 C C . CYS A 1 216 ? -11.257 -7.637 -11.611 1.00 16.86 ? 236 CYS A C 1 ATOM 1687 O O . CYS A 1 216 ? -11.912 -8.676 -11.843 1.00 16.59 ? 236 CYS A O 1 ATOM 1688 C CB . CYS A 1 216 ? -12.273 -5.474 -12.247 1.00 18.54 ? 236 CYS A CB 1 ATOM 1689 S SG . CYS A 1 216 ? -13.594 -4.301 -11.885 1.00 19.45 ? 236 CYS A SG 1 ATOM 1690 N N . SER A 1 217 ? -9.934 -7.547 -11.772 1.00 14.41 ? 237 SER A N 1 ATOM 1691 C CA . SER A 1 217 ? -9.198 -8.622 -12.461 1.00 14.25 ? 237 SER A CA 1 ATOM 1692 C C . SER A 1 217 ? -8.904 -9.808 -11.583 1.00 14.49 ? 237 SER A C 1 ATOM 1693 O O . SER A 1 217 ? -8.691 -10.916 -12.093 1.00 13.51 ? 237 SER A O 1 ATOM 1694 C CB . SER A 1 217 ? -7.889 -8.075 -13.042 1.00 14.94 ? 237 SER A CB 1 ATOM 1695 O OG . SER A 1 217 ? -6.909 -7.866 -12.043 1.00 14.21 ? 237 SER A OG 1 ATOM 1696 N N . THR A 1 218 ? -8.905 -9.602 -10.241 1.00 13.17 ? 238 THR A N 1 ATOM 1697 C CA . THR A 1 218 ? -8.328 -10.550 -9.292 1.00 12.81 ? 238 THR A CA 1 ATOM 1698 C C . THR A 1 218 ? -9.125 -10.736 -8.000 1.00 12.73 ? 238 THR A C 1 ATOM 1699 O O . THR A 1 218 ? -9.416 -11.843 -7.589 1.00 13.24 ? 238 THR A O 1 ATOM 1700 C CB . THR A 1 218 ? -6.884 -10.117 -8.915 1.00 13.53 ? 238 THR A CB 1 ATOM 1701 O OG1 . THR A 1 218 ? -6.119 -9.892 -10.108 1.00 15.03 ? 238 THR A OG1 1 ATOM 1702 C CG2 . THR A 1 218 ? -6.154 -11.147 -8.091 1.00 14.37 ? 238 THR A CG2 1 ATOM 1703 N N . VAL A 1 219 ? -9.463 -9.641 -7.333 1.00 12.89 ? 239 VAL A N 1 ATOM 1704 C CA . VAL A 1 219 ? -10.066 -9.756 -6.006 1.00 12.01 ? 239 VAL A CA 1 ATOM 1705 C C . VAL A 1 219 ? -11.459 -10.393 -6.100 1.00 13.45 ? 239 VAL A C 1 ATOM 1706 O O . VAL A 1 219 ? -11.817 -11.239 -5.288 1.00 13.87 ? 239 VAL A O 1 ATOM 1707 C CB . VAL A 1 219 ? -10.179 -8.362 -5.300 1.00 11.62 ? 239 VAL A CB 1 ATOM 1708 C CG1 . VAL A 1 219 ? -10.809 -8.527 -3.924 1.00 12.07 ? 239 VAL A CG1 1 ATOM 1709 C CG2 . VAL A 1 219 ? -8.811 -7.727 -5.128 1.00 11.95 ? 239 VAL A CG2 1 ATOM 1710 N N . LEU A 1 220 ? -12.261 -9.870 -7.014 1.00 14.24 ? 240 LEU A N 1 ATOM 1711 C CA . LEU A 1 220 ? -13.684 -10.222 -7.138 1.00 15.87 ? 240 LEU A CA 1 ATOM 1712 C C . LEU A 1 220 ? -14.004 -10.861 -8.492 1.00 18.45 ? 240 LEU A C 1 ATOM 1713 O O . LEU A 1 220 ? -15.138 -11.131 -8.760 1.00 19.16 ? 240 LEU A O 1 ATOM 1714 C CB . LEU A 1 220 ? -14.538 -8.983 -6.948 1.00 15.64 ? 240 LEU A CB 1 ATOM 1715 C CG . LEU A 1 220 ? -14.469 -8.345 -5.550 1.00 17.27 ? 240 LEU A CG 1 ATOM 1716 C CD1 . LEU A 1 220 ? -15.291 -7.064 -5.472 1.00 17.82 ? 240 LEU A CD1 1 ATOM 1717 C CD2 . LEU A 1 220 ? -14.901 -9.331 -4.469 1.00 18.11 ? 240 LEU A CD2 1 ATOM 1718 N N . ASP A 1 221 ? -13.002 -11.146 -9.310 1.00 20.79 ? 241 ASP A N 1 ATOM 1719 C CA . ASP A 1 221 ? -13.299 -11.662 -10.650 1.00 25.96 ? 241 ASP A CA 1 ATOM 1720 C C . ASP A 1 221 ? -13.944 -13.047 -10.621 1.00 25.56 ? 241 ASP A C 1 ATOM 1721 O O . ASP A 1 221 ? -14.761 -13.342 -11.500 1.00 25.69 ? 241 ASP A O 1 ATOM 1722 C CB . ASP A 1 221 ? -12.072 -11.685 -11.539 1.00 29.88 ? 241 ASP A CB 1 ATOM 1723 C CG . ASP A 1 221 ? -11.179 -12.795 -11.229 1.00 32.64 ? 241 ASP A CG 1 ATOM 1724 O OD1 . ASP A 1 221 ? -10.806 -12.863 -10.045 1.00 37.69 ? 241 ASP A OD1 1 ATOM 1725 O OD2 . ASP A 1 221 ? -10.889 -13.613 -12.144 1.00 33.14 ? 241 ASP A OD2 1 ATOM 1726 N N . ASP A 1 222 ? -13.662 -13.852 -9.587 1.00 22.49 ? 242 ASP A N 1 ATOM 1727 C CA . ASP A 1 222 ? -14.399 -15.118 -9.396 1.00 25.13 ? 242 ASP A CA 1 ATOM 1728 C C . ASP A 1 222 ? -15.910 -14.966 -9.106 1.00 23.76 ? 242 ASP A C 1 ATOM 1729 O O . ASP A 1 222 ? -16.661 -15.956 -9.191 1.00 21.51 ? 242 ASP A O 1 ATOM 1730 C CB . ASP A 1 222 ? -13.792 -15.988 -8.291 1.00 25.98 ? 242 ASP A CB 1 ATOM 1731 C CG . ASP A 1 222 ? -12.395 -16.402 -8.615 1.00 30.50 ? 242 ASP A CG 1 ATOM 1732 O OD1 . ASP A 1 222 ? -12.132 -16.916 -9.718 1.00 40.40 ? 242 ASP A OD1 1 ATOM 1733 O OD2 . ASP A 1 222 ? -11.520 -16.147 -7.837 1.00 30.37 ? 242 ASP A OD2 1 ATOM 1734 N N . GLY A 1 223 ? -16.341 -13.754 -8.757 1.00 20.06 ? 243 GLY A N 1 ATOM 1735 C CA . GLY A 1 223 ? -17.698 -13.553 -8.327 1.00 21.04 ? 243 GLY A CA 1 ATOM 1736 C C . GLY A 1 223 ? -17.931 -13.861 -6.874 1.00 21.35 ? 243 GLY A C 1 ATOM 1737 O O . GLY A 1 223 ? -17.201 -14.661 -6.246 1.00 20.17 ? 243 GLY A O 1 ATOM 1738 N N . LEU A 1 224 ? -19.016 -13.278 -6.328 1.00 22.19 ? 244 LEU A N 1 ATOM 1739 C CA . LEU A 1 224 ? -19.385 -13.468 -4.926 1.00 23.25 ? 244 LEU A CA 1 ATOM 1740 C C . LEU A 1 224 ? -19.903 -14.847 -4.600 1.00 22.00 ? 244 LEU A C 1 ATOM 1741 O O . LEU A 1 224 ? -19.723 -15.288 -3.469 1.00 25.57 ? 244 LEU A O 1 ATOM 1742 C CB . LEU A 1 224 ? -20.306 -12.363 -4.383 1.00 25.04 ? 244 LEU A CB 1 ATOM 1743 C CG . LEU A 1 224 ? -19.713 -10.937 -4.331 1.00 26.85 ? 244 LEU A CG 1 ATOM 1744 C CD1 . LEU A 1 224 ? -20.738 -9.943 -3.868 1.00 28.84 ? 244 LEU A CD1 1 ATOM 1745 C CD2 . LEU A 1 224 ? -18.490 -10.814 -3.423 1.00 30.78 ? 244 LEU A CD2 1 ATOM 1746 N N . ALA A 1 225 ? -20.450 -15.590 -5.560 1.00 21.64 ? 245 ALA A N 1 ATOM 1747 C CA . ALA A 1 225 ? -20.879 -16.955 -5.249 1.00 21.31 ? 245 ALA A CA 1 ATOM 1748 C C . ALA A 1 225 ? -19.680 -17.803 -4.858 1.00 21.29 ? 245 ALA A C 1 ATOM 1749 O O . ALA A 1 225 ? -19.733 -18.576 -3.849 1.00 20.98 ? 245 ALA A O 1 ATOM 1750 C CB . ALA A 1 225 ? -21.617 -17.588 -6.409 1.00 24.21 ? 245 ALA A CB 1 ATOM 1751 N N . TYR A 1 226 ? -18.608 -17.655 -5.631 1.00 20.75 ? 246 TYR A N 1 ATOM 1752 C CA . TYR A 1 226 ? -17.360 -18.418 -5.365 1.00 19.44 ? 246 TYR A CA 1 ATOM 1753 C C . TYR A 1 226 ? -16.642 -17.951 -4.091 1.00 20.49 ? 246 TYR A C 1 ATOM 1754 O O . TYR A 1 226 ? -16.262 -18.772 -3.257 1.00 20.24 ? 246 TYR A O 1 ATOM 1755 C CB . TYR A 1 226 ? -16.426 -18.326 -6.535 1.00 18.45 ? 246 TYR A CB 1 ATOM 1756 C CG . TYR A 1 226 ? -15.057 -18.992 -6.285 1.00 18.48 ? 246 TYR A CG 1 ATOM 1757 C CD1 . TYR A 1 226 ? -14.036 -18.316 -5.639 1.00 17.82 ? 246 TYR A CD1 1 ATOM 1758 C CD2 . TYR A 1 226 ? -14.795 -20.252 -6.783 1.00 19.00 ? 246 TYR A CD2 1 ATOM 1759 C CE1 . TYR A 1 226 ? -12.815 -18.931 -5.439 1.00 18.06 ? 246 TYR A CE1 1 ATOM 1760 C CE2 . TYR A 1 226 ? -13.570 -20.851 -6.646 1.00 20.21 ? 246 TYR A CE2 1 ATOM 1761 C CZ . TYR A 1 226 ? -12.582 -20.175 -5.933 1.00 18.94 ? 246 TYR A CZ 1 ATOM 1762 O OH . TYR A 1 226 ? -11.394 -20.806 -5.806 1.00 23.85 ? 246 TYR A OH 1 ATOM 1763 N N . ILE A 1 227 ? -16.509 -16.632 -3.957 1.00 20.69 ? 247 ILE A N 1 ATOM 1764 C CA . ILE A 1 227 ? -15.921 -15.980 -2.762 1.00 21.24 ? 247 ILE A CA 1 ATOM 1765 C C . ILE A 1 227 ? -16.632 -16.332 -1.470 1.00 22.44 ? 247 ILE A C 1 ATOM 1766 O O . ILE A 1 227 ? -16.002 -16.541 -0.430 1.00 21.02 ? 247 ILE A O 1 ATOM 1767 C CB . ILE A 1 227 ? -15.847 -14.458 -2.956 1.00 22.11 ? 247 ILE A CB 1 ATOM 1768 C CG1 . ILE A 1 227 ? -14.687 -14.178 -3.900 1.00 24.31 ? 247 ILE A CG1 1 ATOM 1769 C CG2 . ILE A 1 227 ? -15.694 -13.740 -1.614 1.00 22.52 ? 247 ILE A CG2 1 ATOM 1770 C CD1 . ILE A 1 227 ? -14.707 -12.809 -4.448 1.00 26.19 ? 247 ILE A CD1 1 ATOM 1771 N N . ASN A 1 228 ? -17.952 -16.395 -1.517 1.00 21.30 ? 248 ASN A N 1 ATOM 1772 C CA . ASN A 1 228 ? -18.728 -16.731 -0.333 1.00 22.64 ? 248 ASN A CA 1 ATOM 1773 C C . ASN A 1 228 ? -18.701 -18.222 0.067 1.00 23.38 ? 248 ASN A C 1 ATOM 1774 O O . ASN A 1 228 ? -18.985 -18.539 1.213 1.00 25.71 ? 248 ASN A O 1 ATOM 1775 C CB . ASN A 1 228 ? -20.183 -16.304 -0.548 1.00 23.57 ? 248 ASN A CB 1 ATOM 1776 C CG . ASN A 1 228 ? -20.365 -14.805 -0.586 1.00 25.06 ? 248 ASN A CG 1 ATOM 1777 O OD1 . ASN A 1 228 ? -19.413 -14.012 -0.455 1.00 24.43 ? 248 ASN A OD1 1 ATOM 1778 N ND2 . ASN A 1 228 ? -21.619 -14.399 -0.789 1.00 25.15 ? 248 ASN A ND2 1 ATOM 1779 N N . SER A 1 229 ? -18.409 -19.123 -0.882 1.00 22.08 ? 249 SER A N 1 ATOM 1780 C CA . SER A 1 229 ? -18.658 -20.567 -0.716 1.00 21.46 ? 249 SER A CA 1 ATOM 1781 C C . SER A 1 229 ? -17.452 -21.508 -0.861 1.00 21.17 ? 249 SER A C 1 ATOM 1782 O O . SER A 1 229 ? -17.605 -22.738 -0.890 1.00 21.46 ? 249 SER A O 1 ATOM 1783 C CB . SER A 1 229 ? -19.729 -20.989 -1.724 1.00 22.42 ? 249 SER A CB 1 ATOM 1784 O OG . SER A 1 229 ? -19.231 -20.876 -3.040 1.00 24.30 ? 249 SER A OG 1 ATOM 1785 N N . THR A 1 230 ? -16.250 -20.953 -0.965 1.00 19.26 ? 250 THR A N 1 ATOM 1786 C CA . THR A 1 230 ? -15.027 -21.763 -1.091 1.00 17.61 ? 250 THR A CA 1 ATOM 1787 C C . THR A 1 230 ? -14.007 -21.271 -0.122 1.00 17.11 ? 250 THR A C 1 ATOM 1788 O O . THR A 1 230 ? -13.989 -20.071 0.219 1.00 16.17 ? 250 THR A O 1 ATOM 1789 C CB A THR A 1 230 ? -14.501 -21.519 -2.527 0.50 18.57 ? 250 THR A CB 1 ATOM 1790 C CB B THR A 1 230 ? -14.417 -21.802 -2.511 0.50 18.04 ? 250 THR A CB 1 ATOM 1791 O OG1 A THR A 1 230 ? -15.616 -21.531 -3.450 0.50 17.96 ? 250 THR A OG1 1 ATOM 1792 O OG1 B THR A 1 230 ? -14.041 -20.487 -2.923 0.50 17.00 ? 250 THR A OG1 1 ATOM 1793 C CG2 A THR A 1 230 ? -13.465 -22.519 -2.929 0.50 17.82 ? 250 THR A CG2 1 ATOM 1794 C CG2 B THR A 1 230 ? -15.423 -22.409 -3.504 0.50 17.48 ? 250 THR A CG2 1 ATOM 1795 N N . ASP A 1 231 ? -13.117 -22.168 0.296 1.00 16.81 ? 251 ASP A N 1 ATOM 1796 C CA . ASP A 1 231 ? -11.991 -21.784 1.151 1.00 17.72 ? 251 ASP A CA 1 ATOM 1797 C C . ASP A 1 231 ? -10.978 -21.075 0.257 1.00 16.15 ? 251 ASP A C 1 ATOM 1798 O O . ASP A 1 231 ? -10.500 -21.662 -0.706 1.00 15.20 ? 251 ASP A O 1 ATOM 1799 C CB . ASP A 1 231 ? -11.427 -23.049 1.800 1.00 16.71 ? 251 ASP A CB 1 ATOM 1800 C CG . ASP A 1 231 ? -10.341 -22.780 2.799 1.00 18.24 ? 251 ASP A CG 1 ATOM 1801 O OD1 . ASP A 1 231 ? -9.379 -21.989 2.539 1.00 15.87 ? 251 ASP A OD1 1 ATOM 1802 O OD2 . ASP A 1 231 ? -10.409 -23.400 3.881 1.00 18.34 ? 251 ASP A OD2 1 ATOM 1803 N N . LEU A 1 232 ? -10.677 -19.829 0.568 1.00 14.96 ? 252 LEU A N 1 ATOM 1804 C CA . LEU A 1 232 ? -9.874 -18.962 -0.318 1.00 14.08 ? 252 LEU A CA 1 ATOM 1805 C C . LEU A 1 232 ? -8.352 -19.173 -0.151 1.00 14.99 ? 252 LEU A C 1 ATOM 1806 O O . LEU A 1 232 ? -7.583 -18.476 -0.801 1.00 13.61 ? 252 LEU A O 1 ATOM 1807 C CB . LEU A 1 232 ? -10.280 -17.483 -0.132 1.00 14.54 ? 252 LEU A CB 1 ATOM 1808 C CG . LEU A 1 232 ? -11.792 -17.217 -0.341 1.00 14.30 ? 252 LEU A CG 1 ATOM 1809 C CD1 . LEU A 1 232 ? -12.154 -15.754 -0.259 1.00 13.83 ? 252 LEU A CD1 1 ATOM 1810 C CD2 . LEU A 1 232 ? -12.270 -17.769 -1.697 1.00 14.71 ? 252 LEU A CD2 1 ATOM 1811 N N . SER A 1 233 ? -7.937 -20.140 0.687 1.00 14.20 ? 253 SER A N 1 ATOM 1812 C CA . SER A 1 233 ? -6.551 -20.518 0.820 1.00 14.62 ? 253 SER A CA 1 ATOM 1813 C C . SER A 1 233 ? -6.095 -21.490 -0.286 1.00 15.39 ? 253 SER A C 1 ATOM 1814 O O . SER A 1 233 ? -4.907 -21.806 -0.340 1.00 15.21 ? 253 SER A O 1 ATOM 1815 C CB . SER A 1 233 ? -6.257 -21.082 2.201 1.00 16.03 ? 253 SER A CB 1 ATOM 1816 O OG . SER A 1 233 ? -6.863 -22.322 2.395 1.00 16.03 ? 253 SER A OG 1 ATOM 1817 N N . GLY A 1 234 ? -7.013 -21.937 -1.161 1.00 15.84 ? 254 GLY A N 1 ATOM 1818 C CA . GLY A 1 234 ? -6.648 -22.816 -2.288 1.00 16.03 ? 254 GLY A CA 1 ATOM 1819 C C . GLY A 1 234 ? -6.338 -21.997 -3.532 1.00 17.80 ? 254 GLY A C 1 ATOM 1820 O O . GLY A 1 234 ? -5.362 -21.197 -3.534 1.00 17.27 ? 254 GLY A O 1 ATOM 1821 N N . GLU A 1 235 ? -7.154 -22.185 -4.588 1.00 17.94 ? 255 GLU A N 1 ATOM 1822 C CA . GLU A 1 235 ? -6.857 -21.562 -5.864 1.00 17.88 ? 255 GLU A CA 1 ATOM 1823 C C . GLU A 1 235 ? -6.872 -20.042 -5.762 1.00 16.69 ? 255 GLU A C 1 ATOM 1824 O O . GLU A 1 235 ? -6.124 -19.368 -6.473 1.00 16.13 ? 255 GLU A O 1 ATOM 1825 C CB . GLU A 1 235 ? -7.762 -22.091 -6.991 1.00 20.97 ? 255 GLU A CB 1 ATOM 1826 C CG . GLU A 1 235 ? -7.379 -23.521 -7.370 1.00 24.35 ? 255 GLU A CG 1 ATOM 1827 C CD . GLU A 1 235 ? -8.047 -24.018 -8.657 1.00 28.17 ? 255 GLU A CD 1 ATOM 1828 O OE1 . GLU A 1 235 ? -9.231 -23.664 -8.879 1.00 29.61 ? 255 GLU A OE1 1 ATOM 1829 O OE2 . GLU A 1 235 ? -7.355 -24.760 -9.430 1.00 26.06 ? 255 GLU A OE2 1 ATOM 1830 N N . TYR A 1 236 ? -7.722 -19.505 -4.903 1.00 14.34 ? 256 TYR A N 1 ATOM 1831 C CA . TYR A 1 236 ? -7.842 -18.047 -4.749 1.00 14.14 ? 256 TYR A CA 1 ATOM 1832 C C . TYR A 1 236 ? -6.514 -17.409 -4.295 1.00 12.84 ? 256 TYR A C 1 ATOM 1833 O O . TYR A 1 236 ? -6.052 -16.456 -4.872 1.00 12.28 ? 256 TYR A O 1 ATOM 1834 C CB . TYR A 1 236 ? -8.992 -17.691 -3.826 1.00 13.19 ? 256 TYR A CB 1 ATOM 1835 C CG . TYR A 1 236 ? -9.261 -16.221 -3.743 1.00 14.25 ? 256 TYR A CG 1 ATOM 1836 C CD1 . TYR A 1 236 ? -8.590 -15.418 -2.803 1.00 13.41 ? 256 TYR A CD1 1 ATOM 1837 C CD2 . TYR A 1 236 ? -10.128 -15.581 -4.616 1.00 14.00 ? 256 TYR A CD2 1 ATOM 1838 C CE1 . TYR A 1 236 ? -8.858 -14.056 -2.723 1.00 13.68 ? 256 TYR A CE1 1 ATOM 1839 C CE2 . TYR A 1 236 ? -10.407 -14.212 -4.518 1.00 13.47 ? 256 TYR A CE2 1 ATOM 1840 C CZ . TYR A 1 236 ? -9.785 -13.466 -3.562 1.00 12.75 ? 256 TYR A CZ 1 ATOM 1841 O OH . TYR A 1 236 ? -9.990 -12.107 -3.506 1.00 12.49 ? 256 TYR A OH 1 ATOM 1842 N N . TYR A 1 237 ? -5.883 -18.023 -3.302 1.00 13.17 ? 257 TYR A N 1 ATOM 1843 C CA . TYR A 1 237 ? -4.544 -17.621 -2.856 1.00 13.58 ? 257 TYR A CA 1 ATOM 1844 C C . TYR A 1 237 ? -3.543 -17.735 -3.986 1.00 13.79 ? 257 TYR A C 1 ATOM 1845 O O . TYR A 1 237 ? -2.750 -16.835 -4.186 1.00 12.64 ? 257 TYR A O 1 ATOM 1846 C CB . TYR A 1 237 ? -4.115 -18.432 -1.639 1.00 13.76 ? 257 TYR A CB 1 ATOM 1847 C CG . TYR A 1 237 ? -2.691 -18.268 -1.287 1.00 14.65 ? 257 TYR A CG 1 ATOM 1848 C CD1 . TYR A 1 237 ? -2.284 -17.247 -0.441 1.00 14.42 ? 257 TYR A CD1 1 ATOM 1849 C CD2 . TYR A 1 237 ? -1.726 -19.139 -1.781 1.00 14.78 ? 257 TYR A CD2 1 ATOM 1850 C CE1 . TYR A 1 237 ? -0.936 -17.062 -0.151 1.00 14.76 ? 257 TYR A CE1 1 ATOM 1851 C CE2 . TYR A 1 237 ? -0.386 -18.959 -1.496 1.00 15.67 ? 257 TYR A CE2 1 ATOM 1852 C CZ . TYR A 1 237 ? -0.000 -17.942 -0.642 1.00 16.50 ? 257 TYR A CZ 1 ATOM 1853 O OH . TYR A 1 237 ? 1.339 -17.798 -0.311 1.00 16.59 ? 257 TYR A OH 1 ATOM 1854 N N . ASP A 1 238 ? -3.588 -18.846 -4.723 1.00 14.32 ? 258 ASP A N 1 ATOM 1855 C CA . ASP A 1 238 ? -2.614 -19.056 -5.816 1.00 15.26 ? 258 ASP A CA 1 ATOM 1856 C C . ASP A 1 238 ? -2.685 -17.955 -6.864 1.00 16.43 ? 258 ASP A C 1 ATOM 1857 O O . ASP A 1 238 ? -1.667 -17.505 -7.377 1.00 16.53 ? 258 ASP A O 1 ATOM 1858 C CB . ASP A 1 238 ? -2.916 -20.355 -6.516 1.00 18.09 ? 258 ASP A CB 1 ATOM 1859 C CG . ASP A 1 238 ? -2.697 -21.568 -5.621 1.00 19.63 ? 258 ASP A CG 1 ATOM 1860 O OD1 . ASP A 1 238 ? -2.028 -21.479 -4.572 1.00 20.76 ? 258 ASP A OD1 1 ATOM 1861 O OD2 . ASP A 1 238 ? -3.193 -22.630 -5.999 1.00 22.96 ? 258 ASP A OD2 1 ATOM 1862 N N . LYS A 1 239 ? -3.907 -17.570 -7.200 1.00 14.87 ? 259 LYS A N 1 ATOM 1863 C CA . LYS A 1 239 ? -4.247 -16.480 -8.146 1.00 17.32 ? 259 LYS A CA 1 ATOM 1864 C C . LYS A 1 239 ? -3.873 -15.085 -7.583 1.00 15.50 ? 259 LYS A C 1 ATOM 1865 O O . LYS A 1 239 ? -3.487 -14.180 -8.317 1.00 14.44 ? 259 LYS A O 1 ATOM 1866 C CB A LYS A 1 239 ? -5.746 -16.553 -8.461 0.50 18.92 ? 259 LYS A CB 1 ATOM 1867 C CB B LYS A 1 239 ? -5.754 -16.552 -8.449 0.50 18.29 ? 259 LYS A CB 1 ATOM 1868 C CG A LYS A 1 239 ? -6.344 -15.341 -9.116 0.50 22.27 ? 259 LYS A CG 1 ATOM 1869 C CG B LYS A 1 239 ? -6.384 -15.338 -9.067 0.50 21.08 ? 259 LYS A CG 1 ATOM 1870 C CD A LYS A 1 239 ? -7.842 -15.445 -9.121 0.50 24.55 ? 259 LYS A CD 1 ATOM 1871 C CD B LYS A 1 239 ? -7.898 -15.404 -9.005 0.50 23.11 ? 259 LYS A CD 1 ATOM 1872 C CE A LYS A 1 239 ? -8.379 -14.994 -7.793 0.50 25.34 ? 259 LYS A CE 1 ATOM 1873 C CE B LYS A 1 239 ? -8.505 -14.880 -10.296 0.50 23.71 ? 259 LYS A CE 1 ATOM 1874 N NZ A LYS A 1 239 ? -9.645 -14.384 -8.200 0.50 25.96 ? 259 LYS A NZ 1 ATOM 1875 N NZ B LYS A 1 239 ? -9.759 -15.632 -10.631 0.50 25.80 ? 259 LYS A NZ 1 ATOM 1876 N N . SER A 1 240 ? -4.026 -14.912 -6.282 1.00 13.35 ? 260 SER A N 1 ATOM 1877 C CA . SER A 1 240 ? -3.833 -13.595 -5.661 1.00 12.30 ? 260 SER A CA 1 ATOM 1878 C C . SER A 1 240 ? -2.339 -13.311 -5.354 1.00 11.71 ? 260 SER A C 1 ATOM 1879 O O . SER A 1 240 ? -1.895 -12.176 -5.376 1.00 11.93 ? 260 SER A O 1 ATOM 1880 C CB . SER A 1 240 ? -4.610 -13.524 -4.354 1.00 11.95 ? 260 SER A CB 1 ATOM 1881 O OG . SER A 1 240 ? -5.984 -13.602 -4.530 1.00 12.56 ? 260 SER A OG 1 ATOM 1882 N N . GLN A 1 241 ? -1.572 -14.351 -5.039 1.00 11.74 ? 261 GLN A N 1 ATOM 1883 C CA . GLN A 1 241 ? -0.213 -14.147 -4.631 1.00 12.23 ? 261 GLN A CA 1 ATOM 1884 C C . GLN A 1 241 ? 0.620 -13.281 -5.600 1.00 12.58 ? 261 GLN A C 1 ATOM 1885 O O . GLN A 1 241 ? 1.283 -12.341 -5.170 1.00 11.52 ? 261 GLN A O 1 ATOM 1886 C CB . GLN A 1 241 ? 0.503 -15.473 -4.330 1.00 13.50 ? 261 GLN A CB 1 ATOM 1887 C CG . GLN A 1 241 ? 1.936 -15.299 -3.855 1.00 13.84 ? 261 GLN A CG 1 ATOM 1888 C CD . GLN A 1 241 ? 2.628 -16.592 -3.561 1.00 16.80 ? 261 GLN A CD 1 ATOM 1889 O OE1 . GLN A 1 241 ? 2.102 -17.666 -3.878 1.00 20.46 ? 261 GLN A OE1 1 ATOM 1890 N NE2 . GLN A 1 241 ? 3.798 -16.528 -2.950 1.00 16.66 ? 261 GLN A NE2 1 ATOM 1891 N N . PRO A 1 242 ? 0.597 -13.600 -6.908 1.00 13.93 ? 262 PRO A N 1 ATOM 1892 C CA . PRO A 1 242 ? 1.424 -12.760 -7.813 1.00 14.25 ? 262 PRO A CA 1 ATOM 1893 C C . PRO A 1 242 ? 0.946 -11.290 -7.849 1.00 12.77 ? 262 PRO A C 1 ATOM 1894 O O . PRO A 1 242 ? 1.753 -10.383 -7.999 1.00 12.54 ? 262 PRO A O 1 ATOM 1895 C CB . PRO A 1 242 ? 1.332 -13.460 -9.188 1.00 14.22 ? 262 PRO A CB 1 ATOM 1896 C CG . PRO A 1 242 ? 0.389 -14.541 -9.057 1.00 15.14 ? 262 PRO A CG 1 ATOM 1897 C CD . PRO A 1 242 ? 0.032 -14.766 -7.598 1.00 14.74 ? 262 PRO A CD 1 ATOM 1898 N N . VAL A 1 243 ? -0.352 -11.068 -7.624 1.00 11.57 ? 263 VAL A N 1 ATOM 1899 C CA . VAL A 1 243 ? -0.880 -9.731 -7.554 1.00 10.72 ? 263 VAL A CA 1 ATOM 1900 C C . VAL A 1 243 ? -0.493 -8.953 -6.304 1.00 10.42 ? 263 VAL A C 1 ATOM 1901 O O . VAL A 1 243 ? 0.057 -7.832 -6.438 1.00 10.45 ? 263 VAL A O 1 ATOM 1902 C CB . VAL A 1 243 ? -2.393 -9.749 -7.774 1.00 11.17 ? 263 VAL A CB 1 ATOM 1903 C CG1 . VAL A 1 243 ? -2.999 -8.388 -7.474 1.00 10.76 ? 263 VAL A CG1 1 ATOM 1904 C CG2 . VAL A 1 243 ? -2.647 -10.212 -9.196 1.00 11.05 ? 263 VAL A CG2 1 ATOM 1905 N N . PHE A 1 244 ? -0.712 -9.508 -5.096 1.00 9.67 ? 264 PHE A N 1 ATOM 1906 C CA . PHE A 1 244 ? -0.323 -8.760 -3.911 1.00 9.96 ? 264 PHE A CA 1 ATOM 1907 C C . PHE A 1 244 ? 1.193 -8.571 -3.836 1.00 9.82 ? 264 PHE A C 1 ATOM 1908 O O . PHE A 1 244 ? 1.683 -7.548 -3.352 1.00 8.86 ? 264 PHE A O 1 ATOM 1909 C CB . PHE A 1 244 ? -0.946 -9.229 -2.570 1.00 10.08 ? 264 PHE A CB 1 ATOM 1910 C CG . PHE A 1 244 ? -0.665 -10.624 -2.161 1.00 10.47 ? 264 PHE A CG 1 ATOM 1911 C CD1 . PHE A 1 244 ? 0.566 -11.000 -1.607 1.00 11.22 ? 264 PHE A CD1 1 ATOM 1912 C CD2 . PHE A 1 244 ? -1.718 -11.579 -2.189 1.00 11.19 ? 264 PHE A CD2 1 ATOM 1913 C CE1 . PHE A 1 244 ? 0.797 -12.319 -1.191 1.00 11.60 ? 264 PHE A CE1 1 ATOM 1914 C CE2 . PHE A 1 244 ? -1.496 -12.883 -1.721 1.00 11.20 ? 264 PHE A CE2 1 ATOM 1915 C CZ . PHE A 1 244 ? -0.242 -13.259 -1.240 1.00 11.56 ? 264 PHE A CZ 1 ATOM 1916 N N . GLU A 1 245 ? 1.943 -9.540 -4.313 1.00 10.50 ? 265 GLU A N 1 ATOM 1917 C CA . GLU A 1 245 ? 3.421 -9.419 -4.278 1.00 11.57 ? 265 GLU A CA 1 ATOM 1918 C C . GLU A 1 245 ? 3.903 -8.315 -5.227 1.00 10.67 ? 265 GLU A C 1 ATOM 1919 O O . GLU A 1 245 ? 4.717 -7.460 -4.826 1.00 10.77 ? 265 GLU A O 1 ATOM 1920 C CB . GLU A 1 245 ? 4.113 -10.743 -4.565 1.00 11.96 ? 265 GLU A CB 1 ATOM 1921 C CG . GLU A 1 245 ? 3.936 -11.669 -3.376 1.00 11.98 ? 265 GLU A CG 1 ATOM 1922 C CD . GLU A 1 245 ? 4.667 -12.990 -3.430 1.00 13.19 ? 265 GLU A CD 1 ATOM 1923 O OE1 . GLU A 1 245 ? 4.781 -13.630 -2.367 1.00 14.14 ? 265 GLU A OE1 1 ATOM 1924 O OE2 . GLU A 1 245 ? 5.123 -13.388 -4.512 1.00 13.18 ? 265 GLU A OE2 1 ATOM 1925 N N . GLU A 1 246 ? 3.333 -8.272 -6.433 1.00 10.75 ? 266 GLU A N 1 ATOM 1926 C CA . GLU A 1 246 ? 3.653 -7.163 -7.346 1.00 10.94 ? 266 GLU A CA 1 ATOM 1927 C C . GLU A 1 246 ? 3.233 -5.797 -6.787 1.00 10.70 ? 266 GLU A C 1 ATOM 1928 O O . GLU A 1 246 ? 3.993 -4.815 -6.888 1.00 9.66 ? 266 GLU A O 1 ATOM 1929 C CB . GLU A 1 246 ? 3.110 -7.375 -8.759 1.00 12.35 ? 266 GLU A CB 1 ATOM 1930 C CG . GLU A 1 246 ? 3.661 -6.315 -9.685 1.00 14.01 ? 266 GLU A CG 1 ATOM 1931 C CD . GLU A 1 246 ? 3.154 -6.319 -11.111 1.00 16.63 ? 266 GLU A CD 1 ATOM 1932 O OE1 . GLU A 1 246 ? 3.411 -5.334 -11.818 1.00 21.40 ? 266 GLU A OE1 1 ATOM 1933 O OE2 . GLU A 1 246 ? 2.524 -7.263 -11.545 1.00 21.31 ? 266 GLU A OE2 1 ATOM 1934 N N . LEU A 1 247 ? 2.038 -5.744 -6.195 1.00 9.47 ? 267 LEU A N 1 ATOM 1935 C CA . LEU A 1 247 ? 1.549 -4.479 -5.618 1.00 9.44 ? 267 LEU A CA 1 ATOM 1936 C C . LEU A 1 247 ? 2.354 -3.996 -4.418 1.00 9.12 ? 267 LEU A C 1 ATOM 1937 O O . LEU A 1 247 ? 2.597 -2.795 -4.301 1.00 8.33 ? 267 LEU A O 1 ATOM 1938 C CB . LEU A 1 247 ? 0.073 -4.624 -5.298 1.00 9.34 ? 267 LEU A CB 1 ATOM 1939 C CG . LEU A 1 247 ? -0.778 -4.577 -6.556 1.00 10.01 ? 267 LEU A CG 1 ATOM 1940 C CD1 . LEU A 1 247 ? -2.185 -4.991 -6.226 1.00 10.80 ? 267 LEU A CD1 1 ATOM 1941 C CD2 . LEU A 1 247 ? -0.838 -3.194 -7.218 1.00 10.62 ? 267 LEU A CD2 1 ATOM 1942 N N . ILE A 1 248 ? 2.790 -4.915 -3.545 1.00 8.74 ? 268 ILE A N 1 ATOM 1943 C CA . ILE A 1 248 ? 3.689 -4.531 -2.455 1.00 8.86 ? 268 ILE A CA 1 ATOM 1944 C C . ILE A 1 248 ? 5.020 -3.965 -3.024 1.00 8.53 ? 268 ILE A C 1 ATOM 1945 O O . ILE A 1 248 ? 5.552 -2.930 -2.547 1.00 9.44 ? 268 ILE A O 1 ATOM 1946 C CB . ILE A 1 248 ? 3.868 -5.715 -1.454 1.00 9.32 ? 268 ILE A CB 1 ATOM 1947 C CG1 . ILE A 1 248 ? 2.573 -5.928 -0.657 1.00 10.15 ? 268 ILE A CG1 1 ATOM 1948 C CG2 . ILE A 1 248 ? 5.044 -5.487 -0.494 1.00 9.39 ? 268 ILE A CG2 1 ATOM 1949 C CD1 . ILE A 1 248 ? 2.484 -7.284 0.058 1.00 10.81 ? 268 ILE A CD1 1 ATOM 1950 N N . ALA A 1 249 ? 5.571 -4.648 -4.003 1.00 8.17 ? 269 ALA A N 1 ATOM 1951 C CA . ALA A 1 249 ? 6.792 -4.184 -4.727 1.00 8.79 ? 269 ALA A CA 1 ATOM 1952 C C . ALA A 1 249 ? 6.608 -2.792 -5.338 1.00 9.03 ? 269 ALA A C 1 ATOM 1953 O O . ALA A 1 249 ? 7.458 -1.907 -5.118 1.00 8.28 ? 269 ALA A O 1 ATOM 1954 C CB . ALA A 1 249 ? 7.226 -5.187 -5.777 1.00 8.51 ? 269 ALA A CB 1 ATOM 1955 N N . LYS A 1 250 ? 5.485 -2.603 -6.068 1.00 9.71 ? 270 LYS A N 1 ATOM 1956 C CA . LYS A 1 250 ? 5.144 -1.276 -6.630 1.00 9.77 ? 270 LYS A CA 1 ATOM 1957 C C . LYS A 1 250 ? 5.058 -0.190 -5.569 1.00 9.14 ? 270 LYS A C 1 ATOM 1958 O O . LYS A 1 250 ? 5.598 0.947 -5.745 1.00 7.96 ? 270 LYS A O 1 ATOM 1959 C CB . LYS A 1 250 ? 3.792 -1.274 -7.378 1.00 10.58 ? 270 LYS A CB 1 ATOM 1960 C CG . LYS A 1 250 ? 3.764 -2.009 -8.702 1.00 12.09 ? 270 LYS A CG 1 ATOM 1961 C CD . LYS A 1 250 ? 2.471 -1.749 -9.424 1.00 13.25 ? 270 LYS A CD 1 ATOM 1962 C CE . LYS A 1 250 ? 2.385 -2.480 -10.719 1.00 15.09 ? 270 LYS A CE 1 ATOM 1963 N NZ . LYS A 1 250 ? 1.520 -1.745 -11.651 1.00 15.91 ? 270 LYS A NZ 1 ATOM 1964 N N . ALA A 1 251 ? 4.428 -0.542 -4.443 1.00 8.36 ? 271 ALA A N 1 ATOM 1965 C CA . ALA A 1 251 ? 4.333 0.393 -3.369 1.00 8.44 ? 271 ALA A CA 1 ATOM 1966 C C . ALA A 1 251 ? 5.694 0.808 -2.842 1.00 8.45 ? 271 ALA A C 1 ATOM 1967 O O . ALA A 1 251 ? 5.947 1.969 -2.610 1.00 7.76 ? 271 ALA A O 1 ATOM 1968 C CB . ALA A 1 251 ? 3.458 -0.169 -2.224 1.00 8.95 ? 271 ALA A CB 1 ATOM 1969 N N . GLY A 1 252 ? 6.593 -0.157 -2.626 1.00 8.34 ? 272 GLY A N 1 ATOM 1970 C CA . GLY A 1 252 ? 7.926 0.165 -2.138 1.00 7.94 ? 272 GLY A CA 1 ATOM 1971 C C . GLY A 1 252 ? 8.748 1.006 -3.109 1.00 7.59 ? 272 GLY A C 1 ATOM 1972 O O . GLY A 1 252 ? 9.393 2.004 -2.715 1.00 7.88 ? 272 GLY A O 1 ATOM 1973 N N . TYR A 1 253 ? 8.655 0.683 -4.389 1.00 7.84 ? 273 TYR A N 1 ATOM 1974 C CA . TYR A 1 253 ? 9.389 1.360 -5.442 1.00 7.85 ? 273 TYR A CA 1 ATOM 1975 C C . TYR A 1 253 ? 8.870 2.773 -5.667 1.00 7.92 ? 273 TYR A C 1 ATOM 1976 O O . TYR A 1 253 ? 9.652 3.723 -5.691 1.00 7.89 ? 273 TYR A O 1 ATOM 1977 C CB . TYR A 1 253 ? 9.308 0.549 -6.711 1.00 7.90 ? 273 TYR A CB 1 ATOM 1978 C CG . TYR A 1 253 ? 10.291 0.948 -7.733 1.00 8.44 ? 273 TYR A CG 1 ATOM 1979 C CD1 . TYR A 1 253 ? 11.699 0.759 -7.515 1.00 8.95 ? 273 TYR A CD1 1 ATOM 1980 C CD2 . TYR A 1 253 ? 9.873 1.521 -8.947 1.00 8.99 ? 273 TYR A CD2 1 ATOM 1981 C CE1 . TYR A 1 253 ? 12.612 1.137 -8.493 1.00 10.90 ? 273 TYR A CE1 1 ATOM 1982 C CE2 . TYR A 1 253 ? 10.805 1.882 -9.930 1.00 10.03 ? 273 TYR A CE2 1 ATOM 1983 C CZ . TYR A 1 253 ? 12.146 1.655 -9.705 1.00 10.95 ? 273 TYR A CZ 1 ATOM 1984 O OH . TYR A 1 253 ? 13.072 2.053 -10.670 1.00 14.77 ? 273 TYR A OH 1 ATOM 1985 N N . ARG A 1 254 ? 7.549 2.900 -5.748 1.00 8.01 ? 274 ARG A N 1 ATOM 1986 C CA . ARG A 1 254 ? 6.925 4.215 -5.802 1.00 8.09 ? 274 ARG A CA 1 ATOM 1987 C C . ARG A 1 254 ? 7.138 5.079 -4.570 1.00 8.02 ? 274 ARG A C 1 ATOM 1988 O O . ARG A 1 254 ? 7.427 6.291 -4.729 1.00 7.89 ? 274 ARG A O 1 ATOM 1989 C CB . ARG A 1 254 ? 5.440 4.061 -6.108 1.00 8.13 ? 274 ARG A CB 1 ATOM 1990 C CG . ARG A 1 254 ? 5.154 3.624 -7.548 1.00 8.33 ? 274 ARG A CG 1 ATOM 1991 C CD . ARG A 1 254 ? 3.751 3.025 -7.729 1.00 8.89 ? 274 ARG A CD 1 ATOM 1992 N NE . ARG A 1 254 ? 3.468 2.777 -9.142 1.00 9.90 ? 274 ARG A NE 1 ATOM 1993 C CZ . ARG A 1 254 ? 2.347 2.209 -9.614 1.00 9.80 ? 274 ARG A CZ 1 ATOM 1994 N NH1 . ARG A 1 254 ? 1.377 1.816 -8.806 1.00 9.71 ? 274 ARG A NH1 1 ATOM 1995 N NH2 . ARG A 1 254 ? 2.158 2.077 -10.950 1.00 9.74 ? 274 ARG A NH2 1 ATOM 1996 N N . LEU A 1 255 ? 7.051 4.484 -3.359 1.00 8.12 ? 275 LEU A N 1 ATOM 1997 C CA . LEU A 1 255 ? 7.426 5.191 -2.169 1.00 8.48 ? 275 LEU A CA 1 ATOM 1998 C C . LEU A 1 255 ? 8.874 5.757 -2.201 1.00 8.74 ? 275 LEU A C 1 ATOM 1999 O O . LEU A 1 255 ? 9.123 6.946 -1.857 1.00 8.16 ? 275 LEU A O 1 ATOM 2000 C CB . LEU A 1 255 ? 7.294 4.283 -0.950 1.00 9.16 ? 275 LEU A CB 1 ATOM 2001 C CG . LEU A 1 255 ? 7.711 4.906 0.413 1.00 8.84 ? 275 LEU A CG 1 ATOM 2002 C CD1 . LEU A 1 255 ? 7.026 6.245 0.719 1.00 9.11 ? 275 LEU A CD1 1 ATOM 2003 C CD2 . LEU A 1 255 ? 7.451 3.883 1.541 1.00 9.50 ? 275 LEU A CD2 1 ATOM 2004 N N . ALA A 1 256 ? 9.821 4.923 -2.628 1.00 9.07 ? 276 ALA A N 1 ATOM 2005 C CA . ALA A 1 256 ? 11.223 5.373 -2.793 1.00 9.71 ? 276 ALA A CA 1 ATOM 2006 C C . ALA A 1 256 ? 11.357 6.574 -3.753 1.00 9.40 ? 276 ALA A C 1 ATOM 2007 O O . ALA A 1 256 ? 12.034 7.560 -3.441 1.00 10.81 ? 276 ALA A O 1 ATOM 2008 C CB . ALA A 1 256 ? 12.119 4.243 -3.265 1.00 9.25 ? 276 ALA A CB 1 ATOM 2009 N N . ALA A 1 257 ? 10.711 6.477 -4.903 1.00 9.86 ? 277 ALA A N 1 ATOM 2010 C CA . ALA A 1 257 ? 10.724 7.562 -5.930 1.00 10.18 ? 277 ALA A CA 1 ATOM 2011 C C . ALA A 1 257 ? 10.151 8.846 -5.374 1.00 10.67 ? 277 ALA A C 1 ATOM 2012 O O . ALA A 1 257 ? 10.699 9.926 -5.566 1.00 10.22 ? 277 ALA A O 1 ATOM 2013 C CB . ALA A 1 257 ? 9.972 7.144 -7.170 1.00 10.88 ? 277 ALA A CB 1 ATOM 2014 N N . TRP A 1 258 ? 9.074 8.701 -4.601 1.00 11.38 ? 278 TRP A N 1 ATOM 2015 C CA . TRP A 1 258 ? 8.378 9.831 -3.986 1.00 10.88 ? 278 TRP A CA 1 ATOM 2016 C C . TRP A 1 258 ? 9.246 10.474 -2.957 1.00 11.16 ? 278 TRP A C 1 ATOM 2017 O O . TRP A 1 258 ? 9.418 11.708 -2.967 1.00 11.06 ? 278 TRP A O 1 ATOM 2018 C CB . TRP A 1 258 ? 7.032 9.389 -3.405 1.00 11.18 ? 278 TRP A CB 1 ATOM 2019 C CG . TRP A 1 258 ? 6.009 10.424 -3.186 1.00 10.64 ? 278 TRP A CG 1 ATOM 2020 C CD1 . TRP A 1 258 ? 5.464 10.774 -1.981 1.00 11.26 ? 278 TRP A CD1 1 ATOM 2021 C CD2 . TRP A 1 258 ? 5.398 11.261 -4.176 1.00 11.12 ? 278 TRP A CD2 1 ATOM 2022 N NE1 . TRP A 1 258 ? 4.533 11.816 -2.170 1.00 11.26 ? 278 TRP A NE1 1 ATOM 2023 C CE2 . TRP A 1 258 ? 4.489 12.112 -3.512 1.00 11.27 ? 278 TRP A CE2 1 ATOM 2024 C CE3 . TRP A 1 258 ? 5.566 11.402 -5.571 1.00 12.45 ? 278 TRP A CE3 1 ATOM 2025 C CZ2 . TRP A 1 258 ? 3.718 13.083 -4.202 1.00 11.53 ? 278 TRP A CZ2 1 ATOM 2026 C CZ3 . TRP A 1 258 ? 4.774 12.377 -6.271 1.00 11.46 ? 278 TRP A CZ3 1 ATOM 2027 C CH2 . TRP A 1 258 ? 3.870 13.161 -5.583 1.00 11.92 ? 278 TRP A CH2 1 ATOM 2028 N N . LEU A 1 259 ? 9.822 9.666 -2.080 1.00 10.66 ? 279 LEU A N 1 ATOM 2029 C CA . LEU A 1 259 ? 10.746 10.251 -1.056 1.00 11.28 ? 279 LEU A CA 1 ATOM 2030 C C . LEU A 1 259 ? 11.941 10.940 -1.699 1.00 11.05 ? 279 LEU A C 1 ATOM 2031 O O . LEU A 1 259 ? 12.364 11.999 -1.260 1.00 11.41 ? 279 LEU A O 1 ATOM 2032 C CB . LEU A 1 259 ? 11.214 9.208 -0.042 1.00 11.53 ? 279 LEU A CB 1 ATOM 2033 C CG . LEU A 1 259 ? 10.097 8.563 0.800 1.00 11.42 ? 279 LEU A CG 1 ATOM 2034 C CD1 . LEU A 1 259 ? 10.660 7.385 1.572 1.00 11.10 ? 279 LEU A CD1 1 ATOM 2035 C CD2 . LEU A 1 259 ? 9.444 9.602 1.710 1.00 12.93 ? 279 LEU A CD2 1 ATOM 2036 N N . ASP A 1 260 ? 12.474 10.345 -2.741 1.00 11.34 ? 280 ASP A N 1 ATOM 2037 C CA . ASP A 1 260 ? 13.570 10.970 -3.494 1.00 12.46 ? 280 ASP A CA 1 ATOM 2038 C C . ASP A 1 260 ? 13.158 12.353 -4.039 1.00 13.11 ? 280 ASP A C 1 ATOM 2039 O O . ASP A 1 260 ? 13.976 13.285 -4.004 1.00 12.87 ? 280 ASP A O 1 ATOM 2040 C CB . ASP A 1 260 ? 14.038 10.098 -4.653 1.00 13.44 ? 280 ASP A CB 1 ATOM 2041 C CG . ASP A 1 260 ? 14.947 9.003 -4.251 1.00 14.89 ? 280 ASP A CG 1 ATOM 2042 O OD1 . ASP A 1 260 ? 15.578 8.995 -3.194 1.00 15.31 ? 280 ASP A OD1 1 ATOM 2043 O OD2 . ASP A 1 260 ? 15.091 8.077 -5.079 1.00 15.37 ? 280 ASP A OD2 1 ATOM 2044 N N . LEU A 1 261 ? 11.935 12.477 -4.562 1.00 12.57 ? 281 LEU A N 1 ATOM 2045 C CA . LEU A 1 261 ? 11.465 13.767 -5.043 1.00 13.07 ? 281 LEU A CA 1 ATOM 2046 C C . LEU A 1 261 ? 11.278 14.776 -3.910 1.00 13.45 ? 281 LEU A C 1 ATOM 2047 O O . LEU A 1 261 ? 11.621 15.918 -4.078 1.00 14.15 ? 281 LEU A O 1 ATOM 2048 C CB . LEU A 1 261 ? 10.192 13.654 -5.909 1.00 12.86 ? 281 LEU A CB 1 ATOM 2049 C CG . LEU A 1 261 ? 10.413 12.897 -7.229 1.00 13.97 ? 281 LEU A CG 1 ATOM 2050 C CD1 . LEU A 1 261 ? 9.107 12.402 -7.845 1.00 14.92 ? 281 LEU A CD1 1 ATOM 2051 C CD2 . LEU A 1 261 ? 11.205 13.693 -8.231 1.00 15.30 ? 281 LEU A CD2 1 ATOM 2052 N N . ILE A 1 262 ? 10.734 14.337 -2.768 1.00 13.27 ? 282 ILE A N 1 ATOM 2053 C CA . ILE A 1 262 ? 10.543 15.212 -1.614 1.00 13.54 ? 282 ILE A CA 1 ATOM 2054 C C . ILE A 1 262 ? 11.874 15.790 -1.140 1.00 15.05 ? 282 ILE A C 1 ATOM 2055 O O . ILE A 1 262 ? 11.995 16.985 -0.842 1.00 16.81 ? 282 ILE A O 1 ATOM 2056 C CB . ILE A 1 262 ? 9.800 14.442 -0.452 1.00 13.55 ? 282 ILE A CB 1 ATOM 2057 C CG1 . ILE A 1 262 ? 8.330 14.215 -0.871 1.00 13.57 ? 282 ILE A CG1 1 ATOM 2058 C CG2 . ILE A 1 262 ? 9.864 15.200 0.859 1.00 13.97 ? 282 ILE A CG2 1 ATOM 2059 C CD1 . ILE A 1 262 ? 7.539 13.287 0.015 1.00 13.63 ? 282 ILE A CD1 1 ATOM 2060 N N . ALA A 1 263 ? 12.876 14.936 -1.082 1.00 14.96 ? 283 ALA A N 1 ATOM 2061 C CA . ALA A 1 263 ? 14.184 15.302 -0.556 1.00 17.31 ? 283 ALA A CA 1 ATOM 2062 C C . ALA A 1 263 ? 14.995 16.139 -1.527 1.00 22.19 ? 283 ALA A C 1 ATOM 2063 O O . ALA A 1 263 ? 16.040 16.652 -1.147 1.00 20.66 ? 283 ALA A O 1 ATOM 2064 C CB . ALA A 1 263 ? 14.961 14.035 -0.167 1.00 16.76 ? 283 ALA A CB 1 ATOM 2065 N N . SER A 1 264 ? 14.541 16.269 -2.781 1.00 24.89 ? 284 SER A N 1 ATOM 2066 C CA . SER A 1 264 ? 15.240 17.061 -3.821 1.00 26.66 ? 284 SER A CA 1 ATOM 2067 C C . SER A 1 264 ? 14.535 18.160 -4.692 1.00 31.32 ? 284 SER A C 1 ATOM 2068 O O . SER A 1 264 ? 15.240 19.041 -5.214 1.00 34.97 ? 284 SER A O 1 ATOM 2069 C CB . SER A 1 264 ? 15.872 16.054 -4.754 1.00 27.70 ? 284 SER A CB 1 ATOM 2070 O OG . SER A 1 264 ? 14.868 15.470 -5.624 1.00 24.74 ? 284 SER A OG 1 ATOM 2071 N N . GLN A 1 265 ? 13.194 18.169 -4.819 1.00 31.71 ? 285 GLN A N 1 ATOM 2072 C CA . GLN A 1 265 ? 12.480 19.087 -5.785 1.00 29.43 ? 285 GLN A CA 1 ATOM 2073 C C . GLN A 1 265 ? 11.818 20.318 -5.185 1.00 30.14 ? 285 GLN A C 1 ATOM 2074 O O . GLN A 1 265 ? 11.297 20.232 -4.073 1.00 29.30 ? 285 GLN A O 1 ATOM 2075 C CB . GLN A 1 265 ? 11.375 18.347 -6.550 1.00 29.42 ? 285 GLN A CB 1 ATOM 2076 C CG . GLN A 1 265 ? 11.875 17.018 -7.095 1.00 33.71 ? 285 GLN A CG 1 ATOM 2077 C CD . GLN A 1 265 ? 12.840 17.191 -8.267 1.00 36.48 ? 285 GLN A CD 1 ATOM 2078 O OE1 . GLN A 1 265 ? 12.446 17.582 -9.367 1.00 39.13 ? 285 GLN A OE1 1 ATOM 2079 N NE2 . GLN A 1 265 ? 14.109 16.863 -8.039 1.00 36.40 ? 285 GLN A NE2 1 ATOM 2080 N N . PRO A 1 266 ? 11.764 21.445 -5.942 1.00 28.52 ? 286 PRO A N 1 ATOM 2081 C CA . PRO A 1 266 ? 11.051 22.607 -5.456 1.00 32.54 ? 286 PRO A CA 1 ATOM 2082 C C . PRO A 1 266 ? 9.513 22.467 -5.542 1.00 36.02 ? 286 PRO A C 1 ATOM 2083 O O . PRO A 1 266 ? 9.011 21.621 -6.281 1.00 35.55 ? 286 PRO A O 1 ATOM 2084 C CB . PRO A 1 266 ? 11.525 23.738 -6.393 1.00 34.36 ? 286 PRO A CB 1 ATOM 2085 C CG . PRO A 1 266 ? 11.887 23.016 -7.682 1.00 35.22 ? 286 PRO A CG 1 ATOM 2086 C CD . PRO A 1 266 ? 12.438 21.699 -7.236 1.00 33.45 ? 286 PRO A CD 1 ATOM 2087 N N . SER A 1 267 ? 8.812 23.305 -4.788 1.00 34.59 ? 287 SER A N 1 ATOM 2088 C CA . SER A 1 267 ? 7.371 23.524 -4.979 1.00 38.81 ? 287 SER A CA 1 ATOM 2089 C C . SER A 1 267 ? 7.140 24.437 -6.206 1.00 35.98 ? 287 SER A C 1 ATOM 2090 O O . SER A 1 267 ? 5.973 24.711 -6.581 1.00 26.75 ? 287 SER A O 1 ATOM 2091 C CB . SER A 1 267 ? 6.716 24.122 -3.714 1.00 44.69 ? 287 SER A CB 1 ATOM 2092 O OG . SER A 1 267 ? 6.488 23.101 -2.764 1.00 49.77 ? 287 SER A OG 1 ATOM 2093 O OXT . SER A 1 267 ? 8.127 24.929 -6.801 1.00 36.63 ? 287 SER A OXT 1 ATOM 2094 N N . TRP B 1 1 ? -4.936 15.801 -22.825 1.00 8.63 ? 21 TRP B N 1 ATOM 2095 C CA . TRP B 1 1 ? -5.604 16.553 -21.866 1.00 8.50 ? 21 TRP B CA 1 ATOM 2096 C C . TRP B 1 1 ? -5.679 15.750 -20.609 1.00 8.65 ? 21 TRP B C 1 ATOM 2097 O O . TRP B 1 1 ? -5.596 14.528 -20.635 1.00 8.13 ? 21 TRP B O 1 ATOM 2098 C CB . TRP B 1 1 ? -7.070 16.952 -22.321 1.00 8.61 ? 21 TRP B CB 1 ATOM 2099 C CG . TRP B 1 1 ? -7.150 17.639 -23.709 1.00 8.87 ? 21 TRP B CG 1 ATOM 2100 C CD1 . TRP B 1 1 ? -7.517 17.030 -24.886 1.00 8.48 ? 21 TRP B CD1 1 ATOM 2101 C CD2 . TRP B 1 1 ? -6.874 19.012 -24.044 1.00 8.86 ? 21 TRP B CD2 1 ATOM 2102 N NE1 . TRP B 1 1 ? -7.443 17.929 -25.928 1.00 9.40 ? 21 TRP B NE1 1 ATOM 2103 C CE2 . TRP B 1 1 ? -7.054 19.150 -25.441 1.00 8.98 ? 21 TRP B CE2 1 ATOM 2104 C CE3 . TRP B 1 1 ? -6.403 20.105 -23.342 1.00 9.21 ? 21 TRP B CE3 1 ATOM 2105 C CZ2 . TRP B 1 1 ? -6.874 20.357 -26.101 1.00 8.49 ? 21 TRP B CZ2 1 ATOM 2106 C CZ3 . TRP B 1 1 ? -6.226 21.334 -24.026 1.00 9.27 ? 21 TRP B CZ3 1 ATOM 2107 C CH2 . TRP B 1 1 ? -6.427 21.434 -25.382 1.00 9.20 ? 21 TRP B CH2 1 ATOM 2108 N N . GLY B 1 2 ? -5.889 16.473 -19.504 1.00 8.60 ? 22 GLY B N 1 ATOM 2109 C CA . GLY B 1 2 ? -6.340 15.850 -18.263 1.00 9.69 ? 22 GLY B CA 1 ATOM 2110 C C . GLY B 1 2 ? -7.853 15.569 -18.321 1.00 10.26 ? 22 GLY B C 1 ATOM 2111 O O . GLY B 1 2 ? -8.531 15.677 -19.356 1.00 9.19 ? 22 GLY B O 1 ATOM 2112 N N . ASN B 1 3 ? -8.383 15.155 -17.192 1.00 10.63 ? 23 ASN B N 1 ATOM 2113 C CA . ASN B 1 3 ? -9.735 14.583 -17.182 1.00 11.82 ? 23 ASN B CA 1 ATOM 2114 C C . ASN B 1 3 ? -10.786 15.567 -17.659 1.00 10.92 ? 23 ASN B C 1 ATOM 2115 O O . ASN B 1 3 ? -11.663 15.168 -18.409 1.00 9.98 ? 23 ASN B O 1 ATOM 2116 C CB . ASN B 1 3 ? -10.117 14.094 -15.746 1.00 13.73 ? 23 ASN B CB 1 ATOM 2117 C CG . ASN B 1 3 ? -9.304 12.881 -15.314 1.00 18.10 ? 23 ASN B CG 1 ATOM 2118 O OD1 . ASN B 1 3 ? -8.416 12.387 -16.068 1.00 18.34 ? 23 ASN B OD1 1 ATOM 2119 N ND2 . ASN B 1 3 ? -9.653 12.319 -14.164 1.00 19.55 ? 23 ASN B ND2 1 ATOM 2120 N N . LEU B 1 4 ? -10.721 16.815 -17.201 1.00 10.53 ? 24 LEU B N 1 ATOM 2121 C CA . LEU B 1 4 ? -11.757 17.809 -17.585 1.00 11.93 ? 24 LEU B CA 1 ATOM 2122 C C . LEU B 1 4 ? -11.747 18.010 -19.118 1.00 10.79 ? 24 LEU B C 1 ATOM 2123 O O . LEU B 1 4 ? -12.803 18.013 -19.768 1.00 11.71 ? 24 LEU B O 1 ATOM 2124 C CB . LEU B 1 4 ? -11.570 19.163 -16.849 1.00 14.55 ? 24 LEU B CB 1 ATOM 2125 C CG . LEU B 1 4 ? -12.625 20.173 -17.359 1.00 16.68 ? 24 LEU B CG 1 ATOM 2126 C CD1 . LEU B 1 4 ? -13.559 20.787 -16.332 1.00 17.27 ? 24 LEU B CD1 1 ATOM 2127 C CD2 . LEU B 1 4 ? -11.884 21.225 -18.197 1.00 17.79 ? 24 LEU B CD2 1 ATOM 2128 N N . GLY B 1 5 ? -10.570 18.077 -19.709 1.00 9.90 ? 25 GLY B N 1 ATOM 2129 C CA . GLY B 1 5 ? -10.443 18.233 -21.158 1.00 8.55 ? 25 GLY B CA 1 ATOM 2130 C C . GLY B 1 5 ? -11.161 17.098 -21.904 1.00 8.44 ? 25 GLY B C 1 ATOM 2131 O O . GLY B 1 5 ? -12.006 17.336 -22.779 1.00 8.97 ? 25 GLY B O 1 ATOM 2132 N N . HIS B 1 6 ? -10.877 15.886 -21.505 1.00 8.05 ? 26 HIS B N 1 ATOM 2133 C CA . HIS B 1 6 ? -11.453 14.689 -22.142 1.00 8.16 ? 26 HIS B CA 1 ATOM 2134 C C . HIS B 1 6 ? -12.974 14.568 -21.968 1.00 9.04 ? 26 HIS B C 1 ATOM 2135 O O . HIS B 1 6 ? -13.643 14.185 -22.901 1.00 9.04 ? 26 HIS B O 1 ATOM 2136 C CB . HIS B 1 6 ? -10.762 13.396 -21.651 1.00 8.00 ? 26 HIS B CB 1 ATOM 2137 C CG . HIS B 1 6 ? -9.408 13.264 -22.250 1.00 7.60 ? 26 HIS B CG 1 ATOM 2138 N ND1 . HIS B 1 6 ? -9.232 12.985 -23.584 1.00 7.72 ? 26 HIS B ND1 1 ATOM 2139 C CD2 . HIS B 1 6 ? -8.169 13.406 -21.732 1.00 8.00 ? 26 HIS B CD2 1 ATOM 2140 C CE1 . HIS B 1 6 ? -7.949 12.987 -23.862 1.00 7.58 ? 26 HIS B CE1 1 ATOM 2141 N NE2 . HIS B 1 6 ? -7.287 13.269 -22.776 1.00 7.23 ? 26 HIS B NE2 1 ATOM 2142 N N . GLU B 1 7 ? -13.452 14.909 -20.759 1.00 9.55 ? 27 GLU B N 1 ATOM 2143 C CA . GLU B 1 7 ? -14.868 14.844 -20.489 1.00 9.86 ? 27 GLU B CA 1 ATOM 2144 C C . GLU B 1 7 ? -15.585 15.933 -21.247 1.00 10.73 ? 27 GLU B C 1 ATOM 2145 O O . GLU B 1 7 ? -16.713 15.694 -21.775 1.00 10.70 ? 27 GLU B O 1 ATOM 2146 C CB . GLU B 1 7 ? -15.107 14.965 -18.993 1.00 10.94 ? 27 GLU B CB 1 ATOM 2147 C CG . GLU B 1 7 ? -14.589 13.800 -18.202 1.00 11.61 ? 27 GLU B CG 1 ATOM 2148 C CD . GLU B 1 7 ? -14.327 14.113 -16.727 1.00 13.59 ? 27 GLU B CD 1 ATOM 2149 O OE1 . GLU B 1 7 ? -14.425 15.274 -16.228 1.00 13.28 ? 27 GLU B OE1 1 ATOM 2150 O OE2 . GLU B 1 7 ? -13.997 13.131 -16.056 1.00 15.65 ? 27 GLU B OE2 1 ATOM 2151 N N . THR B 1 8 ? -15.005 17.128 -21.300 1.00 9.59 ? 28 THR B N 1 ATOM 2152 C CA . THR B 1 8 ? -15.581 18.241 -22.095 1.00 10.52 ? 