data_1RK1 # _entry.id 1RK1 # _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 1RK1 RCSB RCSB020823 WWPDB D_1000020823 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1RK1 _pdbx_database_status.recvd_initial_deposition_date 2003-11-20 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Miley, M.J.' 1 'Messaoudi, I.' 2 'Nikolich-Zugich, J.' 3 'Fremont, D.H.' 4 # _citation.id primary _citation.title 'Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution' _citation.journal_abbrev J.Exp.Med. _citation.journal_volume 200 _citation.page_first 1445 _citation.page_last 1454 _citation.year 2004 _citation.journal_id_ASTM JEMEAV _citation.country US _citation.journal_id_ISSN 0022-1007 _citation.journal_id_CSD 0774 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 15557346 _citation.pdbx_database_id_DOI 10.1084/jem.20040217 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Miley, M.J.' 1 primary 'Messaoudi, I.' 2 primary 'Metzner, B.M.' 3 primary 'Wu, Y.' 4 primary 'Nikolich-Zugich, J.' 5 primary 'Fremont, D.H.' 6 # _cell.entry_id 1RK1 _cell.length_a 135.243 _cell.length_b 89.543 _cell.length_c 45.253 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1RK1 _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'H-2 class I histocompatibility antigen, K-B alpha chain' 31648.322 1 ? ? 'extracellular domain' ? 2 polymer man Beta-2-microglobulin 11704.359 1 ? ? ? ? 3 polymer syn 'Glycoprotein B' 965.082 1 ? S2E ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 5 non-polymer man BETA-L-FUCOSE 164.156 1 ? ? ? ? 6 water nat water 18.015 255 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name H-2KB # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;GPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRT LLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYL EGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGT FQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW ; ;GPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRT LLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYL EGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGT FQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW ; A ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; B ? 3 'polypeptide(L)' no no SEIEFARL SEIEFARL P ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 PRO n 1 3 HIS n 1 4 SER n 1 5 LEU n 1 6 ARG n 1 7 TYR n 1 8 PHE n 1 9 VAL n 1 10 THR n 1 11 ALA n 1 12 VAL n 1 13 SER n 1 14 ARG n 1 15 PRO n 1 16 GLY n 1 17 LEU n 1 18 GLY n 1 19 GLU n 1 20 PRO n 1 21 ARG n 1 22 TYR n 1 23 MET n 1 24 GLU n 1 25 VAL n 1 26 GLY n 1 27 TYR n 1 28 VAL n 1 29 ASP n 1 30 ASP n 1 31 THR n 1 32 GLU n 1 33 PHE n 1 34 VAL n 1 35 ARG n 1 36 PHE n 1 37 ASP n 1 38 SER n 1 39 ASP n 1 40 ALA n 1 41 GLU n 1 42 ASN n 1 43 PRO n 1 44 ARG n 1 45 TYR n 1 46 GLU n 1 47 PRO n 1 48 ARG n 1 49 ALA n 1 50 ARG n 1 51 TRP n 1 52 MET n 1 53 GLU n 1 54 GLN n 1 55 GLU n 1 56 GLY n 1 57 PRO n 1 58 GLU n 1 59 TYR n 1 60 TRP n 1 61 GLU n 1 62 ARG n 1 63 GLU n 1 64 THR n 1 65 GLN n 1 66 LYS n 1 67 ALA n 1 68 LYS n 1 69 GLY n 1 70 ASN n 1 71 GLU n 1 72 GLN n 1 73 SER n 1 74 PHE n 1 75 ARG n 1 76 VAL n 1 77 ASP n 1 78 LEU n 1 79 ARG n 1 80 THR n 1 81 LEU n 1 82 LEU n 1 83 GLY n 1 84 TYR n 1 85 TYR n 1 86 ASN n 1 87 GLN n 1 88 SER n 1 89 LYS n 1 90 GLY n 1 91 GLY n 1 92 SER n 1 93 HIS n 1 94 THR n 1 95 ILE n 1 96 GLN n 1 97 VAL n 1 98 ILE n 1 99 SER n 1 100 GLY n 1 101 CYS n 1 102 GLU n 1 103 VAL n 1 104 GLY n 1 105 SER n 1 106 ASP n 1 107 GLY n 1 108 ARG n 1 109 LEU n 1 110 LEU n 1 111 ARG n 1 112 GLY n 1 113 TYR n 1 114 GLN n 1 115 GLN n 1 116 TYR n 1 117 ALA n 1 118 TYR n 1 119 ASP n 1 120 GLY n 1 121 CYS n 1 122 ASP n 1 123 TYR n 1 124 ILE n 1 125 ALA n 1 126 LEU n 1 127 ASN n 1 128 GLU n 1 129 ASP n 1 130 LEU n 1 131 LYS n 1 132 THR n 1 133 TRP n 1 134 THR n 1 135 ALA n 1 136 ALA n 1 137 ASP n 1 138 MET n 1 139 ALA n 1 140 ALA n 1 141 LEU n 1 142 ILE n 1 143 THR n 1 144 LYS n 1 145 HIS n 1 146 LYS n 1 147 TRP n 1 148 GLU n 1 149 GLN n 1 150 ALA n 1 151 GLY n 1 152 GLU n 1 153 ALA n 1 154 GLU n 1 155 ARG n 1 156 LEU n 1 157 ARG n 1 158 ALA n 1 159 TYR n 1 160 LEU n 1 161 GLU n 1 162 GLY n 1 163 THR n 1 164 CYS n 1 165 VAL n 1 166 GLU n 1 167 TRP n 1 168 LEU n 1 169 ARG n 1 170 ARG n 1 171 TYR n 1 172 LEU n 1 173 LYS n 1 174 ASN n 1 175 GLY n 1 176 ASN n 1 177 ALA n 1 178 THR n 1 179 LEU n 1 180 LEU n 1 181 ARG n 1 182 THR n 1 183 ASP n 1 184 SER n 1 185 PRO n 1 186 LYS n 1 187 ALA n 1 188 HIS n 1 189 VAL n 1 190 THR n 1 191 HIS n 1 192 HIS n 1 193 SER n 1 194 ARG n 1 195 PRO n 1 196 GLU n 1 197 ASP n 1 198 LYS n 1 199 VAL n 1 200 THR n 1 201 LEU n 1 202 ARG n 1 203 CYS n 1 204 TRP n 1 205 ALA n 1 206 LEU n 1 207 GLY n 1 208 PHE n 1 209 TYR n 1 210 PRO n 1 211 ALA n 1 212 ASP n 1 213 ILE n 1 214 THR n 1 215 LEU n 1 216 THR n 1 217 TRP n 1 218 GLN n 1 219 LEU n 1 220 ASN n 1 221 GLY n 1 222 GLU n 1 223 GLU n 1 224 LEU n 1 225 ILE n 1 226 GLN n 1 227 ASP n 1 228 MET n 1 229 GLU n 1 230 LEU n 1 231 VAL n 1 232 GLU n 1 233 THR n 1 234 ARG n 1 235 PRO n 1 236 ALA n 1 237 GLY n 1 238 ASP n 1 239 GLY n 1 240 THR n 1 241 PHE n 1 242 GLN n 1 243 LYS n 1 244 TRP n 1 245 ALA n 1 246 SER n 1 247 VAL n 1 248 VAL n 1 249 VAL n 1 250 PRO n 1 251 LEU n 1 252 GLY n 1 253 LYS n 1 254 GLU n 1 255 GLN n 1 256 TYR n 1 257 TYR n 1 258 THR n 1 259 CYS n 1 260 HIS n 1 261 VAL n 1 262 TYR n 1 263 HIS n 1 264 GLN n 1 265 GLY n 1 266 LEU n 1 267 PRO n 1 268 GLU n 1 269 PRO n 1 270 LEU n 1 271 THR n 1 272 LEU n 1 273 ARG n 1 274 TRP n 2 1 ILE n 2 2 GLN n 2 3 LYS n 2 4 THR n 2 5 PRO n 2 6 GLN n 2 7 ILE n 2 8 GLN n 2 9 VAL n 2 10 TYR n 2 11 SER n 2 12 ARG n 2 13 HIS n 2 14 PRO n 2 15 PRO n 2 16 GLU n 2 17 ASN n 2 18 GLY n 2 19 LYS n 2 20 PRO n 2 21 ASN n 2 22 ILE n 2 23 LEU n 2 24 ASN n 2 25 CYS n 2 26 TYR n 2 27 VAL n 2 28 THR n 2 29 GLN n 2 30 PHE n 2 31 HIS n 2 32 PRO n 2 33 PRO n 2 34 HIS n 2 35 ILE n 2 36 GLU n 2 37 ILE n 2 38 GLN n 2 39 MET n 2 40 LEU n 2 41 LYS n 2 42 ASN n 2 43 GLY n 2 44 LYS n 2 45 LYS n 2 46 ILE n 2 47 PRO n 2 48 LYS n 2 49 VAL n 2 50 GLU n 2 51 MET n 2 52 SER n 2 53 ASP n 2 54 MET n 2 55 SER n 2 56 PHE n 2 57 SER n 2 58 LYS n 2 59 ASP n 2 60 TRP n 2 61 SER n 2 62 PHE n 2 63 TYR n 2 64 ILE n 2 65 LEU n 2 66 ALA n 2 67 HIS n 2 68 THR n 2 69 GLU n 2 70 PHE n 2 71 THR n 2 72 PRO n 2 73 THR n 2 74 GLU n 2 75 THR n 2 76 ASP n 2 77 THR n 2 78 TYR n 2 79 ALA n 2 80 CYS n 2 81 ARG n 2 82 VAL n 2 83 LYS n 2 84 HIS n 2 85 ASP n 2 86 SER n 2 87 MET n 2 88 ALA n 2 89 GLU n 2 90 PRO n 2 91 LYS n 2 92 THR n 2 93 VAL n 2 94 TYR n 2 95 TRP n 2 96 ASP n 2 97 ARG n 2 98 ASP n 2 99 MET n 3 1 SER n 3 2 GLU n 3 3 ILE n 3 4 GLU n 3 5 PHE n 3 6 ALA n 3 7 ARG n 3 8 LEU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _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 1 1 sample ? ? ? 'house mouse' Mus H2-K ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fruit fly' 'Drosophila melanogaster' 7227 Drosophila ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? 'house mouse' Mus B2M ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fruit fly' 'Drosophila melanogaster' 7227 Drosophila ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific ? _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id ? _pdbx_entity_src_syn.details 'naturally occuring sequence in herpes simplex virus with S2E point mutation' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP HA1B_MOUSE P01901 1 ;GPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRT LLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYL EGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGT FQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW ; 22 ? 2 UNP B2MG_MOUSE P01887 2 ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; 21 ? 3 UNP VGLB_HSV1F P06436 3 SSIEFARL 498 ? # 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 1RK1 A 1 ? 274 ? P01901 22 ? 295 ? 1 274 2 2 1RK1 B 1 ? 99 ? P01887 21 ? 119 ? 1 99 3 3 1RK1 P 1 ? 8 ? P06436 498 ? 505 ? 1 8 # _struct_ref_seq_dif.align_id 3 _struct_ref_seq_dif.pdbx_pdb_id_code 1RK1 _struct_ref_seq_dif.mon_id GLU _struct_ref_seq_dif.pdbx_pdb_strand_id P _struct_ref_seq_dif.seq_num 2 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P06436 _struct_ref_seq_dif.db_mon_id SER _struct_ref_seq_dif.pdbx_seq_db_seq_num 499 _struct_ref_seq_dif.details ENGINEERED _struct_ref_seq_dif.pdbx_auth_seq_num 2 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1RK1 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 60.19 _exptl_crystal.description ? _exptl_crystal.density_Matthews 3.09 _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details 'K/NA PHOSPHATE, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 110 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type CUSTOM-MADE _diffrn_detector.pdbx_collection_date 1998-06-22 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator SI _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength .97945 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 19-ID' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 19-ID _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list .97945 # _reflns.entry_id 1RK1 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.6 _reflns.number_obs 32839 _reflns.number_all 32839 _reflns.percent_possible_obs 99.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.091 _reflns.pdbx_netI_over_sigmaI 15 _reflns.B_iso_Wilson_estimate 31.7 _reflns.pdbx_redundancy 4.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.6 _reflns_shell.d_res_low 2.7 _reflns_shell.percent_possible_all 99.9 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.369 _reflns_shell.meanI_over_sigI_obs 3.91 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1RK1 _refine.ls_number_reflns_obs 31403 _refine.ls_number_reflns_all 31403 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 349772.79 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.97 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 95.5 _refine.ls_R_factor_obs 0.208 _refine.ls_R_factor_all 0.208 _refine.ls_R_factor_R_work 0.208 _refine.ls_R_factor_R_free 0.23 _refine.ls_R_factor_R_free_error 0.006 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1555 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 32.8 _refine.aniso_B[1][1] -3.75 _refine.aniso_B[2][2] 10.04 _refine.aniso_B[3][3] -6.29 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.354882 _refine.solvent_model_param_bsol 49.861 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'BULK SOLVENT MODEL USED' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 1RK1 _refine_analyze.Luzzati_coordinate_error_obs 0.25 _refine_analyze.Luzzati_sigma_a_obs 0.16 _refine_analyze.Luzzati_d_res_low_obs 20.00 _refine_analyze.Luzzati_coordinate_error_free 0.28 _refine_analyze.Luzzati_sigma_a_free 0.22 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3121 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 38 _refine_hist.number_atoms_solvent 255 _refine_hist.number_atoms_total 3414 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 19.97 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.006 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 25.2 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 0.70 ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.39 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 2.17 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 2.35 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 3.55 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.10 _refine_ls_shell.d_res_low 2.23 _refine_ls_shell.number_reflns_R_work 4563 _refine_ls_shell.R_factor_R_work 0.242 _refine_ls_shell.percent_reflns_obs 89.1 _refine_ls_shell.R_factor_R_free 0.271 _refine_ls_shell.R_factor_R_free_error 0.017 _refine_ls_shell.percent_reflns_R_free 5.2 _refine_ls_shell.number_reflns_R_free 251 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' 2 CARBOHYDRATE.PARAM CARBOHYDRATE.TOP 'X-RAY DIFFRACTION' 3 WATER_REP.PARAM WATER.TOP 'X-RAY DIFFRACTION' # _struct.entry_id 1RK1 _struct.title 'Mhc Class I Natural H-2Kb Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Mutant Glycoprotein B Peptide' _struct.pdbx_descriptor 'H-2 class I histocompatibility antigen, K-B alpha chain, Beta-2-microglobulin, Glycoprotein B' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1RK1 _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'MHC, class I, virus, TCR, herpes, IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 5 ? G N N 6 ? H N N 6 ? I N N 6 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 49 ? GLU A 55 ? ALA A 49 GLU A 55 5 ? 7 HELX_P HELX_P2 2 GLY A 56 ? ASN A 86 ? GLY A 56 ASN A 86 1 ? 31 HELX_P HELX_P3 3 ASP A 137 ? GLY A 151 ? ASP A 137 GLY A 151 1 ? 15 HELX_P HELX_P4 4 GLY A 151 ? GLY A 162 ? GLY A 151 GLY A 162 1 ? 12 HELX_P HELX_P5 5 GLY A 162 ? GLY A 175 ? GLY A 162 GLY A 175 1 ? 14 HELX_P HELX_P6 6 GLY A 175 ? LEU A 180 ? GLY A 175 LEU A 180 1 ? 6 HELX_P HELX_P7 7 LYS A 253 ? GLN A 255 ? LYS A 253 GLN A 255 5 ? 3 # _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 101 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 101 A CYS 164 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 203 SG ? ? ? 1_555 A CYS 259 SG ? ? A CYS 203 A CYS 259 1_555 ? ? ? ? ? ? ? 2.015 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? A ASN 86 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 86 A NAG 801 1_555 ? ? ? ? ? ? ? 1.452 ? covale2 covale ? ? A ASN 176 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 176 A NAG 802 1_555 ? ? ? ? ? ? ? 1.451 ? covale3 covale ? ? E NAG . O6 ? ? ? 1_555 F FUL . C1 ? ? A NAG 802 A FUL 901 1_555 ? ? ? ? ? ? ? 1.400 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? 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 TYR 209 A . ? TYR 209 A PRO 210 A ? PRO 210 A 1 0.05 2 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 -0.22 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLU A 46 ? PRO A 47 ? GLU A 46 PRO A 47 A 2 THR A 31 ? ASP A 37 ? THR A 31 ASP A 37 A 3 ARG A 21 ? VAL A 28 ? ARG A 21 VAL A 28 A 4 HIS A 3 ? VAL A 12 ? HIS A 3 VAL A 12 A 5 THR A 94 ? VAL A 103 ? THR A 94 VAL A 103 A 6 LEU A 109 ? TYR A 118 ? LEU A 109 TYR A 118 A 7 CYS A 121 ? LEU A 126 ? CYS A 121 LEU A 126 A 8 TRP A 133 ? ALA A 135 ? TRP A 133 ALA A 135 B 1 LYS A 186 ? ARG A 194 ? LYS A 186 ARG A 194 B 2 LYS A 198 ? PHE A 208 ? LYS A 198 PHE A 208 B 3 PHE A 241 ? PRO A 250 ? PHE A 241 PRO A 250 B 4 MET A 228 ? LEU A 230 ? MET A 228 LEU A 230 C 1 LYS A 186 ? ARG A 194 ? LYS A 186 ARG A 194 C 2 LYS A 198 ? PHE A 208 ? LYS A 198 PHE A 208 C 3 PHE A 241 ? PRO A 250 ? PHE A 241 PRO A 250 C 4 ARG A 234 ? PRO A 235 ? ARG A 234 PRO A 235 D 1 GLU A 222 ? GLU A 223 ? GLU A 222 GLU A 223 D 2 THR A 214 ? LEU A 219 ? THR A 214 LEU A 219 D 3 TYR A 257 ? TYR A 262 ? TYR A 257 TYR A 262 D 4 LEU A 270 ? LEU A 272 ? LEU A 270 LEU A 272 E 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 E 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 E 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 E 4 GLU B 50 ? PHE B 56 ? GLU B 50 PHE B 56 F 1 LYS B 44 ? LYS B 45 ? LYS B 44 LYS B 45 F 2 GLU B 36 ? LYS B 41 ? GLU B 36 LYS B 41 F 3 TYR B 78 ? LYS B 83 ? TYR B 78 LYS B 83 F 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O GLU A 46 ? O GLU A 46 N ARG A 35 ? N ARG A 35 A 2 3 O PHE A 33 ? O PHE A 33 N GLY A 26 ? N GLY A 26 A 3 4 O VAL A 25 ? O VAL A 25 N PHE A 8 ? N PHE A 8 A 4 5 N VAL A 9 ? N VAL A 9 O VAL A 97 ? O VAL A 97 A 5 6 N GLU A 102 ? N GLU A 102 O LEU A 110 ? O LEU A 110 A 6 7 N TYR A 116 ? N TYR A 116 O ILE A 124 ? O ILE A 124 A 7 8 N ALA A 125 ? N ALA A 125 O THR A 134 ? O THR A 134 B 1 2 N HIS A 192 ? N HIS A 192 O THR A 200 ? O THR A 200 B 2 3 N VAL A 199 ? N VAL A 199 O VAL A 249 ? O VAL A 249 B 3 4 O SER A 246 ? O SER A 246 N GLU A 229 ? N GLU A 229 C 1 2 N HIS A 192 ? N HIS A 192 O THR A 200 ? O THR A 200 C 2 3 N VAL A 199 ? N VAL A 199 O VAL A 249 ? O VAL A 249 C 3 4 O GLN A 242 ? O GLN A 242 N ARG A 234 ? N ARG A 234 D 1 2 O GLU A 222 ? O GLU A 222 N LEU A 219 ? N LEU A 219 D 2 3 N THR A 216 ? N THR A 216 O HIS A 260 ? O HIS A 260 D 3 4 N CYS A 259 ? N CYS A 259 O LEU A 272 ? O LEU A 272 E 1 2 N GLN B 6 ? N GLN B 6 O THR B 28 ? O THR B 28 E 2 3 N PHE B 30 ? N PHE B 30 O PHE B 62 ? O PHE B 62 E 3 4 O LEU B 65 ? O LEU B 65 N SER B 52 ? N SER B 52 F 1 2 O LYS B 44 ? O LYS B 44 N LYS B 41 ? N LYS B 41 F 2 3 N LEU B 40 ? N LEU B 40 O ALA B 79 ? O ALA B 79 F 3 4 N VAL B 82 ? N VAL B 82 O LYS B 91 ? O LYS B 91 # 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 ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 801' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 802' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE FUL A 901' # 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 2 GLU A 41 ? GLU A 41 . ? 1_554 ? 2 AC1 2 ASN A 86 ? ASN A 86 . ? 1_555 ? 3 AC2 4 ASN A 176 ? ASN A 176 . ? 1_555 ? 4 AC2 4 ALA A 177 ? ALA A 177 . ? 1_555 ? 5 AC2 4 FUL F . ? FUL A 901 . ? 1_555 ? 6 AC2 4 HOH G . ? HOH A 939 . ? 1_555 ? 7 AC3 6 GLN A 54 ? GLN A 54 . ? 1_555 ? 8 AC3 6 LYS A 173 ? LYS A 173 . ? 1_555 ? 9 AC3 6 ASN A 174 ? ASN A 174 . ? 1_555 ? 10 AC3 6 ASN A 176 ? ASN A 176 . ? 1_555 ? 11 AC3 6 NAG E . ? NAG A 802 . ? 1_555 ? 12 AC3 6 HOH G . ? HOH A 1016 . ? 1_555 ? # _database_PDB_matrix.entry_id 1RK1 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1RK1 _atom_sites.fract_transf_matrix[1][1] 0.007394 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011168 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.022098 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? 66.013 46.463 5.409 1.00 28.55 ? 1 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 65.817 46.317 3.944 1.00 28.20 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 64.716 47.237 3.460 1.00 28.89 ? 1 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 64.313 48.140 4.188 1.00 28.20 ? 1 GLY A O 1 ATOM 5 N N . PRO A 1 2 ? 64.198 47.026 2.240 1.00 28.96 ? 2 PRO A N 1 ATOM 6 C CA . PRO A 1 2 ? 63.132 47.857 1.676 1.00 27.88 ? 2 PRO A CA 1 ATOM 7 C C . PRO A 1 2 ? 61.795 47.673 2.398 1.00 25.88 ? 2 PRO A C 1 ATOM 8 O O . PRO A 1 2 ? 61.542 46.640 3.011 1.00 24.75 ? 2 PRO A O 1 ATOM 9 C CB . PRO A 1 2 ? 63.075 47.391 0.226 1.00 27.61 ? 2 PRO A CB 1 ATOM 10 C CG . PRO A 1 2 ? 63.359 45.925 0.366 1.00 30.39 ? 2 PRO A CG 1 ATOM 11 C CD . PRO A 1 2 ? 64.533 45.916 1.329 1.00 28.83 ? 2 PRO A CD 1 ATOM 12 N N . HIS A 1 3 ? 60.942 48.688 2.318 1.00 23.81 ? 3 HIS A N 1 ATOM 13 C CA . HIS A 1 3 ? 59.633 48.642 2.957 1.00 21.94 ? 3 HIS A CA 1 ATOM 14 C C . HIS A 1 3 ? 58.591 49.262 2.033 1.00 22.15 ? 3 HIS A C 1 ATOM 15 O O . HIS A 1 3 ? 58.919 50.086 1.176 1.00 19.91 ? 3 HIS A O 1 ATOM 16 C CB . HIS A 1 3 ? 59.680 49.390 4.293 1.00 22.40 ? 3 HIS A CB 1 ATOM 17 C CG . HIS A 1 3 ? 60.585 48.753 5.300 1.00 23.66 ? 3 HIS A CG 1 ATOM 18 N ND1 . HIS A 1 3 ? 60.232 47.624 6.009 1.00 22.92 ? 3 HIS A ND1 1 ATOM 19 C CD2 . HIS A 1 3 ? 61.856 49.046 5.666 1.00 22.53 ? 3 HIS A CD2 1 ATOM 20 C CE1 . HIS A 1 3 ? 61.248 47.248 6.766 1.00 22.46 ? 3 HIS A CE1 1 ATOM 21 N NE2 . HIS A 1 3 ? 62.245 48.093 6.576 1.00 22.74 ? 3 HIS A NE2 1 ATOM 22 N N . SER A 1 4 ? 57.333 48.874 2.203 1.00 20.81 ? 4 SER A N 1 ATOM 23 C CA . SER A 1 4 ? 56.299 49.409 1.337 1.00 22.55 ? 4 SER A CA 1 ATOM 24 C C . SER A 1 4 ? 55.050 49.870 2.062 1.00 20.64 ? 4 SER A C 1 ATOM 25 O O . SER A 1 4 ? 54.772 49.455 3.184 1.00 21.55 ? 4 SER A O 1 ATOM 26 C CB . SER A 1 4 ? 55.911 48.362 0.291 1.00 22.16 ? 4 SER A CB 1 ATOM 27 O OG . SER A 1 4 ? 55.286 47.254 0.921 1.00 26.83 ? 4 SER A OG 1 ATOM 28 N N . LEU A 1 5 ? 54.316 50.756 1.400 1.00 19.50 ? 5 LEU A N 1 ATOM 29 C CA . LEU A 1 5 ? 53.054 51.285 1.894 1.00 20.75 ? 5 LEU A CA 1 ATOM 30 C C . LEU A 1 5 ? 52.060 51.022 0.761 1.00 21.17 ? 5 LEU A C 1 ATOM 31 O O . LEU A 1 5 ? 52.237 51.510 -0.356 1.00 21.62 ? 5 LEU A O 1 ATOM 32 C CB . LEU A 1 5 ? 53.161 52.789 2.165 1.00 18.14 ? 5 LEU A CB 1 ATOM 33 C CG . LEU A 1 5 ? 51.836 53.500 2.481 1.00 19.93 ? 5 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 5 ? 51.107 52.792 3.619 1.00 16.26 ? 5 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 5 ? 52.120 54.958 2.856 1.00 18.88 ? 5 LEU A CD2 1 ATOM 36 N N . ARG A 1 6 ? 51.025 50.239 1.039 1.00 21.14 ? 6 ARG A N 1 ATOM 37 C CA . ARG A 1 6 ? 50.048 49.909 0.008 1.00 22.41 ? 6 ARG A CA 1 ATOM 38 C C . ARG A 1 6 ? 48.612 50.055 0.483 1.00 20.52 ? 6 ARG A C 1 ATOM 39 O O . ARG A 1 6 ? 48.276 49.695 1.610 1.00 19.93 ? 6 ARG A O 1 ATOM 40 C CB . ARG A 1 6 ? 50.237 48.462 -0.466 1.00 22.03 ? 6 ARG A CB 1 ATOM 41 C CG . ARG A 1 6 ? 51.599 48.116 -1.034 1.00 25.88 ? 6 ARG A CG 1 ATOM 42 C CD . ARG A 1 6 ? 51.687 46.608 -1.283 1.00 27.55 ? 6 ARG A CD 1 ATOM 43 N NE . ARG A 1 6 ? 51.588 45.857 -0.032 1.00 34.32 ? 6 ARG A NE 1 ATOM 44 C CZ . ARG A 1 6 ? 51.347 44.549 0.056 1.00 35.33 ? 6 ARG A CZ 1 ATOM 45 N NH1 . ARG A 1 6 ? 51.174 43.820 -1.041 1.00 34.14 ? 6 ARG A NH1 1 ATOM 46 N NH2 . ARG A 1 6 ? 51.271 43.970 1.248 1.00 32.26 ? 6 ARG A NH2 1 ATOM 47 N N . TYR A 1 7 ? 47.766 50.568 -0.397 1.00 18.51 ? 7 TYR A N 1 ATOM 48 C CA . TYR A 1 7 ? 46.352 50.719 -0.094 1.00 19.88 ? 7 TYR A CA 1 ATOM 49 C C . TYR A 1 7 ? 45.579 49.910 -1.120 1.00 19.89 ? 7 TYR A C 1 ATOM 50 O O . TYR A 1 7 ? 45.753 50.116 -2.323 1.00 20.27 ? 7 TYR A O 1 ATOM 51 C CB . TYR A 1 7 ? 45.939 52.191 -0.175 1.00 20.29 ? 7 TYR A CB 1 ATOM 52 C CG . TYR A 1 7 ? 46.446 53.003 0.991 1.00 19.58 ? 7 TYR A CG 1 ATOM 53 C CD1 . TYR A 1 7 ? 45.764 53.006 2.207 1.00 21.40 ? 7 TYR A CD1 1 ATOM 54 C CD2 . TYR A 1 7 ? 47.635 53.730 0.897 1.00 20.37 ? 7 TYR A CD2 1 ATOM 55 C CE1 . TYR A 1 7 ? 46.254 53.711 3.305 1.00 23.15 ? 7 TYR A CE1 1 ATOM 56 C CE2 . TYR A 1 7 ? 48.137 54.442 1.991 1.00 21.26 ? 7 TYR A CE2 1 ATOM 57 C CZ . TYR A 1 7 ? 47.440 54.425 3.190 1.00 20.70 ? 7 TYR A CZ 1 ATOM 58 O OH . TYR A 1 7 ? 47.924 55.110 4.274 1.00 22.19 ? 