28 THR B CA 1 ATOM 2153 C C . THR B 1 8 ? -15.729 17.852 -23.605 1.00 10.43 ? 28 THR B C 1 ATOM 2154 O O . THR B 1 8 ? -16.792 18.015 -24.216 1.00 9.97 ? 28 THR B O 1 ATOM 2155 C CB . THR B 1 8 ? -14.767 19.528 -21.962 1.00 11.01 ? 28 THR B CB 1 ATOM 2156 O OG1 . THR B 1 8 ? -14.725 19.897 -20.572 1.00 12.58 ? 28 THR B OG1 1 ATOM 2157 C CG2 . THR B 1 8 ? -15.444 20.697 -22.711 1.00 11.12 ? 28 THR B CG2 1 ATOM 2158 N N . VAL B 1 9 ? -14.679 17.300 -24.162 1.00 9.53 ? 29 VAL B N 1 ATOM 2159 C CA . VAL B 1 9 ? -14.665 16.879 -25.570 1.00 9.99 ? 29 VAL B CA 1 ATOM 2160 C C . VAL B 1 9 ? -15.816 15.865 -25.747 1.00 10.22 ? 29 VAL B C 1 ATOM 2161 O O . VAL B 1 9 ? -16.612 15.988 -26.709 1.00 11.05 ? 29 VAL B O 1 ATOM 2162 C CB . VAL B 1 9 ? -13.316 16.260 -25.952 1.00 9.71 ? 29 VAL B CB 1 ATOM 2163 C CG1 . VAL B 1 9 ? -13.438 15.413 -27.222 1.00 9.94 ? 29 VAL B CG1 1 ATOM 2164 C CG2 . VAL B 1 9 ? -12.266 17.356 -26.066 1.00 10.55 ? 29 VAL B CG2 1 ATOM 2165 N N . ALA B 1 10 ? -15.940 14.909 -24.816 1.00 10.27 ? 30 ALA B N 1 ATOM 2166 C CA . ALA B 1 10 ? -16.984 13.854 -24.891 1.00 9.66 ? 30 ALA B CA 1 ATOM 2167 C C . ALA B 1 10 ? -18.412 14.442 -24.806 1.00 9.77 ? 30 ALA B C 1 ATOM 2168 O O . ALA B 1 10 ? -19.268 14.071 -25.584 1.00 8.68 ? 30 ALA B O 1 ATOM 2169 C CB . ALA B 1 10 ? -16.778 12.801 -23.832 1.00 10.06 ? 30 ALA B CB 1 ATOM 2170 N N . TYR B 1 11 ? -18.629 15.346 -23.843 1.00 9.74 ? 31 TYR B N 1 ATOM 2171 C CA . TYR B 1 11 ? -19.948 15.998 -23.735 1.00 10.14 ? 31 TYR B CA 1 ATOM 2172 C C . TYR B 1 11 ? -20.269 16.800 -24.996 1.00 10.51 ? 31 TYR B C 1 ATOM 2173 O O . TYR B 1 11 ? -21.416 16.786 -25.430 1.00 11.19 ? 31 TYR B O 1 ATOM 2174 C CB . TYR B 1 11 ? -20.029 16.885 -22.547 1.00 10.61 ? 31 TYR B CB 1 ATOM 2175 C CG . TYR B 1 11 ? -20.290 16.202 -21.251 1.00 11.44 ? 31 TYR B CG 1 ATOM 2176 C CD1 . TYR B 1 11 ? -21.433 15.412 -21.088 1.00 11.12 ? 31 TYR B CD1 1 ATOM 2177 C CD2 . TYR B 1 11 ? -19.473 16.409 -20.133 1.00 11.60 ? 31 TYR B CD2 1 ATOM 2178 C CE1 . TYR B 1 11 ? -21.732 14.857 -19.841 1.00 11.38 ? 31 TYR B CE1 1 ATOM 2179 C CE2 . TYR B 1 11 ? -19.783 15.814 -18.891 1.00 11.80 ? 31 TYR B CE2 1 ATOM 2180 C CZ . TYR B 1 11 ? -20.905 15.031 -18.777 1.00 11.59 ? 31 TYR B CZ 1 ATOM 2181 O OH . TYR B 1 11 ? -21.197 14.453 -17.533 1.00 13.94 ? 31 TYR B OH 1 ATOM 2182 N N . ILE B 1 12 ? -19.306 17.504 -25.539 1.00 9.42 ? 32 ILE B N 1 ATOM 2183 C CA . ILE B 1 12 ? -19.534 18.220 -26.813 1.00 10.32 ? 32 ILE B CA 1 ATOM 2184 C C . ILE B 1 12 ? -19.919 17.184 -27.909 1.00 10.61 ? 32 ILE B C 1 ATOM 2185 O O . ILE B 1 12 ? -20.915 17.375 -28.620 1.00 10.78 ? 32 ILE B O 1 ATOM 2186 C CB . ILE B 1 12 ? -18.343 19.044 -27.239 1.00 10.21 ? 32 ILE B CB 1 ATOM 2187 C CG1 . ILE B 1 12 ? -18.076 20.158 -26.255 1.00 9.68 ? 32 ILE B CG1 1 ATOM 2188 C CG2 . ILE B 1 12 ? -18.542 19.565 -28.690 1.00 10.43 ? 32 ILE B CG2 1 ATOM 2189 C CD1 . ILE B 1 12 ? -16.736 20.859 -26.449 1.00 9.88 ? 32 ILE B CD1 1 ATOM 2190 N N . ALA B 1 13 ? -19.189 16.073 -28.018 1.00 9.78 ? 33 ALA B N 1 ATOM 2191 C CA . ALA B 1 13 ? -19.593 15.068 -29.023 1.00 11.03 ? 33 ALA B CA 1 ATOM 2192 C C . ALA B 1 13 ? -21.026 14.600 -28.807 1.00 10.80 ? 33 ALA B C 1 ATOM 2193 O O . ALA B 1 13 ? -21.786 14.426 -29.765 1.00 12.10 ? 33 ALA B O 1 ATOM 2194 C CB . ALA B 1 13 ? -18.632 13.871 -29.105 1.00 10.40 ? 33 ALA B CB 1 ATOM 2195 N N . GLN B 1 14 ? -21.399 14.321 -27.557 1.00 11.63 ? 34 GLN B N 1 ATOM 2196 C CA . GLN B 1 14 ? -22.769 13.882 -27.244 1.00 11.83 ? 34 GLN B CA 1 ATOM 2197 C C . GLN B 1 14 ? -23.805 14.884 -27.748 1.00 12.31 ? 34 GLN B C 1 ATOM 2198 O O . GLN B 1 14 ? -24.901 14.478 -28.162 1.00 12.94 ? 34 GLN B O 1 ATOM 2199 C CB . GLN B 1 14 ? -22.975 13.651 -25.735 1.00 11.80 ? 34 GLN B CB 1 ATOM 2200 C CG . GLN B 1 14 ? -22.203 12.509 -25.139 1.00 11.63 ? 34 GLN B CG 1 ATOM 2201 C CD . GLN B 1 14 ? -22.417 12.358 -23.609 1.00 12.99 ? 34 GLN B CD 1 ATOM 2202 O OE1 . GLN B 1 14 ? -21.604 11.735 -22.919 1.00 13.18 ? 34 GLN B OE1 1 ATOM 2203 N NE2 . GLN B 1 14 ? -23.502 12.958 -23.068 1.00 14.19 ? 34 GLN B NE2 1 ATOM 2204 N N . SER B 1 15 ? -23.471 16.159 -27.767 1.00 12.43 ? 35 SER B N 1 ATOM 2205 C CA . SER B 1 15 ? -24.402 17.197 -28.230 1.00 13.63 ? 35 SER B CA 1 ATOM 2206 C C . SER B 1 15 ? -24.534 17.283 -29.748 1.00 13.47 ? 35 SER B C 1 ATOM 2207 O O . SER B 1 15 ? -25.472 17.903 -30.259 1.00 14.66 ? 35 SER B O 1 ATOM 2208 C CB . SER B 1 15 ? -23.998 18.559 -27.711 1.00 14.65 ? 35 SER B CB 1 ATOM 2209 O OG . SER B 1 15 ? -23.919 18.548 -26.306 1.00 17.75 ? 35 SER B OG 1 ATOM 2210 N N . PHE B 1 16 ? -23.640 16.644 -30.480 1.00 12.14 ? 36 PHE B N 1 ATOM 2211 C CA . PHE B 1 16 ? -23.668 16.676 -31.955 1.00 12.26 ? 36 PHE B CA 1 ATOM 2212 C C . PHE B 1 16 ? -23.908 15.390 -32.686 1.00 11.99 ? 36 PHE B C 1 ATOM 2213 O O . PHE B 1 16 ? -24.235 15.404 -33.875 1.00 13.40 ? 36 PHE B O 1 ATOM 2214 C CB . PHE B 1 16 ? -22.428 17.377 -32.473 1.00 11.45 ? 36 PHE B CB 1 ATOM 2215 C CG . PHE B 1 16 ? -22.420 18.848 -32.159 1.00 12.16 ? 36 PHE B CG 1 ATOM 2216 C CD1 . PHE B 1 16 ? -23.148 19.744 -32.950 1.00 12.51 ? 36 PHE B CD1 1 ATOM 2217 C CD2 . PHE B 1 16 ? -21.666 19.342 -31.126 1.00 12.25 ? 36 PHE B CD2 1 ATOM 2218 C CE1 . PHE B 1 16 ? -23.151 21.109 -32.672 1.00 12.91 ? 36 PHE B CE1 1 ATOM 2219 C CE2 . PHE B 1 16 ? -21.655 20.690 -30.838 1.00 13.50 ? 36 PHE B CE2 1 ATOM 2220 C CZ . PHE B 1 16 ? -22.430 21.588 -31.592 1.00 13.30 ? 36 PHE B CZ 1 ATOM 2221 N N . VAL B 1 17 ? -23.809 14.260 -32.032 1.00 11.84 ? 37 VAL B N 1 ATOM 2222 C CA . VAL B 1 17 ? -24.060 12.966 -32.698 1.00 11.49 ? 37 VAL B CA 1 ATOM 2223 C C . VAL B 1 17 ? -25.559 12.815 -33.060 1.00 12.23 ? 37 VAL B C 1 ATOM 2224 O O . VAL B 1 17 ? -26.404 13.366 -32.357 1.00 12.33 ? 37 VAL B O 1 ATOM 2225 C CB . VAL B 1 17 ? -23.635 11.746 -31.871 1.00 11.97 ? 37 VAL B CB 1 ATOM 2226 C CG1 . VAL B 1 17 ? -22.099 11.670 -31.809 1.00 12.39 ? 37 VAL B CG1 1 ATOM 2227 C CG2 . VAL B 1 17 ? -24.240 11.696 -30.477 1.00 11.46 ? 37 VAL B CG2 1 ATOM 2228 N N . ALA B 1 18 ? -25.814 12.077 -34.126 1.00 11.66 ? 38 ALA B N 1 ATOM 2229 C CA . ALA B 1 18 ? -27.165 11.659 -34.512 1.00 12.78 ? 38 ALA B CA 1 ATOM 2230 C C . ALA B 1 18 ? -27.757 10.746 -33.460 1.00 14.47 ? 38 ALA B C 1 ATOM 2231 O O . ALA B 1 18 ? -27.028 10.023 -32.747 1.00 14.59 ? 38 ALA B O 1 ATOM 2232 C CB . ALA B 1 18 ? -27.142 10.931 -35.838 1.00 14.01 ? 38 ALA B CB 1 ATOM 2233 N N . SER B 1 19 ? -29.079 10.734 -33.363 1.00 12.88 ? 39 SER B N 1 ATOM 2234 C CA . SER B 1 19 ? -29.751 9.811 -32.425 1.00 14.17 ? 39 SER B CA 1 ATOM 2235 C C . SER B 1 19 ? -29.377 8.381 -32.608 1.00 13.53 ? 39 SER B C 1 ATOM 2236 O O . SER B 1 19 ? -29.247 7.646 -31.613 1.00 16.60 ? 39 SER B O 1 ATOM 2237 C CB A SER B 1 19 ? -31.291 10.019 -32.416 0.50 13.95 ? 39 SER B CB 1 ATOM 2238 C CB B SER B 1 19 ? -31.273 9.896 -32.656 0.50 15.47 ? 39 SER B CB 1 ATOM 2239 O OG A SER B 1 19 ? -31.793 10.125 -33.706 0.50 12.32 ? 39 SER B OG 1 ATOM 2240 O OG B SER B 1 19 ? -31.793 10.929 -31.860 0.50 16.74 ? 39 SER B OG 1 ATOM 2241 N N . SER B 1 20 ? -29.166 7.958 -33.845 1.00 14.46 ? 40 SER B N 1 ATOM 2242 C CA . SER B 1 20 ? -28.829 6.562 -34.101 1.00 16.01 ? 40 SER B CA 1 ATOM 2243 C C . SER B 1 20 ? -27.382 6.258 -33.701 1.00 15.33 ? 40 SER B C 1 ATOM 2244 O O . SER B 1 20 ? -27.049 5.140 -33.317 1.00 16.25 ? 40 SER B O 1 ATOM 2245 C CB . SER B 1 20 ? -29.079 6.207 -35.572 1.00 19.92 ? 40 SER B CB 1 ATOM 2246 O OG . SER B 1 20 ? -28.518 7.164 -36.423 1.00 23.42 ? 40 SER B OG 1 ATOM 2247 N N . THR B 1 21 ? -26.537 7.275 -33.774 1.00 14.89 ? 41 THR B N 1 ATOM 2248 C CA . THR B 1 21 ? -25.156 7.169 -33.272 1.00 14.75 ? 41 THR B CA 1 ATOM 2249 C C . THR B 1 21 ? -25.168 7.050 -31.733 1.00 15.22 ? 41 THR B C 1 ATOM 2250 O O . THR B 1 21 ? -24.446 6.245 -31.151 1.00 15.83 ? 41 THR B O 1 ATOM 2251 C CB . THR B 1 21 ? -24.338 8.361 -33.772 1.00 13.86 ? 41 THR B CB 1 ATOM 2252 O OG1 . THR B 1 21 ? -24.416 8.402 -35.214 1.00 11.87 ? 41 THR B OG1 1 ATOM 2253 C CG2 . THR B 1 21 ? -22.878 8.228 -33.336 1.00 12.84 ? 41 THR B CG2 1 ATOM 2254 N N . GLU B 1 22 ? -25.967 7.873 -31.091 1.00 16.53 ? 42 GLU B N 1 ATOM 2255 C CA . GLU B 1 22 ? -26.167 7.790 -29.651 1.00 18.36 ? 42 GLU B CA 1 ATOM 2256 C C . GLU B 1 22 ? -26.562 6.372 -29.256 1.00 20.03 ? 42 GLU B C 1 ATOM 2257 O O . GLU B 1 22 ? -25.917 5.766 -28.373 1.00 20.10 ? 42 GLU B O 1 ATOM 2258 C CB . GLU B 1 22 ? -27.196 8.827 -29.172 1.00 20.44 ? 42 GLU B CB 1 ATOM 2259 C CG . GLU B 1 22 ? -27.542 8.706 -27.708 1.00 22.82 ? 42 GLU B CG 1 ATOM 2260 C CD . GLU B 1 22 ? -28.568 9.784 -27.239 1.00 32.02 ? 42 GLU B CD 1 ATOM 2261 O OE1 . GLU B 1 22 ? -28.643 10.904 -27.824 1.00 33.02 ? 42 GLU B OE1 1 ATOM 2262 O OE2 . GLU B 1 22 ? -29.298 9.532 -26.239 1.00 34.31 ? 42 GLU B OE2 1 ATOM 2263 N N . SER B 1 23 ? -27.559 5.816 -29.922 1.00 17.94 ? 43 SER B N 1 ATOM 2264 C CA . SER B 1 23 ? -27.961 4.391 -29.654 1.00 21.60 ? 43 SER B CA 1 ATOM 2265 C C . SER B 1 23 ? -26.848 3.405 -29.806 1.00 19.55 ? 43 SER B C 1 ATOM 2266 O O . SER B 1 23 ? -26.639 2.603 -28.940 1.00 20.84 ? 43 SER B O 1 ATOM 2267 C CB . SER B 1 23 ? -29.038 3.915 -30.620 1.00 24.37 ? 43 SER B CB 1 ATOM 2268 O OG . SER B 1 23 ? -30.196 4.648 -30.362 1.00 30.30 ? 43 SER B OG 1 ATOM 2269 N N . PHE B 1 24 ? -26.175 3.462 -30.962 1.00 20.49 ? 44 PHE B N 1 ATOM 2270 C CA . PHE B 1 24 ? -25.022 2.609 -31.296 1.00 18.44 ? 44 PHE B CA 1 ATOM 2271 C C . PHE B 1 24 ? -23.994 2.629 -30.163 1.00 18.27 ? 44 PHE B C 1 ATOM 2272 O O . PHE B 1 24 ? -23.565 1.576 -29.662 1.00 18.50 ? 44 PHE B O 1 ATOM 2273 C CB . PHE B 1 24 ? -24.392 3.123 -32.603 1.00 19.19 ? 44 PHE B CB 1 ATOM 2274 C CG . PHE B 1 24 ? -23.159 2.375 -33.061 1.00 19.62 ? 44 PHE B CG 1 ATOM 2275 C CD1 . PHE B 1 24 ? -23.262 1.286 -33.904 1.00 21.18 ? 44 PHE B CD1 1 ATOM 2276 C CD2 . PHE B 1 24 ? -21.879 2.852 -32.768 1.00 22.05 ? 44 PHE B CD2 1 ATOM 2277 C CE1 . PHE B 1 24 ? -22.129 0.618 -34.404 1.00 21.23 ? 44 PHE B CE1 1 ATOM 2278 C CE2 . PHE B 1 24 ? -20.745 2.175 -33.248 1.00 20.51 ? 44 PHE B CE2 1 ATOM 2279 C CZ . PHE B 1 24 ? -20.869 1.047 -34.062 1.00 20.68 ? 44 PHE B CZ 1 ATOM 2280 N N . CYS B 1 25 ? -23.629 3.851 -29.750 1.00 16.34 ? 45 CYS B N 1 ATOM 2281 C CA . CYS B 1 25 ? -22.609 4.007 -28.708 1.00 16.47 ? 45 CYS B CA 1 ATOM 2282 C C . CYS B 1 25 ? -23.082 3.497 -27.336 1.00 16.30 ? 45 CYS B C 1 ATOM 2283 O O . CYS B 1 25 ? -22.344 2.783 -26.647 1.00 15.30 ? 45 CYS B O 1 ATOM 2284 C CB . CYS B 1 25 ? -22.201 5.478 -28.570 1.00 17.28 ? 45 CYS B CB 1 ATOM 2285 S SG . CYS B 1 25 ? -21.254 6.010 -30.004 1.00 16.99 ? 45 CYS B SG 1 ATOM 2286 N N . GLN B 1 26 ? -24.292 3.856 -26.955 1.00 15.19 ? 46 GLN B N 1 ATOM 2287 C CA . GLN B 1 26 ? -24.878 3.414 -25.658 1.00 16.02 ? 46 GLN B CA 1 ATOM 2288 C C . GLN B 1 26 ? -24.948 1.889 -25.549 1.00 17.03 ? 46 GLN B C 1 ATOM 2289 O O . GLN B 1 26 ? -24.727 1.313 -24.487 1.00 19.60 ? 46 GLN B O 1 ATOM 2290 C CB . GLN B 1 26 ? -26.265 4.013 -25.468 1.00 15.82 ? 46 GLN B CB 1 ATOM 2291 C CG . GLN B 1 26 ? -26.180 5.506 -25.153 1.00 15.23 ? 46 GLN B CG 1 ATOM 2292 C CD . GLN B 1 26 ? -27.511 6.165 -25.014 1.00 16.84 ? 46 GLN B CD 1 ATOM 2293 O OE1 . GLN B 1 26 ? -28.516 5.605 -25.420 1.00 17.81 ? 46 GLN B OE1 1 ATOM 2294 N NE2 . GLN B 1 26 ? -27.526 7.377 -24.524 1.00 17.05 ? 46 GLN B NE2 1 ATOM 2295 N N . ASN B 1 27 ? -25.284 1.264 -26.654 1.00 18.85 ? 47 ASN B N 1 ATOM 2296 C CA . ASN B 1 27 ? -25.375 -0.167 -26.752 1.00 20.81 ? 47 ASN B CA 1 ATOM 2297 C C . ASN B 1 27 ? -23.988 -0.789 -26.536 1.00 21.34 ? 47 ASN B C 1 ATOM 2298 O O . ASN B 1 27 ? -23.872 -1.726 -25.773 1.00 20.04 ? 47 ASN B O 1 ATOM 2299 C CB A ASN B 1 27 ? -25.905 -0.561 -28.126 0.70 24.16 ? 47 ASN B CB 1 ATOM 2300 C CB B ASN B 1 27 ? -25.983 -0.603 -28.104 0.30 20.55 ? 47 ASN B CB 1 ATOM 2301 C CG A ASN B 1 27 ? -26.218 -2.042 -28.243 0.70 28.31 ? 47 ASN B CG 1 ATOM 2302 C CG B ASN B 1 27 ? -27.487 -0.278 -28.258 0.30 20.52 ? 47 ASN B CG 1 ATOM 2303 O OD1 A ASN B 1 27 ? -25.787 -2.694 -29.199 0.70 31.62 ? 47 ASN B OD1 1 ATOM 2304 O OD1 B ASN B 1 27 ? -28.020 -0.343 -29.387 0.30 20.42 ? 47 ASN B OD1 1 ATOM 2305 N ND2 A ASN B 1 27 ? -26.957 -2.588 -27.281 0.70 29.52 ? 47 ASN B ND2 1 ATOM 2306 N ND2 B ASN B 1 27 ? -28.185 0.056 -27.163 0.30 20.25 ? 47 ASN B ND2 1 ATOM 2307 N N . ILE B 1 28 ? -22.952 -0.261 -27.216 1.00 19.21 ? 48 ILE B N 1 ATOM 2308 C CA . ILE B 1 28 ? -21.577 -0.757 -27.003 1.00 18.65 ? 48 ILE B CA 1 ATOM 2309 C C . ILE B 1 28 ? -21.106 -0.570 -25.550 1.00 17.16 ? 48 ILE B C 1 ATOM 2310 O O . ILE B 1 28 ? -20.598 -1.476 -24.912 1.00 17.54 ? 48 ILE B O 1 ATOM 2311 C CB . ILE B 1 28 ? -20.614 -0.172 -28.039 1.00 17.96 ? 48 ILE B CB 1 ATOM 2312 C CG1 . ILE B 1 28 ? -20.858 -0.847 -29.398 1.00 16.85 ? 48 ILE B CG1 1 ATOM 2313 C CG2 . ILE B 1 28 ? -19.173 -0.437 -27.658 1.00 17.25 ? 48 ILE B CG2 1 ATOM 2314 C CD1 . ILE B 1 28 ? -20.208 -0.165 -30.563 1.00 16.93 ? 48 ILE B CD1 1 ATOM 2315 N N . LEU B 1 29 ? -21.357 0.591 -25.009 1.00 16.93 ? 49 LEU B N 1 ATOM 2316 C CA . LEU B 1 29 ? -20.929 0.976 -23.692 1.00 16.92 ? 49 LEU B CA 1 ATOM 2317 C C . LEU B 1 29 ? -21.768 0.403 -22.535 1.00 19.81 ? 49 LEU B C 1 ATOM 2318 O O . LEU B 1 29 ? -21.303 0.423 -21.385 1.00 20.49 ? 49 LEU B O 1 ATOM 2319 C CB . LEU B 1 29 ? -20.890 2.502 -23.612 1.00 18.60 ? 49 LEU B CB 1 ATOM 2320 C CG . LEU B 1 29 ? -19.892 3.179 -24.545 1.00 17.79 ? 49 LEU B CG 1 ATOM 2321 C CD1 . LEU B 1 29 ? -20.082 4.681 -24.456 1.00 19.73 ? 49 LEU B CD1 1 ATOM 2322 C CD2 . LEU B 1 29 ? -18.447 2.800 -24.224 1.00 18.94 ? 49 LEU B CD2 1 ATOM 2323 N N . GLY B 1 30 ? -22.971 -0.108 -22.817 1.00 18.68 ? 50 GLY B N 1 ATOM 2324 C CA . GLY B 1 30 ? -23.901 -0.549 -21.751 1.00 20.88 ? 50 GLY B CA 1 ATOM 2325 C C . GLY B 1 30 ? -24.284 0.564 -20.786 1.00 21.30 ? 50 GLY B C 1 ATOM 2326 O O . GLY B 1 30 ? -24.364 0.360 -19.604 1.00 22.91 ? 50 GLY B O 1 ATOM 2327 N N . ASP B 1 31 ? -24.507 1.754 -21.311 1.00 18.77 ? 51 ASP B N 1 ATOM 2328 C CA . ASP B 1 31 ? -24.684 2.950 -20.514 1.00 18.25 ? 51 ASP B CA 1 ATOM 2329 C C . ASP B 1 31 ? -25.577 3.894 -21.333 1.00 18.13 ? 51 ASP B C 1 ATOM 2330 O O . ASP B 1 31 ? -25.142 4.363 -22.427 1.00 17.40 ? 51 ASP B O 1 ATOM 2331 C CB . ASP B 1 31 ? -23.305 3.567 -20.235 1.00 18.44 ? 51 ASP B CB 1 ATOM 2332 C CG . ASP B 1 31 ? -23.361 4.868 -19.426 1.00 18.75 ? 51 ASP B CG 1 ATOM 2333 O OD1 . ASP B 1 31 ? -24.427 5.396 -19.151 1.00 22.70 ? 51 ASP B OD1 1 ATOM 2334 O OD2 . ASP B 1 31 ? -22.288 5.364 -19.024 1.00 20.85 ? 51 ASP B OD2 1 ATOM 2335 N N . ASP B 1 32 ? -26.802 4.157 -20.840 1.00 17.99 ? 52 ASP B N 1 ATOM 2336 C CA . ASP B 1 32 ? -27.701 5.137 -21.465 1.00 18.77 ? 52 ASP B CA 1 ATOM 2337 C C . ASP B 1 32 ? -27.893 6.405 -20.646 1.00 17.53 ? 52 ASP B C 1 ATOM 2338 O O . ASP B 1 32 ? -28.885 7.147 -20.860 1.00 20.54 ? 52 ASP B O 1 ATOM 2339 C CB . ASP B 1 32 ? -29.075 4.508 -21.884 1.00 19.73 ? 52 ASP B CB 1 ATOM 2340 C CG . ASP B 1 32 ? -30.019 4.296 -20.701 1.00 22.00 ? 52 ASP B CG 1 ATOM 2341 O OD1 . ASP B 1 32 ? -29.553 4.297 -19.537 1.00 19.96 ? 52 ASP B OD1 1 ATOM 2342 O OD2 . ASP B 1 32 ? -31.274 4.188 -20.939 1.00 23.71 ? 52 ASP B OD2 1 ATOM 2343 N N . SER B 1 33 ? -26.967 6.689 -19.750 1.00 15.62 ? 53 SER B N 1 ATOM 2344 C CA . SER B 1 33 ? -27.003 7.924 -19.019 1.00 15.81 ? 53 SER B CA 1 ATOM 2345 C C . SER B 1 33 ? -26.753 9.099 -19.949 1.00 16.36 ? 53 SER B C 1 ATOM 2346 O O . SER B 1 33 ? -26.282 8.939 -21.068 1.00 15.92 ? 53 SER B O 1 ATOM 2347 C CB . SER B 1 33 ? -25.995 7.923 -17.856 1.00 17.76 ? 53 SER B CB 1 ATOM 2348 O OG . SER B 1 33 ? -24.646 7.921 -18.281 1.00 17.68 ? 53 SER B OG 1 ATOM 2349 N N . THR B 1 34 ? -26.985 10.279 -19.413 1.00 16.97 ? 54 THR B N 1 ATOM 2350 C CA . THR B 1 34 ? -26.687 11.527 -20.136 1.00 18.90 ? 54 THR B CA 1 ATOM 2351 C C . THR B 1 34 ? -25.157 11.847 -20.102 1.00 17.19 ? 54 THR B C 1 ATOM 2352 O O . THR B 1 34 ? -24.764 12.901 -20.578 1.00 17.30 ? 54 THR B O 1 ATOM 2353 C CB . THR B 1 34 ? -27.483 12.684 -19.520 1.00 20.33 ? 54 THR B CB 1 ATOM 2354 O OG1 . THR B 1 34 ? -27.101 12.832 -18.139 1.00 21.82 ? 54 THR B OG1 1 ATOM 2355 C CG2 . THR B 1 34 ? -28.997 12.364 -19.632 1.00 23.95 ? 54 THR B CG2 1 ATOM 2356 N N . SER B 1 35 ? -24.356 10.955 -19.492 1.00 15.59 ? 55 SER B N 1 ATOM 2357 C CA . SER B 1 35 ? -22.875 11.062 -19.489 1.00 15.32 ? 55 SER B CA 1 ATOM 2358 C C . SER B 1 35 ? -22.198 9.894 -20.178 1.00 13.55 ? 55 SER B C 1 ATOM 2359 O O . SER B 1 35 ? -21.009 9.596 -19.926 1.00 14.21 ? 55 SER B O 1 ATOM 2360 C CB . SER B 1 35 ? -22.390 11.175 -18.052 1.00 15.72 ? 55 SER B CB 1 ATOM 2361 O OG . SER B 1 35 ? -22.833 12.410 -17.505 1.00 19.54 ? 55 SER B OG 1 ATOM 2362 N N . TYR B 1 36 ? -22.917 9.185 -21.047 1.00 13.13 ? 56 TYR B N 1 ATOM 2363 C CA . TYR B 1 36 ? -22.427 7.929 -21.592 1.00 13.20 ? 56 TYR B CA 1 ATOM 2364 C C . TYR B 1 36 ? -21.030 7.988 -22.243 1.00 13.73 ? 56 TYR B C 1 ATOM 2365 O O . TYR B 1 36 ? -20.201 7.098 -21.969 1.00 14.46 ? 56 TYR B O 1 ATOM 2366 C CB . TYR B 1 36 ? -23.460 7.276 -22.558 1.00 13.83 ? 56 TYR B CB 1 ATOM 2367 C CG . TYR B 1 36 ? -23.658 8.002 -23.869 1.00 13.13 ? 56 TYR B CG 1 ATOM 2368 C CD1 . TYR B 1 36 ? -24.474 9.120 -23.956 1.00 13.72 ? 56 TYR B CD1 1 ATOM 2369 C CD2 . TYR B 1 36 ? -23.077 7.520 -25.035 1.00 14.16 ? 56 TYR B CD2 1 ATOM 2370 C CE1 . TYR B 1 36 ? -24.688 9.774 -25.113 1.00 12.43 ? 56 TYR B CE1 1 ATOM 2371 C CE2 . TYR B 1 36 ? -23.246 8.186 -26.233 1.00 13.62 ? 56 TYR B CE2 1 ATOM 2372 C CZ . TYR B 1 36 ? -24.050 9.320 -26.282 1.00 13.19 ? 56 TYR B CZ 1 ATOM 2373 O OH . TYR B 1 36 ? -24.198 9.980 -27.493 1.00 13.66 ? 56 TYR B OH 1 ATOM 2374 N N . LEU B 1 37 ? -20.717 9.012 -23.045 1.00 12.73 ? 57 LEU B N 1 ATOM 2375 C CA . LEU B 1 37 ? -19.346 9.142 -23.530 1.00 12.45 ? 57 LEU B CA 1 ATOM 2376 C C . LEU B 1 37 ? -18.401 9.712 -22.509 1.00 12.12 ? 57 LEU B C 1 ATOM 2377 O O . LEU B 1 37 ? -17.227 9.291 -22.400 1.00 11.74 ? 57 LEU B O 1 ATOM 2378 C CB . LEU B 1 37 ? -19.244 10.021 -24.808 1.00 12.91 ? 57 LEU B CB 1 ATOM 2379 C CG . LEU B 1 37 ? -20.013 9.546 -26.026 1.00 13.22 ? 57 LEU B CG 1 ATOM 2380 C CD1 . LEU B 1 37 ? -19.810 10.529 -27.156 1.00 12.58 ? 57 LEU B CD1 1 ATOM 2381 C CD2 . LEU B 1 37 ? -19.583 8.158 -26.417 1.00 13.84 ? 57 LEU B CD2 1 ATOM 2382 N N . ALA B 1 38 ? -18.846 10.760 -21.813 1.00 11.76 ? 58 ALA B N 1 ATOM 2383 C CA . ALA B 1 38 ? -18.000 11.391 -20.802 1.00 11.97 ? 58 ALA B CA 1 ATOM 2384 C C . ALA B 1 38 ? -17.462 10.362 -19.737 1.00 11.50 ? 58 ALA B C 1 ATOM 2385 O O . ALA B 1 38 ? -16.331 10.480 -19.235 1.00 10.69 ? 58 ALA B O 1 ATOM 2386 C CB . ALA B 1 38 ? -18.743 12.548 -20.152 1.00 11.30 ? 58 ALA B CB 1 ATOM 2387 N N . ASN B 1 39 ? -18.321 9.396 -19.391 1.00 12.35 ? 59 ASN B N 1 ATOM 2388 C CA . ASN B 1 39 ? -18.030 8.378 -18.375 1.00 13.34 ? 59 ASN B CA 1 ATOM 2389 C C . ASN B 1 39 ? -16.860 7.487 -18.740 1.00 14.05 ? 59 ASN B C 1 ATOM 2390 O O . ASN B 1 39 ? -16.215 6.972 -17.835 1.00 14.67 ? 59 ASN B O 1 ATOM 2391 C CB . ASN B 1 39 ? -19.229 7.495 -18.081 1.00 13.97 ? 59 ASN B CB 1 ATOM 2392 C CG . ASN B 1 39 ? -20.306 8.193 -17.215 1.00 15.80 ? 59 ASN B CG 1 ATOM 2393 O OD1 . ASN B 1 39 ? -20.077 9.212 -16.558 1.00 16.24 ? 59 ASN B OD1 1 ATOM 2394 N ND2 . ASN B 1 39 ? -21.517 7.669 -17.295 1.00 16.65 ? 59 ASN B ND2 1 ATOM 2395 N N . VAL B 1 40 ? -16.568 7.370 -20.022 1.00 12.65 ? 60 VAL B N 1 ATOM 2396 C CA . VAL B 1 40 ? -15.464 6.574 -20.528 1.00 12.69 ? 60 VAL B CA 1 ATOM 2397 C C . VAL B 1 40 ? -14.286 7.366 -21.090 1.00 11.82 ? 60 VAL B C 1 ATOM 2398 O O . VAL B 1 40 ? -13.314 6.762 -21.547 1.00 13.70 ? 60 VAL B O 1 ATOM 2399 C CB . VAL B 1 40 ? -15.927 5.498 -21.535 1.00 14.04 ? 60 VAL B CB 1 ATOM 2400 C CG1 . VAL B 1 40 ? -16.906 4.577 -20.879 1.00 15.99 ? 60 VAL B CG1 1 ATOM 2401 C CG2 . VAL B 1 40 ? -16.523 6.119 -22.809 1.00 13.91 ? 60 VAL B CG2 1 ATOM 2402 N N . ALA B 1 41 ? -14.338 8.704 -21.029 1.00 10.57 ? 61 ALA B N 1 ATOM 2403 C CA . ALA B 1 41 ? -13.393 9.519 -21.759 1.00 10.32 ? 61 ALA B CA 1 ATOM 2404 C C . ALA B 1 41 ? -12.003 9.522 -21.171 1.00 10.61 ? 61 ALA B C 1 ATOM 2405 O O . ALA B 1 41 ? -11.056 9.959 -21.871 1.00 11.41 ? 61 ALA B O 1 ATOM 2406 C CB . ALA B 1 41 ? -13.889 10.924 -21.882 1.00 11.17 ? 61 ALA B CB 1 ATOM 2407 N N . THR B 1 42 ? -11.907 9.154 -19.885 1.00 10.59 ? 62 THR B N 1 ATOM 2408 C CA . THR B 1 42 ? -10.606 9.128 -19.190 1.00 11.24 ? 62 THR B CA 1 ATOM 2409 C C . THR B 1 42 ? -10.011 7.719 -19.012 1.00 11.40 ? 62 THR B C 1 ATOM 2410 O O . THR B 1 42 ? -8.844 7.608 -18.592 1.00 11.93 ? 62 THR B O 1 ATOM 2411 C CB . THR B 1 42 ? -10.726 9.744 -17.807 1.00 11.23 ? 62 THR B CB 1 ATOM 2412 O OG1 . THR B 1 42 ? -11.524 8.898 -16.994 1.00 10.73 ? 62 THR B OG1 1 ATOM 2413 C CG2 . THR B 1 42 ? -11.366 11.090 -17.899 1.00 12.16 ? 62 THR B CG2 1 ATOM 2414 N N . TRP B 1 43 ? -10.771 6.686 -19.392 1.00 10.94 ? 63 TRP B N 1 ATOM 2415 C CA . TRP B 1 43 ? -10.349 5.321 -19.188 1.00 10.75 ? 63 TRP B CA 1 ATOM 2416 C C . TRP B 1 43 ? -8.937 4.999 -19.753 1.00 11.38 ? 63 TRP B C 1 ATOM 2417 O O . TRP B 1 43 ? -8.153 4.404 -19.070 1.00 11.26 ? 63 TRP B O 1 ATOM 2418 C CB . TRP B 1 43 ? -11.367 4.363 -19.756 1.00 11.77 ? 63 TRP B CB 1 ATOM 2419 C CG . TRP B 1 43 ? -10.883 2.972 -19.753 1.00 11.98 ? 63 TRP B CG 1 ATOM 2420 C CD1 . TRP B 1 43 ? -10.851 2.142 -18.705 1.00 13.41 ? 63 TRP B CD1 1 ATOM 2421 C CD2 . TRP B 1 43 ? -10.231 2.287 -20.840 1.00 12.16 ? 63 TRP B CD2 1 ATOM 2422 N NE1 . TRP B 1 43 ? -10.295 0.928 -19.085 1.00 15.11 ? 63 TRP B NE1 1 ATOM 2423 C CE2 . TRP B 1 43 ? -9.878 1.004 -20.380 1.00 12.71 ? 63 TRP B CE2 1 ATOM 2424 C CE3 . TRP B 1 43 ? -9.943 2.626 -22.156 1.00 12.39 ? 63 TRP B CE3 1 ATOM 2425 C CZ2 . TRP B 1 43 ? -9.228 0.034 -21.200 1.00 12.22 ? 63 TRP B CZ2 1 ATOM 2426 C CZ3 . TRP B 1 43 ? -9.301 1.668 -22.982 1.00 12.60 ? 63 TRP B CZ3 1 ATOM 2427 C CH2 . TRP B 1 43 ? -8.984 0.374 -22.487 1.00 11.62 ? 63 TRP B CH2 1 ATOM 2428 N N . ALA B 1 44 ? -8.640 5.418 -20.998 1.00 11.01 ? 64 ALA B N 1 ATOM 2429 C CA . ALA B 1 44 ? -7.394 5.120 -21.630 1.00 11.19 ? 64 ALA B CA 1 ATOM 2430 C C . ALA B 1 44 ? -6.202 5.650 -20.792 1.00 11.18 ? 64 ALA B C 1 ATOM 2431 O O . ALA B 1 44 ? -5.132 5.061 -20.826 1.00 11.33 ? 64 ALA B O 1 ATOM 2432 C CB . ALA B 1 44 ? -7.342 5.660 -23.075 1.00 11.42 ? 64 ALA B CB 1 ATOM 2433 N N . ASP B 1 45 ? -6.396 6.764 -20.096 1.00 11.53 ? 65 ASP B N 1 ATOM 2434 C CA . ASP B 1 45 ? -5.382 7.314 -19.220 1.00 12.85 ? 65 ASP B CA 1 ATOM 2435 C C . ASP B 1 45 ? -5.134 6.455 -17.998 1.00 13.89 ? 65 ASP B C 1 ATOM 2436 O O . ASP B 1 45 ? -4.005 6.401 -17.565 1.00 20.35 ? 65 ASP B O 1 ATOM 2437 C CB . ASP B 1 45 ? -5.642 8.747 -18.807 1.00 12.52 ? 65 ASP B CB 1 ATOM 2438 C CG . ASP B 1 45 ? -5.112 9.794 -19.847 1.00 14.35 ? 65 ASP B CG 1 ATOM 2439 O OD1 . ASP B 1 45 ? -4.412 9.426 -20.828 1.00 13.17 ? 65 ASP B OD1 1 ATOM 2440 O OD2 . ASP B 1 45 ? -5.454 11.032 -19.714 1.00 14.77 ? 65 ASP B OD2 1 ATOM 2441 N N . THR B 1 46 ? -6.129 5.807 -17.427 1.00 13.54 ? 66 THR B N 1 ATOM 2442 C CA . THR B 1 46 ? -5.907 4.816 -16.364 1.00 13.40 ? 66 THR B CA 1 ATOM 2443 C C . THR B 1 46 ? -5.176 3.595 -16.907 1.00 13.26 ? 66 THR B C 1 ATOM 2444 O O . THR B 1 46 ? -4.120 3.161 -16.361 1.00 12.75 ? 66 THR B O 1 ATOM 2445 C CB . THR B 1 46 ? -7.199 4.314 -15.766 1.00 15.90 ? 66 THR B CB 1 ATOM 2446 O OG1 . THR B 1 46 ? -7.775 5.373 -15.034 1.00 16.77 ? 66 THR B OG1 1 ATOM 2447 C CG2 . THR B 1 46 ? -6.979 3.097 -14.858 1.00 16.15 ? 66 THR B CG2 1 ATOM 2448 N N . TYR B 1 47 ? -5.680 3.101 -18.036 1.00 12.61 ? 67 TYR B N 1 ATOM 2449 C CA . TYR B 1 47 ? -5.152 1.881 -18.620 1.00 13.11 ? 67 TYR B CA 1 ATOM 2450 C C . TYR B 1 47 ? -3.644 1.921 -18.918 1.00 11.75 ? 67 TYR B C 1 ATOM 2451 O O . TYR B 1 47 ? -2.962 0.922 -18.692 1.00 10.82 ? 67 TYR B O 1 ATOM 2452 C CB . TYR B 1 47 ? -5.907 1.572 -19.855 1.00 13.87 ? 67 TYR B CB 1 ATOM 2453 C CG . TYR B 1 47 ? -5.698 0.215 -20.489 1.00 14.48 ? 67 TYR B CG 1 ATOM 2454 C CD1 . TYR B 1 47 ? -5.902 -0.964 -19.758 1.00 14.58 ? 67 TYR B CD1 1 ATOM 2455 C CD2 . TYR B 1 47 ? -5.410 0.122 -21.870 1.00 14.95 ? 67 TYR B CD2 1 ATOM 2456 C CE1 . TYR B 1 47 ? -5.757 -2.228 -20.367 1.00 15.79 ? 67 TYR B CE1 1 ATOM 2457 C CE2 . TYR B 1 47 ? -5.281 -1.109 -22.466 1.00 15.60 ? 67 TYR B CE2 1 ATOM 2458 C CZ . TYR B 1 47 ? -5.456 -2.279 -21.721 1.00 15.99 ? 67 TYR B CZ 1 ATOM 2459 O OH . TYR B 1 47 ? -5.357 -3.497 -22.364 1.00 17.96 ? 67 TYR B OH 1 ATOM 2460 N N . LYS B 1 48 ? -3.156 3.046 -19.424 1.00 11.47 ? 68 LYS B N 1 ATOM 2461 C CA . LYS B 1 48 ? -1.744 3.144 -19.825 1.00 11.68 ? 68 LYS B CA 1 ATOM 2462 C C . LYS B 1 48 ? -0.762 3.075 -18.647 1.00 11.62 ? 68 LYS B C 1 ATOM 2463 O O . LYS B 1 48 ? 0.426 2.891 -18.886 1.00 12.05 ? 68 LYS B O 1 ATOM 2464 C CB . LYS B 1 48 ? -1.480 4.410 -20.667 1.00 11.05 ? 68 LYS B CB 1 ATOM 2465 C CG . LYS B 1 48 ? -1.406 5.655 -19.861 1.00 11.79 ? 68 LYS B CG 1 ATOM 2466 C CD . LYS B 1 48 ? -1.359 6.894 -20.722 1.00 12.47 ? 68 LYS B CD 1 ATOM 2467 C CE . LYS B 1 48 ? -1.117 8.147 -19.938 1.00 13.41 ? 68 LYS B CE 1 ATOM 2468 N NZ . LYS B 1 48 ? -1.132 9.291 -20.881 1.00 14.04 ? 68 LYS B NZ 1 ATOM 2469 N N . TYR B 1 49 ? -1.240 3.252 -17.395 1.00 11.87 ? 69 TYR B N 1 ATOM 2470 C CA . TYR B 1 49 ? -0.397 3.111 -16.208 1.00 13.01 ? 69 TYR B CA 1 ATOM 2471 C C . TYR B 1 49 ? -0.497 1.754 -15.554 1.00 13.81 ? 69 TYR B C 1 ATOM 2472 O O . TYR B 1 49 ? 0.087 1.530 -14.465 1.00 15.01 ? 69 TYR B O 1 ATOM 2473 C CB . TYR B 1 49 ? -0.737 4.206 -15.151 1.00 14.03 ? 69 TYR B CB 1 ATOM 2474 C CG . TYR B 1 49 ? -0.473 5.592 -15.676 1.00 13.77 ? 69 TYR B CG 1 ATOM 2475 C CD1 . TYR B 1 49 ? 0.804 6.011 -15.918 1.00 14.84 ? 69 TYR B CD1 1 ATOM 2476 C CD2 . TYR B 1 49 ? -1.519 6.490 -15.912 1.00 15.69 ? 69 TYR B CD2 1 ATOM 2477 C CE1 . TYR B 1 49 ? 1.067 7.237 -16.404 1.00 15.64 ? 69 TYR B CE1 1 ATOM 2478 C CE2 . TYR B 1 49 ? -1.279 7.768 -16.366 1.00 16.24 ? 69 TYR B CE2 1 ATOM 2479 C CZ . TYR B 1 49 ? 0.022 8.148 -16.641 1.00 16.54 ? 69 TYR B CZ 1 ATOM 2480 O OH . TYR B 1 49 ? 0.373 9.402 -17.170 1.00 17.13 ? 69 TYR B OH 1 ATOM 2481 N N . THR B 1 50 ? -1.204 0.836 -16.188 1.00 12.12 ? 70 THR B N 1 ATOM 2482 C CA . THR B 1 50 ? -1.263 -0.537 -15.708 1.00 12.68 ? 70 THR B CA 1 ATOM 2483 C C . THR B 1 50 ? -0.258 -1.400 -16.484 1.00 13.56 ? 70 THR B C 1 ATOM 2484 O O . THR B 1 50 ? 0.117 -1.057 -17.612 1.00 12.77 ? 70 THR B O 1 ATOM 2485 C CB . THR B 1 50 ? -2.673 -1.123 -15.832 1.00 12.34 ? 70 THR B CB 1 ATOM 2486 O OG1 . THR B 1 50 ? -3.018 -1.318 -17.210 1.00 11.08 ? 70 THR B OG1 1 ATOM 2487 C CG2 . THR B 1 50 ? -3.648 -0.212 -15.188 1.00 12.92 ? 70 THR B CG2 1 ATOM 2488 N N . ASP B 1 51 ? 0.157 -2.504 -15.893 1.00 12.71 ? 71 ASP B N 1 ATOM 2489 C CA . ASP B 1 51 ? 1.011 -3.417 -16.644 1.00 15.14 ? 71 ASP B CA 1 ATOM 2490 C C . ASP B 1 51 ? 0.332 -3.932 -17.938 1.00 14.48 ? 71 ASP B C 1 ATOM 2491 O O . ASP B 1 51 ? 0.980 -4.050 -18.964 1.00 14.03 ? 71 ASP B O 1 ATOM 2492 C CB . ASP B 1 51 ? 1.371 -4.671 -15.828 1.00 16.75 ? 71 ASP B CB 1 ATOM 2493 C CG . ASP B 1 51 ? 2.269 -4.401 -14.647 1.00 19.23 ? 71 ASP B CG 1 ATOM 2494 O OD1 . ASP B 1 51 ? 2.821 -3.313 -14.386 1.00 18.09 ? 71 ASP B OD1 1 ATOM 2495 O OD2 . ASP B 1 51 ? 2.470 -5.415 -13.998 1.00 23.47 ? 71 ASP B OD2 1 ATOM 2496 N N . ALA B 1 52 ? -0.956 -4.242 -17.874 1.00 13.86 ? 72 ALA B N 1 ATOM 2497 C CA . ALA B 1 52 ? -1.662 -4.800 -19.009 1.00 14.24 ? 72 ALA B CA 1 ATOM 2498 C C . ALA B 1 52 ? -1.747 -3.749 -20.148 1.00 14.80 ? 72 ALA B C 1 ATOM 2499 O O . ALA B 1 52 ? -1.757 -4.105 -21.317 1.00 14.16 ? 72 ALA B O 1 ATOM 2500 C CB . ALA B 1 52 ? -3.042 -5.246 -18.596 1.00 15.27 ? 72 ALA B CB 1 ATOM 2501 N N . GLY B 1 53 ? -1.889 -2.465 -19.782 1.00 12.77 ? 73 GLY B N 1 ATOM 2502 C CA . GLY B 1 53 ? -2.094 -1.388 -20.744 1.00 11.48 ? 73 GLY B CA 1 ATOM 2503 C C . GLY B 1 53 ? -0.878 -0.598 -21.127 1.00 11.47 ? 73 GLY B C 1 ATOM 2504 O O . GLY B 1 53 ? -1.000 0.362 -21.902 1.00 10.26 ? 73 GLY B O 1 ATOM 2505 N N . GLU B 1 54 ? 0.319 -0.968 -20.630 1.00 11.63 ? 74 GLU B N 1 ATOM 2506 C CA . GLU B 1 54 ? 1.539 -0.210 -20.875 1.00 12.84 ? 74 GLU B CA 1 ATOM 2507 C C . GLU B 1 54 ? 1.803 0.016 -22.384 1.00 12.66 ? 74 GLU B C 1 ATOM 2508 O O . GLU B 1 54 ? 2.191 1.125 -22.811 1.00 12.15 ? 74 GLU B O 1 ATOM 2509 C CB . GLU B 1 54 ? 2.780 -0.873 -20.225 1.00 14.71 ? 74 GLU B CB 1 ATOM 2510 C CG . GLU B 1 54 ? 4.068 -0.067 -20.415 1.00 17.59 ? 74 GLU B CG 1 ATOM 2511 C CD . GLU B 1 54 ? 5.367 -0.827 -20.204 1.00 21.13 ? 74 GLU B CD 1 ATOM 2512 O OE1 . GLU B 1 54 ? 6.428 -0.156 -20.203 1.00 20.99 ? 74 GLU B OE1 1 ATOM 2513 O OE2 . GLU B 1 54 ? 5.354 -2.055 -20.058 1.00 22.59 ? 74 GLU B OE2 1 ATOM 2514 N N . PHE B 1 55 ? 1.494 -1.006 -23.190 1.00 12.24 ? 75 PHE B N 1 ATOM 2515 C CA . PHE B 1 55 ? 1.678 -0.950 -24.657 1.00 12.31 ? 75 PHE B CA 1 ATOM 2516 C C . PHE B 1 55 ? 0.965 0.247 -25.304 1.00 11.60 ? 75 PHE B C 1 ATOM 2517 O O . PHE B 1 55 ? 1.354 0.622 -26.422 1.00 12.48 ? 75 PHE B O 1 ATOM 2518 C CB . PHE B 1 55 ? 1.173 -2.274 -25.345 1.00 12.96 ? 75 PHE B CB 1 ATOM 2519 C CG . PHE B 1 55 ? -0.323 -2.387 -25.434 1.00 12.51 ? 75 PHE B CG 1 ATOM 2520 C CD1 . PHE B 1 55 ? -1.073 -2.926 -24.375 1.00 13.63 ? 75 PHE B CD1 1 ATOM 2521 C CD2 . PHE B 1 55 ? -1.003 -1.949 -26.567 1.00 12.42 ? 75 PHE B CD2 1 ATOM 2522 C CE1 . PHE B 1 55 ? -2.470 -3.003 -24.436 1.00 13.00 ? 75 PHE B CE1 1 ATOM 2523 C CE2 . PHE B 1 55 ? -2.411 -2.040 -26.649 1.00 12.85 ? 75 PHE B CE2 1 ATOM 2524 C CZ . PHE B 1 55 ? -3.154 -2.573 -25.575 1.00 12.88 ? 75 PHE B CZ 1 ATOM 2525 N N . SER B 1 56 ? -0.121 0.720 -24.683 1.00 9.70 ? 76 SER B N 1 ATOM 2526 C CA . SER B 1 56 ? -0.977 1.765 -25.242 1.00 10.56 ? 76 SER B CA 1 ATOM 2527 C C . SER B 1 56 ? -0.495 3.176 -24.936 1.00 10.01 ? 76 SER B C 1 ATOM 2528 O O . SER B 1 56 ? -1.087 4.156 -25.432 1.00 10.70 ? 76 SER B O 1 ATOM 2529 C CB . SER B 1 56 ? -2.445 1.587 -24.805 1.00 9.69 ? 76 SER B CB 1 ATOM 2530 O OG . SER B 1 56 ? -2.635 1.840 -23.421 1.00 9.06 ? 76 SER B OG 1 ATOM 2531 N N . LYS B 1 57 ? 0.554 3.316 -24.129 1.00 10.47 ? 77 LYS B N 1 ATOM 2532 C CA . LYS B 1 57 ? 1.078 4.652 -23.820 1.00 10.99 ? 77 LYS B CA 1 ATOM 2533 C C . LYS B 1 57 ? 1.403 5.504 -25.048 1.00 10.22 ? 77 LYS B C 1 ATOM 2534 O O . LYS B 1 57 ? 1.035 6.672 -25.052 1.00 9.95 ? 77 LYS B O 1 ATOM 2535 C CB A LYS B 1 57 ? 2.293 4.491 -22.894 0.50 12.44 ? 77 LYS B CB 1 ATOM 2536 C CB B LYS B 1 57 ? 2.349 4.646 -22.974 0.50 11.52 ? 77 LYS B CB 1 ATOM 2537 C CG A LYS B 1 57 ? 2.853 5.751 -22.321 0.50 14.02 ? 77 LYS B CG 1 ATOM 2538 C CG B LYS B 1 57 ? 2.181 4.083 -21.616 0.50 12.16 ? 77 LYS B CG 1 ATOM 2539 C CD A LYS B 1 57 ? 4.080 5.386 -21.476 0.50 16.14 ? 77 LYS B CD 1 ATOM 2540 C CD B LYS B 1 57 ? 3.540 3.675 -21.114 0.50 14.23 ? 77 LYS B CD 1 ATOM 2541 C CE A LYS B 1 57 ? 3.684 4.297 -20.541 0.50 17.09 ? 77 LYS B CE 1 ATOM 2542 C CE B LYS B 1 57 ? 3.348 3.052 -19.747 0.50 15.39 ? 77 LYS B CE 1 ATOM 2543 N NZ A LYS B 1 57 ? 2.952 4.894 -19.383 0.50 18.09 ? 77 LYS B NZ 1 ATOM 2544 N NZ B LYS B 1 57 ? 2.888 4.095 -18.766 0.50 16.87 ? 77 LYS B NZ 1 ATOM 2545 N N . PRO B 1 58 ? 2.069 4.956 -26.044 1.00 9.92 ? 78 PRO B N 1 ATOM 2546 C CA . PRO B 1 58 ? 2.359 5.759 -27.264 1.00 10.05 ? 78 PRO B CA 1 ATOM 2547 C C . PRO B 1 58 ? 1.138 6.200 -28.059 1.00 9.79 ? 78 PRO B C 1 ATOM 2548 O O . PRO B 1 58 ? 1.245 7.137 -28.864 1.00 10.20 ? 78 PRO B O 1 ATOM 2549 C CB . PRO B 1 58 ? 3.206 4.842 -28.135 1.00 10.32 ? 78 PRO B CB 1 ATOM 2550 C CG . PRO B 1 58 ? 3.638 3.717 -27.253 1.00 11.52 ? 78 PRO B CG 1 ATOM 2551 C CD . PRO B 1 58 ? 2.637 3.596 -26.173 1.00 11.08 ? 78 PRO B CD 1 ATOM 2552 N N . TYR B 1 59 ? -0.034 5.598 -27.807 1.00 9.04 ? 79 TYR B N 1 ATOM 2553 C CA . TYR B 1 59 ? -1.242 5.890 -28.581 1.00 8.82 ? 79 TYR B CA 1 ATOM 2554 C C . TYR B 1 59 ? -1.855 7.232 -28.249 1.00 8.55 ? 79 TYR B C 1 ATOM 2555 O O . TYR B 1 59 ? -2.807 7.636 -28.903 1.00 9.31 ? 79 TYR B O 1 ATOM 2556 C CB . TYR B 1 59 ? -2.263 4.809 -28.415 1.00 8.80 ? 79 TYR B CB 1 ATOM 2557 C CG . TYR B 1 59 ? -1.880 3.406 -28.783 1.00 10.00 ? 79 TYR B CG 1 ATOM 2558 C CD1 . TYR B 1 59 ? -0.656 3.093 -29.390 1.00 10.83 ? 79 TYR B CD1 1 ATOM 2559 C CD2 . TYR B 1 59 ? -2.761 2.356 -28.508 1.00 10.79 ? 79 TYR B CD2 1 ATOM 2560 C CE1 . TYR B 1 59 ? -0.345 1.779 -29.699 1.00 11.76 ? 79 TYR B CE1 1 ATOM 2561 C CE2 . TYR B 1 59 ? -2.440 1.060 -28.815 1.00 10.94 ? 79 TYR B CE2 1 ATOM 2562 C CZ . TYR B 1 59 ? -1.237 0.781 -29.408 1.00 11.93 ? 79 TYR B CZ 1 ATOM 2563 O OH . TYR B 1 59 ? -0.890 -0.559 -29.733 1.00 12.64 ? 79 TYR B OH 1 ATOM 2564 N N . HIS B 1 60 ? -1.323 7.935 -27.274 1.00 8.37 ? 80 HIS B N 1 ATOM 2565 C CA . HIS B 1 60 ? -1.837 9.253 -26.863 1.00 9.26 ? 80 HIS B CA 1 ATOM 2566 C C . HIS B 1 60 ? -1.287 10.410 -27.628 1.00 9.51 ? 80 HIS B C 1 ATOM 2567 O O . HIS B 1 60 ? -1.763 11.549 -27.449 1.00 10.05 ? 80 HIS B O 1 ATOM 2568 C CB . HIS B 1 60 ? -1.699 9.450 -25.308 1.00 9.37 ? 80 HIS B CB 1 ATOM 2569 C CG . HIS B 1 60 ? -2.472 8.410 -24.538 1.00 9.49 ? 80 HIS B CG 1 ATOM 2570 N ND1 . HIS B 1 60 ? -3.562 8.693 -23.740 1.00 10.38 ? 80 HIS B ND1 1 ATOM 2571 C CD2 . HIS B 1 60 ? -2.331 7.063 -24.500 1.00 10.11 ? 80 HIS B CD2 1 ATOM 2572 C CE1 . HIS B 1 60 ? -4.094 7.581 -23.275 1.00 9.63 ? 80 HIS B CE1 1 ATOM 2573 N NE2 . HIS B 1 60 ? -3.340 6.571 -23.689 1.00 10.58 ? 80 HIS B NE2 1 ATOM 2574 N N . PHE B 1 61 ? -0.257 10.174 -28.449 1.00 9.52 ? 81 PHE B N 1 ATOM 2575 C CA . PHE B 1 61 ? 0.421 11.282 -29.079 1.00 10.34 ? 81 PHE B CA 1 ATOM 2576 C C . PHE B 1 61 ? 1.074 10.884 -30.377 1.00 9.72 ? 81 PHE B C 1 ATOM 2577 O O . PHE B 1 61 ? 1.164 9.719 -30.728 1.00 8.24 ? 81 PHE B O 1 ATOM 2578 C CB . PHE B 1 61 ? 1.414 11.934 -28.092 1.00 12.52 ? 81 PHE B CB 1 ATOM 2579 C CG . PHE B 1 61 ? 2.419 10.982 -27.573 1.00 12.94 ? 81 PHE B CG 1 ATOM 2580 C CD1 . PHE B 1 61 ? 3.531 10.679 -28.282 1.00 14.17 ? 81 PHE B CD1 1 ATOM 2581 C CD2 . PHE B 1 61 ? 2.216 10.388 -26.349 1.00 12.98 ? 81 PHE B CD2 1 ATOM 2582 C CE1 . PHE B 1 61 ? 4.479 9.748 -27.778 1.00 16.16 ? 81 PHE B CE1 1 ATOM 2583 C CE2 . PHE B 1 61 ? 3.088 9.454 -25.857 1.00 13.66 ? 81 PHE B CE2 1 ATOM 2584 C CZ . PHE B 1 61 ? 4.236 9.127 -26.562 1.00 13.89 ? 81 PHE B CZ 1 ATOM 2585 N N . ILE B 1 62 ? 1.516 11.882 -31.117 1.00 10.42 ? 82 ILE B N 1 ATOM 2586 C CA . ILE B 1 62 ? 2.418 11.648 -32.264 1.00 10.67 ? 82 ILE B CA 1 ATOM 2587 C C . ILE B 1 62 ? 3.575 12.653 -32.079 1.00 10.98 ? 82 ILE B C 1 ATOM 2588 O O . ILE B 1 62 ? 3.359 13.861 -32.026 1.00 12.15 ? 82 ILE B O 1 ATOM 2589 C CB . ILE B 1 62 ? 1.738 11.667 -33.640 1.00 11.48 ? 82 ILE B CB 1 ATOM 2590 C CG1 . ILE B 1 62 ? 2.794 11.365 -34.751 1.00 11.52 ? 82 ILE B CG1 1 ATOM 2591 C CG2 . ILE B 1 62 ? 0.982 12.989 -33.867 1.00 11.48 ? 82 ILE B CG2 1 ATOM 2592 C CD1 . ILE B 1 62 ? 2.253 10.989 -36.100 1.00 11.80 ? 82 ILE B CD1 1 ATOM 2593 N N . ASP B 1 63 ? 4.803 12.130 -31.980 1.00 10.85 ? 83 ASP B N 1 ATOM 2594 C CA . ASP B 1 63 ? 5.930 12.987 -31.663 1.00 11.85 ? 83 ASP B CA 1 ATOM 2595 C C . ASP B 1 63 ? 6.449 13.678 -32.958 1.00 12.89 ? 83 ASP B C 1 ATOM 2596 O O . ASP B 1 63 ? 7.442 13.235 -33.558 1.00 12.05 ? 83 ASP B O 1 ATOM 2597 C CB . ASP B 1 63 ? 7.031 12.159 -31.031 1.00 12.95 ? 83 ASP B CB 1 ATOM 2598 C CG . ASP B 1 63 ? 6.912 12.079 -29.549 1.00 14.88 ? 83 ASP B CG 1 ATOM 2599 O OD1 . ASP B 1 63 ? 6.274 12.943 -28.905 1.00 15.25 ? 83 ASP B OD1 1 ATOM 2600 O OD2 . ASP B 1 63 ? 7.570 11.177 -28.997 1.00 15.85 ? 83 ASP B OD2 1 ATOM 2601 N N . ALA B 1 64 ? 5.765 14.726 -33.375 1.00 11.81 ? 84 ALA B N 1 ATOM 2602 C CA . ALA B 1 64 ? 6.144 15.415 -34.567 1.00 11.53 ? 84 ALA B CA 1 ATOM 2603 C C . ALA B 1 64 ? 7.569 15.987 -34.427 1.00 11.21 ? 84 ALA B C 1 ATOM 2604 O O . ALA B 1 64 ? 7.844 16.744 -33.516 1.00 9.46 ? 84 ALA B O 1 ATOM 2605 C CB . ALA B 1 64 ? 5.154 16.523 -34.892 1.00 10.64 ? 84 ALA B CB 1 ATOM 2606 N N . GLN B 1 65 ? 8.421 15.742 -35.432 1.00 12.76 ? 85 GLN B N 1 ATOM 2607 C CA . GLN B 1 65 ? 9.839 16.158 -35.397 1.00 13.82 ? 85 GLN B CA 1 ATOM 2608 C C . GLN B 1 65 ? 10.051 17.381 -36.254 1.00 14.79 ? 85 GLN B C 1 ATOM 2609 O O . GLN B 1 65 ? 10.679 17.332 -37.318 1.00 16.45 ? 85 GLN B O 1 ATOM 2610 C CB . GLN B 1 65 ? 10.744 15.018 -35.825 1.00 13.42 ? 85 GLN B CB 1 ATOM 2611 C CG . GLN B 1 65 ? 10.610 13.807 -34.926 1.00 13.84 ? 85 GLN B CG 1 ATOM 2612 C CD . GLN B 1 65 ? 11.469 12.672 -35.372 1.00 14.12 ? 85 GLN B CD 1 ATOM 2613 O OE1 . GLN B 1 65 ? 12.667 12.552 -34.992 1.00 15.45 ? 85 GLN B OE1 1 ATOM 2614 N NE2 . GLN B 1 65 ? 10.914 11.839 -36.192 1.00 14.58 ? 85 GLN B NE2 1 ATOM 2615 N N . ASP B 1 66 ? 9.523 18.484 -35.791 1.00 13.86 ? 86 ASP B N 1 ATOM 2616 C CA . ASP B 1 66 ? 9.573 19.726 -36.520 1.00 14.77 ? 86 ASP B CA 1 ATOM 2617 C C . ASP B 1 66 ? 10.472 20.689 -35.724 1.00 14.75 ? 86 ASP B C 1 ATOM 2618 O O . ASP B 1 66 ? 11.270 20.243 -34.867 1.00 14.61 ? 86 ASP B O 1 ATOM 2619 C CB . ASP B 1 66 ? 8.144 20.225 -36.785 1.00 14.47 ? 86 ASP B CB 1 ATOM 2620 C CG . ASP B 1 66 ? 7.303 20.340 -35.518 1.00 14.87 ? 86 ASP B CG 1 ATOM 2621 O OD1 . ASP B 1 66 ? 7.805 20.100 -34.383 1.00 15.81 ? 86 ASP B OD1 1 ATOM 2622 O OD2 . ASP B 1 66 ? 6.090 20.685 -35.632 1.00 14.44 ? 86 ASP B OD2 1 ATOM 2623 N N . ASN B 1 67 ? 10.426 21.979 -36.036 1.00 15.85 ? 87 ASN B N 1 ATOM 2624 C CA . ASN B 1 67 ? 11.376 22.956 -35.416 1.00 17.18 ? 87 ASN B CA 1 ATOM 2625 C C . ASN B 1 67 ? 10.631 24.197 -34.934 1.00 15.86 ? 87 ASN B C 1 ATOM 2626 O O . ASN B 1 67 ? 10.765 25.271 -35.518 1.00 16.45 ? 87 ASN B O 1 ATOM 2627 C CB . ASN B 1 67 ? 12.539 23.328 -36.381 1.00 20.95 ? 87 ASN B CB 1 ATOM 2628 C CG . ASN B 1 67 ? 13.548 24.301 -35.711 1.00 23.64 ? 87 ASN B CG 1 ATOM 2629 O OD1 . ASN B 1 67 ? 13.834 24.214 -34.502 1.00 28.37 ? 87 ASN B OD1 1 ATOM 2630 N ND2 . ASN B 1 67 ? 14.078 25.243 -36.497 1.00 26.59 ? 87 ASN B ND2 1 ATOM 2631 N N . PRO B 1 68 ? 9.752 24.039 -33.919 1.00 16.24 ? 88 PRO B N 1 ATOM 2632 C CA . PRO B 1 68 ? 8.933 25.152 -33.489 1.00 15.66 ? 88 PRO B CA 1 ATOM 2633 C C . PRO B 1 68 ? 9.739 26.150 -32.679 1.00 15.91 ? 88 PRO B C 1 ATOM 2634 O O . PRO B 1 68 ? 10.661 25.729 -31.976 1.00 19.04 ? 88 PRO B O 1 ATOM 2635 C CB . PRO B 1 68 ? 7.868 24.485 -32.595 1.00 15.50 ? 88 PRO B CB 1 ATOM 2636 C CG . PRO B 1 68 ? 8.550 23.275 -32.038 1.00 16.22 ? 88 PRO B CG 1 ATOM 2637 C CD . PRO B 1 68 ? 9.463 22.808 -33.136 1.00 15.65 ? 88 PRO B CD 1 ATOM 2638 N N . PRO B 1 69 ? 9.428 27.452 -32.756 1.00 17.05 ? 89 PRO B N 1 ATOM 2639 C CA . PRO B 1 69 ? 8.255 28.015 -33.452 1.00 17.84 ? 89 PRO B CA 1 ATOM 2640 C C . PRO B 1 69 ? 8.512 28.448 -34.909 1.00 20.41 ? 89 PRO B C 1 ATOM 2641 O O . PRO B 1 69 ? 7.635 29.025 -35.542 1.00 18.08 ? 89 PRO B O 1 ATOM 2642 C CB . PRO B 1 69 ? 7.923 29.226 -32.600 1.00 17.87 ? 89 PRO B CB 1 ATOM 2643 C CG . PRO B 1 69 ? 9.277 29.680 -32.124 1.00 16.88 ? 89 PRO B CG 1 ATOM 2644 C CD . PRO B 1 69 ? 9.993 28.412 -31.783 1.00 17.63 ? 89 PRO B CD 1 ATOM 2645 N N . GLN B 1 70 ? 9.697 28.172 -35.419 1.00 21.81 ? 90 GLN B N 1 ATOM 2646 C CA . GLN B 1 70 ? 10.032 28.601 -36.802 1.00 24.83 ? 90 GLN B CA 1 ATOM 2647 C C . GLN B 1 70 ? 9.286 27.822 -37.864 1.00 20.95 ? 90 GLN B C 1 ATOM 2648 O O . GLN B 1 70 ? 8.909 28.371 -38.895 1.00 21.83 ? 90 GLN B O 1 ATOM 2649 C CB . GLN B 1 70 ? 11.547 28.425 -37.044 1.00 30.35 ? 90 GLN B CB 1 ATOM 2650 C CG . GLN B 1 70 ? 12.424 29.403 -36.277 1.00 41.47 ? 90 GLN B CG 1 ATOM 2651 C CD . GLN B 1 70 ? 13.895 28.954 -36.334 1.00 55.45 ? 90 GLN B CD 1 ATOM 2652 O OE1 . GLN B 1 70 ? 14.461 28.829 -37.435 1.00 57.58 ? 90 GLN B OE1 1 ATOM 2653 N NE2 . GLN B 1 70 ? 14.514 28.703 -35.156 1.00 57.84 ? 90 GLN B NE2 1 ATOM 2654 N N . SER B 1 71 ? 9.165 26.526 -37.641 1.00 18.32 ? 91 SER B N 1 ATOM 2655 C CA . SER B 1 71 ? 8.601 25.591 -38.647 1.00 17.26 ? 91 SER B CA 1 ATOM 2656 C C . SER B 1 71 ? 7.875 24.454 -37.913 1.00 16.29 ? 91 SER B C 1 ATOM 2657 O O . SER B 1 71 ? 8.426 23.880 -36.963 1.00 15.62 ? 91 SER B O 1 ATOM 2658 C CB . SER B 1 71 ? 9.754 24.970 -39.422 1.00 20.47 ? 91 SER B CB 1 ATOM 2659 O OG . SER B 1 71 ? 9.261 24.202 -40.484 1.00 24.67 ? 91 SER B OG 1 ATOM 2660 N N . CYS B 1 72 ? 6.602 24.208 -38.252 1.00 14.20 ? 92 CYS B N 1 ATOM 2661 C CA . CYS B 1 72 ? 5.852 23.134 -37.651 1.00 14.57 ? 92 CYS B CA 1 ATOM 2662 C C . CYS B 1 72 ? 5.409 22.141 -38.757 1.00 12.79 ? 92 CYS B C 1 ATOM 2663 O O . CYS B 1 72 ? 5.157 22.566 -39.871 1.00 14.28 ? 92 CYS B O 1 ATOM 2664 C CB . CYS B 1 72 ? 4.620 23.715 -36.967 1.00 17.23 ? 92 CYS B CB 1 ATOM 2665 S SG . CYS B 1 72 ? 4.916 24.264 -35.254 1.00 20.90 ? 92 CYS B SG 1 ATOM 2666 N N . GLY B 1 73 ? 5.231 20.887 -38.438 1.00 10.49 ? 93 GLY B N 1 ATOM 2667 C CA . GLY B 1 73 ? 4.741 19.933 -39.407 1.00 10.93 ? 93 GLY B CA 1 ATOM 2668 C C . GLY B 1 73 ? 4.718 18.552 -38.796 1.00 11.46 ? 93 GLY B C 1 ATOM 2669 O O . GLY B 1 73 ? 5.564 18.257 -38.003 1.00 11.46 ? 93 GLY B O 1 ATOM 2670 N N . VAL B 1 74 ? 3.775 17.726 -39.198 1.00 11.39 ? 94 VAL B N 1 ATOM 2671 C CA . VAL B 1 74 ? 3.652 16.355 -38.709 1.00 13.42 ? 94 VAL B CA 1 ATOM 2672 C C . VAL B 1 74 ? 3.694 15.478 -39.931 1.00 13.74 ? 94 VAL B C 1 ATOM 2673 O O . VAL B 1 74 ? 3.083 15.845 -40.965 1.00 13.05 ? 94 VAL B O 1 ATOM 2674 C CB . VAL B 1 74 ? 2.301 16.105 -38.034 1.00 14.49 ? 94 VAL B CB 1 ATOM 2675 C CG1 . VAL B 1 74 ? 2.333 14.786 -37.250 1.00 14.90 ? 94 VAL B CG1 1 ATOM 2676 C CG2 . VAL B 1 74 ? 1.971 17.234 -37.095 1.00 15.77 ? 94 VAL B CG2 1 ATOM 2677 N N . ASP B 1 75 ? 4.374 14.351 -39.817 1.00 13.09 ? 95 ASP B N 1 ATOM 2678 C CA . ASP B 1 75 ? 4.519 13.433 -40.938 1.00 14.27 ? 95 ASP B CA 1 ATOM 2679 C C . ASP B 1 75 ? 4.336 12.032 -40.373 1.00 13.07 ? 95 ASP B C 1 ATOM 2680 O O . ASP B 1 75 ? 5.113 11.602 -39.558 1.00 13.94 ? 95 ASP B O 1 ATOM 2681 C CB . ASP B 1 75 ? 5.892 13.643 -41.569 1.00 15.25 ? 95 ASP B CB 1 ATOM 2682 C CG . ASP B 1 75 ? 6.273 12.630 -42.725 1.00 18.69 ? 95 ASP B CG 1 ATOM 2683 O OD1 . ASP B 1 75 ? 6.063 11.396 -42.663 1.00 18.28 ? 95 ASP B OD1 1 ATOM 2684 O OD2 . ASP B 1 75 ? 6.964 13.100 -43.674 1.00 24.58 ? 95 ASP B OD2 1 ATOM 2685 N N . TYR B 1 76 ? 3.314 11.314 -40.827 1.00 12.93 ? 96 TYR B N 1 ATOM 2686 C CA . TYR B 1 76 ? 3.034 9.978 -40.289 1.00 12.38 ? 96 TYR B CA 1 ATOM 2687 C C . TYR B 1 76 ? 4.213 8.996 -40.313 1.00 13.82 ? 96 TYR B C 1 ATOM 2688 O O . TYR B 1 76 ? 4.561 8.358 -39.301 1.00 11.62 ? 96 TYR B O 1 ATOM 2689 C CB . TYR B 1 76 ? 1.848 9.345 -41.025 1.00 13.10 ? 96 TYR B CB 1 ATOM 2690 C CG . TYR B 1 76 ? 1.350 8.000 -40.531 1.00 12.56 ? 96 TYR B CG 1 ATOM 2691 C CD1 . TYR B 1 76 ? 0.890 7.840 -39.229 1.00 13.48 ? 96 TYR B CD1 1 ATOM 2692 C CD2 . TYR B 1 76 ? 1.281 6.887 -41.402 1.00 13.42 ? 96 TYR B CD2 1 ATOM 2693 C CE1 . TYR B 1 76 ? 0.398 6.613 -38.788 1.00 12.62 ? 96 TYR B CE1 1 ATOM 2694 C CE2 . TYR B 1 76 ? 0.753 5.688 -40.996 1.00 12.79 ? 96 TYR B CE2 1 ATOM 2695 C CZ . TYR B 1 76 ? 0.298 5.570 -39.691 1.00 13.11 ? 96 TYR B CZ 1 ATOM 2696 O OH . TYR B 1 76 ? -0.203 4.384 -39.247 1.00 15.23 ? 96 TYR B OH 1 ATOM 2697 N N . ASP B 1 77 ? 4.787 8.806 -41.493 1.00 14.81 ? 97 ASP B N 1 ATOM 2698 C CA . ASP B 1 77 ? 5.853 7.831 -41.611 1.00 17.53 ? 97 ASP B CA 1 ATOM 2699 C C . ASP B 1 77 ? 7.055 8.225 -40.793 1.00 16.01 ? 97 ASP B C 1 ATOM 2700 O O . ASP B 1 77 ? 7.680 7.382 -40.199 1.00 16.00 ? 97 ASP B O 1 ATOM 2701 C CB . ASP B 1 77 ? 6.283 7.633 -43.078 1.00 22.21 ? 97 ASP B CB 1 ATOM 2702 C CG . ASP B 1 77 ? 7.303 6.510 -43.213 1.00 27.20 ? 97 ASP B CG 1 ATOM 2703 O OD1 . ASP B 1 77 ? 6.872 5.346 -43.022 1.00 34.44 ? 97 ASP B OD1 1 ATOM 2704 O OD2 . ASP B 1 77 ? 8.520 6.778 -43.410 1.00 28.80 ? 97 ASP B OD2 1 ATOM 2705 N N . ARG B 1 78 ? 7.375 9.518 -40.777 1.00 15.07 ? 98 ARG B N 1 ATOM 2706 C CA . ARG B 1 78 ? 8.549 10.026 -40.083 1.00 14.34 ? 98 ARG B CA 1 ATOM 2707 C C . ARG B 1 78 ? 8.364 9.959 -38.539 1.00 13.92 ? 98 ARG B C 1 ATOM 2708 O O . ARG B 1 78 ? 9.329 9.688 -37.799 1.00 14.26 ? 98 ARG B O 1 ATOM 2709 C CB . ARG B 1 78 ? 8.812 11.444 -40.493 1.00 14.67 ? 98 ARG B CB 1 ATOM 2710 C CG . ARG B 1 78 ? 10.081 12.058 -39.936 1.00 15.43 ? 98 ARG B CG 1 ATOM 2711 C CD . ARG B 1 78 ? 10.134 13.577 -40.191 1.00 17.45 ? 98 ARG B CD 1 ATOM 2712 N NE . ARG B 1 78 ? 9.073 14.304 -39.484 1.00 15.54 ? 98 ARG B NE 1 ATOM 2713 C CZ . ARG B 1 78 ? 8.720 15.563 -39.706 1.00 16.48 ? 98 ARG B CZ 1 ATOM 2714 N NH1 . ARG B 1 78 ? 9.337 16.297 -40.634 1.00 19.08 ? 98 ARG B NH1 1 ATOM 2715 N NH2 . ARG B 1 78 ? 7.720 16.100 -39.019 1.00 15.72 ? 98 ARG B NH2 1 ATOM 2716 N N . ASP B 1 79 ? 7.135 10.157 -38.075 1.00 12.66 ? 99 ASP B N 1 ATOM 2717 C CA . ASP B 1 79 ? 6.912 10.583 -36.684 1.00 11.73 ? 99 ASP B CA 1 ATOM 2718 C C . ASP B 1 79 ? 6.143 9.554 -35.869 1.00 12.14 ? 99 ASP B C 1 ATOM 2719 O O . ASP B 1 79 ? 6.218 9.587 -34.665 1.00 12.30 ? 99 ASP B O 1 ATOM 2720 C CB . ASP B 1 79 ? 6.144 11.902 -36.624 1.00 11.88 ? 99 ASP B CB 1 ATOM 2721 C CG . ASP B 1 79 ? 6.913 13.080 -37.189 1.00 10.90 ? 99 ASP B CG 1 ATOM 2722 O OD1 . ASP B 1 79 ? 8.147 13.079 -37.191 1.00 11.75 ? 99 ASP B OD1 1 ATOM 2723 O OD2 . ASP B 1 79 ? 6.253 14.013 -37.628 1.00 11.53 ? 99 ASP B OD2 1 ATOM 2724 N N . CYS B 1 80 ? 5.411 8.637 -36.505 1.00 13.76 ? 100 CYS B N 1 ATOM 2725 C CA . CYS B 1 80 ? 4.576 7.650 -35.734 1.00 14.18 ? 100 CYS B CA 1 ATOM 2726 C C . CYS B 1 80 ? 5.425 6.773 -34.819 1.00 15.48 ? 100 CYS B C 1 ATOM 2727 O O . CYS B 1 80 ? 5.272 6.765 -33.564 1.00 15.80 ? 100 CYS B O 1 ATOM 2728 C CB . CYS B 1 80 ? 3.711 6.781 -36.653 1.00 14.53 ? 100 CYS B CB 1 ATOM 2729 S SG . CYS B 1 80 ? 2.443 5.869 -35.671 1.00 15.10 ? 100 CYS B SG 1 ATOM 2730 N N . GLY B 1 81 ? 6.400 6.111 -35.441 1.00 16.08 ? 101 GLY B N 1 ATOM 2731 C CA . GLY B 1 81 ? 7.351 5.237 -34.711 1.00 16.72 ? 101 GLY B CA 1 ATOM 2732 C C . GLY B 1 81 ? 6.917 3.772 -34.694 1.00 17.45 ? 101 GLY B C 1 ATOM 2733 O O . GLY B 1 81 ? 5.766 3.418 -35.018 1.00 16.25 ? 101 GLY B O 1 ATOM 2734 N N . SER B 1 82 ? 7.862 2.922 -34.284 1.00 19.34 ? 102 SER B N 1 ATOM 2735 C CA . SER B 1 82 ? 7.661 1.458 -34.287 1.00 22.01 ? 102 SER B CA 1 ATOM 2736 C C . SER B 1 82 ? 6.636 0.923 -33.265 1.00 20.09 ? 102 SER B C 1 ATOM 2737 O O . SER B 1 82 ? 6.148 -0.202 -33.417 1.00 24.48 ? 102 SER B O 1 ATOM 2738 C CB . SER B 1 82 ? 9.013 0.761 -34.034 1.00 23.83 ? 102 SER B CB 1 ATOM 2739 O OG . SER B 1 82 ? 9.687 1.313 -32.865 1.00 28.17 ? 102 SER B OG 1 ATOM 2740 N N . ALA B 1 83 ? 6.263 1.732 -32.277 1.00 15.55 ? 103 ALA B N 1 ATOM 2741 C CA . ALA B 1 83 ? 5.364 1.294 -31.239 1.00 15.43 ? 103 ALA B CA 1 ATOM 2742 C C . ALA B 1 83 ? 3.962 1.837 -31.443 1.00 15.27 ? 103 ALA B C 1 ATOM 2743 O O . ALA B 1 83 ? 3.095 1.584 -30.619 1.00 15.22 ? 103 ALA B O 1 ATOM 2744 C CB . ALA B 1 83 ? 5.891 1.702 -29.886 1.00 16.79 ? 103 ALA B CB 1 ATOM 2745 N N . GLY B 1 84 ? 3.760 2.573 -32.522 1.00 13.70 ? 104 GLY B N 1 ATOM 2746 C CA . GLY B 1 84 ? 2.421 3.118 -32.822 1.00 12.98 ? 104 GLY B CA 1 ATOM 2747 C C . GLY B 1 84 ? 2.285 4.506 -32.211 1.00 11.59 ? 104 GLY B C 1 ATOM 2748 O O . GLY B 1 84 ? 3.180 5.011 -31.535 1.00 12.45 ? 104 GLY B O 1 ATOM 2749 N N . CYS B 1 85 ? 1.174 5.154 -32.522 1.00 10.58 ? 105 CYS B N 1 ATOM 2750 C CA . CYS B 1 85 ? 0.923 6.542 -32.125 1.00 10.13 ? 105 CYS B CA 1 ATOM 2751 C C . CYS B 1 85 ? -0.564 6.796 -32.168 1.00 9.57 ? 105 CYS B C 1 ATOM 2752 O O . CYS B 1 85 ? -1.341 5.896 -32.487 1.00 8.88 ? 105 CYS B O 1 ATOM 2753 C CB . CYS B 1 85 ? 1.650 7.497 -33.088 1.00 11.34 ? 105 CYS B CB 1 ATOM 2754 S SG . CYS B 1 85 ? 1.133 7.385 -34.839 1.00 12.19 ? 105 CYS B SG 1 ATOM 2755 N N . SER B 1 86 ? -0.958 8.027 -31.872 1.00 9.49 ? 106 SER B N 1 ATOM 2756 C CA . SER B 1 86 ? -2.364 8.381 -31.942 1.00 9.47 ? 106 SER B CA 1 ATOM 2757 C C . SER B 1 86 ? -3.022 8.086 -33.253 1.00 9.54 ? 106 SER B C 1 ATOM 2758 O O . SER B 1 86 ? -4.172 7.547 -33.314 1.00 10.00 ? 106 SER B O 1 ATOM 2759 C CB . SER B 1 86 ? -2.519 9.829 -31.539 1.00 9.44 ? 106 SER B CB 1 ATOM 2760 O OG . SER B 1 86 ? -1.752 10.669 -32.371 1.00 9.72 ? 106 SER B OG 1 ATOM 2761 N N . ILE B 1 87 ? -2.327 8.420 -34.338 1.00 10.26 ? 107 ILE B N 1 ATOM 2762 C CA . ILE B 1 87 ? -2.855 8.194 -35.667 1.00 9.56 ? 107 ILE B CA 1 ATOM 2763 C C . ILE B 1 87 ? -3.072 6.674 -35.997 1.00 9.68 ? 107 ILE B C 1 ATOM 2764 O O . ILE B 1 87 ? -4.136 6.307 -36.500 1.00 8.40 ? 107 ILE B O 1 ATOM 2765 C CB . ILE B 1 87 ? -1.918 8.831 -36.708 1.00 10.22 ? 107 ILE B CB 1 ATOM 2766 C CG1 . ILE B 1 87 ? -1.591 10.299 -36.405 1.00 11.36 ? 107 ILE B CG1 1 ATOM 2767 C CG2 . ILE B 1 87 ? -2.456 8.732 -38.109 1.00 10.24 ? 107 ILE B CG2 1 ATOM 2768 C CD1 . ILE B 1 87 ? -2.804 11.176 -36.151 1.00 11.62 ? 107 ILE B CD1 1 ATOM 2769 N N . SER B 1 88 ? -2.073 5.823 -35.721 1.00 9.19 ? 108 SER B N 1 ATOM 2770 C CA . SER B 1 88 ? -2.201 4.416 -35.973 1.00 9.96 ? 108 SER B CA 1 ATOM 2771 C C . SER B 1 88 ? -3.272 3.768 -35.100 1.00 11.22 ? 108 SER B C 1 ATOM 2772 O O . SER B 1 88 ? -3.994 2.866 -35.533 1.00 12.21 ? 108 SER B O 1 ATOM 2773 C CB . SER B 1 88 ? -0.850 3.659 -35.848 1.00 10.82 ? 108 SER B CB 1 ATOM 2774 O OG . SER B 1 88 ? -0.373 3.615 -34.546 1.00 9.32 ? 108 SER B OG 1 ATOM 2775 N N . ALA B 1 89 ? -3.427 4.271 -33.874 1.00 11.53 ? 109 ALA B N 1 ATOM 2776 C CA . ALA B 1 89 ? -4.422 3.788 -32.974 1.00 10.89 ? 109 ALA B CA 1 ATOM 2777 C C . ALA B 1 89 ? -5.829 4.144 -33.492 1.00 11.09 ? 109 ALA B C 1 ATOM 2778 O O . ALA B 1 89 ? -6.741 3.292 -33.499 1.00 10.35 ? 109 ALA B O 1 ATOM 2779 C CB . ALA B 1 89 ? -4.203 4.403 -31.540 1.00 11.32 ? 109 ALA B CB 1 ATOM 2780 N N . ILE B 1 90 ? -6.031 5.375 -33.938 1.00 10.39 ? 110 ILE B N 1 ATOM 2781 C CA . ILE B 1 90 ? -7.321 5.706 -34.549 1.00 11.08 ? 110 ILE B CA 1 ATOM 2782 C C . ILE B 1 90 ? -7.608 4.751 -35.701 1.00 11.11 ? 110 ILE B C 1 ATOM 2783 O O . ILE B 1 90 ? -8.753 4.301 -35.888 1.00 10.92 ? 110 ILE B O 1 ATOM 2784 C CB . ILE B 1 90 ? -7.416 7.170 -34.975 1.00 10.68 ? 110 ILE B CB 1 ATOM 2785 C CG1 . ILE B 1 90 ? -7.423 8.085 -33.734 1.00 11.61 ? 110 ILE B CG1 1 ATOM 2786 C CG2 . ILE B 1 90 ? -8.629 7.457 -35.872 1.00 11.12 ? 110 ILE B CG2 1 ATOM 2787 C CD1 . ILE B 1 90 ? -8.590 7.862 -32.784 1.00 11.91 ? 110 ILE B CD1 1 ATOM 2788 N N . GLN B 1 91 ? -6.631 4.515 -36.548 1.00 10.94 ? 111 GLN B N 1 ATOM 2789 C CA . GLN B 1 91 ? -6.882 3.544 -37.609 1.00 12.76 ? 111 GLN B CA 1 ATOM 2790 C C . GLN B 1 91 ? -7.371 2.196 -37.070 1.00 12.98 ? 111 GLN B C 1 ATOM 2791 O O . GLN B 1 91 ? -8.452 1.640 -37.498 1.00 13.02 ? 111 GLN B O 1 ATOM 2792 C CB . GLN B 1 91 ? -5.637 3.381 -38.494 1.00 14.61 ? 111 GLN B CB 1 ATOM 2793 C CG . GLN B 1 91 ? -5.738 2.297 -39.589 1.00 16.00 ? 111 GLN B CG 1 ATOM 2794 C CD . GLN B 1 91 ? -4.501 2.182 -40.408 1.00 20.52 ? 111 GLN B CD 1 ATOM 2795 O OE1 . GLN B 1 91 ? -3.411 2.011 -39.879 1.00 22.70 ? 111 GLN B OE1 1 ATOM 2796 N NE2 . GLN B 1 91 ? -4.669 2.193 -41.727 1.00 22.04 ? 111 GLN B NE2 1 ATOM 2797 N N . ASN B 1 92 ? -6.577 1.643 -36.169 1.00 13.08 ? 112 ASN B N 1 ATOM 2798 C CA A ASN B 1 92 ? -6.821 0.291 -35.693 0.50 13.86 ? 112 ASN B CA 1 ATOM 2799 C CA B ASN B 1 92 ? -6.853 0.303 -35.677 0.50 13.58 ? 112 ASN B CA 1 ATOM 2800 C C . ASN B 1 92 ? -8.173 0.187 -34.963 1.00 12.83 ? 112 ASN B C 1 ATOM 2801 O O . ASN B 1 92 ? -8.994 -0.713 -35.259 1.00 12.43 ? 112 ASN B O 1 ATOM 2802 C CB A ASN B 1 92 ? -5.585 -0.254 -34.950 0.50 15.36 ? 112 ASN B CB 1 ATOM 2803 C CB B ASN B 1 92 ? -5.776 -0.202 -34.740 0.50 14.63 ? 112 ASN B CB 1 ATOM 2804 C CG A ASN B 1 92 ? -4.545 -0.837 -35.910 0.50 17.19 ? 112 ASN B CG 1 ATOM 2805 C CG B ASN B 1 92 ? -5.981 -1.668 -34.411 0.50 15.78 ? 112 ASN B CG 1 ATOM 2806 O OD1 A ASN B 1 92 ? -4.691 -0.798 -37.138 0.50 19.46 ? 112 ASN B OD1 1 ATOM 2807 O OD1 B ASN B 1 92 ? -6.404 -2.018 -33.316 0.50 19.04 ? 112 ASN B OD1 1 ATOM 2808 N ND2 A ASN B 1 92 ? -3.483 -1.392 -35.350 0.50 19.50 ? 112 ASN B ND2 1 ATOM 2809 N ND2 B ASN B 1 92 ? -5.773 -2.516 -35.390 0.50 16.88 ? 112 ASN B ND2 1 ATOM 2810 N N . TYR B 1 93 ? -8.437 1.144 -34.059 1.00 12.34 ? 113 TYR B N 1 ATOM 2811 C CA . TYR B 1 93 ? -9.645 1.056 -33.265 1.00 12.26 ? 113 TYR B CA 1 ATOM 2812 C C . TYR B 1 93 ? -10.886 1.447 -34.085 1.00 12.01 ? 113 TYR B C 1 ATOM 2813 O O . TYR B 1 93 ? -11.981 0.929 -33.831 1.00 11.79 ? 113 TYR B O 1 ATOM 2814 C CB . TYR B 1 93 ? -9.544 1.848 -31.937 1.00 12.78 ? 113 TYR B CB 1 ATOM 2815 C CG . TYR B 1 93 ? -8.489 1.240 -31.042 1.00 13.15 ? 113 TYR B CG 1 ATOM 2816 C CD1 . TYR B 1 93 ? -8.620 -0.072 -30.595 1.00 13.60 ? 113 TYR B CD1 1 ATOM 2817 C CD2 . TYR B 1 93 ? -7.322 1.945 -30.681 1.00 13.22 ? 113 TYR B CD2 1 ATOM 2818 C CE1 . TYR B 1 93 ? -7.631 -0.685 -29.814 1.00 13.26 ? 113 TYR B CE1 1 ATOM 2819 C CE2 . TYR B 1 93 ? -6.334 1.341 -29.886 1.00 13.44 ? 113 TYR B CE2 1 ATOM 2820 C CZ . TYR B 1 93 ? -6.505 0.025 -29.457 1.00 14.41 ? 113 TYR B CZ 1 ATOM 2821 O OH . TYR B 1 93 ? -5.527 -0.656 -28.715 1.00 15.37 ? 113 TYR B OH 1 ATOM 2822 N N . THR B 1 94 ? -10.743 2.386 -35.016 1.00 12.33 ? 114 THR B N 1 ATOM 2823 C CA . THR B 1 94 ? -11.841 2.649 -35.977 1.00 11.82 ? 114 THR B CA 1 ATOM 2824 C C . THR B 1 94 ? -12.146 1.376 -36.792 1.00 12.28 ? 114 THR B C 1 ATOM 2825 O O . THR B 1 94 ? -13.326 0.979 -36.928 1.00 13.26 ? 114 THR B O 1 ATOM 2826 C CB . THR B 1 94 ? -11.580 3.869 -36.891 1.00 12.40 ? 114 THR B CB 1 ATOM 2827 O OG1 . THR B 1 94 ? -11.316 5.047 -36.083 1.00 11.52 ? 114 THR B OG1 1 ATOM 2828 C CG2 . THR B 1 94 ? -12.774 4.133 -37.807 1.00 12.38 ? 114 THR B CG2 1 ATOM 2829 N N . ASN B 1 95 ? -11.135 0.748 -37.307 1.00 13.16 ? 115 ASN B N 1 ATOM 2830 C CA . ASN B 1 95 ? -11.375 -0.501 -38.088 1.00 16.29 ? 115 ASN B CA 1 ATOM 2831 C C . ASN B 1 95 ? -12.017 -1.600 -37.288 1.00 15.66 ? 115 ASN B C 1 ATOM 2832 O O . ASN B 1 95 ? -12.935 -2.247 -37.804 1.00 16.45 ? 115 ASN B O 1 ATOM 2833 C CB . ASN B 1 95 ? -10.123 -0.917 -38.831 1.00 17.05 ? 115 ASN B CB 1 ATOM 2834 C CG . ASN B 1 95 ? -9.848 0.032 -40.005 1.00 21.25 ? 115 ASN B CG 1 ATOM 2835 O OD1 . ASN B 1 95 ? -10.766 0.744 -40.492 1.00 24.39 ? 115 ASN B OD1 1 ATOM 2836 N ND2 . ASN B 1 95 ? -8.607 0.111 -40.422 1.00 23.65 ? 115 ASN B ND2 1 ATOM 2837 N N . ILE B 1 96 ? -11.656 -1.723 -36.002 1.00 15.71 ? 116 ILE B N 1 ATOM 2838 C CA . ILE B 1 96 ? -12.361 -2.646 -35.133 1.00 16.67 ? 116 ILE B CA 1 ATOM 2839 C C . ILE B 1 96 ? -13.901 -2.332 -35.073 1.00 16.24 ? 116 ILE B C 1 ATOM 2840 O O . ILE B 1 96 ? -14.747 -3.242 -35.190 1.00 15.85 ? 116 ILE B O 1 ATOM 2841 C CB . ILE B 1 96 ? -11.730 -2.731 -33.731 1.00 17.51 ? 116 ILE B CB 1 ATOM 2842 C CG1 . ILE B 1 96 ? -10.387 -3.436 -33.816 1.00 18.03 ? 116 ILE B CG1 1 ATOM 2843 C CG2 . ILE B 1 96 ? -12.668 -3.425 -32.749 1.00 17.28 ? 116 ILE B CG2 1 ATOM 2844 C CD1 . ILE B 1 96 ? -9.507 -3.196 -32.617 1.00 18.83 ? 116 ILE B CD1 1 ATOM 2845 N N . LEU B 1 97 ? -14.232 -1.070 -34.848 1.00 15.25 ? 117 LEU B N 1 ATOM 2846 C CA . LEU B 1 97 ? -15.629 -0.673 -34.766 1.00 16.77 ? 117 LEU B CA 1 ATOM 2847 C C . LEU B 1 97 ? -16.409 -0.861 -36.096 1.00 17.27 ? 117 LEU B C 1 ATOM 2848 O O . LEU B 1 97 ? -17.631 -1.044 -36.078 1.00 19.29 ? 117 LEU B O 1 ATOM 2849 C CB . LEU B 1 97 ? -15.745 0.746 -34.214 1.00 16.19 ? 117 LEU B CB 1 ATOM 2850 C CG . LEU B 1 97 ? -15.288 0.934 -32.771 1.00 17.24 ? 117 LEU B CG 1 ATOM 2851 C CD1 . LEU B 1 97 ? -15.025 2.398 -32.456 1.00 16.49 ? 117 LEU B CD1 1 ATOM 2852 C CD2 . LEU B 1 97 ? -16.339 0.397 -31.787 1.00 17.64 ? 117 LEU B CD2 1 ATOM 2853 N N . LEU B 1 98 ? -15.735 -0.642 -37.208 1.00 19.86 ? 118 LEU B N 1 ATOM 2854 C CA . LEU B 1 98 ? -16.344 -0.800 -38.542 1.00 20.88 ? 118 LEU B CA 1 ATOM 2855 C C . LEU B 1 98 ? -16.526 -2.286 -38.899 1.00 25.20 ? 118 LEU B C 1 ATOM 2856 O O . LEU B 1 98 ? -17.513 -2.658 -39.513 1.00 25.36 ? 118 LEU B O 1 ATOM 2857 C CB . LEU B 1 98 ? -15.497 -0.100 -39.606 1.00 20.64 ? 118 LEU B CB 1 ATOM 2858 C CG . LEU B 1 98 ? -15.482 1.421 -39.547 1.00 18.78 ? 118 LEU B CG 1 ATOM 2859 C CD1 . LEU B 1 98 ? -14.416 1.950 -40.487 1.00 19.43 ? 118 LEU B CD1 1 ATOM 2860 C CD2 . LEU B 1 98 ? -16.824 2.037 -39.908 1.00 20.46 ? 118 LEU B CD2 1 ATOM 2861 N N . GLU B 1 99 ? -15.576 -3.124 -38.483 1.00 25.53 ? 119 GLU B N 1 ATOM 2862 C CA . GLU B 1 99 ? -15.570 -4.565 -38.839 1.00 28.33 ? 119 GLU B CA 1 ATOM 2863 C C . GLU B 1 99 ? -16.347 -5.381 -37.829 1.00 33.48 ? 119 GLU B C 1 ATOM 2864 O O . GLU B 1 99 ? -17.088 -6.273 -38.207 1.00 35.32 ? 119 GLU B O 1 ATOM 2865 C CB . GLU B 1 99 ? -14.151 -5.150 -38.970 1.00 26.52 ? 119 GLU B CB 1 ATOM 2866 C CG . GLU B 1 99 ? -13.307 -4.470 -40.070 1.00 29.06 ? 119 GLU B CG 1 ATOM 2867 C CD . GLU B 1 99 ? -13.502 -4.989 -41.506 0.50 31.08 ? 119 GLU B CD 1 ATOM 2868 O OE1 . GLU B 1 99 ? -13.978 -6.121 -41.710 0.50 29.31 ? 119 GLU B OE1 1 ATOM 2869 O OE2 . GLU B 1 99 ? -13.159 -4.247 -42.465 0.50 34.34 ? 119 GLU B OE2 1 ATOM 2870 N N . SER B 1 100 ? -16.199 -5.037 -36.546 1.00 33.59 ? 120 SER B N 1 ATOM 2871 C CA . SER B 1 100 ? -16.611 -5.927 -35.442 1.00 32.53 ? 120 SER B CA 1 ATOM 2872 C C . SER B 1 100 ? -17.216 -5.168 -34.286 1.00 29.56 ? 120 SER B C 1 ATOM 2873 O O . SER B 1 100 ? -16.825 -5.367 -33.141 1.00 29.75 ? 120 SER B O 1 ATOM 2874 C CB . SER B 1 100 ? -15.406 -6.742 -34.974 1.00 32.08 ? 120 SER B CB 1 ATOM 2875 O OG . SER B 1 100 ? -14.795 -7.387 -36.070 1.00 37.98 ? 120 SER B OG 1 ATOM 2876 N N . PRO B 1 101 ? -18.214 -4.300 -34.561 1.00 30.14 ? 121 PRO B N 1 ATOM 2877 C CA . PRO B 1 101 ? -18.849 -3.499 -33.472 1.00 31.59 ? 121 PRO B CA 1 ATOM 2878 C C . PRO B 1 101 ? -19.569 -4.324 -32.372 1.00 34.97 ? 121 PRO B C 1 ATOM 2879 O O . PRO B 1 101 ? -19.907 -3.785 -31.308 1.00 34.89 ? 121 PRO B O 1 ATOM 2880 C CB . PRO B 1 101 ? -19.898 -2.652 -34.232 1.00 29.97 ? 121 PRO B CB 1 ATOM 2881 C CG . PRO B 1 101 ? -20.220 -3.465 -35.428 1.00 30.45 ? 121 PRO B CG 1 ATOM 2882 C CD . PRO B 1 101 ? -18.937 -4.143 -35.844 1.00 29.18 ? 121 PRO B CD 1 ATOM 2883 N N . ASN B 1 102 ? -19.819 -5.605 -32.648 1.00 38.04 ? 122 ASN B N 1 ATOM 2884 C CA . ASN B 1 102 ? -20.357 -6.547 -31.640 1.00 40.81 ? 122 ASN B CA 1 ATOM 2885 C C . ASN B 1 102 ? -19.343 -7.612 -31.158 1.00 40.57 ? 122 ASN B C 1 ATOM 2886 O O . ASN B 1 102 ? -19.701 -8.523 -30.436 1.00 47.47 ? 122 ASN B O 1 ATOM 2887 C CB . ASN B 1 102 ? -21.605 -7.253 -32.196 1.00 44.92 ? 122 ASN B CB 1 ATOM 2888 C CG . ASN B 1 102 ? -22.709 -6.271 -32.631 1.00 47.28 ? 122 ASN B CG 1 ATOM 2889 O OD1 . ASN B 1 102 ? -23.251 -5.511 -31.822 1.00 50.07 ? 122 ASN B OD1 1 ATOM 2890 N ND2 . ASN B 1 102 ? -23.048 -6.297 -33.906 1.00 47.77 ? 122 ASN B ND2 1 ATOM 2891 N N . GLY B 1 103 ? -18.081 -7.503 -31.556 1.00 36.87 ? 123 GLY B N 1 ATOM 2892 C CA . GLY B 1 103 ? -17.023 -8.382 -31.033 1.00 31.53 ? 123 GLY B CA 1 ATOM 2893 C C . GLY B 1 103 ? -16.585 -7.919 -29.684 1.00 29.77 ? 123 GLY B C 1 ATOM 2894 O O . GLY B 1 103 ? -17.013 -6.843 -29.204 1.00 26.05 ? 123 GLY B O 1 ATOM 2895 N N . SER B 1 104 ? -15.727 -8.713 -29.035 1.00 30.04 ? 124 SER B N 1 ATOM 2896 C CA . SER B 1 104 ? -15.321 -8.388 -27.667 1.00 30.26 ? 124 SER B CA 1 ATOM 2897 C C . SER B 1 104 ? -14.429 -7.115 -27.604 1.00 30.05 ? 124 SER B C 1 ATOM 2898 O O . SER B 1 104 ? -14.350 -6.445 -26.572 1.00 30.25 ? 124 SER B O 1 ATOM 2899 C CB . SER B 1 104 ? -14.620 -9.565 -27.021 1.00 33.83 ? 124 SER B CB 1 ATOM 2900 O OG . SER B 1 104 ? -13.564 -9.972 -27.855 1.00 39.20 ? 124 SER B OG 1 ATOM 2901 N N . GLU B 1 105 ? -13.797 -6.784 -28.727 1.00 28.08 ? 125 GLU B N 1 ATOM 2902 C CA . GLU B 1 105 ? -12.908 -5.649 -28.791 1.00 26.97 ? 125 GLU B CA 1 ATOM 2903 C C . GLU B 1 105 ? -13.577 -4.277 -28.964 1.00 22.35 ? 125 GLU B C 1 ATOM 2904 O O . GLU B 1 105 ? -12.911 -3.260 -28.782 1.00 22.23 ? 125 GLU B O 1 ATOM 2905 C CB . GLU B 1 105 ? -11.812 -5.920 -29.850 1.00 32.19 ? 125 GLU B CB 1 ATOM 2906 C CG . GLU B 1 105 ? -10.695 -6.886 -29.374 1.00 33.40 ? 125 GLU B CG 1 ATOM 2907 C CD . GLU B 1 105 ? -9.858 -6.362 -28.216 0.50 35.28 ? 125 GLU B CD 1 ATOM 2908 O OE1 . GLU B 1 105 ? -9.265 -5.278 -28.394 0.50 36.62 ? 125 GLU B OE1 1 ATOM 2909 O OE2 . GLU B 1 105 ? -9.784 -7.025 -27.140 0.50 38.05 ? 125 GLU B OE2 1 ATOM 2910 N N . ALA B 1 106 ? -14.893 -4.244 -29.234 1.00 20.94 ? 126 ALA B N 1 ATOM 2911 C CA . ALA B 1 106 ? -15.588 -2.985 -29.542 1.00 19.32 ? 126 ALA B CA 1 ATOM 2912 C C . ALA B 1 106 ? -15.678 -1.962 -28.417 1.00 18.18 ? 126 ALA B C 1 ATOM 2913 O O . ALA B 1 106 ? -15.464 -0.766 -28.647 1.00 15.45 ? 126 ALA B O 1 ATOM 2914 C CB . ALA B 1 106 ? -16.967 -3.268 -30.051 1.00 19.47 ? 126 ALA B CB 1 ATOM 2915 N N . LEU B 1 107 ? -15.926 -2.446 -27.197 1.00 16.63 ? 127 LEU B N 1 ATOM 2916 C CA . LEU B 1 107 ? -15.960 -1.582 -26.011 1.00 16.83 ? 127 LEU B CA 1 ATOM 2917 C C . LEU B 1 107 ? -14.680 -0.770 -25.813 1.00 14.69 ? 127 LEU B C 1 ATOM 2918 O O . LEU B 1 107 ? -14.721 0.450 -25.736 1.00 15.68 ? 127 LEU B O 1 ATOM 2919 C CB . LEU B 1 107 ? -16.338 -2.397 -24.749 1.00 17.74 ? 127 LEU B CB 1 ATOM 2920 C CG . LEU B 1 107 ? -16.219 -1.694 -23.425 1.00 18.95 ? 127 LEU B CG 1 ATOM 2921 C CD1 . LEU B 1 107 ? -17.233 -0.610 -23.380 1.00 18.84 ? 127 LEU B CD1 1 ATOM 2922 C CD2 . LEU B 1 107 ? -16.422 -2.708 -22.281 1.00 22.99 ? 127 LEU B CD2 1 ATOM 2923 N N . ASN B 1 108 ? -13.546 -1.435 -25.718 1.00 14.19 ? 128 ASN B N 1 ATOM 2924 C CA . ASN B 1 108 ? -12.276 -0.711 -25.551 1.00 14.33 ? 128 ASN B CA 1 ATOM 2925 C C . ASN B 1 108 ? -11.970 0.134 -26.786 1.00 12.59 ? 128 ASN B C 1 ATOM 2926 O O . ASN B 1 108 ? -11.434 1.225 -26.651 1.00 10.77 ? 128 ASN B O 1 ATOM 2927 C CB . ASN B 1 108 ? -11.102 -1.639 -25.264 1.00 17.01 ? 128 ASN B CB 1 ATOM 2928 C CG . ASN B 1 108 ? -11.098 -2.143 -23.800 1.00 20.04 ? 128 ASN B CG 1 ATOM 2929 O OD1 . ASN B 1 108 ? -11.990 -1.838 -23.033 1.00 18.98 ? 128 ASN B OD1 1 ATOM 2930 N ND2 . ASN B 1 108 ? -10.035 -2.867 -23.419 1.00 24.76 ? 128 ASN B ND2 1 ATOM 2931 N N . ALA B 1 109 ? -12.272 -0.393 -27.961 1.00 11.72 ? 129 ALA B N 1 ATOM 2932 C CA . ALA B 1 109 ? -12.070 0.410 -29.199 1.00 11.94 ? 129 ALA B CA 1 ATOM 2933 C C . ALA B 1 109 ? -12.791 1.750 -29.154 1.00 11.63 ? 129 ALA B C 1 ATOM 2934 O O . ALA B 1 109 ? -12.173 2.777 -29.452 1.00 10.12 ? 129 ALA B O 1 ATOM 2935 C CB . ALA B 1 109 ? -12.456 -0.359 -30.452 1.00 13.10 ? 129 ALA B CB 1 ATOM 2936 N N . LEU B 1 110 ? -14.049 1.756 -28.688 1.00 11.86 ? 130 LEU B N 1 ATOM 2937 C CA . LEU B 1 110 ? -14.823 2.987 -28.595 1.00 11.40 ? 130 LEU B CA 1 ATOM 2938 C C . LEU B 1 110 ? -14.262 3.913 -27.511 1.00 11.90 ? 130 LEU B C 1 ATOM 2939 O O . LEU B 1 110 ? -14.133 5.128 -27.748 1.00 11.37 ? 130 LEU B O 1 ATOM 2940 C CB . LEU B 1 110 ? -16.301 2.680 -28.322 1.00 11.62 ? 130 LEU B CB 1 ATOM 2941 C CG . LEU B 1 110 ? -17.201 3.882 -28.143 1.00 12.40 ? 130 LEU B CG 1 ATOM 2942 C CD1 . LEU B 1 110 ? -17.078 4.862 -29.302 1.00 11.48 ? 130 LEU B CD1 1 ATOM 2943 C CD2 . LEU B 1 110 ? -18.654 3.440 -27.974 1.00 13.26 ? 130 LEU B CD2 1 ATOM 2944 N N . LYS B 1 111 ? -13.908 3.358 -26.342 1.00 10.70 ? 131 LYS B N 1 ATOM 2945 C CA . LYS B 1 111 ? -13.254 4.156 -25.301 1.00 11.31 ? 131 LYS B CA 1 ATOM 2946 C C . LYS B 1 111 ? -11.936 4.817 -25.776 1.00 10.03 ? 131 LYS B C 1 ATOM 2947 O O . LYS B 1 111 ? -11.657 5.987 -25.496 1.00 9.27 ? 131 LYS B O 1 ATOM 2948 C CB . LYS B 1 111 ? -13.040 3.318 -24.026 1.00 12.70 ? 131 LYS B CB 1 ATOM 2949 C CG . LYS B 1 111 ? -14.337 2.811 -23.441 1.00 13.79 ? 131 LYS B CG 1 ATOM 2950 C CD . LYS B 1 111 ? -14.167 2.349 -22.008 1.00 16.76 ? 131 LYS B CD 1 ATOM 2951 C CE . LYS B 1 111 ? -13.384 1.079 -21.898 1.00 20.03 ? 131 LYS B CE 1 ATOM 2952 N NZ . LYS B 1 111 ? -13.460 0.543 -20.488 1.00 24.72 ? 131 LYS B NZ 1 ATOM 2953 N N . PHE B 1 112 ? -11.150 4.072 -26.532 1.00 9.46 ? 132 PHE B N 1 ATOM 2954 C CA . PHE B 1 112 ? -9.894 4.609 -27.139 1.00 10.49 ? 132 PHE B CA 1 ATOM 2955 C C . PHE B 1 112 ? -10.188 5.748 -28.113 1.00 9.62 ? 132 PHE B C 1 ATOM 2956 O O . PHE B 1 112 ? -9.524 6.788 -28.099 1.00 9.27 ? 132 PHE B O 1 ATOM 2957 C CB . PHE B 1 112 ? -9.095 3.527 -27.869 1.00 10.73 ? 132 PHE B CB 1 ATOM 2958 C CG . PHE B 1 112 ? -8.130 2.730 -26.987 1.00 11.29 ? 132 PHE B CG 1 ATOM 2959 C CD1 . PHE B 1 112 ? -7.130 3.369 -26.273 1.00 12.06 ? 132 PHE B CD1 1 ATOM 2960 C CD2 . PHE B 1 112 ? -8.231 1.336 -26.891 1.00 12.10 ? 132 PHE B CD2 1 ATOM 2961 C CE1 . PHE B 1 112 ? -6.249 2.671 -25.459 1.00 12.28 ? 132 PHE B CE1 1 ATOM 2962 C CE2 . PHE B 1 112 ? -7.334 0.614 -26.092 1.00 13.02 ? 132 PHE B CE2 1 ATOM 2963 C CZ . PHE B 1 112 ? -6.320 1.298 -25.390 1.00 11.94 ? 132 PHE B CZ 1 ATOM 2964 N N . VAL B 1 113 ? -11.160 5.528 -29.014 1.00 9.49 ? 133 VAL B N 1 ATOM 2965 C CA . VAL B 1 113 ? -11.496 6.583 -30.007 1.00 9.69 ? 133 VAL B CA 1 ATOM 2966 C C . VAL B 1 113 ? -11.925 7.916 -29.311 1.00 9.34 ? 133 VAL B C 1 ATOM 2967 O O . VAL B 1 113 ? -11.468 9.034 -29.645 1.00 9.76 ? 133 VAL B O 1 ATOM 2968 C CB . VAL B 1 113 ? -12.542 6.057 -30.994 1.00 9.32 ? 133 VAL B CB 1 ATOM 2969 C CG1 . VAL B 1 113 ? -13.130 7.159 -31.855 1.00 9.84 ? 133 VAL B CG1 1 ATOM 2970 C CG2 . VAL B 1 113 ? -11.890 4.980 -31.867 1.00 9.89 ? 133 VAL B CG2 1 ATOM 2971 N N . VAL B 1 114 ? -12.817 7.809 -28.334 1.00 9.06 ? 134 VAL B N 1 ATOM 2972 C CA . VAL B 1 114 ? -13.306 8.967 -27.593 1.00 9.01 ? 134 VAL B CA 1 ATOM 2973 C C . VAL B 1 114 ? -12.168 9.739 -26.942 1.00 8.91 ? 134 VAL B C 1 ATOM 2974 O O . VAL B 1 114 ? -12.079 10.982 -27.051 1.00 9.17 ? 134 VAL B O 1 ATOM 2975 C CB . VAL B 1 114 ? -14.304 8.551 -26.525 1.00 9.93 ? 134 VAL B CB 1 ATOM 2976 C CG1 . VAL B 1 114 ? -14.630 9.723 -25.578 1.00 10.53 ? 134 VAL B CG1 1 ATOM 2977 C CG2 . VAL B 1 114 ? -15.564 8.045 -27.136 1.00 10.50 ? 134 VAL B CG2 1 ATOM 2978 N N . HIS B 1 115 ? -11.245 9.013 -26.291 1.00 8.18 ? 135 HIS B N 1 ATOM 2979 C CA . HIS B 1 115 ? -10.103 9.655 -25.654 1.00 7.79 ? 135 HIS B CA 1 ATOM 2980 C C . HIS B 1 115 ? -9.073 10.264 -26.611 1.00 8.15 ? 135 HIS B C 1 ATOM 2981 O O . HIS B 1 115 ? -8.671 11.414 -26.502 1.00 8.10 ? 135 HIS B O 1 ATOM 2982 C CB . HIS B 1 115 ? -9.403 8.630 -24.752 1.00 8.10 ? 135 HIS B CB 1 ATOM 2983 C CG . HIS B 1 115 ? -8.294 9.216 -23.965 1.00 7.31 ? 135 HIS B CG 1 ATOM 2984 N ND1 . HIS B 1 115 ? -8.468 9.727 -22.705 1.00 7.81 ? 135 HIS B ND1 1 ATOM 2985 C CD2 . HIS B 1 115 ? -6.991 9.368 -24.255 1.00 7.90 ? 135 HIS B CD2 1 ATOM 2986 C CE1 . HIS B 1 115 ? -7.310 10.208 -22.270 1.00 7.94 ? 135 HIS B CE1 1 ATOM 2987 N NE2 . HIS B 1 115 ? -6.400 10.019 -23.199 1.00 7.71 ? 135 HIS B NE2 1 ATOM 2988 N N . ILE B 1 116 ? -8.703 9.471 -27.599 1.00 8.51 ? 136 ILE B N 1 ATOM 2989 C CA . ILE B 1 116 ? -7.586 9.782 -28.458 1.00 10.16 ? 136 ILE B CA 1 ATOM 2990 C C . ILE B 1 116 ? -7.959 10.934 -29.419 1.00 8.99 ? 136 ILE B C 1 ATOM 2991 O O . ILE B 1 116 ? -7.122 11.754 -29.689 1.00 8.56 ? 136 ILE B O 1 ATOM 2992 C CB . ILE B 1 116 ? -7.064 8.542 -29.227 1.00 10.20 ? 136 ILE B CB 1 ATOM 2993 C CG1 . ILE B 1 116 ? -6.441 7.568 -28.219 1.00 11.19 ? 136 ILE B CG1 1 ATOM 2994 C CG2 . ILE B 1 116 ? -6.003 8.973 -30.234 1.00 11.69 ? 136 ILE B CG2 1 ATOM 2995 C CD1 . ILE B 1 116 ? -6.016 6.235 -28.775 1.00 12.17 ? 136 ILE B CD1 1 ATOM 2996 N N . ILE B 1 117 ? -9.217 11.029 -29.870 1.00 8.68 ? 137 ILE B N 1 ATOM 2997 C CA . ILE B 1 117 ? -9.579 12.200 -30.722 1.00 8.56 ? 137 ILE B CA 1 ATOM 2998 C C . ILE B 1 117 ? -9.362 13.459 -29.872 1.00 8.64 ? 137 ILE B C 1 ATOM 2999 O O . ILE B 1 117 ? -8.907 14.468 -30.357 1.00 9.18 ? 137 ILE B O 1 ATOM 3000 C CB . ILE B 1 117 ? -10.959 12.067 -31.422 1.00 8.95 ? 137 ILE B CB 1 ATOM 3001 C CG1 . ILE B 1 117 ? -10.851 10.935 -32.460 1.00 9.73 ? 137 ILE B CG1 1 ATOM 3002 C CG2 . ILE B 1 117 ? -11.369 13.364 -32.114 1.00 9.63 ? 137 ILE B CG2 1 ATOM 3003 C CD1 . ILE B 1 117 ? -12.096 10.626 -33.257 1.00 9.93 ? 137 ILE B CD1 1 ATOM 3004 N N . GLY B 1 118 ? -9.686 13.382 -28.581 1.00 9.11 ? 138 GLY B N 1 ATOM 3005 C CA . GLY B 1 118 ? -9.391 14.486 -27.682 1.00 9.17 ? 138 GLY B CA 1 ATOM 3006 C C . GLY B 1 118 ? -7.888 14.815 -27.636 1.00 8.69 ? 138 GLY B C 1 ATOM 3007 O O . GLY B 1 118 ? -7.481 15.977 -27.844 1.00 8.84 ? 138 GLY B O 1 ATOM 3008 N N . ASP B 1 119 ? -7.068 13.819 -27.430 1.00 8.43 ? 139 ASP B N 1 ATOM 3009 C CA . ASP B 1 119 ? -5.639 14.066 -27.319 1.00 8.01 ? 139 ASP B CA 1 ATOM 3010 C C . ASP B 1 119 ? -5.006 14.644 -28.565 1.00 8.30 ? 139 ASP B C 1 ATOM 3011 O O . ASP B 1 119 ? -4.091 15.436 -28.447 1.00 7.74 ? 139 ASP B O 1 ATOM 3012 C CB . ASP B 1 119 ? -4.828 12.776 -26.942 1.00 7.80 ? 139 ASP B CB 1 ATOM 3013 C CG . ASP B 1 119 ? -4.824 12.503 -25.436 1.00 7.58 ? 139 ASP B CG 1 ATOM 3014 O OD1 . ASP B 1 119 ? -5.052 13.488 -24.642 1.00 7.15 ? 139 ASP B OD1 1 ATOM 3015 O OD2 . ASP B 1 119 ? -4.463 11.356 -25.033 1.00 6.89 ? 139 ASP B OD2 1 ATOM 3016 N N . ILE B 1 120 ? -5.481 14.235 -29.734 1.00 9.02 ? 140 ILE B N 1 ATOM 3017 C CA . ILE B 1 120 ? -4.937 14.705 -31.010 1.00 9.74 ? 140 ILE B CA 1 ATOM 3018 C C . ILE B 1 120 ? -5.062 16.234 -31.026 1.00 9.79 ? 140 ILE B C 1 ATOM 3019 O O . ILE B 1 120 ? -4.258 16.906 -31.667 1.00 9.25 ? 140 ILE B O 1 ATOM 3020 C CB . ILE B 1 120 ? -5.618 13.979 -32.178 1.00 10.20 ? 140 ILE B CB 1 ATOM 3021 C CG1 . ILE B 1 120 ? -5.088 12.569 -32.271 1.00 9.90 ? 140 ILE B CG1 1 ATOM 3022 C CG2 . ILE B 1 120 ? -5.402 14.731 -33.485 1.00 12.05 ? 140 ILE B CG2 1 ATOM 3023 C CD1 . ILE B 1 120 ? -5.911 11.640 -33.229 1.00 9.28 ? 140 ILE B CD1 1 ATOM 3024 N N . HIS B 1 121 ? -6.086 16.787 -30.373 1.00 9.38 ? 141 HIS B N 1 ATOM 3025 C CA . HIS B 1 121 ? -6.344 18.219 -30.356 1.00 9.13 ? 141 HIS B CA 1 ATOM 3026 C C . HIS B 1 121 ? -5.601 19.038 -29.310 1.00 9.18 ? 141 HIS B C 1 ATOM 3027 O O . HIS B 1 121 ? -5.684 20.259 -29.334 1.00 9.00 ? 141 HIS B O 1 ATOM 3028 C CB . HIS B 1 121 ? -7.872 18.491 -30.329 1.00 9.15 ? 141 HIS B CB 1 ATOM 3029 C CG . HIS B 1 121 ? -8.518 18.147 -31.616 1.00 9.33 ? 141 HIS B CG 1 ATOM 3030 N ND1 . HIS B 1 121 ? -8.865 16.857 -31.953 1.00 10.67 ? 141 HIS B ND1 1 ATOM 3031 C CD2 . HIS B 1 121 ? -8.783 18.904 -32.712 1.00 10.71 ? 141 HIS B CD2 1 ATOM 3032 C CE1 . HIS B 1 121 ? -9.374 16.840 -33.182 1.00 9.99 ? 141 HIS B CE1 1 ATOM 3033 N NE2 . HIS B 1 121 ? -9.309 18.060 -33.667 1.00 10.20 ? 141 HIS B NE2 1 ATOM 3034 N N . GLN B 1 122 ? -4.816 18.373 -28.453 1.00 9.49 ? 142 GLN B N 1 ATOM 3035 C CA . GLN B 1 122 ? -3.903 19.069 -27.535 1.00 10.14 ? 142 GLN B CA 1 ATOM 3036 C C . GLN B 1 122 ? -2.594 19.257 -28.301 1.00 10.05 ? 142 GLN B C 1 ATOM 3037 O O . GLN B 1 122 ? -1.965 18.270 -28.628 1.00 10.63 ? 142 GLN B O 1 ATOM 3038 C CB . GLN B 1 122 ? -3.733 18.210 -26.256 1.00 10.70 ? 142 GLN B CB 1 ATOM 3039 C CG . GLN B 1 122 ? -3.389 19.027 -25.014 1.00 10.17 ? 142 GLN B CG 1 ATOM 3040 C CD . GLN B 1 122 ? -1.942 19.522 -24.956 1.00 10.92 ? 142 GLN B CD 1 ATOM 3041 O OE1 . GLN B 1 122 ? -1.451 20.255 -25.835 1.00 11.00 ? 142 GLN B OE1 1 ATOM 3042 N NE2 . GLN B 1 122 ? -1.229 19.102 -23.869 1.00 10.08 ? 142 GLN B NE2 1 ATOM 3043 N N . PRO B 1 123 ? -2.224 20.505 -28.675 1.00 10.48 ? 143 PRO B N 1 ATOM 3044 C CA . PRO B 1 123 ? -1.111 20.717 -29.609 1.00 9.63 ? 143 PRO B CA 1 ATOM 3045 C C . PRO B 1 123 ? 0.178 20.037 -29.167 1.00 9.38 ? 143 PRO B C 1 ATOM 3046 O O . PRO B 1 123 ? 0.896 19.509 -30.012 1.00 10.29 ? 143 PRO B O 1 ATOM 3047 C CB . PRO B 1 123 ? -0.915 22.221 -29.589 1.00 10.28 ? 143 PRO B CB 1 ATOM 3048 C CG . PRO B 1 123 ? -2.232 22.785 -29.245 1.00 11.09 ? 143 PRO B CG 1 ATOM 3049 C CD . PRO B 1 123 ? -2.839 21.804 -28.275 1.00 10.85 ? 143 PRO B CD 1 ATOM 3050 N N . LEU B 1 124 ? 0.432 19.972 -27.856 1.00 9.08 ? 144 LEU B N 1 ATOM 3051 C CA . LEU B 1 124 ? 1.659 19.303 -27.378 1.00 9.35 ? 144 LEU B CA 1 ATOM 3052 C C . LEU B 1 124 ? 1.629 17.755 -27.408 1.00 9.99 ? 144 LEU B C 1 ATOM 3053 O O . LEU B 1 124 ? 2.707 17.132 -27.270 1.00 11.12 ? 144 LEU B O 1 ATOM 3054 C CB . LEU B 1 124 ? 2.072 19.809 -26.028 1.00 8.83 ? 144 LEU B CB 1 ATOM 3055 C CG . LEU B 1 124 ? 2.634 21.212 -26.031 1.00 9.50 ? 144 LEU B CG 1 ATOM 3056 C CD1 . LEU B 1 124 ? 2.725 21.737 -24.592 1.00 9.46 ? 144 LEU B CD1 1 ATOM 3057 C CD2 . LEU B 1 124 ? 3.971 21.319 -26.765 1.00 10.06 ? 144 LEU B CD2 1 ATOM 3058 N N . HIS B 1 125 ? 0.446 17.145 -27.660 1.00 9.42 ? 145 HIS B N 1 ATOM 3059 C CA . HIS B 1 125 ? 0.345 15.735 -28.053 1.00 8.37 ? 145 HIS B CA 1 ATOM 3060 C C . HIS B 1 125 ? 0.715 15.522 -29.532 1.00 8.46 ? 145 HIS B C 1 ATOM 3061 O O . HIS B 1 125 ? 0.669 14.377 -30.037 1.00 8.05 ? 145 HIS B O 1 ATOM 3062 C CB . HIS B 1 125 ? -1.059 15.229 -27.756 1.00 8.96 ? 145 HIS B CB 1 ATOM 3063 C CG . HIS B 1 125 ? -1.264 14.897 -26.313 1.00 8.04 ? 145 HIS B CG 1 ATOM 3064 N ND1 . HIS B 1 125 ? -1.515 13.620 -25.875 1.00 8.09 ? 145 HIS B ND1 1 ATOM 3065 C CD2 . HIS B 1 125 ? -1.256 15.686 -25.202 1.00 8.38 ? 145 HIS B CD2 1 ATOM 3066 C CE1 . HIS B 1 125 ? -1.609 13.611 -24.558 1.00 8.10 ? 145 HIS B CE1 1 ATOM 3067 N NE2 . HIS B 1 125 ? -1.450 14.861 -24.128 1.00 8.17 ? 145 HIS B NE2 1 ATOM 3068 N N . ASP B 1 126 ? 1.026 16.590 -30.245 1.00 8.51 ? 146 ASP B N 1 ATOM 3069 C CA . ASP B 1 126 ? 1.501 16.485 -31.640 1.00 9.30 ? 146 ASP B CA 1 ATOM 3070 C C . ASP B 1 126 ? 2.845 17.164 -31.799 1.00 9.39 ? 146 ASP B C 1 ATOM 3071 O O . ASP B 1 126 ? 3.079 17.840 -32.808 1.00 10.41 ? 146 ASP B O 1 ATOM 3072 C CB . ASP B 1 126 ? 0.521 17.133 -32.610 1.00 9.91 ? 146 ASP B CB 1 ATOM 3073 C CG . ASP B 1 126 ? -0.899 16.675 -32.423 1.00 10.63 ? 146 ASP B CG 1 ATOM 3074 O OD1 . ASP B 1 126 ? -1.214 15.541 -32.786 1.00 12.48 ? 146 ASP B OD1 1 ATOM 3075 O OD2 . ASP B 1 126 ? -1.702 17.486 -31.924 1.00 11.90 ? 146 ASP B OD2 1 ATOM 3076 N N . GLU B 1 127 ? 3.747 16.902 -30.868 1.00 9.27 ? 147 GLU B N 1 ATOM 3077 C CA . GLU B 1 127 ? 5.064 17.534 -30.853 1.00 9.73 ? 147 GLU B CA 1 ATOM 3078 C C . GLU B 1 127 ? 6.083 16.707 -30.087 1.00 9.93 ? 147 GLU B C 1 ATOM 3079 O O . GLU B 1 127 ? 5.879 16.342 -28.954 1.00 9.20 ? 147 GLU B O 1 ATOM 3080 C CB . GLU B 1 127 ? 4.927 18.928 -30.225 1.00 11.32 ? 147 GLU B CB 1 ATOM 3081 C CG . GLU B 1 127 ? 6.236 19.708 -30.052 1.00 12.28 ? 147 GLU B CG 1 ATOM 3082 C CD . GLU B 1 127 ? 7.015 19.837 -31.345 1.00 11.81 ? 147 GLU B CD 1 ATOM 3083 O OE1 . GLU B 1 127 ? 6.365 20.239 -32.356 1.00 12.83 ? 147 GLU B OE1 1 ATOM 3084 O OE2 . GLU B 1 127 ? 8.270 19.488 -31.358 1.00 11.68 ? 147 GLU B OE2 1 ATOM 3085 N N . ASN B 1 128 ? 7.222 16.473 -30.692 1.00 10.92 ? 148 ASN B N 1 ATOM 3086 C CA . ASN B 1 128 ? 8.300 15.690 -30.075 1.00 12.19 ? 148 ASN B CA 1 ATOM 3087 C C . ASN B 1 128 ? 9.085 16.459 -29.025 1.00 12.55 ? 148 ASN B C 1 ATOM 3088 O O . ASN B 1 128 ? 9.476 15.860 -28.018 1.00 14.24 ? 148 ASN B O 1 ATOM 3089 C CB . ASN B 1 128 ? 9.295 15.217 -31.133 1.00 12.47 ? 148 ASN B CB 1 ATOM 3090 C CG . ASN B 1 128 ? 10.297 14.226 -30.572 1.00 12.70 ? 148 ASN B CG 1 ATOM 3091 O OD1 . ASN B 1 128 ? 9.914 13.229 -30.023 1.00 14.70 ? 148 ASN B OD1 1 ATOM 3092 N ND2 . ASN B 1 128 ? 11.570 14.532 -30.701 1.00 12.71 ? 148 ASN B ND2 1 ATOM 3093 N N . LEU B 1 129 ? 9.318 17.742 -29.264 1.00 12.53 ? 149 LEU B N 1 ATOM 3094 C CA . LEU B 1 129 ? 10.216 18.579 -28.420 1.00 12.66 ? 