7 TYR A OH 1 ATOM 59 N N . PHE A 1 8 ? 44.769 48.965 -0.645 1.00 18.30 ? 8 PHE A N 1 ATOM 60 C CA . PHE A 1 8 ? 43.931 48.154 -1.523 1.00 17.49 ? 8 PHE A CA 1 ATOM 61 C C . PHE A 1 8 ? 42.529 48.737 -1.417 1.00 19.33 ? 8 PHE A C 1 ATOM 62 O O . PHE A 1 8 ? 41.902 48.695 -0.353 1.00 17.86 ? 8 PHE A O 1 ATOM 63 C CB . PHE A 1 8 ? 43.922 46.680 -1.091 1.00 16.41 ? 8 PHE A CB 1 ATOM 64 C CG . PHE A 1 8 ? 45.240 45.987 -1.282 1.00 17.01 ? 8 PHE A CG 1 ATOM 65 C CD1 . PHE A 1 8 ? 46.249 46.108 -0.335 1.00 16.52 ? 8 PHE A CD1 1 ATOM 66 C CD2 . PHE A 1 8 ? 45.480 45.226 -2.427 1.00 18.15 ? 8 PHE A CD2 1 ATOM 67 C CE1 . PHE A 1 8 ? 47.479 45.479 -0.523 1.00 16.97 ? 8 PHE A CE1 1 ATOM 68 C CE2 . PHE A 1 8 ? 46.702 44.597 -2.623 1.00 17.97 ? 8 PHE A CE2 1 ATOM 69 C CZ . PHE A 1 8 ? 47.707 44.723 -1.666 1.00 17.60 ? 8 PHE A CZ 1 ATOM 70 N N . VAL A 1 9 ? 42.042 49.278 -2.528 1.00 19.35 ? 9 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 40.736 49.923 -2.570 1.00 19.80 ? 9 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 39.754 49.150 -3.433 1.00 21.11 ? 9 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 40.102 48.712 -4.530 1.00 19.10 ? 9 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 40.870 51.350 -3.138 1.00 20.07 ? 9 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 39.511 52.017 -3.217 1.00 19.07 ? 9 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 41.835 52.152 -2.278 1.00 20.51 ? 9 VAL A CG2 1 ATOM 77 N N . THR A 1 10 ? 38.526 49.004 -2.940 1.00 19.28 ? 10 THR A N 1 ATOM 78 C CA . THR A 1 10 ? 37.494 48.279 -3.664 1.00 22.70 ? 10 THR A CA 1 ATOM 79 C C . THR A 1 10 ? 36.145 48.989 -3.598 1.00 22.71 ? 10 THR A C 1 ATOM 80 O O . THR A 1 10 ? 35.707 49.405 -2.528 1.00 24.82 ? 10 THR A O 1 ATOM 81 C CB . THR A 1 10 ? 37.297 46.855 -3.079 1.00 24.43 ? 10 THR A CB 1 ATOM 82 O OG1 . THR A 1 10 ? 38.568 46.214 -2.937 1.00 26.39 ? 10 THR A OG1 1 ATOM 83 C CG2 . THR A 1 10 ? 36.425 46.011 -4.007 1.00 24.55 ? 10 THR A CG2 1 ATOM 84 N N . ALA A 1 11 ? 35.498 49.142 -4.747 1.00 22.42 ? 11 ALA A N 1 ATOM 85 C CA . ALA A 1 11 ? 34.170 49.755 -4.811 1.00 22.17 ? 11 ALA A CA 1 ATOM 86 C C . ALA A 1 11 ? 33.309 48.751 -5.583 1.00 22.04 ? 11 ALA A C 1 ATOM 87 O O . ALA A 1 11 ? 33.651 48.370 -6.700 1.00 23.17 ? 11 ALA A O 1 ATOM 88 C CB . ALA A 1 11 ? 34.228 51.086 -5.540 1.00 23.35 ? 11 ALA A CB 1 ATOM 89 N N . VAL A 1 12 ? 32.203 48.316 -4.990 1.00 22.21 ? 12 VAL A N 1 ATOM 90 C CA . VAL A 1 12 ? 31.341 47.324 -5.633 1.00 22.72 ? 12 VAL A CA 1 ATOM 91 C C . VAL A 1 12 ? 29.879 47.749 -5.650 1.00 22.62 ? 12 VAL A C 1 ATOM 92 O O . VAL A 1 12 ? 29.277 47.915 -4.596 1.00 21.78 ? 12 VAL A O 1 ATOM 93 C CB . VAL A 1 12 ? 31.424 45.962 -4.893 1.00 22.24 ? 12 VAL A CB 1 ATOM 94 C CG1 . VAL A 1 12 ? 30.636 44.905 -5.652 1.00 22.50 ? 12 VAL A CG1 1 ATOM 95 C CG2 . VAL A 1 12 ? 32.877 45.550 -4.716 1.00 22.01 ? 12 VAL A CG2 1 ATOM 96 N N . SER A 1 13 ? 29.307 47.906 -6.843 1.00 24.11 ? 13 SER A N 1 ATOM 97 C CA . SER A 1 13 ? 27.905 48.307 -6.955 1.00 25.32 ? 13 SER A CA 1 ATOM 98 C C . SER A 1 13 ? 26.971 47.130 -6.677 1.00 27.25 ? 13 SER A C 1 ATOM 99 O O . SER A 1 13 ? 27.360 45.963 -6.783 1.00 26.08 ? 13 SER A O 1 ATOM 100 C CB . SER A 1 13 ? 27.610 48.886 -8.350 1.00 26.11 ? 13 SER A CB 1 ATOM 101 O OG . SER A 1 13 ? 27.765 47.910 -9.368 1.00 26.33 ? 13 SER A OG 1 ATOM 102 N N . ARG A 1 14 ? 25.737 47.448 -6.309 1.00 27.30 ? 14 ARG A N 1 ATOM 103 C CA . ARG A 1 14 ? 24.737 46.436 -6.010 1.00 28.70 ? 14 ARG A CA 1 ATOM 104 C C . ARG A 1 14 ? 23.349 47.017 -6.272 1.00 28.64 ? 14 ARG A C 1 ATOM 105 O O . ARG A 1 14 ? 22.622 47.374 -5.347 1.00 26.47 ? 14 ARG A O 1 ATOM 106 C CB . ARG A 1 14 ? 24.878 45.979 -4.554 1.00 30.31 ? 14 ARG A CB 1 ATOM 107 C CG . ARG A 1 14 ? 25.126 47.109 -3.580 1.00 30.98 ? 14 ARG A CG 1 ATOM 108 C CD . ARG A 1 14 ? 25.555 46.601 -2.211 1.00 32.98 ? 14 ARG A CD 1 ATOM 109 N NE . ARG A 1 14 ? 25.914 47.711 -1.332 1.00 36.02 ? 14 ARG A NE 1 ATOM 110 C CZ . ARG A 1 14 ? 26.381 47.577 -0.094 1.00 36.46 ? 14 ARG A CZ 1 ATOM 111 N NH1 . ARG A 1 14 ? 26.552 46.369 0.432 1.00 35.61 ? 14 ARG A NH1 1 ATOM 112 N NH2 . ARG A 1 14 ? 26.681 48.656 0.617 1.00 35.17 ? 14 ARG A NH2 1 ATOM 113 N N . PRO A 1 15 ? 22.973 47.126 -7.554 1.00 29.42 ? 15 PRO A N 1 ATOM 114 C CA . PRO A 1 15 ? 21.676 47.665 -7.968 1.00 31.08 ? 15 PRO A CA 1 ATOM 115 C C . PRO A 1 15 ? 20.522 47.091 -7.172 1.00 32.27 ? 15 PRO A C 1 ATOM 116 O O . PRO A 1 15 ? 20.445 45.880 -6.958 1.00 31.87 ? 15 PRO A O 1 ATOM 117 C CB . PRO A 1 15 ? 21.605 47.285 -9.442 1.00 30.73 ? 15 PRO A CB 1 ATOM 118 C CG . PRO A 1 15 ? 23.035 47.403 -9.864 1.00 30.78 ? 15 PRO A CG 1 ATOM 119 C CD . PRO A 1 15 ? 23.755 46.700 -8.728 1.00 30.40 ? 15 PRO A CD 1 ATOM 120 N N . GLY A 1 16 ? 19.630 47.974 -6.729 1.00 32.61 ? 16 GLY A N 1 ATOM 121 C CA . GLY A 1 16 ? 18.474 47.546 -5.967 1.00 31.59 ? 16 GLY A CA 1 ATOM 122 C C . GLY A 1 16 ? 18.732 47.331 -4.493 1.00 32.96 ? 16 GLY A C 1 ATOM 123 O O . GLY A 1 16 ? 17.795 47.110 -3.731 1.00 33.81 ? 16 GLY A O 1 ATOM 124 N N . LEU A 1 17 ? 19.992 47.393 -4.072 1.00 33.72 ? 17 LEU A N 1 ATOM 125 C CA . LEU A 1 17 ? 20.303 47.185 -2.663 1.00 34.40 ? 17 LEU A CA 1 ATOM 126 C C . LEU A 1 17 ? 20.966 48.384 -2.002 1.00 35.49 ? 17 LEU A C 1 ATOM 127 O O . LEU A 1 17 ? 21.539 48.264 -0.919 1.00 35.48 ? 17 LEU A O 1 ATOM 128 C CB . LEU A 1 17 ? 21.182 45.941 -2.496 1.00 35.45 ? 17 LEU A CB 1 ATOM 129 C CG . LEU A 1 17 ? 20.543 44.624 -2.957 1.00 37.53 ? 17 LEU A CG 1 ATOM 130 C CD1 . LEU A 1 17 ? 21.498 43.464 -2.696 1.00 37.54 ? 17 LEU A CD1 1 ATOM 131 C CD2 . LEU A 1 17 ? 19.228 44.401 -2.217 1.00 37.33 ? 17 LEU A CD2 1 ATOM 132 N N . GLY A 1 18 ? 20.888 49.543 -2.649 1.00 34.61 ? 18 GLY A N 1 ATOM 133 C CA . GLY A 1 18 ? 21.486 50.732 -2.071 1.00 33.89 ? 18 GLY A CA 1 ATOM 134 C C . GLY A 1 18 ? 22.786 51.150 -2.730 1.00 32.72 ? 18 GLY A C 1 ATOM 135 O O . GLY A 1 18 ? 23.108 50.702 -3.829 1.00 32.85 ? 18 GLY A O 1 ATOM 136 N N . GLU A 1 19 ? 23.536 52.009 -2.049 1.00 32.49 ? 19 GLU A N 1 ATOM 137 C CA . GLU A 1 19 ? 24.800 52.515 -2.572 1.00 33.15 ? 19 GLU A CA 1 ATOM 138 C C . GLU A 1 19 ? 25.920 51.470 -2.605 1.00 30.24 ? 19 GLU A C 1 ATOM 139 O O . GLU A 1 19 ? 25.906 50.504 -1.845 1.00 28.95 ? 19 GLU A O 1 ATOM 140 C CB . GLU A 1 19 ? 25.242 53.740 -1.763 1.00 37.32 ? 19 GLU A CB 1 ATOM 141 C CG . GLU A 1 19 ? 25.578 53.489 -0.287 1.00 47.29 ? 19 GLU A CG 1 ATOM 142 C CD . GLU A 1 19 ? 24.389 53.030 0.557 1.00 52.40 ? 19 GLU A CD 1 ATOM 143 O OE1 . GLU A 1 19 ? 23.226 53.293 0.173 1.00 53.51 ? 19 GLU A OE1 1 ATOM 144 O OE2 . GLU A 1 19 ? 24.624 52.416 1.625 1.00 56.44 ? 19 GLU A OE2 1 ATOM 145 N N . PRO A 1 20 ? 26.901 51.649 -3.507 1.00 29.13 ? 20 PRO A N 1 ATOM 146 C CA . PRO A 1 20 ? 28.027 50.714 -3.632 1.00 28.14 ? 20 PRO A CA 1 ATOM 147 C C . PRO A 1 20 ? 28.804 50.552 -2.331 1.00 27.52 ? 20 PRO A C 1 ATOM 148 O O . PRO A 1 20 ? 28.917 51.498 -1.550 1.00 26.25 ? 20 PRO A O 1 ATOM 149 C CB . PRO A 1 20 ? 28.895 51.355 -4.719 1.00 27.88 ? 20 PRO A CB 1 ATOM 150 C CG . PRO A 1 20 ? 27.903 52.110 -5.556 1.00 30.05 ? 20 PRO A CG 1 ATOM 151 C CD . PRO A 1 20 ? 26.994 52.722 -4.514 1.00 27.25 ? 20 PRO A CD 1 ATOM 152 N N . ARG A 1 21 ? 29.331 49.353 -2.088 1.00 26.25 ? 21 ARG A N 1 ATOM 153 C CA . ARG A 1 21 ? 30.136 49.143 -0.892 1.00 25.59 ? 21 ARG A CA 1 ATOM 154 C C . ARG A 1 21 ? 31.522 49.662 -1.243 1.00 24.25 ? 21 ARG A C 1 ATOM 155 O O . ARG A 1 21 ? 32.029 49.392 -2.331 1.00 23.43 ? 21 ARG A O 1 ATOM 156 C CB . ARG A 1 21 ? 30.235 47.665 -0.524 1.00 26.69 ? 21 ARG A CB 1 ATOM 157 C CG . ARG A 1 21 ? 31.016 47.454 0.760 1.00 27.42 ? 21 ARG A CG 1 ATOM 158 C CD . ARG A 1 21 ? 31.027 46.005 1.174 1.00 30.61 ? 21 ARG A CD 1 ATOM 159 N NE . ARG A 1 21 ? 31.611 45.820 2.498 1.00 28.71 ? 21 ARG A NE 1 ATOM 160 C CZ . ARG A 1 21 ? 31.659 44.650 3.119 1.00 30.20 ? 21 ARG A CZ 1 ATOM 161 N NH1 . ARG A 1 21 ? 31.157 43.576 2.528 1.00 32.16 ? 21 ARG A NH1 1 ATOM 162 N NH2 . ARG A 1 21 ? 32.202 44.550 4.324 1.00 30.57 ? 21 ARG A NH2 1 ATOM 163 N N . TYR A 1 22 ? 32.126 50.414 -0.332 1.00 23.75 ? 22 TYR A N 1 ATOM 164 C CA . TYR A 1 22 ? 33.448 50.978 -0.568 1.00 21.94 ? 22 TYR A CA 1 ATOM 165 C C . TYR A 1 22 ? 34.373 50.593 0.566 1.00 22.70 ? 22 TYR A C 1 ATOM 166 O O . TYR A 1 22 ? 34.051 50.812 1.733 1.00 20.64 ? 22 TYR A O 1 ATOM 167 C CB . TYR A 1 22 ? 33.362 52.500 -0.658 1.00 24.21 ? 22 TYR A CB 1 ATOM 168 C CG . TYR A 1 22 ? 34.696 53.157 -0.909 1.00 24.37 ? 22 TYR A CG 1 ATOM 169 C CD1 . TYR A 1 22 ? 35.238 53.212 -2.193 1.00 24.19 ? 22 TYR A CD1 1 ATOM 170 C CD2 . TYR A 1 22 ? 35.430 53.703 0.140 1.00 23.61 ? 22 TYR A CD2 1 ATOM 171 C CE1 . TYR A 1 22 ? 36.487 53.798 -2.428 1.00 24.33 ? 22 TYR A CE1 1 ATOM 172 C CE2 . TYR A 1 22 ? 36.678 54.289 -0.083 1.00 26.36 ? 22 TYR A CE2 1 ATOM 173 C CZ . TYR A 1 22 ? 37.198 54.331 -1.370 1.00 25.22 ? 22 TYR A CZ 1 ATOM 174 O OH . TYR A 1 22 ? 38.433 54.901 -1.594 1.00 26.99 ? 22 TYR A OH 1 ATOM 175 N N . MET A 1 23 ? 35.524 50.027 0.222 1.00 22.58 ? 23 MET A N 1 ATOM 176 C CA . MET A 1 23 ? 36.491 49.593 1.222 1.00 25.38 ? 23 MET A CA 1 ATOM 177 C C . MET A 1 23 ? 37.913 50.009 0.906 1.00 24.56 ? 23 MET A C 1 ATOM 178 O O . MET A 1 23 ? 38.335 50.016 -0.253 1.00 23.56 ? 23 MET A O 1 ATOM 179 C CB . MET A 1 23 ? 36.478 48.071 1.356 1.00 28.52 ? 23 MET A CB 1 ATOM 180 C CG . MET A 1 23 ? 35.197 47.483 1.898 1.00 34.90 ? 23 MET A CG 1 ATOM 181 S SD . MET A 1 23 ? 35.399 45.703 2.134 1.00 44.16 ? 23 MET A SD 1 ATOM 182 C CE . MET A 1 23 ? 36.655 45.682 3.413 1.00 36.85 ? 23 MET A CE 1 ATOM 183 N N . GLU A 1 24 ? 38.649 50.342 1.956 1.00 22.07 ? 24 GLU A N 1 ATOM 184 C CA . GLU A 1 24 ? 40.045 50.724 1.839 1.00 21.98 ? 24 GLU A CA 1 ATOM 185 C C . GLU A 1 24 ? 40.809 49.940 2.887 1.00 20.86 ? 24 GLU A C 1 ATOM 186 O O . GLU A 1 24 ? 40.424 49.930 4.046 1.00 20.79 ? 24 GLU A O 1 ATOM 187 C CB . GLU A 1 24 ? 40.236 52.220 2.116 1.00 23.79 ? 24 GLU A CB 1 ATOM 188 C CG . GLU A 1 24 ? 40.061 53.124 0.915 1.00 27.05 ? 24 GLU A CG 1 ATOM 189 C CD . GLU A 1 24 ? 40.307 54.592 1.244 1.00 29.09 ? 24 GLU A CD 1 ATOM 190 O OE1 . GLU A 1 24 ? 41.251 54.890 2.007 1.00 30.63 ? 24 GLU A OE1 1 ATOM 191 O OE2 . GLU A 1 24 ? 39.564 55.450 0.727 1.00 31.66 ? 24 GLU A OE2 1 ATOM 192 N N . VAL A 1 25 ? 41.875 49.261 2.484 1.00 20.32 ? 25 VAL A N 1 ATOM 193 C CA . VAL A 1 25 ? 42.687 48.545 3.453 1.00 19.15 ? 25 VAL A CA 1 ATOM 194 C C . VAL A 1 25 ? 44.135 48.912 3.195 1.00 18.79 ? 25 VAL A C 1 ATOM 195 O O . VAL A 1 25 ? 44.617 48.799 2.069 1.00 16.35 ? 25 VAL A O 1 ATOM 196 C CB . VAL A 1 25 ? 42.522 47.029 3.349 1.00 21.15 ? 25 VAL A CB 1 ATOM 197 C CG1 . VAL A 1 25 ? 43.331 46.357 4.463 1.00 19.50 ? 25 VAL A CG1 1 ATOM 198 C CG2 . VAL A 1 25 ? 41.053 46.663 3.463 1.00 21.77 ? 25 VAL A CG2 1 ATOM 199 N N . GLY A 1 26 ? 44.820 49.369 4.240 1.00 20.02 ? 26 GLY A N 1 ATOM 200 C CA . GLY A 1 26 ? 46.210 49.763 4.095 1.00 19.04 ? 26 GLY A CA 1 ATOM 201 C C . GLY A 1 26 ? 47.188 48.824 4.771 1.00 19.83 ? 26 GLY A C 1 ATOM 202 O O . GLY A 1 26 ? 46.896 48.262 5.827 1.00 20.17 ? 26 GLY A O 1 ATOM 203 N N . TYR A 1 27 ? 48.349 48.646 4.151 1.00 17.09 ? 27 TYR A N 1 ATOM 204 C CA . TYR A 1 27 ? 49.394 47.787 4.699 1.00 18.53 ? 27 TYR A CA 1 ATOM 205 C C . TYR A 1 27 ? 50.746 48.471 4.657 1.00 18.37 ? 27 TYR A C 1 ATOM 206 O O . TYR A 1 27 ? 51.040 49.237 3.734 1.00 19.02 ? 27 TYR A O 1 ATOM 207 C CB . TYR A 1 27 ? 49.560 46.487 3.891 1.00 18.13 ? 27 TYR A CB 1 ATOM 208 C CG . TYR A 1 27 ? 48.395 45.529 3.929 1.00 19.88 ? 27 TYR A CG 1 ATOM 209 C CD1 . TYR A 1 27 ? 47.261 45.756 3.154 1.00 17.28 ? 27 TYR A CD1 1 ATOM 210 C CD2 . TYR A 1 27 ? 48.433 44.388 4.738 1.00 18.36 ? 27 TYR A CD2 1 ATOM 211 C CE1 . TYR A 1 27 ? 46.185 44.871 3.176 1.00 21.81 ? 27 TYR A CE1 1 ATOM 212 C CE2 . TYR A 1 27 ? 47.357 43.490 4.770 1.00 21.23 ? 27 TYR A CE2 1 ATOM 213 C CZ . TYR A 1 27 ? 46.238 43.742 3.987 1.00 21.12 ? 27 TYR A CZ 1 ATOM 214 O OH . TYR A 1 27 ? 45.161 42.884 4.011 1.00 23.62 ? 27 TYR A OH 1 ATOM 215 N N . VAL A 1 28 ? 51.552 48.203 5.676 1.00 17.47 ? 28 VAL A N 1 ATOM 216 C CA . VAL A 1 28 ? 52.928 48.662 5.712 1.00 18.87 ? 28 VAL A CA 1 ATOM 217 C C . VAL A 1 28 ? 53.577 47.272 5.647 1.00 21.00 ? 28 VAL A C 1 ATOM 218 O O . VAL A 1 28 ? 53.396 46.451 6.551 1.00 20.05 ? 28 VAL A O 1 ATOM 219 C CB . VAL A 1 28 ? 53.283 49.389 7.018 1.00 17.00 ? 28 VAL A CB 1 ATOM 220 C CG1 . VAL A 1 28 ? 54.792 49.543 7.124 1.00 17.59 ? 28 VAL A CG1 1 ATOM 221 C CG2 . VAL A 1 28 ? 52.633 50.785 7.025 1.00 17.41 ? 28 VAL A CG2 1 ATOM 222 N N . ASP A 1 29 ? 54.290 47.006 4.554 1.00 20.98 ? 29 ASP A N 1 ATOM 223 C CA . ASP A 1 29 ? 54.900 45.698 4.312 1.00 22.09 ? 29 ASP A CA 1 ATOM 224 C C . ASP A 1 29 ? 53.768 44.670 4.301 1.00 23.20 ? 29 ASP A C 1 ATOM 225 O O . ASP A 1 29 ? 52.781 44.846 3.581 1.00 21.78 ? 29 ASP A O 1 ATOM 226 C CB . ASP A 1 29 ? 55.932 45.351 5.383 1.00 23.69 ? 29 ASP A CB 1 ATOM 227 C CG . ASP A 1 29 ? 57.162 46.240 5.309 1.00 27.96 ? 29 ASP A CG 1 ATOM 228 O OD1 . ASP A 1 29 ? 57.412 46.827 4.228 1.00 25.95 ? 29 ASP A OD1 1 ATOM 229 O OD2 . ASP A 1 29 ? 57.883 46.343 6.323 1.00 27.10 ? 29 ASP A OD2 1 ATOM 230 N N . ASP A 1 30 ? 53.888 43.613 5.097 1.00 23.93 ? 30 ASP A N 1 ATOM 231 C CA . ASP A 1 30 ? 52.843 42.592 5.141 1.00 26.86 ? 30 ASP A CA 1 ATOM 232 C C . ASP A 1 30 ? 51.894 42.779 6.328 1.00 27.45 ? 30 ASP A C 1 ATOM 233 O O . ASP A 1 30 ? 51.141 41.864 6.666 1.00 29.48 ? 30 ASP A O 1 ATOM 234 C CB . ASP A 1 30 ? 53.470 41.198 5.231 1.00 26.51 ? 30 ASP A CB 1 ATOM 235 C CG . ASP A 1 30 ? 54.372 40.882 4.052 1.00 29.22 ? 30 ASP A CG 1 ATOM 236 O OD1 . ASP A 1 30 ? 55.508 40.417 4.286 1.00 27.59 ? 30 ASP A OD1 1 ATOM 237 O OD2 . ASP A 1 30 ? 53.946 41.093 2.897 1.00 29.93 ? 30 ASP A OD2 1 ATOM 238 N N . THR A 1 31 ? 51.914 43.956 6.949 1.00 25.36 ? 31 THR A N 1 ATOM 239 C CA . THR A 1 31 ? 51.068 44.212 8.118 1.00 26.16 ? 31 THR A CA 1 ATOM 240 C C . THR A 1 31 ? 49.888 45.159 7.881 1.00 24.68 ? 31 THR A C 1 ATOM 241 O O . THR A 1 31 ? 50.083 46.319 7.518 1.00 24.34 ? 31 THR A O 1 ATOM 242 C CB . THR A 1 31 ? 51.906 44.799 9.290 1.00 27.04 ? 31 THR A CB 1 ATOM 243 O OG1 . THR A 1 31 ? 53.000 43.925 9.592 1.00 30.32 ? 31 THR A OG1 1 ATOM 244 C CG2 . THR A 1 31 ? 51.053 44.949 10.540 1.00 29.54 ? 31 THR A CG2 1 ATOM 245 N N . GLU A 1 32 ? 48.669 44.670 8.106 1.00 22.63 ? 32 GLU A N 1 ATOM 246 C CA . GLU A 1 32 ? 47.474 45.496 7.945 1.00 21.15 ? 32 GLU A CA 1 ATOM 247 C C . GLU A 1 32 ? 47.542 46.552 9.053 1.00 20.76 ? 32 GLU A C 1 ATOM 248 O O . GLU A 1 32 ? 47.746 46.207 10.216 1.00 20.38 ? 32 GLU A O 1 ATOM 249 C CB . GLU A 1 32 ? 46.202 44.649 8.115 1.00 22.02 ? 32 GLU A CB 1 ATOM 250 C CG . GLU A 1 32 ? 44.917 45.388 7.741 1.00 21.25 ? 32 GLU A CG 1 ATOM 251 C CD . GLU A 1 32 ? 43.647 44.583 8.011 1.00 25.05 ? 32 GLU A CD 1 ATOM 252 O OE1 . GLU A 1 32 ? 43.742 43.380 8.350 1.00 24.44 ? 32 GLU A OE1 1 ATOM 253 O OE2 . GLU A 1 32 ? 42.545 45.159 7.875 1.00 22.92 ? 32 GLU A OE2 1 ATOM 254 N N . PHE A 1 33 ? 47.388 47.829 8.707 1.00 19.58 ? 33 PHE A N 1 ATOM 255 C CA . PHE A 1 33 ? 47.463 48.862 9.731 1.00 17.67 ? 33 PHE A CA 1 ATOM 256 C C . PHE A 1 33 ? 46.295 49.854 9.790 1.00 19.62 ? 33 PHE A C 1 ATOM 257 O O . PHE A 1 33 ? 46.116 50.521 10.804 1.00 19.45 ? 33 PHE A O 1 ATOM 258 C CB . PHE A 1 33 ? 48.806 49.608 9.638 1.00 16.62 ? 33 PHE A CB 1 ATOM 259 C CG . PHE A 1 33 ? 48.861 50.666 8.566 1.00 17.34 ? 33 PHE A CG 1 ATOM 260 C CD1 . PHE A 1 33 ? 48.855 50.321 7.215 1.00 14.93 ? 33 PHE A CD1 1 ATOM 261 C CD2 . PHE A 1 33 ? 48.946 52.014 8.915 1.00 15.59 ? 33 PHE A CD2 1 ATOM 262 C CE1 . PHE A 1 33 ? 48.936 51.302 6.223 1.00 16.89 ? 33 PHE A CE1 1 ATOM 263 C CE2 . PHE A 1 33 ? 49.026 53.010 7.931 1.00 18.81 ? 33 PHE A CE2 1 ATOM 264 C CZ . PHE A 1 33 ? 49.021 52.654 6.580 1.00 16.80 ? 33 PHE A CZ 1 ATOM 265 N N . VAL A 1 34 ? 45.513 49.966 8.716 1.00 19.05 ? 34 VAL A N 1 ATOM 266 C CA . VAL A 1 34 ? 44.336 50.837 8.716 1.00 18.67 ? 34 VAL A CA 1 ATOM 267 C C . VAL A 1 34 ? 43.247 50.252 7.830 1.00 21.01 ? 34 VAL A C 1 ATOM 268 O O . VAL A 1 34 ? 43.528 49.466 6.915 1.00 20.12 ? 34 VAL A O 1 ATOM 269 C CB . VAL A 1 34 ? 44.633 52.280 8.229 1.00 19.46 ? 34 VAL A CB 1 ATOM 270 C CG1 . VAL A 1 34 ? 45.498 53.008 9.255 1.00 15.81 ? 34 VAL A CG1 1 ATOM 271 C CG2 . VAL A 1 34 ? 45.294 52.253 6.843 1.00 15.89 ? 34 VAL A CG2 1 ATOM 272 N N . ARG A 1 35 ? 42.004 50.643 8.097 1.00 20.53 ? 35 ARG A N 1 ATOM 273 C CA . ARG A 1 35 ? 40.868 50.141 7.332 1.00 21.86 ? 35 ARG A CA 1 ATOM 274 C C . ARG A 1 35 ? 39.651 51.059 7.349 1.00 22.38 ? 35 ARG A C 1 ATOM 275 O O . ARG A 1 35 ? 39.393 51.753 8.336 1.00 18.92 ? 35 ARG A O 1 ATOM 276 C CB . ARG A 1 35 ? 40.441 48.779 7.885 1.00 23.81 ? 35 ARG A CB 1 ATOM 277 C CG . ARG A 1 35 ? 39.208 48.199 7.229 1.00 28.42 ? 35 ARG A CG 1 ATOM 278 C CD . ARG A 1 35 ? 38.685 46.998 8.014 1.00 33.72 ? 35 ARG A CD 1 ATOM 279 N NE . ARG A 1 35 ? 38.205 47.386 9.340 1.00 35.15 ? 35 ARG A NE 1 ATOM 280 C CZ . ARG A 1 35 ? 37.783 46.527 10.264 1.00 37.49 ? 35 ARG A CZ 1 ATOM 281 N NH1 . ARG A 1 35 ? 37.782 45.225 10.012 1.00 36.68 ? 35 ARG A NH1 1 ATOM 282 N NH2 . ARG A 1 35 ? 37.367 46.970 11.444 1.00 38.98 ? 35 ARG A NH2 1 ATOM 283 N N . PHE A 1 36 ? 38.907 51.043 6.244 1.00 22.54 ? 36 PHE A N 1 ATOM 284 C CA . PHE A 1 36 ? 37.668 51.804 6.110 1.00 22.86 ? 36 PHE A CA 1 ATOM 285 C C . PHE A 1 36 ? 36.671 50.917 5.366 1.00 24.34 ? 36 PHE A C 1 ATOM 286 O O . PHE A 1 36 ? 36.973 50.386 4.290 1.00 23.66 ? 36 PHE A O 1 ATOM 287 C CB . PHE A 1 36 ? 37.873 53.099 5.322 1.00 23.36 ? 36 PHE A CB 1 ATOM 288 C CG . PHE A 1 36 ? 36.607 53.893 5.139 1.00 25.45 ? 36 PHE A CG 1 ATOM 289 C CD1 . PHE A 1 36 ? 36.178 54.784 6.119 1.00 26.08 ? 36 PHE A CD1 1 ATOM 290 C CD2 . PHE A 1 36 ? 35.808 53.700 4.017 1.00 24.26 ? 36 PHE A CD2 1 ATOM 291 C CE1 . PHE A 1 36 ? 34.962 55.476 5.984 1.00 27.92 ? 36 PHE A CE1 1 ATOM 292 C CE2 . PHE A 1 36 ? 34.593 54.383 3.872 1.00 28.39 ? 36 PHE A CE2 1 ATOM 293 C CZ . PHE A 1 36 ? 34.171 55.273 4.859 1.00 26.91 ? 36 PHE A CZ 1 ATOM 294 N N . ASP A 1 37 ? 35.486 50.748 5.943 1.00 23.29 ? 37 ASP A N 1 ATOM 295 C CA . ASP A 1 37 ? 34.449 49.926 5.334 1.00 24.07 ? 37 ASP A CA 1 ATOM 296 C C . ASP A 1 37 ? 33.121 50.677 5.394 1.00 24.94 ? 37 ASP A C 1 ATOM 297 O O . ASP A 1 37 ? 32.554 50.854 6.469 1.00 24.23 ? 37 ASP A O 1 ATOM 298 C CB . ASP A 1 37 ? 34.333 48.594 6.084 1.00 23.70 ? 37 ASP A CB 1 ATOM 299 C CG . ASP A 1 37 ? 33.376 47.622 5.412 1.00 26.79 ? 37 ASP A CG 1 ATOM 300 O OD1 . ASP A 1 37 ? 32.649 48.028 4.475 1.00 25.44 ? 37 ASP A OD1 1 ATOM 301 O OD2 . ASP A 1 37 ? 33.343 46.446 5.828 1.00 26.13 ? 37 ASP A OD2 1 ATOM 302 N N . SER A 1 38 ? 32.625 51.111 4.239 1.00 26.01 ? 38 SER A N 1 ATOM 303 C CA . SER A 1 38 ? 31.371 51.866 4.175 1.00 27.44 ? 38 SER A CA 1 ATOM 304 C C . SER A 1 38 ? 30.153 51.117 4.708 1.00 29.30 ? 38 SER A C 1 ATOM 305 O O . SER A 1 38 ? 29.126 51.733 4.987 1.00 28.76 ? 38 SER A O 1 ATOM 306 C CB . SER A 1 38 ? 31.087 52.310 2.739 1.00 25.50 ? 38 SER A CB 1 ATOM 307 O OG . SER A 1 38 ? 30.677 51.216 1.946 1.00 26.28 ? 38 SER A OG 1 ATOM 308 N N . ASP A 1 39 ? 30.248 49.797 4.831 1.00 30.80 ? 39 ASP A N 1 ATOM 309 C CA . ASP A 1 39 ? 29.119 49.024 5.340 1.00 35.28 ? 39 ASP A CA 1 ATOM 310 C C . ASP A 1 39 ? 29.077 48.955 6.864 1.00 37.09 ? 39 ASP A C 1 ATOM 311 O O . ASP A 1 39 ? 28.095 48.495 7.439 1.00 37.63 ? 39 ASP A O 1 ATOM 312 C CB . ASP A 1 39 ? 29.124 47.607 4.759 1.00 37.14 ? 39 ASP A CB 1 ATOM 313 C CG . ASP A 1 39 ? 28.421 47.529 3.415 1.00 40.40 ? 39 ASP A CG 1 ATOM 314 O OD1 . ASP A 1 39 ? 27.916 48.574 2.942 1.00 39.60 ? 39 ASP A OD1 1 ATOM 315 O OD2 . ASP A 1 39 ? 28.368 46.425 2.834 1.00 42.21 ? 39 ASP A OD2 1 ATOM 316 N N . ALA A 1 40 ? 30.138 49.411 7.519 1.00 38.84 ? 40 ALA A N 1 ATOM 317 C CA . ALA A 1 40 ? 30.174 49.399 8.976 1.00 43.17 ? 40 ALA A CA 1 ATOM 318 C C . ALA A 1 40 ? 29.032 50.267 9.505 1.00 45.09 ? 40 ALA A C 1 ATOM 319 O O . ALA A 1 40 ? 28.553 51.164 8.806 1.00 45.03 ? 40 ALA A O 1 ATOM 320 C CB . ALA A 1 40 ? 31.519 49.928 9.473 1.00 41.71 ? 40 ALA A CB 1 ATOM 321 N N . GLU A 1 41 ? 28.593 49.985 10.731 1.00 49.17 ? 41 GLU A N 1 ATOM 322 C CA . GLU A 1 41 ? 27.506 50.731 11.366 1.00 51.40 ? 41 GLU A CA 1 ATOM 323 C C . GLU A 1 41 ? 27.712 52.228 11.185 1.00 51.56 ? 41 GLU A C 1 ATOM 324 O O . GLU A 1 41 ? 26.819 52.939 10.720 1.00 52.18 ? 41 GLU A O 1 ATOM 325 C CB . GLU A 1 41 ? 27.429 50.393 12.858 1.00 54.48 ? 41 GLU A CB 1 ATOM 326 C CG . GLU A 1 41 ? 27.098 48.931 13.146 1.00 59.37 ? 41 GLU A CG 1 ATOM 327 C CD . GLU A 1 41 ? 28.300 48.003 13.024 1.00 62.39 ? 41 GLU A CD 1 ATOM 328 O OE1 . GLU A 1 41 ? 29.291 48.369 12.353 1.00 62.08 ? 41 GLU A OE1 1 ATOM 329 O OE2 . GLU A 1 41 ? 28.244 46.891 13.598 1.00 65.30 ? 41 GLU A OE2 1 ATOM 330 N N . ASN A 1 42 ? 28.896 52.698 11.563 1.00 51.08 ? 42 ASN A N 1 ATOM 331 C CA . ASN A 1 42 ? 29.261 54.104 11.421 1.00 51.12 ? 42 ASN A CA 1 ATOM 332 C C . ASN A 1 42 ? 30.664 54.141 10.815 1.00 48.63 ? 42 ASN A C 1 ATOM 333 O O . ASN A 1 42 ? 31.663 54.180 11.537 1.00 49.86 ? 42 ASN A O 1 ATOM 334 C CB . ASN A 1 42 ? 29.261 54.801 12.784 1.00 54.16 ? 42 ASN A CB 1 ATOM 335 C CG . ASN A 1 42 ? 29.745 56.238 12.702 1.00 56.52 ? 42 ASN A CG 1 ATOM 336 O OD1 . ASN A 1 42 ? 29.145 57.073 12.019 1.00 57.70 ? 42 ASN A OD1 1 ATOM 337 N ND2 . ASN A 1 42 ? 30.839 56.534 13.397 1.00 57.77 ? 42 ASN A ND2 1 ATOM 338 N N . PRO A 1 43 ? 30.752 54.130 9.475 1.00 44.63 ? 43 PRO A N 1 ATOM 339 C CA . PRO A 1 43 ? 32.024 54.153 8.747 1.00 40.40 ? 43 PRO A CA 1 ATOM 340 C C . PRO A 1 43 ? 33.028 55.220 9.184 1.00 37.74 ? 43 PRO A C 1 ATOM 341 O O . PRO A 1 43 ? 32.766 56.424 9.104 1.00 35.25 ? 43 PRO A O 1 ATOM 342 C CB . PRO A 1 43 ? 31.585 54.314 7.290 1.00 40.48 ? 43 PRO A CB 1 ATOM 343 C CG . PRO A 1 43 ? 30.278 55.041 7.404 1.00 42.77 ? 43 PRO A CG 1 ATOM 344 C CD . PRO A 1 43 ? 29.623 54.315 8.546 1.00 44.01 ? 43 PRO A CD 1 ATOM 345 N N . ARG A 1 44 ? 