149 LEU B CA 1 ATOM 3095 C C . LEU B 1 129 ? 10.050 18.373 -26.931 1.00 13.17 ? 149 LEU B C 1 ATOM 3096 O O . LEU B 1 129 ? 8.918 18.553 -26.404 1.00 11.71 ? 149 LEU B O 1 ATOM 3097 C CB . LEU B 1 129 ? 10.039 20.036 -28.712 1.00 12.75 ? 149 LEU B CB 1 ATOM 3098 C CG . LEU B 1 129 ? 10.943 20.945 -27.881 1.00 15.57 ? 149 LEU B CG 1 ATOM 3099 C CD1 . LEU B 1 129 ? 12.420 20.751 -28.259 1.00 17.89 ? 149 LEU B CD1 1 ATOM 3100 C CD2 . LEU B 1 129 ? 10.612 22.420 -27.962 1.00 16.94 ? 149 LEU B CD2 1 ATOM 3101 N N . GLU B 1 130 ? 11.144 17.939 -26.263 1.00 13.06 ? 150 GLU B N 1 ATOM 3102 C CA . GLU B 1 130 ? 11.144 17.713 -24.797 1.00 15.10 ? 150 GLU B CA 1 ATOM 3103 C C . GLU B 1 130 ? 9.964 16.873 -24.336 1.00 14.36 ? 150 GLU B C 1 ATOM 3104 O O . GLU B 1 130 ? 9.270 17.182 -23.367 1.00 13.33 ? 150 GLU B O 1 ATOM 3105 C CB . GLU B 1 130 ? 11.113 19.055 -24.106 1.00 17.42 ? 150 GLU B CB 1 ATOM 3106 C CG . GLU B 1 130 ? 12.321 19.915 -24.426 1.00 19.75 ? 150 GLU B CG 1 ATOM 3107 C CD . GLU B 1 130 ? 13.368 19.811 -23.362 1.00 24.08 ? 150 GLU B CD 1 ATOM 3108 O OE1 . GLU B 1 130 ? 14.151 20.731 -23.241 1.00 31.53 ? 150 GLU B OE1 1 ATOM 3109 O OE2 . GLU B 1 130 ? 13.399 18.814 -22.624 1.00 25.91 ? 150 GLU B OE2 1 ATOM 3110 N N . ALA B 1 131 ? 9.746 15.766 -25.025 1.00 13.15 ? 151 ALA B N 1 ATOM 3111 C CA . ALA B 1 131 ? 8.597 14.896 -24.786 1.00 13.39 ? 151 ALA B CA 1 ATOM 3112 C C . ALA B 1 131 ? 7.227 15.630 -24.670 1.00 12.52 ? 151 ALA B C 1 ATOM 3113 O O . ALA B 1 131 ? 6.543 15.521 -23.672 1.00 12.22 ? 151 ALA B O 1 ATOM 3114 C CB . ALA B 1 131 ? 8.835 14.051 -23.566 1.00 13.89 ? 151 ALA B CB 1 ATOM 3115 N N . GLY B 1 132 ? 6.876 16.312 -25.751 1.00 12.24 ? 152 GLY B N 1 ATOM 3116 C CA . GLY B 1 132 ? 5.683 17.123 -25.836 1.00 11.58 ? 152 GLY B CA 1 ATOM 3117 C C . GLY B 1 132 ? 5.671 18.205 -24.780 1.00 11.23 ? 152 GLY B C 1 ATOM 3118 O O . GLY B 1 132 ? 4.601 18.549 -24.252 1.00 10.77 ? 152 GLY B O 1 ATOM 3119 N N . GLY B 1 133 ? 6.837 18.724 -24.486 1.00 9.69 ? 153 GLY B N 1 ATOM 3120 C CA . GLY B 1 133 ? 6.985 19.770 -23.486 1.00 10.55 ? 153 GLY B CA 1 ATOM 3121 C C . GLY B 1 133 ? 6.920 19.326 -22.034 1.00 11.87 ? 153 GLY B C 1 ATOM 3122 O O . GLY B 1 133 ? 6.996 20.171 -21.145 1.00 12.27 ? 153 GLY B O 1 ATOM 3123 N N . ASN B 1 134 ? 6.826 18.020 -21.764 1.00 12.45 ? 154 ASN B N 1 ATOM 3124 C CA . ASN B 1 134 ? 6.958 17.487 -20.398 1.00 13.74 ? 154 ASN B CA 1 ATOM 3125 C C . ASN B 1 134 ? 8.305 17.870 -19.741 1.00 14.67 ? 154 ASN B C 1 ATOM 3126 O O . ASN B 1 134 ? 8.374 18.100 -18.529 1.00 14.14 ? 154 ASN B O 1 ATOM 3127 C CB . ASN B 1 134 ? 6.764 15.980 -20.386 1.00 14.43 ? 154 ASN B CB 1 ATOM 3128 C CG . ASN B 1 134 ? 5.303 15.601 -20.343 1.00 15.83 ? 154 ASN B CG 1 ATOM 3129 O OD1 . ASN B 1 134 ? 4.621 15.819 -19.348 1.00 17.27 ? 154 ASN B OD1 1 ATOM 3130 N ND2 . ASN B 1 134 ? 4.810 15.000 -21.412 1.00 15.46 ? 154 ASN B ND2 1 ATOM 3131 N N . GLY B 1 135 ? 9.353 18.015 -20.559 1.00 12.01 ? 155 GLY B N 1 ATOM 3132 C CA . GLY B 1 135 ? 10.659 18.335 -20.083 1.00 12.40 ? 155 GLY B CA 1 ATOM 3133 C C . GLY B 1 135 ? 10.908 19.814 -19.891 1.00 13.70 ? 155 GLY B C 1 ATOM 3134 O O . GLY B 1 135 ? 12.007 20.207 -19.550 1.00 14.43 ? 155 GLY B O 1 ATOM 3135 N N . ILE B 1 136 ? 9.932 20.664 -20.197 1.00 14.62 ? 156 ILE B N 1 ATOM 3136 C CA . ILE B 1 136 ? 10.098 22.137 -20.092 1.00 15.30 ? 156 ILE B CA 1 ATOM 3137 C C . ILE B 1 136 ? 9.484 22.586 -18.768 1.00 15.98 ? 156 ILE B C 1 ATOM 3138 O O . ILE B 1 136 ? 8.237 22.661 -18.663 1.00 14.88 ? 156 ILE B O 1 ATOM 3139 C CB . ILE B 1 136 ? 9.436 22.855 -21.279 1.00 16.74 ? 156 ILE B CB 1 ATOM 3140 C CG1 . ILE B 1 136 ? 10.070 22.384 -22.609 1.00 17.84 ? 156 ILE B CG1 1 ATOM 3141 C CG2 . ILE B 1 136 ? 9.592 24.362 -21.143 1.00 17.77 ? 156 ILE B CG2 1 ATOM 3142 C CD1 . ILE B 1 136 ? 9.453 22.960 -23.858 1.00 18.80 ? 156 ILE B CD1 1 ATOM 3143 N N . ASP B 1 137 ? 10.313 22.898 -17.769 1.00 14.19 ? 157 ASP B N 1 ATOM 3144 C CA . ASP B 1 137 ? 9.811 23.327 -16.461 1.00 15.80 ? 157 ASP B CA 1 ATOM 3145 C C . ASP B 1 137 ? 9.348 24.757 -16.538 1.00 14.83 ? 157 ASP B C 1 ATOM 3146 O O . ASP B 1 137 ? 9.983 25.578 -17.209 1.00 15.22 ? 157 ASP B O 1 ATOM 3147 C CB . ASP B 1 137 ? 10.845 23.272 -15.347 1.00 18.98 ? 157 ASP B CB 1 ATOM 3148 C CG . ASP B 1 137 ? 11.262 21.919 -14.974 0.50 19.15 ? 157 ASP B CG 1 ATOM 3149 O OD1 . ASP B 1 137 ? 10.515 20.920 -15.145 0.50 19.12 ? 157 ASP B OD1 1 ATOM 3150 O OD2 . ASP B 1 137 ? 12.363 21.928 -14.426 0.50 20.60 ? 157 ASP B OD2 1 ATOM 3151 N N . VAL B 1 138 ? 8.159 25.002 -15.990 1.00 12.48 ? 158 VAL B N 1 ATOM 3152 C CA . VAL B 1 138 ? 7.574 26.343 -15.984 1.00 13.20 ? 158 VAL B CA 1 ATOM 3153 C C . VAL B 1 138 ? 7.057 26.709 -14.605 1.00 13.00 ? 158 VAL B C 1 ATOM 3154 O O . VAL B 1 138 ? 6.896 25.839 -13.765 1.00 14.47 ? 158 VAL B O 1 ATOM 3155 C CB . VAL B 1 138 ? 6.456 26.490 -17.051 1.00 12.74 ? 158 VAL B CB 1 ATOM 3156 C CG1 . VAL B 1 138 ? 6.969 26.128 -18.450 1.00 13.48 ? 158 VAL B CG1 1 ATOM 3157 C CG2 . VAL B 1 138 ? 5.214 25.706 -16.663 1.00 13.65 ? 158 VAL B CG2 1 ATOM 3158 N N . THR B 1 139 ? 6.821 28.005 -14.393 1.00 12.43 ? 159 THR B N 1 ATOM 3159 C CA . THR B 1 139 ? 6.071 28.523 -13.257 1.00 12.41 ? 159 THR B CA 1 ATOM 3160 C C . THR B 1 139 ? 4.660 28.859 -13.687 1.00 10.88 ? 159 THR B C 1 ATOM 3161 O O . THR B 1 139 ? 4.455 29.506 -14.717 1.00 12.08 ? 159 THR B O 1 ATOM 3162 C CB . THR B 1 139 ? 6.800 29.751 -12.679 1.00 12.61 ? 159 THR B CB 1 ATOM 3163 O OG1 . THR B 1 139 ? 8.138 29.370 -12.326 1.00 16.06 ? 159 THR B OG1 1 ATOM 3164 C CG2 . THR B 1 139 ? 6.079 30.310 -11.493 1.00 14.23 ? 159 THR B CG2 1 ATOM 3165 N N . TYR B 1 140 ? 3.676 28.363 -12.951 1.00 10.69 ? 160 TYR B N 1 ATOM 3166 C CA . TYR B 1 140 ? 2.314 28.652 -13.228 1.00 11.20 ? 160 TYR B CA 1 ATOM 3167 C C . TYR B 1 140 ? 1.640 29.038 -11.933 1.00 13.30 ? 160 TYR B C 1 ATOM 3168 O O . TYR B 1 140 ? 1.463 28.229 -11.016 1.00 13.67 ? 160 TYR B O 1 ATOM 3169 C CB . TYR B 1 140 ? 1.568 27.453 -13.873 1.00 11.46 ? 160 TYR B CB 1 ATOM 3170 C CG . TYR B 1 140 ? 0.272 27.901 -14.506 1.00 12.23 ? 160 TYR B CG 1 ATOM 3171 C CD1 . TYR B 1 140 ? 0.266 28.411 -15.801 1.00 12.63 ? 160 TYR B CD1 1 ATOM 3172 C CD2 . TYR B 1 140 ? -0.922 27.881 -13.801 1.00 11.75 ? 160 TYR B CD2 1 ATOM 3173 C CE1 . TYR B 1 140 ? -0.932 28.885 -16.377 1.00 13.71 ? 160 TYR B CE1 1 ATOM 3174 C CE2 . TYR B 1 140 ? -2.109 28.350 -14.364 1.00 14.12 ? 160 TYR B CE2 1 ATOM 3175 C CZ . TYR B 1 140 ? -2.109 28.846 -15.678 1.00 14.16 ? 160 TYR B CZ 1 ATOM 3176 O OH . TYR B 1 140 ? -3.312 29.305 -16.212 1.00 14.12 ? 160 TYR B OH 1 ATOM 3177 N N . ASP B 1 141 ? 1.206 30.284 -11.888 1.00 16.14 ? 161 ASP B N 1 ATOM 3178 C CA . ASP B 1 141 ? 0.577 30.894 -10.713 1.00 16.66 ? 161 ASP B CA 1 ATOM 3179 C C . ASP B 1 141 ? 1.352 30.586 -9.410 1.00 16.28 ? 161 ASP B C 1 ATOM 3180 O O . ASP B 1 141 ? 0.799 30.152 -8.424 1.00 15.50 ? 161 ASP B O 1 ATOM 3181 C CB . ASP B 1 141 ? -0.890 30.588 -10.588 1.00 17.33 ? 161 ASP B CB 1 ATOM 3182 C CG . ASP B 1 141 ? -1.597 31.678 -9.770 1.00 18.36 ? 161 ASP B CG 1 ATOM 3183 O OD1 . ASP B 1 141 ? -1.159 32.866 -9.868 1.00 16.98 ? 161 ASP B OD1 1 ATOM 3184 O OD2 . ASP B 1 141 ? -2.508 31.320 -8.997 1.00 20.85 ? 161 ASP B OD2 1 ATOM 3185 N N . GLY B 1 142 ? 2.654 30.800 -9.523 1.00 16.58 ? 162 GLY B N 1 ATOM 3186 C CA . GLY B 1 142 ? 3.570 30.765 -8.387 1.00 18.98 ? 162 GLY B CA 1 ATOM 3187 C C . GLY B 1 142 ? 4.114 29.400 -8.056 1.00 20.49 ? 162 GLY B C 1 ATOM 3188 O O . GLY B 1 142 ? 4.964 29.300 -7.162 1.00 27.01 ? 162 GLY B O 1 ATOM 3189 N N . GLU B 1 143 ? 3.646 28.352 -8.731 1.00 18.25 ? 163 GLU B N 1 ATOM 3190 C CA . GLU B 1 143 ? 4.137 27.015 -8.508 1.00 19.78 ? 163 GLU B CA 1 ATOM 3191 C C . GLU B 1 143 ? 4.873 26.429 -9.743 1.00 19.22 ? 163 GLU B C 1 ATOM 3192 O O . GLU B 1 143 ? 4.593 26.829 -10.873 1.00 16.14 ? 163 GLU B O 1 ATOM 3193 C CB . GLU B 1 143 ? 2.972 26.120 -8.113 1.00 23.54 ? 163 GLU B CB 1 ATOM 3194 C CG . GLU B 1 143 ? 2.198 26.556 -6.845 1.00 27.79 ? 163 GLU B CG 1 ATOM 3195 C CD . GLU B 1 143 ? 3.017 26.644 -5.562 0.50 30.64 ? 163 GLU B CD 1 ATOM 3196 O OE1 . GLU B 1 143 ? 2.595 27.406 -4.657 0.50 36.81 ? 163 GLU B OE1 1 ATOM 3197 O OE2 . GLU B 1 143 ? 4.064 25.976 -5.421 0.50 31.84 ? 163 GLU B OE2 1 ATOM 3198 N N . THR B 1 144 ? 5.798 25.491 -9.488 1.00 15.16 ? 164 THR B N 1 ATOM 3199 C CA . THR B 1 144 ? 6.555 24.818 -10.518 1.00 14.56 ? 164 THR B CA 1 ATOM 3200 C C . THR B 1 144 ? 5.695 23.693 -11.113 1.00 13.17 ? 164 THR B C 1 ATOM 3201 O O . THR B 1 144 ? 5.046 22.933 -10.411 1.00 13.71 ? 164 THR B O 1 ATOM 3202 C CB . THR B 1 144 ? 7.904 24.249 -9.963 1.00 17.08 ? 164 THR B CB 1 ATOM 3203 O OG1 . THR B 1 144 ? 8.619 25.314 -9.377 1.00 19.03 ? 164 THR B OG1 1 ATOM 3204 C CG2 . THR B 1 144 ? 8.785 23.724 -11.095 1.00 18.91 ? 164 THR B CG2 1 ATOM 3205 N N . THR B 1 145 ? 5.751 23.589 -12.437 1.00 12.23 ? 165 THR B N 1 ATOM 3206 C CA . THR B 1 145 ? 5.126 22.488 -13.132 1.00 10.95 ? 165 THR B CA 1 ATOM 3207 C C . THR B 1 145 ? 5.883 22.332 -14.430 1.00 10.81 ? 165 THR B C 1 ATOM 3208 O O . THR B 1 145 ? 7.027 22.736 -14.542 1.00 9.85 ? 165 THR B O 1 ATOM 3209 C CB . THR B 1 145 ? 3.592 22.735 -13.220 1.00 11.67 ? 165 THR B CB 1 ATOM 3210 O OG1 . THR B 1 145 ? 2.958 21.632 -13.873 1.00 11.33 ? 165 THR B OG1 1 ATOM 3211 C CG2 . THR B 1 145 ? 3.278 24.017 -13.958 1.00 12.24 ? 165 THR B CG2 1 ATOM 3212 N N . ASN B 1 146 ? 5.244 21.830 -15.470 1.00 10.80 ? 166 ASN B N 1 ATOM 3213 C CA . ASN B 1 146 ? 5.856 21.797 -16.789 1.00 10.66 ? 166 ASN B CA 1 ATOM 3214 C C . ASN B 1 146 ? 4.857 22.260 -17.866 1.00 10.03 ? 166 ASN B C 1 ATOM 3215 O O . ASN B 1 146 ? 3.673 22.329 -17.629 1.00 9.94 ? 166 ASN B O 1 ATOM 3216 C CB . ASN B 1 146 ? 6.438 20.413 -17.080 1.00 11.98 ? 166 ASN B CB 1 ATOM 3217 C CG . ASN B 1 146 ? 5.363 19.340 -17.241 1.00 13.39 ? 166 ASN B CG 1 ATOM 3218 O OD1 . ASN B 1 146 ? 4.618 19.320 -18.250 1.00 13.49 ? 166 ASN B OD1 1 ATOM 3219 N ND2 . ASN B 1 146 ? 5.242 18.491 -16.259 1.00 13.11 ? 166 ASN B ND2 1 ATOM 3220 N N . LEU B 1 147 ? 5.362 22.538 -19.045 1.00 10.20 ? 167 LEU B N 1 ATOM 3221 C CA . LEU B 1 147 ? 4.585 23.152 -20.102 1.00 10.14 ? 167 LEU B CA 1 ATOM 3222 C C . LEU B 1 147 ? 3.451 22.244 -20.542 1.00 9.28 ? 167 LEU B C 1 ATOM 3223 O O . LEU B 1 147 ? 2.345 22.696 -20.839 1.00 8.29 ? 167 LEU B O 1 ATOM 3224 C CB . LEU B 1 147 ? 5.489 23.531 -21.292 1.00 10.71 ? 167 LEU B CB 1 ATOM 3225 C CG . LEU B 1 147 ? 4.801 24.374 -22.393 1.00 10.23 ? 167 LEU B CG 1 ATOM 3226 C CD1 . LEU B 1 147 ? 4.337 25.724 -21.887 1.00 10.57 ? 167 LEU B CD1 1 ATOM 3227 C CD2 . LEU B 1 147 ? 5.734 24.593 -23.596 1.00 11.45 ? 167 LEU B CD2 1 ATOM 3228 N N . HIS B 1 148 ? 3.757 20.962 -20.643 1.00 9.08 ? 168 HIS B N 1 ATOM 3229 C CA . HIS B 1 148 ? 2.746 19.951 -21.047 1.00 10.03 ? 168 HIS B CA 1 ATOM 3230 C C . HIS B 1 148 ? 1.571 19.967 -20.099 1.00 9.91 ? 168 HIS B C 1 ATOM 3231 O O . HIS B 1 148 ? 0.395 20.010 -20.489 1.00 11.19 ? 168 HIS B O 1 ATOM 3232 C CB . HIS B 1 148 ? 3.355 18.570 -21.141 1.00 10.86 ? 168 HIS B CB 1 ATOM 3233 C CG . HIS B 1 148 ? 2.447 17.577 -21.789 1.00 11.33 ? 168 HIS B CG 1 ATOM 3234 N ND1 . HIS B 1 148 ? 2.529 17.252 -23.127 1.00 11.47 ? 168 HIS B ND1 1 ATOM 3235 C CD2 . HIS B 1 148 ? 1.363 16.919 -21.298 1.00 12.60 ? 168 HIS B CD2 1 ATOM 3236 C CE1 . HIS B 1 148 ? 1.539 16.407 -23.427 1.00 12.02 ? 168 HIS B CE1 1 ATOM 3237 N NE2 . HIS B 1 148 ? 0.837 16.167 -22.321 1.00 11.61 ? 168 HIS B NE2 1 ATOM 3238 N N . HIS B 1 149 ? 1.915 19.988 -18.816 1.00 10.93 ? 169 HIS B N 1 ATOM 3239 C CA . HIS B 1 149 ? 0.912 19.906 -17.718 1.00 10.99 ? 169 HIS B CA 1 ATOM 3240 C C . HIS B 1 149 ? -0.034 21.112 -17.728 1.00 10.15 ? 169 HIS B C 1 ATOM 3241 O O . HIS B 1 149 ? -1.265 20.960 -17.498 1.00 10.72 ? 169 HIS B O 1 ATOM 3242 C CB . HIS B 1 149 ? 1.648 19.794 -16.394 1.00 10.72 ? 169 HIS B CB 1 ATOM 3243 C CG . HIS B 1 149 ? 0.801 19.396 -15.268 1.00 11.15 ? 169 HIS B CG 1 ATOM 3244 N ND1 . HIS B 1 149 ? 0.007 20.281 -14.584 1.00 12.70 ? 169 HIS B ND1 1 ATOM 3245 C CD2 . HIS B 1 149 ? 0.632 18.207 -14.675 1.00 12.64 ? 169 HIS B CD2 1 ATOM 3246 C CE1 . HIS B 1 149 ? -0.643 19.647 -13.622 1.00 13.25 ? 169 HIS B CE1 1 ATOM 3247 N NE2 . HIS B 1 149 ? -0.294 18.375 -13.671 1.00 13.08 ? 169 HIS B NE2 1 ATOM 3248 N N . ILE B 1 150 ? 0.495 22.314 -18.051 1.00 9.76 ? 170 ILE B N 1 ATOM 3249 C CA . ILE B 1 150 ? -0.371 23.484 -18.054 1.00 10.16 ? 170 ILE B CA 1 ATOM 3250 C C . ILE B 1 150 ? -1.355 23.482 -19.240 1.00 10.06 ? 170 ILE B C 1 ATOM 3251 O O . ILE B 1 150 ? -2.483 23.984 -19.088 1.00 10.31 ? 170 ILE B O 1 ATOM 3252 C CB . ILE B 1 150 ? 0.355 24.866 -17.908 1.00 10.31 ? 170 ILE B CB 1 ATOM 3253 C CG1 . ILE B 1 150 ? 1.027 25.302 -19.202 1.00 10.36 ? 170 ILE B CG1 1 ATOM 3254 C CG2 . ILE B 1 150 ? 1.251 24.793 -16.707 1.00 11.10 ? 170 ILE B CG2 1 ATOM 3255 C CD1 . ILE B 1 150 ? 1.537 26.735 -19.170 1.00 10.70 ? 170 ILE B CD1 1 ATOM 3256 N N . TRP B 1 151 ? -0.958 22.865 -20.361 1.00 10.07 ? 171 TRP B N 1 ATOM 3257 C CA . TRP B 1 151 ? -1.871 22.653 -21.484 1.00 10.26 ? 171 TRP B CA 1 ATOM 3258 C C . TRP B 1 151 ? -2.888 21.587 -21.226 1.00 10.85 ? 171 TRP B C 1 ATOM 3259 O O . TRP B 1 151 ? -4.064 21.766 -21.497 1.00 10.53 ? 171 TRP B O 1 ATOM 3260 C CB . TRP B 1 151 ? -1.073 22.428 -22.805 1.00 10.33 ? 171 TRP B CB 1 ATOM 3261 C CG . TRP B 1 151 ? -0.633 23.744 -23.368 1.00 10.00 ? 171 TRP B CG 1 ATOM 3262 C CD1 . TRP B 1 151 ? 0.482 24.435 -23.024 1.00 10.25 ? 171 TRP B CD1 1 ATOM 3263 C CD2 . TRP B 1 151 ? -1.343 24.578 -24.300 1.00 10.16 ? 171 TRP B CD2 1 ATOM 3264 N NE1 . TRP B 1 151 ? 0.540 25.611 -23.716 1.00 10.31 ? 171 TRP B NE1 1 ATOM 3265 C CE2 . TRP B 1 151 ? -0.565 25.743 -24.496 1.00 9.70 ? 171 TRP B CE2 1 ATOM 3266 C CE3 . TRP B 1 151 ? -2.539 24.436 -25.014 1.00 10.82 ? 171 TRP B CE3 1 ATOM 3267 C CZ2 . TRP B 1 151 ? -0.927 26.747 -25.367 1.00 9.95 ? 171 TRP B CZ2 1 ATOM 3268 C CZ3 . TRP B 1 151 ? -2.944 25.456 -25.863 1.00 10.23 ? 171 TRP B CZ3 1 ATOM 3269 C CH2 . TRP B 1 151 ? -2.144 26.604 -26.042 1.00 9.71 ? 171 TRP B CH2 1 ATOM 3270 N N . ASP B 1 152 ? -2.444 20.454 -20.684 1.00 10.94 ? 172 ASP B N 1 ATOM 3271 C CA . ASP B 1 152 ? -3.388 19.385 -20.316 1.00 11.24 ? 172 ASP B CA 1 ATOM 3272 C C . ASP B 1 152 ? -4.427 19.762 -19.271 1.00 10.79 ? 172 ASP B C 1 ATOM 3273 O O . ASP B 1 152 ? -5.585 19.330 -19.342 1.00 10.55 ? 172 ASP B O 1 ATOM 3274 C CB . ASP B 1 152 ? -2.641 18.157 -19.766 1.00 10.33 ? 172 ASP B CB 1 ATOM 3275 C CG . ASP B 1 152 ? -2.196 17.146 -20.856 1.00 11.14 ? 172 ASP B CG 1 ATOM 3276 O OD1 . ASP B 1 152 ? -2.505 17.278 -22.032 1.00 10.06 ? 172 ASP B OD1 1 ATOM 3277 O OD2 . ASP B 1 152 ? -1.494 16.189 -20.429 1.00 11.18 ? 172 ASP B OD2 1 ATOM 3278 N N . THR B 1 153 ? -3.979 20.518 -18.267 1.00 10.65 ? 173 THR B N 1 ATOM 3279 C CA . THR B 1 153 ? -4.686 20.599 -17.002 1.00 11.03 ? 173 THR B CA 1 ATOM 3280 C C . THR B 1 153 ? -4.824 22.030 -16.448 1.00 10.60 ? 173 THR B C 1 ATOM 3281 O O . THR B 1 153 ? -5.939 22.483 -16.341 1.00 10.64 ? 173 THR B O 1 ATOM 3282 C CB . THR B 1 153 ? -3.974 19.656 -15.957 1.00 10.93 ? 173 THR B CB 1 ATOM 3283 O OG1 . THR B 1 153 ? -4.140 18.307 -16.367 1.00 12.40 ? 173 THR B OG1 1 ATOM 3284 C CG2 . THR B 1 153 ? -4.491 19.793 -14.569 1.00 11.51 ? 173 THR B CG2 1 ATOM 3285 N N . ASN B 1 154 ? -3.728 22.698 -16.069 1.00 10.61 ? 174 ASN B N 1 ATOM 3286 C CA . ASN B 1 154 ? -3.870 23.947 -15.333 1.00 11.60 ? 174 ASN B CA 1 ATOM 3287 C C . ASN B 1 154 ? -4.716 24.960 -16.086 1.00 10.68 ? 174 ASN B C 1 ATOM 3288 O O . ASN B 1 154 ? -5.670 25.535 -15.503 1.00 10.68 ? 174 ASN B O 1 ATOM 3289 C CB . ASN B 1 154 ? -2.536 24.538 -14.924 1.00 12.36 ? 174 ASN B CB 1 ATOM 3290 C CG . ASN B 1 154 ? -1.704 23.554 -14.134 1.00 14.37 ? 174 ASN B CG 1 ATOM 3291 O OD1 . ASN B 1 154 ? -1.026 22.676 -14.704 1.00 14.95 ? 174 ASN B OD1 1 ATOM 3292 N ND2 . ASN B 1 154 ? -1.809 23.627 -12.803 1.00 15.51 ? 174 ASN B ND2 1 ATOM 3293 N N . MET B 1 155 ? -4.382 25.216 -17.353 1.00 10.44 ? 175 MET B N 1 ATOM 3294 C CA . MET B 1 155 ? -5.089 26.262 -18.076 1.00 10.09 ? 175 MET B CA 1 ATOM 3295 C C . MET B 1 155 ? -6.547 25.949 -18.401 1.00 10.50 ? 175 MET B C 1 ATOM 3296 O O . MET B 1 155 ? -7.412 26.794 -18.168 1.00 10.81 ? 175 MET B O 1 ATOM 3297 C CB . MET B 1 155 ? -4.311 26.706 -19.324 1.00 10.42 ? 175 MET B CB 1 ATOM 3298 C CG . MET B 1 155 ? -2.915 27.272 -19.043 1.00 10.33 ? 175 MET B CG 1 ATOM 3299 S SD . MET B 1 155 ? -2.156 28.257 -20.390 1.00 10.25 ? 175 MET B SD 1 ATOM 3300 C CE . MET B 1 155 ? -2.068 26.885 -21.528 1.00 10.33 ? 175 MET B CE 1 ATOM 3301 N N . PRO B 1 156 ? -6.867 24.753 -18.924 1.00 11.63 ? 176 PRO B N 1 ATOM 3302 C CA . PRO B 1 156 ? -8.298 24.488 -19.156 1.00 11.68 ? 176 PRO B CA 1 ATOM 3303 C C . PRO B 1 156 ? -9.137 24.486 -17.865 1.00 11.62 ? 176 PRO B C 1 ATOM 3304 O O . PRO B 1 156 ? -10.290 24.963 -17.892 1.00 11.19 ? 176 PRO B O 1 ATOM 3305 C CB . PRO B 1 156 ? -8.315 23.089 -19.791 1.00 13.43 ? 176 PRO B CB 1 ATOM 3306 C CG . PRO B 1 156 ? -6.946 22.769 -20.200 1.00 13.46 ? 176 PRO B CG 1 ATOM 3307 C CD . PRO B 1 156 ? -6.002 23.768 -19.580 1.00 12.64 ? 176 PRO B CD 1 ATOM 3308 N N . GLU B 1 157 ? -8.541 23.972 -16.775 1.00 11.71 ? 177 GLU B N 1 ATOM 3309 C CA A GLU B 1 157 ? -9.276 23.900 -15.511 0.50 11.51 ? 177 GLU B CA 1 ATOM 3310 C CA B GLU B 1 157 ? -9.217 23.912 -15.468 0.50 12.81 ? 177 GLU B CA 1 ATOM 3311 C C . GLU B 1 157 ? -9.452 25.311 -14.906 1.00 11.79 ? 177 GLU B C 1 ATOM 3312 O O . GLU B 1 157 ? -10.515 25.619 -14.387 1.00 12.72 ? 177 GLU B O 1 ATOM 3313 C CB A GLU B 1 157 ? -8.687 22.836 -14.585 0.50 11.21 ? 177 GLU B CB 1 ATOM 3314 C CB B GLU B 1 157 ? -8.436 23.067 -14.456 0.50 14.45 ? 177 GLU B CB 1 ATOM 3315 C CG A GLU B 1 157 ? -8.852 21.452 -15.262 0.50 10.66 ? 177 GLU B CG 1 ATOM 3316 C CG B GLU B 1 157 ? -8.564 21.572 -14.682 0.50 16.24 ? 177 GLU B CG 1 ATOM 3317 C CD A GLU B 1 157 ? -8.118 20.293 -14.607 0.50 10.70 ? 177 GLU B CD 1 ATOM 3318 C CD B GLU B 1 157 ? -7.875 20.783 -13.595 0.50 18.17 ? 177 GLU B CD 1 ATOM 3319 O OE1 A GLU B 1 157 ? -7.741 20.409 -13.421 0.50 10.95 ? 177 GLU B OE1 1 ATOM 3320 O OE1 B GLU B 1 157 ? -7.220 21.394 -12.697 0.50 20.74 ? 177 GLU B OE1 1 ATOM 3321 O OE2 A GLU B 1 157 ? -7.936 19.244 -15.295 0.50 10.08 ? 177 GLU B OE2 1 ATOM 3322 O OE2 B GLU B 1 157 ? -8.040 19.540 -13.608 0.50 20.08 ? 177 GLU B OE2 1 ATOM 3323 N N . GLU B 1 158 ? -8.461 26.164 -15.051 1.00 13.48 ? 178 GLU B N 1 ATOM 3324 C CA . GLU B 1 158 ? -8.617 27.578 -14.700 1.00 13.79 ? 178 GLU B CA 1 ATOM 3325 C C . GLU B 1 158 ? -9.730 28.263 -15.504 1.00 14.75 ? 178 GLU B C 1 ATOM 3326 O O . GLU B 1 158 ? -10.607 28.977 -14.935 1.00 12.41 ? 178 GLU B O 1 ATOM 3327 C CB . GLU B 1 158 ? -7.322 28.341 -14.844 1.00 15.73 ? 178 GLU B CB 1 ATOM 3328 C CG . GLU B 1 158 ? -7.466 29.831 -14.516 1.00 17.03 ? 178 GLU B CG 1 ATOM 3329 C CD . GLU B 1 158 ? -6.152 30.563 -14.324 1.00 19.29 ? 178 GLU B CD 1 ATOM 3330 O OE1 . GLU B 1 158 ? -6.239 31.777 -14.001 1.00 22.10 ? 178 GLU B OE1 1 ATOM 3331 O OE2 . GLU B 1 158 ? -5.046 29.981 -14.486 1.00 19.29 ? 178 GLU B OE2 1 ATOM 3332 N N . ALA B 1 159 ? -9.732 28.010 -16.824 1.00 12.51 ? 179 ALA B N 1 ATOM 3333 C CA . ALA B 1 159 ? -10.751 28.594 -17.683 1.00 12.64 ? 179 ALA B CA 1 ATOM 3334 C C . ALA B 1 159 ? -12.159 28.096 -17.390 1.00 12.18 ? 179 ALA B C 1 ATOM 3335 O O . ALA B 1 159 ? -13.131 28.864 -17.423 1.00 12.91 ? 179 ALA B O 1 ATOM 3336 C CB . ALA B 1 159 ? -10.391 28.392 -19.181 1.00 12.66 ? 179 ALA B CB 1 ATOM 3337 N N . ALA B 1 160 ? -12.281 26.813 -17.074 1.00 12.41 ? 180 ALA B N 1 ATOM 3338 C CA . ALA B 1 160 ? -13.555 26.163 -16.831 1.00 12.48 ? 180 ALA B CA 1 ATOM 3339 C C . ALA B 1 160 ? -14.088 26.452 -15.424 1.00 13.62 ? 180 ALA B C 1 ATOM 3340 O O . ALA B 1 160 ? -15.290 26.321 -15.194 1.00 14.38 ? 180 ALA B O 1 ATOM 3341 C CB . ALA B 1 160 ? -13.428 24.687 -17.011 1.00 12.37 ? 180 ALA B CB 1 ATOM 3342 N N . GLY B 1 161 ? -13.194 26.821 -14.519 1.00 13.14 ? 181 GLY B N 1 ATOM 3343 C CA . GLY B 1 161 ? -13.498 27.118 -13.118 1.00 13.56 ? 181 GLY B CA 1 ATOM 3344 C C . GLY B 1 161 ? -13.572 25.877 -12.245 1.00 14.61 ? 181 GLY B C 1 ATOM 3345 O O . GLY B 1 161 ? -14.264 25.877 -11.219 1.00 14.91 ? 181 GLY B O 1 ATOM 3346 N N . GLY B 1 162 ? -12.815 24.843 -12.603 1.00 12.75 ? 182 GLY B N 1 ATOM 3347 C CA . GLY B 1 162 ? -12.802 23.628 -11.828 1.00 14.56 ? 182 GLY B CA 1 ATOM 3348 C C . GLY B 1 162 ? -12.397 22.444 -12.626 1.00 15.40 ? 182 GLY B C 1 ATOM 3349 O O . GLY B 1 162 ? -11.820 22.580 -13.719 1.00 14.67 ? 182 GLY B O 1 ATOM 3350 N N . TYR B 1 163 ? -12.695 21.280 -12.102 1.00 16.02 ? 183 TYR B N 1 ATOM 3351 C CA . TYR B 1 163 ? -12.192 20.048 -12.705 1.00 17.62 ? 183 TYR B CA 1 ATOM 3352 C C . TYR B 1 163 ? -13.055 18.820 -12.684 1.00 18.21 ? 183 TYR B C 1 ATOM 3353 O O . TYR B 1 163 ? -12.631 17.826 -13.205 1.00 21.68 ? 183 TYR B O 1 ATOM 3354 C CB . TYR B 1 163 ? -10.810 19.698 -12.099 1.00 19.37 ? 183 TYR B CB 1 ATOM 3355 C CG . TYR B 1 163 ? -10.859 19.470 -10.597 1.00 21.53 ? 183 TYR B CG 1 ATOM 3356 C CD1 . TYR B 1 163 ? -11.361 18.293 -10.064 1.00 22.04 ? 183 TYR B CD1 1 ATOM 3357 C CD2 . TYR B 1 163 ? -10.452 20.488 -9.719 1.00 26.08 ? 183 TYR B CD2 1 ATOM 3358 C CE1 . TYR B 1 163 ? -11.458 18.106 -8.704 1.00 24.98 ? 183 TYR B CE1 1 ATOM 3359 C CE2 . TYR B 1 163 ? -10.548 20.330 -8.351 1.00 26.27 ? 183 TYR B CE2 1 ATOM 3360 C CZ . TYR B 1 163 ? -11.058 19.152 -7.839 1.00 27.40 ? 183 TYR B CZ 1 ATOM 3361 O OH . TYR B 1 163 ? -11.112 18.982 -6.478 1.00 32.35 ? 183 TYR B OH 1 ATOM 3362 N N . SER B 1 164 ? -14.222 18.878 -12.077 1.00 18.99 ? 184 SER B N 1 ATOM 3363 C CA . SER B 1 164 ? -15.121 17.765 -11.929 1.00 18.56 ? 184 SER B CA 1 ATOM 3364 C C . SER B 1 164 ? -15.961 17.543 -13.185 1.00 17.86 ? 184 SER B C 1 ATOM 3365 O O . SER B 1 164 ? -16.030 18.372 -14.059 1.00 15.97 ? 184 SER B O 1 ATOM 3366 C CB . SER B 1 164 ? -16.114 18.015 -10.811 1.00 17.62 ? 184 SER B CB 1 ATOM 3367 O OG . SER B 1 164 ? -16.933 19.102 -11.145 1.00 17.31 ? 184 SER B OG 1 ATOM 3368 N N . LEU B 1 165 ? -16.604 16.394 -13.217 1.00 17.92 ? 185 LEU B N 1 ATOM 3369 C CA . LEU B 1 165 ? -17.518 16.062 -14.306 1.00 19.67 ? 185 LEU B CA 1 ATOM 3370 C C . LEU B 1 165 ? -18.604 17.137 -14.506 1.00 18.76 ? 185 LEU B C 1 ATOM 3371 O O . LEU B 1 165 ? -18.952 17.489 -15.652 1.00 18.37 ? 185 LEU B O 1 ATOM 3372 C CB . LEU B 1 165 ? -18.134 14.697 -14.031 1.00 18.95 ? 185 LEU B CB 1 ATOM 3373 C CG . LEU B 1 165 ? -18.884 14.029 -15.169 1.00 20.67 ? 185 LEU B CG 1 ATOM 3374 C CD1 . LEU B 1 165 ? -17.975 13.745 -16.385 1.00 20.46 ? 185 LEU B CD1 1 ATOM 3375 C CD2 . LEU B 1 165 ? -19.573 12.759 -14.645 1.00 21.18 ? 185 LEU B CD2 1 ATOM 3376 N N . SER B 1 166 ? -19.188 17.628 -13.417 1.00 17.71 ? 186 SER B N 1 ATOM 3377 C CA . SER B 1 166 ? -20.194 18.676 -13.533 1.00 17.16 ? 186 SER B CA 1 ATOM 3378 C C . SER B 1 166 ? -19.634 19.990 -14.122 1.00 16.51 ? 186 SER B C 1 ATOM 3379 O O . SER B 1 166 ? -20.330 20.662 -14.891 1.00 15.99 ? 186 SER B O 1 ATOM 3380 C CB A SER B 1 166 ? -20.926 18.908 -12.213 0.50 18.65 ? 186 SER B CB 1 ATOM 3381 C CB B SER B 1 166 ? -20.821 18.983 -12.153 0.50 17.48 ? 186 SER B CB 1 ATOM 3382 O OG A SER B 1 166 ? -19.999 19.301 -11.246 0.50 20.27 ? 186 SER B OG 1 ATOM 3383 O OG B SER B 1 166 ? -21.332 20.321 -12.084 0.50 16.33 ? 186 SER B OG 1 ATOM 3384 N N . VAL B 1 167 ? -18.398 20.344 -13.763 1.00 14.59 ? 187 VAL B N 1 ATOM 3385 C CA . VAL B 1 167 ? -17.729 21.494 -14.356 1.00 14.27 ? 187 VAL B CA 1 ATOM 3386 C C . VAL B 1 167 ? -17.454 21.233 -15.878 1.00 14.46 ? 187 VAL B C 1 ATOM 3387 O O . VAL B 1 167 ? -17.633 22.154 -16.716 1.00 12.85 ? 187 VAL B O 1 ATOM 3388 C CB . VAL B 1 167 ? -16.455 21.851 -13.590 1.00 15.93 ? 187 VAL B CB 1 ATOM 3389 C CG1 . VAL B 1 167 ? -15.639 22.868 -14.325 1.00 15.84 ? 187 VAL B CG1 1 ATOM 3390 C CG2 . VAL B 1 167 ? -16.822 22.434 -12.226 1.00 17.29 ? 187 VAL B CG2 1 ATOM 3391 N N . ALA B 1 168 ? -17.082 19.987 -16.227 1.00 13.83 ? 188 ALA B N 1 ATOM 3392 C CA . ALA B 1 168 ? -16.908 19.597 -17.634 1.00 13.39 ? 188 ALA B CA 1 ATOM 3393 C C . ALA B 1 168 ? -18.206 19.785 -18.444 1.00 13.26 ? 188 ALA B C 1 ATOM 3394 O O . ALA B 1 168 ? -18.175 20.259 -19.585 1.00 12.48 ? 188 ALA B O 1 ATOM 3395 C CB . ALA B 1 168 ? -16.416 18.204 -17.761 1.00 13.63 ? 188 ALA B CB 1 ATOM 3396 N N . LYS B 1 169 ? -19.312 19.397 -17.843 1.00 13.03 ? 189 LYS B N 1 ATOM 3397 C CA . LYS B 1 169 ? -20.606 19.503 -18.462 1.00 14.50 ? 189 LYS B CA 1 ATOM 3398 C C . LYS B 1 169 ? -20.889 20.957 -18.757 1.00 13.37 ? 189 LYS B C 1 ATOM 3399 O O . LYS B 1 169 ? -21.268 21.274 -19.872 1.00 14.38 ? 189 LYS B O 1 ATOM 3400 C CB A LYS B 1 169 ? -21.699 18.873 -17.579 0.50 15.58 ? 189 LYS B CB 1 ATOM 3401 C CB B LYS B 1 169 ? -21.722 18.896 -17.607 0.50 14.57 ? 189 LYS B CB 1 ATOM 3402 C CG A LYS B 1 169 ? -23.119 18.940 -18.133 0.50 18.02 ? 189 LYS B CG 1 ATOM 3403 C CG B LYS B 1 169 ? -23.063 18.754 -18.341 0.50 15.93 ? 189 LYS B CG 1 ATOM 3404 C CD A LYS B 1 169 ? -23.220 18.488 -19.597 0.50 18.68 ? 189 LYS B CD 1 ATOM 3405 C CD B LYS B 1 169 ? -23.849 20.074 -18.384 0.50 15.61 ? 189 LYS B CD 1 ATOM 3406 C CE A LYS B 1 169 ? -24.536 18.905 -20.201 0.50 19.53 ? 189 LYS B CE 1 ATOM 3407 C CE B LYS B 1 169 ? -25.362 19.883 -18.569 0.50 15.69 ? 189 LYS B CE 1 ATOM 3408 N NZ A LYS B 1 169 ? -24.622 18.517 -21.635 0.50 19.68 ? 189 LYS B NZ 1 ATOM 3409 N NZ B LYS B 1 169 ? -26.124 21.174 -18.390 0.50 14.43 ? 189 LYS B NZ 1 ATOM 3410 N N . THR B 1 170 ? -20.698 21.844 -17.799 1.00 12.77 ? 190 THR B N 1 ATOM 3411 C CA . THR B 1 170 ? -20.998 23.266 -18.028 1.00 14.49 ? 190 THR B CA 1 ATOM 3412 C C . THR B 1 170 ? -20.069 23.838 -19.107 1.00 13.81 ? 190 THR B C 1 ATOM 3413 O O . THR B 1 170 ? -20.488 24.728 -19.885 1.00 13.15 ? 190 THR B O 1 ATOM 3414 C CB . THR B 1 170 ? -20.860 24.081 -16.697 1.00 17.28 ? 190 THR B CB 1 ATOM 3415 O OG1 . THR B 1 170 ? -21.841 23.590 -15.794 1.00 18.57 ? 190 THR B OG1 1 ATOM 3416 C CG2 . THR B 1 170 ? -21.077 25.520 -16.881 1.00 19.09 ? 190 THR B CG2 1 ATOM 3417 N N . TYR B 1 171 ? -18.778 23.453 -19.073 1.00 12.94 ? 191 TYR B N 1 ATOM 3418 C CA . TYR B 1 171 ? -17.813 23.981 -20.032 1.00 12.27 ? 191 TYR B CA 1 ATOM 3419 C C . TYR B 1 171 ? -18.203 23.505 -21.459 1.00 11.75 ? 191 TYR B C 1 ATOM 3420 O O . TYR B 1 171 ? -18.086 24.254 -22.410 1.00 11.56 ? 191 TYR B O 1 ATOM 3421 C CB . TYR B 1 171 ? -16.399 23.484 -19.687 1.00 12.17 ? 191 TYR B CB 1 ATOM 3422 C CG . TYR B 1 171 ? -15.215 24.228 -20.211 1.00 11.91 ? 191 TYR B CG 1 ATOM 3423 C CD1 . TYR B 1 171 ? -15.190 25.623 -20.284 1.00 12.84 ? 191 TYR B CD1 1 ATOM 3424 C CD2 . TYR B 1 171 ? -14.049 23.555 -20.529 1.00 11.90 ? 191 TYR B CD2 1 ATOM 3425 C CE1 . TYR B 1 171 ? -14.081 26.304 -20.731 1.00 12.79 ? 191 TYR B CE1 1 ATOM 3426 C CE2 . TYR B 1 171 ? -12.912 24.246 -20.938 1.00 12.54 ? 191 TYR B CE2 1 ATOM 3427 C CZ . TYR B 1 171 ? -12.927 25.608 -21.038 1.00 12.65 ? 191 TYR B CZ 1 ATOM 3428 O OH . TYR B 1 171 ? -11.814 26.329 -21.395 1.00 12.58 ? 191 TYR B OH 1 ATOM 3429 N N . ALA B 1 172 ? -18.559 22.226 -21.577 1.00 12.25 ? 192 ALA B N 1 ATOM 3430 C CA . ALA B 1 172 ? -19.027 21.664 -22.806 1.00 12.07 ? 192 ALA B CA 1 ATOM 3431 C C . ALA B 1 172 ? -20.255 22.453 -23.329 1.00 14.87 ? 192 ALA B C 1 ATOM 3432 O O . ALA B 1 172 ? -20.308 22.813 -24.519 1.00 14.60 ? 192 ALA B O 1 ATOM 3433 C CB . ALA B 1 172 ? -19.351 20.196 -22.666 1.00 11.25 ? 192 ALA B CB 1 ATOM 3434 N N . ASP B 1 173 ? -21.178 22.780 -22.444 1.00 14.21 ? 193 ASP B N 1 ATOM 3435 C CA . ASP B 1 173 ? -22.355 23.595 -22.853 1.00 16.96 ? 193 ASP B CA 1 ATOM 3436 C C . ASP B 1 173 ? -21.948 24.962 -23.366 1.00 15.95 ? 193 ASP B C 1 ATOM 3437 O O . ASP B 1 173 ? -22.489 25.429 -24.383 1.00 16.82 ? 193 ASP B O 1 ATOM 3438 C CB . ASP B 1 173 ? -23.344 23.793 -21.717 1.00 17.67 ? 193 ASP B CB 1 ATOM 3439 C CG . ASP B 1 173 ? -24.130 22.570 -21.394 1.00 20.58 ? 193 ASP B CG 1 ATOM 3440 O OD1 . ASP B 1 173 ? -24.169 21.592 -22.163 1.00 22.43 ? 193 ASP B OD1 1 ATOM 3441 O OD2 . ASP B 1 173 ? -24.758 22.605 -20.340 1.00 25.60 ? 193 ASP B OD2 1 ATOM 3442 N N . LEU B 1 174 ? -20.992 25.597 -22.703 1.00 15.71 ? 194 LEU B N 1 ATOM 3443 C CA . LEU B 1 174 ? -20.480 26.889 -23.174 1.00 16.91 ? 194 LEU B CA 1 ATOM 3444 C C . LEU B 1 174 ? -19.902 26.781 -24.607 1.00 16.37 ? 194 LEU B C 1 ATOM 3445 O O . LEU B 1 174 ? -20.201 27.603 -25.519 1.00 14.14 ? 194 LEU B O 1 ATOM 3446 C CB . LEU B 1 174 ? -19.422 27.419 -22.227 1.00 19.68 ? 194 LEU B CB 1 ATOM 3447 C CG . LEU B 1 174 ? -18.739 28.752 -22.562 1.00 23.70 ? 194 LEU B CG 1 ATOM 3448 C CD1 . LEU B 1 174 ? -19.652 29.941 -22.329 1.00 27.46 ? 194 LEU B CD1 1 ATOM 3449 C CD2 . LEU B 1 174 ? -17.463 28.897 -21.722 1.00 24.87 ? 194 LEU B CD2 1 ATOM 3450 N N . LEU B 1 175 ? -19.051 25.790 -24.806 1.00 14.61 ? 195 LEU B N 1 ATOM 3451 C CA . LEU B 1 175 ? -18.382 25.620 -26.070 1.00 13.96 ? 195 LEU B CA 1 ATOM 3452 C C . LEU B 1 175 ? -19.333 25.167 -27.176 1.00 14.85 ? 195 LEU B C 1 ATOM 3453 O O . LEU B 1 175 ? -19.144 25.541 -28.350 1.00 14.60 ? 195 LEU B O 1 ATOM 3454 C CB . LEU B 1 175 ? -17.145 24.673 -25.939 1.00 13.10 ? 195 LEU B CB 1 ATOM 3455 C CG . LEU B 1 175 ? -16.076 25.198 -24.973 1.00 14.13 ? 195 LEU B CG 1 ATOM 3456 C CD1 . LEU B 1 175 ? -14.890 24.235 -24.845 1.00 12.95 ? 195 LEU B CD1 1 ATOM 3457 C CD2 . LEU B 1 175 ? -15.587 26.577 -25.313 1.00 14.79 ? 195 LEU B CD2 1 ATOM 3458 N N . THR B 1 176 ? -20.288 24.306 -26.825 1.00 14.14 ? 196 THR B N 1 ATOM 3459 C CA . THR B 1 176 ? -21.348 23.837 -27.750 1.00 15.08 ? 196 THR B CA 1 ATOM 3460 C C . THR B 1 176 ? -22.111 25.060 -28.285 1.00 15.53 ? 196 THR B C 1 ATOM 3461 O O . THR B 1 176 ? -22.401 25.136 -29.470 1.00 15.80 ? 196 THR B O 1 ATOM 3462 C CB . THR B 1 176 ? -22.241 22.766 -27.064 1.00 14.13 ? 196 THR B CB 1 ATOM 3463 O OG1 . THR B 1 176 ? -21.447 21.559 -26.866 1.00 13.76 ? 196 THR B OG1 1 ATOM 3464 C CG2 . THR B 1 176 ? -23.488 22.435 -27.856 1.00 14.67 ? 196 THR B CG2 1 ATOM 3465 N N . GLU B 1 177 ? -22.426 26.015 -27.412 1.00 15.51 ? 197 GLU B N 1 ATOM 3466 C CA . GLU B 1 177 ? -23.158 27.216 -27.849 1.00 17.33 ? 197 GLU B CA 1 ATOM 3467 C C . GLU B 1 177 ? -22.305 28.045 -28.803 1.00 16.20 ? 197 GLU B C 1 ATOM 3468 O O . GLU B 1 177 ? -22.815 28.564 -29.779 1.00 16.35 ? 197 GLU B O 1 ATOM 3469 C CB . GLU B 1 177 ? -23.662 28.062 -26.657 1.00 19.44 ? 197 GLU B CB 1 ATOM 3470 C CG . GLU B 1 177 ? -24.839 28.971 -27.020 1.00 24.03 ? 197 GLU B CG 1 ATOM 3471 C CD . GLU B 1 177 ? -26.098 28.191 -27.420 0.50 24.03 ? 197 GLU B CD 1 ATOM 3472 O OE1 . GLU B 1 177 ? -26.592 28.373 -28.569 0.50 23.04 ? 197 GLU B OE1 1 ATOM 3473 O OE2 . GLU B 1 177 ? -26.549 27.365 -26.581 0.50 24.72 ? 197 GLU B OE2 1 ATOM 3474 N N . ARG B 1 178 ? -21.010 28.149 -28.534 1.00 15.28 ? 198 ARG B N 1 ATOM 3475 C CA . ARG B 1 178 ? -20.095 28.850 -29.459 1.00 15.18 ? 198 ARG B CA 1 ATOM 3476 C C . ARG B 1 178 ? -20.089 28.246 -30.846 1.00 13.57 ? 198 ARG B C 1 ATOM 3477 O O . ARG B 1 178 ? -20.054 28.965 -31.840 1.00 14.65 ? 198 ARG B O 1 ATOM 3478 C CB . ARG B 1 178 ? -18.663 28.832 -28.932 1.00 14.96 ? 198 ARG B CB 1 ATOM 3479 C CG . ARG B 1 178 ? -18.455 29.722 -27.768 1.00 15.12 ? 198 ARG B CG 1 ATOM 3480 C CD . ARG B 1 178 ? -16.974 29.880 -27.521 1.00 15.58 ? 198 ARG B CD 1 ATOM 3481 N NE . ARG B 1 178 ? -16.803 30.535 -26.268 1.00 16.77 ? 198 ARG B NE 1 ATOM 3482 C CZ . ARG B 1 178 ? -15.696 30.530 -25.563 1.00 17.70 ? 198 ARG B CZ 1 ATOM 3483 N NH1 . ARG B 1 178 ? -14.601 29.934 -26.000 1.00 14.73 ? 198 ARG B NH1 1 ATOM 3484 N NH2 . ARG B 1 178 ? -15.708 31.206 -24.408 1.00 19.69 ? 198 ARG B NH2 1 ATOM 3485 N N . ILE B 1 179 ? -20.213 26.928 -30.920 1.00 14.08 ? 199 ILE B N 1 ATOM 3486 C CA . ILE B 1 179 ? -20.322 26.205 -32.197 1.00 13.51 ? 199 ILE B CA 1 ATOM 3487 C C . ILE B 1 179 ? -21.673 26.516 -32.868 1.00 15.70 ? 199 ILE B C 1 ATOM 3488 O O . ILE B 1 179 ? -21.731 26.742 -34.105 1.00 15.10 ? 199 ILE B O 1 ATOM 3489 C CB . ILE B 1 179 ? -20.127 24.664 -32.029 1.00 13.63 ? 199 ILE B CB 1 ATOM 3490 C CG1 . ILE B 1 179 ? -18.675 24.310 -31.541 1.00 13.01 ? 199 ILE B CG1 1 ATOM 3491 C CG2 . ILE B 1 179 ? -20.479 23.899 -33.292 1.00 12.38 ? 199 ILE B CG2 1 ATOM 3492 C CD1 . ILE B 1 179 ? -18.514 22.884 -31.009 1.00 12.77 ? 199 ILE B CD1 1 ATOM 3493 N N . LYS B 1 180 ? -22.738 26.396 -32.112 1.00 15.66 ? 200 LYS B N 1 ATOM 3494 C CA . LYS B 1 180 ? -24.093 26.492 -32.701 1.00 18.45 ? 200 LYS B CA 1 ATOM 3495 C C . LYS B 1 180 ? -24.433 27.856 -33.204 1.00 17.71 ? 200 LYS B C 1 ATOM 3496 O O . LYS B 1 180 ? -24.900 27.963 -34.298 1.00 18.25 ? 200 LYS B O 1 ATOM 3497 C CB . LYS B 1 180 ? -25.161 26.036 -31.730 1.00 19.94 ? 200 LYS B CB 1 ATOM 3498 C CG . LYS B 1 180 ? -25.151 24.509 -31.557 1.00 24.46 ? 200 LYS B CG 1 ATOM 3499 C CD . LYS B 1 180 ? -26.271 24.023 -30.619 1.00 26.29 ? 200 LYS B CD 1 ATOM 3500 C CE . LYS B 1 180 ? -26.145 22.522 -30.396 1.00 30.80 ? 200 LYS B CE 1 ATOM 3501 N NZ . LYS B 1 180 ? -27.239 21.868 -29.614 1.00 31.79 ? 200 LYS B NZ 1 ATOM 3502 N N . THR B 1 181 ? -24.179 28.869 -32.397 1.00 17.73 ? 201 THR B N 1 ATOM 3503 C CA . THR B 1 181 ? -24.619 30.231 -32.645 1.00 20.72 ? 201 THR B CA 1 ATOM 3504 C C . THR B 1 181 ? -23.639 31.315 -32.315 1.00 20.73 ? 201 THR B C 1 ATOM 3505 O O . THR B 1 181 ? -23.896 32.492 -32.633 1.00 20.38 ? 201 THR B O 1 ATOM 3506 C CB . THR B 1 181 ? -25.893 30.552 -31.812 1.00 24.14 ? 201 THR B CB 1 ATOM 3507 O OG1 . THR B 1 181 ? -25.660 30.337 -30.402 1.00 25.38 ? 201 THR B OG1 1 ATOM 3508 C CG2 . THR B 1 181 ? -27.039 29.684 -32.214 1.00 26.66 ? 201 THR B CG2 1 ATOM 3509 N N . GLY B 1 182 ? -22.508 30.970 -31.719 1.00 17.73 ? 202 GLY B N 1 ATOM 3510 C CA . GLY B 1 182 ? -21.564 31.975 -31.269 1.00 18.63 ? 202 GLY B CA 1 ATOM 3511 C C . GLY B 1 182 ? -20.347 32.116 -32.136 1.00 18.17 ? 202 GLY B C 1 ATOM 3512 O O . GLY B 1 182 ? -20.391 31.984 -33.367 1.00 17.89 ? 202 GLY B O 1 ATOM 3513 N N . THR B 1 183 ? -19.247 32.377 -31.474 1.00 19.36 ? 203 THR B N 1 ATOM 3514 C CA . THR B 1 183 ? -18.034 32.788 -32.165 1.00 20.86 ? 203 THR B CA 1 ATOM 3515 C C . THR B 1 183 ? -17.411 31.747 -33.133 1.00 20.30 ? 203 THR B C 1 ATOM 3516 O O . THR B 1 183 ? -16.558 32.117 -33.971 1.00 20.64 ? 203 THR B O 1 ATOM 3517 C CB . THR B 1 183 ? -16.988 33.359 -31.202 1.00 24.60 ? 203 THR B CB 1 ATOM 3518 O OG1 . THR B 1 183 ? -15.810 33.698 -31.947 1.00 34.37 ? 203 THR B OG1 1 ATOM 3519 C CG2 . THR B 1 183 ? -16.573 32.424 -30.186 1.00 24.18 ? 203 THR B CG2 1 ATOM 3520 N N . TYR B 1 184 ? -17.820 30.486 -32.991 1.00 17.02 ? 204 TYR B N 1 ATOM 3521 C CA . TYR B 1 184 ? -17.350 29.441 -33.902 1.00 16.10 ? 204 TYR B CA 1 ATOM 3522 C C . TYR B 1 184 ? -18.292 29.108 -35.005 1.00 17.16 ? 204 TYR B C 1 ATOM 3523 O O . TYR B 1 184 ? -17.941 28.233 -35.853 1.00 17.39 ? 204 TYR B O 1 ATOM 3524 C CB . TYR B 1 184 ? -16.962 28.136 -33.143 1.00 14.94 ? 204 TYR B CB 1 ATOM 3525 C CG . TYR B 1 184 ? -16.031 28.291 -31.931 1.00 14.18 ? 204 TYR B CG 1 ATOM 3526 C CD1 . TYR B 1 184 ? -14.999 29.273 -31.878 1.00 13.59 ? 204 TYR B CD1 1 ATOM 3527 C CD2 . TYR B 1 184 ? -16.189 27.434 -30.831 1.00 13.74 ? 204 TYR B CD2 1 ATOM 3528 C CE1 . TYR B 1 184 ? -14.186 29.388 -30.763 1.00 14.03 ? 204 TYR B CE1 1 ATOM 3529 C CE2 . TYR B 1 184 ? -15.349 27.513 -29.724 1.00 13.33 ? 204 TYR B CE2 1 ATOM 3530 C CZ . TYR B 1 184 ? -14.371 28.508 -29.675 1.00 14.86 ? 204 TYR B CZ 1 ATOM 3531 O OH . TYR B 1 184 ? -13.617 28.612 -28.551 1.00 15.33 ? 204 TYR B OH 1 ATOM 3532 N N . SER B 1 185 ? -19.489 29.697 -35.008 1.00 16.00 ? 205 SER B N 1 ATOM 3533 C CA . SER B 1 185 ? -20.570 29.141 -35.785 1.00 17.22 ? 205 SER B CA 1 ATOM 3534 C C . SER B 1 185 ? -20.393 29.377 -37.312 1.00 19.88 ? 205 SER B C 1 ATOM 3535 O O . SER B 1 185 ? -20.883 28.582 -38.110 1.00 22.09 ? 205 SER B O 1 ATOM 3536 C CB . SER B 1 185 ? -21.910 29.708 -35.334 1.00 18.43 ? 205 SER B CB 1 ATOM 3537 O OG . SER B 1 185 ? -21.901 31.118 -35.386 1.00 18.99 ? 205 SER B OG 1 ATOM 3538 N N . SER B 1 186 ? -19.628 30.382 -37.673 1.00 21.72 ? 206 SER B N 1 ATOM 3539 C CA . SER B 1 186 ? -19.285 30.555 -39.087 1.00 28.28 ? 206 SER B CA 1 ATOM 3540 C C . SER B 1 186 ? -18.039 29.776 -39.565 1.00 28.02 ? 206 SER B C 1 ATOM 3541 O O . SER B 1 186 ? -17.762 29.780 -40.759 1.00 34.94 ? 206 SER B O 1 ATOM 3542 C CB . SER B 1 186 ? -19.146 32.042 -39.411 1.00 26.82 ? 206 SER B CB 1 ATOM 3543 O OG . SER B 1 186 ? -18.101 32.616 -38.695 1.00 33.59 ? 206 SER B OG 1 ATOM 3544 N N . LYS B 1 187 ? -17.270 29.192 -38.666 1.00 24.92 ? 207 LYS B N 1 ATOM 3545 C CA . LYS B 1 187 ? -16.073 28.405 -39.012 1.00 24.59 ? 207 LYS B CA 1 ATOM 3546 C C . LYS B 1 187 ? -16.277 26.911 -38.906 1.00 23.86 ? 207 LYS B C 1 ATOM 3547 O O . LYS B 1 187 ? -15.562 26.123 -39.549 1.00 21.33 ? 207 LYS B O 1 ATOM 3548 C CB . LYS B 1 187 ? -14.909 28.689 -38.111 1.00 31.57 ? 207 LYS B CB 1 ATOM 3549 C CG . LYS B 1 187 ? -14.328 30.046 -38.188 1.00 37.15 ? 207 LYS B CG 1 ATOM 3550 C CD . LYS B 1 187 ? -13.465 30.121 -36.922 1.00 43.30 ? 207 LYS B CD 1 ATOM 3551 C CE . LYS B 1 187 ? -12.554 31.305 -36.878 1.00 46.29 ? 207 LYS B CE 1 ATOM 3552 N NZ . LYS B 1 187 ? -12.195 31.499 -35.446 1.00 46.31 ? 207 LYS B NZ 1 ATOM 3553 N N . LYS B 1 188 ? -17.216 26.498 -38.058 1.00 20.15 ? 208 LYS B N 1 ATOM 3554 C CA . LYS B 1 188 ? -17.340 25.109 -37.732 1.00 18.42 ? 208 LYS B CA 1 ATOM 3555 C C . LYS B 1 188 ? -17.665 24.177 -38.897 1.00 17.32 ? 208 LYS B C 1 ATOM 3556 O O . LYS B 1 188 ? -17.239 23.037 -38.920 1.00 16.44 ? 208 LYS B O 1 ATOM 3557 C CB . LYS B 1 188 ? -18.281 24.949 -36.567 1.00 21.97 ? 208 LYS B CB 1 ATOM 3558 C CG . LYS B 1 188 ? -19.707 25.375 -36.832 1.00 24.88 ? 208 LYS B CG 1 ATOM 3559 C CD . LYS B 1 188 ? -20.522 24.198 -37.254 1.00 26.75 ? 208 LYS B CD 1 ATOM 3560 C CE . LYS B 1 188 ? -21.971 24.388 -36.832 1.00 30.69 ? 208 LYS B CE 1 ATOM 3561 N NZ . LYS B 1 188 ? -22.503 25.695 -37.276 1.00 32.12 ? 208 LYS B NZ 1 ATOM 3562 N N . ASP B 1 189 ? -18.301 24.696 -39.944 1.00 17.02 ? 209 ASP B N 1 ATOM 3563 C CA . ASP B 1 189 ? -18.556 23.854 -41.100 1.00 18.75 ? 209 ASP B CA 1 ATOM 3564 C C . ASP B 1 189 ? -17.317 23.475 -41.920 1.00 16.88 ? 209 ASP B C 1 ATOM 3565 O O . ASP B 1 189 ? -17.321 22.451 -42.681 1.00 14.44 ? 209 ASP B O 1 ATOM 3566 C CB . ASP B 1 189 ? -19.667 24.479 -41.939 1.00 22.05 ? 209 ASP B CB 1 ATOM 3567 C CG . ASP B 1 189 ? -20.975 24.541 -41.168 0.50 19.71 ? 209 ASP B CG 1 ATOM 3568 O OD1 . ASP B 1 189 ? -21.512 23.453 -40.819 0.50 18.03 ? 209 ASP B OD1 1 ATOM 3569 O OD2 . ASP B 1 189 ? -21.446 25.673 -40.926 0.50 20.06 ? 209 ASP B OD2 1 ATOM 3570 N N . SER B 1 190 ? -16.231 24.205 -41.685 1.00 14.28 ? 210 SER B N 1 ATOM 3571 C CA . SER B 1 190 ? -14.925 23.817 -42.232 1.00 14.50 ? 210 SER B CA 1 ATOM 3572 C C . SER B 1 190 ? -14.174 22.834 -41.395 1.00 12.76 ? 210 SER B C 1 ATOM 3573 O O . SER B 1 190 ? -13.240 22.176 -41.881 1.00 12.84 ? 210 SER B O 1 ATOM 3574 C CB . SER B 1 190 ? -14.097 25.071 -42.503 1.00 18.17 ? 210 SER B CB 1 ATOM 3575 O OG . SER B 1 190 ? -13.675 25.678 -41.279 1.00 22.46 ? 210 SER B OG 1 ATOM 3576 N N . TRP B 1 191 ? -14.562 22.699 -40.108 1.00 11.31 ? 211 TRP B N 1 ATOM 3577 C CA . TRP B 1 191 ? -13.842 21.770 -39.204 1.00 11.12 ? 211 TRP B CA 1 ATOM 3578 C C . TRP B 1 191 ? -13.959 20.334 -39.600 1.00 11.64 ? 211 TRP B C 1 ATOM 3579 O O . TRP B 1 191 ? -13.071 19.526 -39.250 1.00 13.28 ? 211 TRP B O 1 ATOM 3580 C CB . TRP B 1 191 ? -14.335 21.910 -37.775 1.00 10.29 ? 211 TRP B CB 1 ATOM 3581 C CG . TRP B 1 191 ? -14.047 23.259 -37.143 1.00 10.13 ? 211 TRP B CG 1 ATOM 3582 C CD1 . TRP B 1 191 ? -13.318 24.267 -37.639 1.00 9.76 ? 211 TRP B CD1 1 ATOM 3583 C CD2 . TRP B 1 191 ? -14.480 23.694 -35.849 1.00 10.00 ? 211 TRP B CD2 1 ATOM 3584 N NE1 . TRP B 1 191 ? -13.261 25.299 -36.767 1.00 9.65 ? 211 TRP B NE1 1 ATOM 3585 C CE2 . TRP B 1 191 ? -13.955 24.969 -35.647 1.00 9.53 ? 211 TRP B CE2 1 ATOM 3586 C CE3 . TRP B 1 191 ? -15.246 23.114 -34.854 1.00 9.58 ? 211 TRP B CE3 1 ATOM 3587 C CZ2 . TRP B 1 191 ? -14.191 25.695 -34.480 1.00 10.04 ? 211 TRP B CZ2 1 ATOM 3588 C CZ3 . TRP B 1 191 ? -15.459 23.805 -33.692 1.00 9.72 ? 211 TRP B CZ3 1 ATOM 3589 C CH2 . TRP B 1 191 ? -14.971 25.104 -33.535 1.00 9.63 ? 211 TRP B CH2 1 ATOM 3590 N N . THR B 1 192 ? -15.036 19.966 -40.292 1.00 11.36 ? 212 THR B N 1 ATOM 3591 C CA . THR B 1 192 ? -15.229 18.578 -40.788 1.00 11.36 ? 212 THR B CA 1 ATOM 3592 C C . THR B 1 192 ? -14.716 18.379 -42.257 1.00 11.34 ? 212 THR B C 1 ATOM 3593 O O . THR B 1 192 ? -14.887 17.275 -42.850 1.00 11.07 ? 212 THR B O 1 ATOM 3594 C CB . THR B 1 192 ? -16.714 18.212 -40.718 1.00 13.35 ? 212 THR B CB 1 ATOM 3595 O OG1 . THR B 1 192 ? -17.483 19.328 -41.209 1.00 14.72 ? 212 THR B OG1 1 ATOM 3596 C CG2 . THR B 1 192 ? -17.075 17.982 -39.229 1.00 14.86 ? 212 THR B CG2 1 ATOM 3597 N N . ASP B 1 193 ? -14.073 19.391 -42.821 1.00 10.88 ? 213 ASP B N 1 ATOM 3598 C CA . ASP B 1 193 ? -13.539 19.276 -44.192 1.00 13.06 ? 213 ASP B CA 1 ATOM 3599 C C . ASP B 1 193 ? -12.527 18.111 -44.239 1.00 14.26 ? 213 ASP B C 1 ATOM 3600 O O . ASP B 1 193 ? -11.772 17.892 -43.271 1.00 13.02 ? 213 ASP B O 1 ATOM 3601 C CB . ASP B 1 193 ? -12.815 20.544 -44.638 1.00 13.90 ? 213 ASP B CB 1 ATOM 3602 C CG . ASP B 1 193 ? -13.710 21.738 -44.912 1.00 16.50 ? 213 ASP B CG 1 ATOM 3603 O OD1 . ASP B 1 193 ? -14.943 21.644 -44.922 1.00 15.57 ? 213 ASP B OD1 1 ATOM 3604 O OD2 . ASP B 1 193 ? -13.134 22.877 -45.087 1.00 19.35 ? 213 ASP B OD2 1 ATOM 3605 N N . GLY B 1 194 ? -12.562 17.314 -45.297 1.00 13.84 ? 214 GLY B N 1 ATOM 3606 C CA . GLY B 1 194 ? -11.554 16.286 -45.434 1.00 14.68 ? 214 GLY B CA 1 ATOM 3607 C C . GLY B 1 194 ? -11.807 14.965 -44.714 1.00 14.71 ? 214 GLY B C 1 ATOM 3608 O O . GLY B 1 194 ? -11.102 14.008 -44.948 1.00 14.80 ? 214 GLY B O 1 ATOM 3609 N N . ILE B 1 195 ? -12.832 14.888 -43.872 1.00 14.83 ? 215 ILE B N 1 ATOM 3610 C CA . ILE B 1 195 ? -13.101 13.668 -43.149 1.00 14.81 ? 215 ILE B CA 1 ATOM 3611 C C . ILE B 1 195 ? -13.464 12.483 -44.042 1.00 15.59 ? 215 ILE B C 1 ATOM 3612 O O . ILE B 1 195 ? -14.336 12.614 -44.944 1.00 14.31 ? 215 ILE B O 1 ATOM 3613 C CB . ILE B 1 195 ? -14.188 13.855 -42.084 1.00 17.87 ? 215 ILE B CB 1 ATOM 3614 C CG1 . ILE B 1 195 ? -13.643 14.719 -40.967 1.00 18.49 ? 215 ILE B CG1 1 ATOM 3615 C CG2 . ILE B 1 195 ? -14.547 12.480 -41.492 1.00 18.63 ? 215 ILE B CG2 1 ATOM 3616 C CD1 . ILE B 1 195 ? -14.654 15.059 -39.904 1.00 18.66 ? 215 ILE B CD1 1 ATOM 3617 N N . ASP B 1 196 ? -12.828 11.351 -43.834 1.00 13.77 ? 216 ASP B N 1 ATOM 3618 C CA . ASP B 1 196 ? -13.027 10.174 -44.722 1.00 13.84 ? 216 ASP B CA 1 ATOM 3619 C C . ASP B 1 196 ? -12.904 8.923 -43.881 1.00 12.76 ? 216 ASP B C 1 ATOM 3620 O O . ASP B 1 196 ? -11.809 8.541 -43.433 1.00 12.75 ? 216 ASP B O 1 ATOM 3621 C CB . ASP B 1 196 ? -11.991 10.223 -45.816 1.00 15.09 ? 216 ASP B CB 1 ATOM 3622 C CG . ASP B 1 196 ? -12.083 9.059 -46.833 1.00 16.32 ? 216 ASP B CG 1 ATOM 3623 O OD1 . ASP B 1 196 ? -12.963 8.204 -46.751 1.00 17.00 ? 216 ASP B OD1 1 ATOM 3624 O OD2 . ASP B 1 196 ? -11.233 9.051 -47.742 1.00 17.41 ? 216 ASP B OD2 1 ATOM 3625 N N . ILE B 1 197 ? -14.034 8.291 -43.661 1.00 13.65 ? 217 ILE B N 1 ATOM 3626 C CA . ILE B 1 197 ? -14.128 7.055 -42.843 1.00 14.67 ? 217 ILE B CA 1 ATOM 3627 C C . ILE B 1 197 ? -13.316 5.892 -43.422 1.00 14.60 ? 217 ILE B C 1 ATOM 3628 O O . ILE B 1 197 ? -12.899 4.963 -42.665 1.00 14.89 ? 217 ILE B O 1 ATOM 3629 C CB . ILE B 1 197 ? -15.574 6.674 -42.537 1.00 15.34 ? 217 ILE B CB 1 ATOM 3630 C CG1 . ILE B 1 197 ? -15.664 5.621 -41.397 1.00 16.51 ? 217 ILE B CG1 1 ATOM 3631 C CG2 . ILE B 1 197 ? -16.275 6.170 -43.792 1.00 16.75 ? 217 ILE B CG2 1 ATOM 3632 C CD1 . ILE B 1 197 ? -15.055 6.067 -40.085 1.00 16.34 ? 217 ILE B CD1 1 ATOM 3633 N N . LYS B 1 198 ? -13.060 5.967 -44.733 1.00 14.32 ? 218 LYS B N 1 ATOM 3634 C CA . LYS B 1 198 ? -12.265 4.955 -45.428 1.00 16.54 ? 218 LYS B CA 1 ATOM 3635 C C . LYS B 1 198 ? -10.775 5.326 -45.501 1.00 15.78 ? 218 LYS B C 1 ATOM 3636 O O . LYS B 1 198 ? -9.986 4.616 -46.131 1.00 15.75 ? 218 LYS B O 1 ATOM 3637 C CB . LYS B 1 198 ? -12.882 4.679 -46.806 1.00 18.95 ? 218 LYS B CB 1 ATOM 3638 C CG . LYS B 1 198 ? -14.250 3.967 -46.741 1.00 21.54 ? 218 LYS B CG 1 ATOM 3639 C CD . LYS B 1 198 ? -14.283 2.817 -45.759 1.00 26.35 ? 218 LYS B CD 1 ATOM 3640 C CE . LYS B 1 198 ? -13.171 1.755 -45.837 1.00 29.32 ? 218 LYS B CE 1 ATOM 3641 N NZ . LYS B 1 198 ? -13.256 0.835 -46.998 1.00 31.80 ? 218 LYS B NZ 1 ATOM 3642 N N . ASP B 1 199 ? -10.370 6.413 -44.841 1.00 14.07 ? 219 ASP B N 1 ATOM 3643 C CA . ASP B 1 199 ? -8.953 6.735 -44.650 1.00 13.08 ? 219 ASP B CA 1 ATOM 3644 C C . ASP B 1 199 ? -8.798 7.390 -43.256 1.00 12.81 ? 219 ASP B C 1 ATOM 3645 O O . ASP B 1 199 ? -8.563 8.603 -43.122 1.00 11.91 ? 219 ASP B O 1 ATOM 3646 C CB . ASP B 1 199 ? -8.423 7.671 -45.742 1.00 14.08 ? 219 ASP B CB 1 ATOM 3647 C CG . ASP B 1 199 ? -6.939 7.672 -45.832 1.00 14.08 ? 219 ASP B CG 1 ATOM 3648 O OD1 . ASP B 1 199 ? -6.275 7.277 -44.862 1.00 14.37 ? 219 ASP B OD1 1 ATOM 3649 O OD2 . ASP B 1 199 ? -6.376 8.167 -46.846 1.00 16.26 ? 219 ASP B OD2 1 ATOM 3650 N N . PRO B 1 200 ? -8.868 6.546 -42.189 1.00 13.13 ? 220 PRO B N 1 ATOM 3651 C CA . PRO B 1 200 ? -8.588 7.029 -40.840 1.00 12.88 ? 220 PRO B CA 1 ATOM 3652 C C . PRO B 1 200 ? -7.239 7.693 -40.600 1.00 11.98 ? 220 PRO B C 1 ATOM 3653 O O . PRO B 1 200 ? -7.172 8.659 -39.811 1.00 10.51 ? 220 PRO B O 1 ATOM 3654 C CB . PRO B 1 200 ? -8.702 5.780 -39.974 1.00 13.64 ? 220 PRO B CB 1 ATOM 3655 C CG . PRO B 1 200 ? -9.287 4.744 -40.838 1.00 15.83 ? 220 PRO B CG 1 ATOM 3656 C CD . PRO B 1 200 ? -9.116 5.113 -42.247 1.00 13.70 ? 220 PRO B CD 1 ATOM 3657 N N . VAL B 1 201 ? -6.187 7.216 -41.256 1.00 11.63 ? 221 VAL B N 1 ATOM 3658 C CA . VAL B 1 201 ? -4.828 7.816 -41.072 1.00 11.83 ? 221 VAL B CA 1 ATOM 3659 C C . VAL B 1 201 ? -4.879 9.248 -41.640 1.00 11.60 ? 221 VAL B C 1 ATOM 3660 O O . VAL B 1 201 ? -4.474 10.204 -40.991 1.00 9.98 ? 221 VAL B O 1 ATOM 3661 C CB . VAL B 1 201 ? -3.735 6.978 -41.726 1.00 12.17 ? 221 VAL B CB 1 ATOM 3662 C CG1 . VAL B 1 201 ? -2.377 7.638 -41.655 1.00 13.16 ? 221 VAL B CG1 1 ATOM 3663 C CG2 . VAL B 1 201 ? -3.658 5.601 -41.057 1.00 13.38 ? 221 VAL B CG2 1 ATOM 3664 N N . SER B 1 202 ? -5.335 9.395 -42.889 1.00 11.28 ? 222 SER B N 1 ATOM 3665 C CA . SER B 1 202 ? -5.399 10.735 -43.473 1.00 11.89 ? 222 SER B CA 1 ATOM 3666 C C . SER B 1 202 ? -6.254 11.655 -42.608 1.00 11.49 ? 222 SER B C 1 ATOM 3667 O O . SER B 1 202 ? -5.882 12.843 -42.345 1.00 11.03 ? 222 SER B O 1 ATOM 3668 C CB A SER B 1 202 ? -6.014 10.661 -44.891 0.60 13.15 ? 222 SER B CB 1 ATOM 3669 C CB B SER B 1 202 ? -5.879 10.736 -44.937 0.40 11.80 ? 222 SER B CB 1 ATOM 3670 O OG A SER B 1 202 ? -6.364 11.952 -45.322 0.60 15.38 ? 222 SER B OG 1 ATOM 3671 O OG B SER B 1 202 ? -4.827 10.290 -45.756 0.40 11.51 ? 222 SER B OG 1 ATOM 3672 N N . THR B 1 203 ? -7.423 11.160 -42.209 1.00 11.14 ? 223 THR B N 1 ATOM 3673 C CA . THR B 1 203 ? -8.340 12.001 -41.454 1.00 11.15 ? 223 THR B CA 1 ATOM 3674 C C . THR B 1 203 ? -7.724 12.476 -40.142 1.00 10.78 ? 223 THR B C 1 ATOM 3675 O O . THR B 1 203 ? -7.785 13.678 -39.819 1.00 9.88 ? 223 THR B O 1 ATOM 3676 C CB . THR B 1 203 ? -9.692 11.301 -41.201 1.00 12.29 ? 223 THR B CB 1 ATOM 3677 O OG1 . THR B 1 203 ? -10.306 10.964 -42.475 1.00 12.37 ? 223 THR B OG1 1 ATOM 3678 C CG2 . THR B 1 203 ? -10.607 12.201 -40.331 1.00 12.19 ? 223 THR B CG2 1 ATOM 3679 N N . SER B 1 204 ? -7.175 11.542 -39.376 1.00 10.58 ? 224 SER B N 1 ATOM 3680 C CA . SER B 1 204 ? -6.592 11.916 -38.101 1.00 11.27 ? 224 SER B CA 1 ATOM 3681 C C . SER B 1 204 ? -5.358 12.754 -38.272 1.00 10.89 ? 224 SER B C 1 ATOM 3682 O O . SER B 1 204 ? -5.100 13.662 -37.458 1.00 10.33 ? 224 SER B O 1 ATOM 3683 C CB . SER B 1 204 ? -6.384 10.702 -37.159 1.00 11.89 ? 224 SER B CB 1 ATOM 3684 O OG . SER B 1 204 ? -5.621 9.660 -37.720 1.00 13.85 ? 224 SER B OG 1 ATOM 3685 N N . MET B 1 205 ? -4.660 12.563 -39.381 1.00 11.06 ? 225 MET B N 1 ATOM 3686 C CA . MET B 1 205 ? -3.534 13.425 -39.719 1.00 11.01 ? 225 MET B CA 1 ATOM 3687 C C . MET B 1 205 ? -3.964 14.860 -40.001 1.00 11.02 ? 225 MET B C 1 ATOM 3688 O O . MET B 1 205 ? -3.210 15.798 -39.657 1.00 12.46 ? 225 MET B O 1 ATOM 3689 C CB . MET B 1 205 ? -2.657 12.878 -40.848 1.00 10.97 ? 225 MET B CB 1 ATOM 3690 C CG . MET B 1 205 ? -1.747 11.767 -40.397 1.00 11.47 ? 225 MET B CG 1 ATOM 3691 S SD . MET B 1 205 ? -0.412 12.239 -39.318 1.00 12.63 ? 225 MET B SD 1 ATOM 3692 C CE . MET B 1 205 ? 0.448 13.534 -40.223 1.00 12.12 ? 225 MET B CE 1 ATOM 3693 N N . ILE B 1 206 ? -5.128 15.061 -40.595 1.00 10.38 ? 226 ILE B N 1 ATOM 3694 C CA . ILE B 1 206 ? -5.612 16.441 -40.788 1.00 10.45 ? 226 ILE B CA 1 ATOM 3695 C C . ILE B 1 206 ? -5.710 17.121 -39.400 1.00 10.05 ? 226 ILE B C 1 ATOM 3696 O O . ILE B 1 206 ? -5.228 18.225 -39.193 1.00 8.48 ? 226 ILE B O 1 ATOM 3697 C CB . ILE B 1 206 ? -6.978 16.475 -41.500 1.00 12.29 ? 226 ILE B CB 1 ATOM 3698 C CG1 . ILE B 1 206 ? -6.842 16.067 -42.966 1.00 14.97 ? 226 ILE B CG1 1 ATOM 3699 C CG2 . ILE B 1 206 ? -7.604 17.836 -41.399 1.00 12.39 ? 226 ILE B CG2 1 ATOM 3700 C CD1 . ILE B 1 206 ? -8.178 15.788 -43.610 1.00 15.62 ? 226 ILE B CD1 1 ATOM 3701 N N . TRP B 1 207 ? -6.341 16.409 -38.465 1.00 8.82 ? 227 TRP B N 1 ATOM 3702 C CA . TRP B 1 207 ? -6.563 16.952 -37.162 1.00 8.97 ? 227 TRP B CA 1 ATOM 3703 C C . TRP B 1 207 ? -5.270 17.189 -36.382 1.00 8.38 ? 227 TRP B C 1 ATOM 3704 O O . TRP B 1 207 ? -5.088 18.245 -35.774 1.00 8.41 ? 227 TRP B O 1 ATOM 3705 C CB . TRP B 1 207 ? -7.457 16.016 -36.391 1.00 9.40 ? 227 TRP B CB 1 ATOM 3706 C CG . TRP B 1 207 ? -8.810 15.751 -37.085 1.00 10.40 ? 227 TRP B CG 1 ATOM 3707 C CD1 . TRP B 1 207 ? -9.421 16.493 -38.012 1.00 9.88 ? 227 TRP B CD1 1 ATOM 3708 C CD2 . TRP B 1 207 ? -9.657 14.657 -36.797 1.00 11.18 ? 227 TRP B CD2 1 ATOM 3709 N NE1 . TRP B 1 207 ? -10.636 15.923 -38.368 1.00 10.82 ? 227 TRP B NE1 1 ATOM 3710 C CE2 . TRP B 1 207 ? -10.797 14.776 -37.631 1.00 10.58 ? 227 TRP B CE2 1 ATOM 3711 C CE3 . TRP B 1 207 ? -9.550 13.566 -35.922 1.00 11.39 ? 227 TRP B CE3 1 ATOM 3712 C CZ2 . TRP B 1 207 ? -11.846 13.874 -37.582 1.00 11.86 ? 227 TRP B CZ2 1 ATOM 3713 C CZ3 . TRP B 1 207 ? -10.569 12.604 -35.933 1.00 12.33 ? 227 TRP B CZ3 1 ATOM 3714 C CH2 . TRP B 1 207 ? -11.709 12.778 -36.759 1.00 11.94 ? 227 TRP B CH2 1 ATOM 3715 N N . ALA B 1 208 ? -4.343 16.241 -36.435 1.00 8.30 ? 228 ALA B N 1 ATOM 3716 C CA . ALA B 1 208 ? -3.040 16.382 -35.832 1.00 8.51 ? 228 ALA B CA 1 ATOM 3717 C C . ALA B 1 208 ? -2.241 17.546 -36.412 1.00 9.28 ? 228 ALA B C 1 ATOM 3718 O O . ALA B 1 208 ? -1.633 18.357 -35.682 1.00 10.19 ? 228 ALA B O 1 ATOM 3719 C CB . ALA B 1 208 ? -2.292 15.078 -35.977 1.00 8.28 ? 228 ALA B CB 1 ATOM 3720 N N . ALA B 1 209 ? -2.271 17.655 -37.746 1.00 9.64 ? 229 ALA B N 1 ATOM 3721 C CA . ALA B 1 209 ? -1.600 18.776 -38.438 1.00 9.36 ? 229 ALA B CA 1 ATOM 3722 C C . ALA B 1 209 ? -2.170 20.140 -38.029 1.00 9.68 ? 229 ALA B C 1 ATOM 3723 O O . ALA B 1 209 ? -1.425 21.094 -37.791 1.00 9.41 ? 229 ALA B O 1 ATOM 3724 C CB . ALA B 1 209 ? -1.613 18.577 -39.950 1.00 10.12 ? 229 ALA B CB 1 ATOM 3725 N N . ASP B 1 210 ? -3.490 20.203 -37.933 1.00 9.92 ? 230 ASP B N 1 ATOM 3726 C CA . ASP B 1 210 ? -4.174 21.413 -37.529 1.00 10.74 ? 230 ASP B CA 1 ATOM 3727 C C . ASP B 1 210 ? -3.717 21.808 -36.117 1.00 9.84 ? 230 ASP B C 1 ATOM 3728 O O . ASP B 1 210 ? -3.247 22.916 -35.887 1.00 9.78 ? 230 ASP B O 1 ATOM 3729 C CB . ASP B 1 210 ? -5.717 21.165 -37.649 1.00 10.41 ? 230 ASP B CB 1 ATOM 3730 C CG . ASP B 1 210 ? -6.554 22.348 -37.239 1.00 11.69 ? 230 ASP B CG 1 ATOM 3731 O OD1 . ASP B 1 210 ? -6.076 23.493 -37.298 1.00 12.20 ? 230 ASP B OD1 1 ATOM 3732 O OD2 . ASP B 1 210 ? -7.763 22.132 -36.883 1.00 12.67 ? 230 ASP B OD2 1 ATOM 3733 N N . ALA B 1 211 ? -3.849 20.879 -35.178 1.00 9.35 ? 231 ALA B N 1 ATOM 3734 C CA . ALA B 1 211 ? -3.444 21.150 -33.821 1.00 8.88 ? 231 ALA B CA 1 ATOM 3735 C C . ALA B 1 211 ? -1.946 21.525 -33.714 1.00 9.14 ? 231 ALA B C 1 ATOM 3736 O O . ALA B 1 211 ? -1.591 22.470 -32.964 1.00 8.96 ? 231 ALA B O 1 ATOM 3737 C CB . ALA B 1 211 ? -3.787 20.016 -32.925 1.00 8.42 ? 231 ALA B CB 1 ATOM 3738 N N . ASN B 1 212 ? -1.101 20.866 -34.532 1.00 8.76 ? 232 ASN B N 1 ATOM 3739 C CA . ASN B 1 212 ? 0.295 21.116 -34.453 1.00 9.51 ? 232 ASN B CA 1 ATOM 3740 C C . ASN B 1 212 ? 0.679 22.549 -34.887 1.00 9.92 ? 232 ASN B C 1 ATOM 3741 O O . ASN B 1 212 ? 1.651 23.077 -34.401 1.00 9.23 ? 232 ASN B O 1 ATOM 3742 C CB . ASN B 1 212 ? 1.043 20.038 -35.245 1.00 10.07 ? 232 ASN B CB 1 ATOM 3743 C CG . ASN B 1 212 ? 2.474 20.393 -35.566 1.00 11.49 ? 232 ASN B CG 1 ATOM 3744 O OD1 . ASN B 1 212 ? 2.771 20.990 -36.604 1.00 11.46 ? 232 ASN B OD1 1 ATOM 3745 N ND2 . ASN B 1 212 ? 3.403 19.988 -34.700 1.00 11.63 ? 232 ASN B ND2 1 ATOM 3746 N N . THR B 1 213 ? -0.107 23.174 -35.799 1.00 10.19 ? 233 THR B N 1 ATOM 3747 C CA . THR B 1 213 ? 0.179 24.541 -36.226 1.00 11.07 ? 233 THR B CA 1 ATOM 3748 C C . THR B 1 213 ? 0.195 25.495 -35.026 1.00 11.01 ? 233 THR B C 1 ATOM 3749 O O . THR B 1 213 ? 0.939 26.493 -35.027 1.00 13.73 ? 233 THR B O 1 ATOM 3750 C CB . THR B 1 213 ? -0.785 25.110 -37.323 1.00 11.72 ? 233 THR B CB 1 ATOM 3751 O OG1 . THR B 1 213 ? -2.118 25.178 -36.823 1.00 11.06 ? 233 THR B OG1 1 ATOM 3752 C CG2 . THR B 1 213 ? -0.742 24.236 -38.584 1.00 12.46 ? 233 THR B CG2 1 ATOM 3753 N N . TYR B 1 214 ? -0.623 25.210 -34.018 1.00 10.38 ? 234 TYR B N 1 ATOM 3754 C CA . TYR B 1 214 ? -0.657 26.016 -32.820 1.00 10.40 ? 234 TYR B CA 1 ATOM 3755 C C . TYR B 1 214 ? 0.578 25.908 -31.911 1.00 10.74 ? 234 TYR B C 1 ATOM 3756 O O . TYR B 1 214 ? 0.870 26.812 -31.118 1.00 10.76 ? 234 TYR B O 1 ATOM 3757 C CB . TYR B 1 214 ? -1.925 25.734 -32.040 1.00 10.83 ? 234 TYR B CB 1 ATOM 3758 C CG . TYR B 1 214 ? -3.177 26.134 -32.776 1.00 10.92 ? 234 TYR B CG 1 ATOM 3759 C CD1 . TYR B 1 214 ? -3.613 27.431 -32.735 1.00 11.47 ? 234 TYR B CD1 1 ATOM 3760 C CD2 . TYR B 1 214 ? -3.872 25.220 -33.558 1.00 11.01 ? 234 TYR B CD2 1 ATOM 3761 C CE1 . TYR B 1 214 ? -4.788 27.805 -33.407 1.00 13.06 ? 234 TYR B CE1 1 ATOM 3762 C CE2 . TYR B 1 214 ? -5.054 25.579 -34.230 1.00 12.94 ? 234 TYR B CE2 1 ATOM 3763 C CZ . TYR B 1 214 ? -5.514 26.862 -34.140 1.00 12.73 ? 234 TYR B CZ 1 ATOM 3764 O OH . TYR B 1 214 ? -6.663 27.231 -34.815 1.00 15.01 ? 234 TYR B OH 1 ATOM 3765 N N . VAL B 1 215 ? 1.361 24.843 -32.090 1.00 10.89 ? 235 VAL B N 1 ATOM 3766 C CA . VAL B 1 215 ? 2.662 24.759 -31.409 1.00 10.34 ? 235 VAL B CA 1 ATOM 3767 C C . VAL B 1 215 ? 3.482 25.992 -31.826 1.00 12.08 ? 235 VAL B C 1 ATOM 3768 O O . VAL B 1 215 ? 4.147 26.588 -30.972 1.00 12.96 ? 235 VAL B O 1 ATOM 3769 C CB . VAL B 1 215 ? 3.388 23.437 -31.674 1.00 9.66 ? 235 VAL B CB 1 ATOM 3770 C CG1 . VAL B 1 215 ? 4.743 23.453 -30.964 1.00 10.50 ? 235 VAL B CG1 1 ATOM 3771 C CG2 . VAL B 1 215 ? 2.588 22.224 -31.247 1.00 9.94 ? 235 VAL B CG2 1 ATOM 3772 N N . CYS B 1 216 ? 3.486 26.337 -33.133 1.00 12.68 ? 236 CYS B N 1 ATOM 3773 C CA . CYS B 1 216 ? 4.233 27.466 -33.635 1.00 14.15 ? 236 CYS B CA 1 ATOM 3774 C C . CYS B 1 216 ? 3.574 28.811 -33.360 1.00 13.28 ? 236 CYS B C 1 ATOM 3775 O O . CYS B 1 216 ? 4.280 29.767 -33.000 1.00 14.95 ? 236 CYS B O 1 ATOM 3776 C CB . CYS B 1 216 ? 4.525 27.334 -35.138 1.00 14.84 ? 236 CYS B CB 1 ATOM 3777 S SG . CYS B 1 216 ? 5.784 26.114 -35.542 1.00 16.75 ? 236 CYS B SG 1 ATOM 3778 N N . SER B 1 217 ? 2.259 28.877 -33.490 1.00 12.82 ? 237 SER B N 1 ATOM 3779 C CA . SER B 1 217 ? 1.582 30.161 -33.436 1.00 12.66 ? 237 SER B CA 1 ATOM 3780 C C . SER B 1 217 ? 1.363 30.612 -31.993 1.00 13.37 ? 237 SER B C 1 ATOM 3781 O O . SER B 1 217 ? 1.187 31.795 -31.753 1.00 14.88 ? 237 SER B O 1 ATOM 3782 C CB . SER B 1 217 ? 0.248 30.110 -34.185 1.00 13.46 ? 237 SER B CB 1 ATOM 3783 O OG . SER B 1 217 ? -0.756 29.348 -33.493 1.00 13.06 ? 237 SER B OG 1 ATOM 3784 N N . THR B 1 218 ? 1.339 29.677 -31.069 1.00 11.82 ? 238 THR B N 1 ATOM 3785 C CA . THR B 1 218 ? 0.769 29.896 -29.724 1.00 12.68 ? 238 THR B CA 1 ATOM 3786 C C . THR B 1 218 ? 1.595 29.259 -28.583 1.00 12.99 ? 238 THR B C 1 ATOM 3787 O O . THR B 1 218 ? 1.921 29.937 -27.598 1.00 14.23 ? 238 THR B O 1 ATOM 3788 C CB . THR B 1 218 ? -0.680 29.375 -29.633 1.00 13.36 ? 238 THR B CB 1 ATOM 3789 O OG1 . THR B 1 218 ? -1.472 29.926 -30.727 1.00 13.40 ? 238 THR B OG1 1 ATOM 3790 C CG2 . THR B 1 218 ? -1.399 29.765 -28.310 1.00 12.87 ? 238 THR B CG2 1 ATOM 3791 N N . VAL B 1 219 ? 1.892 27.978 -28.677 1.00 11.84 ? 239 VAL B N 1 ATOM 3792 C CA . VAL B 1 219 ? 2.490 27.270 -27.554 1.00 11.61 ? 239 VAL B CA 1 ATOM 3793 C C . VAL B 1 219 ? 3.903 27.820 -27.272 1.00 12.26 ? 239 VAL B C 1 ATOM 3794 O O . VAL B 1 219 ? 4.276 28.039 -26.108 1.00 11.51 ? 239 VAL B O 1 ATOM 3795 C CB . VAL B 1 219 ? 2.539 25.738 -27.773 1.00 12.05 ? 239 VAL B CB 1 ATOM 3796 C CG1 . VAL B 1 219 ? 3.193 25.035 -26.550 1.00 12.71 ? 239 VAL B CG1 1 ATOM 3797 C CG2 . VAL B 1 219 ? 1.153 25.160 -27.965 1.00 11.74 ? 239 VAL B CG2 1 ATOM 3798 N N . LEU B 1 220 ? 4.695 27.920 -28.334 1.00 12.31 ? 240 LEU B N 1 ATOM 3799 C CA . LEU B 1 220 ? 6.110 28.229 -28.233 1.00 15.73 ? 240 LEU B CA 1 ATOM 3800 C C . LEU B 1 220 ? 6.480 29.501 -28.973 1.00 16.64 ? 240 LEU B C 1 ATOM 3801 O O . LEU B 1 220 ? 7.645 29.834 -29.077 1.00 18.89 ? 240 LEU B O 1 ATOM 3802 C CB . LEU B 1 220 ? 6.926 27.068 -28.782 1.00 14.79 ? 240 LEU B CB 1 ATOM 3803 C CG . LEU B 1 220 ? 6.817 25.764 -27.997 1.00 16.06 ? 240 LEU B CG 1 ATOM 3804 C CD1 . LEU B 1 220 ? 7.586 24.641 -28.708 1.00 16.65 ? 240 LEU B CD1 1 ATOM 3805 C CD2 . LEU B 1 220 ? 7.314 25.938 -26.573 1.00 16.85 ? 240 LEU B CD2 1 ATOM 3806 N N . ASP B 1 221 ? 5.517 30.247 -29.440 1.00 19.41 ? 241 ASP B N 1 ATOM 3807 C CA . ASP B 1 221 ? 5.845 31.432 -30.267 1.00 23.27 ? 241 ASP B CA 1 ATOM 3808 C C . ASP B 1 221 ? 6.586 32.496 -29.462 1.00 24.74 ? 241 ASP B C 1 ATOM 3809 O O . ASP B 1 221 ? 7.377 33.226 -30.014 1.00 25.67 ? 241 ASP B O 1 ATOM 3810 C CB . ASP B 1 221 ? 4.623 32.014 -30.939 1.00 25.75 ? 241 ASP B CB 1 ATOM 3811 C CG . ASP B 1 221 ? 3.798 32.776 -30.004 1.00 28.24 ? 241 ASP B CG 1 ATOM 3812 O OD1 . ASP B 1 221 ? 3.380 32.129 -29.022 1.00 29.65 ? 241 ASP B OD1 1 ATOM 3813 O OD2 . ASP B 1 221 ? 3.531 33.980 -30.257 1.00 32.73 ? 241 ASP B OD2 1 ATOM 3814 N N . ASP B 1 222 ? 6.397 32.527 -28.150 1.00 26.08 ? 242 ASP B N 1 ATOM 3815 C CA . ASP B 1 222 ? 7.217 33.453 -27.286 1.00 28.81 ? 242 ASP B CA 1 ATOM 3816 C C . ASP B 1 222 ? 8.677 33.072 -27.157 1.00 28.03 ? 242 ASP B C 1 ATOM 3817 O O . ASP B 1 222 ? 9.484 33.865 -26.671 1.00 27.37 ? 242 ASP B O 1 ATOM 3818 C CB . ASP B 1 222 ? 6.617 33.569 -25.878 1.00 29.45 ? 242 ASP B CB 1 ATOM 3819 C CG . ASP B 1 222 ? 5.193 34.116 -25.916 1.00 31.11 ? 242 ASP B CG 1 ATOM 3820 O OD1 . ASP B 1 222 ? 4.963 35.171 -26.532 1.00 41.55 ? 242 ASP B OD1 1 ATOM 3821 O OD2 . ASP B 1 222 ? 4.287 33.470 -25.403 1.00 32.94 ? 242 ASP B OD2 1 ATOM 3822 N N . GLY B 1 223 ? 9.006 31.865 -27.559 1.00 28.74 ? 243 GLY B N 1 ATOM 3823 C CA . GLY B 1 223 ? 10.355 31.370 -27.385 1.00 29.76 ? 243 GLY B CA 1 ATOM 3824 C C . GLY B 1 223 ? 10.635 30.813 -26.004 1.00 30.01 ? 243 GLY B C 1 ATOM 3825 O O . GLY B 1 223 ? 9.918 31.146 -25.028 1.00 29.60 ? 243 GLY B O 1 ATOM 3826 N N . LEU B 1 224 ? 11.682 29.976 -25.931 1.00 26.13 ? 244 LEU B N 1 ATOM 3827 C CA . LEU B 1 224 ? 12.003 29.295 -24.658 1.00 28.26 ? 244 LEU B CA 1 ATOM 3828 C C . LEU B 1 224 ? 12.583 30.231 -23.593 1.00 30.52 ? 244 LEU B C 1 ATOM 3829 O O . LEU B 1 224 ? 12.422 29.966 -22.422 1.00 27.55 ? 244 LEU B O 1 ATOM 3830 C CB . LEU B 1 224 ? 12.886 28.076 -24.853 1.00 30.56 ? 244 LEU B CB 1 ATOM 3831 C CG . LEU B 1 224 ? 12.226 26.919 -25.610 1.00 35.18 ? 244 LEU B CG 1 ATOM 3832 C CD1 . LEU B 1 224 ? 13.197 25.788 -25.788 1.00 38.71 ? 244 LEU B CD1 1 ATOM 3833 C CD2 . LEU B 1 224 ? 10.977 26.387 -24.920 1.00 40.65 ? 244 LEU B CD2 1 ATOM 3834 N N . ALA B 1 225 ? 13.184 31.356 -23.973 1.00 33.66 ? 245 ALA B N 1 ATOM 3835 C CA . ALA B 1 225 ? 13.707 32.277 -22.944 1.00 34.22 ? 245 ALA B CA 1 ATOM 3836 C C . ALA B 1 225 ? 12.548 32.829 -22.112 1.00 32.44 ? 245 ALA B C 1 ATOM 3837 O O . ALA B 1 225 ? 12.618 32.872 -20.869 1.00 37.21 ? 245 ALA B O 1 ATOM 3838 C CB . ALA B 1 225 ? 14.509 33.401 -23.552 1.00 37.74 ? 245 ALA B CB 1 ATOM 3839 N N . TYR B 1 226 ? 11.486 33.212 -22.803 1.00 28.35 ? 246 TYR B N 1 ATOM 3840 C CA . TYR B 1 226 ? 10.274 33.712 -22.154 1.00 25.63 ? 246 TYR B CA 1 ATOM 3841 C C . TYR B 1 226 ? 9.551 32.622 -21.350 1.00 25.43 ? 246 TYR B C 1 ATOM 3842 O O . TYR B 1 226 ? 9.161 32.843 -20.204 1.00 22.53 ? 246 TYR B O 1 ATOM 3843 C CB . TYR B 1 226 ? 9.325 34.354 -23.166 1.00 23.53 ? 246 TYR B CB 1 ATOM 3844 C CG . TYR B 1 226 ? 8.021 34.813 -22.603 1.00 23.60 ? 246 TYR B CG 1 ATOM 3845 C CD1 . TYR B 1 226 ? 6.927 33.917 -22.407 1.00 26.58 ? 246 TYR B CD1 1 ATOM 3846 C CD2 . TYR B 1 226 ? 7.826 36.128 -22.241 1.00 25.00 ? 246 TYR B CD2 1 ATOM 3847 C CE1 . TYR B 1 226 ? 5.708 34.339 -21.882 1.00 23.79 ? 246 TYR B CE1 1 ATOM 3848 C CE2 . TYR B 1 226 ? 6.625 36.545 -21.709 1.00 26.25 ? 246 TYR B CE2 1 ATOM 3849 C CZ . TYR B 1 226 ? 5.572 35.655 -21.538 1.00 26.74 ? 246 TYR B CZ 1 ATOM 3850 O OH . TYR B 1 226 ? 4.402 36.123 -21.035 1.00 26.75 ? 246 TYR B OH 1 ATOM 3851 N N . ILE B 1 227 ? 9.365 31.463 -21.979 1.00 24.47 ? 247 ILE B N 1 ATOM 3852 C CA . ILE B 1 227 ? 8.677 30.326 -21.372 1.00 22.74 ? 247 ILE B CA 1 ATOM 3853 C C . ILE B 1 227 ? 9.383 29.832 -20.110 1.00 26.07 ? 247 ILE B C 1 ATOM 3854 O O . ILE B 1 227 ? 8.736 29.415 -19.142 1.00 22.67 ? 247 ILE B O 1 ATOM 3855 C CB . ILE B 1 227 ? 8.492 29.197 -22.410 1.00 22.43 ? 247 ILE B CB 1 ATOM 3856 C CG1 . ILE B 1 227 ? 7.307 29.546 -23.309 1.00 22.88 ? 247 ILE B CG1 1 ATOM 3857 C CG2 . ILE B 1 227 ? 8.273 27.849 -21.716 1.00 21.88 ? 247 ILE B CG2 1 ATOM 3858 C CD1 . ILE B 1 227 ? 7.268 28.757 -24.573 1.00 26.16 ? 247 ILE B CD1 1 ATOM 3859 N N . ASN B 1 228 ? 10.709 29.847 -20.151 1.00 28.74 ? 248 ASN B N 1 ATOM 3860 C CA . ASN B 1 228 ? 11.518 29.420 -19.016 1.00 35.09 ? 248 ASN B CA 1 ATOM 3861 C C . ASN B 1 228 ? 11.593 30.432 -17.849 1.00 33.85 ? 248 ASN B C 1 ATOM 3862 O O . ASN B 1 228 ? 11.871 30.042 -16.724 1.00 37.98 ? 248 ASN B O 1 ATOM 3863 C CB . ASN B 1 228 ? 12.947 29.107 -19.482 1.00 37.96 ? 248 ASN B CB 1 ATOM 3864 C CG . ASN B 1 228 ? 13.013 27.895 -20.362 1.00 43.41 ? 248 ASN B CG 1 ATOM 3865 O OD1 . ASN B 1 228 ? 11.982 27.267 -20.663 1.00 43.82 ? 248 ASN B OD1 1 ATOM 3866 N ND2 . ASN B 1 228 ? 14.226 27.543 -20.808 1.00 41.06 ? 248 ASN B ND2 1 ATOM 3867 N N . SER B 1 229 ? 11.334 31.705 -18.119 1.00 32.60 ? 249 SER B N 1 ATOM 3868 C CA . SER B 1 229 ? 11.626 32.777 -17.159 1.00 32.63 ? 249 SER B CA 1 ATOM 3869 C C . SER B 1 229 ? 10.432 33.658 -16.695 1.00 32.32 ? 249 SER B C 1 ATOM 3870 O O . SER B 1 229 ? 10.620 34.661 -16.009 1.00 30.76 ? 249 SER B O 1 ATOM 3871 C CB . SER B 1 229 ? 12.703 33.676 -17.765 1.00 35.22 ? 249 SER B CB 1 ATOM 3872 O OG . SER B 1 229 ? 12.197 34.386 -18.876 1.00 36.02 ? 249 SER B OG 1 ATOM 3873 N N . THR B 1 230 ? 9.223 33.299 -17.097 1.00 25.96 ? 250 THR B N 1 ATOM 3874 C CA . THR B 1 230 ? 8.024 34.045 -16.769 1.00 27.04 ? 250 THR B CA 1 ATOM 3875 C C . THR B 1 230 ? 6.947 33.095 -16.258 1.00 21.88 ? 250 THR B C 1 ATOM 3876 O O . THR B 1 230 ? 6.808 31.989 -16.722 1.00 21.40 ? 250 THR B O 1 ATOM 3877 C CB . THR B 1 230 ? 7.504 34.719 -18.042 1.00 28.57 ? 250 THR B CB 1 ATOM 3878 O OG1 . THR B 1 230 ? 8.621 35.216 -18.774 1.00 36.58 ? 250 THR B OG1 1 ATOM 3879 C CG2 . THR B 1 230 ? 6.577 35.836 -17.763 1.00 31.08 ? 250 THR B CG2 1 ATOM 3880 N N . ASP B 1 231 ? 6.149 33.574 -15.337 1.00 18.80 ? 251 ASP B N 1 ATOM 3881 C CA . ASP B 1 231 ? 4.991 32.860 -14.865 1.00 17.12 ? 251 ASP B CA 1 ATOM 3882 C C . ASP B 1 231 ? 3.947 32.889 -16.014 1.00 15.43 ? 251 ASP B C 1 ATOM 3883 O O . ASP B 1 231 ? 3.550 33.959 -16.456 1.00 15.17 ? 251 ASP B O 1 ATOM 3884 C CB . ASP B 1 231 ? 4.443 33.539 -13.607 1.00 15.79 ? 251 ASP B CB 1 ATOM 3885 C CG . ASP B 1 231 ? 3.330 32.762 -12.949 1.00 16.50 ? 251 ASP B CG 1 ATOM 3886 O OD1 . ASP B 1 231 ? 2.335 32.316 -13.618 1.00 15.69 ? 251 ASP B OD1 1 ATOM 3887 O OD2 . ASP B 1 231 ? 3.350 32.695 -11.685 1.00 16.41 ? 251 ASP B OD2 1 ATOM 3888 N N . LEU B 1 232 ? 3.502 31.705 -16.432 1.00 14.24 ? 252 LEU B N 1 ATOM 3889 C CA . LEU B 1 232 ? 2.642 31.543 -17.618 1.00 14.83 ? 252 LEU B CA 1 ATOM 3890 C C . LEU B 1 232 ? 1.152 31.660 -17.356 1.00 14.54 ? 252 LEU B C 1 ATOM 3891 O O . LEU B 1 232 ? 0.334 31.485 -18.275 1.00 15.39 ? 252 LEU B O 1 ATOM 3892 C CB . LEU B 1 232 ? 2.999 30.243 -18.354 1.00 14.23 ? 252 LEU B CB 1 ATOM 3893 C CG . LEU B 1 232 ? 4.485 30.111 -18.678 1.00 13.42 ? 252 LEU B CG 1 ATOM 3894 C CD1 . LEU B 1 232 ? 4.781 28.824 -19.419 1.00 14.03 ? 252 LEU B CD1 1 ATOM 3895 C CD2 . LEU B 1 232 ? 5.003 31.287 -19.489 1.00 14.03 ? 252 LEU B CD2 1 ATOM 3896 N N . SER B 1 233 ? 0.768 31.936 -16.112 1.00 14.38 ? 253 SER B N 1 ATOM 3897 C CA . SER B 1 233 ? -0.640 32.158 -15.781 1.00 13.36 ? 253 SER B CA 1 ATOM 3898 C C . SER B 1 233 ? -1.169 33.585 -16.047 1.00 13.51 ? 253 SER B C 1 ATOM 3899 O O . SER B 1 233 ? -2.361 33.837 -15.899 1.00 14.70 ? 253 SER B O 1 ATOM 3900 C CB . SER B 1 233 ? -0.895 31.813 -14.314 1.00 13.16 ? 253 SER B CB 1 ATOM 3901 O OG . SER B 1 233 ? -0.225 32.730 -13.466 1.00 13.32 ? 253 SER B OG 1 ATOM 3902 N N . GLY B 1 234 ? -0.308 34.481 -16.492 1.00 13.74 ? 254 GLY B N 1 ATOM 3903 C CA . GLY B 1 234 ? -0.709 35.844 -16.873 1.00 14.93 ? 254 GLY B CA 1 ATOM 3904 C C . GLY B 1 234 ? -0.979 35.968 -18.353 1.00 14.10 ? 254 GLY B C 1 ATOM 3905 O O . GLY B 1 234 ? -1.935 35.387 -18.858 1.00 13.06 ? 254 GLY B O 1 ATOM 3906 N N . GLU B 1 235 ? -0.096 36.686 -19.056 1.00 15.93 ? 255 GLU B N 1 ATOM 3907 C CA . GLU B 1 235 ? -0.296 36.952 -20.504 1.00 16.15 ? 255 GLU B CA 1 ATOM 3908 C C . GLU B 1 235 ? -0.377 35.670 -21.309 1.00 13.82 ? 255 GLU B C 1 ATOM 3909 O O . GLU B 1 235 ? -1.101 35.546 -22.299 1.00 12.16 ? 255 GLU B O 1 ATOM 3910 C CB . GLU B 1 235 ? 0.819 37.815 -21.066 1.00 19.51 ? 255 GLU B CB 1 ATOM 3911 C CG . GLU B 1 235 ? 0.625 39.264 -20.676 1.00 26.76 ? 255 GLU B CG 1 ATOM 3912 C CD . GLU B 1 235 ? 1.516 40.217 -21.473 0.50 27.14 ? 255 GLU B CD 1 ATOM 3913 O OE1 . GLU B 1 235 ? 2.692 39.840 -21.722 0.50 24.86 ? 255 GLU B OE1 1 ATOM 3914 O OE2 . GLU B 1 235 ? 1.030 41.338 -21.805 0.50 27.46 ? 255 GLU B OE2 1 ATOM 3915 N N . TYR B 1 236 ? 0.462 34.737 -20.931 1.00 12.27 ? 256 TYR B N 1 ATOM 3916 C CA . TYR B 1 236 ? 0.525 33.467 -21.711 1.00 12.15 ? 256 TYR B CA 1 ATOM 3917 C C . TYR B 1 236 ? -0.827 32.756 -21.690 1.00 11.63 ? 256 TYR B C 1 ATOM 3918 O O . TYR B 1 236 ? -1.310 32.270 -22.712 1.00 11.96 ? 256 TYR B O 1 ATOM 3919 C CB . TYR B 1 236 ? 1.651 32.588 -21.209 1.00 11.13 ? 256 TYR B CB 1 ATOM 3920 C CG . TYR B 1 236 ? 1.856 31.314 -22.008 1.00 10.54 ? 256 TYR B CG 1 ATOM 3921 C CD1 . TYR B 1 236 ? 1.165 30.144 -21.694 1.00 10.71 ? 256 TYR B CD1 1 ATOM 3922 C CD2 . TYR B 1 236 ? 2.737 31.257 -23.066 1.00 10.83 ? 256 TYR B CD2 1 ATOM 3923 C CE1 . TYR B 1 236 ? 1.383 28.956 -22.408 1.00 10.55 ? 256 TYR B CE1 1 ATOM 3924 C CE2 . TYR B 1 236 ? 2.964 30.074 -23.758 1.00 10.33 ? 256 TYR B CE2 1 ATOM 3925 C CZ . TYR B 1 236 ? 2.271 28.939 -23.417 1.00 9.85 ? 256 TYR B CZ 1 ATOM 3926 O OH . TYR B 1 236 ? 2.471 27.747 -24.129 1.00 10.04 ? 256 TYR B OH 1 ATOM 3927 N N . TYR B 1 237 ? -1.434 32.664 -20.498 1.00 13.37 ? 257 TYR B N 1 ATOM 3928 C CA . TYR B 1 237 ? -2.744 32.097 -20.376 1.00 12.57 ? 257 TYR B CA 1 ATOM 3929 C C . TYR B 1 237 ? -3.760 32.896 -21.202 1.00 13.51 ? 257 TYR B C 1 ATOM 3930 O O . TYR B 1 237 ? -4.608 32.298 -21.882 1.00 12.37 ? 257 TYR B O 1 ATOM 3931 C CB . TYR B 1 237 ? -3.144 32.030 -18.906 1.00 12.71 ? 257 TYR B CB 1 ATOM 3932 C CG . TYR B 1 237 ? -4.602 31.762 -18.688 1.00 13.49 ? 257 TYR B CG 1 ATOM 3933 C CD1 . TYR B 1 237 ? -5.076 30.455 -18.614 1.00 14.28 ? 257 TYR B CD1 1 ATOM 3934 C CD2 . TYR B 1 237 ? -5.531 32.816 -18.565 1.00 15.46 ? 257 TYR B CD2 1 ATOM 3935 C CE1 . TYR B 1 237 ? -6.409 30.186 -18.387 1.00 14.50 ? 257 TYR B CE1 1 ATOM 3936 C CE2 . TYR B 1 237 ? -6.882 32.573 -18.346 1.00 16.36 ? 257 TYR B CE2 1 ATOM 3937 C CZ . TYR B 1 237 ? -7.322 31.244 -18.282 1.00 17.31 ? 257 TYR B CZ 1 ATOM 3938 O OH . TYR B 1 237 ? -8.635 30.951 -18.102 1.00 17.47 ? 257 TYR B OH 1 ATOM 3939 N N . ASP B 1 238 ? -3.656 34.219 -21.156 1.00 13.57 ? 258 ASP B N 1 ATOM 3940 C CA . ASP B 1 238 ? -4.617 35.077 -21.908 1.00 16.61 ? 258 ASP B CA 1 ATOM 3941 C C . ASP B 1 238 ? -4.615 34.781 -23.415 1.00 15.59 ? 258 ASP B C 1 ATOM 3942 O O . ASP B 1 238 ? -5.695 34.711 -24.060 1.00 15.12 ? 258 ASP B O 1 ATOM 3943 C CB . ASP B 1 238 ? -4.279 36.542 -21.724 1.00 17.16 ? 258 ASP B CB 1 ATOM 3944 C CG . ASP B 1 238 ? -4.489 37.025 -20.313 1.00 21.58 ? 258 ASP B CG 1 ATOM 3945 O OD1 . ASP B 1 238 ? -5.204 36.338 -19.498 1.00 23.34 ? 258 ASP B OD1 1 ATOM 3946 O OD2 . ASP B 1 238 ? -3.904 38.104 -20.037 1.00 23.44 ? 258 ASP B OD2 1 ATOM 3947 N N . LYS B 1 239 ? -3.413 34.625 -23.937 1.00 14.95 ? 259 LYS B N 1 ATOM 3948 C CA . LYS B 1 239 ? -3.104 34.258 -25.342 1.00 17.80 ? 259 LYS B CA 1 ATOM 3949 C C . LYS B 1 239 ? -3.534 32.791 -25.679 1.00 16.45 ? 259 LYS B C 1 ATOM 3950 O O . LYS B 1 239 ? -3.965 32.492 -26.797 1.00 16.34 ? 259 LYS B O 1 ATOM 3951 C CB A LYS B 1 239 ? -1.585 34.438 -25.566 0.50 19.07 ? 259 LYS B CB 1 ATOM 3952 C CB B LYS B 1 239 ? -1.577 34.423 -25.607 0.50 20.27 ? 259 LYS B CB 1 ATOM 3953 C CG A LYS B 1 239 ? -1.003 33.796 -26.794 0.50 20.97 ? 259 LYS B CG 1 ATOM 3954 C CG B LYS B 1 239 ? -1.108 34.335 -27.058 0.50 23.56 ? 259 LYS B CG 1 ATOM 3955 C CD A LYS B 1 239 ? 0.515 33.824 -26.733 0.50 21.16 ? 259 LYS B CD 1 ATOM 3956 C CD B LYS B 1 239 ? 0.344 33.845 -27.091 0.50 25.77 ? 259 LYS B CD 1 ATOM 3957 C CE A LYS B 1 239 ? 1.027 32.665 -25.935 0.50 19.87 ? 259 LYS B CE 1 ATOM 3958 C CE B LYS B 1 239 ? 1.088 34.280 -28.349 0.50 25.60 ? 259 LYS B CE 1 ATOM 3959 N NZ A LYS B 1 239 ? 2.284 32.362 -26.653 0.50 19.80 ? 259 LYS B NZ 1 ATOM 3960 N NZ B LYS B 1 239 ? 2.439 34.738 -27.913 0.50 26.77 ? 259 LYS B NZ 1 ATOM 3961 N N . SER B 1 240 ? -3.396 31.882 -24.740 1.00 13.23 ? 260 SER B N 1 ATOM 3962 C CA . SER B 1 240 ? -3.633 30.476 -24.982 1.00 12.03 ? 260 SER B CA 1 ATOM 3963 C C . SER B 1 240 ? -5.144 30.124 -24.887 1.00 12.03 ? 260 SER B C 1 ATOM 3964 O O . SER B 1 240 ? -5.620 29.177 -25.528 1.00 12.13 ? 260 SER B O 1 ATOM 3965 C CB . SER B 1 240 ? -2.880 29.613 -24.003 1.00 11.43 ? 260 SER B CB 1 ATOM 3966 O OG . SER B 1 240 ? -1.475 29.745 -24.091 1.00 11.29 ? 260 SER B OG 1 ATOM 3967 N N . GLN B 1 241 ? -5.862 30.789 -24.031 1.00 11.64 ? 261 GLN B N 1 ATOM 3968 C CA . GLN B 1 241 ? -7.245 30.406 -23.781 1.00 12.92 ? 261 GLN B CA 1 ATOM 3969 C C . GLN B 1 241 ? -8.134 30.283 -25.073 1.00 13.29 ? 261 GLN B C 1 ATOM 3970 O O . GLN B 1 241 ? -8.821 29.289 -25.219 1.00 11.36 ? 261 GLN B O 1 ATOM 3971 C CB . GLN B 1 241 ? -7.903 31.347 -22.745 1.00 14.06 ? 261 GLN B CB 1 ATOM 3972 C CG . GLN B 1 241 ? -9.349 30.964 -22.432 1.00 15.98 ? 261 GLN B CG 1 ATOM 3973 C CD . GLN B 1 241 ? -10.001 31.898 -21.396 1.00 19.91 ? 261 GLN B CD 1 ATOM 3974 O OE1 . GLN B 1 241 ? -9.455 32.922 -21.068 1.00 20.59 ? 261 GLN B OE1 1 ATOM 3975 N NE2 . GLN B 1 241 ? -11.160 31.542 -20.931 1.00 20.35 ? 261 GLN B NE2 1 ATOM 3976 N N . PRO B 1 242 ? -8.125 31.307 -25.963 1.00 12.60 ? 262 PRO B N 1 ATOM 3977 C CA . PRO B 1 242 ? -8.944 31.156 -27.197 1.00 13.96 ? 262 PRO B CA 1 ATOM 3978 C C . PRO B 1 242 ? -8.531 29.969 -28.057 1.00 11.97 ? 262 PRO B C 1 ATOM 3979 O O . PRO B 1 242 ? -9.357 29.305 -28.665 1.00 10.91 ? 262 PRO B O 1 ATOM 3980 C CB . PRO B 1 242 ? -8.800 32.511 -27.934 1.00 14.08 ? 262 PRO B CB 1 ATOM 3981 C CG . PRO B 1 242 ? -7.787 33.279 -27.157 1.00 14.52 ? 262 PRO B CG 1 ATOM 3982 C CD . PRO B 1 242 ? -7.483 32.630 -25.863 1.00 12.72 ? 262 PRO B CD 1 ATOM 3983 N N . VAL B 1 243 ? -7.277 29.609 -27.952 1.00 10.54 ? 263 VAL B N 1 ATOM 3984 C CA . VAL B 1 243 ? -6.752 28.428 -28.665 1.00 10.47 ? 263 VAL B CA 1 ATOM 3985 C C . VAL B 1 243 ? -7.179 27.112 -28.097 1.00 10.23 ? 263 VAL B C 1 ATOM 3986 O O . VAL B 1 243 ? -7.749 26.273 -28.830 1.00 11.65 ? 263 VAL B O 1 ATOM 3987 C CB . VAL B 1 243 ? -5.224 28.560 -28.847 1.00 10.00 ? 263 VAL B CB 1 ATOM 3988 C CG1 . VAL B 1 243 ? -4.600 27.237 -29.390 1.00 10.10 ? 263 VAL B CG1 1 ATOM 3989 C CG2 . VAL B 1 243 ? -4.959 29.737 -29.782 1.00 9.90 ? 263 VAL B CG2 1 ATOM 3990 N N . PHE B 1 244 ? -6.935 26.871 -26.801 1.00 10.52 ? 264 PHE B N 1 ATOM 3991 C CA . PHE B 1 244 ? -7.334 25.574 -26.257 1.00 10.06 ? 264 PHE B CA 1 ATOM 3992 C C . PHE B 1 244 ? -8.859 25.416 -26.243 1.00 9.63 ? 264 PHE B C 1 ATOM 3993 O O . PHE B 1 244 ? -9.388 24.318 -26.422 1.00 8.49 ? 264 PHE B O 1 ATOM 3994 C CB . PHE B 1 244 ? -6.661 25.151 -24.925 1.00 10.17 ? 264 PHE B CB 1 ATOM 3995 C CG . PHE B 1 244 ? -6.893 26.064 -23.743 1.00 10.05 ? 264 PHE B CG 1 ATOM 3996 C CD1 . PHE B 1 244 ? -8.119 26.097 -23.075 1.00 10.76 ? 264 PHE B CD1 1 ATOM 3997 C CD2 . PHE B 1 244 ? -5.839 26.887 -23.286 1.00 10.64 ? 264 PHE B CD2 1 ATOM 3998 C CE1 . PHE B 1 244 ? -8.293 26.924 -21.968 1.00 11.75 ? 264 PHE B CE1 1 ATOM 3999 C CE2 . PHE B 1 244 ? -5.997 27.699 -22.155 1.00 10.32 ? 264 PHE B CE2 1 ATOM 4000 C CZ . PHE B 1 244 ? -7.222 27.697 -21.483 1.00 10.72 ? 264 PHE B CZ 1 ATOM 4001 N N . GLU B 1 245 ? -9.581 26.503 -26.092 1.00 9.88 ? 265 GLU B N 1 ATOM 4002 C CA . GLU B 1 245 ? -11.037 26.382 -26.120 1.00 10.39 ? 265 GLU B CA 1 ATOM 4003 C C . GLU B 1 245 ? -11.550 26.031 -27.506 1.00 9.92 ? 265 GLU B C 1 ATOM 4004 O O . GLU B 1 245 ? -12.424 25.157 -27.666 1.00 9.34 ? 265 GLU B O 1 ATOM 4005 C CB . GLU B 1 245 ? -11.654 27.666 -25.571 1.00 11.19 ? 265 GLU B CB 1 ATOM 4006 C CG . GLU B 1 245 ? -11.453 27.749 -24.083 1.00 11.73 ? 265 GLU B CG 1 ATOM 4007 C CD . GLU B 1 245 ? -12.159 28.882 -23.356 1.00 14.21 ? 265 GLU B CD 1 ATOM 4008 O OE1 . GLU B 1 245 ? -12.252 28.827 -22.100 1.00 13.73 ? 265 GLU B OE1 1 ATOM 4009 O OE2 . GLU B 1 245 ? -12.580 29.862 -24.011 1.00 15.53 ? 265 GLU B OE2 1 ATOM 4010 N N . GLU B 1 246 ? -11.022 26.701 -28.519 1.00 10.55 ? 266 GLU B N 1 ATOM 4011 C CA . GLU B 1 246 ? -11.377 26.290 -29.865 1.00 10.61 ? 266 GLU B CA 1 ATOM 4012 C C . GLU B 1 246 ? -11.021 24.845 -30.171 1.00 10.26 ? 266 GLU B C 1 ATOM 4013 O O . GLU B 1 246 ? -11.791 24.123 -30.831 1.00 9.85 ? 266 GLU B O 1 ATOM 4014 C CB . GLU B 1 246 ? -10.812 27.240 -30.926 1.00 12.15 ? 266 GLU B CB 1 ATOM 4015 C CG . GLU B 1 246 ? -11.460 26.921 -32.283 1.00 14.35 ? 266 GLU B CG 1 ATOM 4016 C CD . GLU B 1 246 ? -10.998 27.757 -33.480 1.00 17.47 ? 