34.184 54.748 9.642 1.00 34.19 ? 44 ARG A N 1 ATOM 346 C CA . ARG A 1 44 ? 35.274 55.602 10.096 1.00 31.39 ? 44 ARG A CA 1 ATOM 347 C C . ARG A 1 44 ? 36.583 54.904 9.734 1.00 28.23 ? 44 ARG A C 1 ATOM 348 O O . ARG A 1 44 ? 36.620 53.679 9.608 1.00 24.43 ? 44 ARG A O 1 ATOM 349 C CB . ARG A 1 44 ? 35.227 55.774 11.620 1.00 35.09 ? 44 ARG A CB 1 ATOM 350 C CG . ARG A 1 44 ? 34.010 56.511 12.173 1.00 41.19 ? 44 ARG A CG 1 ATOM 351 C CD . ARG A 1 44 ? 34.146 58.020 12.023 1.00 42.72 ? 44 ARG A CD 1 ATOM 352 N NE . ARG A 1 44 ? 35.348 58.522 12.683 1.00 44.49 ? 44 ARG A NE 1 ATOM 353 C CZ . ARG A 1 44 ? 35.683 59.807 12.756 1.00 46.85 ? 44 ARG A CZ 1 ATOM 354 N NH1 . ARG A 1 44 ? 34.901 60.731 12.211 1.00 46.80 ? 44 ARG A NH1 1 ATOM 355 N NH2 . ARG A 1 44 ? 36.809 60.168 13.362 1.00 46.96 ? 44 ARG A NH2 1 ATOM 356 N N . TYR A 1 45 ? 37.650 55.676 9.560 1.00 24.90 ? 45 TYR A N 1 ATOM 357 C CA . TYR A 1 45 ? 38.950 55.082 9.273 1.00 24.38 ? 45 TYR A CA 1 ATOM 358 C C . TYR A 1 45 ? 39.384 54.543 10.635 1.00 23.79 ? 45 TYR A C 1 ATOM 359 O O . TYR A 1 45 ? 39.322 55.258 11.630 1.00 23.96 ? 45 TYR A O 1 ATOM 360 C CB . TYR A 1 45 ? 39.927 56.147 8.778 1.00 24.56 ? 45 TYR A CB 1 ATOM 361 C CG . TYR A 1 45 ? 40.706 55.723 7.555 1.00 25.51 ? 45 TYR A CG 1 ATOM 362 C CD1 . TYR A 1 45 ? 41.994 55.203 7.664 1.00 27.86 ? 45 TYR A CD1 1 ATOM 363 C CD2 . TYR A 1 45 ? 40.147 55.834 6.285 1.00 25.82 ? 45 TYR A CD2 1 ATOM 364 C CE1 . TYR A 1 45 ? 42.710 54.807 6.528 1.00 26.71 ? 45 TYR A CE1 1 ATOM 365 C CE2 . TYR A 1 45 ? 40.851 55.442 5.149 1.00 26.42 ? 45 TYR A CE2 1 ATOM 366 C CZ . TYR A 1 45 ? 42.128 54.934 5.279 1.00 25.83 ? 45 TYR A CZ 1 ATOM 367 O OH . TYR A 1 45 ? 42.824 54.580 4.153 1.00 30.74 ? 45 TYR A OH 1 ATOM 368 N N . GLU A 1 46 ? 39.800 53.284 10.686 1.00 24.02 ? 46 GLU A N 1 ATOM 369 C CA . GLU A 1 46 ? 40.196 52.672 11.948 1.00 23.05 ? 46 GLU A CA 1 ATOM 370 C C . GLU A 1 46 ? 41.594 52.070 11.945 1.00 21.57 ? 46 GLU A C 1 ATOM 371 O O . GLU A 1 46 ? 42.051 51.546 10.931 1.00 19.00 ? 46 GLU A O 1 ATOM 372 C CB . GLU A 1 46 ? 39.215 51.559 12.316 1.00 26.02 ? 46 GLU A CB 1 ATOM 373 C CG . GLU A 1 46 ? 37.773 51.990 12.459 1.00 29.21 ? 46 GLU A CG 1 ATOM 374 C CD . GLU A 1 46 ? 36.838 50.810 12.701 1.00 33.17 ? 46 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 46 ? 35.622 51.043 12.851 1.00 37.69 ? 46 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 46 ? 37.311 49.651 12.739 1.00 32.82 ? 46 GLU A OE2 1 ATOM 377 N N . PRO A 1 47 ? 42.292 52.138 13.090 1.00 18.06 ? 47 PRO A N 1 ATOM 378 C CA . PRO A 1 47 ? 43.636 51.565 13.171 1.00 17.84 ? 47 PRO A CA 1 ATOM 379 C C . PRO A 1 47 ? 43.479 50.042 13.186 1.00 17.50 ? 47 PRO A C 1 ATOM 380 O O . PRO A 1 47 ? 42.485 49.525 13.691 1.00 16.08 ? 47 PRO A O 1 ATOM 381 C CB . PRO A 1 47 ? 44.159 52.101 14.501 1.00 18.42 ? 47 PRO A CB 1 ATOM 382 C CG . PRO A 1 47 ? 42.892 52.172 15.337 1.00 19.57 ? 47 PRO A CG 1 ATOM 383 C CD . PRO A 1 47 ? 41.925 52.807 14.352 1.00 18.38 ? 47 PRO A CD 1 ATOM 384 N N . ARG A 1 48 ? 44.453 49.333 12.633 1.00 18.39 ? 48 ARG A N 1 ATOM 385 C CA . ARG A 1 48 ? 44.402 47.872 12.587 1.00 19.78 ? 48 ARG A CA 1 ATOM 386 C C . ARG A 1 48 ? 45.663 47.274 13.186 1.00 19.97 ? 48 ARG A C 1 ATOM 387 O O . ARG A 1 48 ? 45.809 46.054 13.270 1.00 20.10 ? 48 ARG A O 1 ATOM 388 C CB . ARG A 1 48 ? 44.220 47.404 11.143 1.00 19.14 ? 48 ARG A CB 1 ATOM 389 C CG . ARG A 1 48 ? 42.930 47.916 10.525 1.00 21.54 ? 48 ARG A CG 1 ATOM 390 C CD . ARG A 1 48 ? 41.741 47.189 11.115 1.00 23.37 ? 48 ARG A CD 1 ATOM 391 N NE . ARG A 1 48 ? 41.658 45.832 10.593 1.00 26.51 ? 48 ARG A NE 1 ATOM 392 C CZ . ARG A 1 48 ? 40.924 44.865 11.132 1.00 30.53 ? 48 ARG A CZ 1 ATOM 393 N NH1 . ARG A 1 48 ? 40.206 45.107 12.224 1.00 29.49 ? 48 ARG A NH1 1 ATOM 394 N NH2 . ARG A 1 48 ? 40.906 43.657 10.575 1.00 28.82 ? 48 ARG A NH2 1 ATOM 395 N N . ALA A 1 49 ? 46.569 48.153 13.600 1.00 19.58 ? 49 ALA A N 1 ATOM 396 C CA . ALA A 1 49 ? 47.821 47.758 14.235 1.00 21.08 ? 49 ALA A CA 1 ATOM 397 C C . ALA A 1 49 ? 47.962 48.638 15.478 1.00 22.66 ? 49 ALA A C 1 ATOM 398 O O . ALA A 1 49 ? 47.644 49.832 15.443 1.00 22.83 ? 49 ALA A O 1 ATOM 399 C CB . ALA A 1 49 ? 48.993 47.973 13.288 1.00 18.01 ? 49 ALA A CB 1 ATOM 400 N N . ARG A 1 50 ? 48.438 48.048 16.567 1.00 22.93 ? 50 ARG A N 1 ATOM 401 C CA . ARG A 1 50 ? 48.584 48.760 17.829 1.00 25.67 ? 50 ARG A CA 1 ATOM 402 C C . ARG A 1 50 ? 49.353 50.072 17.757 1.00 24.37 ? 50 ARG A C 1 ATOM 403 O O . ARG A 1 50 ? 48.940 51.061 18.358 1.00 23.51 ? 50 ARG A O 1 ATOM 404 C CB . ARG A 1 50 ? 49.238 47.854 18.877 1.00 29.04 ? 50 ARG A CB 1 ATOM 405 C CG . ARG A 1 50 ? 49.370 48.498 20.264 1.00 38.49 ? 50 ARG A CG 1 ATOM 406 C CD . ARG A 1 50 ? 48.008 48.838 20.866 1.00 41.83 ? 50 ARG A CD 1 ATOM 407 N NE . ARG A 1 50 ? 47.182 47.648 21.064 1.00 48.23 ? 50 ARG A NE 1 ATOM 408 C CZ . ARG A 1 50 ? 47.263 46.833 22.114 1.00 49.97 ? 50 ARG A CZ 1 ATOM 409 N NH1 . ARG A 1 50 ? 48.135 47.076 23.084 1.00 48.63 ? 50 ARG A NH1 1 ATOM 410 N NH2 . ARG A 1 50 ? 46.472 45.768 22.188 1.00 51.13 ? 50 ARG A NH2 1 ATOM 411 N N . TRP A 1 51 ? 50.462 50.093 17.026 1.00 23.03 ? 51 TRP A N 1 ATOM 412 C CA . TRP A 1 51 ? 51.248 51.313 16.950 1.00 23.32 ? 51 TRP A CA 1 ATOM 413 C C . TRP A 1 51 ? 50.534 52.507 16.319 1.00 23.20 ? 51 TRP A C 1 ATOM 414 O O . TRP A 1 51 ? 51.021 53.633 16.413 1.00 21.69 ? 51 TRP A O 1 ATOM 415 C CB . TRP A 1 51 ? 52.580 51.061 16.235 1.00 24.02 ? 51 TRP A CB 1 ATOM 416 C CG . TRP A 1 51 ? 52.458 50.328 14.952 1.00 26.43 ? 51 TRP A CG 1 ATOM 417 C CD1 . TRP A 1 51 ? 52.441 48.971 14.781 1.00 26.66 ? 51 TRP A CD1 1 ATOM 418 C CD2 . TRP A 1 51 ? 52.302 50.900 13.650 1.00 24.17 ? 51 TRP A CD2 1 ATOM 419 N NE1 . TRP A 1 51 ? 52.283 48.666 13.451 1.00 24.91 ? 51 TRP A NE1 1 ATOM 420 C CE2 . TRP A 1 51 ? 52.194 49.829 12.734 1.00 24.84 ? 51 TRP A CE2 1 ATOM 421 C CE3 . TRP A 1 51 ? 52.241 52.213 13.167 1.00 22.81 ? 51 TRP A CE3 1 ATOM 422 C CZ2 . TRP A 1 51 ? 52.026 50.030 11.362 1.00 22.63 ? 51 TRP A CZ2 1 ATOM 423 C CZ3 . TRP A 1 51 ? 52.074 52.413 11.802 1.00 22.32 ? 51 TRP A CZ3 1 ATOM 424 C CH2 . TRP A 1 51 ? 51.968 51.325 10.917 1.00 22.43 ? 51 TRP A CH2 1 ATOM 425 N N . MET A 1 52 ? 49.389 52.288 15.677 1.00 21.83 ? 52 MET A N 1 ATOM 426 C CA . MET A 1 52 ? 48.685 53.422 15.087 1.00 23.20 ? 52 MET A CA 1 ATOM 427 C C . MET A 1 52 ? 47.989 54.282 16.144 1.00 22.75 ? 52 MET A C 1 ATOM 428 O O . MET A 1 52 ? 47.386 55.304 15.824 1.00 23.78 ? 52 MET A O 1 ATOM 429 C CB . MET A 1 52 ? 47.677 52.968 14.027 1.00 21.19 ? 52 MET A CB 1 ATOM 430 C CG . MET A 1 52 ? 48.314 52.669 12.668 1.00 20.36 ? 52 MET A CG 1 ATOM 431 S SD . MET A 1 52 ? 49.252 54.070 11.973 1.00 22.46 ? 52 MET A SD 1 ATOM 432 C CE . MET A 1 52 ? 47.921 55.132 11.399 1.00 18.10 ? 52 MET A CE 1 ATOM 433 N N . GLU A 1 53 ? 48.079 53.865 17.403 1.00 22.49 ? 53 GLU A N 1 ATOM 434 C CA . GLU A 1 53 ? 47.491 54.622 18.505 1.00 23.34 ? 53 GLU A CA 1 ATOM 435 C C . GLU A 1 53 ? 48.320 55.903 18.665 1.00 23.72 ? 53 GLU A C 1 ATOM 436 O O . GLU A 1 53 ? 47.930 56.828 19.373 1.00 23.14 ? 53 GLU A O 1 ATOM 437 C CB . GLU A 1 53 ? 47.580 53.822 19.801 1.00 22.33 ? 53 GLU A CB 1 ATOM 438 C CG . GLU A 1 53 ? 48.998 53.763 20.347 1.00 25.20 ? 53 GLU A CG 1 ATOM 439 C CD . GLU A 1 53 ? 49.132 52.867 21.554 1.00 25.55 ? 53 GLU A CD 1 ATOM 440 O OE1 . GLU A 1 53 ? 48.175 52.797 22.350 1.00 27.36 ? 53 GLU A OE1 1 ATOM 441 O OE2 . GLU A 1 53 ? 50.203 52.247 21.712 1.00 25.44 ? 53 GLU A OE2 1 ATOM 442 N N . GLN A 1 54 ? 49.478 55.932 18.013 1.00 21.95 ? 54 GLN A N 1 ATOM 443 C CA . GLN A 1 54 ? 50.363 57.078 18.096 1.00 24.82 ? 54 GLN A CA 1 ATOM 444 C C . GLN A 1 54 ? 49.896 58.268 17.269 1.00 25.17 ? 54 GLN A C 1 ATOM 445 O O . GLN A 1 54 ? 50.435 59.361 17.402 1.00 25.77 ? 54 GLN A O 1 ATOM 446 C CB . GLN A 1 54 ? 51.782 56.668 17.697 1.00 24.40 ? 54 GLN A CB 1 ATOM 447 C CG . GLN A 1 54 ? 52.479 55.817 18.758 1.00 24.82 ? 54 GLN A CG 1 ATOM 448 C CD . GLN A 1 54 ? 53.836 55.319 18.309 1.00 25.08 ? 54 GLN A CD 1 ATOM 449 O OE1 . GLN A 1 54 ? 54.694 56.107 17.921 1.00 25.48 ? 54 GLN A OE1 1 ATOM 450 N NE2 . GLN A 1 54 ? 54.037 54.001 18.358 1.00 25.96 ? 54 GLN A NE2 1 ATOM 451 N N . GLU A 1 55 ? 48.898 58.055 16.416 1.00 25.31 ? 55 GLU A N 1 ATOM 452 C CA . GLU A 1 55 ? 48.353 59.137 15.606 1.00 27.37 ? 55 GLU A CA 1 ATOM 453 C C . GLU A 1 55 ? 47.218 59.817 16.388 1.00 28.15 ? 55 GLU A C 1 ATOM 454 O O . GLU A 1 55 ? 46.362 59.145 16.963 1.00 29.46 ? 55 GLU A O 1 ATOM 455 C CB . GLU A 1 55 ? 47.821 58.598 14.274 1.00 26.57 ? 55 GLU A CB 1 ATOM 456 C CG . GLU A 1 55 ? 48.892 58.061 13.339 1.00 24.76 ? 55 GLU A CG 1 ATOM 457 C CD . GLU A 1 55 ? 49.954 59.095 13.011 1.00 28.66 ? 55 GLU A CD 1 ATOM 458 O OE1 . GLU A 1 55 ? 49.658 60.312 13.083 1.00 25.96 ? 55 GLU A OE1 1 ATOM 459 O OE2 . GLU A 1 55 ? 51.084 58.690 12.668 1.00 25.88 ? 55 GLU A OE2 1 ATOM 460 N N . GLY A 1 56 ? 47.225 61.147 16.407 1.00 29.39 ? 56 GLY A N 1 ATOM 461 C CA . GLY A 1 56 ? 46.207 61.892 17.127 1.00 28.72 ? 56 GLY A CA 1 ATOM 462 C C . GLY A 1 56 ? 44.835 61.833 16.487 1.00 29.68 ? 56 GLY A C 1 ATOM 463 O O . GLY A 1 56 ? 44.678 61.222 15.430 1.00 30.71 ? 56 GLY A O 1 ATOM 464 N N . PRO A 1 57 ? 43.814 62.464 17.099 1.00 29.89 ? 57 PRO A N 1 ATOM 465 C CA . PRO A 1 57 ? 42.460 62.446 16.535 1.00 29.42 ? 57 PRO A CA 1 ATOM 466 C C . PRO A 1 57 ? 42.327 63.176 15.195 1.00 28.82 ? 57 PRO A C 1 ATOM 467 O O . PRO A 1 57 ? 41.451 62.853 14.390 1.00 27.67 ? 57 PRO A O 1 ATOM 468 C CB . PRO A 1 57 ? 41.612 63.064 17.649 1.00 29.59 ? 57 PRO A CB 1 ATOM 469 C CG . PRO A 1 57 ? 42.563 64.005 18.317 1.00 29.69 ? 57 PRO A CG 1 ATOM 470 C CD . PRO A 1 57 ? 43.841 63.197 18.379 1.00 29.73 ? 57 PRO A CD 1 ATOM 471 N N . GLU A 1 58 ? 43.193 64.153 14.948 1.00 28.72 ? 58 GLU A N 1 ATOM 472 C CA . GLU A 1 58 ? 43.141 64.876 13.682 1.00 30.65 ? 58 GLU A CA 1 ATOM 473 C C . GLU A 1 58 ? 43.341 63.893 12.525 1.00 27.89 ? 58 GLU A C 1 ATOM 474 O O . GLU A 1 58 ? 42.632 63.949 11.525 1.00 28.40 ? 58 GLU A O 1 ATOM 475 C CB . GLU A 1 58 ? 44.231 65.950 13.614 1.00 34.42 ? 58 GLU A CB 1 ATOM 476 C CG . GLU A 1 58 ? 44.123 67.072 14.640 1.00 43.78 ? 58 GLU A CG 1 ATOM 477 C CD . GLU A 1 58 ? 44.416 66.617 16.067 1.00 49.49 ? 58 GLU A CD 1 ATOM 478 O OE1 . GLU A 1 58 ? 45.071 65.560 16.247 1.00 49.83 ? 58 GLU A OE1 1 ATOM 479 O OE2 . GLU A 1 58 ? 44.001 67.333 17.008 1.00 52.20 ? 58 GLU A OE2 1 ATOM 480 N N . TYR A 1 59 ? 44.316 62.999 12.670 1.00 26.79 ? 59 TYR A N 1 ATOM 481 C CA . TYR A 1 59 ? 44.618 62.005 11.643 1.00 23.41 ? 59 TYR A CA 1 ATOM 482 C C . TYR A 1 59 ? 43.391 61.184 11.280 1.00 23.37 ? 59 TYR A C 1 ATOM 483 O O . TYR A 1 59 ? 43.023 61.083 10.106 1.00 23.06 ? 59 TYR A O 1 ATOM 484 C CB . TYR A 1 59 ? 45.745 61.082 12.126 1.00 23.53 ? 59 TYR A CB 1 ATOM 485 C CG . TYR A 1 59 ? 46.135 59.994 11.153 1.00 22.21 ? 59 TYR A CG 1 ATOM 486 C CD1 . TYR A 1 59 ? 45.422 58.790 11.097 1.00 20.92 ? 59 TYR A CD1 1 ATOM 487 C CD2 . TYR A 1 59 ? 47.224 60.158 10.292 1.00 21.82 ? 59 TYR A CD2 1 ATOM 488 C CE1 . TYR A 1 59 ? 45.786 57.773 10.210 1.00 21.04 ? 59 TYR A CE1 1 ATOM 489 C CE2 . TYR A 1 59 ? 47.599 59.144 9.398 1.00 23.00 ? 59 TYR A CE2 1 ATOM 490 C CZ . TYR A 1 59 ? 46.871 57.955 9.369 1.00 22.24 ? 59 TYR A CZ 1 ATOM 491 O OH . TYR A 1 59 ? 47.238 56.953 8.505 1.00 23.92 ? 59 TYR A OH 1 ATOM 492 N N . TRP A 1 60 ? 42.746 60.606 12.286 1.00 22.70 ? 60 TRP A N 1 ATOM 493 C CA . TRP A 1 60 ? 41.562 59.790 12.046 1.00 24.02 ? 60 TRP A CA 1 ATOM 494 C C . TRP A 1 60 ? 40.411 60.567 11.411 1.00 25.12 ? 60 TRP A C 1 ATOM 495 O O . TRP A 1 60 ? 39.690 60.043 10.559 1.00 25.42 ? 60 TRP A O 1 ATOM 496 C CB . TRP A 1 60 ? 41.118 59.136 13.356 1.00 22.28 ? 60 TRP A CB 1 ATOM 497 C CG . TRP A 1 60 ? 42.213 58.280 13.902 1.00 24.40 ? 60 TRP A CG 1 ATOM 498 C CD1 . TRP A 1 60 ? 42.968 58.518 15.016 1.00 23.21 ? 60 TRP A CD1 1 ATOM 499 C CD2 . TRP A 1 60 ? 42.773 57.117 13.278 1.00 22.22 ? 60 TRP A CD2 1 ATOM 500 N NE1 . TRP A 1 60 ? 43.972 57.582 15.116 1.00 24.61 ? 60 TRP A NE1 1 ATOM 501 C CE2 . TRP A 1 60 ? 43.877 56.711 14.062 1.00 23.46 ? 60 TRP A CE2 1 ATOM 502 C CE3 . TRP A 1 60 ? 42.453 56.384 12.127 1.00 22.60 ? 60 TRP A CE3 1 ATOM 503 C CZ2 . TRP A 1 60 ? 44.667 55.599 13.734 1.00 21.88 ? 60 TRP A CZ2 1 ATOM 504 C CZ3 . TRP A 1 60 ? 43.241 55.274 11.797 1.00 22.51 ? 60 TRP A CZ3 1 ATOM 505 C CH2 . TRP A 1 60 ? 44.336 54.898 12.599 1.00 21.50 ? 60 TRP A CH2 1 ATOM 506 N N . GLU A 1 61 ? 40.238 61.816 11.817 1.00 26.89 ? 61 GLU A N 1 ATOM 507 C CA . GLU A 1 61 ? 39.165 62.629 11.264 1.00 28.11 ? 61 GLU A CA 1 ATOM 508 C C . GLU A 1 61 ? 39.457 62.918 9.796 1.00 27.03 ? 61 GLU A C 1 ATOM 509 O O . GLU A 1 61 ? 38.588 62.780 8.940 1.00 25.84 ? 61 GLU A O 1 ATOM 510 C CB . GLU A 1 61 ? 39.049 63.941 12.043 1.00 31.80 ? 61 GLU A CB 1 ATOM 511 C CG . GLU A 1 61 ? 37.887 64.833 11.617 1.00 37.47 ? 61 GLU A CG 1 ATOM 512 C CD . GLU A 1 61 ? 36.551 64.125 11.703 1.00 41.60 ? 61 GLU A CD 1 ATOM 513 O OE1 . GLU A 1 61 ? 36.295 63.458 12.729 1.00 44.06 ? 61 GLU A OE1 1 ATOM 514 O OE2 . GLU A 1 61 ? 35.753 64.240 10.747 1.00 46.86 ? 61 GLU A OE2 1 ATOM 515 N N . ARG A 1 62 ? 40.695 63.303 9.511 1.00 28.10 ? 62 ARG A N 1 ATOM 516 C CA . ARG A 1 62 ? 41.105 63.626 8.148 1.00 29.68 ? 62 ARG A CA 1 ATOM 517 C C . ARG A 1 62 ? 41.039 62.422 7.205 1.00 29.24 ? 62 ARG A C 1 ATOM 518 O O . ARG A 1 62 ? 40.571 62.536 6.070 1.00 27.44 ? 62 ARG A O 1 ATOM 519 C CB . ARG A 1 62 ? 42.513 64.220 8.171 1.00 32.69 ? 62 ARG A CB 1 ATOM 520 C CG . ARG A 1 62 ? 43.193 64.301 6.826 1.00 39.86 ? 62 ARG A CG 1 ATOM 521 C CD . ARG A 1 62 ? 44.367 65.260 6.891 1.00 45.55 ? 62 ARG A CD 1 ATOM 522 N NE . ARG A 1 62 ? 45.198 65.028 8.072 1.00 51.18 ? 62 ARG A NE 1 ATOM 523 C CZ . ARG A 1 62 ? 45.891 63.916 8.301 1.00 54.08 ? 62 ARG A CZ 1 ATOM 524 N NH1 . ARG A 1 62 ? 45.861 62.916 7.427 1.00 54.34 ? 62 ARG A NH1 1 ATOM 525 N NH2 . ARG A 1 62 ? 46.620 63.808 9.404 1.00 55.38 ? 62 ARG A NH2 1 ATOM 526 N N . GLU A 1 63 ? 41.502 61.268 7.676 1.00 28.12 ? 63 GLU A N 1 ATOM 527 C CA . GLU A 1 63 ? 41.476 60.060 6.860 1.00 26.43 ? 63 GLU A CA 1 ATOM 528 C C . GLU A 1 63 ? 40.043 59.589 6.655 1.00 25.49 ? 63 GLU A C 1 ATOM 529 O O . GLU A 1 63 ? 39.705 59.066 5.597 1.00 25.36 ? 63 GLU A O 1 ATOM 530 C CB . GLU A 1 63 ? 42.312 58.959 7.511 1.00 27.14 ? 63 GLU A CB 1 ATOM 531 C CG . GLU A 1 63 ? 43.797 59.297 7.592 1.00 30.62 ? 63 GLU A CG 1 ATOM 532 C CD . GLU A 1 63 ? 44.374 59.699 6.247 1.00 35.36 ? 63 GLU A CD 1 ATOM 533 O OE1 . GLU A 1 63 ? 44.187 58.943 5.268 1.00 38.61 ? 63 GLU A OE1 1 ATOM 534 O OE2 . GLU A 1 63 ? 45.015 60.768 6.165 1.00 37.83 ? 63 GLU A OE2 1 ATOM 535 N N . THR A 1 64 ? 39.199 59.778 7.663 1.00 25.68 ? 64 THR A N 1 ATOM 536 C CA . THR A 1 64 ? 37.799 59.389 7.547 1.00 24.99 ? 64 THR A CA 1 ATOM 537 C C . THR A 1 64 ? 37.097 60.270 6.508 1.00 27.69 ? 64 THR A C 1 ATOM 538 O O . THR A 1 64 ? 36.326 59.779 5.683 1.00 27.21 ? 64 THR A O 1 ATOM 539 C CB . THR A 1 64 ? 37.066 59.520 8.895 1.00 25.01 ? 64 THR A CB 1 ATOM 540 O OG1 . THR A 1 64 ? 37.545 58.515 9.798 1.00 23.44 ? 64 THR A OG1 1 ATOM 541 C CG2 . THR A 1 64 ? 35.563 59.344 8.712 1.00 23.51 ? 64 THR A CG2 1 ATOM 542 N N . GLN A 1 65 ? 37.365 61.572 6.539 1.00 29.44 ? 65 GLN A N 1 ATOM 543 C CA . GLN A 1 65 ? 36.737 62.474 5.581 1.00 31.12 ? 65 GLN A CA 1 ATOM 544 C C . GLN A 1 65 ? 37.244 62.181 4.180 1.00 30.48 ? 65 GLN A C 1 ATOM 545 O O . GLN A 1 65 ? 36.481 62.200 3.216 1.00 30.79 ? 65 GLN A O 1 ATOM 546 C CB . GLN A 1 65 ? 37.019 63.933 5.941 1.00 32.61 ? 65 GLN A CB 1 ATOM 547 C CG . GLN A 1 65 ? 36.303 64.407 7.195 1.00 37.50 ? 65 GLN A CG 1 ATOM 548 C CD . GLN A 1 65 ? 34.813 64.100 7.172 1.00 40.96 ? 65 GLN A CD 1 ATOM 549 O OE1 . GLN A 1 65 ? 34.102 64.482 6.241 1.00 43.49 ? 65 GLN A OE1 1 ATOM 550 N NE2 . GLN A 1 65 ? 34.332 63.412 8.206 1.00 42.98 ? 65 GLN A NE2 1 ATOM 551 N N . LYS A 1 66 ? 38.535 61.900 4.073 1.00 30.06 ? 66 LYS A N 1 ATOM 552 C CA . LYS A 1 66 ? 39.136 61.593 2.784 1.00 31.44 ? 66 LYS A CA 1 ATOM 553 C C . LYS A 1 66 ? 38.529 60.315 2.204 1.00 30.63 ? 66 LYS A C 1 ATOM 554 O O . LYS A 1 66 ? 38.296 60.221 0.995 1.00 29.24 ? 66 LYS A O 1 ATOM 555 C CB . LYS A 1 66 ? 40.648 61.421 2.936 1.00 33.14 ? 66 LYS A CB 1 ATOM 556 C CG . LYS A 1 66 ? 41.372 61.125 1.632 1.00 36.99 ? 66 LYS A CG 1 ATOM 557 C CD . LYS A 1 66 ? 42.822 60.750 1.884 1.00 37.99 ? 66 LYS A CD 1 ATOM 558 C CE . LYS A 1 66 ? 43.560 61.838 2.629 1.00 38.18 ? 66 LYS A CE 1 ATOM 559 N NZ . LYS A 1 66 ? 44.961 61.429 2.910 1.00 38.47 ? 66 LYS A NZ 1 ATOM 560 N N . ALA A 1 67 ? 38.273 59.336 3.070 1.00 28.94 ? 67 ALA A N 1 ATOM 561 C CA . ALA A 1 67 ? 37.693 58.069 2.640 1.00 28.20 ? 67 ALA A CA 1 ATOM 562 C C . ALA A 1 67 ? 36.257 58.254 2.162 1.00 29.78 ? 67 ALA A C 1 ATOM 563 O O . ALA A 1 67 ? 35.842 57.651 1.168 1.00 29.13 ? 67 ALA A O 1 ATOM 564 C CB . ALA A 1 67 ? 37.737 57.049 3.779 1.00 26.86 ? 67 ALA A CB 1 ATOM 565 N N . LYS A 1 68 ? 35.484 59.071 2.868 1.00 29.66 ? 68 LYS A N 1 ATOM 566 C CA . LYS A 1 68 ? 34.106 59.298 2.453 1.00 31.51 ? 68 LYS A CA 1 ATOM 567 C C . LYS A 1 68 ? 34.079 60.037 1.120 1.00 30.49 ? 68 LYS A C 1 ATOM 568 O O . LYS A 1 68 ? 33.203 59.803 0.292 1.00 31.25 ? 68 LYS A O 1 ATOM 569 C CB . LYS A 1 68 ? 33.335 60.078 3.522 1.00 33.14 ? 68 LYS A CB 1 ATOM 570 C CG . LYS A 1 68 ? 33.032 59.246 4.752 1.00 35.62 ? 68 LYS A CG 1 ATOM 571 C CD . LYS A 1 68 ? 32.193 60.004 5.760 1.00 39.09 ? 68 LYS A CD 1 ATOM 572 C CE . LYS A 1 68 ? 31.823 59.117 6.930 1.00 38.53 ? 68 LYS A CE 1 ATOM 573 N NZ . LYS A 1 68 ? 30.949 59.822 7.907 1.00 42.98 ? 68 LYS A NZ 1 ATOM 574 N N . GLY A 1 69 ? 35.052 60.916 0.911 1.00 32.95 ? 69 GLY A N 1 ATOM 575 C CA . GLY A 1 69 ? 35.127 61.649 -0.339 1.00 33.74 ? 69 GLY A CA 1 ATOM 576 C C . GLY A 1 69 ? 35.442 60.691 -1.475 1.00 36.97 ? 69 GLY A C 1 ATOM 577 O O . GLY A 1 69 ? 34.841 60.766 -2.552 1.00 36.97 ? 69 GLY A O 1 ATOM 578 N N . ASN A 1 70 ? 36.389 59.786 -1.237 1.00 36.63 ? 70 ASN A N 1 ATOM 579 C CA . ASN A 1 70 ? 36.761 58.802 -2.242 1.00 36.93 ? 70 ASN A CA 1 ATOM 580 C C . ASN A 1 70 ? 35.577 57.887 -2.538 1.00 37.77 ? 70 ASN A C 1 ATOM 581 O O . ASN A 1 70 ? 35.338 57.511 -3.688 1.00 37.75 ? 70 ASN A O 1 ATOM 582 C CB . ASN A 1 70 ? 37.950 57.962 -1.768 1.00 36.31 ? 70 ASN A CB 1 ATOM 583 C CG . ASN A 1 70 ? 39.268 58.689 -1.908 1.00 37.50 ? 70 ASN A CG 1 ATOM 584 O OD1 . ASN A 1 70 ? 39.488 59.414 -2.877 1.00 39.32 ? 70 ASN A OD1 1 ATOM 585 N ND2 . ASN A 1 70 ? 40.163 58.483 -0.953 1.00 37.80 ? 70 ASN A ND2 1 ATOM 586 N N . GLU A 1 71 ? 34.836 57.527 -1.497 1.00 37.88 ? 71 GLU A N 1 ATOM 587 C CA . GLU A 1 71 ? 33.675 56.664 -1.664 1.00 38.49 ? 71 GLU A CA 1 ATOM 588 C C . GLU A 1 71 ? 32.680 57.286 -2.643 1.00 40.59 ? 71 GLU A C 1 ATOM 589 O O . GLU A 1 71 ? 32.315 56.674 -3.645 1.00 40.52 ? 71 GLU A O 1 ATOM 590 C CB . GLU A 1 71 ? 32.994 56.427 -0.318 1.00 36.77 ? 71 GLU A CB 1 ATOM 591 C CG . GLU A 1 71 ? 31.554 55.963 -0.426 1.00 37.39 ? 71 GLU A CG 1 ATOM 592 C CD . GLU A 1 71 ? 30.941 55.650 0.921 1.00 38.82 ? 71 GLU A CD 1 ATOM 593 O OE1 . GLU A 1 71 ? 31.328 56.294 1.916 1.00 40.19 ? 71 GLU A OE1 1 ATOM 594 O OE2 . GLU A 1 71 ? 30.061 54.766 0.988 1.00 41.13 ? 71 GLU A OE2 1 ATOM 595 N N . GLN A 1 72 ? 32.247 58.507 -2.346 1.00 42.20 ? 72 GLN A N 1 ATOM 596 C CA . GLN A 1 72 ? 31.292 59.201 -3.201 1.00 41.94 ? 72 GLN A CA 1 ATOM 597 C C . GLN A 1 72 ? 31.820 59.352 -4.618 1.00 40.52 ? 72 GLN A C 1 ATOM 598 O O . GLN A 1 72 ? 31.073 59.202 -5.582 1.00 42.45 ? 72 GLN A O 1 ATOM 599 C CB . GLN A 1 72 ? 30.961 60.577 -2.615 1.00 43.59 ? 72 GLN A CB 1 ATOM 600 C CG . GLN A 1 72 ? 30.192 60.502 -1.310 1.00 45.57 ? 72 GLN A CG 1 ATOM 601 C CD . GLN A 1 72 ? 28.819 59.872 -1.480 1.00 48.97 ? 72 GLN A CD 1 ATOM 602 O OE1 . GLN A 1 72 ? 28.249 59.330 -0.531 1.00 51.12 ? 72 GLN A OE1 1 ATOM 603 N NE2 . GLN A 1 72 ? 28.274 59.952 -2.691 1.00 48.82 ? 72 GLN A NE2 1 ATOM 604 N N . SER A 1 73 ? 33.109 59.635 -4.748 1.00 39.38 ? 73 SER A N 1 ATOM 605 C CA . SER A 1 73 ? 33.703 59.803 -6.066 1.00 38.12 ? 73 SER A CA 1 ATOM 606 C C . SER A 1 73 ? 33.758 58.484 -6.841 1.00 37.03 ? 73 SER A C 1 ATOM 607 O O . SER A 1 73 ? 33.701 58.488 -8.070 1.00 37.23 ? 73 SER A O 1 ATOM 608 C CB . SER A 1 73 ? 35.107 60.393 -5.949 1.00 37.87 ? 73 SER A CB 1 ATOM 609 O OG . SER A 1 73 ? 36.064 59.386 -5.678 1.00 40.67 ? 73 SER A OG 1 ATOM 610 N N . PHE A 1 74 ? 33.880 57.358 -6.137 1.00 33.54 ? 74 PHE A N 1 ATOM 611 C CA . PHE A 1 74 ? 33.913 56.068 -6.819 1.00 31.68 ? 74 PHE A CA 1 ATOM 612 C C . PHE A 1 74 ? 32.513 55.694 -7.284 1.00 30.13 ? 74 PHE A C 1 ATOM 613 O O . PHE A 1 74 ? 32.344 54.908 -8.214 1.00 28.58 ? 74 PHE A O 1 ATOM 614 C CB . PHE A 1 74 ? 34.488 54.970 -5.913 1.00 28.92 ? 74 PHE A CB 1 ATOM 615 C CG . PHE A 1 74 ? 35.984 54.847 -5.997 1.00 29.63 ? 74 PHE A CG 1 ATOM 616 C CD1 . PHE A 1 74 ? 36.807 55.856 -5.512 1.00 30.18 ? 74 PHE A CD1 1 ATOM 617 C CD2 . PHE A 1 74 ? 36.572 53.742 -6.604 1.00 31.54 ? 74 PHE A CD2 1 ATOM 618 C CE1 . PHE A 1 74 ? 38.193 55.775 -5.631 1.00 30.58 ? 74 PHE A CE1 1 ATOM 619 C CE2 . PHE A 1 74 ? 37.959 53.651 -6.728 1.00 32.13 ? 74 PHE A CE2 1 ATOM 620 C CZ . PHE A 1 74 ? 38.771 54.673 -6.240 1.00 28.90 ? 74 PHE A CZ 1 ATOM 621 N N . ARG A 1 75 ? 31.506 56.267 -6.636 1.00 30.32 ? 75 ARG A N 1 ATOM 622 C CA . ARG A 1 75 ? 30.130 55.998 -7.018 1.00 32.50 ? 75 ARG A CA 1 ATOM 623 C C . ARG A 1 75 ? 29.954 56.577 -8.420 1.00 31.07 ? 75 ARG A C 1 ATOM 624 O O . ARG A 1 75 ? 29.256 56.010 -9.260 1.00 30.66 ? 75 ARG A O 1 ATOM 625 C CB . ARG A 1 75 ? 29.169 56.658 -6.021 1.00 37.11 ? 75 ARG A CB 1 ATOM 626 C CG . ARG A 1 75 ? 27.695 56.439 -6.309 1.00 42.38 ? 75 ARG A CG 1 ATOM 627 C CD . ARG A 1 75 ? 26.845 56.889 -5.122 1.00 48.18 ? 75 ARG A CD 1 ATOM 628 N NE . ARG A 1 75 ? 25.415 56.944 -5.432 1.00 52.50 ? 75 ARG A NE 1 ATOM 629 C CZ . ARG A 1 75 ? 24.848 57.858 -6.218 1.00 54.67 ? 75 ARG A CZ 1 ATOM 630 N NH1 . ARG A 1 75 ? 