266 GLU B CD 1 ATOM 4017 O OE1 . GLU B 1 246 ? -11.212 27.330 -34.619 1.00 19.33 ? 266 GLU B OE1 1 ATOM 4018 O OE2 . GLU B 1 246 ? -10.392 28.791 -33.329 1.00 19.86 ? 266 GLU B OE2 1 ATOM 4019 N N . LEU B 1 247 ? -9.791 24.445 -29.771 1.00 9.11 ? 267 LEU B N 1 ATOM 4020 C CA . LEU B 1 247 ? -9.354 23.085 -30.043 1.00 8.69 ? 267 LEU B CA 1 ATOM 4021 C C . LEU B 1 247 ? -10.190 22.016 -29.321 1.00 8.80 ? 267 LEU B C 1 ATOM 4022 O O . LEU B 1 247 ? -10.458 20.960 -29.881 1.00 8.49 ? 267 LEU B O 1 ATOM 4023 C CB . LEU B 1 247 ? -7.861 22.962 -29.695 1.00 8.93 ? 267 LEU B CB 1 ATOM 4024 C CG . LEU B 1 247 ? -6.998 23.597 -30.765 1.00 8.98 ? 267 LEU B CG 1 ATOM 4025 C CD1 . LEU B 1 247 ? -5.576 23.701 -30.243 1.00 10.39 ? 267 LEU B CD1 1 ATOM 4026 C CD2 . LEU B 1 247 ? -6.973 22.818 -32.083 1.00 9.74 ? 267 LEU B CD2 1 ATOM 4027 N N . ILE B 1 248 ? -10.591 22.293 -28.068 1.00 7.71 ? 268 ILE B N 1 ATOM 4028 C CA . ILE B 1 248 ? -11.485 21.364 -27.387 1.00 8.37 ? 268 ILE B CA 1 ATOM 4029 C C . ILE B 1 248 ? -12.849 21.261 -28.116 1.00 8.07 ? 268 ILE B C 1 ATOM 4030 O O . ILE B 1 248 ? -13.393 20.142 -28.362 1.00 8.88 ? 268 ILE B O 1 ATOM 4031 C CB . ILE B 1 248 ? -11.618 21.790 -25.895 1.00 9.05 ? 268 ILE B CB 1 ATOM 4032 C CG1 . ILE B 1 248 ? -10.302 21.490 -25.142 1.00 9.35 ? 268 ILE B CG1 1 ATOM 4033 C CG2 . ILE B 1 248 ? -12.769 21.083 -25.223 1.00 9.82 ? 268 ILE B CG2 1 ATOM 4034 C CD1 . ILE B 1 248 ? -10.201 22.163 -23.780 1.00 9.89 ? 268 ILE B CD1 1 ATOM 4035 N N . ALA B 1 249 ? -13.375 22.412 -28.523 1.00 8.07 ? 269 ALA B N 1 ATOM 4036 C CA . ALA B 1 249 ? -14.563 22.475 -29.369 1.00 8.50 ? 269 ALA B CA 1 ATOM 4037 C C . ALA B 1 249 ? -14.455 21.698 -30.691 1.00 8.61 ? 269 ALA B C 1 ATOM 4038 O O . ALA B 1 249 ? -15.326 20.861 -30.992 1.00 8.51 ? 269 ALA B O 1 ATOM 4039 C CB . ALA B 1 249 ? -14.962 23.932 -29.669 1.00 8.93 ? 269 ALA B CB 1 ATOM 4040 N N . LYS B 1 250 ? -13.351 21.916 -31.428 1.00 9.46 ? 270 LYS B N 1 ATOM 4041 C CA . LYS B 1 250 ? -13.058 21.136 -32.644 1.00 10.96 ? 270 LYS B CA 1 ATOM 4042 C C . LYS B 1 250 ? -13.022 19.622 -32.352 1.00 10.80 ? 270 LYS B C 1 ATOM 4043 O O . LYS B 1 250 ? -13.523 18.780 -33.170 1.00 10.95 ? 270 LYS B O 1 ATOM 4044 C CB . LYS B 1 250 ? -11.677 21.484 -33.265 1.00 12.51 ? 270 LYS B CB 1 ATOM 4045 C CG . LYS B 1 250 ? -11.636 22.835 -33.926 1.00 14.54 ? 270 LYS B CG 1 ATOM 4046 C CD . LYS B 1 250 ? -10.338 22.986 -34.683 1.00 15.91 ? 270 LYS B CD 1 ATOM 4047 C CE . LYS B 1 250 ? -10.237 24.314 -35.347 1.00 16.63 ? 270 LYS B CE 1 ATOM 4048 N NZ . LYS B 1 250 ? -9.389 24.224 -36.492 1.00 17.59 ? 270 LYS B NZ 1 ATOM 4049 N N . ALA B 1 251 ? -12.381 19.258 -31.234 1.00 10.42 ? 271 ALA B N 1 ATOM 4050 C CA . ALA B 1 251 ? -12.227 17.828 -30.925 1.00 10.21 ? 271 ALA B CA 1 ATOM 4051 C C . ALA B 1 251 ? -13.597 17.193 -30.738 1.00 9.75 ? 271 ALA B C 1 ATOM 4052 O O . ALA B 1 251 ? -13.866 16.107 -31.218 1.00 9.23 ? 271 ALA B O 1 ATOM 4053 C CB . ALA B 1 251 ? -11.353 17.636 -29.686 1.00 10.00 ? 271 ALA B CB 1 ATOM 4054 N N . GLY B 1 252 ? -14.471 17.869 -30.002 1.00 10.57 ? 272 GLY B N 1 ATOM 4055 C CA . GLY B 1 252 ? -15.803 17.337 -29.755 1.00 9.91 ? 272 GLY B CA 1 ATOM 4056 C C . GLY B 1 252 ? -16.648 17.224 -31.047 1.00 10.30 ? 272 GLY B C 1 ATOM 4057 O O . GLY B 1 252 ? -17.327 16.216 -31.265 1.00 10.00 ? 272 GLY B O 1 ATOM 4058 N N . TYR B 1 253 ? -16.556 18.249 -31.883 1.00 9.70 ? 273 TYR B N 1 ATOM 4059 C CA . TYR B 1 253 ? -17.324 18.345 -33.125 1.00 10.78 ? 273 TYR B CA 1 ATOM 4060 C C . TYR B 1 253 ? -16.832 17.265 -34.121 1.00 10.28 ? 273 TYR B C 1 ATOM 4061 O O . TYR B 1 253 ? -17.588 16.513 -34.697 1.00 10.48 ? 273 TYR B O 1 ATOM 4062 C CB . TYR B 1 253 ? -17.204 19.770 -33.672 1.00 10.81 ? 273 TYR B CB 1 ATOM 4063 C CG . TYR B 1 253 ? -18.221 20.125 -34.714 1.00 12.10 ? 273 TYR B CG 1 ATOM 4064 C CD1 . TYR B 1 253 ? -19.576 20.203 -34.404 1.00 12.39 ? 273 TYR B CD1 1 ATOM 4065 C CD2 . TYR B 1 253 ? -17.826 20.363 -36.056 1.00 12.87 ? 273 TYR B CD2 1 ATOM 4066 C CE1 . TYR B 1 253 ? -20.525 20.559 -35.384 1.00 13.29 ? 273 TYR B CE1 1 ATOM 4067 C CE2 . TYR B 1 253 ? -18.782 20.720 -37.022 1.00 13.59 ? 273 TYR B CE2 1 ATOM 4068 C CZ . TYR B 1 253 ? -20.096 20.807 -36.689 1.00 13.71 ? 273 TYR B CZ 1 ATOM 4069 O OH . TYR B 1 253 ? -21.049 21.122 -37.664 1.00 15.58 ? 273 TYR B OH 1 ATOM 4070 N N . ARG B 1 254 ? -15.520 17.133 -34.226 1.00 9.30 ? 274 ARG B N 1 ATOM 4071 C CA . ARG B 1 254 ? -14.935 16.086 -35.031 1.00 9.18 ? 274 ARG B CA 1 ATOM 4072 C C . ARG B 1 254 ? -15.189 14.653 -34.537 1.00 8.91 ? 274 ARG B C 1 ATOM 4073 O O . ARG B 1 254 ? -15.421 13.748 -35.342 1.00 8.94 ? 274 ARG B O 1 ATOM 4074 C CB . ARG B 1 254 ? -13.410 16.373 -35.212 1.00 9.51 ? 274 ARG B CB 1 ATOM 4075 C CG . ARG B 1 254 ? -13.130 17.547 -36.154 1.00 9.18 ? 274 ARG B CG 1 ATOM 4076 C CD . ARG B 1 254 ? -11.744 18.103 -35.989 1.00 9.48 ? 274 ARG B CD 1 ATOM 4077 N NE . ARG B 1 254 ? -11.441 19.088 -36.971 1.00 9.67 ? 274 ARG B NE 1 ATOM 4078 C CZ . ARG B 1 254 ? -10.299 19.779 -37.064 1.00 10.06 ? 274 ARG B CZ 1 ATOM 4079 N NH1 . ARG B 1 254 ? -9.347 19.635 -36.173 1.00 10.66 ? 274 ARG B NH1 1 ATOM 4080 N NH2 . ARG B 1 254 ? -10.085 20.629 -38.062 1.00 10.40 ? 274 ARG B NH2 1 ATOM 4081 N N . LEU B 1 255 ? -15.089 14.446 -33.229 1.00 9.00 ? 275 LEU B N 1 ATOM 4082 C CA . LEU B 1 255 ? -15.432 13.153 -32.616 1.00 9.49 ? 275 LEU B CA 1 ATOM 4083 C C . LEU B 1 255 ? -16.855 12.766 -32.951 1.00 9.58 ? 275 LEU B C 1 ATOM 4084 O O . LEU B 1 255 ? -17.121 11.595 -33.335 1.00 8.24 ? 275 LEU B O 1 ATOM 4085 C CB . LEU B 1 255 ? -15.293 13.240 -31.072 1.00 9.80 ? 275 LEU B CB 1 ATOM 4086 C CG . LEU B 1 255 ? -15.707 11.985 -30.305 1.00 10.07 ? 275 LEU B CG 1 ATOM 4087 C CD1 . LEU B 1 255 ? -15.036 10.685 -30.829 1.00 10.31 ? 275 LEU B CD1 1 ATOM 4088 C CD2 . LEU B 1 255 ? -15.409 12.191 -28.815 1.00 11.21 ? 275 LEU B CD2 1 ATOM 4089 N N . ALA B 1 256 ? -17.784 13.753 -32.847 1.00 8.98 ? 276 ALA B N 1 ATOM 4090 C CA . ALA B 1 256 ? -19.215 13.487 -33.242 1.00 9.77 ? 276 ALA B CA 1 ATOM 4091 C C . ALA B 1 256 ? -19.352 13.030 -34.697 1.00 10.25 ? 276 ALA B C 1 ATOM 4092 O O . ALA B 1 256 ? -20.024 12.036 -34.994 1.00 10.75 ? 276 ALA B O 1 ATOM 4093 C CB . ALA B 1 256 ? -20.074 14.732 -32.991 1.00 10.16 ? 276 ALA B CB 1 ATOM 4094 N N . ALA B 1 257 ? -18.713 13.753 -35.601 1.00 9.97 ? 277 ALA B N 1 ATOM 4095 C CA . ALA B 1 257 ? -18.712 13.400 -37.046 1.00 10.19 ? 277 ALA B CA 1 ATOM 4096 C C . ALA B 1 257 ? -18.144 11.991 -37.306 1.00 10.14 ? 277 ALA B C 1 ATOM 4097 O O . ALA B 1 257 ? -18.716 11.225 -38.060 1.00 9.51 ? 277 ALA B O 1 ATOM 4098 C CB . ALA B 1 257 ? -17.926 14.460 -37.833 1.00 10.44 ? 277 ALA B CB 1 ATOM 4099 N N . TRP B 1 258 ? -17.029 11.682 -36.622 1.00 9.47 ? 278 TRP B N 1 ATOM 4100 C CA . TRP B 1 258 ? -16.420 10.396 -36.712 1.00 9.48 ? 278 TRP B CA 1 ATOM 4101 C C . TRP B 1 258 ? -17.298 9.269 -36.203 1.00 9.79 ? 278 TRP B C 1 ATOM 4102 O O . TRP B 1 258 ? -17.468 8.250 -36.907 1.00 9.33 ? 278 TRP B O 1 ATOM 4103 C CB . TRP B 1 258 ? -15.081 10.389 -35.997 1.00 9.58 ? 278 TRP B CB 1 ATOM 4104 C CG . TRP B 1 258 ? -14.117 9.329 -36.432 1.00 9.46 ? 278 TRP B CG 1 ATOM 4105 C CD1 . TRP B 1 258 ? -13.541 8.399 -35.637 1.00 9.43 ? 278 TRP B CD1 1 ATOM 4106 C CD2 . TRP B 1 258 ? -13.528 9.159 -37.747 1.00 8.81 ? 278 TRP B CD2 1 ATOM 4107 N NE1 . TRP B 1 258 ? -12.699 7.600 -36.384 1.00 9.41 ? 278 TRP B NE1 1 ATOM 4108 C CE2 . TRP B 1 258 ? -12.625 8.099 -37.662 1.00 8.75 ? 278 TRP B CE2 1 ATOM 4109 C CE3 . TRP B 1 258 ? -13.706 9.808 -38.974 1.00 9.11 ? 278 TRP B CE3 1 ATOM 4110 C CZ2 . TRP B 1 258 ? -11.905 7.633 -38.781 1.00 9.16 ? 278 TRP B CZ2 1 ATOM 4111 C CZ3 . TRP B 1 258 ? -12.942 9.382 -40.093 1.00 9.18 ? 278 TRP B CZ3 1 ATOM 4112 C CH2 . TRP B 1 258 ? -12.053 8.344 -39.981 1.00 9.49 ? 278 TRP B CH2 1 ATOM 4113 N N . LEU B 1 259 ? -17.873 9.464 -35.030 1.00 10.38 ? 279 LEU B N 1 ATOM 4114 C CA . LEU B 1 259 ? -18.802 8.439 -34.493 1.00 10.85 ? 279 LEU B CA 1 ATOM 4115 C C . LEU B 1 259 ? -20.002 8.263 -35.398 1.00 11.40 ? 279 LEU B C 1 ATOM 4116 O O . LEU B 1 259 ? -20.456 7.131 -35.607 1.00 11.14 ? 279 LEU B O 1 ATOM 4117 C CB . LEU B 1 259 ? -19.264 8.760 -33.070 1.00 11.39 ? 279 LEU B CB 1 ATOM 4118 C CG . LEU B 1 259 ? -18.143 8.792 -32.027 1.00 12.29 ? 279 LEU B CG 1 ATOM 4119 C CD1 . LEU B 1 259 ? -18.654 9.349 -30.712 1.00 12.64 ? 279 LEU B CD1 1 ATOM 4120 C CD2 . LEU B 1 259 ? -17.525 7.409 -31.868 1.00 12.31 ? 279 LEU B CD2 1 ATOM 4121 N N . ASP B 1 260 ? -20.550 9.366 -35.911 1.00 12.33 ? 280 ASP B N 1 ATOM 4122 C CA . ASP B 1 260 ? -21.661 9.270 -36.889 1.00 13.83 ? 280 ASP B CA 1 ATOM 4123 C C . ASP B 1 260 ? -21.256 8.413 -38.096 1.00 14.23 ? 280 ASP B C 1 ATOM 4124 O O . ASP B 1 260 ? -22.074 7.614 -38.586 1.00 15.43 ? 280 ASP B O 1 ATOM 4125 C CB . ASP B 1 260 ? -22.119 10.656 -37.410 1.00 14.43 ? 280 ASP B CB 1 ATOM 4126 C CG . ASP B 1 260 ? -22.989 11.388 -36.447 1.00 14.22 ? 280 ASP B CG 1 ATOM 4127 O OD1 . ASP B 1 260 ? -23.608 10.800 -35.544 1.00 13.89 ? 280 ASP B OD1 1 ATOM 4128 O OD2 . ASP B 1 260 ? -23.080 12.590 -36.586 1.00 15.66 ? 280 ASP B OD2 1 ATOM 4129 N N . LEU B 1 261 ? -20.014 8.572 -38.601 1.00 12.82 ? 281 LEU B N 1 ATOM 4130 C CA . LEU B 1 261 ? -19.572 7.739 -39.737 1.00 13.27 ? 281 LEU B CA 1 ATOM 4131 C C . LEU B 1 261 ? -19.397 6.311 -39.352 1.00 14.25 ? 281 LEU B C 1 ATOM 4132 O O . LEU B 1 261 ? -19.738 5.419 -40.143 1.00 14.08 ? 281 LEU B O 1 ATOM 4133 C CB . LEU B 1 261 ? -18.295 8.272 -40.427 1.00 13.69 ? 281 LEU B CB 1 ATOM 4134 C CG . LEU B 1 261 ? -18.510 9.632 -41.106 1.00 13.90 ? 281 LEU B CG 1 ATOM 4135 C CD1 . LEU B 1 261 ? -17.205 10.412 -41.343 1.00 13.90 ? 281 LEU B CD1 1 ATOM 4136 C CD2 . LEU B 1 261 ? -19.304 9.518 -42.385 1.00 15.85 ? 281 LEU B CD2 1 ATOM 4137 N N . ILE B 1 262 ? -18.861 6.047 -38.158 1.00 14.59 ? 282 ILE B N 1 ATOM 4138 C CA . ILE B 1 262 ? -18.665 4.650 -37.690 1.00 14.84 ? 282 ILE B CA 1 ATOM 4139 C C . ILE B 1 262 ? -20.017 3.915 -37.598 1.00 15.47 ? 282 ILE B C 1 ATOM 4140 O O . ILE B 1 262 ? -20.174 2.776 -38.054 1.00 16.21 ? 282 ILE B O 1 ATOM 4141 C CB . ILE B 1 262 ? -17.922 4.601 -36.349 1.00 15.03 ? 282 ILE B CB 1 ATOM 4142 C CG1 . ILE B 1 262 ? -16.445 4.980 -36.597 1.00 16.45 ? 282 ILE B CG1 1 ATOM 4143 C CG2 . ILE B 1 262 ? -18.027 3.232 -35.713 1.00 15.51 ? 282 ILE B CG2 1 ATOM 4144 C CD1 . ILE B 1 262 ? -15.646 5.232 -35.334 1.00 16.99 ? 282 ILE B CD1 1 ATOM 4145 N N . ALA B 1 263 ? -20.959 4.595 -36.975 1.00 15.12 ? 283 ALA B N 1 ATOM 4146 C CA . ALA B 1 263 ? -22.292 4.051 -36.743 1.00 17.22 ? 283 ALA B CA 1 ATOM 4147 C C . ALA B 1 263 ? -23.079 3.885 -38.028 1.00 20.49 ? 283 ALA B C 1 ATOM 4148 O O . ALA B 1 263 ? -24.038 3.138 -38.034 1.00 19.08 ? 283 ALA B O 1 ATOM 4149 C CB . ALA B 1 263 ? -23.095 4.910 -35.798 1.00 16.73 ? 283 ALA B CB 1 ATOM 4150 N N . SER B 1 264 ? -22.714 4.567 -39.109 1.00 21.50 ? 284 SER B N 1 ATOM 4151 C CA . SER B 1 264 ? -23.438 4.326 -40.401 1.00 23.52 ? 284 SER B CA 1 ATOM 4152 C C . SER B 1 264 ? -22.927 3.040 -41.084 1.00 25.44 ? 284 SER B C 1 ATOM 4153 O O . SER B 1 264 ? -23.562 2.520 -42.016 1.00 29.73 ? 284 SER B O 1 ATOM 4154 C CB . SER B 1 264 ? -23.331 5.551 -41.309 1.00 25.28 ? 284 SER B CB 1 ATOM 4155 O OG . SER B 1 264 ? -21.991 5.701 -41.797 1.00 27.93 ? 284 SER B OG 1 ATOM 4156 N N . GLN B 1 265 ? -21.821 2.483 -40.599 1.00 26.70 ? 285 GLN B N 1 ATOM 4157 C CA . GLN B 1 265 ? -21.317 1.126 -40.975 1.00 28.38 ? 285 GLN B CA 1 ATOM 4158 C C . GLN B 1 265 ? -21.150 1.040 -42.505 1.00 31.08 ? 285 GLN B C 1 ATOM 4159 O O . GLN B 1 265 ? -21.879 0.293 -43.194 1.00 33.89 ? 285 GLN B O 1 ATOM 4160 C CB . GLN B 1 265 ? -22.225 -0.006 -40.404 1.00 28.95 ? 285 GLN B CB 1 ATOM 4161 C CG . GLN B 1 265 ? -22.181 -0.230 -38.865 1.00 27.47 ? 285 GLN B CG 1 ATOM 4162 C CD . GLN B 1 265 ? -20.878 -0.883 -38.369 1.00 29.55 ? 285 GLN B CD 1 ATOM 4163 O OE1 . GLN B 1 265 ? -20.580 -2.054 -38.684 1.00 29.95 ? 285 GLN B OE1 1 ATOM 4164 N NE2 . GLN B 1 265 ? -20.089 -0.129 -37.612 1.00 26.38 ? 285 GLN B NE2 1 ATOM 4165 N N . PRO B 1 266 ? -20.241 1.863 -43.063 1.00 31.50 ? 286 PRO B N 1 ATOM 4166 C CA . PRO B 1 266 ? -19.938 1.734 -44.495 1.00 32.63 ? 286 PRO B CA 1 ATOM 4167 C C . PRO B 1 266 ? -19.204 0.424 -44.806 1.00 34.53 ? 286 PRO B C 1 ATOM 4168 O O . PRO B 1 266 ? -18.558 -0.172 -43.922 1.00 35.71 ? 286 PRO B O 1 ATOM 4169 C CB . PRO B 1 266 ? -19.050 2.964 -44.779 1.00 33.27 ? 286 PRO B CB 1 ATOM 4170 C CG . PRO B 1 266 ? -18.417 3.267 -43.440 1.00 34.66 ? 286 PRO B CG 1 ATOM 4171 C CD . PRO B 1 266 ? -19.462 2.936 -42.422 1.00 29.50 ? 286 PRO B CD 1 ATOM 4172 N N . SER B 1 267 ? -19.287 -0.019 -46.056 1.00 38.51 ? 287 SER B N 1 ATOM 4173 C CA . SER B 1 267 ? -18.589 -1.235 -46.508 1.00 42.58 ? 287 SER B CA 1 ATOM 4174 C C . SER B 1 267 ? -17.086 -1.051 -46.683 1.00 48.62 ? 287 SER B C 1 ATOM 4175 O O . SER B 1 267 ? -16.304 -2.008 -46.806 1.00 51.94 ? 287 SER B O 1 ATOM 4176 C CB . SER B 1 267 ? -19.102 -1.619 -47.869 1.00 45.28 ? 287 SER B CB 1 ATOM 4177 O OG . SER B 1 267 ? -18.615 -0.682 -48.823 1.00 44.47 ? 287 SER B OG 1 ATOM 4178 O OXT . SER B 1 267 ? -16.644 0.090 -46.778 1.00 52.52 ? 287 SER B OXT 1 HETATM 4179 ZN ZN . ZN C 2 . ? -2.575 -1.164 5.654 1.00 9.78 2 401 ZN A ZN 1 HETATM 4180 ZN ZN . ZN D 2 . ? -3.549 1.814 7.049 1.00 10.08 2 402 ZN A ZN 1 HETATM 4181 ZN ZN . ZN E 2 . ? -6.872 -2.699 5.388 1.00 11.83 2 403 ZN A ZN 1 HETATM 4182 C C1 . NAG F 3 . ? -3.204 18.280 7.120 0.50 27.87 ? 501 NAG A C1 1 HETATM 4183 C C2 . NAG F 3 . ? -4.612 17.766 7.491 0.50 28.31 ? 501 NAG A C2 1 HETATM 4184 C C3 . NAG F 3 . ? -5.081 18.324 8.837 0.50 28.89 ? 501 NAG A C3 1 HETATM 4185 C C4 . NAG F 3 . ? -4.076 17.847 9.877 0.50 29.66 ? 501 NAG A C4 1 HETATM 4186 C C5 . NAG F 3 . ? -2.707 18.377 9.475 0.50 28.27 ? 501 NAG A C5 1 HETATM 4187 C C6 . NAG F 3 . ? -1.652 17.863 10.442 0.50 29.71 ? 501 NAG A C6 1 HETATM 4188 C C7 . NAG F 3 . ? -5.841 17.149 5.487 0.50 32.15 ? 501 NAG A C7 1 HETATM 4189 C C8 . NAG F 3 . ? -6.946 17.669 4.611 0.50 35.09 ? 501 NAG A C8 1 HETATM 4190 N N2 . NAG F 3 . ? -5.606 18.010 6.472 0.50 29.67 ? 501 NAG A N2 1 HETATM 4191 O O3 . NAG F 3 . ? -6.394 17.872 9.179 0.50 29.49 ? 501 NAG A O3 1 HETATM 4192 O O4 . NAG F 3 . ? -4.420 18.258 11.220 0.50 32.79 ? 501 NAG A O4 1 HETATM 4193 O O5 . NAG F 3 . ? -2.348 17.895 8.184 0.50 27.44 ? 501 NAG A O5 1 HETATM 4194 O O6 . NAG F 3 . ? -1.934 16.478 10.708 0.50 28.37 ? 501 NAG A O6 1 HETATM 4195 O O7 . NAG F 3 . ? -5.191 16.085 5.322 0.50 28.53 ? 501 NAG A O7 1 HETATM 4196 C C1 . NAG G 3 . ? -21.953 -13.015 -0.811 1.00 27.67 ? 502 NAG A C1 1 HETATM 4197 C C2 . NAG G 3 . ? -23.332 -12.725 -1.421 1.00 29.26 ? 502 NAG A C2 1 HETATM 4198 C C3 . NAG G 3 . ? -23.606 -11.219 -1.392 1.00 31.98 ? 502 NAG A C3 1 HETATM 4199 C C4 . NAG G 3 . ? -23.485 -10.711 0.015 1.00 30.82 ? 502 NAG A C4 1 HETATM 4200 C C5 . NAG G 3 . ? -22.166 -11.117 0.659 1.00 33.48 ? 502 NAG A C5 1 HETATM 4201 C C6 . NAG G 3 . ? -22.184 -10.677 2.122 1.00 34.96 ? 502 NAG A C6 1 HETATM 4202 C C7 . NAG G 3 . ? -23.777 -14.353 -3.160 1.00 24.57 ? 502 NAG A C7 1 HETATM 4203 C C8 . NAG G 3 . ? -23.861 -14.655 -4.651 1.00 26.32 ? 502 NAG A C8 1 HETATM 4204 N N2 . NAG G 3 . ? -23.409 -13.136 -2.815 1.00 26.92 ? 502 NAG A N2 1 HETATM 4205 O O3 . NAG G 3 . ? -24.878 -10.924 -1.997 1.00 37.56 ? 502 NAG A O3 1 HETATM 4206 O O4 . NAG G 3 . ? -23.442 -9.315 -0.070 1.00 33.67 ? 502 NAG A O4 1 HETATM 4207 O O5 . NAG G 3 . ? -21.959 -12.548 0.547 1.00 28.46 ? 502 NAG A O5 1 HETATM 4208 O O6 . NAG G 3 . ? -20.997 -11.135 2.774 1.00 41.92 ? 502 NAG A O6 1 HETATM 4209 O O7 . NAG G 3 . ? -23.999 -15.141 -2.271 1.00 22.40 ? 502 NAG A O7 1 HETATM 4210 P P . PO4 H 4 . ? -4.924 -0.915 7.278 1.00 23.79 ? 601 PO4 A P 1 HETATM 4211 O O1 . PO4 H 4 . ? -5.110 -2.090 6.334 1.00 21.52 ? 601 PO4 A O1 1 HETATM 4212 O O2 . PO4 H 4 . ? -5.989 0.167 7.442 1.00 24.77 ? 601 PO4 A O2 1 HETATM 4213 O O3 . PO4 H 4 . ? -3.677 -0.035 6.984 1.00 16.97 ? 601 PO4 A O3 1 HETATM 4214 O O4 . PO4 H 4 . ? -4.783 -1.635 8.673 1.00 23.29 ? 601 PO4 A O4 1 HETATM 4215 P P . AMP I 5 . ? -18.346 3.642 5.547 1.00 44.29 ? 701 AMP A P 1 HETATM 4216 O O1P . AMP I 5 . ? -17.733 4.035 4.172 1.00 41.10 ? 701 AMP A O1P 1 HETATM 4217 O O2P . AMP I 5 . ? -18.228 4.749 6.578 1.00 44.64 ? 701 AMP A O2P 1 HETATM 4218 O O3P . AMP I 5 . ? -19.772 3.042 5.510 1.00 42.55 ? 701 AMP A O3P 1 HETATM 4219 O "O5'" . AMP I 5 . ? -17.321 2.536 6.101 1.00 38.69 ? 701 AMP A "O5'" 1 HETATM 4220 C "C5'" . AMP I 5 . ? -17.495 1.958 7.401 1.00 36.19 ? 701 AMP A "C5'" 1 HETATM 4221 C "C4'" . AMP I 5 . ? -16.159 1.658 8.022 1.00 36.04 ? 701 AMP A "C4'" 1 HETATM 4222 O "O4'" . AMP I 5 . ? -15.313 0.912 7.113 1.00 31.41 ? 701 AMP A "O4'" 1 HETATM 4223 C "C3'" . AMP I 5 . ? -15.360 2.882 8.469 1.00 38.15 ? 701 AMP A "C3'" 1 HETATM 4224 O "O3'" . AMP I 5 . ? -14.777 2.661 9.752 1.00 41.36 ? 701 AMP A "O3'" 1 HETATM 4225 C "C2'" . AMP I 5 . ? -14.283 3.013 7.397 1.00 32.61 ? 701 AMP A "C2'" 1 HETATM 4226 O "O2'" . AMP I 5 . ? -13.078 3.456 8.004 1.00 37.82 ? 701 AMP A "O2'" 1 HETATM 4227 C "C1'" . AMP I 5 . ? -14.081 1.578 6.913 1.00 27.09 ? 701 AMP A "C1'" 1 HETATM 4228 N N9 . AMP I 5 . ? -13.750 1.504 5.483 1.00 19.38 ? 701 AMP A N9 1 HETATM 4229 C C8 . AMP I 5 . ? -14.501 2.002 4.450 1.00 19.41 ? 701 AMP A C8 1 HETATM 4230 N N7 . AMP I 5 . ? -13.977 1.809 3.263 1.00 17.33 ? 701 AMP A N7 1 HETATM 4231 C C5 . AMP I 5 . ? -12.800 1.123 3.535 1.00 16.98 ? 701 AMP A C5 1 HETATM 4232 C C6 . AMP I 5 . ? -11.786 0.615 2.699 1.00 16.79 ? 701 AMP A C6 1 HETATM 4233 N N6 . AMP I 5 . ? -11.850 0.649 1.382 1.00 16.53 ? 701 AMP A N6 1 HETATM 4234 N N1 . AMP I 5 . ? -10.712 0.011 3.283 1.00 19.59 ? 701 AMP A N1 1 HETATM 4235 C C2 . AMP I 5 . ? -10.701 -0.093 4.627 1.00 17.45 ? 701 AMP A C2 1 HETATM 4236 N N3 . AMP I 5 . ? -11.630 0.309 5.510 1.00 17.68 ? 701 AMP A N3 1 HETATM 4237 C C4 . AMP I 5 . ? -12.654 0.921 4.898 1.00 18.62 ? 701 AMP A C4 1 HETATM 4238 NA NA . NA J 6 . ? -17.080 6.097 3.164 1.00 21.43 1 801 NA A NA 1 HETATM 4239 NA NA . NA K 6 . ? 11.762 21.042 0.251 1.00 19.44 1 802 NA A NA 1 HETATM 4240 CA CA . CA L 7 . ? 9.339 5.392 -17.361 1.00 15.84 2 901 CA A CA 1 HETATM 4241 CA CA . CA M 7 . ? -1.854 -8.473 12.314 0.50 21.76 2 902 CA A CA 1 HETATM 4242 CA CA . CA N 7 . ? 9.819 -2.987 -20.474 1.00 26.87 2 903 CA A CA 1 HETATM 4243 C C1 . BTB O 8 . ? 9.093 8.662 -18.643 1.00 25.81 ? 1001 BTB A C1 1 HETATM 4244 O O1 . BTB O 8 . ? 8.236 7.639 -18.079 1.00 25.98 ? 1001 BTB A O1 1 HETATM 4245 C C2 . BTB O 8 . ? 10.592 8.262 -18.593 1.00 24.61 ? 1001 BTB A C2 1 HETATM 4246 C C3 . BTB O 8 . ? 11.482 9.520 -18.698 1.00 24.87 ? 1001 BTB A C3 1 HETATM 4247 O O3 . BTB O 8 . ? 11.188 10.106 -19.949 1.00 34.02 ? 1001 BTB A O3 1 HETATM 4248 C C4 . BTB O 8 . ? 10.770 7.302 -19.763 1.00 22.90 ? 1001 BTB A C4 1 HETATM 4249 O O4 . BTB O 8 . ? 10.045 6.071 -19.587 1.00 24.89 ? 1001 BTB A O4 1 HETATM 4250 N N . BTB O 8 . ? 10.949 7.581 -17.294 1.00 20.75 ? 1001 BTB A N 1 HETATM 4251 C C5 . BTB O 8 . ? 12.374 7.133 -17.216 1.00 20.55 ? 1001 BTB A C5 1 HETATM 4252 C C6 . BTB O 8 . ? 12.544 5.704 -16.722 1.00 20.58 ? 1001 BTB A C6 1 HETATM 4253 O O6 . BTB O 8 . ? 11.675 4.828 -17.403 1.00 17.97 ? 1001 BTB A O6 1 HETATM 4254 C C7 . BTB O 8 . ? 10.601 8.403 -16.100 1.00 20.17 ? 1001 BTB A C7 1 HETATM 4255 C C8 . BTB O 8 . ? 10.022 7.609 -14.914 1.00 19.17 ? 1001 BTB A C8 1 HETATM 4256 O O8 . BTB O 8 . ? 9.636 6.294 -15.323 1.00 17.08 ? 1001 BTB A O8 1 HETATM 4257 C C1 . BTB P 8 . ? -0.574 -12.146 15.067 0.50 17.87 ? 1002 BTB A C1 1 HETATM 4258 O O1 . BTB P 8 . ? -1.080 -13.485 14.862 0.50 17.67 ? 1002 BTB A O1 1 HETATM 4259 C C2 . BTB P 8 . ? -1.238 -11.170 14.118 0.50 16.87 ? 1002 BTB A C2 1 HETATM 4260 C C3 . BTB P 8 . ? -2.693 -10.973 14.485 0.50 17.60 ? 1002 BTB A C3 1 HETATM 4261 O O3 . BTB P 8 . ? -3.372 -10.533 13.339 0.50 18.15 ? 1002 BTB A O3 1 HETATM 4262 C C4 . BTB P 8 . ? -1.153 -11.698 12.699 0.50 16.33 ? 1002 BTB A C4 1 HETATM 4263 O O4 . BTB P 8 . ? -1.083 -10.600 11.788 0.50 14.41 ? 1002 BTB A O4 1 HETATM 4264 N N . BTB P 8 . ? -0.603 -9.832 14.160 0.50 17.95 ? 1002 BTB A N 1 HETATM 4265 C C5 . BTB P 8 . ? -0.626 -9.177 15.477 0.50 18.44 ? 1002 BTB A C5 1 HETATM 4266 C C6 . BTB P 8 . ? -1.915 -8.385 15.524 0.50 18.66 ? 1002 BTB A C6 1 HETATM 4267 O O6 . BTB P 8 . ? -1.900 -7.397 14.494 0.50 18.79 ? 1002 BTB A O6 1 HETATM 4268 C C7 . BTB P 8 . ? 0.759 -9.891 13.653 0.50 18.98 ? 1002 BTB A C7 1 HETATM 4269 C C8 . BTB P 8 . ? 1.246 -8.535 13.216 0.50 18.73 ? 1002 BTB A C8 1 HETATM 4270 O O8 . BTB P 8 . ? 0.357 -7.907 12.285 0.50 20.48 ? 1002 BTB A O8 1 HETATM 4271 O OH2 . ETE Q 9 . ? 21.519 19.407 1.260 1.00 38.10 ? 1101 ETE A OH2 1 HETATM 4272 C C12 . ETE Q 9 . ? 21.340 20.614 0.502 1.00 32.91 ? 1101 ETE A C12 1 HETATM 4273 C C22 . ETE Q 9 . ? 20.557 20.341 -0.774 1.00 35.37 ? 1101 ETE A C22 1 HETATM 4274 O OH3 . ETE Q 9 . ? 19.238 19.815 -0.539 1.00 31.77 ? 1101 ETE A OH3 1 HETATM 4275 C C13 . ETE Q 9 . ? 17.527 20.705 -2.019 1.00 28.97 ? 1101 ETE A C13 1 HETATM 4276 C C23 . ETE Q 9 . ? 18.508 19.577 -1.750 1.00 29.24 ? 1101 ETE A C23 1 HETATM 4277 O OH4 . ETE Q 9 . ? 16.553 20.832 -0.980 1.00 25.42 ? 1101 ETE A OH4 1 HETATM 4278 C C14 . ETE Q 9 . ? 14.976 19.696 0.256 1.00 24.38 ? 1101 ETE A C14 1 HETATM 4279 C C24 . ETE Q 9 . ? 15.419 19.994 -1.150 1.00 25.09 ? 1101 ETE A C24 1 HETATM 4280 O OH5 . ETE Q 9 . ? 14.468 20.934 0.768 1.00 20.32 ? 1101 ETE A OH5 1 HETATM 4281 C C15 . ETE Q 9 . ? 13.908 22.247 2.667 1.00 20.47 ? 1101 ETE A C15 1 HETATM 4282 C C25 . ETE Q 9 . ? 14.449 20.911 2.185 1.00 21.82 ? 1101 ETE A C25 1 HETATM 4283 O OH6 . ETE Q 9 . ? 12.586 22.460 2.176 1.00 23.26 ? 1101 ETE A OH6 1 HETATM 4284 C C26 . ETE Q 9 . ? 12.157 23.788 2.505 1.00 25.24 ? 1101 ETE A C26 1 HETATM 4285 ZN ZN . ZN R 2 . ? -5.307 13.733 -22.619 1.00 10.04 2 401 ZN B ZN 1 HETATM 4286 ZN ZN . ZN S 2 . ? -4.390 10.488 -23.179 1.00 9.52 2 402 ZN B ZN 1 HETATM 4287 ZN ZN . ZN T 2 . ? -0.973 15.052 -22.056 1.00 11.38 2 403 ZN B ZN 1 HETATM 4288 P P . PO4 U 4 . ? -2.979 12.540 -21.506 1.00 23.79 ? 601 PO4 B P 1 HETATM 4289 O O1 . PO4 U 4 . ? -4.322 12.123 -22.167 1.00 15.25 ? 601 PO4 B O1 1 HETATM 4290 O O2 . PO4 U 4 . ? -1.927 11.568 -22.037 1.00 27.53 ? 601 PO4 B O2 1 HETATM 4291 O O3 . PO4 U 4 . ? -2.722 14.010 -21.701 1.00 21.65 ? 601 PO4 B O3 1 HETATM 4292 O O4 . PO4 U 4 . ? -3.115 12.256 -20.000 1.00 24.18 ? 601 PO4 B O4 1 HETATM 4293 P P . AMP V 5 . ? 10.449 9.951 -25.370 1.00 48.10 ? 701 AMP B P 1 HETATM 4294 O O1P . AMP V 5 . ? 9.811 10.373 -26.701 1.00 45.27 ? 701 AMP B O1P 1 HETATM 4295 O O2P . AMP V 5 . ? 10.416 8.461 -25.192 1.00 50.33 ? 701 AMP B O2P 1 HETATM 4296 O O3P . AMP V 5 . ? 11.706 10.675 -24.994 1.00 44.32 ? 701 AMP B O3P 1 HETATM 4297 O "O5'" . AMP V 5 . ? 9.388 10.578 -24.289 1.00 45.91 ? 701 AMP B "O5'" 1 HETATM 4298 C "C5'" . AMP V 5 . ? 9.523 10.446 -22.860 1.00 40.25 ? 701 AMP B "C5'" 1 HETATM 4299 C "C4'" . AMP V 5 . ? 8.180 10.221 -22.218 1.00 34.34 ? 701 AMP B "C4'" 1 HETATM 4300 O "O4'" . AMP V 5 . ? 7.237 11.253 -22.596 1.00 34.09 ? 701 AMP B "O4'" 1 HETATM 4301 C "C3'" . AMP V 5 . ? 7.511 8.900 -22.538 1.00 35.37 ? 701 AMP B "C3'" 1 HETATM 4302 O "O3'" . AMP V 5 . ? 6.798 8.427 -21.392 1.00 37.20 ? 701 AMP B "O3'" 1 HETATM 4303 C "C2'" . AMP V 5 . ? 6.569 9.276 -23.678 1.00 31.12 ? 701 AMP B "C2'" 1 HETATM 4304 O "O2'" . AMP V 5 . ? 5.515 8.332 -23.607 1.00 33.70 ? 701 AMP B "O2'" 1 HETATM 4305 C "C1'" . AMP V 5 . ? 6.132 10.698 -23.278 1.00 27.24 ? 701 AMP B "C1'" 1 HETATM 4306 N N9 . AMP V 5 . ? 5.829 11.588 -24.401 1.00 20.26 ? 701 AMP B N9 1 HETATM 4307 C C8 . AMP V 5 . ? 6.597 11.775 -25.523 1.00 17.63 ? 701 AMP B C8 1 HETATM 4308 N N7 . AMP V 5 . ? 6.093 12.627 -26.386 1.00 16.04 ? 701 AMP B N7 1 HETATM 4309 C C5 . AMP V 5 . ? 4.910 13.031 -25.797 1.00 16.48 ? 701 AMP B C5 1 HETATM 4310 C C6 . AMP V 5 . ? 3.883 13.877 -26.232 1.00 17.01 ? 701 AMP B C6 1 HETATM 4311 N N6 . AMP V 5 . ? 3.945 14.593 -27.351 1.00 15.92 ? 701 AMP B N6 1 HETATM 4312 N N1 . AMP V 5 . ? 2.774 13.977 -25.458 1.00 18.86 ? 701 AMP B N1 1 HETATM 4313 C C2 . AMP V 5 . ? 2.731 13.292 -24.306 1.00 17.85 ? 701 AMP B C2 1 HETATM 4314 N N3 . AMP V 5 . ? 3.673 12.511 -23.761 1.00 17.17 ? 701 AMP B N3 1 HETATM 4315 C C4 . AMP V 5 . ? 4.732 12.403 -24.565 1.00 19.23 ? 701 AMP B C4 1 HETATM 4316 NA NA . NA W 6 . ? 9.092 9.104 -28.807 1.00 23.06 1 801 NA B NA 1 HETATM 4317 CA CA . CA X 7 . ? -17.263 21.863 -45.051 1.00 17.15 2 901 CA B CA 1 HETATM 4318 CA CA . CA Y 7 . ? -6.069 16.058 -12.813 1.00 23.00 2 902 CA B CA 1 HETATM 4319 C C1 . BTB Z 8 . ? -19.489 19.465 -48.531 1.00 21.14 ? 1001 BTB B C1 1 HETATM 4320 O O1 . BTB Z 8 . ? -19.042 19.486 -49.884 1.00 25.13 ? 1001 BTB B O1 1 HETATM 4321 C C2 . BTB Z 8 . ? -18.548 20.337 -47.716 1.00 20.42 ? 1001 BTB B C2 1 HETATM 4322 C C3 . BTB Z 8 . ? -18.701 21.773 -48.115 1.00 19.86 ? 1001 BTB B C3 1 HETATM 4323 O O3 . BTB Z 8 . ? -17.885 22.609 -47.265 1.00 21.25 ? 1001 BTB B O3 1 HETATM 4324 C C4 . BTB Z 8 . ? -17.046 20.008 -47.956 1.00 22.38 ? 1001 BTB B C4 1 HETATM 4325 O O4 . BTB Z 8 . ? -16.261 20.600 -46.884 1.00 21.05 ? 1001 BTB B O4 1 HETATM 4326 N N . BTB Z 8 . ? -18.899 20.176 -46.221 1.00 18.23 ? 1001 BTB B N 1 HETATM 4327 C C5 . BTB Z 8 . ? -20.300 20.504 -45.852 1.00 19.01 ? 1001 BTB B C5 1 HETATM 4328 C C6 . BTB Z 8 . ? -20.406 21.348 -44.582 1.00 19.84 ? 1001 BTB B C6 1 HETATM 4329 O O6 . BTB Z 8 . ? -19.622 22.556 -44.753 1.00 20.31 ? 1001 BTB B O6 1 HETATM 4330 C C7 . BTB Z 8 . ? -18.590 18.801 -45.703 1.00 19.24 ? 1001 BTB B C7 1 HETATM 4331 C C8 . BTB Z 8 . ? -17.868 18.754 -44.337 1.00 21.05 ? 1001 BTB B C8 1 HETATM 4332 O O8 . BTB Z 8 . ? -17.443 20.035 -43.823 1.00 20.94 ? 1001 BTB B O8 1 HETATM 4333 C C1 . BTB AA 8 . ? -5.370 17.330 -9.731 1.00 22.75 ? 1002 BTB B C1 1 HETATM 4334 O O1 . BTB AA 8 . ? -4.730 16.943 -10.990 1.00 23.84 ? 1002 BTB B O1 1 HETATM 4335 C C2 . BTB AA 8 . ? -6.906 17.429 -9.937 1.00 24.65 ? 1002 BTB B C2 1 HETATM 4336 C C3 . BTB AA 8 . ? -7.136 18.616 -10.892 1.00 24.70 ? 1002 BTB B C3 1 HETATM 4337 O O3 . BTB AA 8 . ? -6.766 18.269 -12.265 1.00 21.06 ? 1002 BTB B O3 1 HETATM 4338 C C4 . BTB AA 8 . ? -7.586 17.732 -8.605 1.00 27.21 ? 1002 BTB B C4 1 HETATM 4339 O O4 . BTB AA 8 . ? -7.060 18.983 -8.148 1.00 32.00 ? 1002 BTB B O4 1 HETATM 4340 N N . BTB AA 8 . ? -7.476 16.206 -10.604 1.00 22.76 ? 1002 BTB B N 1 HETATM 4341 C C5 . BTB AA 8 . ? -7.349 14.896 -9.892 1.00 22.86 ? 1002 BTB B C5 1 HETATM 4342 C C6 . BTB AA 8 . ? -6.173 14.010 -10.322 1.00 23.70 ? 1002 BTB B C6 1 HETATM 4343 O O6 . BTB AA 8 . ? -5.917 13.887 -11.730 1.00 20.26 ? 1002 BTB B O6 1 HETATM 4344 C C7 . BTB AA 8 . ? -8.956 16.320 -10.941 1.00 24.95 ? 1002 BTB B C7 1 HETATM 4345 C C8 . BTB AA 8 . ? -9.352 15.413 -12.136 1.00 27.60 ? 1002 BTB B C8 1 HETATM 4346 O O8 . BTB AA 8 . ? -8.408 15.645 -13.229 1.00 28.66 ? 1002 BTB B O8 1 HETATM 4347 O O . HOH BA 10 . ? -2.089 15.684 10.797 0.50 18.02 ? 1501 HOH A O 1 HETATM 4348 O O . HOH BA 10 . ? 3.748 -4.651 -19.210 0.50 21.48 ? 1502 HOH A O 1 HETATM 4349 O O . HOH BA 10 . ? 0.431 -8.465 9.304 0.50 10.64 ? 1503 HOH A O 1 HETATM 4350 O O . HOH BA 10 . ? 21.785 3.178 3.397 0.50 18.17 ? 1504 HOH A O 1 HETATM 4351 O O . HOH BA 10 . ? 3.681 -9.853 -14.381 0.50 19.14 ? 1505 HOH A O 1 HETATM 4352 O O . HOH BA 10 . ? 12.192 -1.514 -16.416 1.00 23.03 ? 1506 HOH A O 1 HETATM 4353 O O . HOH BA 10 . ? -1.371 -6.943 11.139 0.50 15.42 ? 1507 HOH A O 1 HETATM 4354 O O . HOH BA 10 . ? -11.967 -19.531 13.990 1.00 41.58 ? 1508 HOH A O 1 HETATM 4355 O O . HOH BA 10 . ? -5.068 -25.175 -9.264 1.00 26.95 ? 1509 HOH A O 1 HETATM 4356 O O . HOH BA 10 . ? 2.886 -19.507 -0.905 1.00 32.65 ? 1510 HOH A O 1 HETATM 4357 O O . HOH BA 10 . ? 19.845 -1.488 -2.669 1.00 29.45 ? 1511 HOH A O 1 HETATM 4358 O O . HOH BA 10 . ? -0.040 -7.185 -13.068 1.00 31.54 ? 1512 HOH A O 1 HETATM 4359 O O . HOH BA 10 . ? -11.818 -13.580 -7.480 1.00 28.98 ? 1513 HOH A O 1 HETATM 4360 O O . HOH BA 10 . ? 9.529 -7.307 -15.600 1.00 28.29 ? 1514 HOH A O 1 HETATM 4361 O O . HOH BA 10 . ? -18.873 -16.703 -8.367 1.00 28.39 ? 1515 HOH A O 1 HETATM 4362 O O . HOH BA 10 . ? -5.942 17.723 13.105 1.00 47.46 ? 1516 HOH A O 1 HETATM 4363 O O . HOH BA 10 . ? 5.623 -7.211 12.099 1.00 36.09 ? 1517 HOH A O 1 HETATM 4364 O O . HOH BA 10 . ? -10.869 5.084 16.380 1.00 35.10 ? 1518 HOH A O 1 HETATM 4365 O O . HOH BA 10 . ? -11.065 -23.145 -6.679 1.00 30.51 ? 1519 HOH A O 1 HETATM 4366 O O . HOH BA 10 . ? -5.634 -7.354 9.248 1.00 28.32 ? 1520 HOH A O 1 HETATM 4367 O O . HOH BA 10 . ? -22.001 -8.660 5.633 1.00 32.78 ? 1521 HOH A O 1 HETATM 4368 O O . HOH BA 10 . ? 3.401 -0.686 -15.882 0.50 13.53 ? 1522 HOH A O 1 HETATM 4369 O O . HOH BA 10 . ? -0.220 -15.393 16.292 1.00 37.79 ? 1523 HOH A O 1 HETATM 4370 O O . HOH BA 10 . ? 9.862 -13.820 4.323 1.00 24.64 ? 1524 HOH A O 1 HETATM 4371 O O . HOH BA 10 . ? -2.201 17.729 -6.924 1.00 15.62 ? 1525 HOH A O 1 HETATM 4372 O O . HOH BA 10 . ? -6.907 14.872 3.897 1.00 34.70 ? 1526 HOH A O 1 HETATM 4373 O O . HOH BA 10 . ? 16.705 -9.167 -15.650 1.00 24.92 ? 1527 HOH A O 1 HETATM 4374 O O . HOH BA 10 . ? 12.145 5.442 12.640 1.00 15.23 ? 1528 HOH A O 1 HETATM 4375 O O . HOH BA 10 . ? 4.061 10.825 16.365 1.00 22.73 ? 1529 HOH A O 1 HETATM 4376 O O . HOH BA 10 . ? -16.480 9.760 16.940 1.00 43.52 ? 1530 HOH A O 1 HETATM 4377 O O . HOH BA 10 . ? 19.032 16.462 6.028 1.00 46.95 ? 1531 HOH A O 1 HETATM 4378 O O . HOH BA 10 . ? 4.286 -11.269 -8.657 1.00 15.87 ? 1532 HOH A O 1 HETATM 4379 O O . HOH BA 10 . ? 2.780 19.521 -12.169 1.00 25.03 ? 1533 HOH A O 1 HETATM 4380 O O . HOH BA 10 . ? 17.426 -2.481 12.125 1.00 34.86 ? 1534 HOH A O 1 HETATM 4381 O O . HOH BA 10 . ? -13.758 -20.282 12.190 1.00 29.47 ? 1535 HOH A O 1 HETATM 4382 O O . HOH BA 10 . ? 3.593 -19.702 5.334 1.00 28.15 ? 1536 HOH A O 1 HETATM 4383 O O . HOH BA 10 . ? -3.898 7.100 10.763 1.00 10.36 ? 1537 HOH A O 1 HETATM 4384 O O . HOH BA 10 . ? 17.819 12.955 -2.495 1.00 34.32 ? 1538 HOH A O 1 HETATM 4385 O O . HOH BA 10 . ? 22.089 3.651 8.687 1.00 27.94 ? 1539 HOH A O 1 HETATM 4386 O O . HOH BA 10 . ? -0.742 -2.948 -13.203 1.00 16.29 ? 1540 HOH A O 1 HETATM 4387 O O . HOH BA 10 . ? 5.457 1.725 13.213 1.00 17.83 ? 1541 HOH A O 1 HETATM 4388 O O . HOH BA 10 . ? -16.481 6.174 5.229 1.00 40.28 ? 1542 HOH A O 1 HETATM 4389 O O . HOH BA 10 . ? -5.342 -6.374 -13.537 1.00 33.71 ? 1543 HOH A O 1 HETATM 4390 O O . HOH BA 10 . ? 24.758 11.071 -0.957 1.00 39.17 ? 1544 HOH A O 1 HETATM 4391 O O . HOH BA 10 . ? 4.654 -9.232 -16.950 0.50 22.34 ? 1545 HOH A O 1 HETATM 4392 O O . HOH BA 10 . ? -2.875 -22.383 1.345 1.00 34.94 ? 1546 HOH A O 1 HETATM 4393 O O . HOH BA 10 . ? -18.708 4.904 1.641 1.00 28.45 ? 1547 HOH A O 1 HETATM 4394 O O . HOH BA 10 . ? -15.323 -18.219 1.537 1.00 14.37 ? 1548 HOH A O 1 HETATM 4395 O O . HOH BA 10 . ? -3.029 -22.576 -2.390 1.00 20.86 ? 1549 HOH A O 1 HETATM 4396 O O . HOH BA 10 . ? -19.918 -13.529 2.453 1.00 27.97 ? 1550 HOH A O 1 HETATM 4397 O O . HOH BA 10 . ? 12.439 20.273 13.469 1.00 44.95 ? 1551 HOH A O 1 HETATM 4398 O O . HOH BA 10 . ? -11.020 13.519 8.725 1.00 17.81 ? 1552 HOH A O 1 HETATM 4399 O O . HOH BA 10 . ? -4.638 -4.059 -14.394 1.00 27.96 ? 1553 HOH A O 1 HETATM 4400 O O . HOH BA 10 . ? 5.771 8.613 -18.252 1.00 31.58 ? 1554 HOH A O 1 HETATM 4401 O O . HOH BA 10 . ? 23.300 7.416 3.832 1.00 30.47 ? 1555 HOH A O 1 HETATM 4402 O O . HOH BA 10 . ? -26.371 -15.695 -1.206 1.00 32.51 ? 1556 HOH A O 1 HETATM 4403 O O . HOH BA 10 . ? -11.090 1.738 8.467 1.00 43.40 ? 1557 HOH A O 1 HETATM 4404 O O . HOH BA 10 . ? 17.880 3.426 2.906 1.00 14.89 ? 1558 HOH A O 1 HETATM 4405 O O . HOH BA 10 . ? 12.047 19.851 -1.537 1.00 18.97 ? 1559 HOH A O 1 HETATM 4406 O O . HOH BA 10 . ? -1.338 -5.026 15.592 1.00 43.11 ? 1560 HOH A O 1 HETATM 4407 O O . HOH BA 10 . ? -10.549 -12.027 10.950 1.00 19.19 ? 1561 HOH A O 1 HETATM 4408 O O . HOH BA 10 . ? 2.905 5.132 9.763 1.00 8.19 ? 1562 HOH A O 1 HETATM 4409 O O . HOH BA 10 . ? -4.091 -24.827 -4.758 1.00 31.46 ? 1563 HOH A O 1 HETATM 4410 O O . HOH BA 10 . ? 14.110 5.721 -5.896 1.00 35.24 ? 1564 HOH A O 1 HETATM 4411 O O . HOH BA 10 . ? -14.756 19.744 -7.259 1.00 30.81 ? 1565 HOH A O 1 HETATM 4412 O O . HOH BA 10 . ? 4.829 15.463 13.577 1.00 19.60 ? 1566 HOH A O 1 HETATM 4413 O O . HOH BA 10 . ? -25.240 -17.516 -2.450 1.00 29.50 ? 1567 HOH A O 1 HETATM 4414 O O . HOH BA 10 . ? -19.288 -16.375 3.127 1.00 39.82 ? 1568 HOH A O 1 HETATM 4415 O O . HOH BA 10 . ? -7.232 18.531 -3.200 1.00 25.73 ? 1569 HOH A O 1 HETATM 4416 O O . HOH BA 10 . ? 9.232 3.647 -18.748 1.00 17.30 ? 1570 HOH A O 1 HETATM 4417 O O . HOH BA 10 . ? 0.127 -1.359 9.855 1.00 17.58 ? 1571 HOH A O 1 HETATM 4418 O O . HOH BA 10 . ? 2.134 -8.748 10.443 0.50 15.25 ? 1572 HOH A O 1 HETATM 4419 O O . HOH BA 10 . ? -14.690 13.930 -2.825 1.00 29.09 ? 1573 HOH A O 1 HETATM 4420 O O . HOH BA 10 . ? 15.685 1.424 -10.354 1.00 32.11 ? 1574 HOH A O 1 HETATM 4421 O O . HOH BA 10 . ? -3.774 11.505 -13.049 0.50 20.81 ? 1575 HOH A O 1 HETATM 4422 O O . HOH BA 10 . ? -20.530 -11.440 -7.615 1.00 31.82 ? 1576 HOH A O 1 HETATM 4423 O O . HOH BA 10 . ? 6.765 -15.466 -2.186 1.00 25.57 ? 1577 HOH A O 1 HETATM 4424 O O . HOH BA 10 . ? -10.286 5.542 20.595 1.00 24.36 ? 1578 HOH A O 1 HETATM 4425 O O . HOH BA 10 . ? -6.340 4.113 -1.266 1.00 13.15 ? 1579 HOH A O 1 HETATM 4426 O O . HOH BA 10 . ? 0.777 -18.500 -6.731 1.00 38.77 ? 1580 HOH A O 1 HETATM 4427 O O . HOH BA 10 . ? -9.080 1.738 -11.806 1.00 12.36 ? 1581 HOH A O 1 HETATM 4428 O O . HOH BA 10 . ? -3.305 -13.754 -11.008 1.00 35.31 ? 1582 HOH A O 1 HETATM 4429 O O . HOH BA 10 . ? -10.542 -6.688 8.442 1.00 19.39 ? 1583 HOH A O 1 HETATM 4430 O O . HOH BA 10 . ? -4.876 -4.372 8.695 1.00 20.54 ? 1584 HOH A O 1 HETATM 4431 O O . HOH BA 10 . ? -16.696 7.237 -1.578 1.00 18.08 ? 1585 HOH A O 1 HETATM 4432 O O . HOH BA 10 . ? 0.902 12.966 -12.031 1.00 22.54 ? 1586 HOH A O 1 HETATM 4433 O O . HOH BA 10 . ? 3.174 19.502 -4.461 1.00 22.34 ? 1587 HOH A O 1 HETATM 4434 O O . HOH BA 10 . ? -18.739 -0.458 -5.340 1.00 19.78 ? 1588 HOH A O 1 HETATM 4435 O O . HOH BA 10 . ? -13.886 -23.154 11.633 1.00 36.87 ? 1589 HOH A O 1 HETATM 4436 O O . HOH BA 10 . ? -8.862 3.311 8.171 1.00 19.42 ? 1590 HOH A O 1 HETATM 4437 O O . HOH BA 10 . ? 19.043 2.628 -0.820 1.00 26.19 ? 1591 HOH A O 1 HETATM 4438 O O . HOH BA 10 . ? -10.917 -0.266 11.242 1.00 34.99 ? 1592 HOH A O 1 HETATM 4439 O O . HOH BA 10 . ? -3.261 18.089 13.731 1.00 47.77 ? 1593 HOH A O 1 HETATM 4440 O O . HOH BA 10 . ? 13.880 -12.490 -5.663 1.00 18.81 ? 1594 HOH A O 1 HETATM 4441 O O . HOH BA 10 . ? 19.647 2.779 7.427 1.00 35.64 ? 1595 HOH A O 1 HETATM 4442 O O . HOH BA 10 . ? 11.726 18.991 1.350 1.00 15.66 ? 1596 HOH A O 1 HETATM 4443 O O . HOH BA 10 . ? -17.209 -18.774 3.712 1.00 26.76 ? 1597 HOH A O 1 HETATM 4444 O O . HOH BA 10 . ? 0.359 -7.827 6.505 1.00 10.98 ? 1598 HOH A O 1 HETATM 4445 O O . HOH BA 10 . ? -5.815 -1.215 11.233 1.00 38.45 ? 1599 HOH A O 1 HETATM 4446 O O . HOH BA 10 . ? 6.740 3.041 -20.013 1.00 29.19 ? 1600 HOH A O 1 HETATM 4447 O O . HOH BA 10 . ? 3.828 1.047 4.241 1.00 9.83 ? 1601 HOH A O 1 HETATM 4448 O O . HOH BA 10 . ? -14.040 11.133 3.365 1.00 18.63 ? 1602 HOH A O 1 HETATM 4449 O O . HOH BA 10 . ? -22.248 4.373 -3.730 1.00 42.64 ? 1603 HOH A O 1 HETATM 4450 O O . HOH BA 10 . ? 3.655 6.354 -11.105 1.00 23.13 ? 1604 HOH A O 1 HETATM 4451 O O . HOH BA 10 . ? 11.399 15.745 13.034 1.00 28.12 ? 1605 HOH A O 1 HETATM 4452 O O . HOH BA 10 . ? -8.023 -1.690 6.789 1.00 16.21 ? 1203 HOH A O 1 HETATM 4453 O O . HOH BA 10 . ? -13.177 7.643 0.420 1.00 10.95 ? 1607 HOH A O 1 HETATM 4454 O O . HOH BA 10 . ? 1.060 15.352 -13.439 1.00 25.48 ? 1608 HOH A O 1 HETATM 4455 O O . HOH BA 10 . ? -11.642 12.028 18.874 1.00 33.79 ? 1609 HOH A O 1 HETATM 4456 O O . HOH BA 10 . ? 7.988 8.616 15.852 1.00 34.64 ? 1610 HOH A O 1 HETATM 4457 O O . HOH BA 10 . ? -11.748 8.184 2.879 1.00 8.64 ? 1611 HOH A O 1 HETATM 4458 O O . HOH BA 10 . ? 11.051 7.654 14.163 1.00 21.29 ? 1612 HOH A O 1 HETATM 4459 O O . HOH BA 10 . ? -9.825 -20.884 -3.426 1.00 18.09 ? 1613 HOH A O 1 HETATM 4460 O O . HOH BA 10 . ? -3.450 -22.959 -8.822 1.00 29.16 ? 1614 HOH A O 1 HETATM 4461 O O . HOH BA 10 . ? 2.250 -9.428 -15.591 0.50 24.17 ? 1615 HOH A O 1 HETATM 4462 O O . HOH BA 10 . ? 8.349 -15.778 0.401 1.00 32.96 ? 1616 HOH A O 1 HETATM 4463 O O . HOH BA 10 . ? -13.527 6.278 8.145 1.00 27.49 ? 1617 HOH A O 1 HETATM 4464 O O . HOH BA 10 . ? -20.273 1.171 -3.808 1.00 29.92 ? 1618 HOH A O 1 HETATM 4465 O O . HOH BA 10 . ? -9.825 -18.450 -7.662 1.00 29.37 ? 1619 HOH A O 1 HETATM 4466 O O . HOH BA 10 . ? 14.755 -13.318 0.918 1.00 32.13 ? 1620 HOH A O 1 HETATM 4467 O O . HOH BA 10 . ? 11.066 23.500 7.459 1.00 31.43 ? 1621 HOH A O 1 HETATM 4468 O O . HOH BA 10 . ? 17.545 13.692 14.065 1.00 38.44 ? 1622 HOH A O 1 HETATM 4469 O O . HOH BA 10 . ? 6.746 -10.491 -15.149 1.00 33.41 ? 1623 HOH A O 1 HETATM 4470 O O . HOH BA 10 . ? -18.198 1.691 2.428 0.50 17.66 ? 1624 HOH A O 1 HETATM 4471 O O . HOH BA 10 . ? 12.326 4.128 -12.565 1.00 34.40 ? 1625 HOH A O 1 HETATM 4472 O O . HOH BA 10 . ? 19.450 6.365 15.568 1.00 26.98 ? 1626 HOH A O 1 HETATM 4473 O O . HOH BA 10 . ? -9.749 4.559 -12.323 1.00 17.45 ? 1627 HOH A O 1 HETATM 4474 O O . HOH BA 10 . ? -4.127 -17.470 8.001 1.00 27.13 ? 