25.586 58.808 -6.784 1.00 54.41 ? 75 ARG A NH1 1 ATOM 631 N NH2 . ARG A 1 75 ? 23.537 57.824 -6.436 1.00 54.50 ? 75 ARG A NH2 1 ATOM 632 N N . VAL A 1 76 ? 30.616 57.703 -8.667 1.00 27.67 ? 76 VAL A N 1 ATOM 633 C CA . VAL A 1 76 ? 30.564 58.363 -9.962 1.00 27.32 ? 76 VAL A CA 1 ATOM 634 C C . VAL A 1 76 ? 31.315 57.522 -10.986 1.00 25.52 ? 76 VAL A C 1 ATOM 635 O O . VAL A 1 76 ? 30.840 57.332 -12.108 1.00 25.87 ? 76 VAL A O 1 ATOM 636 C CB . VAL A 1 76 ? 31.199 59.770 -9.893 1.00 26.55 ? 76 VAL A CB 1 ATOM 637 C CG1 . VAL A 1 76 ? 31.192 60.417 -11.266 1.00 27.63 ? 76 VAL A CG1 1 ATOM 638 C CG2 . VAL A 1 76 ? 30.435 60.627 -8.894 1.00 25.60 ? 76 VAL A CG2 1 ATOM 639 N N . ASP A 1 77 ? 32.483 57.014 -10.595 1.00 23.24 ? 77 ASP A N 1 ATOM 640 C CA . ASP A 1 77 ? 33.287 56.176 -11.489 1.00 24.19 ? 77 ASP A CA 1 ATOM 641 C C . ASP A 1 77 ? 32.511 54.953 -11.967 1.00 22.85 ? 77 ASP A C 1 ATOM 642 O O . ASP A 1 77 ? 32.547 54.617 -13.150 1.00 22.93 ? 77 ASP A O 1 ATOM 643 C CB . ASP A 1 77 ? 34.577 55.713 -10.801 1.00 23.64 ? 77 ASP A CB 1 ATOM 644 C CG . ASP A 1 77 ? 35.525 56.856 -10.515 1.00 26.99 ? 77 ASP A CG 1 ATOM 645 O OD1 . ASP A 1 77 ? 35.612 57.780 -11.353 1.00 29.38 ? 77 ASP A OD1 1 ATOM 646 O OD2 . ASP A 1 77 ? 36.194 56.829 -9.462 1.00 29.68 ? 77 ASP A OD2 1 ATOM 647 N N . LEU A 1 78 ? 31.822 54.280 -11.048 1.00 23.08 ? 78 LEU A N 1 ATOM 648 C CA . LEU A 1 78 ? 31.048 53.099 -11.422 1.00 23.92 ? 78 LEU A CA 1 ATOM 649 C C . LEU A 1 78 ? 30.021 53.471 -12.494 1.00 25.34 ? 78 LEU A C 1 ATOM 650 O O . LEU A 1 78 ? 29.851 52.743 -13.466 1.00 24.93 ? 78 LEU A O 1 ATOM 651 C CB . LEU A 1 78 ? 30.359 52.497 -10.191 1.00 20.31 ? 78 LEU A CB 1 ATOM 652 C CG . LEU A 1 78 ? 31.308 51.766 -9.232 1.00 21.55 ? 78 LEU A CG 1 ATOM 653 C CD1 . LEU A 1 78 ? 30.665 51.601 -7.866 1.00 18.76 ? 78 LEU A CD1 1 ATOM 654 C CD2 . LEU A 1 78 ? 31.684 50.401 -9.824 1.00 20.67 ? 78 LEU A CD2 1 ATOM 655 N N . ARG A 1 79 ? 29.354 54.612 -12.329 1.00 26.52 ? 79 ARG A N 1 ATOM 656 C CA . ARG A 1 79 ? 28.371 55.044 -13.319 1.00 29.34 ? 79 ARG A CA 1 ATOM 657 C C . ARG A 1 79 ? 29.065 55.395 -14.631 1.00 27.54 ? 79 ARG A C 1 ATOM 658 O O . ARG A 1 79 ? 28.590 55.035 -15.708 1.00 27.06 ? 79 ARG A O 1 ATOM 659 C CB . ARG A 1 79 ? 27.579 56.261 -12.822 1.00 34.25 ? 79 ARG A CB 1 ATOM 660 C CG . ARG A 1 79 ? 26.564 55.936 -11.735 1.00 44.28 ? 79 ARG A CG 1 ATOM 661 C CD . ARG A 1 79 ? 25.529 57.047 -11.578 1.00 50.01 ? 79 ARG A CD 1 ATOM 662 N NE . ARG A 1 79 ? 26.086 58.278 -11.025 1.00 54.08 ? 79 ARG A NE 1 ATOM 663 C CZ . ARG A 1 79 ? 26.470 58.427 -9.760 1.00 57.12 ? 79 ARG A CZ 1 ATOM 664 N NH1 . ARG A 1 79 ? 26.361 57.423 -8.899 1.00 58.24 ? 79 ARG A NH1 1 ATOM 665 N NH2 . ARG A 1 79 ? 26.962 59.589 -9.355 1.00 59.36 ? 79 ARG A NH2 1 ATOM 666 N N . THR A 1 80 ? 30.195 56.092 -14.540 1.00 25.76 ? 80 THR A N 1 ATOM 667 C CA . THR A 1 80 ? 30.931 56.473 -15.734 1.00 24.57 ? 80 THR A CA 1 ATOM 668 C C . THR A 1 80 ? 31.312 55.253 -16.570 1.00 25.35 ? 80 THR A C 1 ATOM 669 O O . THR A 1 80 ? 31.144 55.262 -17.788 1.00 22.78 ? 80 THR A O 1 ATOM 670 C CB . THR A 1 80 ? 32.214 57.253 -15.386 1.00 25.19 ? 80 THR A CB 1 ATOM 671 O OG1 . THR A 1 80 ? 31.874 58.467 -14.700 1.00 24.82 ? 80 THR A OG1 1 ATOM 672 C CG2 . THR A 1 80 ? 32.973 57.601 -16.651 1.00 23.93 ? 80 THR A CG2 1 ATOM 673 N N . LEU A 1 81 ? 31.816 54.203 -15.925 1.00 24.80 ? 81 LEU A N 1 ATOM 674 C CA . LEU A 1 81 ? 32.212 53.009 -16.668 1.00 26.62 ? 81 LEU A CA 1 ATOM 675 C C . LEU A 1 81 ? 31.039 52.299 -17.334 1.00 27.09 ? 81 LEU A C 1 ATOM 676 O O . LEU A 1 81 ? 31.226 51.615 -18.336 1.00 29.27 ? 81 LEU A O 1 ATOM 677 C CB . LEU A 1 81 ? 32.976 52.027 -15.769 1.00 24.25 ? 81 LEU A CB 1 ATOM 678 C CG . LEU A 1 81 ? 34.268 52.590 -15.160 1.00 29.44 ? 81 LEU A CG 1 ATOM 679 C CD1 . LEU A 1 81 ? 35.173 51.445 -14.707 1.00 26.46 ? 81 LEU A CD1 1 ATOM 680 C CD2 . LEU A 1 81 ? 35.002 53.446 -16.191 1.00 25.17 ? 81 LEU A CD2 1 ATOM 681 N N . LEU A 1 82 ? 29.835 52.445 -16.787 1.00 28.09 ? 82 LEU A N 1 ATOM 682 C CA . LEU A 1 82 ? 28.672 51.809 -17.407 1.00 28.06 ? 82 LEU A CA 1 ATOM 683 C C . LEU A 1 82 ? 28.506 52.440 -18.786 1.00 28.74 ? 82 LEU A C 1 ATOM 684 O O . LEU A 1 82 ? 28.135 51.769 -19.755 1.00 28.33 ? 82 LEU A O 1 ATOM 685 C CB . LEU A 1 82 ? 27.405 52.030 -16.574 1.00 28.58 ? 82 LEU A CB 1 ATOM 686 C CG . LEU A 1 82 ? 27.247 51.242 -15.270 1.00 29.31 ? 82 LEU A CG 1 ATOM 687 C CD1 . LEU A 1 82 ? 25.903 51.589 -14.637 1.00 28.74 ? 82 LEU A CD1 1 ATOM 688 C CD2 . LEU A 1 82 ? 27.328 49.749 -15.544 1.00 27.46 ? 82 LEU A CD2 1 ATOM 689 N N . GLY A 1 83 ? 28.790 53.737 -18.865 1.00 26.46 ? 83 GLY A N 1 ATOM 690 C CA . GLY A 1 83 ? 28.695 54.438 -20.132 1.00 27.78 ? 83 GLY A CA 1 ATOM 691 C C . GLY A 1 83 ? 29.813 54.057 -21.089 1.00 27.41 ? 83 GLY A C 1 ATOM 692 O O . GLY A 1 83 ? 29.571 53.832 -22.276 1.00 28.71 ? 83 GLY A O 1 ATOM 693 N N . TYR A 1 84 ? 31.043 53.978 -20.585 1.00 26.59 ? 84 TYR A N 1 ATOM 694 C CA . TYR A 1 84 ? 32.177 53.613 -21.431 1.00 27.37 ? 84 TYR A CA 1 ATOM 695 C C . TYR A 1 84 ? 31.965 52.237 -22.060 1.00 28.70 ? 84 TYR A C 1 ATOM 696 O O . TYR A 1 84 ? 32.225 52.040 -23.245 1.00 27.69 ? 84 TYR A O 1 ATOM 697 C CB . TYR A 1 84 ? 33.486 53.561 -20.624 1.00 27.60 ? 84 TYR A CB 1 ATOM 698 C CG . TYR A 1 84 ? 34.039 54.884 -20.130 1.00 26.48 ? 84 TYR A CG 1 ATOM 699 C CD1 . TYR A 1 84 ? 33.562 56.102 -20.612 1.00 28.01 ? 84 TYR A CD1 1 ATOM 700 C CD2 . TYR A 1 84 ? 35.076 54.909 -19.200 1.00 26.00 ? 84 TYR A CD2 1 ATOM 701 C CE1 . TYR A 1 84 ? 34.109 57.315 -20.175 1.00 27.65 ? 84 TYR A CE1 1 ATOM 702 C CE2 . TYR A 1 84 ? 35.628 56.105 -18.762 1.00 25.00 ? 84 TYR A CE2 1 ATOM 703 C CZ . TYR A 1 84 ? 35.144 57.305 -19.249 1.00 26.12 ? 84 TYR A CZ 1 ATOM 704 O OH . TYR A 1 84 ? 35.694 58.490 -18.795 1.00 25.51 ? 84 TYR A OH 1 ATOM 705 N N . TYR A 1 85 ? 31.498 51.287 -21.255 1.00 27.89 ? 85 TYR A N 1 ATOM 706 C CA . TYR A 1 85 ? 31.293 49.920 -21.726 1.00 30.03 ? 85 TYR A CA 1 ATOM 707 C C . TYR A 1 85 ? 29.880 49.598 -22.204 1.00 31.82 ? 85 TYR A C 1 ATOM 708 O O . TYR A 1 85 ? 29.608 48.465 -22.601 1.00 32.62 ? 85 TYR A O 1 ATOM 709 C CB . TYR A 1 85 ? 31.690 48.942 -20.619 1.00 27.05 ? 85 TYR A CB 1 ATOM 710 C CG . TYR A 1 85 ? 33.169 48.939 -20.304 1.00 28.62 ? 85 TYR A CG 1 ATOM 711 C CD1 . TYR A 1 85 ? 34.078 48.300 -21.145 1.00 29.28 ? 85 TYR A CD1 1 ATOM 712 C CD2 . TYR A 1 85 ? 33.663 49.578 -19.167 1.00 27.53 ? 85 TYR A CD2 1 ATOM 713 C CE1 . TYR A 1 85 ? 35.445 48.294 -20.862 1.00 28.32 ? 85 TYR A CE1 1 ATOM 714 C CE2 . TYR A 1 85 ? 35.027 49.580 -18.876 1.00 27.31 ? 85 TYR A CE2 1 ATOM 715 C CZ . TYR A 1 85 ? 35.911 48.936 -19.724 1.00 27.61 ? 85 TYR A CZ 1 ATOM 716 O OH . TYR A 1 85 ? 37.257 48.929 -19.435 1.00 24.95 ? 85 TYR A OH 1 ATOM 717 N N . ASN A 1 86 ? 28.990 50.588 -22.167 1.00 34.60 ? 86 ASN A N 1 ATOM 718 C CA . ASN A 1 86 ? 27.597 50.407 -22.583 1.00 37.00 ? 86 ASN A CA 1 ATOM 719 C C . ASN A 1 86 ? 26.984 49.205 -21.874 1.00 36.31 ? 86 ASN A C 1 ATOM 720 O O . ASN A 1 86 ? 26.500 48.275 -22.517 1.00 35.79 ? 86 ASN A O 1 ATOM 721 C CB . ASN A 1 86 ? 27.502 50.209 -24.105 1.00 42.21 ? 86 ASN A CB 1 ATOM 722 C CG . ASN A 1 86 ? 26.067 50.304 -24.620 1.00 48.37 ? 86 ASN A CG 1 ATOM 723 O OD1 . ASN A 1 86 ? 25.368 51.274 -24.326 1.00 48.58 ? 86 ASN A OD1 1 ATOM 724 N ND2 . ASN A 1 86 ? 25.626 49.316 -25.395 1.00 55.08 ? 86 ASN A ND2 1 ATOM 725 N N . GLN A 1 87 ? 27.001 49.226 -20.546 1.00 35.83 ? 87 GLN A N 1 ATOM 726 C CA . GLN A 1 87 ? 26.457 48.118 -19.772 1.00 36.15 ? 87 GLN A CA 1 ATOM 727 C C . GLN A 1 87 ? 25.157 48.477 -19.059 1.00 36.54 ? 87 GLN A C 1 ATOM 728 O O . GLN A 1 87 ? 24.884 49.644 -18.776 1.00 35.18 ? 87 GLN A O 1 ATOM 729 C CB . GLN A 1 87 ? 27.489 47.643 -18.741 1.00 34.50 ? 87 GLN A CB 1 ATOM 730 C CG . GLN A 1 87 ? 28.840 47.250 -19.329 1.00 32.51 ? 87 GLN A CG 1 ATOM 731 C CD . GLN A 1 87 ? 29.877 46.967 -18.251 1.00 31.87 ? 87 GLN A CD 1 ATOM 732 O OE1 . GLN A 1 87 ? 30.031 47.742 -17.312 1.00 29.67 ? 87 GLN A OE1 1 ATOM 733 N NE2 . GLN A 1 87 ? 30.596 45.859 -18.389 1.00 32.01 ? 87 GLN A NE2 1 ATOM 734 N N . SER A 1 88 ? 24.360 47.455 -18.769 1.00 38.48 ? 88 SER A N 1 ATOM 735 C CA . SER A 1 88 ? 23.094 47.642 -18.077 1.00 40.74 ? 88 SER A CA 1 ATOM 736 C C . SER A 1 88 ? 23.303 48.279 -16.709 1.00 41.43 ? 88 SER A C 1 ATOM 737 O O . SER A 1 88 ? 24.368 48.154 -16.099 1.00 41.25 ? 88 SER A O 1 ATOM 738 C CB . SER A 1 88 ? 22.380 46.301 -17.902 1.00 40.74 ? 88 SER A CB 1 ATOM 739 O OG . SER A 1 88 ? 21.327 46.419 -16.960 1.00 41.91 ? 88 SER A OG 1 ATOM 740 N N . LYS A 1 89 ? 22.268 48.952 -16.226 1.00 41.50 ? 89 LYS A N 1 ATOM 741 C CA . LYS A 1 89 ? 22.325 49.619 -14.936 1.00 42.33 ? 89 LYS A CA 1 ATOM 742 C C . LYS A 1 89 ? 21.917 48.666 -13.813 1.00 40.10 ? 89 LYS A C 1 ATOM 743 O O . LYS A 1 89 ? 21.933 49.035 -12.643 1.00 41.09 ? 89 LYS A O 1 ATOM 744 C CB . LYS A 1 89 ? 21.396 50.837 -14.960 1.00 45.00 ? 89 LYS A CB 1 ATOM 745 C CG . LYS A 1 89 ? 21.640 51.859 -13.870 1.00 49.91 ? 89 LYS A CG 1 ATOM 746 C CD . LYS A 1 89 ? 20.777 53.097 -14.104 1.00 54.41 ? 89 LYS A CD 1 ATOM 747 C CE . LYS A 1 89 ? 21.064 54.196 -13.085 1.00 56.82 ? 89 LYS A CE 1 ATOM 748 N NZ . LYS A 1 89 ? 20.233 55.415 -13.323 1.00 57.72 ? 89 LYS A NZ 1 ATOM 749 N N . GLY A 1 90 ? 21.573 47.432 -14.167 1.00 38.90 ? 90 GLY A N 1 ATOM 750 C CA . GLY A 1 90 ? 21.147 46.479 -13.157 1.00 36.95 ? 90 GLY A CA 1 ATOM 751 C C . GLY A 1 90 ? 22.159 45.448 -12.692 1.00 35.94 ? 90 GLY A C 1 ATOM 752 O O . GLY A 1 90 ? 21.857 44.650 -11.808 1.00 34.95 ? 90 GLY A O 1 ATOM 753 N N . GLY A 1 91 ? 23.354 45.452 -13.270 1.00 33.36 ? 91 GLY A N 1 ATOM 754 C CA . GLY A 1 91 ? 24.354 44.481 -12.861 1.00 33.15 ? 91 GLY A CA 1 ATOM 755 C C . GLY A 1 91 ? 25.358 45.000 -11.843 1.00 32.40 ? 91 GLY A C 1 ATOM 756 O O . GLY A 1 91 ? 25.581 46.205 -11.732 1.00 31.28 ? 91 GLY A O 1 ATOM 757 N N . SER A 1 92 ? 25.960 44.085 -11.089 1.00 30.45 ? 92 SER A N 1 ATOM 758 C CA . SER A 1 92 ? 26.962 44.447 -10.090 1.00 30.04 ? 92 SER A CA 1 ATOM 759 C C . SER A 1 92 ? 28.332 44.522 -10.771 1.00 28.35 ? 92 SER A C 1 ATOM 760 O O . SER A 1 92 ? 28.674 43.651 -11.570 1.00 27.17 ? 92 SER A O 1 ATOM 761 C CB . SER A 1 92 ? 27.001 43.395 -8.974 1.00 30.32 ? 92 SER A CB 1 ATOM 762 O OG . SER A 1 92 ? 28.050 43.665 -8.053 1.00 30.62 ? 92 SER A OG 1 ATOM 763 N N . HIS A 1 93 ? 29.108 45.561 -10.469 1.00 25.00 ? 93 HIS A N 1 ATOM 764 C CA . HIS A 1 93 ? 30.435 45.711 -11.066 1.00 24.75 ? 93 HIS A CA 1 ATOM 765 C C . HIS A 1 93 ? 31.464 46.095 -10.011 1.00 24.49 ? 93 HIS A C 1 ATOM 766 O O . HIS A 1 93 ? 31.108 46.616 -8.960 1.00 22.92 ? 93 HIS A O 1 ATOM 767 C CB . HIS A 1 93 ? 30.394 46.754 -12.180 1.00 24.80 ? 93 HIS A CB 1 ATOM 768 C CG . HIS A 1 93 ? 29.577 46.332 -13.359 1.00 27.16 ? 93 HIS A CG 1 ATOM 769 N ND1 . HIS A 1 93 ? 30.061 45.487 -14.334 1.00 27.11 ? 93 HIS A ND1 1 ATOM 770 C CD2 . HIS A 1 93 ? 28.292 46.598 -13.693 1.00 26.26 ? 93 HIS A CD2 1 ATOM 771 C CE1 . HIS A 1 93 ? 29.108 45.250 -15.219 1.00 28.55 ? 93 HIS A CE1 1 ATOM 772 N NE2 . HIS A 1 93 ? 28.025 45.912 -14.853 1.00 27.02 ? 93 HIS A NE2 1 ATOM 773 N N . THR A 1 94 ? 32.740 45.852 -10.302 1.00 24.22 ? 94 THR A N 1 ATOM 774 C CA . THR A 1 94 ? 33.800 46.136 -9.337 1.00 24.28 ? 94 THR A CA 1 ATOM 775 C C . THR A 1 94 ? 34.969 46.966 -9.843 1.00 21.89 ? 94 THR A C 1 ATOM 776 O O . THR A 1 94 ? 35.491 46.736 -10.933 1.00 22.24 ? 94 THR A O 1 ATOM 777 C CB . THR A 1 94 ? 34.409 44.821 -8.782 1.00 24.59 ? 94 THR A CB 1 ATOM 778 O OG1 . THR A 1 94 ? 33.370 43.998 -8.242 1.00 26.96 ? 94 THR A OG1 1 ATOM 779 C CG2 . THR A 1 94 ? 35.429 45.123 -7.688 1.00 24.59 ? 94 THR A CG2 1 ATOM 780 N N . ILE A 1 95 ? 35.374 47.936 -9.036 1.00 20.70 ? 95 ILE A N 1 ATOM 781 C CA . ILE A 1 95 ? 36.533 48.759 -9.354 1.00 19.91 ? 95 ILE A CA 1 ATOM 782 C C . ILE A 1 95 ? 37.547 48.448 -8.257 1.00 19.33 ? 95 ILE A C 1 ATOM 783 O O . ILE A 1 95 ? 37.198 48.421 -7.078 1.00 19.34 ? 95 ILE A O 1 ATOM 784 C CB . ILE A 1 95 ? 36.223 50.269 -9.318 1.00 19.39 ? 95 ILE A CB 1 ATOM 785 C CG1 . ILE A 1 95 ? 35.326 50.649 -10.501 1.00 21.24 ? 95 ILE A CG1 1 ATOM 786 C CG2 . ILE A 1 95 ? 37.542 51.072 -9.371 1.00 16.45 ? 95 ILE A CG2 1 ATOM 787 C CD1 . ILE A 1 95 ? 34.937 52.133 -10.526 1.00 21.23 ? 95 ILE A CD1 1 ATOM 788 N N . GLN A 1 96 ? 38.788 48.182 -8.645 1.00 19.49 ? 96 GLN A N 1 ATOM 789 C CA . GLN A 1 96 ? 39.836 47.880 -7.678 1.00 19.94 ? 96 GLN A CA 1 ATOM 790 C C . GLN A 1 96 ? 41.022 48.783 -7.935 1.00 19.64 ? 96 GLN A C 1 ATOM 791 O O . GLN A 1 96 ? 41.332 49.091 -9.083 1.00 19.42 ? 96 GLN A O 1 ATOM 792 C CB . GLN A 1 96 ? 40.301 46.429 -7.812 1.00 20.33 ? 96 GLN A CB 1 ATOM 793 C CG . GLN A 1 96 ? 39.407 45.412 -7.149 1.00 21.92 ? 96 GLN A CG 1 ATOM 794 C CD . GLN A 1 96 ? 39.640 44.031 -7.705 1.00 23.41 ? 96 GLN A CD 1 ATOM 795 O OE1 . GLN A 1 96 ? 39.132 43.693 -8.770 1.00 23.64 ? 96 GLN A OE1 1 ATOM 796 N NE2 . GLN A 1 96 ? 40.429 43.230 -7.000 1.00 19.51 ? 96 GLN A NE2 1 ATOM 797 N N . VAL A 1 97 ? 41.689 49.201 -6.869 1.00 16.55 ? 97 VAL A N 1 ATOM 798 C CA . VAL A 1 97 ? 42.855 50.049 -7.015 1.00 18.33 ? 97 VAL A CA 1 ATOM 799 C C . VAL A 1 97 ? 43.943 49.652 -6.027 1.00 20.02 ? 97 VAL A C 1 ATOM 800 O O . VAL A 1 97 ? 43.659 49.373 -4.861 1.00 18.58 ? 97 VAL A O 1 ATOM 801 C CB . VAL A 1 97 ? 42.533 51.534 -6.731 1.00 20.93 ? 97 VAL A CB 1 ATOM 802 C CG1 . VAL A 1 97 ? 43.657 52.407 -7.280 1.00 19.90 ? 97 VAL A CG1 1 ATOM 803 C CG2 . VAL A 1 97 ? 41.179 51.923 -7.316 1.00 21.94 ? 97 VAL A CG2 1 ATOM 804 N N . ILE A 1 98 ? 45.183 49.600 -6.503 1.00 20.66 ? 98 ILE A N 1 ATOM 805 C CA . ILE A 1 98 ? 46.316 49.333 -5.623 1.00 21.73 ? 98 ILE A CA 1 ATOM 806 C C . ILE A 1 98 ? 47.174 50.568 -5.790 1.00 22.01 ? 98 ILE A C 1 ATOM 807 O O . ILE A 1 98 ? 47.573 50.912 -6.907 1.00 22.14 ? 98 ILE A O 1 ATOM 808 C CB . ILE A 1 98 ? 47.130 48.092 -6.016 1.00 24.19 ? 98 ILE A CB 1 ATOM 809 C CG1 . ILE A 1 98 ? 46.308 46.832 -5.766 1.00 25.06 ? 98 ILE A CG1 1 ATOM 810 C CG2 . ILE A 1 98 ? 48.405 48.034 -5.173 1.00 25.19 ? 98 ILE A CG2 1 ATOM 811 C CD1 . ILE A 1 98 ? 47.097 45.539 -5.925 1.00 31.78 ? 98 ILE A CD1 1 ATOM 812 N N . SER A 1 99 ? 47.430 51.243 -4.676 1.00 20.90 ? 99 SER A N 1 ATOM 813 C CA . SER A 1 99 ? 48.197 52.475 -4.674 1.00 22.71 ? 99 SER A CA 1 ATOM 814 C C . SER A 1 99 ? 49.241 52.461 -3.570 1.00 23.74 ? 99 SER A C 1 ATOM 815 O O . SER A 1 99 ? 48.984 51.970 -2.472 1.00 22.86 ? 99 SER A O 1 ATOM 816 C CB . SER A 1 99 ? 47.244 53.664 -4.477 1.00 22.88 ? 99 SER A CB 1 ATOM 817 O OG . SER A 1 99 ? 47.961 54.879 -4.329 1.00 30.81 ? 99 SER A OG 1 ATOM 818 N N . GLY A 1 100 ? 50.425 52.990 -3.861 1.00 23.92 ? 100 GLY A N 1 ATOM 819 C CA . GLY A 1 100 ? 51.455 53.012 -2.843 1.00 22.63 ? 100 GLY A CA 1 ATOM 820 C C . GLY A 1 100 ? 52.862 53.285 -3.321 1.00 22.87 ? 100 GLY A C 1 ATOM 821 O O . GLY A 1 100 ? 53.108 53.534 -4.503 1.00 20.25 ? 100 GLY A O 1 ATOM 822 N N . CYS A 1 101 ? 53.798 53.218 -2.381 1.00 22.02 ? 101 CYS A N 1 ATOM 823 C CA . CYS A 1 101 ? 55.195 53.472 -2.674 1.00 22.16 ? 101 CYS A CA 1 ATOM 824 C C . CYS A 1 101 ? 56.086 52.484 -1.933 1.00 22.41 ? 101 CYS A C 1 ATOM 825 O O . CYS A 1 101 ? 55.661 51.837 -0.974 1.00 21.67 ? 101 CYS A O 1 ATOM 826 C CB . CYS A 1 101 ? 55.553 54.907 -2.273 1.00 20.95 ? 101 CYS A CB 1 ATOM 827 S SG . CYS A 1 101 ? 55.098 55.324 -0.556 1.00 25.41 ? 101 CYS A SG 1 ATOM 828 N N . GLU A 1 102 ? 57.334 52.400 -2.368 1.00 22.48 ? 102 GLU A N 1 ATOM 829 C CA . GLU A 1 102 ? 58.297 51.488 -1.776 1.00 25.51 ? 102 GLU A CA 1 ATOM 830 C C . GLU A 1 102 ? 59.600 52.254 -1.559 1.00 25.35 ? 102 GLU A C 1 ATOM 831 O O . GLU A 1 102 ? 60.036 52.998 -2.444 1.00 25.21 ? 102 GLU A O 1 ATOM 832 C CB . GLU A 1 102 ? 58.517 50.338 -2.752 1.00 30.31 ? 102 GLU A CB 1 ATOM 833 C CG . GLU A 1 102 ? 59.153 49.090 -2.207 1.00 38.31 ? 102 GLU A CG 1 ATOM 834 C CD . GLU A 1 102 ? 59.322 48.048 -3.305 1.00 43.04 ? 102 GLU A CD 1 ATOM 835 O OE1 . GLU A 1 102 ? 60.360 48.073 -4.004 1.00 45.54 ? 102 GLU A OE1 1 ATOM 836 O OE2 . GLU A 1 102 ? 58.401 47.222 -3.487 1.00 45.90 ? 102 GLU A OE2 1 ATOM 837 N N . VAL A 1 103 ? 60.211 52.091 -0.386 1.00 22.90 ? 103 VAL A N 1 ATOM 838 C CA . VAL A 1 103 ? 61.473 52.766 -0.094 1.00 22.44 ? 103 VAL A CA 1 ATOM 839 C C . VAL A 1 103 ? 62.562 51.770 0.288 1.00 24.47 ? 103 VAL A C 1 ATOM 840 O O . VAL A 1 103 ? 62.280 50.653 0.734 1.00 23.28 ? 103 VAL A O 1 ATOM 841 C CB . VAL A 1 103 ? 61.345 53.776 1.075 1.00 20.47 ? 103 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 103 ? 60.370 54.898 0.707 1.00 14.85 ? 103 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 103 ? 60.901 53.045 2.342 1.00 20.06 ? 103 VAL A CG2 1 ATOM 844 N N . GLY A 1 104 ? 63.812 52.192 0.123 1.00 24.13 ? 104 GLY A N 1 ATOM 845 C CA . GLY A 1 104 ? 64.926 51.337 0.483 1.00 25.03 ? 104 GLY A CA 1 ATOM 846 C C . GLY A 1 104 ? 65.241 51.474 1.960 1.00 25.86 ? 104 GLY A C 1 ATOM 847 O O . GLY A 1 104 ? 64.537 52.174 2.691 1.00 25.72 ? 104 GLY A O 1 ATOM 848 N N . SER A 1 105 ? 66.305 50.808 2.397 1.00 26.11 ? 105 SER A N 1 ATOM 849 C CA . SER A 1 105 ? 66.743 50.845 3.790 1.00 27.68 ? 105 SER A CA 1 ATOM 850 C C . SER A 1 105 ? 67.075 52.264 4.248 1.00 27.32 ? 105 SER A C 1 ATOM 851 O O . SER A 1 105 ? 66.982 52.575 5.435 1.00 26.42 ? 105 SER A O 1 ATOM 852 C CB . SER A 1 105 ? 67.990 49.970 3.974 1.00 28.18 ? 105 SER A CB 1 ATOM 853 O OG . SER A 1 105 ? 67.733 48.630 3.614 1.00 32.37 ? 105 SER A OG 1 ATOM 854 N N . ASP A 1 106 ? 67.479 53.117 3.311 1.00 27.49 ? 106 ASP A N 1 ATOM 855 C CA . ASP A 1 106 ? 67.831 54.492 3.652 1.00 27.77 ? 106 ASP A CA 1 ATOM 856 C C . ASP A 1 106 ? 66.641 55.448 3.612 1.00 26.73 ? 106 ASP A C 1 ATOM 857 O O . ASP A 1 106 ? 66.799 56.660 3.798 1.00 24.83 ? 106 ASP A O 1 ATOM 858 C CB . ASP A 1 106 ? 68.942 54.997 2.729 1.00 30.17 ? 106 ASP A CB 1 ATOM 859 C CG . ASP A 1 106 ? 68.570 54.921 1.260 1.00 33.10 ? 106 ASP A CG 1 ATOM 860 O OD1 . ASP A 1 106 ? 67.464 54.419 0.941 1.00 33.24 ? 106 ASP A OD1 1 ATOM 861 O OD2 . ASP A 1 106 ? 69.392 55.366 0.426 1.00 31.56 ? 106 ASP A OD2 1 ATOM 862 N N . GLY A 1 107 ? 65.454 54.900 3.366 1.00 25.68 ? 107 GLY A N 1 ATOM 863 C CA . GLY A 1 107 ? 64.251 55.717 3.328 1.00 24.28 ? 107 GLY A CA 1 ATOM 864 C C . GLY A 1 107 ? 63.962 56.442 2.025 1.00 24.01 ? 107 GLY A C 1 ATOM 865 O O . GLY A 1 107 ? 63.017 57.229 1.950 1.00 23.09 ? 107 GLY A O 1 ATOM 866 N N . ARG A 1 108 ? 64.761 56.193 0.995 1.00 25.51 ? 108 ARG A N 1 ATOM 867 C CA . ARG A 1 108 ? 64.537 56.852 -0.287 1.00 28.34 ? 108 ARG A CA 1 ATOM 868 C C . ARG A 1 108 ? 63.643 56.017 -1.199 1.00 28.08 ? 108 ARG A C 1 ATOM 869 O O . ARG A 1 108 ? 63.652 54.787 -1.140 1.00 29.25 ? 108 ARG A O 1 ATOM 870 C CB . ARG A 1 108 ? 65.869 57.146 -0.980 1.00 29.02 ? 108 ARG A CB 1 ATOM 871 C CG . ARG A 1 108 ? 66.836 57.952 -0.122 1.00 32.29 ? 108 ARG A CG 1 ATOM 872 C CD . ARG A 1 108 ? 67.795 58.771 -0.980 1.00 33.73 ? 108 ARG A CD 1 ATOM 873 N NE . ARG A 1 108 ? 67.130 59.952 -1.533 1.00 38.37 ? 108 ARG A NE 1 ATOM 874 C CZ . ARG A 1 108 ? 67.699 60.821 -2.365 1.00 39.23 ? 108 ARG A CZ 1 ATOM 875 N NH1 . ARG A 1 108 ? 67.008 61.867 -2.807 1.00 39.78 ? 108 ARG A NH1 1 ATOM 876 N NH2 . ARG A 1 108 ? 68.949 60.640 -2.766 1.00 37.59 ? 108 ARG A NH2 1 ATOM 877 N N . LEU A 1 109 ? 62.878 56.702 -2.042 1.00 27.53 ? 109 LEU A N 1 ATOM 878 C CA . LEU A 1 109 ? 61.947 56.067 -2.970 1.00 26.97 ? 109 LEU A CA 1 ATOM 879 C C . LEU A 1 109 ? 62.579 55.062 -3.920 1.00 26.55 ? 109 LEU A C 1 ATOM 880 O O . LEU A 1 109 ? 63.532 55.384 -4.625 1.00 28.07 ? 109 LEU A O 1 ATOM 881 C CB . LEU A 1 109 ? 61.233 57.134 -3.807 1.00 25.74 ? 109 LEU A CB 1 ATOM 882 C CG . LEU A 1 109 ? 60.185 56.636 -4.815 1.00 27.87 ? 109 LEU A CG 1 ATOM 883 C CD1 . LEU A 1 109 ? 58.990 56.043 -4.077 1.00 27.58 ? 109 LEU A CD1 1 ATOM 884 C CD2 . LEU A 1 109 ? 59.727 57.797 -5.689 1.00 28.78 ? 109 LEU A CD2 1 ATOM 885 N N . LEU A 1 110 ? 62.038 53.847 -3.931 1.00 26.14 ? 110 LEU A N 1 ATOM 886 C CA . LEU A 1 110 ? 62.499 52.791 -4.830 1.00 26.10 ? 110 LEU A CA 1 ATOM 887 C C . LEU A 1 110 ? 61.523 52.728 -5.997 1.00 27.05 ? 110 LEU A C 1 ATOM 888 O O . LEU A 1 110 ? 61.913 52.487 -7.139 1.00 26.48 ? 110 LEU A O 1 ATOM 889 C CB . LEU A 1 110 ? 62.534 51.434 -4.124 1.00 26.82 ? 110 LEU A CB 1 ATOM 890 C CG . LEU A 1 110 ? 63.758 51.155 -3.250 1.00 28.47 ? 110 LEU A CG 1 ATOM 891 C CD1 . LEU A 1 110 ? 63.694 49.718 -2.746 1.00 28.52 ? 110 LEU A CD1 1 ATOM 892 C CD2 . LEU A 1 110 ? 65.032 51.380 -4.057 1.00 28.99 ? 110 LEU A CD2 1 ATOM 893 N N . ARG A 1 111 ? 60.242 52.937 -5.703 1.00 26.84 ? 111 ARG A N 1 ATOM 894 C CA . ARG A 1 111 ? 59.229 52.934 -6.749 1.00 27.59 ? 111 ARG A CA 1 ATOM 895 C C . ARG A 1 111 ? 57.839 53.259 -6.235 1.00 26.70 ? 111 ARG A C 1 ATOM 896 O O . ARG A 1 111 ? 57.529 53.080 -5.053 1.00 24.33 ? 111 ARG A O 1 ATOM 897 C CB . ARG A 1 111 ? 59.218 51.591 -7.480 1.00 32.32 ? 111 ARG A CB 1 ATOM 898 C CG . ARG A 1 111 ? 58.544 50.463 -6.747 1.00 35.54 ? 111 ARG A CG 1 ATOM 899 C CD . ARG A 1 111 ? 58.923 49.144 -7.391 1.00 42.47 ? 111 ARG A CD 1 ATOM 900 N NE . ARG A 1 111 ? 57.797 48.219 -7.432 1.00 48.89 ? 111 ARG A NE 1 ATOM 901 C CZ . ARG A 1 111 ? 56.768 48.336 -8.264 1.00 51.68 ? 111 ARG A CZ 1 ATOM 902 N NH1 . ARG A 1 111 ? 56.725 49.341 -9.131 1.00 53.13 ? 111 ARG A NH1 1 ATOM 903 N NH2 . ARG A 1 111 ? 55.778 47.454 -8.225 1.00 53.16 ? 111 ARG A NH2 1 ATOM 904 N N . GLY A 1 112 ? 57.011 53.763 -7.141 1.00 24.33 ? 112 GLY A N 1 ATOM 905 C CA . GLY A 1 112 ? 55.650 54.111 -6.792 1.00 25.46 ? 112 GLY A CA 1 ATOM 906 C C . GLY A 1 112 ? 54.717 53.416 -7.757 1.00 26.18 ? 112 GLY A C 1 ATOM 907 O O . GLY A 1 112 ? 55.142 52.997 -8.830 1.00 26.25 ? 112 GLY A O 1 ATOM 908 N N . TYR A 1 113 ? 53.451 53.281 -7.397 1.00 25.59 ? 113 TYR A N 1 ATOM 909 C CA . TYR A 1 113 ? 52.529 52.621 -8.298 1.00 27.20 ? 113 TYR A CA 1 ATOM 910 C C . TYR A 1 113 ? 51.069 52.947 -8.018 1.00 26.57 ? 