1628 HOH A O 1 HETATM 4475 O O . HOH BA 10 . ? 8.200 -7.722 14.896 1.00 29.98 ? 1629 HOH A O 1 HETATM 4476 O O . HOH BA 10 . ? 7.244 26.667 5.296 1.00 45.25 ? 1630 HOH A O 1 HETATM 4477 O O . HOH BA 10 . ? 2.582 3.438 -13.506 1.00 24.12 ? 1631 HOH A O 1 HETATM 4478 O O . HOH BA 10 . ? -7.920 -6.102 7.952 1.00 32.02 ? 1632 HOH A O 1 HETATM 4479 O O . HOH BA 10 . ? -1.715 21.001 0.523 1.00 36.50 ? 1633 HOH A O 1 HETATM 4480 O O . HOH BA 10 . ? 8.499 17.074 13.082 1.00 30.96 ? 1634 HOH A O 1 HETATM 4481 O O . HOH BA 10 . ? -20.593 -4.704 -7.311 0.50 12.12 ? 1635 HOH A O 1 HETATM 4482 O O . HOH BA 10 . ? -9.161 -24.328 -4.371 1.00 19.34 ? 1636 HOH A O 1 HETATM 4483 O O . HOH BA 10 . ? -17.206 -12.675 -12.999 1.00 39.81 ? 1637 HOH A O 1 HETATM 4484 O O . HOH BA 10 . ? -26.829 -13.055 -1.427 1.00 29.92 ? 1638 HOH A O 1 HETATM 4485 O O . HOH BA 10 . ? -2.046 -16.361 7.525 1.00 31.13 ? 1639 HOH A O 1 HETATM 4486 O O . HOH BA 10 . ? -16.331 18.238 -4.143 1.00 29.50 ? 1640 HOH A O 1 HETATM 4487 O O . HOH BA 10 . ? 3.383 27.790 0.170 1.00 37.11 ? 1641 HOH A O 1 HETATM 4488 O O . HOH BA 10 . ? 11.855 -1.743 -19.261 1.00 32.24 ? 1642 HOH A O 1 HETATM 4489 O O . HOH BA 10 . ? 18.029 18.630 1.904 1.00 44.79 ? 1643 HOH A O 1 HETATM 4490 O O . HOH BA 10 . ? -23.001 -17.840 -1.504 1.00 41.77 ? 1644 HOH A O 1 HETATM 4491 O O . HOH BA 10 . ? 6.119 20.807 9.719 1.00 24.82 ? 1645 HOH A O 1 HETATM 4492 O O . HOH BA 10 . ? -2.407 9.379 19.671 1.00 17.92 ? 1646 HOH A O 1 HETATM 4493 O O . HOH BA 10 . ? -5.636 10.235 22.081 1.00 15.34 ? 1647 HOH A O 1 HETATM 4494 O O . HOH BA 10 . ? -12.584 -25.347 4.529 1.00 38.06 ? 1648 HOH A O 1 HETATM 4495 O O . HOH BA 10 . ? -13.731 -18.973 -11.192 1.00 52.21 ? 1649 HOH A O 1 HETATM 4496 O O . HOH BA 10 . ? -9.352 13.107 15.945 1.00 13.56 ? 1650 HOH A O 1 HETATM 4497 O O . HOH BA 10 . ? 22.372 10.734 -3.083 1.00 25.54 ? 1651 HOH A O 1 HETATM 4498 O O . HOH BA 10 . ? -12.034 14.038 -9.941 1.00 19.64 ? 1652 HOH A O 1 HETATM 4499 O O . HOH BA 10 . ? -21.651 -1.675 0.101 1.00 16.02 ? 1653 HOH A O 1 HETATM 4500 O O . HOH BA 10 . ? 0.927 13.403 17.248 1.00 33.90 ? 1654 HOH A O 1 HETATM 4501 O O . HOH BA 10 . ? 9.688 12.725 -19.760 1.00 38.88 ? 1655 HOH A O 1 HETATM 4502 O O . HOH BA 10 . ? -18.035 7.768 6.604 1.00 31.10 ? 1656 HOH A O 1 HETATM 4503 O O . HOH BA 10 . ? 15.855 16.576 6.953 1.00 39.95 ? 1657 HOH A O 1 HETATM 4504 O O . HOH BA 10 . ? 2.681 -1.153 15.824 0.50 24.25 ? 1658 HOH A O 1 HETATM 4505 O O . HOH BA 10 . ? -10.254 1.639 -14.531 1.00 24.77 ? 1659 HOH A O 1 HETATM 4506 O O . HOH BA 10 . ? 8.303 15.138 -10.383 1.00 18.61 ? 1660 HOH A O 1 HETATM 4507 O O . HOH BA 10 . ? -18.957 12.611 2.278 1.00 13.39 ? 1661 HOH A O 1 HETATM 4508 O O . HOH BA 10 . ? -7.836 -15.878 10.282 1.00 25.58 ? 1662 HOH A O 1 HETATM 4509 O O . HOH BA 10 . ? 6.796 -14.590 12.346 1.00 22.78 ? 1663 HOH A O 1 HETATM 4510 O O . HOH BA 10 . ? 14.464 18.665 11.498 1.00 38.20 ? 1664 HOH A O 1 HETATM 4511 O O . HOH BA 10 . ? 17.479 6.953 -6.693 1.00 48.48 ? 1665 HOH A O 1 HETATM 4512 O O . HOH BA 10 . ? -10.060 11.844 -10.654 1.00 8.80 ? 1666 HOH A O 1 HETATM 4513 O O . HOH BA 10 . ? -1.026 14.515 13.163 1.00 15.67 ? 1667 HOH A O 1 HETATM 4514 O O . HOH BA 10 . ? -21.913 -14.709 -8.159 1.00 32.31 ? 1668 HOH A O 1 HETATM 4515 O O . HOH BA 10 . ? -5.804 -12.596 -11.633 1.00 36.74 ? 1669 HOH A O 1 HETATM 4516 O O . HOH BA 10 . ? 21.884 -3.061 -6.202 0.50 17.15 ? 1670 HOH A O 1 HETATM 4517 O O . HOH BA 10 . ? 20.905 -6.687 -5.871 0.50 27.81 ? 1671 HOH A O 1 HETATM 4518 O O . HOH BA 10 . ? 16.915 -12.451 2.931 1.00 38.63 ? 1672 HOH A O 1 HETATM 4519 O O . HOH BA 10 . ? -20.587 7.267 -10.606 1.00 40.45 ? 1673 HOH A O 1 HETATM 4520 O O . HOH BA 10 . ? -13.084 -2.007 -15.733 1.00 24.79 ? 1674 HOH A O 1 HETATM 4521 O O . HOH BA 10 . ? 11.483 -9.626 14.393 1.00 25.27 ? 1675 HOH A O 1 HETATM 4522 O O . HOH BA 10 . ? 2.702 2.324 17.000 1.00 29.53 ? 1676 HOH A O 1 HETATM 4523 O O . HOH BA 10 . ? 20.427 -1.164 12.955 1.00 17.85 ? 1677 HOH A O 1 HETATM 4524 O O . HOH BA 10 . ? 6.057 5.867 16.121 1.00 32.85 ? 1678 HOH A O 1 HETATM 4525 O O . HOH BA 10 . ? -16.247 4.106 -12.111 1.00 39.26 ? 1679 HOH A O 1 HETATM 4526 O O . HOH BA 10 . ? -9.596 -4.688 -14.834 1.00 29.17 ? 1680 HOH A O 1 HETATM 4527 O O . HOH BA 10 . ? 0.519 -2.208 15.328 1.00 43.94 ? 1681 HOH A O 1 HETATM 4528 O O . HOH BA 10 . ? 2.624 -7.277 -17.411 1.00 36.99 ? 1682 HOH A O 1 HETATM 4529 O O . HOH BA 10 . ? -7.255 -18.533 9.455 1.00 37.68 ? 1683 HOH A O 1 HETATM 4530 O O . HOH BA 10 . ? 15.432 -3.810 -17.559 1.00 39.80 ? 1684 HOH A O 1 HETATM 4531 O O . HOH BA 10 . ? -3.511 11.753 -14.625 0.50 21.67 ? 1685 HOH A O 1 HETATM 4532 O O . HOH BA 10 . ? 3.676 -2.773 15.350 0.50 24.12 ? 1686 HOH A O 1 HETATM 4533 O O . HOH BA 10 . ? 0.269 8.120 18.643 1.00 32.36 ? 1687 HOH A O 1 HETATM 4534 O O . HOH BA 10 . ? 18.158 -0.878 3.938 1.00 23.67 ? 1688 HOH A O 1 HETATM 4535 O O . HOH BA 10 . ? -20.000 1.171 2.701 0.50 21.34 ? 1689 HOH A O 1 HETATM 4536 O O . HOH BA 10 . ? -16.371 -1.675 9.023 1.00 44.83 ? 1690 HOH A O 1 HETATM 4537 O O . HOH BA 10 . ? -5.589 -20.471 -9.653 1.00 45.08 ? 1691 HOH A O 1 HETATM 4538 O O . HOH BA 10 . ? -1.346 12.262 -15.435 0.50 28.60 ? 1692 HOH A O 1 HETATM 4539 O O . HOH BA 10 . ? 6.120 -1.920 14.774 1.00 39.86 ? 1693 HOH A O 1 HETATM 4540 O O . HOH BA 10 . ? 20.197 18.481 6.943 0.50 31.35 ? 1694 HOH A O 1 HETATM 4541 O O . HOH BA 10 . ? -12.259 15.692 -3.394 1.00 37.79 ? 1695 HOH A O 1 HETATM 4542 O O . HOH BA 10 . ? -6.433 -14.113 11.597 1.00 29.14 ? 1696 HOH A O 1 HETATM 4543 O O . HOH BA 10 . ? -4.174 -9.350 -13.886 1.00 38.28 ? 1697 HOH A O 1 HETATM 4544 O O . HOH BA 10 . ? 1.457 15.952 16.714 1.00 50.61 ? 1698 HOH A O 1 HETATM 4545 O O . HOH BA 10 . ? 12.270 9.701 17.863 1.00 42.01 ? 1699 HOH A O 1 HETATM 4546 O O . HOH BA 10 . ? 16.342 18.001 13.404 1.00 54.92 ? 1700 HOH A O 1 HETATM 4547 O O . HOH BA 10 . ? 26.389 7.998 1.336 1.00 39.03 ? 1701 HOH A O 1 HETATM 4548 O O . HOH BA 10 . ? 16.964 -1.023 -10.084 1.00 27.29 ? 1702 HOH A O 1 HETATM 4549 O O . HOH BA 10 . ? 1.396 10.820 17.744 1.00 40.77 ? 1703 HOH A O 1 HETATM 4550 O O . HOH BA 10 . ? 13.293 7.293 17.855 1.00 46.93 ? 1704 HOH A O 1 HETATM 4551 O O . HOH BA 10 . ? 12.062 12.451 16.684 1.00 51.06 ? 1705 HOH A O 1 HETATM 4552 O O . HOH BA 10 . ? 19.265 1.106 4.792 1.00 36.61 ? 1706 HOH A O 1 HETATM 4553 O O . HOH BA 10 . ? -16.741 9.830 -14.236 1.00 38.67 ? 1707 HOH A O 1 HETATM 4554 O O . HOH BA 10 . ? 10.128 -14.418 1.787 1.00 29.97 ? 1708 HOH A O 1 HETATM 4555 O O . HOH BA 10 . ? 12.722 -15.274 1.065 1.00 35.58 ? 1709 HOH A O 1 HETATM 4556 O O . HOH BA 10 . ? -9.070 -19.794 -9.841 1.00 46.95 ? 1710 HOH A O 1 HETATM 4557 O O . HOH BA 10 . ? -14.323 6.479 -13.074 1.00 43.08 ? 1711 HOH A O 1 HETATM 4558 O O . HOH BA 10 . ? -27.183 -13.461 -4.211 1.00 27.42 ? 1712 HOH A O 1 HETATM 4559 O O . HOH BA 10 . ? -8.870 15.968 16.335 1.00 42.27 ? 1713 HOH A O 1 HETATM 4560 O O . HOH BA 10 . ? -1.356 -23.868 -0.890 1.00 44.39 ? 1714 HOH A O 1 HETATM 4561 O O . HOH BA 10 . ? -14.375 -17.127 -13.213 1.00 43.62 ? 1715 HOH A O 1 HETATM 4562 O O . HOH BA 10 . ? -2.871 -25.289 -2.774 1.00 24.29 ? 1716 HOH A O 1 HETATM 4563 O O . HOH BA 10 . ? -2.304 -2.114 15.548 1.00 35.40 ? 1717 HOH A O 1 HETATM 4564 O O . HOH BA 10 . ? 15.030 20.696 13.267 1.00 25.69 ? 1718 HOH A O 1 HETATM 4565 O O . HOH BA 10 . ? -5.734 9.462 -13.390 1.00 35.86 ? 1719 HOH A O 1 HETATM 4566 O O . HOH BA 10 . ? 17.758 -4.273 -16.186 1.00 50.66 ? 1720 HOH A O 1 HETATM 4567 O O . HOH BA 10 . ? -16.959 8.647 4.144 1.00 34.70 ? 1721 HOH A O 1 HETATM 4568 O O . HOH BA 10 . ? -21.614 -16.550 4.813 1.00 40.49 ? 1722 HOH A O 1 HETATM 4569 O O . HOH CA 10 . ? -6.132 -4.537 -35.579 0.50 21.08 ? 1501 HOH B O 1 HETATM 4570 O O . HOH CA 10 . ? -24.164 17.161 -23.291 0.50 17.21 ? 1502 HOH B O 1 HETATM 4571 O O . HOH CA 10 . ? 2.994 2.231 -17.336 1.00 29.63 ? 1503 HOH B O 1 HETATM 4572 O O . HOH CA 10 . ? -17.374 30.703 -42.911 1.00 16.84 ? 1504 HOH B O 1 HETATM 4573 O O . HOH CA 10 . ? -6.922 11.760 -12.124 1.00 39.19 ? 1505 HOH B O 1 HETATM 4574 O O . HOH CA 10 . ? 7.796 29.816 -16.555 1.00 17.91 ? 1506 HOH B O 1 HETATM 4575 O O . HOH CA 10 . ? -17.133 31.565 -36.752 1.00 32.39 ? 1507 HOH B O 1 HETATM 4576 O O . HOH CA 10 . ? -28.415 20.418 -18.032 1.00 38.69 ? 1508 HOH B O 1 HETATM 4577 O O . HOH CA 10 . ? -19.276 -3.291 -41.089 1.00 32.16 ? 1509 HOH B O 1 HETATM 4578 O O . HOH CA 10 . ? -13.415 -4.344 -25.676 1.00 23.80 ? 1510 HOH B O 1 HETATM 4579 O O . HOH CA 10 . ? -2.703 -3.258 -36.778 1.00 43.77 ? 1511 HOH B O 1 HETATM 4580 O O . HOH CA 10 . ? 15.693 18.626 -21.703 1.00 19.57 ? 1512 HOH B O 1 HETATM 4581 O O . HOH CA 10 . ? -22.524 20.089 -24.934 1.00 32.90 ? 1513 HOH B O 1 HETATM 4582 O O . HOH CA 10 . ? -34.213 10.745 -33.569 1.00 12.36 ? 1514 HOH B O 1 HETATM 4583 O O . HOH CA 10 . ? 5.548 6.078 -24.728 1.00 22.82 ? 1515 HOH B O 1 HETATM 4584 O O . HOH CA 10 . ? 9.722 8.988 -43.279 1.00 36.94 ? 1516 HOH B O 1 HETATM 4585 O O . HOH CA 10 . ? 3.114 7.416 -19.447 1.00 31.36 ? 1517 HOH B O 1 HETATM 4586 O O . HOH CA 10 . ? -11.875 30.449 -28.792 1.00 17.65 ? 1518 HOH B O 1 HETATM 4587 O O . HOH CA 10 . ? -0.782 2.618 -40.989 1.00 25.39 ? 1519 HOH B O 1 HETATM 4588 O O . HOH CA 10 . ? -6.041 -2.951 -27.727 1.00 27.62 ? 1520 HOH B O 1 HETATM 4589 O O . HOH CA 10 . ? -20.274 4.717 -20.451 1.00 18.56 ? 1521 HOH B O 1 HETATM 4590 O O . HOH CA 10 . ? -25.987 6.983 -36.746 1.00 39.70 ? 1522 HOH B O 1 HETATM 4591 O O . HOH CA 10 . ? 7.435 -3.543 -20.235 1.00 25.37 ? 1523 HOH B O 1 HETATM 4592 O O . HOH CA 10 . ? -5.802 -5.646 -21.037 1.00 35.77 ? 1524 HOH B O 1 HETATM 4593 O O . HOH CA 10 . ? 3.479 34.098 -9.535 1.00 23.42 ? 1525 HOH B O 1 HETATM 4594 O O . HOH CA 10 . ? -12.393 -1.795 -20.333 1.00 30.41 ? 1526 HOH B O 1 HETATM 4595 O O . HOH CA 10 . ? -13.412 15.442 -13.785 1.00 25.18 ? 1527 HOH B O 1 HETATM 4596 O O . HOH CA 10 . ? -25.299 12.030 -16.481 1.00 36.45 ? 1528 HOH B O 1 HETATM 4597 O O . HOH CA 10 . ? 2.966 -0.089 -28.309 1.00 19.07 ? 1529 HOH B O 1 HETATM 4598 O O . HOH CA 10 . ? -4.142 3.924 -23.102 1.00 10.73 ? 1530 HOH B O 1 HETATM 4599 O O . HOH CA 10 . ? -10.276 4.687 -14.982 1.00 27.18 ? 1531 HOH B O 1 HETATM 4600 O O . HOH CA 10 . ? 9.805 12.931 -27.160 1.00 31.72 ? 1532 HOH B O 1 HETATM 4601 O O . HOH CA 10 . ? 10.160 18.839 -16.662 1.00 28.95 ? 1533 HOH B O 1 HETATM 4602 O O . HOH CA 10 . ? -32.017 10.791 -29.270 1.00 31.50 ? 1534 HOH B O 1 HETATM 4603 O O . HOH CA 10 . ? 8.806 -0.717 -19.300 1.00 30.73 ? 1535 HOH B O 1 HETATM 4604 O O . HOH CA 10 . ? -9.849 17.401 -14.528 1.00 23.66 ? 1536 HOH B O 1 HETATM 4605 O O . HOH CA 10 . ? 0.791 8.460 -23.128 1.00 16.70 ? 1537 HOH B O 1 HETATM 4606 O O . HOH CA 10 . ? -21.268 30.013 -25.388 1.00 22.11 ? 1538 HOH B O 1 HETATM 4607 O O . HOH CA 10 . ? -30.185 9.190 -36.769 1.00 25.25 ? 1539 HOH B O 1 HETATM 4608 O O . HOH CA 10 . ? -21.135 -8.078 -28.251 1.00 45.77 ? 1540 HOH B O 1 HETATM 4609 O O . HOH CA 10 . ? 12.368 25.627 -18.615 1.00 36.39 ? 1541 HOH B O 1 HETATM 4610 O O . HOH CA 10 . ? 10.555 18.836 -32.555 1.00 18.49 ? 1542 HOH B O 1 HETATM 4611 O O . HOH CA 10 . ? -3.667 16.387 -13.365 1.00 27.43 ? 1543 HOH B O 1 HETATM 4612 O O . HOH CA 10 . ? -7.895 29.581 -34.586 1.00 28.91 ? 1544 HOH B O 1 HETATM 4613 O O . HOH CA 10 . ? -3.401 40.426 -21.241 1.00 29.30 ? 1545 HOH B O 1 HETATM 4614 O O . HOH CA 10 . ? -2.710 0.952 -37.492 1.00 35.65 ? 1546 HOH B O 1 HETATM 4615 O O . HOH CA 10 . ? -7.212 25.902 -37.130 1.00 13.00 ? 1547 HOH B O 1 HETATM 4616 O O . HOH CA 10 . ? -8.996 12.377 -45.126 1.00 19.23 ? 1548 HOH B O 1 HETATM 4617 O O . HOH CA 10 . ? -8.120 35.118 -23.016 1.00 31.90 ? 1549 HOH B O 1 HETATM 4618 O O . HOH CA 10 . ? -17.109 24.064 -45.158 1.00 19.86 ? 1550 HOH B O 1 HETATM 4619 O O . HOH CA 10 . ? -26.838 14.687 -29.999 1.00 27.25 ? 1551 HOH B O 1 HETATM 4620 O O . HOH CA 10 . ? -5.945 5.067 -43.381 1.00 19.39 ? 1552 HOH B O 1 HETATM 4621 O O . HOH CA 10 . ? -3.161 27.631 -37.162 1.00 23.41 ? 1553 HOH B O 1 HETATM 4622 O O . HOH CA 10 . ? -18.903 -0.957 -41.374 1.00 29.02 ? 1554 HOH B O 1 HETATM 4623 O O . HOH CA 10 . ? -19.557 27.500 -40.354 1.00 39.73 ? 1555 HOH B O 1 HETATM 4624 O O . HOH CA 10 . ? -10.824 29.739 -12.358 1.00 25.82 ? 1556 HOH B O 1 HETATM 4625 O O . HOH CA 10 . ? -1.850 10.807 -17.789 1.00 36.65 ? 1557 HOH B O 1 HETATM 4626 O O . HOH CA 10 . ? 6.566 5.813 -38.302 1.00 24.59 ? 1558 HOH B O 1 HETATM 4627 O O . HOH CA 10 . ? 15.884 21.213 -21.224 1.00 40.80 ? 1559 HOH B O 1 HETATM 4628 O O . HOH CA 10 . ? -13.283 7.095 -17.980 1.00 24.84 ? 1560 HOH B O 1 HETATM 4629 O O . HOH CA 10 . ? -1.810 13.191 -31.379 1.00 13.93 ? 1561 HOH B O 1 HETATM 4630 O O . HOH CA 10 . ? -10.912 6.267 -22.704 1.00 8.23 ? 1562 HOH B O 1 HETATM 4631 O O . HOH CA 10 . ? 2.660 34.848 -18.861 1.00 17.60 ? 1563 HOH B O 1 HETATM 4632 O O . HOH CA 10 . ? -1.670 31.323 -6.415 1.00 34.50 ? 1564 HOH B O 1 HETATM 4633 O O . HOH CA 10 . ? -17.473 25.179 -16.340 1.00 26.59 ? 1565 HOH B O 1 HETATM 4634 O O . HOH CA 10 . ? -11.692 12.845 -25.108 1.00 8.86 ? 1566 HOH B O 1 HETATM 4635 O O . HOH CA 10 . ? 9.677 30.023 -14.471 1.00 29.03 ? 1567 HOH B O 1 HETATM 4636 O O . HOH CA 10 . ? -26.043 12.168 -27.283 1.00 15.34 ? 1568 HOH B O 1 HETATM 4637 O O . HOH CA 10 . ? 12.908 28.087 -15.129 1.00 37.82 ? 1569 HOH B O 1 HETATM 4638 O O . HOH CA 10 . ? -2.106 16.490 -16.291 1.00 23.95 ? 1570 HOH B O 1 HETATM 4639 O O . HOH CA 10 . ? -4.273 33.936 -29.092 1.00 25.07 ? 1571 HOH B O 1 HETATM 4640 O O . HOH CA 10 . ? -12.824 31.481 -18.143 1.00 27.95 ? 1572 HOH B O 1 HETATM 4641 O O . HOH CA 10 . ? -23.620 21.665 -36.910 1.00 32.20 ? 1573 HOH B O 1 HETATM 4642 O O . HOH CA 10 . ? 8.291 8.149 -27.171 1.00 37.08 ? 1574 HOH B O 1 HETATM 4643 O O . HOH CA 10 . ? -2.614 29.589 -35.485 1.00 30.02 ? 1575 HOH B O 1 HETATM 4644 O O . HOH CA 10 . ? -14.564 25.083 -45.869 1.00 32.93 ? 1576 HOH B O 1 HETATM 4645 O O . HOH CA 10 . ? 3.300 8.351 -21.989 1.00 27.37 ? 1577 HOH B O 1 HETATM 4646 O O . HOH CA 10 . ? -11.619 17.384 -40.478 1.00 14.58 ? 1578 HOH B O 1 HETATM 4647 O O . HOH CA 10 . ? 2.990 35.264 -23.762 1.00 36.10 ? 1579 HOH B O 1 HETATM 4648 O O . HOH CA 10 . ? 8.609 20.017 -13.370 0.50 21.83 ? 1580 HOH B O 1 HETATM 4649 O O . HOH CA 10 . ? 2.493 0.342 -13.827 1.00 27.23 ? 1581 HOH B O 1 HETATM 4650 O O . HOH CA 10 . ? -28.851 12.699 -29.915 1.00 29.38 ? 1582 HOH B O 1 HETATM 4651 O O . HOH CA 10 . ? 1.145 21.175 -38.839 1.00 9.27 ? 1583 HOH B O 1 HETATM 4652 O O . HOH CA 10 . ? -27.631 23.191 -27.208 1.00 34.09 ? 1584 HOH B O 1 HETATM 4653 O O . HOH CA 10 . ? -6.247 14.536 -14.573 1.00 27.12 ? 1585 HOH B O 1 HETATM 4654 O O . HOH CA 10 . ? 14.240 18.564 -19.776 1.00 32.78 ? 1586 HOH B O 1 HETATM 4655 O O . HOH CA 10 . ? 12.594 23.728 -32.037 1.00 27.82 ? 1587 HOH B O 1 HETATM 4656 O O . HOH CA 10 . ? 2.865 9.791 -18.350 1.00 37.35 ? 1588 HOH B O 1 HETATM 4657 O O . HOH CA 10 . ? 5.936 4.615 -31.637 1.00 19.05 ? 1589 HOH B O 1 HETATM 4658 O O . HOH CA 10 . ? -1.081 43.171 -21.837 1.00 32.65 ? 1590 HOH B O 1 HETATM 4659 O O . HOH CA 10 . ? -3.025 14.525 -18.366 1.00 20.19 ? 1591 HOH B O 1 HETATM 4660 O O . HOH CA 10 . ? 2.537 13.542 -20.644 1.00 39.54 ? 1592 HOH B O 1 HETATM 4661 O O . HOH CA 10 . ? -17.214 33.183 -23.099 1.00 33.89 ? 1593 HOH B O 1 HETATM 4662 O O . HOH CA 10 . ? -14.482 28.483 -10.170 1.00 23.70 ? 1594 HOH B O 1 HETATM 4663 O O . HOH CA 10 . ? -6.270 17.009 -14.853 1.00 16.18 ? 1595 HOH B O 1 HETATM 4664 O O . HOH CA 10 . ? 2.903 10.818 -21.635 1.00 36.11 ? 1596 HOH B O 1 HETATM 4665 O O . HOH CA 10 . ? -8.064 11.718 -18.791 1.00 24.30 ? 1597 HOH B O 1 HETATM 4666 O O . HOH CA 10 . ? -1.500 1.438 -33.135 0.50 14.34 ? 1598 HOH B O 1 HETATM 4667 O O . HOH CA 10 . ? -21.755 10.192 -14.499 1.00 41.28 ? 1599 HOH B O 1 HETATM 4668 O O . HOH CA 10 . ? 13.702 17.150 -27.193 1.00 17.66 ? 1600 HOH B O 1 HETATM 4669 O O . HOH CA 10 . ? 11.957 36.972 -20.010 1.00 41.23 ? 1601 HOH B O 1 HETATM 4670 O O . HOH CA 10 . ? -8.927 10.702 -47.643 1.00 28.91 ? 1602 HOH B O 1 HETATM 4671 O O . HOH CA 10 . ? -14.161 30.635 -21.003 1.00 31.94 ? 1603 HOH B O 1 HETATM 4672 O O . HOH CA 10 . ? 5.116 9.270 -32.057 1.00 14.18 ? 1604 HOH B O 1 HETATM 4673 O O . HOH CA 10 . ? -20.071 20.252 -40.442 1.00 27.44 ? 1605 HOH B O 1 HETATM 4674 O O . HOH CA 10 . ? -6.382 -1.608 -39.292 1.00 28.96 ? 1606 HOH B O 1 HETATM 4675 O O . HOH CA 10 . ? -29.822 9.496 -22.189 0.50 16.08 ? 1607 HOH B O 1 HETATM 4676 O O . HOH CA 10 . ? -4.198 35.837 -16.790 1.00 22.55 ? 1608 HOH B O 1 HETATM 4677 O O . HOH CA 10 . ? -18.801 31.971 -24.813 1.00 24.44 ? 1609 HOH B O 1 HETATM 4678 O O . HOH CA 10 . ? -11.376 2.542 -42.645 1.00 22.30 ? 1610 HOH B O 1 HETATM 4679 O O . HOH CA 10 . ? -14.508 -6.519 -31.490 1.00 37.87 ? 1611 HOH B O 1 HETATM 4680 O O . HOH CA 10 . ? -14.842 10.484 -16.785 1.00 42.93 ? 1612 HOH B O 1 HETATM 4681 O O . HOH CA 10 . ? -8.144 18.836 -18.138 1.00 9.43 ? 1613 HOH B O 1 HETATM 4682 O O . HOH CA 10 . ? -25.589 16.036 -20.548 1.00 38.95 ? 1614 HOH B O 1 HETATM 4683 O O . HOH CA 10 . ? -4.619 19.387 -6.671 1.00 27.45 ? 1615 HOH B O 1 HETATM 4684 O O . HOH CA 10 . ? -28.677 21.271 -32.039 1.00 40.68 ? 1616 HOH B O 1 HETATM 4685 O O . HOH CA 10 . ? 3.708 7.592 -30.317 1.00 10.79 ? 1617 HOH B O 1 HETATM 4686 O O . HOH CA 10 . ? -13.687 7.533 -49.480 1.00 23.35 ? 1618 HOH B O 1 HETATM 4687 O O . HOH CA 10 . ? 12.241 33.599 -25.799 1.00 35.37 ? 1619 HOH B O 1 HETATM 4688 O O . HOH CA 10 . ? 0.227 13.415 -21.402 1.00 12.26 ? 1203 HOH B O 1 HETATM 4689 O O . HOH CA 10 . ? -8.414 19.527 -5.538 1.00 35.82 ? 1621 HOH B O 1 HETATM 4690 O O . HOH CA 10 . ? -19.642 33.025 -28.659 1.00 23.02 ? 1622 HOH B O 1 HETATM 4691 O O . HOH CA 10 . ? 1.104 33.636 -8.194 1.00 18.22 ? 1623 HOH B O 1 HETATM 4692 O O . HOH CA 10 . ? -10.638 21.268 -40.915 1.00 18.30 ? 1624 HOH B O 1 HETATM 4693 O O . HOH CA 10 . ? -22.441 26.878 -19.559 1.00 34.35 ? 1625 HOH B O 1 HETATM 4694 O O . HOH CA 10 . ? 2.579 16.640 -17.410 1.00 20.92 ? 1626 HOH B O 1 HETATM 4695 O O . HOH CA 10 . ? -3.007 -0.513 -32.593 1.00 39.89 ? 1627 HOH B O 1 HETATM 4696 O O . HOH CA 10 . ? -19.103 2.033 -20.295 1.00 27.60 ? 1628 HOH B O 1 HETATM 4697 O O . HOH CA 10 . ? 12.391 17.079 -31.937 1.00 22.95 ? 1629 HOH B O 1 HETATM 4698 O O . HOH CA 10 . ? 12.025 14.806 -26.974 1.00 39.34 ? 1630 HOH B O 1 HETATM 4699 O O . HOH CA 10 . ? -14.257 21.267 -9.600 1.00 16.12 ? 1631 HOH B O 1 HETATM 4700 O O . HOH CA 10 . ? 13.869 14.878 -33.619 1.00 36.76 ? 1632 HOH B O 1 HETATM 4701 O O . HOH CA 10 . ? 9.842 21.420 -39.665 1.00 37.34 ? 1633 HOH B O 1 HETATM 4702 O O . HOH CA 10 . ? 2.331 23.006 -40.628 1.00 21.47 ? 1634 HOH B O 1 HETATM 4703 O O . HOH CA 10 . ? -22.680 -5.740 -28.916 0.50 23.40 ? 1635 HOH B O 1 HETATM 4704 O O . HOH CA 10 . ? 13.044 25.336 -39.285 1.00 36.17 ? 1636 HOH B O 1 HETATM 4705 O O . HOH CA 10 . ? 1.426 28.214 -37.407 1.00 31.04 ? 1637 HOH B O 1 HETATM 4706 O O . HOH CA 10 . ? -19.284 16.435 -10.689 1.00 25.33 ? 1638 HOH B O 1 HETATM 4707 O O . HOH CA 10 . ? -12.688 -1.338 -42.934 1.00 33.41 ? 1639 HOH B O 1 HETATM 4708 O O . HOH CA 10 . ? 3.923 9.776 -44.181 1.00 33.06 ? 1640 HOH B O 1 HETATM 4709 O O . HOH CA 10 . ? 1.975 38.161 -17.486 1.00 24.72 ? 1641 HOH B O 1 HETATM 4710 O O . HOH CA 10 . ? 12.854 15.723 -38.609 1.00 41.78 ? 1642 HOH B O 1 HETATM 4711 O O . HOH CA 10 . ? -2.343 -4.918 -15.298 1.00 17.92 ? 1643 HOH B O 1 HETATM 4712 O O . HOH CA 10 . ? 1.593 -3.747 -21.955 1.00 16.17 ? 1644 HOH B O 1 HETATM 4713 O O . HOH CA 10 . ? 6.794 18.702 -13.687 0.50 16.89 ? 1645 HOH B O 1 HETATM 4714 O O . HOH CA 10 . ? -9.012 -0.791 -16.968 1.00 34.21 ? 1646 HOH B O 1 HETATM 4715 O O . HOH CA 10 . ? -15.610 14.290 -11.300 1.00 28.22 ? 1647 HOH B O 1 HETATM 4716 O O . HOH CA 10 . ? 1.649 19.203 -40.753 1.00 15.05 ? 1648 HOH B O 1 HETATM 4717 O O . HOH CA 10 . ? -17.216 -5.116 -26.621 1.00 30.19 ? 1649 HOH B O 1 HETATM 4718 O O . HOH CA 10 . ? 13.292 22.866 -18.322 1.00 40.64 ? 1650 HOH B O 1 HETATM 4719 O O . HOH CA 10 . ? 0.048 16.451 -17.832 1.00 30.37 ? 1651 HOH B O 1 HETATM 4720 O O . HOH CA 10 . ? -3.245 25.864 -11.329 1.00 30.96 ? 1652 HOH B O 1 HETATM 4721 O O . HOH CA 10 . ? -5.503 -3.011 -16.703 1.00 22.92 ? 1653 HOH B O 1 HETATM 4722 O O . HOH CA 10 . ? -16.417 9.640 -45.012 1.00 20.20 ? 1654 HOH B O 1 HETATM 4723 O O . HOH CA 10 . ? -24.138 -1.704 -31.577 1.00 44.01 ? 1655 HOH B O 1 HETATM 4724 O O . HOH CA 10 . ? -19.614 -7.589 -34.970 1.00 36.70 ? 1656 HOH B O 1 HETATM 4725 O O . HOH CA 10 . ? -2.105 32.923 -30.604 1.00 43.06 ? 1657 HOH B O 1 HETATM 4726 O O . HOH CA 10 . ? -28.033 10.421 -23.108 0.50 21.83 ? 1658 HOH B O 1 HETATM 4727 O O . HOH CA 10 . ? -27.745 1.940 -18.762 1.00 26.50 ? 1659 HOH B O 1 HETATM 4728 O O . HOH CA 10 . ? 1.865 12.137 -43.408 1.00 8.77 ? 1660 HOH B O 1 HETATM 4729 O O . HOH CA 10 . ? -11.422 9.338 -13.949 1.00 28.87 ? 1661 HOH B O 1 HETATM 4730 O O . HOH CA 10 . ? -13.806 18.907 -47.656 1.00 18.19 ? 1662 HOH B O 1 HETATM 4731 O O . HOH CA 10 . ? -7.474 1.582 -42.902 1.00 34.74 ? 1663 HOH B O 1 HETATM 4732 O O . HOH CA 10 . ? -24.101 32.386 -28.677 1.00 34.91 ? 1664 HOH B O 1 HETATM 4733 O O . HOH CA 10 . ? -24.642 24.964 -15.936 1.00 44.01 ? 1665 HOH B O 1 HETATM 4734 O O . HOH CA 10 . ? -26.024 14.350 -24.282 1.00 31.55 ? 1666 HOH B O 1 HETATM 4735 O O . HOH CA 10 . ? 14.632 32.284 -26.634 1.00 42.60 ? 1667 HOH B O 1 HETATM 4736 O O . HOH CA 10 . ? -29.228 30.143 -28.482 1.00 42.29 ? 1668 HOH B O 1 HETATM 4737 O O . HOH CA 10 . ? -25.392 25.774 -38.609 1.00 44.09 ? 1669 HOH B O 1 HETATM 4738 O O . HOH CA 10 . ? 5.368 26.298 -40.311 1.00 26.12 ? 1670 HOH B O 1 HETATM 4739 O O . HOH CA 10 . ? 10.169 7.403 -35.742 1.00 32.86 ? 1671 HOH B O 1 HETATM 4740 O O . HOH CA 10 . ? 2.431 34.142 -33.568 1.00 43.57 ? 1672 HOH B O 1 HETATM 4741 O O . HOH CA 10 . ? -28.516 16.989 -29.699 1.00 30.59 ? 1673 HOH B O 1 HETATM 4742 O O . HOH CA 10 . ? -28.492 10.323 -16.532 1.00 18.60 ? 1674 HOH B O 1 HETATM 4743 O O . HOH CA 10 . ? -7.174 -3.218 -25.058 1.00 24.79 ? 1675 HOH B O 1 HETATM 4744 O O . HOH CA 10 . ? 0.314 22.445 -10.586 1.00 30.53 ? 1676 HOH B O 1 HETATM 4745 O O . HOH CA 10 . ? -26.649 -0.601 -32.374 0.50 29.23 ? 1677 HOH B O 1 HETATM 4746 O O . HOH CA 10 . ? -9.115 -4.451 -20.678 1.00 38.30 ? 1678 HOH B O 1 HETATM 4747 O O . HOH CA 10 . ? -0.470 25.863 -9.759 1.00 38.16 ? 1679 HOH B O 1 HETATM 4748 O O . HOH CA 10 . ? -1.743 21.024 -10.765 1.00 29.89 ? 1680 HOH B O 1 HETATM 4749 O O . HOH CA 10 . ? 10.168 5.873 -27.283 1.00 45.06 ? 1681 HOH B O 1 HETATM 4750 O O . HOH CA 10 . ? -27.765 16.773 -32.413 1.00 34.99 ? 1682 HOH B O 1 HETATM 4751 O O . HOH CA 10 . ? -4.874 30.104 -11.031 1.00 39.09 ? 1683 HOH B O 1 HETATM 4752 O O . HOH CA 10 . ? 5.737 37.874 -28.351 1.00 38.38 ? 1684 HOH B O 1 HETATM 4753 O O . HOH CA 10 . ? -31.885 4.400 -33.256 1.00 18.95 ? 1685 HOH B O 1 HETATM 4754 O O . HOH CA 10 . ? -16.713 0.807 -19.617 1.00 31.05 ? 1686 HOH B O 1 HETATM 4755 O O . HOH CA 10 . ? 6.231 36.880 -14.630 1.00 36.02 ? 1687 HOH B O 1 HETATM 4756 O O . HOH CA 10 . ? -0.561 -0.593 -33.804 1.00 49.29 ? 1688 HOH B O 1 HETATM 4757 O O . HOH CA 10 . ? -31.538 7.877 -29.109 1.00 25.65 ? 1689 HOH B O 1 HETATM 4758 O O . HOH CA 10 . ? -13.813 9.751 -14.626 1.00 43.52 ? 1690 HOH B O 1 HETATM 4759 O O . HOH CA 10 . ? -2.391 -3.619 -30.134 1.00 39.68 ? 1691 HOH B O 1 HETATM 4760 O O . HOH CA 10 . ? 7.906 19.380 -41.262 1.00 40.87 ? 1692 HOH B O 1 HETATM 4761 O O . HOH CA 10 . ? 5.361 0.991 -24.238 0.50 26.33 ? 1693 HOH B O 1 HETATM 4762 O O . HOH CA 10 . ? -27.300 2.369 -35.435 1.00 40.87 ? 1694 HOH B O 1 HETATM 4763 O O . HOH CA 10 . ? -17.736 33.940 -26.604 1.00 41.31 ? 1695 HOH B O 1 HETATM 4764 O O . HOH CA 10 . ? -21.774 31.508 -27.650 1.00 28.21 ? 1696 HOH B O 1 HETATM 4765 O O . HOH CA 10 . ? -26.518 18.153 -34.306 1.00 34.34 ? 1697 HOH B O 1 HETATM 4766 O O . HOH CA 10 . ? -27.245 24.038 -22.516 1.00 36.33 ? 1698 HOH B O 1 HETATM 4767 O O . HOH CA 10 . ? 5.810 17.824 -42.517 1.00 49.21 ? 1699 HOH B O 1 HETATM 4768 O O . HOH CA 10 . ? -24.885 23.485 -35.479 1.00 34.14 ? 1700 HOH B O 1 HETATM 4769 O O . HOH CA 10 . ? -28.040 0.622 -21.010 1.00 35.92 ? 1701 HOH B O 1 HETATM 4770 O O . HOH CA 10 . ? -1.103 -7.466 -15.776 1.00 41.24 ? 1702 HOH B O 1 HETATM 4771 O O . HOH CA 10 . ? 5.464 -1.874 -23.906 1.00 40.71 ? 1703 HOH B O 1 HETATM 4772 O O . HOH CA 10 . ? -3.893 31.970 -33.089 1.00 39.89 ? 1704 HOH B O 1 HETATM 4773 O O . HOH CA 10 . ? -33.485 6.975 -30.459 1.00 40.90 ? 1705 HOH B O 1 HETATM 4774 O O . HOH CA 10 . ? 11.103 26.770 -13.297 1.00 46.55 ? 1706 HOH B O 1 HETATM 4775 O O . HOH CA 10 . ? 13.795 13.163 -38.857 1.00 32.92 ? 1707 HOH B O 1 HETATM 4776 O O . HOH CA 10 . ? 9.064 -2.124 -22.705 1.00 43.81 ? 1708 HOH B O 1 HETATM 4777 O O . HOH CA 10 . ? -22.765 34.839 -29.400 1.00 46.40 ? 1709 HOH B O 1 HETATM 4778 O O . HOH CA 10 . ? -12.345 33.053 -27.902 1.00 35.24 ? 1710 HOH B O 1 HETATM 4779 O O . HOH CA 10 . ? -18.418 26.726 -11.944 1.00 41.42 ? 1711 HOH B O 1 HETATM 4780 O O . HOH CA 10 . ? 10.651 -0.375 -21.407 1.00 40.64 ? 1712 HOH B O 1 HETATM 4781 O O . HOH CA 10 . ? 7.200 6.521 -28.948 1.00 46.53 ? 1713 HOH B O 1 HETATM 4782 O O . HOH CA 10 . ? -23.176 30.736 -23.441 1.00 36.92 ? 1714 HOH B O 1 HETATM 4783 O O . HOH CA 10 . ? -21.907 -6.000 -26.862 0.50 25.48 ? 1715 HOH B O 1 HETATM 4784 O O . HOH CA 10 . ? -19.719 30.807 -45.193 1.00 47.42 ? 1716 HOH B O 1 HETATM 4785 O O . HOH CA 10 . ? -16.752 36.431 -26.714 1.00 43.64 ? 1717 HOH B 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 B 1 1 TRP 1 21 21 TRP TRP B . n B 1 2 GLY 2 22 22 GLY GLY B . n B 1 3 ASN 3 23 23 ASN ASN B . n B 1 4 LEU 4 24 24 LEU LEU B . n B 1 5 GLY 5 25 25 GLY GLY B . n B 1 6 HIS 6 26 26 HIS HIS B . n B 1 7 GLU 7 27 27 GLU GLU B . n B 1 8 THR 8 28 28 THR THR B . n B 1 9 VAL 9 29 29 VAL VAL B . n B 1 10 ALA 10 30 30 ALA ALA B . n B 1 11 TYR 11 31 31 TYR TYR B . n B 1 12 ILE 12 32 32 ILE ILE B . n B 1 13 ALA 13 33 33 ALA ALA B . n B 1 14 GLN 14 34 34 GLN GLN B . n B 1 15 SER 15 35 35 SER SER B . n B 1 16 PHE 16 36 36 PHE PHE B . n B 1 17 VAL 17 37 37 VAL VAL B . n B 1 18 ALA 18 38 38 ALA ALA B . n B 1 19 SER 19 39 39 SER SER B . n B 1 20 SER 20 40 40 SER SER B . n B 1 21 THR 21 41 41 THR THR B . n B 1 22 GLU 22 42 42 GLU GLU B . n B 1 23 SER 23 43 43 SER SER B . n B 1 24 PHE 24 44 44 PHE PHE B . n B 1 25 CYS 25 45 45 CYS CYS B . n B 1 26 GLN 26 46 46 GLN GLN B . n B 1 27 ASN 27 47 47 ASN ASN B . n B 1 28 ILE 28 48 48 ILE ILE B . n B 1 29 LEU 29 49 49 LEU LEU B . n B 1 30 GLY 30 50 50 GLY GLY B . n B 1 31 ASP 31 51 51 ASP ASP B . n B 1 32 ASP 32 52 52 ASP ASP B . n B 1 33 SER 33 53 53 SER SER B . n B 1 34 THR 34 54 54 THR THR B . n B 1 35 SER 35 55 55 SER SER B . n B 1 36 TYR 36 56 56 TYR TYR B . n B 1 37 LEU 37 57 57 LEU LEU B . n B 1 38 ALA 38 58 58 ALA ALA B . n B 1 39 ASN 39 59 59 ASN ASN B . n B 1 40 VAL 40 60 60 VAL VAL B . n B 1 41 ALA 41 61 61 ALA ALA B . n B 1 42 THR 42 62 62 THR THR B . n B 1 43 TRP 43 63 63 TRP TRP B . n B 1 44 ALA 44 64 64 ALA ALA B . n B 1 45 ASP 45 65 65 ASP ASP B . n B 1 46 THR 46 66 66 THR THR B . n B 1 47 TYR 47 67 67 TYR TYR B . n B 1 48 LYS 48 68 68 LYS LYS B . n B 1 49 TYR 49 69 69 TYR TYR B . n B 1 50 THR 50 70 70 THR THR B . n B 1 51 ASP 51 71 71 ASP ASP B . n B 1 52 ALA 52 72 72 ALA ALA B . n B 1 53 GLY 53 73 73 GLY GLY B . n B 1 54 GLU 54 74 74 GLU GLU B . n B 1 55 PHE 55 75 75 PHE PHE B . n B 1 56 SER 56 76 76 SER SER B . n B 1 57 LYS 57 77 77 LYS LYS B . n B 1 58 PRO 58 78 78 PRO PRO B . n B 1 59 TYR 59 79 79 TYR TYR B . n B 1 60 HIS 60 80 80 HIS HIS B . n B 1 61 PHE 61 81 81 PHE PHE B . n B 1 62 ILE 62 82 82 ILE ILE B . n B 1 63 ASP 63 83 83 ASP ASP B . n B 1 64 ALA 64 84 84 ALA ALA B . n B 1 65 GLN 65 85 85 GLN GLN B . n B 1 66 ASP 66 86 86 ASP ASP B . n B 1 67 ASN 67 87 87 ASN ASN B . n B 1 68 PRO 68 88 88 PRO PRO B . n B 1 69 PRO 69 89 89 PRO PRO B . n B 1 70 GLN 70 90 90 GLN GLN B . n B 1 71 SER 71 91 91 SER SER B . n B 1 72 CYS 72 92 92 CYS CYS B . n B 1 73 GLY 73 93 93 GLY GLY B . n B 1 74 VAL 74 94 94 VAL VAL B . n B 1 75 ASP 75 95 95 ASP ASP B . n B 1 76 TYR 76 96 96 TYR TYR B . n B 1 77 ASP 77 97 97 ASP ASP B . n B 1 78 ARG 78 98 98 ARG ARG B . n B 1 79 ASP 79 99 99 ASP ASP B . n B 1 80 CYS 80 100 100 CYS CYS B . n B 1 81 GLY 81 101 101 GLY GLY B . n B 1 82 SER 82 102 102 SER SER B . n B 1 83 ALA 83 103 103 ALA ALA B . n B 1 84 GLY 84 104 104 GLY GLY B . n B 1 85 CYS 85 105 105 CYS CYS B . n B 1 86 SER 86 106 106 SER SER B . n B 1 87 ILE 87 107 107 ILE ILE B . n B 1 88 SER 88 108 108 SER SER B . n B 1 89 ALA 89 109 109 ALA ALA B . n B 1 90 ILE 90 110 110 ILE ILE B . n B 1 91 GLN 91 111 111 GLN GLN B . n B 1 92 ASN 92 112 112 ASN ASN B . n B 1 93 TYR 93 113 113 TYR TYR B . n B 1 94 THR 94 114 114 THR THR B . n B 1 95 ASN 95 115 115 ASN ASN B . n B 1 96 ILE 96 116 116 ILE ILE B . n B 1 97 LEU 97 117 117 LEU LEU B . n B 1 98 LEU 98 118 118 LEU LEU B . n B 1 99 GLU 99 119 119 GLU GLU B . n B 1 100 SER 100 120 120 SER SER B . n B 1 101 PRO 101 121 121 PRO PRO B . n B 1 102 ASN 102 122 122 ASN ASN B . n B 1 103 GLY 103 123 123 GLY GLY B . n B 1 104 SER 104 124 124 SER SER B . n B 1 105 GLU 105 125 125 GLU GLU B . n B 1 106 ALA 106 126 126 ALA ALA B . n B 1 107 LEU 107 127 127 LEU LEU B . n B 1 108 ASN 108 128 128 ASN ASN B . n B 1 109 ALA 109 129 129 ALA ALA B . n B 1 110 LEU 110 130 130 LEU LEU B . n B 1 111 LYS 111 131 131 LYS LYS B . n B 1 112 PHE 112 132 132 PHE PHE B . n B 1 113 VAL 113 133 133 VAL VAL B . n B 1 114 VAL 114 134 134 VAL VAL B . n B 1 115 HIS 115 135 135 HIS HIS B . n B 1 116 ILE 116 136 136 ILE ILE B . n B 1 117 ILE 117 137 137 ILE ILE B . n B 1 118 GLY 118 138 138 GLY GLY B . n B 1 119 ASP 119 139 139 ASP ASP B . n B 1 120 ILE 120 140 140 ILE ILE B . n B 1 121 HIS 121 141 141 HIS HIS B . n B 1 122 GLN 122 142 142 GLN GLN B . n B 1 123 PRO 123 143 143 PRO PRO B . n B 1 124 LEU 124 144 144 LEU LEU B . n B 1 125 HIS 125 145 145 HIS HIS B . n B 1 126 ASP 126 146 146 ASP ASP B . n B 1 127 GLU 127 147 147 GLU GLU B . n B 1 128 ASN 128 148 148 ASN ASN B . n B 1 129 LEU 129 149 149 LEU LEU B . n B 1 130 GLU 130 150 150 GLU GLU B . n B 1 131 ALA 131 151 151 ALA ALA B . n B 1 132 GLY 132 152 152 GLY GLY B . n B 1 133 GLY 133 153 153 GLY GLY B . n B 1 134 ASN 134 154 154 ASN ASN B . n B 1 135 GLY 135 155 155 GLY GLY B . n B 1 136 ILE 136 156 156 ILE ILE B . n B 1 137 ASP 137 157 157 ASP ASP B . n B 1 138 VAL 138 158 158 VAL VAL B . n B 1 139 THR 139 159 159 THR THR B . n B 1 140 TYR 140 160 160 TYR TYR B . n B 1 141 ASP 141 161 161 ASP ASP B . n B 1 142 GLY 142 162 162 GLY GLY B . n B 1 143 GLU 143 163 163 GLU GLU B . n B 1 144 THR 144 164 164 THR THR B . n B 1 145 THR 145 165 165 THR THR B . n B 1 146 ASN 146 166 166 ASN ASN B . n B 1 147 LEU 147 167 167 LEU LEU B . n B 1 148 HIS 148 168 168 HIS HIS B . n B 1 149 HIS 149 169 169 HIS HIS B . n B 1 150 ILE 150 170 170 ILE ILE B . n B 1 151 TRP 151 171 171 TRP TRP B . n B 1 152 ASP 152 172 172 ASP ASP B . n B 1 153 THR 153 173 173 THR THR B . n B 1 154 ASN 154 174 174 ASN ASN B . n B 1 155 MET 155 175 175 MET MET B . n B 1 156 PRO 156 176 176 PRO PRO B . n B 1 157 GLU 157 177 177 GLU GLU B . n B 1 158 GLU 158 178 178 GLU GLU B . n B 1 159 ALA 159 179 179 ALA ALA B . n B 1 160 ALA 160 180 180 ALA ALA B . n B 1 161 GLY 161 181 181 GLY GLY B . n B 1 162 GLY 162 182 182 GLY GLY B . n B 1 163 TYR 163 183 183 TYR TYR B . n B 1 164 SER 164 184 184 SER SER B . n B 1 165 LEU 165 185 185 LEU LEU B . n B 1 166 SER 166 186 186 SER SER B . n B 1 167 VAL 167 187 187 VAL VAL B . n B 1 168 ALA 168 188 188 ALA ALA B . n B 1 169 LYS 169 189 189 LYS LYS B . n B 1 170 THR 170 190 190 THR THR B . n B 1 171 TYR 171 191 191 TYR TYR B . n B 1 172 ALA 172 192 192 ALA ALA B . n B 1 173 ASP 173 193 193 ASP ASP B . n B 1 174 LEU 174 194 194 LEU LEU B . n B 1 175 LEU 175 195 195 LEU LEU B . n B 1 176 THR 176 196 196 THR THR B . n B 1 177 GLU 177 197 197 GLU GLU B . n B 1 178 ARG 178 198 198 ARG ARG B . n B 1 179 ILE 179 199 199 ILE ILE B . n B 1 180 LYS 180 200 200 LYS LYS B . n B 1 181 THR 181 201 201 THR THR B . n B 1 182 GLY 182 202 202 GLY GLY B . n B 1 183 THR 183 203 203 THR THR B . n B 1 184 TYR 184 204 204 TYR TYR B . n B 1 185 SER 185 205 205 SER SER B . n B 1 186 SER 186 206 206 SER SER B . n B 1 187 LYS 187 207 207 LYS LYS B . n B 1 188 LYS 188 208 208 LYS LYS B . n B 1 189 ASP 189 209 209 ASP ASP B . n B 1 190 SER 190 210 210 SER SER B . n B 1 191 TRP 191 211 211 TRP TRP B . n B 1 192 THR 192 212 212 THR THR B . n B 1 193 ASP 193 213 213 ASP ASP B . n B 1 194 GLY 194 214 214 GLY GLY B . n B 1 195 ILE 195 215 215 ILE ILE B . n B 1 196 ASP 196 216 216 ASP ASP B . n B 1 197 ILE 197 217 217 ILE ILE B . n B 1 198 LYS 198 218 218 LYS LYS B . n B 1 199 ASP 199 219 219 ASP ASP B . n B 1 200 PRO 200 220 220 PRO PRO B . n B 1 201 VAL 201 221 221 VAL VAL B . n B 1 202 SER 202 222 222 SER SER B . n B 1 203 THR 203 223 223 THR THR B . n B 1 204 SER 204 224 224 SER SER B . n B 1 205 MET 205 225 225 MET MET B . n B 1 206 ILE 206 226 226 ILE ILE B . n B 1 207 TRP 207 227 227 TRP TRP B . n B 1 208 ALA 208 228 228 ALA ALA B . n B 1 209 ALA 209 229 229 ALA ALA B . n B 1 210 ASP 210 230 230 ASP ASP B . n B 1 211 ALA 211 231 231 ALA ALA B . n B 1 212 ASN 212 232 232 ASN ASN B . n B 1 213 THR 213 233 233 THR THR B . n B 1 214 TYR 214 234 234 TYR TYR B . n B 1 215 VAL 215 235 235 VAL VAL B . n B 1 216 CYS 216 236 236 CYS CYS B . n B 1 217 SER 217 237 237 SER SER B . n B 1 218 THR 218 238 238 THR THR B . n B 1 219 VAL 219 239 239 VAL VAL B . n B 1 220 LEU 220 240 240 LEU LEU B . n B 1 221 ASP 221 241 241 ASP ASP B . n B 1 222 ASP 222 242 242 ASP ASP B . n B 1 223 GLY 223 243 243 GLY GLY B . n B 1 224 LEU 224 244 244 LEU LEU B . n B 1 225 ALA 225 245 245 ALA ALA B . n B 1 226 TYR 226 246 246 TYR TYR B . n B 1 227 ILE 227 247 247 ILE ILE B . n B 1 228 ASN 228 248 248 ASN ASN B . n B 1 229 SER 229 249 249 SER SER B . n B 1 230 THR 230 250 250 THR THR B . n B 1 231 ASP 231 251 251 ASP ASP B . n B 1 232 LEU 232 252 252 LEU LEU B . n B 1 233 SER 233 253 253 SER SER B . n B 1 234 GLY 234 254 254 GLY GLY B . n B 1 235 GLU 235 255 255 GLU GLU B . n B 1 236 TYR 236 256 256 TYR TYR B . n B 1 237 TYR 237 257 257 TYR TYR B . n B 1 238 ASP 238 258 258 ASP ASP B . n B 1 239 LYS 239 259 259 LYS LYS B . n B 1 240 SER 240 260 260 SER SER B . n B 1 241 GLN 241 261 261 GLN GLN B . n B 1 242 PRO 242 262 262 PRO PRO B . n B 1 243 VAL 243 263 263 VAL VAL B . n B 1 244 PHE 244 264 264 PHE PHE B . n B 1 245 GLU 245 265 265 GLU GLU B . n B 1 246 GLU 246 266 266 GLU GLU B . n B 1 247 LEU 247 267 267 LEU LEU B . n B 1 248 ILE 248 268 268 ILE ILE B . n B 1 249 ALA 249 269 269 ALA ALA B . n B 1 250 LYS 250 270 270 LYS LYS B . n B 1 251 ALA 251 271 271 ALA ALA B . n B 1 252 GLY 252 272 272 GLY GLY B . n B 1 253 TYR 253 273 273 TYR TYR B . n B 1 254 ARG 254 274 274 ARG ARG B . n B 1 255 LEU 255 275 275 LEU LEU B . n B 1 256 ALA 256 276 276 ALA ALA B . n B 1 257 ALA 257 277 277 ALA ALA B . n B 1 258 TRP 258 278 278 TRP TRP B . n B 1 259 LEU 259 279 279 LEU LEU B . n B 1 260 ASP 260 280 280 ASP ASP B . n B 1 261 LEU 261 281 281 LEU LEU B . n B 1 262 ILE 262 282 282 ILE ILE B . n B 1 263 ALA 263 283 283 ALA ALA B . n B 1 264 SER 264 284 284 SER SER B . n B 1 265 GLN 265 285 285 GLN GLN B . n B 1 266 PRO 266 286 286 PRO PRO B . n B 1 267 SER 267 287 287 SER SER B . 