113 TYR A C 1 ATOM 911 O O . TYR A 1 113 ? 50.718 53.342 -6.904 1.00 25.11 ? 113 TYR A O 1 ATOM 912 C CB . TYR A 1 113 ? 52.732 51.102 -8.244 1.00 30.09 ? 113 TYR A CB 1 ATOM 913 C CG . TYR A 1 113 ? 53.012 50.566 -6.861 1.00 32.37 ? 113 TYR A CG 1 ATOM 914 C CD1 . TYR A 1 113 ? 52.025 50.555 -5.878 1.00 33.74 ? 113 TYR A CD1 1 ATOM 915 C CD2 . TYR A 1 113 ? 54.285 50.117 -6.521 1.00 34.36 ? 113 TYR A CD2 1 ATOM 916 C CE1 . TYR A 1 113 ? 52.303 50.109 -4.580 1.00 36.81 ? 113 TYR A CE1 1 ATOM 917 C CE2 . TYR A 1 113 ? 54.572 49.674 -5.240 1.00 36.66 ? 113 TYR A CE2 1 ATOM 918 C CZ . TYR A 1 113 ? 53.581 49.672 -4.274 1.00 37.75 ? 113 TYR A CZ 1 ATOM 919 O OH . TYR A 1 113 ? 53.863 49.228 -3.003 1.00 40.77 ? 113 TYR A OH 1 ATOM 920 N N . GLN A 1 114 ? 50.233 52.772 -9.038 1.00 26.04 ? 114 GLN A N 1 ATOM 921 C CA . GLN A 1 114 ? 48.806 53.035 -8.940 1.00 27.11 ? 114 GLN A CA 1 ATOM 922 C C . GLN A 1 114 ? 48.188 52.317 -10.115 1.00 25.94 ? 114 GLN A C 1 ATOM 923 O O . GLN A 1 114 ? 48.406 52.687 -11.263 1.00 26.95 ? 114 GLN A O 1 ATOM 924 C CB . GLN A 1 114 ? 48.522 54.536 -9.032 1.00 28.62 ? 114 GLN A CB 1 ATOM 925 C CG . GLN A 1 114 ? 47.044 54.870 -9.174 1.00 32.99 ? 114 GLN A CG 1 ATOM 926 C CD . GLN A 1 114 ? 46.627 56.050 -8.321 1.00 34.60 ? 114 GLN A CD 1 ATOM 927 O OE1 . GLN A 1 114 ? 46.802 56.049 -7.102 1.00 37.15 ? 114 GLN A OE1 1 ATOM 928 N NE2 . GLN A 1 114 ? 46.061 57.057 -8.955 1.00 37.38 ? 114 GLN A NE2 1 ATOM 929 N N . GLN A 1 115 ? 47.454 51.256 -9.820 1.00 25.87 ? 115 GLN A N 1 ATOM 930 C CA . GLN A 1 115 ? 46.841 50.459 -10.859 1.00 27.58 ? 115 GLN A CA 1 ATOM 931 C C . GLN A 1 115 ? 45.368 50.179 -10.587 1.00 25.27 ? 115 GLN A C 1 ATOM 932 O O . GLN A 1 115 ? 44.964 49.862 -9.466 1.00 23.15 ? 115 GLN A O 1 ATOM 933 C CB . GLN A 1 115 ? 47.626 49.154 -11.014 1.00 31.54 ? 115 GLN A CB 1 ATOM 934 C CG . GLN A 1 115 ? 49.120 49.414 -11.244 1.00 39.99 ? 115 GLN A CG 1 ATOM 935 C CD . GLN A 1 115 ? 49.961 48.156 -11.258 1.00 43.43 ? 115 GLN A CD 1 ATOM 936 O OE1 . GLN A 1 115 ? 51.191 48.228 -11.281 1.00 45.69 ? 115 GLN A OE1 1 ATOM 937 N NE2 . GLN A 1 115 ? 49.306 46.994 -11.250 1.00 45.46 ? 115 GLN A NE2 1 ATOM 938 N N . TYR A 1 116 ? 44.567 50.315 -11.635 1.00 23.25 ? 116 TYR A N 1 ATOM 939 C CA . TYR A 1 116 ? 43.129 50.091 -11.547 1.00 22.12 ? 116 TYR A CA 1 ATOM 940 C C . TYR A 1 116 ? 42.709 48.870 -12.346 1.00 21.64 ? 116 TYR A C 1 ATOM 941 O O . TYR A 1 116 ? 43.342 48.511 -13.336 1.00 21.74 ? 116 TYR A O 1 ATOM 942 C CB . TYR A 1 116 ? 42.353 51.269 -12.135 1.00 23.30 ? 116 TYR A CB 1 ATOM 943 C CG . TYR A 1 116 ? 42.297 52.536 -11.320 1.00 25.95 ? 116 TYR A CG 1 ATOM 944 C CD1 . TYR A 1 116 ? 43.418 53.353 -11.168 1.00 25.14 ? 116 TYR A CD1 1 ATOM 945 C CD2 . TYR A 1 116 ? 41.091 52.959 -10.760 1.00 27.22 ? 116 TYR A CD2 1 ATOM 946 C CE1 . TYR A 1 116 ? 43.332 54.570 -10.481 1.00 25.99 ? 116 TYR A CE1 1 ATOM 947 C CE2 . TYR A 1 116 ? 40.998 54.164 -10.080 1.00 29.10 ? 116 TYR A CE2 1 ATOM 948 C CZ . TYR A 1 116 ? 42.116 54.964 -9.946 1.00 28.38 ? 116 TYR A CZ 1 ATOM 949 O OH . TYR A 1 116 ? 41.986 56.174 -9.299 1.00 33.45 ? 116 TYR A OH 1 ATOM 950 N N . ALA A 1 117 ? 41.610 48.263 -11.919 1.00 19.55 ? 117 ALA A N 1 ATOM 951 C CA . ALA A 1 117 ? 41.029 47.125 -12.607 1.00 20.34 ? 117 ALA A CA 1 ATOM 952 C C . ALA A 1 117 ? 39.523 47.348 -12.556 1.00 21.22 ? 117 ALA A C 1 ATOM 953 O O . ALA A 1 117 ? 39.019 48.011 -11.648 1.00 19.24 ? 117 ALA A O 1 ATOM 954 C CB . ALA A 1 117 ? 41.392 45.817 -11.904 1.00 17.88 ? 117 ALA A CB 1 ATOM 955 N N . TYR A 1 118 ? 38.816 46.816 -13.544 1.00 22.13 ? 118 TYR A N 1 ATOM 956 C CA . TYR A 1 118 ? 37.361 46.921 -13.606 1.00 23.10 ? 118 TYR A CA 1 ATOM 957 C C . TYR A 1 118 ? 36.886 45.499 -13.846 1.00 23.24 ? 118 TYR A C 1 ATOM 958 O O . TYR A 1 118 ? 37.281 44.867 -14.823 1.00 23.13 ? 118 TYR A O 1 ATOM 959 C CB . TYR A 1 118 ? 36.912 47.827 -14.757 1.00 20.27 ? 118 TYR A CB 1 ATOM 960 C CG . TYR A 1 118 ? 35.403 47.978 -14.851 1.00 23.36 ? 118 TYR A CG 1 ATOM 961 C CD1 . TYR A 1 118 ? 34.649 48.344 -13.736 1.00 22.83 ? 118 TYR A CD1 1 ATOM 962 C CD2 . TYR A 1 118 ? 34.732 47.769 -16.056 1.00 24.56 ? 118 TYR A CD2 1 ATOM 963 C CE1 . TYR A 1 118 ? 33.259 48.503 -13.817 1.00 23.16 ? 118 TYR A CE1 1 ATOM 964 C CE2 . TYR A 1 118 ? 33.339 47.927 -16.148 1.00 25.33 ? 118 TYR A CE2 1 ATOM 965 C CZ . TYR A 1 118 ? 32.614 48.295 -15.022 1.00 24.30 ? 118 TYR A CZ 1 ATOM 966 O OH . TYR A 1 118 ? 31.247 48.460 -15.101 1.00 23.58 ? 118 TYR A OH 1 ATOM 967 N N . ASP A 1 119 ? 36.044 45.007 -12.946 1.00 24.48 ? 119 ASP A N 1 ATOM 968 C CA . ASP A 1 119 ? 35.531 43.641 -13.009 1.00 25.20 ? 119 ASP A CA 1 ATOM 969 C C . ASP A 1 119 ? 36.646 42.610 -13.135 1.00 26.12 ? 119 ASP A C 1 ATOM 970 O O . ASP A 1 119 ? 36.552 41.672 -13.921 1.00 27.03 ? 119 ASP A O 1 ATOM 971 C CB . ASP A 1 119 ? 34.535 43.474 -14.161 1.00 25.53 ? 119 ASP A CB 1 ATOM 972 C CG . ASP A 1 119 ? 33.243 44.247 -13.929 1.00 26.84 ? 119 ASP A CG 1 ATOM 973 O OD1 . ASP A 1 119 ? 32.882 44.468 -12.756 1.00 24.75 ? 119 ASP A OD1 1 ATOM 974 O OD2 . ASP A 1 119 ? 32.583 44.621 -14.918 1.00 31.40 ? 119 ASP A OD2 1 ATOM 975 N N . GLY A 1 120 ? 37.711 42.801 -12.362 1.00 25.96 ? 120 GLY A N 1 ATOM 976 C CA . GLY A 1 120 ? 38.814 41.854 -12.363 1.00 24.57 ? 120 GLY A CA 1 ATOM 977 C C . GLY A 1 120 ? 39.814 41.892 -13.498 1.00 25.05 ? 120 GLY A C 1 ATOM 978 O O . GLY A 1 120 ? 40.648 40.997 -13.602 1.00 24.21 ? 120 GLY A O 1 ATOM 979 N N . CYS A 1 121 ? 39.749 42.910 -14.348 1.00 24.44 ? 121 CYS A N 1 ATOM 980 C CA . CYS A 1 121 ? 40.687 43.008 -15.457 1.00 25.27 ? 121 CYS A CA 1 ATOM 981 C C . CYS A 1 121 ? 41.414 44.346 -15.451 1.00 23.91 ? 121 CYS A C 1 ATOM 982 O O . CYS A 1 121 ? 40.834 45.376 -15.097 1.00 22.08 ? 121 CYS A O 1 ATOM 983 C CB . CYS A 1 121 ? 39.955 42.835 -16.794 1.00 26.74 ? 121 CYS A CB 1 ATOM 984 S SG . CYS A 1 121 ? 39.182 41.210 -17.016 1.00 35.81 ? 121 CYS A SG 1 ATOM 985 N N . ASP A 1 122 ? 42.684 44.319 -15.847 1.00 22.88 ? 122 ASP A N 1 ATOM 986 C CA . ASP A 1 122 ? 43.496 45.523 -15.919 1.00 23.57 ? 122 ASP A CA 1 ATOM 987 C C . ASP A 1 122 ? 42.698 46.622 -16.606 1.00 22.80 ? 122 ASP A C 1 ATOM 988 O O . ASP A 1 122 ? 42.023 46.379 -17.609 1.00 19.63 ? 122 ASP A O 1 ATOM 989 C CB . ASP A 1 122 ? 44.768 45.273 -16.740 1.00 26.82 ? 122 ASP A CB 1 ATOM 990 C CG . ASP A 1 122 ? 45.820 44.474 -15.984 1.00 30.09 ? 122 ASP A CG 1 ATOM 991 O OD1 . ASP A 1 122 ? 45.580 44.107 -14.818 1.00 30.97 ? 122 ASP A OD1 1 ATOM 992 O OD2 . ASP A 1 122 ? 46.898 44.220 -16.568 1.00 33.21 ? 122 ASP A OD2 1 ATOM 993 N N . TYR A 1 123 ? 42.766 47.827 -16.058 1.00 22.23 ? 123 TYR A N 1 ATOM 994 C CA . TYR A 1 123 ? 42.079 48.959 -16.654 1.00 21.35 ? 123 TYR A CA 1 ATOM 995 C C . TYR A 1 123 ? 43.147 49.975 -17.050 1.00 21.98 ? 123 TYR A C 1 ATOM 996 O O . TYR A 1 123 ? 43.462 50.137 -18.231 1.00 23.16 ? 123 TYR A O 1 ATOM 997 C CB . TYR A 1 123 ? 41.097 49.585 -15.662 1.00 20.48 ? 123 TYR A CB 1 ATOM 998 C CG . TYR A 1 123 ? 40.262 50.696 -16.265 1.00 19.09 ? 123 TYR A CG 1 ATOM 999 C CD1 . TYR A 1 123 ? 39.204 50.411 -17.138 1.00 17.55 ? 123 TYR A CD1 1 ATOM 1000 C CD2 . TYR A 1 123 ? 40.551 52.035 -15.994 1.00 17.17 ? 123 TYR A CD2 1 ATOM 1001 C CE1 . TYR A 1 123 ? 38.457 51.431 -17.726 1.00 17.62 ? 123 TYR A CE1 1 ATOM 1002 C CE2 . TYR A 1 123 ? 39.817 53.062 -16.578 1.00 15.76 ? 123 TYR A CE2 1 ATOM 1003 C CZ . TYR A 1 123 ? 38.773 52.756 -17.441 1.00 17.70 ? 123 TYR A CZ 1 ATOM 1004 O OH . TYR A 1 123 ? 38.051 53.775 -18.018 1.00 18.27 ? 123 TYR A OH 1 ATOM 1005 N N . ILE A 1 124 ? 43.712 50.658 -16.063 1.00 22.60 ? 124 ILE A N 1 ATOM 1006 C CA . ILE A 1 124 ? 44.757 51.639 -16.337 1.00 20.50 ? 124 ILE A CA 1 ATOM 1007 C C . ILE A 1 124 ? 45.793 51.562 -15.229 1.00 21.68 ? 124 ILE A C 1 ATOM 1008 O O . ILE A 1 124 ? 45.478 51.184 -14.099 1.00 20.25 ? 124 ILE A O 1 ATOM 1009 C CB . ILE A 1 124 ? 44.178 53.079 -16.425 1.00 20.42 ? 124 ILE A CB 1 ATOM 1010 C CG1 . ILE A 1 124 ? 45.235 54.037 -16.977 1.00 18.85 ? 124 ILE A CG1 1 ATOM 1011 C CG2 . ILE A 1 124 ? 43.731 53.561 -15.048 1.00 20.08 ? 124 ILE A CG2 1 ATOM 1012 C CD1 . ILE A 1 124 ? 44.650 55.351 -17.492 1.00 18.07 ? 124 ILE A CD1 1 ATOM 1013 N N . ALA A 1 125 ? 47.032 51.909 -15.556 1.00 22.50 ? 125 ALA A N 1 ATOM 1014 C CA . ALA A 1 125 ? 48.105 51.871 -14.578 1.00 22.81 ? 125 ALA A CA 1 ATOM 1015 C C . ALA A 1 125 ? 49.162 52.919 -14.864 1.00 23.44 ? 125 ALA A C 1 ATOM 1016 O O . ALA A 1 125 ? 49.434 53.246 -16.022 1.00 20.54 ? 125 ALA A O 1 ATOM 1017 C CB . ALA A 1 125 ? 48.750 50.497 -14.575 1.00 24.46 ? 125 ALA A CB 1 ATOM 1018 N N . LEU A 1 126 ? 49.758 53.441 -13.800 1.00 22.45 ? 126 LEU A N 1 ATOM 1019 C CA . LEU A 1 126 ? 50.826 54.417 -13.936 1.00 23.75 ? 126 LEU A CA 1 ATOM 1020 C C . LEU A 1 126 ? 52.085 53.621 -14.269 1.00 23.82 ? 126 LEU A C 1 ATOM 1021 O O . LEU A 1 126 ? 52.360 52.599 -13.639 1.00 23.36 ? 126 LEU A O 1 ATOM 1022 C CB . LEU A 1 126 ? 51.025 55.169 -12.624 1.00 22.75 ? 126 LEU A CB 1 ATOM 1023 C CG . LEU A 1 126 ? 52.069 56.283 -12.619 1.00 21.26 ? 126 LEU A CG 1 ATOM 1024 C CD1 . LEU A 1 126 ? 51.615 57.447 -13.487 1.00 21.35 ? 126 LEU A CD1 1 ATOM 1025 C CD2 . LEU A 1 126 ? 52.272 56.746 -11.191 1.00 23.85 ? 126 LEU A CD2 1 ATOM 1026 N N . ASN A 1 127 ? 52.835 54.063 -15.272 1.00 25.88 ? 127 ASN A N 1 ATOM 1027 C CA . ASN A 1 127 ? 54.061 53.371 -15.644 1.00 26.72 ? 127 ASN A CA 1 ATOM 1028 C C . ASN A 1 127 ? 55.146 53.636 -14.607 1.00 29.93 ? 127 ASN A C 1 ATOM 1029 O O . ASN A 1 127 ? 55.035 54.564 -13.809 1.00 29.30 ? 127 ASN A O 1 ATOM 1030 C CB . ASN A 1 127 ? 54.536 53.825 -17.021 1.00 25.66 ? 127 ASN A CB 1 ATOM 1031 C CG . ASN A 1 127 ? 53.654 53.304 -18.134 1.00 27.50 ? 127 ASN A CG 1 ATOM 1032 O OD1 . ASN A 1 127 ? 53.331 52.122 -18.167 1.00 26.05 ? 127 ASN A OD1 1 ATOM 1033 N ND2 . ASN A 1 127 ? 53.266 54.181 -19.053 1.00 25.95 ? 127 ASN A ND2 1 ATOM 1034 N N . GLU A 1 128 ? 56.187 52.809 -14.620 1.00 32.46 ? 128 GLU A N 1 ATOM 1035 C CA . GLU A 1 128 ? 57.294 52.940 -13.680 1.00 34.98 ? 128 GLU A CA 1 ATOM 1036 C C . GLU A 1 128 ? 57.928 54.327 -13.677 1.00 34.62 ? 128 GLU A C 1 ATOM 1037 O O . GLU A 1 128 ? 58.483 54.751 -12.666 1.00 34.88 ? 128 GLU A O 1 ATOM 1038 C CB . GLU A 1 128 ? 58.363 51.889 -13.986 1.00 38.87 ? 128 GLU A CB 1 ATOM 1039 C CG . GLU A 1 128 ? 58.305 50.648 -13.100 1.00 47.52 ? 128 GLU A CG 1 ATOM 1040 C CD . GLU A 1 128 ? 56.929 50.003 -13.059 1.00 53.40 ? 128 GLU A CD 1 ATOM 1041 O OE1 . GLU A 1 128 ? 56.409 49.640 -14.137 1.00 56.97 ? 128 GLU A OE1 1 ATOM 1042 O OE2 . GLU A 1 128 ? 56.369 49.854 -11.945 1.00 55.34 ? 128 GLU A OE2 1 ATOM 1043 N N . ASP A 1 129 ? 57.845 55.033 -14.802 1.00 33.41 ? 129 ASP A N 1 ATOM 1044 C CA . ASP A 1 129 ? 58.427 56.367 -14.908 1.00 33.81 ? 129 ASP A CA 1 ATOM 1045 C C . ASP A 1 129 ? 57.649 57.413 -14.106 1.00 32.88 ? 129 ASP A C 1 ATOM 1046 O O . ASP A 1 129 ? 58.127 58.533 -13.901 1.00 31.52 ? 129 ASP A O 1 ATOM 1047 C CB . ASP A 1 129 ? 58.500 56.806 -16.381 1.00 34.82 ? 129 ASP A CB 1 ATOM 1048 C CG . ASP A 1 129 ? 57.124 56.924 -17.033 1.00 37.49 ? 129 ASP A CG 1 ATOM 1049 O OD1 . ASP A 1 129 ? 56.117 57.028 -16.302 1.00 38.54 ? 129 ASP A OD1 1 ATOM 1050 O OD2 . ASP A 1 129 ? 57.047 56.928 -18.283 1.00 37.38 ? 129 ASP A OD2 1 ATOM 1051 N N . LEU A 1 130 ? 56.450 57.042 -13.663 1.00 31.39 ? 130 LEU A N 1 ATOM 1052 C CA . LEU A 1 130 ? 55.585 57.934 -12.898 1.00 31.31 ? 130 LEU A CA 1 ATOM 1053 C C . LEU A 1 130 ? 55.246 59.189 -13.705 1.00 31.83 ? 130 LEU A C 1 ATOM 1054 O O . LEU A 1 130 ? 54.972 60.257 -13.146 1.00 32.44 ? 130 LEU A O 1 ATOM 1055 C CB . LEU A 1 130 ? 56.254 58.320 -11.572 1.00 31.61 ? 130 LEU A CB 1 ATOM 1056 C CG . LEU A 1 130 ? 56.843 57.169 -10.735 1.00 31.60 ? 130 LEU A CG 1 ATOM 1057 C CD1 . LEU A 1 130 ? 57.333 57.722 -9.402 1.00 30.56 ? 130 LEU A CD1 1 ATOM 1058 C CD2 . LEU A 1 130 ? 55.798 56.082 -10.495 1.00 29.59 ? 130 LEU A CD2 1 ATOM 1059 N N . LYS A 1 131 ? 55.251 59.054 -15.027 1.00 30.96 ? 131 LYS A N 1 ATOM 1060 C CA . LYS A 1 131 ? 54.942 60.177 -15.907 1.00 31.88 ? 131 LYS A CA 1 ATOM 1061 C C . LYS A 1 131 ? 53.834 59.851 -16.902 1.00 30.08 ? 131 LYS A C 1 ATOM 1062 O O . LYS A 1 131 ? 53.091 60.737 -17.316 1.00 28.94 ? 131 LYS A O 1 ATOM 1063 C CB . LYS A 1 131 ? 56.191 60.608 -16.682 1.00 34.10 ? 131 LYS A CB 1 ATOM 1064 C CG . LYS A 1 131 ? 57.303 61.183 -15.825 1.00 37.17 ? 131 LYS A CG 1 ATOM 1065 C CD . LYS A 1 131 ? 58.525 61.494 -16.676 1.00 41.51 ? 131 LYS A CD 1 ATOM 1066 C CE . LYS A 1 131 ? 59.673 62.022 -15.832 1.00 44.24 ? 131 LYS A CE 1 ATOM 1067 N NZ . LYS A 1 131 ? 60.905 62.218 -16.646 1.00 47.73 ? 131 LYS A NZ 1 ATOM 1068 N N . THR A 1 132 ? 53.719 58.583 -17.283 1.00 28.54 ? 132 THR A N 1 ATOM 1069 C CA . THR A 1 132 ? 52.702 58.184 -18.245 1.00 28.89 ? 132 THR A CA 1 ATOM 1070 C C . THR A 1 132 ? 51.877 56.983 -17.794 1.00 28.42 ? 132 THR A C 1 ATOM 1071 O O . THR A 1 132 ? 52.262 56.242 -16.879 1.00 25.61 ? 132 THR A O 1 ATOM 1072 C CB . THR A 1 132 ? 53.336 57.858 -19.617 1.00 29.59 ? 132 THR A CB 1 ATOM 1073 O OG1 . THR A 1 132 ? 54.195 56.718 -19.494 1.00 32.33 ? 132 THR A OG1 1 ATOM 1074 C CG2 . THR A 1 132 ? 54.148 59.040 -20.118 1.00 29.86 ? 132 THR A CG2 1 ATOM 1075 N N . TRP A 1 133 ? 50.742 56.796 -18.459 1.00 26.37 ? 133 TRP A N 1 ATOM 1076 C CA . TRP A 1 133 ? 49.827 55.713 -18.144 1.00 26.32 ? 133 TRP A CA 1 ATOM 1077 C C . TRP A 1 133 ? 49.743 54.654 -19.235 1.00 26.43 ? 133 TRP A C 1 ATOM 1078 O O . TRP A 1 133 ? 50.049 54.914 -20.396 1.00 26.34 ? 133 TRP A O 1 ATOM 1079 C CB . TRP A 1 133 ? 48.421 56.263 -17.937 1.00 26.08 ? 133 TRP A CB 1 ATOM 1080 C CG . TRP A 1 133 ? 48.351 57.509 -17.121 1.00 27.57 ? 133 TRP A CG 1 ATOM 1081 C CD1 . TRP A 1 133 ? 48.477 58.797 -17.565 1.00 29.40 ? 133 TRP A CD1 1 ATOM 1082 C CD2 . TRP A 1 133 ? 48.124 57.589 -15.717 1.00 26.47 ? 133 TRP A CD2 1 ATOM 1083 N NE1 . TRP A 1 133 ? 48.337 59.676 -16.520 1.00 27.74 ? 133 TRP A NE1 1 ATOM 1084 C CE2 . TRP A 1 133 ? 48.121 58.962 -15.371 1.00 27.22 ? 133 TRP A CE2 1 ATOM 1085 C CE3 . TRP A 1 133 ? 47.921 56.636 -14.713 1.00 25.76 ? 133 TRP A CE3 1 ATOM 1086 C CZ2 . TRP A 1 133 ? 47.924 59.402 -14.066 1.00 25.68 ? 133 TRP A CZ2 1 ATOM 1087 C CZ3 . TRP A 1 133 ? 47.724 57.075 -13.413 1.00 27.01 ? 133 TRP A CZ3 1 ATOM 1088 C CH2 . TRP A 1 133 ? 47.727 58.447 -13.101 1.00 28.49 ? 133 TRP A CH2 1 ATOM 1089 N N . THR A 1 134 ? 49.309 53.461 -18.850 1.00 25.86 ? 134 THR A N 1 ATOM 1090 C CA . THR A 1 134 ? 49.117 52.375 -19.798 1.00 27.21 ? 134 THR A CA 1 ATOM 1091 C C . THR A 1 134 ? 47.668 51.951 -19.656 1.00 24.58 ? 134 THR A C 1 ATOM 1092 O O . THR A 1 134 ? 47.252 51.531 -18.575 1.00 23.95 ? 134 THR A O 1 ATOM 1093 C CB . THR A 1 134 ? 49.981 51.150 -19.489 1.00 28.61 ? 134 THR A CB 1 ATOM 1094 O OG1 . THR A 1 134 ? 51.357 51.528 -19.447 1.00 34.27 ? 134 THR A OG1 1 ATOM 1095 C CG2 . THR A 1 134 ? 49.793 50.110 -20.576 1.00 30.72 ? 134 THR A CG2 1 ATOM 1096 N N . ALA A 1 135 ? 46.909 52.059 -20.744 1.00 23.59 ? 135 ALA A N 1 ATOM 1097 C CA . ALA A 1 135 ? 45.493 51.700 -20.747 1.00 23.80 ? 135 ALA A CA 1 ATOM 1098 C C . ALA A 1 135 ? 45.310 50.333 -21.399 1.00 25.10 ? 135 ALA A C 1 ATOM 1099 O O . ALA A 1 135 ? 45.883 50.067 -22.456 1.00 26.14 ? 135 ALA A O 1 ATOM 1100 C CB . ALA A 1 135 ? 44.700 52.755 -21.497 1.00 23.58 ? 135 ALA A CB 1 ATOM 1101 N N . ALA A 1 136 ? 44.502 49.480 -20.774 1.00 23.77 ? 136 ALA A N 1 ATOM 1102 C CA . ALA A 1 136 ? 44.270 48.119 -21.270 1.00 25.10 ? 136 ALA A CA 1 ATOM 1103 C C . ALA A 1 136 ? 43.241 47.992 -22.386 1.00 24.84 ? 136 ALA A C 1 ATOM 1104 O O . ALA A 1 136 ? 43.222 46.988 -23.099 1.00 25.23 ? 136 ALA A O 1 ATOM 1105 C CB . ALA A 1 136 ? 43.877 47.205 -20.106 1.00 23.31 ? 136 ALA A CB 1 ATOM 1106 N N . ASP A 1 137 ? 42.374 48.992 -22.521 1.00 24.18 ? 137 ASP A N 1 ATOM 1107 C CA . ASP A 1 137 ? 41.350 48.982 -23.556 1.00 24.13 ? 137 ASP A CA 1 ATOM 1108 C C . ASP A 1 137 ? 40.931 50.408 -23.917 1.00 25.01 ? 137 ASP A C 1 ATOM 1109 O O . ASP A 1 137 ? 41.439 51.375 -23.352 1.00 24.26 ? 137 ASP A O 1 ATOM 1110 C CB . ASP A 1 137 ? 40.125 48.169 -23.110 1.00 25.06 ? 137 ASP A CB 1 ATOM 1111 C CG . ASP A 1 137 ? 39.485 48.703 -21.841 1.00 26.71 ? 137 ASP A CG 1 ATOM 1112 O OD1 . ASP A 1 137 ? 39.428 49.941 -21.666 1.00 26.83 ? 137 ASP A OD1 1 ATOM 1113 O OD2 . ASP A 1 137 ? 39.019 47.876 -21.024 1.00 27.54 ? 137 ASP A OD2 1 ATOM 1114 N N . MET A 1 138 ? 40.006 50.532 -24.860 1.00 25.55 ? 138 MET A N 1 ATOM 1115 C CA . MET A 1 138 ? 39.550 51.841 -25.311 1.00 27.84 ? 138 MET A CA 1 ATOM 1116 C C . MET A 1 138 ? 38.829 52.663 -24.253 1.00 26.35 ? 138 MET A C 1 ATOM 1117 O O . MET A 1 138 ? 38.845 53.894 -24.303 1.00 25.95 ? 138 MET A O 1 ATOM 1118 C CB . MET A 1 138 ? 38.680 51.687 -26.559 1.00 28.26 ? 138 MET A CB 1 ATOM 1119 C CG . MET A 1 138 ? 39.523 51.496 -27.817 1.00 35.19 ? 138 MET A CG 1 ATOM 1120 S SD . MET A 1 138 ? 38.599 50.893 -29.230 1.00 39.41 ? 138 MET A SD 1 ATOM 1121 C CE . MET A 1 138 ? 37.572 52.320 -29.580 1.00 42.31 ? 138 MET A CE 1 ATOM 1122 N N . ALA A 1 139 ? 38.195 51.992 -23.301 1.00 25.29 ? 139 ALA A N 1 ATOM 1123 C CA . ALA A 1 139 ? 37.509 52.705 -22.230 1.00 25.69 ? 139 ALA A CA 1 ATOM 1124 C C . ALA A 1 139 ? 38.585 53.400 -21.401 1.00 25.78 ? 139 ALA A C 1 ATOM 1125 O O . ALA A 1 139 ? 38.509 54.601 -21.153 1.00 26.88 ? 139 ALA A O 1 ATOM 1126 C CB . ALA A 1 139 ? 36.725 51.736 -21.365 1.00 22.39 ? 139 ALA A CB 1 ATOM 1127 N N . ALA A 1 140 ? 39.597 52.638 -20.995 1.00 24.66 ? 140 ALA A N 1 ATOM 1128 C CA . ALA A 1 140 ? 40.696 53.181 -20.202 1.00 23.56 ? 140 ALA A CA 1 ATOM 1129 C C . ALA A 1 140 ? 41.453 54.258 -20.974 1.00 22.72 ? 140 ALA A C 1 ATOM 1130 O O . ALA A 1 140 ? 42.051 55.154 -20.378 1.00 21.86 ? 140 ALA A O 1 ATOM 1131 C CB . ALA A 1 140 ? 41.648 52.061 -19.791 1.00 23.90 ? 140 ALA A CB 1 ATOM 1132 N N . LEU A 1 141 ? 41.435 54.172 -22.302 1.00 22.22 ? 141 LEU A N 1 ATOM 1133 C CA . LEU A 1 141 ? 42.117 55.176 -23.115 1.00 24.39 ? 141 LEU A CA 1 ATOM 1134 C C . LEU A 1 141 ? 41.442 56.545 -22.940 1.00 23.82 ? 141 LEU A C 1 ATOM 1135 O O . LEU A 1 141 ? 42.086 57.591 -23.056 1.00 24.55 ? 141 LEU A O 1 ATOM 1136 C CB . LEU A 1 141 ? 42.105 54.767 -24.593 1.00 23.94 ? 141 LEU A CB 1 ATOM 1137 C CG . LEU A 1 141 ? 42.843 55.702 -25.554 1.00 25.23 ? 141 LEU A CG 1 ATOM 1138 C CD1 . LEU A 1 141 ? 44.288 55.859 -25.117 1.00 24.50 ? 141 LEU A CD1 1 ATOM 1139 C CD2 . LEU A 1 141 ? 42.780 55.142 -26.966 1.00 26.46 ? 141 LEU A CD2 1 ATOM 1140 N N . ILE A 1 142 ? 40.142 56.530 -22.664 1.00 24.51 ? 142 ILE A N 1 ATOM 1141 C CA . ILE A 1 142 ? 39.391 57.769 -22.456 1.00 25.03 ? 142 ILE A CA 1 ATOM 1142 C C . ILE A 1 142 ? 39.857 58.392 -21.151 1.00 24.54 ? 142 ILE A C 1 ATOM 1143 O O . ILE A 1 142 ? 40.065 59.603 -21.067 1.00 25.09 ? 142 ILE A O 1 ATOM 1144 C CB . ILE A 1 142 ? 37.865 57.506 -22.354 1.00 26.05 ? 142 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 142 ? 37.349 56.926 -23.673 1.00 26.50 ? 142 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 142 ? 37.124 58.807 -22.003 1.00 23.45 ? 142 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 142 ? 35.851 56.650 -23.674 1.00 25.18 ? 142 ILE A CD1 1 ATOM 1148 N N . THR A 1 143 ? 40.024 57.555 -20.132 1.00 25.64 ? 143 THR A N 1 ATOM 1149 C CA . THR A 1 143 ? 40.474 58.038 -18.830 1.00 23.99 ? 143 THR A CA 1 ATOM 1150 C C . THR A 1 143 ? 41.876 58.624 -18.986 1.00 24.96 ? 143 THR A C 1 ATOM 1151 O O . THR A 1 143 ? 42.165 59.720 -18.494 1.00 22.67 ? 143 THR A O 1 ATOM 1152 C CB . THR A 1 143 ? 40.521 56.902 -17.786 1.00 24.82 ? 143 THR A CB 1 ATOM 1153 O OG1 . THR A 1 143 ? 39.218 56.311 -17.648 1.00 23.26 ? 143 THR A OG1 1 ATOM 1154 C CG2 . THR A 1 143 ? 40.971 57.452 -16.429 1.00 21.58 ? 143 THR A CG2 1 ATOM 1155 N N . LYS A 1 144 ? 42.737 57.884 -19.681 1.00 23.91 ? 144 LYS A N 1 ATOM 1156 C CA . LYS A 1 144 ? 44.110 58.311 -19.924 1.00 24.51 ? 144 LYS A CA 1 ATOM 1157 C C . LYS A 1 144 ? 44.129 59.725 -20.504 1.00 24.57 ? 144 LYS A C 1 ATOM 1158 O O . LYS A 1 144 ? 44.845 60.595 -20.007 1.00 25.16 ? 144 LYS A O 1 ATOM 1159 C CB . LYS A 1 144 ? 44.798 57.341 -20.887 1.00 22.10 ? 144 LYS A CB 1 ATOM 1160 C CG . LYS A 1 144 ? 46.252 57.676 -21.209 1.00 23.93 ? 144 LYS A CG 1 ATOM 1161 C CD . LYS A 1 144 ? 46.824 56.654 -22.190 1.00 25.42 ? 144 LYS A CD 1 ATOM 1162 C CE . LYS A 1 144 ? 48.328 56.774 -22.347 1.00 23.88 ? 144 LYS A CE 1 ATOM 1163 N NZ . LYS A 1 144 ? 48.730 58.017 -23.025 1.00 26.48 ? 144 LYS A NZ 1 ATOM 1164 N N . HIS A 1 145 ? 43.336 59.953 -21.548 1.00 25.43 ? 145 HIS A N 1 ATOM 1165 C CA . HIS A 1 145 ? 43.280 61.271 -22.176 1.00 26.99 ? 145 HIS A CA 1 ATOM 1166 C C . HIS A 1 145 ? 42.803 62.328 -21.186 1.00 24.73 ? 145 HIS A C 1 ATOM 1167 O O . HIS A 1 145 ? 43.336 63.421 -21.152 1.00 25.91 ? 145 HIS A O 1 ATOM 1168 C CB . HIS A 1 145 ? 42.362 61.251 -23.403 1.00 27.59 ? 145 HIS A CB 1 ATOM 1169 C CG . HIS A 1 145 ? 42.874 60.407 -24.529 1.00 30.39 ? 145 HIS A CG 1 ATOM 1170 N ND1 . HIS A 1 145 ? 44.217 60.167 -24.726 1.00 32.97 ? 145 HIS A ND1 1 ATOM 1171 C CD2 . HIS A 1 145 ? 42.225 59.777 -25.537 1.00 29.29 ? 145 HIS A CD2 1 ATOM 1172 C CE1 . HIS A 1 145 ? 44.373 59.423 -25.808 1.00 31.67 ? 145 HIS A CE1 1 ATOM 1173 N NE2 . HIS A 1 145 ? 43.181 59.174 -26.319 1.00 32.09 ? 145 HIS A NE2 1 ATOM 1174 N N . LYS A 1 146 ? 41.783 62.013 -20.398 1.00 25.37 ? 146 LYS A N 1 ATOM 1175 C CA . LYS A 1 146 ? 41.310 62.957 -19.392 1.00 25.59 ? 146 LYS A CA 1 ATOM 1176 C C . LYS A 1 146 ? 42.419 63.312 -18.392 1.00 25.61 ? 146 LYS A C 1 ATOM 1177 O O . LYS A 1 146 ? 42.633 64.488 -18.070 1.00 23.53 ? 146 LYS A O 1 ATOM 1178 C CB . LYS A 1 146 ? 40.138 62.365 -18.607 1.00 26.80 ? 146 LYS A CB 1 ATOM 1179 C CG . LYS A 1 146 ? 38.825 62.249 -19.385 1.00 28.97 ? 146 LYS A CG 1 ATOM 1180 C CD . LYS A 1 146 ? 37.696 61.872 -18.445 1.00 30.23 ? 146 LYS A CD 1 ATOM 1181 C CE . LYS A 1 146 ? 36.399 61.619 -19.174 1.00 31.96 ? 