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 C 2 ZN 1 401 401 ZN ZN A . D 2 ZN 1 402 402 ZN ZN A . E 2 ZN 1 403 403 ZN ZN A . F 3 NAG 1 501 501 NAG NAG A . G 3 NAG 1 502 502 NAG NAG A . H 4 PO4 1 601 601 PO4 PO4 A . I 5 AMP 1 701 701 AMP AMP A . J 6 NA 1 801 801 NA NA A . K 6 NA 1 802 802 NA NA A . L 7 CA 1 901 901 CA CA A . M 7 CA 1 902 902 CA CA A . N 7 CA 1 903 903 CA CA A . O 8 BTB 1 1001 1001 BTB BTB A . P 8 BTB 1 1002 1002 BTB BTB A . Q 9 ETE 1 1101 1101 ETE ETE A . R 2 ZN 1 401 401 ZN ZN B . S 2 ZN 1 402 402 ZN ZN B . T 2 ZN 1 403 403 ZN ZN B . U 4 PO4 1 601 601 PO4 PO4 B . V 5 AMP 1 701 701 AMP AMP B . W 6 NA 1 801 801 NA NA B . X 7 CA 1 901 901 CA CA B . Y 7 CA 1 902 902 CA CA B . Z 8 BTB 1 1001 1001 BTB BTB B . AA 8 BTB 1 1002 1002 BTB BTB B . BA 10 HOH 1 1501 1630 HOH HOH A . BA 10 HOH 2 1502 1314 HOH HOH A . BA 10 HOH 3 1503 1620 HOH HOH A . BA 10 HOH 4 1504 1355 HOH HOH A . BA 10 HOH 5 1505 1619 HOH HOH A . BA 10 HOH 6 1506 1327 HOH HOH A . BA 10 HOH 7 1507 1413 HOH HOH A . BA 10 HOH 8 1508 1577 HOH HOH A . BA 10 HOH 9 1509 1360 HOH HOH A . BA 10 HOH 10 1510 1448 HOH HOH A . BA 10 HOH 11 1511 1565 HOH HOH A . BA 10 HOH 12 1512 1486 HOH HOH A . BA 10 HOH 13 1513 1506 HOH HOH A . BA 10 HOH 14 1514 1598 HOH HOH A . BA 10 HOH 15 1515 1407 HOH HOH A . BA 10 HOH 16 1516 1357 HOH HOH A . BA 10 HOH 17 1517 1526 HOH HOH A . BA 10 HOH 18 1518 1427 HOH HOH A . BA 10 HOH 19 1519 1419 HOH HOH A . BA 10 HOH 20 1520 1379 HOH HOH A . BA 10 HOH 21 1521 1464 HOH HOH A . BA 10 HOH 22 1522 1458 HOH HOH A . BA 10 HOH 23 1523 1386 HOH HOH A . BA 10 HOH 24 1524 1412 HOH HOH A . BA 10 HOH 25 1525 1230 HOH HOH A . BA 10 HOH 26 1526 1621 HOH HOH A . BA 10 HOH 27 1527 1349 HOH HOH A . BA 10 HOH 28 1528 1242 HOH HOH A . BA 10 HOH 29 1529 1320 HOH HOH A . BA 10 HOH 30 1530 1371 HOH HOH A . BA 10 HOH 31 1531 1417 HOH HOH A . BA 10 HOH 32 1532 1335 HOH HOH A . BA 10 HOH 33 1533 1375 HOH HOH A . BA 10 HOH 34 1534 1488 HOH HOH A . BA 10 HOH 35 1535 1377 HOH HOH A . BA 10 HOH 36 1536 1507 HOH HOH A . BA 10 HOH 37 1537 1275 HOH HOH A . BA 10 HOH 38 1538 1440 HOH HOH A . BA 10 HOH 39 1539 1493 HOH HOH A . BA 10 HOH 40 1540 1273 HOH HOH A . BA 10 HOH 41 1541 1251 HOH HOH A . BA 10 HOH 42 1542 1582 HOH HOH A . BA 10 HOH 43 1543 1451 HOH HOH A . BA 10 HOH 44 1544 1481 HOH HOH A . BA 10 HOH 45 1545 1624 HOH HOH A . BA 10 HOH 46 1546 1309 HOH HOH A . BA 10 HOH 47 1547 1409 HOH HOH A . BA 10 HOH 48 1548 1223 HOH HOH A . BA 10 HOH 49 1549 1347 HOH HOH A . BA 10 HOH 50 1550 1561 HOH HOH A . BA 10 HOH 51 1551 1638 HOH HOH A . BA 10 HOH 52 1552 1248 HOH HOH A . BA 10 HOH 53 1553 1450 HOH HOH A . BA 10 HOH 54 1554 1272 HOH HOH A . BA 10 HOH 55 1555 1545 HOH HOH A . BA 10 HOH 56 1556 1562 HOH HOH A . BA 10 HOH 57 1557 1463 HOH HOH A . BA 10 HOH 58 1558 1286 HOH HOH A . BA 10 HOH 59 1559 1541 HOH HOH A . BA 10 HOH 60 1560 1594 HOH HOH A . BA 10 HOH 61 1561 1332 HOH HOH A . BA 10 HOH 62 1562 1240 HOH HOH A . BA 10 HOH 63 1563 1398 HOH HOH A . BA 10 HOH 64 1564 1510 HOH HOH A . BA 10 HOH 65 1565 1389 HOH HOH A . BA 10 HOH 66 1566 1310 HOH HOH A . BA 10 HOH 67 1567 1402 HOH HOH A . BA 10 HOH 68 1568 1452 HOH HOH A . BA 10 HOH 69 1569 1408 HOH HOH A . BA 10 HOH 70 1570 1206 HOH HOH A . BA 10 HOH 71 1571 1315 HOH HOH A . BA 10 HOH 72 1572 1618 HOH HOH A . BA 10 HOH 73 1573 1291 HOH HOH A . BA 10 HOH 74 1574 1497 HOH HOH A . BA 10 HOH 75 1575 1287 HOH HOH A . BA 10 HOH 76 1576 1492 HOH HOH A . BA 10 HOH 77 1577 1424 HOH HOH A . BA 10 HOH 78 1578 1307 HOH HOH A . BA 10 HOH 79 1579 1267 HOH HOH A . BA 10 HOH 80 1580 1374 HOH HOH A . BA 10 HOH 81 1581 1258 HOH HOH A . BA 10 HOH 82 1582 1410 HOH HOH A . BA 10 HOH 83 1583 1334 HOH HOH A . BA 10 HOH 84 1584 1301 HOH HOH A . BA 10 HOH 85 1585 1228 HOH HOH A . BA 10 HOH 86 1586 1447 HOH HOH A . BA 10 HOH 87 1587 1279 HOH HOH A . BA 10 HOH 88 1588 1312 HOH HOH A . BA 10 HOH 89 1589 1435 HOH HOH A . BA 10 HOH 90 1590 1336 HOH HOH A . BA 10 HOH 91 1591 1469 HOH HOH A . BA 10 HOH 92 1592 1508 HOH HOH A . BA 10 HOH 93 1593 1474 HOH HOH A . BA 10 HOH 94 1594 1274 HOH HOH A . BA 10 HOH 95 1595 1514 HOH HOH A . BA 10 HOH 96 1596 1344 HOH HOH A . BA 10 HOH 97 1597 1350 HOH HOH A . BA 10 HOH 98 1598 1243 HOH HOH A . BA 10 HOH 99 1599 1637 HOH HOH A . BA 10 HOH 100 1600 1580 HOH HOH A . BA 10 HOH 101 1601 1238 HOH HOH A . BA 10 HOH 102 1602 1293 HOH HOH A . BA 10 HOH 103 1603 1359 HOH HOH A . BA 10 HOH 104 1604 1208 HOH HOH A . BA 10 HOH 105 1605 1449 HOH HOH A . BA 10 HOH 106 1203 1203 HOH HOH A . BA 10 HOH 107 1607 1215 HOH HOH A . BA 10 HOH 108 1608 1343 HOH HOH A . BA 10 HOH 109 1609 1595 HOH HOH A . BA 10 HOH 110 1610 1394 HOH HOH A . BA 10 HOH 111 1611 1225 HOH HOH A . BA 10 HOH 112 1612 1401 HOH HOH A . BA 10 HOH 113 1613 1342 HOH HOH A . BA 10 HOH 114 1614 1373 HOH HOH A . BA 10 HOH 115 1615 1308 HOH HOH A . BA 10 HOH 116 1616 1513 HOH HOH A . BA 10 HOH 117 1617 1229 HOH HOH A . BA 10 HOH 118 1618 1491 HOH HOH A . BA 10 HOH 119 1619 1422 HOH HOH A . BA 10 HOH 120 1620 1485 HOH HOH A . BA 10 HOH 121 1621 1318 HOH HOH A . BA 10 HOH 122 1622 1542 HOH HOH A . BA 10 HOH 123 1623 1353 HOH HOH A . BA 10 HOH 124 1624 1249 HOH HOH A . BA 10 HOH 125 1625 1415 HOH HOH A . BA 10 HOH 126 1626 1245 HOH HOH A . BA 10 HOH 127 1627 1316 HOH HOH A . BA 10 HOH 128 1628 1296 HOH HOH A . BA 10 HOH 129 1629 1517 HOH HOH A . BA 10 HOH 130 1630 1437 HOH HOH A . BA 10 HOH 131 1631 1366 HOH HOH A . BA 10 HOH 132 1632 1478 HOH HOH A . BA 10 HOH 133 1633 1459 HOH HOH A . BA 10 HOH 134 1634 1519 HOH HOH A . BA 10 HOH 135 1635 1244 HOH HOH A . BA 10 HOH 136 1636 1235 HOH HOH A . BA 10 HOH 137 1637 1367 HOH HOH A . BA 10 HOH 138 1638 1294 HOH HOH A . BA 10 HOH 139 1639 1453 HOH HOH A . BA 10 HOH 140 1640 1265 HOH HOH A . BA 10 HOH 141 1641 1483 HOH HOH A . BA 10 HOH 142 1642 1479 HOH HOH A . BA 10 HOH 143 1643 1489 HOH HOH A . BA 10 HOH 144 1644 1418 HOH HOH A . BA 10 HOH 145 1645 1502 HOH HOH A . BA 10 HOH 146 1646 1329 HOH HOH A . BA 10 HOH 147 1647 1333 HOH HOH A . BA 10 HOH 148 1648 1487 HOH HOH A . BA 10 HOH 149 1649 1524 HOH HOH A . BA 10 HOH 150 1650 1246 HOH HOH A . BA 10 HOH 151 1651 1247 HOH HOH A . BA 10 HOH 152 1652 1264 HOH HOH A . BA 10 HOH 153 1653 1231 HOH HOH A . BA 10 HOH 154 1654 1504 HOH HOH A . BA 10 HOH 155 1655 1475 HOH HOH A . BA 10 HOH 156 1656 1546 HOH HOH A . BA 10 HOH 157 1657 1381 HOH HOH A . BA 10 HOH 158 1658 1626 HOH HOH A . BA 10 HOH 159 1659 1352 HOH HOH A . BA 10 HOH 160 1660 1221 HOH HOH A . BA 10 HOH 161 1661 1210 HOH HOH A . BA 10 HOH 162 1662 1211 HOH HOH A . BA 10 HOH 163 1663 1212 HOH HOH A . BA 10 HOH 164 1664 1534 HOH HOH A . BA 10 HOH 165 1665 1433 HOH HOH A . BA 10 HOH 166 1666 1213 HOH HOH A . BA 10 HOH 167 1667 1217 HOH HOH A . BA 10 HOH 168 1668 1438 HOH HOH A . BA 10 HOH 169 1669 1441 HOH HOH A . BA 10 HOH 170 1670 1555 HOH HOH A . BA 10 HOH 171 1671 1456 HOH HOH A . BA 10 HOH 172 1672 1384 HOH HOH A . BA 10 HOH 173 1673 1516 HOH HOH A . BA 10 HOH 174 1674 1219 HOH HOH A . BA 10 HOH 175 1675 1378 HOH HOH A . BA 10 HOH 176 1676 1331 HOH HOH A . BA 10 HOH 177 1677 1261 HOH HOH A . BA 10 HOH 178 1678 1313 HOH HOH A . BA 10 HOH 179 1679 1547 HOH HOH A . BA 10 HOH 180 1680 1430 HOH HOH A . BA 10 HOH 181 1681 1628 HOH HOH A . BA 10 HOH 182 1682 1599 HOH HOH A . BA 10 HOH 183 1683 1351 HOH HOH A . BA 10 HOH 184 1684 1596 HOH HOH A . BA 10 HOH 185 1685 1576 HOH HOH A . BA 10 HOH 186 1686 1627 HOH HOH A . BA 10 HOH 187 1687 1564 HOH HOH A . BA 10 HOH 188 1688 1255 HOH HOH A . BA 10 HOH 189 1689 1617 HOH HOH A . BA 10 HOH 190 1690 1396 HOH HOH A . BA 10 HOH 191 1691 1425 HOH HOH A . BA 10 HOH 192 1692 1632 HOH HOH A . BA 10 HOH 193 1693 1540 HOH HOH A . BA 10 HOH 194 1694 1593 HOH HOH A . BA 10 HOH 195 1695 1299 HOH HOH A . BA 10 HOH 196 1696 1583 HOH HOH A . BA 10 HOH 197 1697 1525 HOH HOH A . BA 10 HOH 198 1698 1470 HOH HOH A . BA 10 HOH 199 1699 1490 HOH HOH A . BA 10 HOH 200 1700 1639 HOH HOH A . BA 10 HOH 201 1701 1317 HOH HOH A . BA 10 HOH 202 1702 1566 HOH HOH A . BA 10 HOH 203 1703 1533 HOH HOH A . BA 10 HOH 204 1704 1539 HOH HOH A . BA 10 HOH 205 1705 1531 HOH HOH A . BA 10 HOH 206 1706 1560 HOH HOH A . BA 10 HOH 207 1707 1496 HOH HOH A . BA 10 HOH 208 1708 1537 HOH HOH A . BA 10 HOH 209 1709 1591 HOH HOH A . BA 10 HOH 210 1710 1442 HOH HOH A . BA 10 HOH 211 1711 1571 HOH HOH A . BA 10 HOH 212 1712 1404 HOH HOH A . BA 10 HOH 213 1713 1461 HOH HOH A . BA 10 HOH 214 1714 1568 HOH HOH A . BA 10 HOH 215 1715 1573 HOH HOH A . BA 10 HOH 216 1716 1383 HOH HOH A . BA 10 HOH 217 1717 1625 HOH HOH A . BA 10 HOH 218 1718 1529 HOH HOH A . BA 10 HOH 219 1719 1306 HOH HOH A . BA 10 HOH 220 1720 1597 HOH HOH A . BA 10 HOH 221 1721 1363 HOH HOH A . BA 10 HOH 222 1722 1471 HOH HOH A . CA 10 HOH 1 1501 1319 HOH HOH B . CA 10 HOH 2 1502 1512 HOH HOH B . CA 10 HOH 3 1503 1339 HOH HOH B . CA 10 HOH 4 1504 1257 HOH HOH B . CA 10 HOH 5 1505 1434 HOH HOH B . CA 10 HOH 6 1506 1284 HOH HOH B . CA 10 HOH 7 1507 1372 HOH HOH B . CA 10 HOH 8 1508 1586 HOH HOH B . CA 10 HOH 9 1509 1520 HOH HOH B . CA 10 HOH 10 1510 1321 HOH HOH B . CA 10 HOH 11 1511 1397 HOH HOH B . CA 10 HOH 12 1512 1330 HOH HOH B . CA 10 HOH 13 1513 1601 HOH HOH B . CA 10 HOH 14 1514 1227 HOH HOH B . CA 10 HOH 15 1515 1259 HOH HOH B . CA 10 HOH 16 1516 1563 HOH HOH B . CA 10 HOH 17 1517 1365 HOH HOH B . CA 10 HOH 18 1518 1239 HOH HOH B . CA 10 HOH 19 1519 1300 HOH HOH B . CA 10 HOH 20 1520 1606 HOH HOH B . CA 10 HOH 21 1521 1276 HOH HOH B . CA 10 HOH 22 1522 1465 HOH HOH B . CA 10 HOH 23 1523 1544 HOH HOH B . CA 10 HOH 24 1524 1527 HOH HOH B . CA 10 HOH 25 1525 1262 HOH HOH B . CA 10 HOH 26 1526 1414 HOH HOH B . CA 10 HOH 27 1527 1338 HOH HOH B . CA 10 HOH 28 1528 1501 HOH HOH B . CA 10 HOH 29 1529 1277 HOH HOH B . CA 10 HOH 30 1530 1283 HOH HOH B . CA 10 HOH 31 1531 1391 HOH HOH B . CA 10 HOH 32 1532 1457 HOH HOH B . CA 10 HOH 33 1533 1376 HOH HOH B . CA 10 HOH 34 1534 1428 HOH HOH B . CA 10 HOH 35 1535 1642 HOH HOH B . CA 10 HOH 36 1536 1400 HOH HOH B . CA 10 HOH 37 1537 1346 HOH HOH B . CA 10 HOH 38 1538 1411 HOH HOH B . CA 10 HOH 39 1539 1323 HOH HOH B . CA 10 HOH 40 1540 1356 HOH HOH B . CA 10 HOH 41 1541 1585 HOH HOH B . CA 10 HOH 42 1542 1290 HOH HOH B . CA 10 HOH 43 1543 1557 HOH HOH B . CA 10 HOH 44 1544 1390 HOH HOH B . CA 10 HOH 45 1545 1505 HOH HOH B . CA 10 HOH 46 1546 1388 HOH HOH B . CA 10 HOH 47 1547 1232 HOH HOH B . CA 10 HOH 48 1548 1303 HOH HOH B . CA 10 HOH 49 1549 1480 HOH HOH B . CA 10 HOH 50 1550 1207 HOH HOH B . CA 10 HOH 51 1551 1431 HOH HOH B . CA 10 HOH 52 1552 1236 HOH HOH B . CA 10 HOH 53 1553 1348 HOH HOH B . CA 10 HOH 54 1554 1590 HOH HOH B . CA 10 HOH 55 1555 1494 HOH HOH B . CA 10 HOH 56 1556 1328 HOH HOH B . CA 10 HOH 57 1557 1455 HOH HOH B . CA 10 HOH 58 1558 1297 HOH HOH B . CA 10 HOH 59 1559 1640 HOH HOH B . CA 10 HOH 60 1560 1270 HOH HOH B . CA 10 HOH 61 1561 1304 HOH HOH B . CA 10 HOH 62 1562 1269 HOH HOH B . CA 10 HOH 63 1563 1254 HOH HOH B . CA 10 HOH 64 1564 1559 HOH HOH B . CA 10 HOH 65 1565 1358 HOH HOH B . CA 10 HOH 66 1566 1250 HOH HOH B . CA 10 HOH 67 1567 1484 HOH HOH B . CA 10 HOH 68 1568 1234 HOH HOH B . CA 10 HOH 69 1569 1439 HOH HOH B . CA 10 HOH 70 1570 1268 HOH HOH B . CA 10 HOH 71 1571 1298 HOH HOH B . CA 10 HOH 72 1572 1467 HOH HOH B . CA 10 HOH 73 1573 1552 HOH HOH B . CA 10 HOH 74 1574 1581 HOH HOH B . CA 10 HOH 75 1575 1454 HOH HOH B . CA 10 HOH 76 1576 1615 HOH HOH B . CA 10 HOH 77 1577 1558 HOH HOH B . CA 10 HOH 78 1578 1311 HOH HOH B . CA 10 HOH 79 1579 1613 HOH HOH B . CA 10 HOH 80 1580 1592 HOH HOH B . CA 10 HOH 81 1581 1325 HOH HOH B . CA 10 HOH 82 1582 1416 HOH HOH B . CA 10 HOH 83 1583 1218 HOH HOH B . CA 10 HOH 84 1584 1610 HOH HOH B . CA 10 HOH 85 1585 1556 HOH HOH B . CA 10 HOH 86 1586 1523 HOH HOH B . CA 10 HOH 87 1587 1289 HOH HOH B . CA 10 HOH 88 1588 1521 HOH HOH B . CA 10 HOH 89 1589 1281 HOH HOH B . CA 10 HOH 90 1590 1633 HOH HOH B . CA 10 HOH 91 1591 1361 HOH HOH B . CA 10 HOH 92 1592 1392 HOH HOH B . CA 10 HOH 93 1593 1612 HOH HOH B . CA 10 HOH 94 1594 1477 HOH HOH B . CA 10 HOH 95 1595 1256 HOH HOH B . CA 10 HOH 96 1596 1511 HOH HOH B . CA 10 HOH 97 1597 1382 HOH HOH B . CA 10 HOH 98 1598 1503 HOH HOH B . CA 10 HOH 99 1599 1387 HOH HOH B . CA 10 HOH 100 1600 1220 HOH HOH B . CA 10 HOH 101 1601 1614 HOH HOH B . CA 10 HOH 102 1602 1579 HOH HOH B . CA 10 HOH 103 1603 1405 HOH HOH B . CA 10 HOH 104 1604 1252 HOH HOH B . CA 10 HOH 105 1605 1551 HOH HOH B . CA 10 HOH 106 1606 1399 HOH HOH B . CA 10 HOH 107 1607 1572 HOH HOH B . CA 10 HOH 108 1608 1337 HOH HOH B . CA 10 HOH 109 1609 1305 HOH HOH B . CA 10 HOH 110 1610 1403 HOH HOH B . CA 10 HOH 111 1611 1607 HOH HOH B . CA 10 HOH 112 1612 1421 HOH HOH B . CA 10 HOH 113 1613 1263 HOH HOH B . CA 10 HOH 114 1614 1362 HOH HOH B . CA 10 HOH 115 1615 1498 HOH HOH B . CA 10 HOH 116 1616 1460 HOH HOH B . CA 10 HOH 117 1617 1224 HOH HOH B . CA 10 HOH 118 1618 1341 HOH HOH B . CA 10 HOH 119 1619 1466 HOH HOH B . CA 10 HOH 120 1203 1203 HOH HOH B . CA 10 HOH 121 1621 1444 HOH HOH B . CA 10 HOH 122 1622 1369 HOH HOH B . CA 10 HOH 123 1623 1271 HOH HOH B . CA 10 HOH 124 1624 1260 HOH HOH B . CA 10 HOH 125 1625 1340 HOH HOH B . CA 10 HOH 126 1626 1285 HOH HOH B . CA 10 HOH 127 1627 1588 HOH HOH B . CA 10 HOH 128 1628 1302 HOH HOH B . CA 10 HOH 129 1629 1288 HOH HOH B . CA 10 HOH 130 1630 1609 HOH HOH B . CA 10 HOH 131 1631 1226 HOH HOH B . CA 10 HOH 132 1632 1522 HOH HOH B . CA 10 HOH 133 1633 1395 HOH HOH B . CA 10 HOH 134 1634 1280 HOH HOH B . CA 10 HOH 135 1635 1608 HOH HOH B . CA 10 HOH 136 1636 1436 HOH HOH B . CA 10 HOH 137 1637 1429 HOH HOH B . CA 10 HOH 138 1638 1482 HOH HOH B . CA 10 HOH 139 1639 1322 HOH HOH B . CA 10 HOH 140 1640 1631 HOH HOH B . CA 10 HOH 141 1641 1368 HOH HOH B . CA 10 HOH 142 1642 1499 HOH HOH B . CA 10 HOH 143 1643 1445 HOH HOH B . CA 10 HOH 144 1644 1282 HOH HOH B . CA 10 HOH 145 1645 1589 HOH HOH B . CA 10 HOH 146 1646 1295 HOH HOH B . CA 10 HOH 147 1647 1462 HOH HOH B . CA 10 HOH 148 1648 1345 HOH HOH B . CA 10 HOH 149 1649 1326 HOH HOH B . CA 10 HOH 150 1650 1587 HOH HOH B . CA 10 HOH 151 1651 1509 HOH HOH B . CA 10 HOH 152 1652 1278 HOH HOH B . CA 10 HOH 153 1653 1380 HOH HOH B . CA 10 HOH 154 1654 1222 HOH HOH B . CA 10 HOH 155 1655 1385 HOH HOH B . CA 10 HOH 156 1656 1584 HOH HOH B . CA 10 HOH 157 1657 1515 HOH HOH B . CA 10 HOH 158 1658 1423 HOH HOH B . CA 10 HOH 159 1659 1233 HOH HOH B . CA 10 HOH 160 1660 1209 HOH HOH B . CA 10 HOH 161 1661 1241 HOH HOH B . CA 10 HOH 162 1662 1253 HOH HOH B . CA 10 HOH 163 1663 1406 HOH HOH B . CA 10 HOH 164 1664 1611 HOH HOH B . CA 10 HOH 165 1665 1426 HOH HOH B . CA 10 HOH 166 1666 1364 HOH HOH B . CA 10 HOH 167 1667 1468 HOH HOH B . CA 10 HOH 168 1668 1370 HOH HOH B . CA 10 HOH 169 1669 1629 HOH HOH B . CA 10 HOH 170 1670 1266 HOH HOH B . CA 10 HOH 171 1671 1550 HOH HOH B . CA 10 HOH 172 1672 1574 HOH HOH B . CA 10 HOH 173 1673 1446 HOH HOH B . CA 10 HOH 174 1674 1214 HOH HOH B . CA 10 HOH 175 1675 1292 HOH HOH B . CA 10 HOH 176 1676 1622 HOH HOH B . CA 10 HOH 177 1677 1603 HOH HOH B . CA 10 HOH 178 1678 1393 HOH HOH B . CA 10 HOH 179 1679 1354 HOH HOH B . CA 10 HOH 180 1680 1623 HOH HOH B . CA 10 HOH 181 1681 1237 HOH HOH B . CA 10 HOH 182 1682 1602 HOH HOH B . CA 10 HOH 183 1683 1554 HOH HOH B . CA 10 HOH 184 1684 1528 HOH HOH B . CA 10 HOH 185 1685 1216 HOH HOH B . CA 10 HOH 186 1686 1420 HOH HOH B . CA 10 HOH 187 1687 1578 HOH HOH B . CA 10 HOH 188 1688 1604 HOH HOH B . CA 10 HOH 189 1689 1548 HOH HOH B . CA 10 HOH 190 1690 1570 HOH HOH B . CA 10 HOH 191 1691 1605 HOH HOH B . CA 10 HOH 192 1692 1569 HOH HOH B . CA 10 HOH 193 1693 1495 HOH HOH B . CA 10 HOH 194 1694 1476 HOH HOH B . CA 10 HOH 195 1695 1500 HOH HOH B . CA 10 HOH 196 1696 1324 HOH HOH B . CA 10 HOH 197 1697 1473 HOH HOH B . CA 10 HOH 198 1698 1641 HOH HOH B . CA 10 HOH 199 1699 1536 HOH HOH B . CA 10 HOH 200 1700 1553 HOH HOH B . CA 10 HOH 201 1701 1636 HOH HOH B . CA 10 HOH 202 1702 1600 HOH HOH B . CA 10 HOH 203 1703 1543 HOH HOH B . CA 10 HOH 204 1704 1535 HOH HOH B . CA 10 HOH 205 1705 1549 HOH HOH B . CA 10 HOH 206 1706 1530 HOH HOH B . CA 10 HOH 207 1707 1532 HOH HOH B . CA 10 HOH 208 1708 1634 HOH HOH B . CA 10 HOH 209 1709 1616 HOH HOH B . CA 10 HOH 210 1710 1432 HOH HOH B . CA 10 HOH 211 1711 1538 HOH HOH B . CA 10 HOH 212 1712 1635 HOH HOH B . CA 10 HOH 213 1713 1443 HOH HOH B . CA 10 HOH 214 1714 1567 HOH HOH B . CA 10 HOH 215 1715 1575 HOH HOH B . CA 10 HOH 216 1716 1472 HOH HOH B . CA 10 HOH 217 1717 1518 HOH HOH B . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,BA 2 1 B,R,S,T,U,V,W,X,Y,Z,AA,CA # _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 ? C ZN . ? A ZN 401 ? 1_555 O ? A TRP 1 ? A TRP 21 ? 1_555 78.4 ? 2 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 114.6 ? 3 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 90.6 ? 4 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 89.8 ? 5 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 167.7 ? 6 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 91.1 ? 7 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 136.8 ? 8 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 99.5 ? 9 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 108.6 ? 10 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 91.5 ? 11 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 83.5 ? 12 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 83.7 ? 13 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 98.4 ? 14 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 177.0 ? 15 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 95.9 ? 16 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 93.4 ? 17 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 83.0 ? 18 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 148.6 ? 19 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 108.2 ? 20 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 O3 ? H PO4 . ? A PO4 601 ? 1_555 98.9 ? 21 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O1P ? I AMP . ? A AMP 701 ? 1_555 77.5 ? 22 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1547 ? 1_555 77.1 ? 23 O1P ? I AMP . ? A AMP 701 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1547 ? 1_555 70.8 ? 24 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1542 ? 1_555 108.3 ? 25 O1P ? I AMP . ? A AMP 701 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1542 ? 1_555 72.6 ? 26 O ? BA HOH . ? A HOH 1547 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1542 ? 1_555 140.7 ? 27 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1721 ? 1_555 139.7 ? 28 O1P ? I AMP . ? A AMP 701 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1721 ? 1_555 131.8 ? 29 O ? BA HOH . ? A HOH 1547 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1721 ? 1_555 133.2 ? 30 O ? BA HOH . ? A HOH 1542 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1721 ? 1_555 67.1 ? 31 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1555 ? 1_455 155.9 ? 32 O1P ? I AMP . ? A AMP 701 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1555 ? 1_455 93.7 ? 33 O ? BA HOH . ? A HOH 1547 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1555 ? 1_455 78.8 ? 34 O ? BA HOH . ? A HOH 1542 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1555 ? 1_455 89.9 ? 35 O ? BA HOH . ? A HOH 1721 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1555 ? 1_455 61.7 ? 36 OD2 ? A ASP 63 ? A ASP 83 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 90.8 ? 37 O1P ? I AMP . ? A AMP 701 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 162.6 ? 38 O ? BA HOH . ? A HOH 1547 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 94.2 ? 39 O ? BA HOH . ? A HOH 1542 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 123.9 ? 40 O ? BA HOH . ? A HOH 1721 ? 1_555 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 65.0 ? 41 O ? BA HOH . ? A HOH 1555 ? 1_455 NA ? J NA . ? A NA 801 ? 1_555 O ? BA HOH . ? A HOH 1701 ? 1_455 91.9 ? 42 O ? A LEU 98 ? A LEU 118 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? BA HOH . ? A HOH 1559 ? 1_555 121.1 ? 43 O ? A LEU 98 ? A LEU 118 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH5 ? Q ETE . ? A ETE 1101 ? 1_555 148.3 ? 44 O ? BA HOH . ? A HOH 1559 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH5 ? Q ETE . ? A ETE 1101 ? 1_555 90.2 ? 45 O ? A LEU 98 ? A LEU 118 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? BA HOH . ? A HOH 1596 ? 1_555 93.9 ? 46 O ? BA HOH . ? A HOH 1559 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? BA HOH . ? A HOH 1596 ? 1_555 84.7 ? 47 OH5 ? Q ETE . ? A ETE 1101 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? BA HOH . ? A HOH 1596 ? 1_555 83.8 ? 48 O ? A LEU 98 ? A LEU 118 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH6 ? Q ETE . ? A ETE 1101 ? 1_555 85.3 ? 49 O ? BA HOH . ? A HOH 1559 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH6 ? Q ETE . ? A ETE 1101 ? 1_555 153.3 ? 50 OH5 ? Q ETE . ? A ETE 1101 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH6 ? Q ETE . ? A ETE 1101 ? 1_555 63.9 ? 51 O ? BA HOH . ? A HOH 1596 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 OH6 ? Q ETE . ? A ETE 1101 ? 1_555 98.0 ? 52 O ? A LEU 98 ? A LEU 118 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? A SER 229 ? A SER 249 ? 1_555 73.2 ? 53 O ? BA HOH . ? A HOH 1559 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? A SER 229 ? A SER 249 ? 1_555 66.4 ? 54 OH5 ? Q ETE . ? A ETE 1101 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? A SER 229 ? A SER 249 ? 1_555 121.2 ? 55 O ? BA HOH . ? A HOH 1596 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? A SER 229 ? A SER 249 ? 1_555 43.1 ? 56 OH6 ? Q ETE . ? A ETE 1101 ? 1_555 NA ? K NA . ? A NA 802 ? 1_555 O ? A SER 229 ? A SER 249 ? 1_555 131.6 ? 57 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 97.8 ? 58 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 140.5 ? 59 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 91.2 ? 60 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O1 ? H PO4 . ? A PO4 601 ? 1_555 88.6 ? 61 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O1 ? H PO4 . ? A PO4 601 ? 1_555 172.7 ? 62 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O1 ? H PO4 . ? A PO4 601 ? 1_555 81.6 ? 63 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O ? BA HOH . ? A HOH 1203 ? 1_555 107.6 ? 64 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O ? BA HOH . ? A HOH 1203 ? 1_555 90.3 ? 65 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O ? BA HOH . ? A HOH 1203 ? 1_555 110.8 ? 66 O1 ? H PO4 . ? A PO4 601 ? 1_555 ZN ? E ZN . ? A ZN 403 ? 1_555 O ? BA HOH . ? A HOH 1203 ? 1_555 91.2 ? 67 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1708 ? 1_555 164.6 ? 68 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1523 ? 1_555 82.7 ? 69 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1523 ? 1_555 82.7 ? 70 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? BA HOH . ? A HOH 1642 ? 1_555 72.2 ? 71 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? BA HOH . ? A HOH 1642 ? 1_555 118.2 ? 72 O ? CA HOH . ? B HOH 1523 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? BA HOH . ? A HOH 1642 ? 1_555 143.0 ? 73 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1535 ? 1_555 83.2 ? 74 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1535 ? 1_555 89.1 ? 75 O ? CA HOH . ? B HOH 1523 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1535 ? 1_555 77.8 ? 76 O ? BA HOH . ? A HOH 1642 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1535 ? 1_555 72.7 ? 77 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1712 ? 1_555 126.1 ? 78 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1712 ? 1_555 59.3 ? 79 O ? CA HOH . ? B HOH 1523 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1712 ? 1_555 120.9 ? 80 O ? BA HOH . ? A HOH 1642 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1712 ? 1_555 60.5 ? 81 O ? CA HOH . ? B HOH 1535 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1712 ? 1_555 59.9 ? 82 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 118.1 ? 83 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 77.2 ? 84 O ? CA HOH . ? B HOH 1523 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 156.5 ? 85 O ? BA HOH . ? A HOH 1642 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 59.6 ? 86 O ? CA HOH . ? B HOH 1535 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 113.6 ? 87 O ? CA HOH . ? B HOH 1712 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1590 ? 1_545 57.4 ? 88 O ? A SER 186 ? A SER 206 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 89.0 ? 89 O ? CA HOH . ? B HOH 1708 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 93.5 ? 90 O ? CA HOH . ? B HOH 1523 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 81.9 ? 91 O ? BA HOH . ? A HOH 1642 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 123.3 ? 92 O ? CA HOH . ? B HOH 1535 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 159.0 ? 93 O ? CA HOH . ? B HOH 1712 ? 1_555 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 137.9 ? 94 O ? CA HOH . ? B HOH 1590 ? 1_545 CA ? N CA . ? A CA 903 ? 1_555 O ? CA HOH . ? B HOH 1545 ? 1_545 87.2 ? 95 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 85.3 ? 96 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O ? BA HOH . ? A HOH 1570 ? 1_555 79.8 ? 97 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O ? BA HOH . ? A HOH 1570 ? 1_555 89.3 ? 98 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O6 ? O BTB . ? A BTB 1001 ? 1_555 82.0 ? 99 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O6 ? O BTB . ? A BTB 1001 ? 1_555 165.4 ? 100 O ? BA HOH . ? A HOH 1570 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O6 ? O BTB . ? A BTB 1001 ? 1_555 81.5 ? 101 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O1 ? O BTB . ? A BTB 1001 ? 1_555 145.0 ? 102 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O1 ? O BTB . ? A BTB 1001 ? 1_555 66.9 ? 103 O ? BA HOH . ? A HOH 1570 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O1 ? O BTB . ? A BTB 1001 ? 1_555 118.9 ? 104 O6 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O1 ? O BTB . ? A BTB 1001 ? 1_555 127.5 ? 105 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O4 ? O BTB . ? A BTB 1001 ? 1_555 145.3 ? 106 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O4 ? O BTB . ? A BTB 1001 ? 1_555 111.0 ? 107 O ? BA HOH . ? A HOH 1570 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O4 ? O BTB . ? A BTB 1001 ? 1_555 70.3 ? 108 O6 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O4 ? O BTB . ? A BTB 1001 ? 1_555 76.5 ? 109 O1 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O4 ? O BTB . ? A BTB 1001 ? 1_555 68.3 ? 110 O ? A ASP 189 ? A ASP 209 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 72.9 ? 111 OD1 ? A ASP 193 ? A ASP 213 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 94.1 ? 112 O ? BA HOH . ? A HOH 1570 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 152.1 ? 113 O6 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 88.9 ? 114 O1 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 87.7 ? 115 O4 ? O BTB . ? A BTB 1001 ? 1_555 CA ? L CA . ? A CA 901 ? 1_555 O8 ? O BTB . ? A BTB 1001 ? 1_555 132.8 ? 116 N ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 O ? B TRP 1 ? B TRP 21 ? 1_555 75.7 ? 117 N ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 NE2 ? B HIS 6 ? B HIS 26 ? 1_555 112.7 ? 118 O ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 NE2 ? B HIS 6 ? B HIS 26 ? 1_555 91.4 ? 119 N ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 OD1 ? B ASP 119 ? B ASP 139 ? 1_555 89.9 ? 120 O ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 OD1 ? B ASP 119 ? B ASP 139 ? 1_555 165.2 ? 121 NE2 ? B HIS 6 ? B HIS 26 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 OD1 ? B ASP 119 ? B ASP 139 ? 1_555 91.0 ? 122 N ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 138.3 ? 123 O ? B TRP 1 ? B TRP 21 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 99.2 ? 124 NE2 ? B HIS 6 ? B HIS 26 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 108.8 ? 125 OD1 ? B ASP 119 ? B ASP 139 ? 1_555 ZN ? R ZN . ? B ZN 401 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 93.9 ? 126 OD1 ? B ASP 45 ? B ASP 65 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 ND1 ? B HIS 60 ? B HIS 80 ? 1_555 83.8 ? 127 OD1 ? B ASP 45 ? B ASP 65 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 NE2 ? B HIS 115 ? B HIS 135 ? 1_555 84.7 ? 128 ND1 ? B HIS 60 ? B HIS 80 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 NE2 ? B HIS 115 ? B HIS 135 ? 1_555 101.0 ? 129 OD1 ? B ASP 45 ? B ASP 65 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 OD2 ? B ASP 119 ? B ASP 139 ? 1_555 177.4 ? 130 ND1 ? B HIS 60 ? B HIS 80 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 OD2 ? B ASP 119 ? B ASP 139 ? 1_555 97.9 ? 131 NE2 ? B HIS 115 ? B HIS 135 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 OD2 ? B ASP 119 ? B ASP 139 ? 1_555 93.0 ? 132 OD1 ? B ASP 45 ? B ASP 65 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 82.6 ? 133 ND1 ? B HIS 60 ? B HIS 80 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 150.7 ? 134 NE2 ? B HIS 115 ? B HIS 135 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 103.4 ? 135 OD2 ? B ASP 119 ? B ASP 139 ? 1_555 ZN ? S ZN . ? B ZN 402 ? 1_555 O1 ? U PO4 . ? B PO4 601 ? 1_555 96.7 ? 136 OD2 ? B ASP 63 ? B ASP 83 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O1P ? V AMP . ? B AMP 701 ? 1_555 80.1 ? 137 OD2 ? B ASP 63 ? B ASP 83 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1574 ? 1_555 101.7 ? 138 O1P ? V AMP . ? B AMP 701 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1574 ? 1_555 71.7 ? 139 OD2 ? B ASP 63 ? B ASP 83 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1705 ? 1_655 130.1 ? 140 O1P ? V AMP . ? B AMP 701 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1705 ? 1_655 149.8 ? 141 O ? CA HOH . ? B HOH 1574 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1705 ? 1_655 99.1 ? 142 OD2 ? B ASP 63 ? B ASP 83 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1689 ? 1_655 153.0 ? 143 O1P ? V AMP . ? B AMP 701 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1689 ? 1_655 95.3 ? 144 O ? CA HOH . ? B HOH 1574 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1689 ? 1_655 102.0 ? 145 O ? CA HOH . ? B HOH 1705 ? 1_655 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1689 ? 1_655 57.6 ? 146 OD2 ? B ASP 63 ? B ASP 83 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1534 ? 1_655 81.4 ? 147 O1P ? V AMP . ? B AMP 701 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1534 ? 1_655 67.5 ? 148 O ? CA HOH . ? B HOH 1574 ? 1_555 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1534 ? 1_655 137.9 ? 149 O ? CA HOH . ? B HOH 1705 ? 1_655 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1534 ? 1_655 110.8 ? 150 O ? CA HOH . ? B HOH 1689 ? 1_655 NA ? W NA . ? B NA 801 ? 1_555 O ? CA HOH . ? B HOH 1534 ? 1_655 72.4 ? 151 NE2 ? B HIS 125 ? B HIS 145 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 NE2 ? B HIS 148 ? B HIS 168 ? 1_555 96.6 ? 152 NE2 ? B HIS 125 ? B HIS 145 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 OD2 ? B ASP 152 ? B ASP 172 ? 1_555 139.7 ? 153 NE2 ? B HIS 148 ? B HIS 168 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 OD2 ? B ASP 152 ? B ASP 172 ? 1_555 91.4 ? 154 NE2 ? B HIS 125 ? B HIS 145 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O3 ? U PO4 . ? B PO4 601 ? 1_555 86.1 ? 155 NE2 ? B HIS 148 ? B HIS 168 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O3 ? U PO4 . ? B PO4 601 ? 1_555 177.1 ? 156 OD2 ? B ASP 152 ? B ASP 172 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O3 ? U PO4 . ? B PO4 601 ? 1_555 85.9 ? 157 NE2 ? B HIS 125 ? B HIS 145 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O ? CA HOH . ? B HOH 1203 ? 1_555 110.8 ? 158 NE2 ? B HIS 148 ? B HIS 168 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O ? CA HOH . ? B HOH 1203 ? 1_555 87.8 ? 159 OD2 ? B ASP 152 ? B ASP 172 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O ? CA HOH . ? B HOH 1203 ? 1_555 109.0 ? 160 O3 ? U PO4 . ? B PO4 601 ? 1_555 ZN ? T ZN . ? B ZN 403 ? 1_555 O ? CA HOH . ? B HOH 1203 ? 1_555 92.1 ? 161 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 89.6 ? 162 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O6 ? Z BTB . ? B BTB 1001 ? 1_555 78.1 ? 163 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O6 ? Z BTB . ? B BTB 1001 ? 1_555 165.1 ? 164 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O3 ? Z BTB . ? B BTB 1001 ? 1_555 143.9 ? 165 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O3 ? Z BTB . ? B BTB 1001 ? 1_555 109.6 ? 166 O6 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O3 ? Z BTB . ? B BTB 1001 ? 1_555 77.2 ? 167 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O4 ? Z BTB . ? B BTB 1001 ? 1_555 149.6 ? 168 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O4 ? Z BTB . ? B BTB 1001 ? 1_555 65.5 ? 169 O6 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O4 ? Z BTB . ? B BTB 1001 ? 1_555 128.8 ? 170 O3 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O4 ? Z BTB . ? B BTB 1001 ? 1_555 65.0 ? 171 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O8 ? Z BTB . ? B BTB 1001 ? 1_555 70.0 ? 172 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O8 ? Z BTB . ? B BTB 1001 ? 1_555 88.4 ? 173 O6 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O8 ? Z BTB . ? B BTB 1001 ? 1_555 95.0 ? 174 O3 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O8 ? Z BTB . ? B BTB 1001 ? 1_555 138.0 ? 175 O4 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O8 ? Z BTB . ? B BTB 1001 ? 1_555 91.3 ? 176 O ? B ASP 189 ? B ASP 209 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 79.0 ? 177 OD1 ? B ASP 193 ? B ASP 213 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 91.5 ? 178 O6 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 78.1 ? 179 O3 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 70.5 ? 180 O4 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 116.8 ? 181 O8 ? Z BTB . ? B BTB 1001 ? 1_555 CA ? X CA . ? B CA 901 ? 1_555 O ? CA HOH . ? B HOH 1550 ? 1_555 149.0 ? 182 O3 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O4 ? P BTB . ? A BTB 1002 ? 1_555 65.3 ? 183 O3 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O6 ? P BTB . ? A BTB 1002 ? 1_555 89.2 ? 184 O4 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O6 ? P BTB . ? A BTB 1002 ? 1_555 127.9 ? 185 O3 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O8 ? P BTB . ? A BTB 1002 ? 1_555 136.3 ? 186 O4 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O8 ? P BTB . ? A BTB 1002 ? 1_555 84.4 ? 187 O6 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O8 ? P BTB . ? A BTB 1002 ? 1_555 85.4 ? 188 O3 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O ? BA HOH . ? A HOH 1507 ? 1_555 158.2 ? 189 O4 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O ? BA HOH . ? A HOH 1507 ? 1_555 119.3 ? 190 O6 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O ? BA HOH . ? A HOH 1507 ? 1_555 101.2 ? 191 O8 ? P BTB . ? A BTB 1002 ? 1_555 CA ? M CA . ? A CA 902 ? 1_555 O ? BA HOH . ? A HOH 1507 ? 1_555 64.3 ? 192 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1585 ? 1_555 76.0 ? 193 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O1 ? AA BTB . ? B BTB 1002 ? 1_555 87.5 ? 194 O ? CA HOH . ? B HOH 1585 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O1 ? AA BTB . ? B BTB 1002 ? 1_555 147.8 ? 195 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O3 ? AA BTB . ? B BTB 1002 ? 1_555 138.1 ? 196 O ? CA HOH . ? B HOH 1585 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O3 ? AA BTB . ? B BTB 1002 ? 1_555 139.2 ? 197 O1 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O3 ? AA BTB . ? B BTB 1002 ? 1_555 69.5 ? 198 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O8 ? AA BTB . ? B BTB 1002 ? 1_555 89.1 ? 199 O ? CA HOH . ? B HOH 1585 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O8 ? AA BTB . ? B BTB 1002 ? 1_555 71.6 ? 200 O1 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O8 ? AA BTB . ? B BTB 1002 ? 1_555 136.6 ? 201 O3 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O8 ? AA BTB . ? B BTB 1002 ? 1_555 85.1 ? 202 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1543 ? 1_555 99.0 ? 203 O ? CA HOH . ? B HOH 1585 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1543 ? 1_555 89.6 ? 204 O1 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1543 ? 1_555 65.5 ? 205 O3 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1543 ? 1_555 102.2 ? 206 O8 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1543 ? 1_555 157.1 ? 207 O6 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 141.6 ? 208 O ? CA HOH . ? B HOH 1585 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 65.6 ? 209 O1 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 125.0 ? 210 O3 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 77.9 ? 211 O8 ? AA BTB . ? B BTB 1002 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 80.2 ? 212 O ? CA HOH . ? B HOH 1543 ? 1_555 CA ? Y CA . ? B CA 902 ? 1_555 O ? CA HOH . ? B HOH 1595 ? 1_555 80.2 ? # 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' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 5 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 71 ? ? CG A ASP 71 ? ? OD1 A ASP 71 ? ? 126.56 118.30 8.26 0.90 N 2 1 CB A ASP 71 ? ? CG A ASP 71 ? ? OD2 A ASP 71 ? ? 110.87 118.30 -7.43 0.90 N 3 1 NE A ARG 198 ? ? CZ A ARG 198 ? ? NH2 A ARG 198 ? ? 116.73 120.30 -3.57 0.50 N 4 1 CB B ASP 71 ? ? CG B ASP 71 ? ? OD1 B ASP 71 ? ? 125.69 118.30 7.39 0.90 N 5 1 CB B ASP 71 ? ? CG B ASP 71 ? ? OD2 B ASP 71 ? ? 111.45 118.30 -6.85 0.90 N 6 1 CB B ASP 157 ? ? CG B ASP 157 ? ? OD2 B ASP 157 ? ? 111.21 118.30 -7.09 0.90 N 7 1 NE B ARG 198 ? ? CZ B ARG 198 ? ? NH2 B ARG 198 ? ? 117.01 120.30 -3.29 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLN A 85 ? ? -100.61 70.33 2 1 ASP A 86 ? ? -113.91 -164.69 3 1 THR A 165 ? ? -153.63 -151.77 4 1 THR A 173 ? ? -131.69 -65.16 5 1 THR A 238 ? ? -140.54 -51.40 6 1 GLN B 85 ? ? -103.07 69.96 7 1 ASP B 86 ? ? -113.05 -165.06 8 1 SER B 120 ? ? -142.06 51.50 9 1 THR B 165 ? ? -154.64 -152.10 10 1 THR B 173 ? ? -135.30 -65.82 11 1 TYR B 183 ? ? -144.91 -2.50 12 1 THR B 238 ? ? -139.30 -53.08 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id B _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 1717 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 5.81 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'Ministry of Education, Youth and Sports of the Czech Republic' 'Czech Republic' LG14009 1 ;BIOCEV: Biotechnology and Biomedicine Centre of the Academy of Sciences and Charles University from the European Regional Development Fund ; 'Czech Republic' CZ.1.05/1.1.00/02.0109 2 'European Community' ? 283570/8787 3 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'PHOSPHATE ION' PO4 5 'ADENOSINE MONOPHOSPHATE' AMP 6 'SODIUM ION' NA 7 'CALCIUM ION' CA 8 '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL' BTB 9 '2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' ETE 10 water HOH #