146 LYS A CE 1 ATOM 1182 N NZ . LYS A 1 146 ? 35.316 61.183 -18.240 1.00 35.80 ? 146 LYS A NZ 1 ATOM 1183 N N . TRP A 1 147 ? 43.095 62.290 -17.865 1.00 24.19 ? 147 TRP A N 1 ATOM 1184 C CA . TRP A 1 147 ? 44.150 62.529 -16.881 1.00 25.61 ? 147 TRP A CA 1 ATOM 1185 C C . TRP A 1 147 ? 45.334 63.304 -17.448 1.00 26.41 ? 147 TRP A C 1 ATOM 1186 O O . TRP A 1 147 ? 45.934 64.117 -16.746 1.00 26.48 ? 147 TRP A O 1 ATOM 1187 C CB . TRP A 1 147 ? 44.620 61.205 -16.245 1.00 23.78 ? 147 TRP A CB 1 ATOM 1188 C CG . TRP A 1 147 ? 43.582 60.603 -15.330 1.00 24.85 ? 147 TRP A CG 1 ATOM 1189 C CD1 . TRP A 1 147 ? 42.418 61.192 -14.913 1.00 24.11 ? 147 TRP A CD1 1 ATOM 1190 C CD2 . TRP A 1 147 ? 43.614 59.305 -14.719 1.00 24.83 ? 147 TRP A CD2 1 ATOM 1191 N NE1 . TRP A 1 147 ? 41.724 60.345 -14.085 1.00 24.18 ? 147 TRP A NE1 1 ATOM 1192 C CE2 . TRP A 1 147 ? 42.435 59.180 -13.946 1.00 25.70 ? 147 TRP A CE2 1 ATOM 1193 C CE3 . TRP A 1 147 ? 44.524 58.236 -14.746 1.00 24.95 ? 147 TRP A CE3 1 ATOM 1194 C CZ2 . TRP A 1 147 ? 42.141 58.031 -13.208 1.00 24.68 ? 147 TRP A CZ2 1 ATOM 1195 C CZ3 . TRP A 1 147 ? 44.231 57.094 -14.011 1.00 25.63 ? 147 TRP A CZ3 1 ATOM 1196 C CH2 . TRP A 1 147 ? 43.048 57.002 -13.252 1.00 25.83 ? 147 TRP A CH2 1 ATOM 1197 N N . GLU A 1 148 ? 45.665 63.068 -18.715 1.00 27.05 ? 148 GLU A N 1 ATOM 1198 C CA . GLU A 1 148 ? 46.778 63.785 -19.325 1.00 29.37 ? 148 GLU A CA 1 ATOM 1199 C C . GLU A 1 148 ? 46.451 65.283 -19.396 1.00 30.25 ? 148 GLU A C 1 ATOM 1200 O O . GLU A 1 148 ? 47.285 66.125 -19.062 1.00 30.93 ? 148 GLU A O 1 ATOM 1201 C CB . GLU A 1 148 ? 47.086 63.225 -20.723 1.00 29.42 ? 148 GLU A CB 1 ATOM 1202 C CG . GLU A 1 148 ? 47.487 61.752 -20.693 1.00 33.82 ? 148 GLU A CG 1 ATOM 1203 C CD . GLU A 1 148 ? 47.798 61.178 -22.064 1.00 37.35 ? 148 GLU A CD 1 ATOM 1204 O OE1 . GLU A 1 148 ? 47.080 61.512 -23.032 1.00 39.70 ? 148 GLU A OE1 1 ATOM 1205 O OE2 . GLU A 1 148 ? 48.752 60.378 -22.173 1.00 38.03 ? 148 GLU A OE2 1 ATOM 1206 N N . GLN A 1 149 ? 45.227 65.613 -19.796 1.00 31.92 ? 149 GLN A N 1 ATOM 1207 C CA . GLN A 1 149 ? 44.816 67.010 -19.900 1.00 33.89 ? 149 GLN A CA 1 ATOM 1208 C C . GLN A 1 149 ? 44.650 67.674 -18.543 1.00 32.98 ? 149 GLN A C 1 ATOM 1209 O O . GLN A 1 149 ? 44.656 68.898 -18.442 1.00 33.13 ? 149 GLN A O 1 ATOM 1210 C CB . GLN A 1 149 ? 43.505 67.123 -20.685 1.00 36.54 ? 149 GLN A CB 1 ATOM 1211 C CG . GLN A 1 149 ? 43.630 66.758 -22.150 1.00 44.42 ? 149 GLN A CG 1 ATOM 1212 C CD . GLN A 1 149 ? 44.673 67.601 -22.868 1.00 49.80 ? 149 GLN A CD 1 ATOM 1213 O OE1 . GLN A 1 149 ? 44.635 68.838 -22.819 1.00 51.65 ? 149 GLN A OE1 1 ATOM 1214 N NE2 . GLN A 1 149 ? 45.604 66.938 -23.549 1.00 52.01 ? 149 GLN A NE2 1 ATOM 1215 N N . ALA A 1 150 ? 44.496 66.870 -17.499 1.00 33.24 ? 150 ALA A N 1 ATOM 1216 C CA . ALA A 1 150 ? 44.325 67.407 -16.155 1.00 32.66 ? 150 ALA A CA 1 ATOM 1217 C C . ALA A 1 150 ? 45.637 67.476 -15.378 1.00 33.51 ? 150 ALA A C 1 ATOM 1218 O O . ALA A 1 150 ? 45.687 68.042 -14.285 1.00 35.00 ? 150 ALA A O 1 ATOM 1219 C CB . ALA A 1 150 ? 43.314 66.571 -15.386 1.00 32.46 ? 150 ALA A CB 1 ATOM 1220 N N . GLY A 1 151 ? 46.703 66.913 -15.938 1.00 33.81 ? 151 GLY A N 1 ATOM 1221 C CA . GLY A 1 151 ? 47.983 66.931 -15.247 1.00 32.80 ? 151 GLY A CA 1 ATOM 1222 C C . GLY A 1 151 ? 47.963 66.001 -14.046 1.00 32.76 ? 151 GLY A C 1 ATOM 1223 O O . GLY A 1 151 ? 48.688 66.198 -13.068 1.00 30.25 ? 151 GLY A O 1 ATOM 1224 N N . GLU A 1 152 ? 47.127 64.973 -14.131 1.00 32.27 ? 152 GLU A N 1 ATOM 1225 C CA . GLU A 1 152 ? 46.991 63.996 -13.064 1.00 32.91 ? 152 GLU A CA 1 ATOM 1226 C C . GLU A 1 152 ? 48.300 63.274 -12.744 1.00 32.04 ? 152 GLU A C 1 ATOM 1227 O O . GLU A 1 152 ? 48.594 62.987 -11.579 1.00 31.84 ? 152 GLU A O 1 ATOM 1228 C CB . GLU A 1 152 ? 45.918 62.978 -13.448 1.00 33.86 ? 152 GLU A CB 1 ATOM 1229 C CG . GLU A 1 152 ? 45.616 61.976 -12.364 1.00 39.90 ? 152 GLU A CG 1 ATOM 1230 C CD . GLU A 1 152 ? 45.056 62.614 -11.107 1.00 42.64 ? 152 GLU A CD 1 ATOM 1231 O OE1 . GLU A 1 152 ? 44.806 63.841 -11.105 1.00 43.33 ? 152 GLU A OE1 1 ATOM 1232 O OE2 . GLU A 1 152 ? 44.860 61.875 -10.120 1.00 45.28 ? 152 GLU A OE2 1 ATOM 1233 N N . ALA A 1 153 ? 49.087 62.986 -13.774 1.00 31.17 ? 153 ALA A N 1 ATOM 1234 C CA . ALA A 1 153 ? 50.350 62.283 -13.573 1.00 32.48 ? 153 ALA A CA 1 ATOM 1235 C C . ALA A 1 153 ? 51.273 63.069 -12.645 1.00 33.23 ? 153 ALA A C 1 ATOM 1236 O O . ALA A 1 153 ? 51.944 62.491 -11.789 1.00 30.40 ? 153 ALA A O 1 ATOM 1237 C CB . ALA A 1 153 ? 51.037 62.034 -14.916 1.00 31.83 ? 153 ALA A CB 1 ATOM 1238 N N . GLU A 1 154 ? 51.292 64.388 -12.812 1.00 33.03 ? 154 GLU A N 1 ATOM 1239 C CA . GLU A 1 154 ? 52.133 65.244 -11.988 1.00 33.21 ? 154 GLU A CA 1 ATOM 1240 C C . GLU A 1 154 ? 51.673 65.244 -10.536 1.00 31.58 ? 154 GLU A C 1 ATOM 1241 O O . GLU A 1 154 ? 52.493 65.226 -9.609 1.00 27.83 ? 154 GLU A O 1 ATOM 1242 C CB . GLU A 1 154 ? 52.122 66.675 -12.524 1.00 37.75 ? 154 GLU A CB 1 ATOM 1243 C CG . GLU A 1 154 ? 52.682 66.820 -13.933 1.00 47.90 ? 154 GLU A CG 1 ATOM 1244 C CD . GLU A 1 154 ? 51.678 66.470 -15.024 1.00 52.36 ? 154 GLU A CD 1 ATOM 1245 O OE1 . GLU A 1 154 ? 51.261 65.295 -15.120 1.00 55.55 ? 154 GLU A OE1 1 ATOM 1246 O OE2 . GLU A 1 154 ? 51.304 67.383 -15.792 1.00 56.69 ? 154 GLU A OE2 1 ATOM 1247 N N . ARG A 1 155 ? 50.357 65.277 -10.343 1.00 28.75 ? 155 ARG A N 1 ATOM 1248 C CA . ARG A 1 155 ? 49.786 65.282 -9.000 1.00 28.18 ? 155 ARG A CA 1 ATOM 1249 C C . ARG A 1 155 ? 50.109 63.968 -8.293 1.00 27.24 ? 155 ARG A C 1 ATOM 1250 O O . ARG A 1 155 ? 50.514 63.958 -7.132 1.00 26.88 ? 155 ARG A O 1 ATOM 1251 C CB . ARG A 1 155 ? 48.259 65.470 -9.063 1.00 28.34 ? 155 ARG A CB 1 ATOM 1252 C CG . ARG A 1 155 ? 47.583 65.549 -7.696 1.00 31.03 ? 155 ARG A CG 1 ATOM 1253 C CD . ARG A 1 155 ? 46.066 65.719 -7.815 1.00 34.52 ? 155 ARG A CD 1 ATOM 1254 N NE . ARG A 1 155 ? 45.378 64.481 -8.180 1.00 35.77 ? 155 ARG A NE 1 ATOM 1255 C CZ . ARG A 1 155 ? 45.049 63.518 -7.322 1.00 35.49 ? 155 ARG A CZ 1 ATOM 1256 N NH1 . ARG A 1 155 ? 45.340 63.642 -6.034 1.00 34.90 ? 155 ARG A NH1 1 ATOM 1257 N NH2 . ARG A 1 155 ? 44.421 62.432 -7.751 1.00 33.66 ? 155 ARG A NH2 1 ATOM 1258 N N . LEU A 1 156 ? 49.924 62.862 -9.005 1.00 27.12 ? 156 LEU A N 1 ATOM 1259 C CA . LEU A 1 156 ? 50.182 61.547 -8.449 1.00 27.92 ? 156 LEU A CA 1 ATOM 1260 C C . LEU A 1 156 ? 51.659 61.397 -8.139 1.00 28.55 ? 156 LEU A C 1 ATOM 1261 O O . LEU A 1 156 ? 52.032 60.805 -7.128 1.00 29.01 ? 156 LEU A O 1 ATOM 1262 C CB . LEU A 1 156 ? 49.735 60.455 -9.433 1.00 29.28 ? 156 LEU A CB 1 ATOM 1263 C CG . LEU A 1 156 ? 49.829 59.004 -8.954 1.00 30.77 ? 156 LEU A CG 1 ATOM 1264 C CD1 . LEU A 1 156 ? 49.091 58.837 -7.635 1.00 29.43 ? 156 LEU A CD1 1 ATOM 1265 C CD2 . LEU A 1 156 ? 49.240 58.080 -10.007 1.00 34.07 ? 156 LEU A CD2 1 ATOM 1266 N N . ARG A 1 157 ? 52.503 61.947 -9.004 1.00 29.43 ? 157 ARG A N 1 ATOM 1267 C CA . ARG A 1 157 ? 53.938 61.853 -8.796 1.00 31.02 ? 157 ARG A CA 1 ATOM 1268 C C . ARG A 1 157 ? 54.369 62.630 -7.551 1.00 29.62 ? 157 ARG A C 1 ATOM 1269 O O . ARG A 1 157 ? 55.272 62.202 -6.831 1.00 28.05 ? 157 ARG A O 1 ATOM 1270 C CB . ARG A 1 157 ? 54.689 62.356 -10.029 1.00 34.42 ? 157 ARG A CB 1 ATOM 1271 C CG . ARG A 1 157 ? 56.186 62.132 -9.948 1.00 38.32 ? 157 ARG A CG 1 ATOM 1272 C CD . ARG A 1 157 ? 56.913 62.639 -11.182 1.00 42.38 ? 157 ARG A CD 1 ATOM 1273 N NE . ARG A 1 157 ? 58.357 62.611 -10.967 1.00 47.75 ? 157 ARG A NE 1 ATOM 1274 C CZ . ARG A 1 157 ? 59.263 63.017 -11.850 1.00 49.93 ? 157 ARG A CZ 1 ATOM 1275 N NH1 . ARG A 1 157 ? 58.886 63.490 -13.033 1.00 50.27 ? 157 ARG A NH1 1 ATOM 1276 N NH2 . ARG A 1 157 ? 60.551 62.953 -11.543 1.00 51.05 ? 157 ARG A NH2 1 ATOM 1277 N N . ALA A 1 158 ? 53.722 63.765 -7.294 1.00 28.50 ? 158 ALA A N 1 ATOM 1278 C CA . ALA A 1 158 ? 54.040 64.568 -6.115 1.00 27.54 ? 158 ALA A CA 1 ATOM 1279 C C . ALA A 1 158 ? 53.614 63.784 -4.874 1.00 27.94 ? 158 ALA A C 1 ATOM 1280 O O . ALA A 1 158 ? 54.273 63.837 -3.833 1.00 27.36 ? 158 ALA A O 1 ATOM 1281 C CB . ALA A 1 158 ? 53.307 65.911 -6.166 1.00 26.34 ? 158 ALA A CB 1 ATOM 1282 N N . TYR A 1 159 ? 52.508 63.054 -4.986 1.00 26.29 ? 159 TYR A N 1 ATOM 1283 C CA . TYR A 1 159 ? 52.034 62.256 -3.861 1.00 27.77 ? 159 TYR A CA 1 ATOM 1284 C C . TYR A 1 159 ? 52.976 61.079 -3.580 1.00 27.57 ? 159 TYR A C 1 ATOM 1285 O O . TYR A 1 159 ? 53.364 60.843 -2.438 1.00 27.71 ? 159 TYR A O 1 ATOM 1286 C CB . TYR A 1 159 ? 50.632 61.702 -4.130 1.00 25.99 ? 159 TYR A CB 1 ATOM 1287 C CG . TYR A 1 159 ? 50.253 60.588 -3.172 1.00 26.42 ? 159 TYR A CG 1 ATOM 1288 C CD1 . TYR A 1 159 ? 49.799 60.869 -1.883 1.00 24.98 ? 159 TYR A CD1 1 ATOM 1289 C CD2 . TYR A 1 159 ? 50.395 59.246 -3.544 1.00 26.03 ? 159 TYR A CD2 1 ATOM 1290 C CE1 . TYR A 1 159 ? 49.492 59.844 -0.982 1.00 25.20 ? 159 TYR A CE1 1 ATOM 1291 C CE2 . TYR A 1 159 ? 50.095 58.212 -2.652 1.00 25.53 ? 159 TYR A CE2 1 ATOM 1292 C CZ . TYR A 1 159 ? 49.646 58.516 -1.375 1.00 25.94 ? 159 TYR A CZ 1 ATOM 1293 O OH . TYR A 1 159 ? 49.366 57.495 -0.493 1.00 23.42 ? 159 TYR A OH 1 ATOM 1294 N N . LEU A 1 160 ? 53.328 60.338 -4.626 1.00 27.87 ? 160 LEU A N 1 ATOM 1295 C CA . LEU A 1 160 ? 54.200 59.181 -4.480 1.00 28.42 ? 160 LEU A CA 1 ATOM 1296 C C . LEU A 1 160 ? 55.602 59.510 -3.971 1.00 30.38 ? 160 LEU A C 1 ATOM 1297 O O . LEU A 1 160 ? 56.124 58.814 -3.100 1.00 31.53 ? 160 LEU A O 1 ATOM 1298 C CB . LEU A 1 160 ? 54.298 58.424 -5.810 1.00 27.47 ? 160 LEU A CB 1 ATOM 1299 C CG . LEU A 1 160 ? 53.005 57.773 -6.311 1.00 25.18 ? 160 LEU A CG 1 ATOM 1300 C CD1 . LEU A 1 160 ? 53.240 57.149 -7.677 1.00 25.16 ? 160 LEU A CD1 1 ATOM 1301 C CD2 . LEU A 1 160 ? 52.534 56.728 -5.312 1.00 24.06 ? 160 LEU A CD2 1 ATOM 1302 N N . GLU A 1 161 ? 56.206 60.570 -4.499 1.00 31.31 ? 161 GLU A N 1 ATOM 1303 C CA . GLU A 1 161 ? 57.556 60.946 -4.088 1.00 32.66 ? 161 GLU A CA 1 ATOM 1304 C C . GLU A 1 161 ? 57.595 61.715 -2.777 1.00 32.01 ? 161 GLU A C 1 ATOM 1305 O O . GLU A 1 161 ? 58.610 61.712 -2.086 1.00 33.15 ? 161 GLU A O 1 ATOM 1306 C CB . GLU A 1 161 ? 58.242 61.783 -5.172 1.00 33.30 ? 161 GLU A CB 1 ATOM 1307 C CG . GLU A 1 161 ? 58.221 61.166 -6.559 1.00 37.11 ? 161 GLU A CG 1 ATOM 1308 C CD . GLU A 1 161 ? 59.085 61.935 -7.544 1.00 37.74 ? 161 GLU A CD 1 ATOM 1309 O OE1 . GLU A 1 161 ? 59.173 63.173 -7.418 1.00 39.30 ? 161 GLU A OE1 1 ATOM 1310 O OE2 . GLU A 1 161 ? 59.666 61.304 -8.452 1.00 41.32 ? 161 GLU A OE2 1 ATOM 1311 N N . GLY A 1 162 ? 56.493 62.373 -2.435 1.00 31.70 ? 162 GLY A N 1 ATOM 1312 C CA . GLY A 1 162 ? 56.464 63.141 -1.207 1.00 29.55 ? 162 GLY A CA 1 ATOM 1313 C C . GLY A 1 162 ? 55.624 62.518 -0.113 1.00 29.47 ? 162 GLY A C 1 ATOM 1314 O O . GLY A 1 162 ? 56.119 61.734 0.693 1.00 30.23 ? 162 GLY A O 1 ATOM 1315 N N . THR A 1 163 ? 54.346 62.880 -0.091 1.00 27.50 ? 163 THR A N 1 ATOM 1316 C CA . THR A 1 163 ? 53.398 62.389 0.897 1.00 26.48 ? 163 THR A CA 1 ATOM 1317 C C . THR A 1 163 ? 53.534 60.902 1.218 1.00 23.45 ? 163 THR A C 1 ATOM 1318 O O . THR A 1 163 ? 53.691 60.523 2.379 1.00 22.46 ? 163 THR A O 1 ATOM 1319 C CB . THR A 1 163 ? 51.959 62.664 0.423 1.00 28.23 ? 163 THR A CB 1 ATOM 1320 O OG1 . THR A 1 163 ? 51.834 64.053 0.109 1.00 31.51 ? 163 THR A OG1 1 ATOM 1321 C CG2 . THR A 1 163 ? 50.944 62.306 1.500 1.00 25.82 ? 163 THR A CG2 1 ATOM 1322 N N . CYS A 1 164 ? 53.486 60.062 0.191 1.00 22.65 ? 164 CYS A N 1 ATOM 1323 C CA . CYS A 1 164 ? 53.568 58.620 0.402 1.00 21.87 ? 164 CYS A CA 1 ATOM 1324 C C . CYS A 1 164 ? 54.847 58.200 1.111 1.00 21.53 ? 164 CYS A C 1 ATOM 1325 O O . CYS A 1 164 ? 54.800 57.478 2.101 1.00 21.17 ? 164 CYS A O 1 ATOM 1326 C CB . CYS A 1 164 ? 53.447 57.872 -0.924 1.00 20.11 ? 164 CYS A CB 1 ATOM 1327 S SG . CYS A 1 164 ? 53.199 56.073 -0.709 1.00 24.15 ? 164 CYS A SG 1 ATOM 1328 N N . VAL A 1 165 ? 55.986 58.658 0.606 1.00 21.55 ? 165 VAL A N 1 ATOM 1329 C CA . VAL A 1 165 ? 57.269 58.312 1.199 1.00 23.00 ? 165 VAL A CA 1 ATOM 1330 C C . VAL A 1 165 ? 57.372 58.835 2.631 1.00 23.88 ? 165 VAL A C 1 ATOM 1331 O O . VAL A 1 165 ? 57.807 58.123 3.532 1.00 22.80 ? 165 VAL A O 1 ATOM 1332 C CB . VAL A 1 165 ? 58.436 58.881 0.347 1.00 24.05 ? 165 VAL A CB 1 ATOM 1333 C CG1 . VAL A 1 165 ? 59.747 58.775 1.104 1.00 23.54 ? 165 VAL A CG1 1 ATOM 1334 C CG2 . VAL A 1 165 ? 58.532 58.115 -0.968 1.00 22.45 ? 165 VAL A CG2 1 ATOM 1335 N N . GLU A 1 166 ? 56.948 60.074 2.842 1.00 22.90 ? 166 GLU A N 1 ATOM 1336 C CA . GLU A 1 166 ? 57.027 60.674 4.162 1.00 23.82 ? 166 GLU A CA 1 ATOM 1337 C C . GLU A 1 166 ? 56.212 59.954 5.223 1.00 22.30 ? 166 GLU A C 1 ATOM 1338 O O . GLU A 1 166 ? 56.691 59.757 6.335 1.00 22.66 ? 166 GLU A O 1 ATOM 1339 C CB . GLU A 1 166 ? 56.633 62.149 4.082 1.00 25.34 ? 166 GLU A CB 1 ATOM 1340 C CG . GLU A 1 166 ? 57.760 63.008 3.545 1.00 32.25 ? 166 GLU A CG 1 ATOM 1341 C CD . GLU A 1 166 ? 57.298 64.361 3.051 1.00 36.13 ? 166 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 166 ? 56.467 65.002 3.735 1.00 38.76 ? 166 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 166 ? 57.783 64.785 1.980 1.00 38.05 ? 166 GLU A OE2 1 ATOM 1344 N N . TRP A 1 167 ? 54.985 59.563 4.898 1.00 21.95 ? 167 TRP A N 1 ATOM 1345 C CA . TRP A 1 167 ? 54.174 58.854 5.876 1.00 22.07 ? 167 TRP A CA 1 ATOM 1346 C C . TRP A 1 167 ? 54.713 57.447 6.108 1.00 20.37 ? 167 TRP A C 1 ATOM 1347 O O . TRP A 1 167 ? 54.702 56.968 7.239 1.00 20.43 ? 167 TRP A O 1 ATOM 1348 C CB . TRP A 1 167 ? 52.706 58.794 5.446 1.00 23.95 ? 167 TRP A CB 1 ATOM 1349 C CG . TRP A 1 167 ? 51.963 60.059 5.763 1.00 25.49 ? 167 TRP A CG 1 ATOM 1350 C CD1 . TRP A 1 167 ? 51.709 61.102 4.916 1.00 27.27 ? 167 TRP A CD1 1 ATOM 1351 C CD2 . TRP A 1 167 ? 51.435 60.441 7.040 1.00 26.69 ? 167 TRP A CD2 1 ATOM 1352 N NE1 . TRP A 1 167 ? 51.058 62.111 5.588 1.00 28.95 ? 167 TRP A NE1 1 ATOM 1353 C CE2 . TRP A 1 167 ? 50.877 61.730 6.894 1.00 28.55 ? 167 TRP A CE2 1 ATOM 1354 C CE3 . TRP A 1 167 ? 51.379 59.818 8.295 1.00 27.03 ? 167 TRP A CE3 1 ATOM 1355 C CZ2 . TRP A 1 167 ? 50.268 62.410 7.959 1.00 29.23 ? 167 TRP A CZ2 1 ATOM 1356 C CZ3 . TRP A 1 167 ? 50.775 60.494 9.353 1.00 27.68 ? 167 TRP A CZ3 1 ATOM 1357 C CH2 . TRP A 1 167 ? 50.227 61.777 9.176 1.00 27.83 ? 167 TRP A CH2 1 ATOM 1358 N N . LEU A 1 168 ? 55.194 56.789 5.054 1.00 18.69 ? 168 LEU A N 1 ATOM 1359 C CA . LEU A 1 168 ? 55.747 55.445 5.220 1.00 20.40 ? 168 LEU A CA 1 ATOM 1360 C C . LEU A 1 168 ? 56.911 55.507 6.209 1.00 19.95 ? 168 LEU A C 1 ATOM 1361 O O . LEU A 1 168 ? 56.995 54.682 7.114 1.00 20.08 ? 168 LEU A O 1 ATOM 1362 C CB . LEU A 1 168 ? 56.224 54.860 3.878 1.00 17.64 ? 168 LEU A CB 1 ATOM 1363 C CG . LEU A 1 168 ? 56.978 53.514 3.922 1.00 18.20 ? 168 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 168 ? 56.173 52.465 4.692 1.00 15.80 ? 168 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 168 ? 57.238 53.026 2.497 1.00 16.31 ? 168 LEU A CD2 1 ATOM 1366 N N . ARG A 1 169 ? 57.795 56.494 6.048 1.00 21.22 ? 169 ARG A N 1 ATOM 1367 C CA . ARG A 1 169 ? 58.947 56.643 6.950 1.00 21.90 ? 169 ARG A CA 1 ATOM 1368 C C . ARG A 1 169 ? 58.466 56.821 8.384 1.00 20.93 ? 169 ARG A C 1 ATOM 1369 O O . ARG A 1 169 ? 59.030 56.258 9.323 1.00 22.99 ? 169 ARG A O 1 ATOM 1370 C CB . ARG A 1 169 ? 59.791 57.869 6.577 1.00 21.81 ? 169 ARG A CB 1 ATOM 1371 C CG . ARG A 1 169 ? 60.579 57.776 5.277 1.00 25.83 ? 169 ARG A CG 1 ATOM 1372 C CD . ARG A 1 169 ? 61.266 59.127 4.989 1.00 24.81 ? 169 ARG A CD 1 ATOM 1373 N NE . ARG A 1 169 ? 61.934 59.158 3.690 1.00 26.40 ? 169 ARG A NE 1 ATOM 1374 C CZ . ARG A 1 169 ? 62.168 60.274 3.004 1.00 28.07 ? 169 ARG A CZ 1 ATOM 1375 N NH1 . ARG A 1 169 ? 61.784 61.446 3.496 1.00 29.29 ? 169 ARG A NH1 1 ATOM 1376 N NH2 . ARG A 1 169 ? 62.787 60.225 1.832 1.00 25.42 ? 169 ARG A NH2 1 ATOM 1377 N N . ARG A 1 170 ? 57.426 57.625 8.542 1.00 19.04 ? 170 ARG A N 1 ATOM 1378 C CA . ARG A 1 170 ? 56.862 57.889 9.852 1.00 20.14 ? 170 ARG A CA 1 ATOM 1379 C C . ARG A 1 170 ? 56.210 56.640 10.454 1.00 18.79 ? 170 ARG A C 1 ATOM 1380 O O . ARG A 1 170 ? 56.332 56.393 11.645 1.00 21.11 ? 170 ARG A O 1 ATOM 1381 C CB . ARG A 1 170 ? 55.840 59.028 9.749 1.00 19.65 ? 170 ARG A CB 1 ATOM 1382 C CG . ARG A 1 170 ? 55.148 59.358 11.053 1.00 21.70 ? 170 ARG A CG 1 ATOM 1383 C CD . ARG A 1 170 ? 53.985 60.298 10.795 1.00 24.57 ? 170 ARG A CD 1 ATOM 1384 N NE . ARG A 1 170 ? 53.074 60.364 11.930 1.00 28.21 ? 170 ARG A NE 1 ATOM 1385 C CZ . ARG A 1 170 ? 53.292 61.066 13.037 1.00 33.20 ? 170 ARG A CZ 1 ATOM 1386 N NH1 . ARG A 1 170 ? 54.403 61.781 13.173 1.00 33.24 ? 170 ARG A NH1 1 ATOM 1387 N NH2 . ARG A 1 170 ? 52.389 61.054 14.010 1.00 33.11 ? 170 ARG A NH2 1 ATOM 1388 N N . TYR A 1 171 ? 55.514 55.859 9.636 1.00 18.68 ? 171 TYR A N 1 ATOM 1389 C CA . TYR A 1 171 ? 54.862 54.646 10.128 1.00 19.54 ? 171 TYR A CA 1 ATOM 1390 C C . TYR A 1 171 ? 55.909 53.642 10.607 1.00 19.80 ? 171 TYR A C 1 ATOM 1391 O O . TYR A 1 171 ? 55.738 53.009 11.644 1.00 22.21 ? 171 TYR A O 1 ATOM 1392 C CB . TYR A 1 171 ? 54.006 53.999 9.033 1.00 18.87 ? 171 TYR A CB 1 ATOM 1393 C CG . TYR A 1 171 ? 52.835 54.834 8.579 1.00 19.31 ? 171 TYR A CG 1 ATOM 1394 C CD1 . TYR A 1 171 ? 52.059 55.544 9.499 1.00 18.88 ? 171 TYR A CD1 1 ATOM 1395 C CD2 . TYR A 1 171 ? 52.486 54.902 7.234 1.00 19.85 ? 171 TYR A CD2 1 ATOM 1396 C CE1 . TYR A 1 171 ? 50.962 56.303 9.083 1.00 19.57 ? 171 TYR A CE1 1 ATOM 1397 C CE2 . TYR A 1 171 ? 51.389 55.657 6.807 1.00 19.91 ? 171 TYR A CE2 1 ATOM 1398 C CZ . TYR A 1 171 ? 50.633 56.354 7.739 1.00 20.35 ? 171 TYR A CZ 1 ATOM 1399 O OH . TYR A 1 171 ? 49.548 57.101 7.324 1.00 19.93 ? 171 TYR A OH 1 ATOM 1400 N N . LEU A 1 172 ? 56.990 53.510 9.845 1.00 20.08 ? 172 LEU A N 1 ATOM 1401 C CA . LEU A 1 172 ? 58.083 52.594 10.173 1.00 22.24 ? 172 LEU A CA 1 ATOM 1402 C C . LEU A 1 172 ? 58.768 53.022 11.462 1.00 23.88 ? 172 LEU A C 1 ATOM 1403 O O . LEU A 1 172 ? 59.243 52.190 12.237 1.00 23.71 ? 172 LEU A O 1 ATOM 1404 C CB . LEU A 1 172 ? 59.103 52.570 9.034 1.00 19.83 ? 172 LEU A CB 1 ATOM 1405 C CG . LEU A 1 172 ? 58.609 51.945 7.724 1.00 21.19 ? 172 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 172 ? 59.512 52.396 6.572 1.00 17.51 ? 172 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 172 ? 58.593 50.409 7.849 1.00 18.49 ? 172 LEU A CD2 1 ATOM 1408 N N . LYS A 1 173 ? 58.820 54.331 11.681 1.00 23.86 ? 173 LYS A N 1 ATOM 1409 C CA . LYS A 1 173 ? 59.432 54.879 12.879 1.00 23.23 ? 173 LYS A CA 1 ATOM 1410 C C . LYS A 1 173 ? 58.544 54.588 14.085 1.00 23.24 ? 173 LYS A C 1 ATOM 1411 O O . LYS A 1 173 ? 59.007 54.035 15.077 1.00 25.94 ? 173 LYS A O 1 ATOM 1412 C CB . LYS A 1 173 ? 59.633 56.391 12.717 1.00 24.38 ? 173 LYS A CB 1 ATOM 1413 C CG . LYS A 1 173 ? 60.162 57.118 13.945 1.00 25.60 ? 173 LYS A CG 1 ATOM 1414 C CD . LYS A 1 173 ? 60.272 58.616 13.649 1.00 30.30 ? 173 LYS A CD 1 ATOM 1415 C CE . LYS A 1 173 ? 60.727 59.407 14.864 1.00 32.17 ? 173 LYS A CE 1 ATOM 1416 N NZ . LYS A 1 173 ? 59.682 59.446 15.925 1.00 35.25 ? 173 LYS A NZ 1 ATOM 1417 N N . ASN A 1 174 ? 57.265 54.946 13.994 1.00 23.04 ? 174 ASN A N 1 ATOM 1418 C CA . ASN A 1 174 ? 56.334 54.724 15.098 1.00 21.08 ? 174 ASN A CA 1 ATOM 1419 C C . ASN A 1 174 ? 56.094 53.250 15.432 1.00 22.52 ? 174 ASN A C 1 ATOM 1420 O O . ASN A 1 174 ? 56.026 52.882 16.606 1.00 22.64 ? 174 ASN A O 1 ATOM 1421 C CB . ASN A 1 174 ? 54.985 55.398 14.810 1.00 19.82 ? 174 ASN A CB 1 ATOM 1422 C CG . ASN A 1 174 ? 55.076 56.920 14.820 1.00 21.15 ? 174 ASN A CG 1 ATOM 1423 O OD1 . ASN A 1 174 ? 56.077 57.490 15.254 1.00 22.31 ? 174 ASN A OD1 1 ATOM 1424 N ND2 . ASN A 1 174 ? 54.025 57.580 14.351 1.00 18.79 ? 174 ASN A ND2 1 ATOM 1425 N N . GLY A 1 175 ? 55.960 52.408 14.411 1.00 22.62 ? 175 GLY A N 1 ATOM 1426 C CA . GLY A 1 175 ? 55.714 50.997 14.660 1.00 23.98 ? 175 GLY A CA 1 ATOM 1427 C C . GLY A 1 175 ? 56.943 50.126 14.494 1.00 24.91 ? 175 GLY A C 1 ATOM 1428 O O . GLY A 1 175 ? 56.836 48.935 14.182 1.00 23.60 ? 175 GLY A O 1 ATOM 1429 N N . ASN A 1 176 ? 58.110 50.718 14.723 1.00 25.35 ? 176 ASN A N 1 ATOM 1430 C CA . ASN A 1 176 ? 59.376 50.013 14.576 1.00 28.41 ? 176 ASN A CA 1 ATOM 1431 C C . ASN A 1 176 ? 59.474 48.686 15.331 1.00 27.48 ? 176 ASN A C 1 ATOM 1432 O O . ASN A 1 176 ? 60.026 47.726 14.809 1.00 27.96 ? 176 ASN A O 1 ATOM 1433 C CB . ASN A 1 176 ? 60.535 50.926 14.991 1.00 30.95 ? 176 ASN A CB 1 ATOM 1434 C CG . ASN A 1 176 ? 60.620 51.115 16.486 1.00 35.29 ? 176 ASN A CG 1 ATOM 1435 O OD1 . ASN A 1 176 ? 59.670 51.576 17.117 1.00 31.81 ? 176 ASN A OD1 1 ATOM 1436 N ND2 . ASN A 1 176 ? 61.766 50.753 17.055 1.00 42.93 ? 176 ASN A ND2 1 ATOM 1437 N N . ALA A 1 177 ? 58.944 48.625 16.548 1.00 28.90 ? 177 ALA A N 1 ATOM 1438 C CA . ALA A 1 177 ? 59.014 47.392 17.341 1.00 29.94 ? 177 ALA A CA 1 ATOM 1439 C C . ALA A 1 177 ? 58.270 46.232 16.684 1.00 30.65 ? 177 ALA A C 1 ATOM 1440 O O . ALA A 1 177 ? 58.606 45.068 16.899 1.00 31.55 ? 177 ALA A O 1 ATOM 1441 C CB . ALA A 1 177 ? 58.458 47.635 18.740 1.00 29.59 ? 177 ALA A CB 1 ATOM 1442 N N . THR A 1 178 ? 57.258 46.555 15.886 1.00 29.85 ? 178 THR A N 1 ATOM 1443 C CA . THR A 1 178 ? 56.464 45.545 15.194 1.00 27.02 ? 178 THR A CA 1 ATOM 1444 C C . THR A 1 178 ? 56.951 45.333 13.765 1.00 26.04 ? 178 THR A C 1 ATOM 1445 O O . THR A 1 178 ? 57.195 44.201 13.334 1.00 24.83 ? 178 THR A O 1 ATOM 1446 C CB . THR A 1 178 ? 54.976 45.960 15.111 1.00 26.65 ? 178 THR A CB 1 ATOM 1447 O OG1 . THR A 1 178 ? 54.441 46.096 16.429 1.00 28.94 ? 178 THR A OG1 1 ATOM 1448 C CG2 . THR A 1 178 ? 54.168 44.921 14.349 1.00 29.64 ? 178 THR A CG2 1 ATOM 1449 N N . LEU A 1 179 ? 57.097 46.435 13.039 1.00 22.01 ? 179 LEU A N 1 ATOM 1450 C CA . LEU A 1 179 ? 57.499 46.397 11.637 1.00 22.56 ? 179 LEU A CA 1 ATOM 1451 C C . LEU A 1 179 ? 58.936 45.973 11.332 1.00 24.31 ? 179 LEU A C 1 ATOM 1452 O O . LEU A 1 179 ? 59.189 45.373 10.287 1.00 22.18 ? 179 LEU A O 1 ATOM 1453 C CB . LEU A 1 179 ? 57.219 47.760 10.995 1.00 22.48 ? 179 LEU A CB 1 ATOM 1454 C CG . LEU A 1 179 ? 55.752 48.206 11.101 1.00 22.61 ? 179 LEU A CG 1 ATOM 1455 C CD1 . LEU A 1 179 ? 55.576 49.617 10.544 1.00 23.94 ? 179 LEU A CD1 1 ATOM 1456 C CD2 . LEU A 1 179 ? 54.868 47.214 10.343 1.00 20.94 ? 179 LEU A CD2 1 ATOM 1457 N N . LEU A 1 180 ? 59.872 46.270 12.228 1.00 23.23 ? 180 LEU A N 1 ATOM 1458 C CA . LEU A 1 180 ? 61.265 45.920 11.980 1.00 26.49 ? 180 LEU A CA 1 ATOM 1459 C C . LEU A 1 180 ? 61.703 44.632 12.661 1.00 27.58 ? 180 LEU A C 1 ATOM 1460 O O . LEU A 1 180 ? 62.879 44.272 12.626 1.00 28.14 ? 180 LEU A O 1 ATOM 1461 C CB . LEU A 1 180 ? 62.181 47.063 12.419 1.00 25.00 ? 180 LEU A CB 1 ATOM 1462 C CG . LEU A 1 180 ? 61.904 48.423 11.771 1.00 26.32 ? 180 LEU A CG 1 ATOM 1463 C CD1 . LEU A 1 180 ? 63.014 49.396 12.146 1.00 25.58 ? 180 LEU A CD1 1 ATOM 1464 C CD2 . LEU A 1 180 ? 61.819 48.273 10.262 1.00 26.95 ? 180 LEU A CD2 1 ATOM 1465 N N . ARG A 1 181 ? 60.756 43.935 13.275 1.00 28.60 ? 181 ARG A N 1 ATOM 1466 C CA . ARG A 1 181 ? 61.080 42.704 13.971 1.00 28.71 ? 181 ARG A CA 1 ATOM 1467 C C . ARG A 1 181 ? 61.243 41.554 12.989 1.00 29.54 ? 181 ARG A C 1 ATOM 1468 O O . ARG A 1 181 ? 60.894 41.657 11.811 1.00 28.93 ? 181 ARG A O 1 ATOM 1469 C CB . ARG A 1 181 ? 59.974 42.349 14.971 1.00 28.29 ? 181 ARG A CB 1 ATOM 1470 C CG . ARG A 1 181 ? 58.767 41.628 14.349 1.00 28.32 ? 181 ARG A CG 1 ATOM 1471 C CD . ARG A 1 181 ? 57.673 41.373 15.384 1.00 28.15 ? 181 ARG A CD 1 ATOM 1472 N NE . ARG A 1 181 ? 56.684 40.384 14.945 1.00 28.35 ? 181 ARG A NE 1 ATOM 1473 C CZ . ARG A 1 181 ? 55.720 40.605 14.053 1.00 30.17 ? 181 ARG A CZ 1 ATOM 1474 N NH1 . ARG A 1 181 ? 55.582 41.795 13.481 1.00 27.86 ? 181 ARG A NH1 1 ATOM 1475 N NH2 . ARG A 1 181 ? 54.887 39.625 13.729 1.00 29.02 ? 181 ARG A NH2 1 ATOM 1476 N N . THR A 1 182 ? 61.794 40.459 13.490 1.00 29.19 ? 182 THR A N 1 ATOM 1477 C CA . THR A 1 182 ? 61.953 39.259 12.693 1.00 31.24 ? 182 THR A CA 1 ATOM 1478 C C . THR A 1 182 ? 61.545 38.090 13.587 1.00 30.52 ? 182 THR A C 1 ATOM 1479 O O . THR A 1 182 ? 62.108 37.909 14.663 1.00 30.23 ? 182 THR A O 1 ATOM 1480 C CB . THR A 1 182 ? 63.411 39.055 12.230 1.00 33.05 ? 182 THR A CB 1 ATOM 1481 O OG1 . THR A 1 182 ? 63.814 40.144 11.390 1.00 37.47 ? 182 THR A OG1 1 ATOM 1482 C CG2 . THR A 1 182 ? 63.523 37.793 11.429 1.00 36.42 ? 182 THR A CG2 1 ATOM 1483 N N . ASP A 1 183 ? 60.529 37.337 13.176 1.00 29.42 ? 183 ASP A N 1 ATOM 1484 C CA . ASP A 1 183 ? 60.110 36.170 13.948 1.00 28.03 ? 183 ASP A CA 1 ATOM 1485 C C . ASP A 1 183 ? 60.607 34.970 13.150 1.00 26.98 ? 183 ASP A C 1 ATOM 1486 O O . ASP A 1 183 ? 60.232 34.788 11.994 1.00 26.13 ? 183 ASP A O 1 ATOM 1487 C CB . ASP A 1 183 ? 58.580 36.091 14.108 1.00 28.73 ? 183 ASP A CB 1 ATOM 1488 C CG . ASP A 1 183 ? 58.022 37.143 15.062 1.00 28.23 ? 183 ASP A CG 1 ATOM 1489 O OD1 . ASP A 1 183 ? 58.707 37.503 16.033 1.00 29.49 ? 183 ASP A OD1 1 ATOM 1490 O OD2 . ASP A 1 183 ? 56.880 37.598 14.858 1.00 29.73 ? 183 ASP A OD2 1 ATOM 1491 N N . SER A 1 184 ? 61.466 34.168 13.770 1.00 26.66 ? 184 SER A N 1 ATOM 1492 C CA . SER A 1 184 ? 62.045 32.996 13.120 1.00 27.89 ? 184 SER A CA 1 ATOM 1493 C C . SER A 1 184 ? 61.055 31.855 12.904 1.00 26.19 ? 184 SER A C 1 ATOM 1494 O O . SER A 1 184 ? 60.268 31.531 13.783 1.00 26.47 ? 184 SER A O 1 ATOM 1495 C CB . SER A 1 184 ? 63.223 32.477 13.951 1.00 28.67 ? 184 SER A CB 1 ATOM 1496 O OG . SER A 1 184 ? 64.159 33.509 14.203 1.00 32.84 ? 184 SER A OG 1 ATOM 1497 N N . PRO A 1 185 ? 61.093 31.225 11.725 1.00 26.91 ? 185 PRO A N 1 ATOM 1498 C CA . PRO A 1 185 ? 60.184 30.113 11.435 1.00 27.21 ? 185 PRO A CA 1 ATOM 1499 C C . PRO A 1 185 ? 60.477 28.903 12.318 1.00 28.89 ? 185 PRO A C 1 ATOM 1500 O O . PRO A 1 185 ? 61.623 28.659 12.686 1.00 29.42 ? 185 PRO A O 1 ATOM 1501 C CB . PRO A 1 185 ? 60.477 29.789 9.969 1.00 26.87 ? 185 PRO A CB 1 ATOM 1502 C CG . PRO A 1 185 ? 61.044 31.069 9.421 1.00 27.67 ? 185 PRO A CG 1 ATOM 1503 C CD . PRO A 1 185 ? 61.894 31.578 10.540 1.00 25.18 ? 185 PRO A CD 1 ATOM 1504 N N . LYS A 1 186 ? 59.430 28.159 12.659 1.00 30.17 ? 186 LYS A N 1 ATOM 1505 C CA . LYS A 1 186 ? 59.563 26.930 13.428 1.00 30.78 ? 186 LYS A CA 1 ATOM 1506 C C . LYS A 1 186 ? 59.050 25.890 12.443 1.00 30.94 ? 186 LYS A C 1 ATOM 1507 O O . LYS A 1 186 ? 57.930 26.002 11.936 1.00 29.98 ? 186 LYS A O 1 ATOM 1508 C CB . LYS A 1 186 ? 58.694 26.965 14.689 1.00 33.59 ? 186 LYS A CB 1 ATOM 1509 C CG . LYS A 1 186 ? 59.242 27.886 15.760 1.00 38.02 ? 186 LYS A CG 1 ATOM 1510 C CD . LYS A 1 186 ? 58.393 27.877 17.022 1.00 41.36 ? 186 LYS A CD 1 ATOM 1511 C CE . LYS A 1 186 ? 59.003 28.805 18.069 1.00 44.96 ? 186 LYS A CE 1 ATOM 1512 N NZ . LYS A 1 186 ? 58.293 28.757 19.381 1.00 48.22 ? 186 LYS A NZ 1 ATOM 1513 N N . ALA A 1 187 ? 59.866 24.885 12.157 1.00 28.39 ? 187 ALA A N 1 ATOM 1514 C CA . ALA A 1 187 ? 59.472 23.889 11.183 1.00 29.78 ? 187 ALA A CA 1 ATOM 1515 C C . ALA A 1 187 ? 59.355 22.477 11.709 1.00 30.26 ? 187 ALA A C 1 ATOM 1516 O O . ALA A 1 187 ? 59.971 22.114 12.708 1.00 30.48 ? 187 ALA A O 1 ATOM 1517 C CB . ALA A 1 187 ? 60.448 23.909 10.009 1.00 30.53 ? 187 ALA A CB 1 ATOM 1518 N N . HIS A 1 188 ? 58.544 21.690 11.011 1.00 30.40 ? 188 HIS A N 1 ATOM 1519 C CA . HIS A 1 188 ? 58.343 20.286 11.326 1.00 31.56 ? 188 HIS A CA 1 ATOM 1520 C C . HIS A 1 188 ? 57.848 19.596 10.065 1.00 29.81 ? 188 HIS A C 1 ATOM 1521 O O . HIS A 1 188 ? 57.368 20.245 9.138 1.00 28.60 ? 188 HIS A O 1 ATOM 1522 C CB . HIS A 1 188 ? 57.353 20.091 12.489 1.00 36.73 ? 188 HIS A CB 1 ATOM 1523 C CG . HIS A 1 188 ? 55.946 20.508 12.190 1.00 40.47 ? 188 HIS A CG 1 ATOM 1524 N ND1 . HIS A 1 188 ? 55.530 21.821 12.241 1.00 42.77 ? 188 HIS A ND1 1 ATOM 1525 C CD2 . HIS A 1 188 ? 54.844 19.777 11.888 1.00 42.46 ? 188 HIS A CD2 1 ATOM 1526 C CE1 . HIS A 1 188 ? 54.233 21.881 11.989 1.00 43.58 ? 188 HIS A CE1 1 ATOM 1527 N NE2 . HIS A 1 188 ? 53.792 20.655 11.772 1.00 42.40 ? 188 HIS A NE2 1 ATOM 1528 N N . VAL A 1 189 ? 58.000 18.281 10.018 1.00 29.14 ? 189 VAL A N 1 ATOM 1529 C CA . VAL A 1 189 ? 57.586 17.511 8.858 1.00 27.94 ? 189 VAL A CA 1 ATOM 1530 C C . VAL A 1 189 ? 56.532 16.479 9.253 1.00 28.91 ? 189 VAL A C 1 ATOM 1531 O O . VAL A 1 189 ? 56.662 15.822 10.281 1.00 26.52 ? 189 VAL A O 1 ATOM 1532 C CB . VAL A 1 189 ? 58.800 16.786 8.233 1.00 28.89 ? 189 VAL A CB 1 ATOM 1533 C CG1 . VAL A 1 189 ? 58.352 15.904 7.069 1.00 29.15 ? 189 VAL A CG1 1 ATOM 1534 C CG2 . VAL A 1 189 ? 59.829 17.811 7.757 1.00 28.19 ? 189 VAL A CG2 1 ATOM 1535 N N . THR A 1 190 ? 55.475 16.361 8.451 1.00 29.75 ? 190 THR A N 1 ATOM 1536 C CA . THR A 1 190 ? 54.433 15.383 8.728 1.00 30.65 ? 190 THR A CA 1 ATOM 1537 C C . THR A 1 190 ? 54.482 14.305 7.660 1.00 32.59 ? 190 THR A C 1 ATOM 1538 O O . THR A 1 190 ? 54.942 14.538 6.545 1.00 32.87 ? 190 THR A O 1 ATOM 1539 C CB . THR A 1 190 ? 53.022 16.014 8.785 1.00 30.01 ? 190 THR A CB 1 ATOM 1540 O OG1 . THR A 1 190 ? 52.766 16.756 7.589 1.00 30.16 ? 190 THR A OG1 1 ATOM 1541 C CG2 . THR A 1 190 ? 52.901 16.925 10.000 1.00 29.95 ? 190 THR A CG2 1 ATOM 1542 N N . HIS A 1 191 ? 53.998 13.124 8.021 1.00 35.71 ? 191 HIS A N 1 ATOM 1543 C CA . HIS A 1 191 ? 54.025 11.951 7.158 1.00 36.88 ? 191 HIS A CA 1 ATOM 1544 C C . HIS A 1 191 ? 52.621 11.389 6.926 1.00 36.30 ? 191 HIS A C 1 ATOM 1545 O O . HIS A 1 191 ? 51.841 11.253 7.863 1.00 37.14 ? 191 HIS A O 1 ATOM 1546 C CB . HIS A 1 191 ? 54.932 10.919 7.844 1.00 39.53 ? 191 HIS A CB 1 ATOM 1547 C CG . HIS A 1 191 ? 55.060 9.617 7.123 1.00 42.29 ? 191 HIS A CG 1 ATOM 1548 N ND1 . HIS A 1 191 ? 54.004 8.747 6.958 1.00 43.78 ? 191 HIS A ND1 1 ATOM 1549 C CD2 . HIS A 1 191 ? 56.139 9.008 6.576 1.00 44.60 ? 191 HIS A CD2 1 ATOM 1550 C CE1 . HIS A 1 191 ? 54.427 7.656 6.344 1.00 45.80 ? 191 HIS A CE1 1 ATOM 1551 N NE2 . HIS A 1 191 ? 55.720 7.789 6.101 1.00 47.24 ? 191 HIS A NE2 1 ATOM 1552 N N . HIS A 1 192 ? 52.302 11.078 5.672 1.00 35.93 ? 192 HIS A N 1 ATOM 1553 C CA . HIS A 1 192 ? 51.000 10.520 5.315 1.00 35.82 ? 192 HIS A CA 1 ATOM 1554 C C . HIS A 1 192 ? 51.173 9.398 4.294 1.00 36.29 ? 192 HIS A C 1 ATOM 1555 O O . HIS A 1 192 ? 51.844 9.571 3.274 1.00 34.56 ? 192 HIS A O 1 ATOM 1556 C CB . HIS A 1 192 ? 50.095 11.607 4.737 1.00 35.97 ? 192 HIS A CB 1 ATOM 1557 C CG . HIS A 1 192 ? 49.879 12.760 5.664 1.00 38.93 ? 192 HIS A CG 1 ATOM 1558 N ND1 . HIS A 1 192 ? 49.221 12.631 6.869 1.00 40.80 ? 192 HIS A ND1 1 ATOM 1559 C CD2 . HIS A 1 192 ? 50.277 14.052 5.589 1.00 38.94 ? 192 HIS A CD2 1 ATOM 1560 C CE1 . HIS A 1 192 ? 49.225 13.793 7.497 1.00 41.39 ? 192 HIS A CE1 1 ATOM 1561 N NE2 . HIS A 1 192 ? 49.860 14.672 6.742 1.00 41.69 ? 192 HIS A NE2 1 ATOM 1562 N N . SER A 1 193 ? 50.567 8.247 4.570 1.00 36.04 ? 193 SER A N 1 ATOM 1563 C CA . SER A 1 193 ? 50.677 7.109 3.668 1.00 37.05 ? 193 SER A CA 1 ATOM 1564 C C . SER A 1 193 ? 49.804 7.307 2.435 1.00 37.73 ? 193 SER A C 1 ATOM 1565 O O . SER A 1 193 ? 48.773 7.976 2.485 1.00 37.21 ? 193 SER A O 1 ATOM 1566 C CB . SER A 1 193 ? 50.277 5.814 4.387 1.00 36.25 ? 193 SER A CB 1 ATOM 1567 O OG . SER A 1 193 ? 48.879 5.751 4.602 1.00 35.90 ? 193 SER A OG 1 ATOM 1568 N N . ARG A 1 194 ? 50.238 6.729 1.324 1.00 39.40 ? 194 ARG A N 1 ATOM 1569 C CA . ARG A 1 194 ? 49.510 6.818 0.068 1.00 42.51 ? 194 ARG A CA 1 ATOM 1570 C C . ARG A 1 194 ? 49.459 5.422 -0.520 1.00 44.72 ? 194 ARG A C 1 ATOM 1571 O O . ARG A 1 194 ? 50.297 4.580 -0.205 1.00 45.83 ? 194 ARG A O 1 ATOM 1572 C CB . ARG A 1 194 ? 50.242 7.729 -0.919 1.00 43.73 ? 194 ARG A CB 1 ATOM 1573 C CG . ARG A 1 194 ? 50.447 9.155 -0.449 1.00 46.71 ? 194 ARG A CG 1 ATOM 1574 C CD . ARG A 1 194 ? 51.483 9.849 -1.322 1.00 48.97 ? 194 ARG A CD 1 ATOM 1575 N NE . ARG A 1 194 ? 51.121 9.825 -2.736 1.00 50.40 ? 194 ARG A NE 1 ATOM 1576 C CZ . ARG A 1 194 ? 50.125 10.526 -3.267 1.00 52.09 ? 194 ARG A CZ 1 ATOM 1577 N NH1 . ARG A 1 194 ? 49.385 11.316 -2.501 1.00 53.97 ? 194 ARG A NH1 1 ATOM 1578 N NH2 . ARG A 1 194 ? 49.866 10.435 -4.564 1.00 53.25 ? 194 ARG A NH2 1 ATOM 1579 N N . PRO A 1 195 ? 48.467 5.148 -1.374 1.00 46.53 ? 195 PRO A N 1 ATOM 1580 C CA . PRO A 1 195 ? 48.421 3.804 -1.950 1.00 48.72 ? 195 PRO A CA 1 ATOM 1581 C C . PRO A 1 195 ? 49.596 3.635 -2.918 1.00 50.28 ? 195 PRO A C 1 ATOM 1582 O O . PRO A 1 195 ? 50.118 4.620 -3.449 1.00 50.57 ? 195 PRO A O 1 ATOM 1583 C CB . PRO A 1 195 ? 47.058 3.774 -2.640 1.00 48.38 ? 195 PRO A CB 1 ATOM 1584 C CG . PRO A 1 195 ? 46.846 5.209 -3.030 1.00 47.97 ? 195 PRO A CG 1 ATOM 1585 C CD . PRO A 1 195 ? 47.314 5.956 -1.809 1.00 46.48 ? 195 PRO A CD 1 ATOM 1586 N N . GLU A 1 196 ? 50.020 2.392 -3.123 1.00 51.07 ? 196 GLU A N 1 ATOM 1587 C CA . GLU A 1 196 ? 51.135 2.075 -4.016 1.00 51.97 ? 196 GLU A CA 1 ATOM 1588 C C . GLU A 1 196 ? 52.495 2.305 -3.367 1.00 51.62 ? 196 GLU A C 1 ATOM 1589 O O . GLU A 1 196 ? 53.449 2.719 -4.025 1.00 52.49 ? 196 GLU A O 1 ATOM 1590 C CB . GLU A 1 196 ? 51.047 2.889 -5.312 1.00 53.28 ? 196 GLU A CB 1 ATOM 1591 C CG . GLU A 1 196 ? 49.867 2.543 -6.201 1.00 56.29 ? 196 GLU A CG 1 ATOM 1592 C CD . GLU A 1 196 ? 49.829 3.387 -7.462 1.00 58.30 ? 196 GLU A CD 1 ATOM 1593 O OE1 . GLU A 1 196 ? 48.921 3.177 -8.295 1.00 59.36 ? 196 GLU A OE1 1 ATOM 1594 O OE2 . GLU A 1 196 ? 50.709 4.262 -7.620 1.00 59.65 ? 196 GLU A OE2 1 ATOM 1595 N N . ASP A 1 197 ? 52.579 2.029 -2.072 1.00 51.53 ? 197 ASP A N 1 ATOM 1596 C CA . ASP A 1 197 ? 53.822 2.186 -1.330 1.00 52.03 ? 197 ASP A CA 1 ATOM 1597 C C . ASP A 1 197 ? 54.499 3.540 -1.524 1.00 51.21 ? 197 ASP A C 1 ATOM 1598 O O . ASP A 1 197 ? 55.721 3.625 -1.670 1.00 50.04 ? 197 ASP A O 1 ATOM 1599 C CB . ASP A 1 197 ? 54.795 1.064 -1.699 1.00 53.53 ? 197 ASP A CB 1 ATOM 1600 C CG . ASP A 1 197 ? 54.255 -0.311 -1.353 1.00 55.33 ? 197 ASP A CG 1 ATOM 1601 O OD1 . ASP A 1 197 ? 53.800 -0.500 -0.205 1.00 56.38 ? 197 ASP A OD1 1 ATOM 1602 O OD2 . ASP A 1 197 ? 54.292 -1.204 -2.227 1.00 57.02 ? 197 ASP A OD2 1 ATOM 1603 N N . LYS A 1 198 ? 53.695 4.597 -1.531 1.00 50.06 ? 198 LYS A N 1 ATOM 1604 C CA . LYS A 1 198 ? 54.212 5.950 -1.670 1.00 48.37 ? 198 LYS A CA 1 ATOM 1605 C C . LYS A 1 198 ? 53.837 6.715 -0.411 1.00 45.64 ? 198 LYS A C 1 ATOM 1606 O O . LYS A 1 198 ? 52.873 6.366 0.269 1.00 43.69 ? 198 LYS A O 1 ATOM 1607 C CB . LYS A 1 198 ? 53.613 6.642 -2.896 1.00 51.09 ? 198 LYS A CB 1 ATOM 1608 C CG . LYS A 1 198 ? 54.650 7.035 -3.935 1.00 54.53 ? 198 LYS A CG 1 ATOM 1609 C CD . LYS A 1 198 ? 55.286 5.814 -4.574 1.00 57.34 ? 198 LYS A CD 1 ATOM 1610 C CE . LYS A 1 198 ? 54.393 5.244 -5.659 1.00 60.44 ? 198 LYS A CE 1 ATOM 1611 N NZ . LYS A 1 198 ? 52.995 5.061 -5.182 1.00 63.57 ? 198 LYS A NZ 1 ATOM 1612 N N . VAL A 1 199 ? 54.601 7.752 -0.096 1.00 42.80 ? 199 VAL A N 1 ATOM 1613 C CA . VAL A 1 199 ? 54.334 8.548 1.090 1.00 40.94 ? 199 VAL A CA 1 ATOM 1614 C C . VAL A 1 199 ? 54.390 10.044 0.805 1.00 39.40 ? 199 VAL A C 1 ATOM 1615 O O . VAL A 1 199 ? 55.208 10.510 0.012 1.00 39.20 ? 199 VAL A O 1 ATOM 1616 C CB . VAL A 1 199 ? 55.345 8.217 2.214 1.00 41.07 ? 199 VAL A CB 1 ATOM 1617 C CG1 . VAL A 1 199 ? 55.175 9.181 3.373 1.00 41.16 ? 199 VAL A CG1 1 ATOM 1618 C CG2 . VAL A 1 199 ? 55.137 6.788 2.694 1.00 41.67 ? 199 VAL A CG2 1 ATOM 1619 N N . THR A 1 200 ? 53.500 10.791 1.445 1.00 35.91 ? 200 THR A N 1 ATOM 1620 C CA . THR A 1 200 ? 53.483 12.237 1.289 1.00 34.01 ? 200 THR A CA 1 ATOM 1621 C C . THR A 1 200 ? 54.244 12.840 2.461 1.00 32.31 ? 200 THR A C 1 ATOM 1622 O O . THR A 1 200 ? 53.918 12.578 3.620 1.00 32.04 ? 200 THR A O 1 ATOM 1623 C CB . THR A 1 200 ? 52.050 12.798 1.309 1.00 33.70 ? 200 THR A CB 1 ATOM 1624 O OG1 . THR A 1 200 ? 51.363 12.388 0.123 1.00 34.90 ? 200 THR A OG1 1 ATOM 1625 C CG2 . THR A 1 200 ? 52.073 14.317 1.380 1.00 32.57 ? 200 THR A CG2 1 ATOM 1626 N N . LEU A 1 201 ? 55.276 13.617 2.159 1.00 30.32 ? 201 LEU A N 1 ATOM 1627 C CA . LEU A 1 201 ? 56.053 14.281 3.198 1.00 29.25 ? 201 LEU A CA 1 ATOM 1628 C C . LEU A 1 201 ? 55.699 15.757 3.113 1.00 27.60 ? 201 LEU A C 1 ATOM 1629 O O . LEU A 1 201 ? 55.765 16.350 2.040 1.00 27.47 ? 201 LEU A O 1 ATOM 1630 C CB . LEU A 1 201 ? 57.551 14.082 2.967 1.00 29.76 ? 201 LEU A CB 1 ATOM 1631 C CG . LEU A 1 201 ? 58.073 12.656 3.175 1.00 30.91 ? 201 LEU A CG 1 ATOM 1632 C CD1 . LEU A 1 201 ? 59.557 12.601 2.838 1.00 32.70 ? 201 LEU A CD1 1 ATOM 1633 C CD2 . LEU A 1 201 ? 57.837 12.227 4.617 1.00 29.78 ? 201 LEU A CD2 1 ATOM 1634 N N . ARG A 1 202 ? 55.301 16.348 4.234 1.00 28.28 ? 202 ARG A N 1 ATOM 1635 C CA . ARG A 1 202 ? 54.929 17.755 4.231 1.00 26.31 ? 202 ARG A CA 1 ATOM 1636 C C . ARG A 1 202 ? 55.764 18.544 5.221 1.00 26.46 ? 202 ARG A C 1 ATOM 1637 O O . ARG A 1 202 ? 55.827 18.225 6.412 1.00 26.27 ? 202 ARG A O 1 ATOM 1638 C CB . ARG A 1 202 ? 53.433 17.925 4.550 1.00 27.19 ? 202 ARG A CB 1 ATOM 1639 C CG . ARG A 1 202 ? 52.972 19.386 4.549 1.00 28.02 ? 202 ARG A CG 1 ATOM 1640 C CD . ARG A 1 202 ? 51.456 19.536 4.676 1.00 27.62 ? 202 ARG A CD 1 ATOM 1641 N NE . ARG A 1 202 ? 50.747 19.019 3.509 1.00 28.28 ? 202 ARG A NE 1 ATOM 1642 C CZ . ARG A 1 202 ? 50.019 17.904 3.509 1.00 29.96 ? 202 ARG A CZ 1 ATOM 1643 N NH1 . ARG A 1 202 ? 49.410 17.508 2.400 1.00 29.88 ? 202 ARG A NH1 1 ATOM 1644 N NH2 . ARG A 1 202 ? 49.892 17.187 4.618 1.00 29.80 ? 202 ARG A NH2 1 ATOM 1645 N N . CYS A 1 203 ? 56.418 19.578 4.713 1.00 25.23 ? 203 CYS A N 1 ATOM 1646 C CA . CYS A 1 203 ? 57.249 20.426 5.541 1.00 24.67 ? 203 CYS A CA 1 ATOM 1647 C C . CYS A 1 203 ? 56.483 21.687 5.886 1.00 23.62 ? 203 CYS A C 1 ATOM 1648 O O . CYS A 1 203 ? 56.026 22.393 4.997 1.00 21.90 ? 203 CYS A O 1 ATOM 1649 C CB . CYS A 1 203 ? 58.499 20.816 4.789 1.00 26.95 ? 203 CYS A CB 1 ATOM 1650 S SG . CYS A 1 203 ? 59.726 21.651 5.829 1.00 32.75 ? 203 CYS A SG 1 ATOM 1651 N N . TRP A 1 204 ? 56.362 21.969 7.178 1.00 24.54 ? 204 TRP A N 1 ATOM 1652 C CA . TRP A 1 204 ? 55.647 23.145 7.653 1.00 23.88 ? 204 TRP A CA 1 ATOM 1653 C C . TRP A 1 204 ? 56.604 24.192 8.217 1.00 23.63 ? 204 TRP A C 1 ATOM 1654 O O . TRP A 1 204 ? 57.586 23.853 8.876 1.00 21.48 ? 204 TRP A O 1 ATOM 1655 C CB . TRP A 1 204 ? 54.668 22.778 8.778 1.00 23.66 ? 204 TRP A CB 1 ATOM 1656 C CG . TRP A 1 204 ? 53.460 21.986 8.389 1.00 26.16 ? 204 TRP A CG 1 ATOM 1657 C CD1 . TRP A 1 204 ? 53.361 20.623 8.294 1.00 25.21 ? 204 TRP A CD1 1 ATOM 1658 C CD2 . TRP A 1 204 ? 52.154 22.505 8.098 1.00 25.06 ? 204 TRP A CD2 1 ATOM 1659 N NE1 . TRP A 1 204 ? 52.072 20.266 7.968 1.00 25.28 ? 204 TRP A NE1 1 ATOM 1660 C CE2 . TRP A 1 204 ? 51.312 21.400 7.841 1.00 25.67 ? 204 TRP A CE2 1 ATOM 1661 C CE3 . TRP A 1 204 ? 51.615 23.798 8.030 1.00 25.16 ? 204 TRP A CE3 1 ATOM 1662 C CZ2 . TRP A 1 204 ? 49.957 21.548 7.522 1.00 26.83 ? 204 TRP A CZ2 1 ATOM 1663 C CZ3 . TRP A 1 204 ? 50.265 23.946 7.712 1.00 27.18 ? 204 TRP A CZ3 1 ATOM 1664 C CH2 . TRP A 1 204 ? 49.453 22.826 7.461 1.00 27.38 ? 204 TRP A CH2 1 ATOM 1665 N N . ALA A 1 205 ? 56.302 25.461 7.958 1.00 21.40 ? 205 ALA A N 1 ATOM 1666 C CA . ALA A 1 205 ? 57.083 26.579 8.488 1.00 20.92 ? 205 ALA A CA 1 ATOM 1667 C C . ALA A 1 205 ? 56.030 27.441 9.181 1.00 20.57 ? 205 ALA A C 1 ATOM 1668 O O . ALA A 1 205 ? 55.088 27.895 8.534 1.00 19.58 ? 205 ALA A O 1 ATOM 1669 C CB . ALA A 1 205 ? 57.756 27.358 7.361 1.00 18.95 ? 205 ALA A CB 1 ATOM 1670 N N . LEU A 1 206 ? 56.187 27.654 10.487 1.00 21.64 ? 206 LEU A N 1 ATOM 1671 C CA . LEU A 1 206 ? 55.223 28.426 11.270 1.00 22.14 ? 206 LEU A CA 1 ATOM 1672 C C . LEU A 1 206 ? 55.810 29.609 12.049 1.00 22.64 ? 206 LEU A C 1 ATOM 1673 O O . LEU A 1 206 ? 57.014 29.672 12.303 1.00 21.18 ? 206 LEU A O 1 ATOM 1674 C CB . LEU A 1 206 ? 54.530 27.509 12.290 1.00 22.69 ? 206 LEU A CB 1 ATOM 1675 C CG . LEU A 1 206 ? 54.231 26.047 11.927 1.00 24.25 ? 206 LEU A CG 1 ATOM 1676 C CD1 . LEU A 1 206 ? 53.564 25.362 13.116 1.00 26.77 ? 206 LEU A CD1 1 ATOM 1677 C CD2 . LEU A 1 206 ? 53.336 25.971 10.716 1.00 23.73 ? 206 LEU A CD2 1 ATOM 1678 N N . GLY A 1 207 ? 54.917 30.521 12.439 1.00 22.21 ? 207 GLY A N 1 ATOM 1679 C CA . GLY A 1 207 ? 55.260 31.683 13.246 1.00 22.55 ? 207 GLY A CA 1 ATOM 1680 C C . GLY A 1 207 ? 56.333 32.648 12.788 1.00 23.65 ? 207 GLY A C 1 ATOM 1681 O O . GLY A 1 207 ? 57.026 33.229 13.620 1.00 25.70 ? 207 GLY A O 1 ATOM 1682 N N . PHE A 1 208 ? 56.472 32.854 11.485 1.00 23.85 ? 208 PHE A N 1 ATOM 1683 C CA . PHE A 1 208 ? 57.512 33.757 11.015 1.00 24.57 ? 208 PHE A CA 1 ATOM 1684 C C . PHE A 1 208 ? 57.014 35.116 10.519 1.00 24.60 ? 208 PHE A C 1 ATOM 1685 O O . PHE A 1 208 ? 55.831 35.305 10.240 1.00 22.94 ? 208 PHE A O 1 ATOM 1686 C CB . PHE A 1 208 ? 58.347 33.062 9.925 1.00 22.35 ? 208 PHE A CB 1 ATOM 1687 C CG . PHE A 1 208 ? 57.547 32.607 8.731 1.00 23.51 ? 208 PHE A CG 1 ATOM 1688 C CD1 . PHE A 1 208 ? 57.307 33.471 7.663 1.00 21.28 ? 208 PHE A CD1 1 ATOM 1689 C CD2 . PHE A 1 208 ? 57.027 31.312 8.677 1.00 21.44 ? 208 PHE A CD2 1 ATOM 1690 C CE1 . PHE A 1 208 ? 56.562 33.052 6.562 1.00 22.02 ? 208 PHE A CE1 1 ATOM 1691 C CE2 . PHE A 1 208 ? 56.283 30.885 7.587 1.00 21.45 ? 208 PHE A CE2 1 ATOM 1692 C CZ . PHE A 1 208 ? 56.047 31.753 6.524 1.00 22.22 ? 208 PHE A CZ 1 ATOM 1693 N N . TYR A 1 209 ? 57.942 36.063 10.439 1.00 25.63 ? 209 TYR A N 1 ATOM 1694 C CA . TYR A 1 209 ? 57.664 37.414 9.957 1.00 26.50 ? 209 TYR A CA 1 ATOM 1695 C C . TYR A 1 209 ? 59.028 38.022 9.639 1.00 25.54 ? 209 TYR A C 1 ATOM 1696 O O . TYR A 1 209 ? 59.968 37.875 10.416 1.00 25.90 ? 209 TYR A O 1 ATOM 1697 C CB . TYR A 1 209 ? 56.970 38.269 11.027 1.00 25.90 ? 209 TYR A CB 1 ATOM 1698 C CG . TYR A 1 209 ? 56.544 39.635 10.505 1.00 27.95 ? 209 TYR A CG 1 ATOM 1699 C CD1 . TYR A 1 209 ? 55.288 39.822 9.928 1.00 27.26 ? 209 TYR A CD1 1 ATOM 1700 C CD2 . TYR A 1 209 ? 57.428 40.717 10.515 1.00 27.87 ? 209 TYR A CD2 1 ATOM 1701 C CE1 . TYR A 1 209 ? 54.920 41.042 9.370 1.00 27.81 ? 209 TYR A CE1 1 ATOM 1702 C CE2 . TYR A 1 209 ? 57.071 41.948 9.956 1.00 28.01 ? 209 TYR A CE2 1 ATOM 1703 C CZ . TYR A 1 209 ? 55.817 42.100 9.384 1.00 29.69 ? 209 TYR A CZ 1 ATOM 1704 O OH . TYR A 1 209 ? 55.462 43.294 8.803 1.00 27.70 ? 209 TYR A OH 1 ATOM 1705 N N . PRO A 1 210 ? 59.155 38.717 8.501 1.00 25.99 ? 210 PRO A N 1 ATOM 1706 C CA . PRO A 1 210 ? 58.132 38.983 7.488 1.00 24.51 ? 210 PRO A CA 1 ATOM 1707 C C . PRO A 1 210 ? 57.658 37.748 6.723 1.00 25.21 ? 210 PRO A C 1 ATOM 1708 O O . PRO A 1 210 ? 58.136 36.636 6.951 1.00 22.66 ? 210 PRO A O 1 ATOM 1709 C CB . PRO A 1 210 ? 58.807 40.018 6.589 1.00 24.61 ? 210 PRO A CB 1 ATOM 1710 C CG . PRO A 1 210 ? 60.237 39.650 6.679 1.00 24.56 ? 210 PRO A CG 1 ATOM 1711 C CD . PRO A 1 210 ? 60.415 39.400 8.153 1.00 25.79 ? 210 PRO A CD 1 ATOM 1712 N N . ALA A 1 211 ? 56.722 37.965 5.804 1.00 25.01 ? 211 ALA A N 1 ATOM 1713 C CA . ALA A 1 211 ? 56.124 36.896 5.013 1.00 26.23 ? 211 ALA A CA 1 ATOM 1714 C C . ALA A 1 211 ? 57.022 36.183 4.003 1.00 26.81 ? 211 ALA A C 1 ATOM 1715 O O . ALA A 1 211 ? 56.797 35.007 3.711 1.00 26.50 ? 211 ALA A O 1 ATOM 1716 C CB . ALA A 1 211 ? 54.878 37.427 4.304 1.00 22.59 ? 211 ALA A CB 1 ATOM 1717 N N . ASP A 1 212 ? 58.023 36.872 3.457 1.00 27.45 ? 212 ASP A N 1 ATOM 1718 C CA . ASP A 1 212 ? 58.891 36.231 2.471 1.00 27.69 ? 212 ASP A CA 1 ATOM 1719 C C . ASP A 1 212 ? 59.670 35.078 3.082 1.00 25.79 ? 212 ASP A C 1 ATOM 1720 O O . ASP A 1 212 ? 60.265 35.207 4.149 1.00 25.09 ? 212 ASP A O 1 ATOM 1721 C CB . ASP A 1 212 ? 59.871 37.223 1.841 1.00 31.84 ? 212 ASP A CB 1 ATOM 1722 C CG . ASP A 1 212 ? 60.665 36.597 0.700 1.00 34.89 ? 212 ASP A CG 1 ATOM 1723 O OD1 . ASP A 1 212 ? 60.033 36.102 -0.262 1.00 32.81 ? 212 ASP A OD1 1 ATOM 1724 O OD2 . ASP A 1 212 ? 61.914 36.585 0.766 1.00 38.41 ? 212 ASP A OD2 1 ATOM 1725 N N . ILE A 1 213 ? 59.669 33.949 2.387 1.00 25.67 ? 213 ILE A N 1 ATOM 1726 C CA . ILE A 1 213 ? 60.351 32.764 2.872 1.00 24.82 ? 213 ILE A CA 1 ATOM 1727 C C . ILE A 1 213 ? 60.511 31.772 1.725 1.00 25.17 ? 213 ILE A C 1 ATOM 1728 O O . ILE A 1 213 ? 59.766 31.808 0.747 1.00 24.00 ? 213 ILE A O 1 ATOM 1729 C CB . ILE A 1 213 ? 59.524 32.096 4.001 1.00 26.13 ? 213 ILE A CB 1 ATOM 1730 C CG1 . ILE A 1 213 ? 60.343 31.018 4.714 1.00 24.86 ? 213 ILE A CG1 1 ATOM 1731 C CG2 . ILE A 1 213 ? 58.271 31.461 3.416 1.00 25.90 ? 213 ILE A CG2 1 ATOM 1732 C CD1 . ILE A 1 213 ? 59.637 30.449 5.939 1.00 26.17 ? 213 ILE A CD1 1 ATOM 1733 N N . THR A 1 214 ? 61.491 30.889 1.850 1.00 25.91 ? 214 THR A N 1 ATOM 1734 C CA . THR A 1 214 ? 61.706 29.876 0.839 1.00 26.95 ? 214 THR A CA 1 ATOM 1735 C C . THR A 1 214 ? 61.688 28.496 1.496 1.00 27.53 ? 214 THR A C 1 ATOM 1736 O O . THR A 1 214 ? 62.349 28.265 2.514 1.00 25.92 ? 214 THR A O 1 ATOM 1737 C CB . THR A 1 214 ? 63.049 30.070 0.100 1.00 27.50 ? 214 THR A CB 1 ATOM 1738 O OG1 . THR A 1 214 ? 63.057 31.342 -0.564 1.00 23.90 ? 214 THR A OG1 1 ATOM 1739 C CG2 . THR A 1 214 ? 63.238 28.974 -0.943 1.00 27.68 ? 214 THR A CG2 1 ATOM 1740 N N . LEU A 1 215 ? 60.899 27.599 0.912 1.00 27.93 ? 215 LEU A N 1 ATOM 1741 C CA . LEU A 1 215 ? 60.779 26.223 1.378 1.00 28.87 ? 215 LEU A CA 1 ATOM 1742 C C . LEU A 1 215 ? 61.091 25.333 0.193 1.00 28.86 ? 215 LEU A C 1 ATOM 1743 O O . LEU A 1 215 ? 60.483 25.484 -0.863 1.00 29.75 ? 215 LEU A O 1 ATOM 1744 C CB . LEU A 1 215 ? 59.356 25.911 1.836 1.00 29.29 ? 215 LEU A CB 1 ATOM 1745 C CG . LEU A 1 215 ? 58.826 26.393 3.179 1.00 29.69 ? 215 LEU A CG 1 ATOM 1746 C CD1 . LEU A 1 215 ? 57.487 25.698 3.442 1.00 29.07 ? 215 LEU A CD1 1 ATOM 1747 C CD2 . LEU A 1 215 ? 59.809 26.069 4.276 1.00 30.87 ? 215 LEU A CD2 1 ATOM 1748 N N . THR A 1 216 ? 62.031 24.408 0.360 1.00 28.14 ? 216 THR A N 1 ATOM 1749 C CA . THR A 1 216 ? 62.388 23.507 -0.730 1.00 28.77 ? 216 THR A CA 1 ATOM 1750 C C . THR A 1 216 ? 62.601 22.088 -0.217 1.00 29.01 ? 216 THR A C 1 ATOM 1751 O O . THR A 1 216 ? 62.901 21.879 0.959 1.00 28.17 ? 216 THR A O 1 ATOM 1752 C CB . THR A 1 216 ? 63.699 23.936 -1.410 1.00 30.39 ? 216 THR A CB 1 ATOM 1753 O OG1 . THR A 1 216 ? 64.794 23.688 -0.517 1.00 29.50 ? 216 THR A OG1 1 ATOM 1754 C CG2 . THR A 1 216 ? 63.667 25.417 -1.763 1.00 29.42 ? 216 THR A CG2 1 ATOM 1755 N N . TRP A 1 217 ? 62.433 21.114 -1.101 1.00 28.39 ? 217 TRP A N 1 ATOM 1756 C CA . TRP A 1 217 ? 62.669 19.724 -0.739 1.00 30.26 ? 217 TRP A CA 1 ATOM 1757 C C . TRP A 1 217 ? 63.867 19.254 -1.559 1.00 31.49 ? 217 TRP A C 1 ATOM 1758 O O . TRP A 1 217 ? 63.961 19.545 -2.747 1.00 31.56 ? 217 TRP A O 1 ATOM 1759 C CB . TRP A 1 217 ? 61.451 18.857 -1.052 1.00 27.53 ? 217 TRP A CB 1 ATOM 1760 C CG . TRP A 1 217 ? 60.463 18.764 0.067 1.00 26.86 ? 217 TRP A CG 1 ATOM 1761 C CD1 . TRP A 1 217 ? 59.249 19.388 0.147 1.00 26.83 ? 217 TRP A CD1 1 ATOM 1762 C CD2 . TRP A 1 217 ? 60.582 17.965 1.247 1.00 26.35 ? 217 TRP A CD2 1 ATOM 1763 N NE1 . TRP A 1 217 ? 58.603 19.020 1.302 1.00 26.42 ? 217 TRP A NE1 1 ATOM 1764 C CE2 . TRP A 1 217 ? 59.398 18.147 1.996 1.00 26.49 ? 217 TRP A CE2 1 ATOM 1765 C CE3 . TRP A 1 217 ? 61.573 17.109 1.745 1.00 24.87 ? 217 TRP A CE3 1 ATOM 1766 C CZ2 . TRP A 1 217 ? 59.177 17.502 3.219 1.00 25.95 ? 217 TRP A CZ2 1 ATOM 1767 C CZ3 . TRP A 1 217 ? 61.354 16.468 2.960 1.00 26.22 ? 217 TRP A CZ3 1 ATOM 1768 C CH2 . TRP A 1 217 ? 60.163 16.669 3.682 1.00 25.80 ? 217 TRP A CH2 1 ATOM 1769 N N . GLN A 1 218 ? 64.785 18.535 -0.925 1.00 33.70 ? 218 GLN A N 1 ATOM 1770 C CA . GLN A 1 218 ? 65.970 18.060 -1.624 1.00 36.61 ? 218 GLN A CA 1 ATOM 1771 C C . GLN A 1 218 ? 66.179 16.554 -1.592 1.00 39.58 ? 218 GLN A C 1 ATOM 1772 O O . GLN A 1 218 ? 65.731 15.864 -0.679 1.00 40.16 ? 218 GLN A O 1 ATOM 1773 C CB . GLN A 1 218 ? 67.221 18.734 -1.057 1.00 36.39 ? 218 GLN A CB 1 ATOM 1774 C CG . GLN A 1 218 ? 67.561 20.073 -1.684 1.00 37.33 ? 218 GLN A CG 1 ATOM 1775 C CD . GLN A 1 218 ? 68.807 20.687 -1.073 1.00 38.87 ? 218 GLN A CD 1 ATOM 1776 O OE1 . GLN A 1 218 ? 69.800 19.994 -0.835 1.00 39.83 ? 218 GLN A OE1 1 ATOM 1777 N NE2 . GLN A 1 218 ? 68.765 21.987 -0.820 1.00 36.39 ? 218 GLN A NE2 1 ATOM 1778 N N . LEU A 1 219 ? 66.878 16.066 -2.612 1.00 42.59 ? 219 LEU A N 1 ATOM 1779 C CA . LEU A 1 219 ? 67.222 14.657 -2.748 1.00 44.75 ? 219 LEU A CA 1 ATOM 1780 C C . LEU A 1 219 ? 68.604 14.607 -3.384 1.00 46.22 ? 219 LEU A C 1 ATOM 1781 O O . LEU A 1 219 ? 68.764 14.934 -4.560 1.00 47.03 ? 219 LEU A O 1 ATOM 1782 C CB . LEU A 1 219 ? 66.225 13.934 -3.651 1.00 42.93 ? 219 LEU A CB 1 ATOM 1783 C CG . LEU A 1 219 ? 66.613 12.492 -3.996 1.00 43.04 ? 219 LEU A CG 1 ATOM 1784 C CD1 . LEU A 1 219 ? 66.608 11.638 -2.732 1.00 42.36 ? 219 LEU A CD1 1 ATOM 1785 C CD2 . LEU A 1 219 ? 65.644 11.936 -5.024 1.00 42.92 ? 219 LEU A CD2 1 ATOM 1786 N N . ASN A 1 220 ? 69.601 14.210 -2.603 1.00 48.58 ? 220 ASN A N 1 ATOM 1787 C CA . ASN A 1 220 ? 70.968 14.133 -3.100 1.00 51.11 ? 220 ASN A CA 1 ATOM 1788 C C . ASN A 1 220 ? 71.450 15.521 -3.526 1.00 52.28 ? 220 ASN A C 1 ATOM 1789 O O . ASN A 1 220 ? 72.054 15.681 -4.588 1.00 51.50 ? 220 ASN A O 1 ATOM 1790 C CB . ASN A 1 220 ? 71.051 13.168 -4.290 1.00 53.32 ? 220 ASN A CB 1 ATOM 1791 C CG . ASN A 1 220 ? 70.506 11.784 -3.965 1.00 55.79 ? 220 ASN A CG 1 ATOM 1792 O OD1 . ASN A 1 220 ? 70.852 11.188 -2.943 1.00 56.43 ? 220 ASN A OD1 1 ATOM 1793 N ND2 . ASN A 1 220 ? 69.655 11.262 -4.843 1.00 56.31 ? 220 ASN A ND2 1 ATOM 1794 N N . GLY A 1 221 ? 71.169 16.521 -2.694 1.00 53.03 ? 221 GLY A N 1 ATOM 1795 C CA . GLY A 1 221 ? 71.587 17.880 -2.992 1.00 54.09 ? 221 GLY A CA 1 ATOM 1796 C C . GLY A 1 221 ? 70.887 18.490 -4.193 1.00 55.16 ? 221 GLY A C 1 ATOM 1797 O O . GLY A 1 221 ? 71.317 19.518 -4.717 1.00 54.47 ? 221 GLY A O 1 ATOM 1798 N N . GLU A 1 222 ? 69.800 17.864 -4.627 1.00 56.10 ? 222 GLU A N 1 ATOM 1799 C CA . GLU A 1 222 ? 69.053 18.356 -5.777 1.00 57.32 ? 222 GLU A CA 1 ATOM 1800 C C . GLU A 1 222 ? 67.671 18.845 -5.349 1.00 57.15 ? 222 GLU A C 1 ATOM 1801 O O . GLU A 1 222 ? 66.951 18.147 -4.632 1.00 56.99 ? 222 GLU A O 1 ATOM 1802 C CB . GLU A 1 222 ? 68.904 17.238 -6.812 1.00 59.55 ? 222 GLU A CB 1 ATOM 1803 C CG . GLU A 1 222 ? 70.163 16.404 -7.006 1.00 63.03 ? 222 GLU A CG 1 ATOM 1804 C CD . GLU A 1 222 ? 69.932 15.188 -7.885 1.00 64.60 ? 222 GLU A CD 1 ATOM 1805 O OE1 . GLU A 1 222 ? 68.966 14.437 -7.622 1.00 65.80 ? 222 GLU A OE1 1 ATOM 1806 O OE2 . GLU A 1 222 ? 70.720 14.979 -8.832 1.00 64.67 ? 222 GLU A OE2 1 ATOM 1807 N N . GLU A 1 223 ? 67.305 20.046 -5.782 1.00 56.19 ? 223 GLU A N 1 ATOM 1808 C CA . GLU A 1 223 ? 66.000 20.601 -5.447 1.00 56.42 ? 223 GLU A CA 1 ATOM 1809 C C . GLU A 1 223 ? 64.914 19.967 -6.309 1.00 57.04 ? 223 GLU A C 1 ATOM 1810 O O . GLU A 1 223 ? 65.061 19.852 -7.526 1.00 56.16 ? 223 GLU A O 1 ATOM 1811 C CB . GLU A 1 223 ? 66.001 22.120 -5.631 1.00 55.47 ? 223 GLU A CB 1 ATOM 1812 C CG . GLU A 1 223 ? 66.510 22.877 -4.414 1.00 54.34 ? 223 GLU A CG 1 ATOM 1813 C CD . GLU A 1 223 ? 66.520 24.381 -4.615 1.00 54.87 ? 223 GLU A CD 1 ATOM 1814 O OE1 . GLU A 1 223 ? 65.608 24.898 -5.295 1.00 54.37 ? 223 GLU A OE1 1 ATOM 1815 O OE2 . GLU A 1 223 ? 67.430 25.048 -4.078 1.00 53.15 ? 223 GLU A OE2 1 ATOM 1816 N N . LEU A 1 224 ? 63.824 19.554 -5.668 1.00 58.11 ? 224 LEU A N 1 ATOM 1817 C CA . LEU A 1 224 ? 62.714 18.918 -6.367 1.00 58.79 ? 224 LEU A CA 1 ATOM 1818 C C . LEU A 1 224 ? 61.579 19.906 -6.590 1.00 60.26 ? 224 LEU A C 1 ATOM 1819 O O . LEU A 1 224 ? 60.410 19.528 -6.570 1.00 61.28 ? 224 LEU A O 1 ATOM 1820 C CB . LEU A 1 224 ? 62.189 17.733 -5.554 1.00 57.04 ? 224 LEU A CB 1 ATOM 1821 C CG . LEU A 1 224 ? 63.216 16.758 -4.975 1.00 56.40 ? 224 LEU A CG 1 ATOM 1822 C CD1 . LEU A 1 224 ? 62.488 15.678 -4.196 1.00 55.40 ? 224 LEU A CD1 1 ATOM 1823 C CD2 . LEU A 1 224 ? 64.051 16.150 -6.089 1.00 56.03 ? 224 LEU A CD2 1 ATOM 1824 N N . ILE A 1 225 ? 61.927 21.172 -6.797 1.00 62.21 ? 225 ILE A N 1 ATOM 1825 C CA . ILE A 1 225 ? 60.930 22.218 -7.019 1.00 64.06 ? 225 ILE A CA 1 ATOM 1826 C C . ILE A 1 225 ? 59.841 21.814 -8.020 1.00 65.24 ? 225 ILE A C 1 ATOM 1827 O O . ILE A 1 225 ? 58.752 22.387 -8.024 1.00 65.21 ? 225 ILE A O 1 ATOM 1828 C CB . ILE A 1 225 ? 61.618 23.540 -7.483 1.00 64.49 ? 225 ILE A CB 1 ATOM 1829 C CG1 . ILE A 1 225 ? 62.095 24.339 -6.265 1.00 64.92 ? 225 ILE A CG1 1 ATOM 1830 C CG2 . ILE A 1 225 ? 60.653 24.398 -8.290 1.00 65.32 ? 225 ILE A CG2 1 ATOM 1831 C CD1 . ILE A 1 225 ? 63.012 23.582 -5.327 1.00 65.76 ? 225 ILE A CD1 1 ATOM 1832 N N . GLN A 1 226 ? 60.128 20.815 -8.850 1.00 66.46 ? 226 GLN A N 1 ATOM 1833 C CA . GLN A 1 226 ? 59.170 20.357 -9.850 1.00 67.74 ? 226 GLN A CA 1 ATOM 1834 C C . GLN A 1 226 ? 57.985 19.566 -9.298 1.00 66.97 ? 226 GLN A C 1 ATOM 1835 O O . GLN A 1 226 ? 56.836 19.986 -9.436 1.00 67.67 ? 226 GLN A O 1 ATOM 1836 C CB . GLN A 1 226 ? 59.879 19.508 -10.908 1.00 70.48 ? 226 GLN A CB 1 ATOM 1837 C CG . GLN A 1 226 ? 58.934 18.917 -11.949 1.00 73.33 ? 226 GLN A CG 1 ATOM 1838 C CD . GLN A 1 226 ? 59.632 17.965 -12.898 1.00 74.87 ? 226 GLN A CD 1 ATOM 1839 O OE1 . GLN A 1 226 ? 60.555 18.352 -13.615 1.00 75.69 ? 226 GLN A OE1 1 ATOM 1840 N NE2 . GLN A 1 226 ? 59.195 16.709 -12.906 1.00 75.62 ? 226 GLN A NE2 1 ATOM 1841 N N . ASP A 1 227 ? 58.264 18.419 -8.685 1.00 65.74 ? 227 ASP A N 1 ATOM 1842 C CA . ASP A 1 227 ? 57.209 17.563 -8.142 1.00 64.90 ? 227 ASP A CA 1 ATOM 1843 C C . ASP A 1 227 ? 56.809 17.951 -6.723 1.00 63.13 ? 227 ASP A C 1 ATOM 1844 O O . ASP A 1 227 ? 56.353 17.119 -5.938 1.00 63.53 ? 227 ASP A O 1 ATOM 1845 C CB . ASP A 1 227 ? 57.670 16.107 -8.163 1.00 65.99 ? 227 ASP A CB 1 ATOM 1846 C CG . ASP A 1 227 ? 58.287 15.718 -9.489 1.00 67.66 ? 227 ASP A CG 1 ATOM 1847 O OD1 . ASP A 1 227 ? 59.385 16.229 -9.802 1.00 67.97 ? 227 ASP A OD1 1 ATOM 1848 O OD2 . ASP A 1 227 ? 57.673 14.913 -10.222 1.00 68.46 ? 227 ASP A OD2 1 ATOM 1849 N N . MET A 1 228 ? 56.963 19.229 -6.410 1.00 60.66 ? 228 MET A N 1 ATOM 1850 C CA . MET A 1 228 ? 56.648 19.735 -5.088 1.00 57.66 ? 228 MET A CA 1 ATOM 1851 C C . MET A 1 228 ? 55.310 20.466 -5.081 1.00 55.10 ? 228 MET A C 1 ATOM 1852 O O . MET A 1 228 ? 55.025 21.259 -5.978 1.00 55.16 ? 228 MET A O 1 ATOM 1853 C CB . MET A 1 228 ? 57.774 20.673 -4.646 1.00 58.66 ? 228 MET A CB 1 ATOM 1854 C CG . MET A 1 228 ? 57.701 21.155 -3.220 1.00 59.05 ? 228 MET A CG 1 ATOM 1855 S SD . MET A 1 228 ? 59.229 22.000 -2.787 1.00 60.40 ? 228 MET A SD 1 ATOM 1856 C CE . MET A 1 228 ? 58.839 23.686 -3.269 1.00 60.01 ? 228 MET A CE 1 ATOM 1857 N N . GLU A 1 229 ? 54.484 20.177 -4.080 1.00 51.29 ? 229 GLU A N 1 ATOM 1858 C CA . GLU A 1 229 ? 53.186 20.829 -3.941 1.00 47.57 ? 229 GLU A CA 1 ATOM 1859 C C . GLU A 1 229 ? 53.280 21.793 -2.764 1.00 45.21 ? 229 GLU A C 1 ATOM 1860 O O . GLU A 1 229 ? 54.045 21.554 -1.829 1.00 42.37 ? 229 GLU A O 1 ATOM 1861 C CB . GLU A 1 229 ? 52.085 19.799 -3.686 1.00 49.04 ? 229 GLU A CB 1 ATOM 1862 C CG . GLU A 1 229 ? 50.717 20.412 -3.424 1.00 51.17 ? 229 GLU A CG 1 ATOM 1863 C CD . GLU A 1 229 ? 49.609 19.376 -3.334 1.00 53.38 ? 229 GLU A CD 1 ATOM 1864 O OE1 . GLU A 1 229 ? 48.473 19.751 -2.973 1.00 52.60 ? 229 GLU A OE1 1 ATOM 1865 O OE2 . GLU A 1 229 ? 49.868 18.188 -3.629 1.00 55.16 ? 229 GLU A OE2 1 ATOM 1866 N N . LEU A 1 230 ? 52.511 22.878 -2.805 1.00 42.34 ? 230 LEU A N 1 ATOM 1867 C CA . LEU A 1 230 ? 52.557 23.858 -1.723 1.00 41.26 ? 230 LEU A CA 1 ATOM 1868 C C . LEU A 1 230 ? 51.412 24.869 -1.749 1.00 38.56 ? 230 LEU A C 1 ATOM 1869 O O . LEU A 1 230 ? 50.591 24.882 -2.672 1.00 38.75 ? 230 LEU A O 1 ATOM 1870 C CB . LEU A 1 230 ? 53.890 24.612 -1.768 1.00 41.97 ? 230 LEU A CB 1 ATOM 1871 C CG . LEU A 1 230 ? 54.097 25.636 -2.888 1.00 43.90 ? 230 LEU A CG 1 ATOM 1872 C CD1 . LEU A 1 230 ? 55.549 26.097 -2.880 1.00 45.40 ? 230 LEU A CD1 1 ATOM 1873 C CD2 . LEU A 1 230 ? 53.756 25.029 -4.233 1.00 46.72 ? 230 LEU A CD2 1 ATOM 1874 N N . VAL A 1 231 ? 51.364 25.709 -0.720 1.00 32.85 ? 231 VAL A N 1 ATOM 1875 C CA . VAL A 1 231 ? 50.346 26.746 -0.618 1.00 29.19 ? 231 VAL A CA 1 ATOM 1876 C C . VAL A 1 231 ? 51.027 28.106 -0.560 1.00 29.26 ? 231 VAL A C 1 ATOM 1877 O O . VAL A 1 231 ? 52.180 28.218 -0.133 1.00 27.55 ? 231 VAL A O 1 ATOM 1878 C CB . VAL A 1 231 ? 49.489 26.590 0.658 1.00 28.45 ? 231 VAL A CB 1 ATOM 1879 C CG1 . VAL A 1 231 ? 48.620 25.339 0.559 1.00 27.53 ? 231 VAL A CG1 1 ATOM 1880 C CG2 . VAL A 1 231 ? 50.395 26.513 1.886 1.00 26.10 ? 231 VAL A CG2 1 ATOM 1881 N N . GLU A 1 232 ? 50.321 29.139 -1.006 1.00 26.98 ? 232 GLU A N 1 ATOM 1882 C CA . GLU A 1 232 ? 50.873 30.482 -0.955 1.00 26.67 ? 232 GLU A CA 1 ATOM 1883 C C . GLU A 1 232 ? 51.045 30.804 0.525 1.00 25.45 ? 232 GLU A C 1 ATOM 1884 O O . GLU A 1 232 ? 50.254 30.361 1.361 1.00 25.65 ? 232 GLU A O 1 ATOM 1885 C CB . GLU A 1 232 ? 49.908 31.486 -1.600 1.00 27.95 ? 232 GLU A CB 1 ATOM 1886 C CG . GLU A 1 232 ? 49.632 31.221 -3.083 1.00 32.12 ? 232 GLU A CG 1 ATOM 1887 C CD . GLU A 1 232 ? 48.667 32.225 -3.705 1.00 35.07 ? 232 GLU A CD 1 ATOM 1888 O OE1 . GLU A 1 232 ? 47.471 32.228 -3.342 1.00 37.06 ? 232 GLU A OE1 1 ATOM 1889 O OE2 . GLU A 1 232 ? 49.107 33.018 -4.562 1.00 37.77 ? 232 GLU A OE2 1 ATOM 1890 N N . THR A 1 233 ? 52.090 31.547 0.857 1.00 23.81 ? 233 THR A N 1 ATOM 1891 C CA . THR A 1 233 ? 52.317 31.930 2.238 1.00 22.78 ? 233 THR A CA 1 ATOM 1892 C C . THR A 1 233 ? 51.022 32.579 2.713 1.00 22.96 ? 233 THR A C 1 ATOM 1893 O O . THR A 1 233 ? 50.341 33.267 1.948 1.00 20.01 ? 233 THR A O 1 ATOM 1894 C CB . THR A 1 233 ? 53.503 32.891 2.336 1.00 24.69 ? 233 THR A CB 1 ATOM 1895 O OG1 . THR A 1 233 ? 54.680 32.192 1.913 1.00 24.29 ? 233 THR A OG1 1 ATOM 1896 C CG2 . THR A 1 233 ? 53.690 33.393 3.776 1.00 23.06 ? 233 THR A CG2 1 ATOM 1897 N N . ARG A 1 234 ? 50.672 32.348 3.970 1.00 22.32 ? 234 ARG A N 1 ATOM 1898 C CA . ARG A 1 234 ? 49.415 32.856 4.484 1.00 22.91 ? 234 ARG A CA 1 ATOM 1899 C C . ARG A 1 234 ? 49.476 33.340 5.923 1.00 23.57 ? 234 ARG A C 1 ATOM 1900 O O . ARG A 1 234 ? 50.229 32.803 6.737 1.00 23.67 ? 234 ARG A O 1 ATOM 1901 C CB . ARG A 1 234 ? 48.358 31.755 4.354 1.00 22.68 ? 234 ARG A CB 1 ATOM 1902 C CG . ARG A 1 234 ? 48.761 30.445 5.042 1.00 20.97 ? 234 ARG A CG 1 ATOM 1903 C CD . ARG A 1 234 ? 47.905 29.270 4.563 1.00 22.55 ? 234 ARG A CD 1 ATOM 1904 N NE . ARG A 1 234 ? 48.125 28.070 5.369 1.00 21.98 ? 234 ARG A NE 1 ATOM 1905 C CZ . ARG A 1 234 ? 47.629 26.870 5.074 1.00 22.34 ? 234 ARG A CZ 1 ATOM 1906 N NH1 . ARG A 1 234 ? 46.885 26.707 3.991 1.00 19.70 ? 234 ARG A NH1 1 ATOM 1907 N NH2 . ARG A 1 234 ? 47.871 25.833 5.865 1.00 21.65 ? 234 ARG A NH2 1 ATOM 1908 N N . PRO A 1 235 ? 48.666 34.367 6.252 1.00 23.36 ? 235 PRO A N 1 ATOM 1909 C CA . PRO A 1 235 ? 48.584 34.967 7.587 1.00 22.19 ? 235 PRO A CA 1 ATOM 1910 C C . PRO A 1 235 ? 47.975 33.979 8.576 1.00 23.22 ? 235 PRO A C 1 ATOM 1911 O O . PRO A 1 235 ? 47.043 33.240 8.238 1.00 22.39 ? 235 PRO A O 1 ATOM 1912 C CB . PRO A 1 235 ? 47.702 36.193 7.358 1.00 22.26 ? 235 PRO A CB 1 ATOM 1913 C CG . PRO A 1 235 ? 46.768 35.720 6.283 1.00 22.74 ? 235 PRO A CG 1 ATOM 1914 C CD . PRO A 1 235 ? 47.713 35.011 5.329 1.00 21.76 ? 235 PRO A CD 1 ATOM 1915 N N . ALA A 1 236 ? 48.494 33.974 9.799 1.00 23.20 ? 236 ALA A N 1 ATOM 1916 C CA . ALA A 1 236 ? 48.019 33.042 10.814 1.00 24.86 ? 236 ALA A CA 1 ATOM 1917 C C . ALA A 1 236 ? 47.126 33.655 11.885 1.00 24.73 ? 236 ALA A C 1 ATOM 1918 O O . ALA A 1 236 ? 46.899 33.041 12.922 1.00 26.08 ? 236 ALA A O 1 ATOM 1919 C CB . ALA A 1 236 ? 49.208 32.348 11.463 1.00 26.12 ? 236 ALA A CB 1 ATOM 1920 N N . GLY A 1 237 ? 46.642 34.870 11.651 1.00 24.60 ? 237 GLY A N 1 ATOM 1921 C CA . GLY A 1 237 ? 45.748 35.498 12.612 1.00 24.95 ? 237 GLY A CA 1 ATOM 1922 C C . GLY A 1 237 ? 46.337 36.333 13.738 1.00 25.13 ? 237 GLY A C 1 ATOM 1923 O O . GLY A 1 237 ? 45.592 36.972 14.484 1.00 25.03 ? 237 GLY A O 1 ATOM 1924 N N . ASP A 1 238 ? 47.658 36.345 13.873 1.00 24.61 ? 238 ASP A N 1 ATOM 1925 C CA . ASP A 1 238 ? 48.289 37.117 14.939 1.00 24.77 ? 238 ASP A CA 1 ATOM 1926 C C . ASP A 1 238 ? 49.437 37.989 14.431 1.00 24.07 ? 238 ASP A C 1 ATOM 1927 O O . ASP A 1 238 ? 50.296 38.397 15.204 1.00 24.47 ? 238 ASP A O 1 ATOM 1928 C CB . ASP A 1 238 ? 48.812 36.169 16.016 1.00 24.51 ? 238 ASP A CB 1 ATOM 1929 C CG . ASP A 1 238 ? 49.925 35.281 15.503 1.00 23.56 ? 238 ASP A CG 1 ATOM 1930 O OD1 . ASP A 1 238 ? 50.135 35.261 14.275 1.00 24.89 ? 238 ASP A OD1 1 ATOM 1931 O OD2 . ASP A 1 238 ? 50.584 34.604 16.316 1.00 26.91 ? 238 ASP A OD2 1 ATOM 1932 N N . GLY A 1 239 ? 49.450 38.268 13.134 1.00 23.22 ? 239 GLY A N 1 ATOM 1933 C CA . GLY A 1 239 ? 50.507 39.091 12.579 1.00 23.71 ? 239 GLY A CA 1 ATOM 1934 C C . GLY A 1 239 ? 51.682 38.300 12.033 1.00 25.27 ? 239 GLY A C 1 ATOM 1935 O O . GLY A 1 239 ? 52.654 38.895 11.562 1.00 23.95 ? 239 GLY A O 1 ATOM 1936 N N . THR A 1 240 ? 51.619 36.969 12.118 1.00 23.81 ? 240 THR A N 1 ATOM 1937 C CA . THR A 1 240 ? 52.687 36.128 11.586 1.00 22.50 ? 240 THR A CA 1 ATOM 1938 C C . THR A 1 240 ? 52.134 35.328 10.417 1.00 22.24 ? 240 THR A C 1 ATOM 1939 O O . THR A 1 240 ? 50.933 35.382 10.130 1.00 20.78 ? 240 THR A O 1 ATOM 1940 C CB . THR A 1 240 ? 53.274 35.138 12.643 1.00 22.72 ? 240 THR A CB 1 ATOM 1941 O OG1 . THR A 1 240 ? 52.261 34.213 13.066 1.00 19.95 ? 240 THR A OG1 1 ATOM 1942 C CG2 . THR A 1 240 ? 53.821 35.903 13.850 1.00 19.74 ? 240 THR A CG2 1 ATOM 1943 N N . PHE A 1 241 ? 53.010 34.585 9.745 1.00 21.17 ? 241 PHE A N 1 ATOM 1944 C CA . PHE A 1 241 ? 52.605 33.798 8.588 1.00 20.97 ? 241 PHE A CA 1 ATOM 1945 C C . PHE A 1 241 ? 53.078 32.347 8.668 1.00 20.47 ? 241 PHE A C 1 ATOM 1946 O O . PHE A 1 241 ? 53.907 31.994 9.505 1.00 19.84 ? 241 PHE A O 1 ATOM 1947 C CB . PHE A 1 241 ? 53.152 34.442 7.309 1.00 22.74 ? 241 PHE A CB 1 ATOM 1948 C CG . PHE A 1 241 ? 52.751 35.884 7.131 1.00 24.23 ? 241 PHE A CG 1 ATOM 1949 C CD1 . PHE A 1 241 ? 53.394 36.895 7.839 1.00 23.45 ? 241 PHE A CD1 1 ATOM 1950 C CD2 . PHE A 1 241 ? 51.719 36.230 6.258 1.00 25.80 ? 241 PHE A CD2 1 ATOM 1951 C CE1 . PHE A 1 241 ? 53.014 38.238 7.680 1.00 24.16 ? 241 PHE A CE1 1 ATOM 1952 C CE2 . PHE A 1 241 ? 51.334 37.564 6.094 1.00 25.07 ? 241 PHE A CE2 1 ATOM 1953 C CZ . PHE A 1 241 ? 51.986 38.568 6.808 1.00 22.57 ? 241 PHE A CZ 1 ATOM 1954 N N . GLN A 1 242 ? 52.538 31.507 7.797 1.00 20.96 ? 242 GLN A N 1 ATOM 1955 C CA . GLN A 1 242 ? 52.923 30.104 7.757 1.00 21.72 ? 242 GLN A CA 1 ATOM 1956 C C . GLN A 1 242 ? 52.886 29.638 6.309 1.00 22.14 ? 242 GLN A C 1 ATOM 1957 O O . GLN A 1 242 ? 52.367 30.339 5.433 1.00 21.83 ? 242 GLN A O 1 ATOM 1958 C CB . GLN A 1 242 ? 51.982 29.240 8.613 1.00 20.14 ? 242 GLN A CB 1 ATOM 1959 C CG . GLN A 1 242 ? 50.582 29.087 8.055 1.00 22.80 ? 242 GLN A CG 1 ATOM 1960 C CD . GLN A 1 242 ? 49.812 27.912 8.666 1.00 21.70 ? 242 GLN A CD 1 ATOM 1961 O OE1 . GLN A 1 242 ? 49.067 27.220 7.968 1.00 23.38 ? 242 GLN A OE1 1 ATOM 1962 N NE2 . GLN A 1 242 ? 49.979 27.697 9.968 1.00 21.98 ? 242 GLN A NE2 1 ATOM 1963 N N . LYS A 1 243 ? 53.438 28.453 6.063 1.00 22.10 ? 243 LYS A N 1 ATOM 1964 C CA . LYS A 1 243 ? 53.483 27.897 4.724 1.00 21.68 ? 243 LYS A CA 1 ATOM 1965 C C . LYS A 1 243 ? 53.860 26.423 4.805 1.00 22.71 ? 243 LYS A C 1 ATOM 1966 O O . LYS A 1 243 ? 54.420 25.978 5.802 1.00 23.10 ? 243 LYS A O 1 ATOM 1967 C CB . LYS A 1 243 ? 54.546 28.643 3.911 1.00 21.53 ? 243 LYS A CB 1 ATOM 1968 C CG . LYS A 1 243 ? 54.564 28.363 2.412 1.00 21.89 ? 243 LYS A CG 1 ATOM 1969 C CD . LYS A 1 243 ? 55.749 29.076 1.765 1.00 19.97 ? 243 LYS A CD 1 ATOM 1970 C CE . LYS A 1 243 ? 55.727 28.981 0.247 1.00 23.95 ? 243 LYS A CE 1 ATOM 1971 N NZ . LYS A 1 243 ? 54.653 29.819 -0.350 1.00 25.66 ? 243 LYS A NZ 1 ATOM 1972 N N . TRP A 1 244 ? 53.524 25.659 3.775 1.00 22.21 ? 244 TRP A N 1 ATOM 1973 C CA . TRP A 1 244 ? 53.934 24.264 3.741 1.00 25.53 ? 244 TRP A CA 1 ATOM 1974 C C . TRP A 1 244 ? 54.225 23.853 2.308 1.00 26.05 ? 244 TRP A C 1 ATOM 1975 O O . TRP A 1 244 ? 53.680 24.429 1.363 1.00 25.40 ? 244 TRP A O 1 ATOM 1976 C CB . TRP A 1 244 ? 52.897 23.316 4.381 1.00 24.86 ? 244 TRP A CB 1 ATOM 1977 C CG . TRP A 1 244 ? 51.549 23.206 3.717 1.00 26.66 ? 244 TRP A CG 1 ATOM 1978 C CD1 . TRP A 1 244 ? 50.377 23.759 4.153 1.00 27.76 ? 244 TRP A CD1 1 ATOM 1979 C CD2 . TRP A 1 244 ? 51.216 22.438 2.550 1.00 27.18 ? 244 TRP A CD2 1 ATOM 1980 N NE1 . TRP A 1 244 ? 49.336 23.381 3.339 1.00 27.14 ? 244 TRP A NE1 1 ATOM 1981 C CE2 . TRP A 1 244 ? 49.822 22.569 2.346 1.00 27.91 ? 244 TRP A CE2 1 ATOM 1982 C CE3 . TRP A 1 244 ? 51.958 21.649 1.659 1.00 26.23 ? 244 TRP A CE3 1 ATOM 1983 C CZ2 . TRP A 1 244 ? 49.153 21.939 1.288 1.00 27.54 ? 244 TRP A CZ2 1 ATOM 1984 C CZ3 . TRP A 1 244 ? 51.291 21.022 0.604 1.00 28.41 ? 244 TRP A CZ3 1 ATOM 1985 C CH2 . TRP A 1 244 ? 49.901 21.171 0.430 1.00 28.09 ? 244 TRP A CH2 1 ATOM 1986 N N . ALA A 1 245 ? 55.128 22.889 2.163 1.00 25.49 ? 245 ALA A N 1 ATOM 1987 C CA . ALA A 1 245 ? 55.508 22.355 0.860 1.00 26.17 ? 245 ALA A CA 1 ATOM 1988 C C . ALA A 1 245 ? 55.628 20.848 1.041 1.00 25.63 ? 245 ALA A C 1 ATOM 1989 O O . ALA A 1 245 ? 56.214 20.379 2.019 1.00 25.47 ? 245 ALA A O 1 ATOM 1990 C CB . ALA A 1 245 ? 56.839 22.937 0.410 1.00 25.27 ? 245 ALA A CB 1 ATOM 1991 N N . SER A 1 246 ? 55.072 20.093 0.104 1.00 25.16 ? 246 SER A N 1 ATOM 1992 C CA . SER A 1 246 ? 55.109 18.643 0.196 1.00 26.23 ? 246 SER A CA 1 ATOM 1993 C C . SER A 1 246 ? 55.660 17.988 -1.062 1.00 27.84 ? 246 SER A C 1 ATOM 1994 O O . SER A 1 246 ? 55.709 18.596 -2.129 1.00 27.63 ? 246 SER A O 1 ATOM 1995 C CB . SER A 1 246 ? 53.704 18.109 0.455 1.00 24.16 ? 246 SER A CB 1 ATOM 1996 O OG . SER A 1 246 ? 52.859 18.411 -0.643 1.00 25.66 ? 246 SER A OG 1 ATOM 1997 N N . VAL A 1 247 ? 56.076 16.737 -0.912 1.00 30.12 ? 247 VAL A N 1 ATOM 1998 C CA . VAL A 1 247 ? 56.604 15.951 -2.015 1.00 31.81 ? 247 VAL A CA 1 ATOM 1999 C C . VAL A 1 247 ? 56.204 14.493 -1.778 1.00 31.93 ? 247 VAL A C 1 ATOM 2000 O O . VAL A 1 247 ? 56.098 14.047 -0.634 1.00 30.44 ? 247 VAL A O 1 ATOM 2001 C CB . VAL A 1 247 ? 58.145 16.061 -2.100 1.00 32.14 ? 247 VAL A CB 1 ATOM 2002 C CG1 . VAL A 1 247 ? 58.788 15.479 -0.849 1.00 33.42 ? 247 VAL A CG1 1 ATOM 2003 C CG2 . VAL A 1 247 ? 58.643 15.345 -3.339 1.00 35.80 ? 247 VAL A CG2 1 ATOM 2004 N N . VAL A 1 248 ? 55.960 13.763 -2.858 1.00 32.97 ? 248 VAL A N 1 ATOM 2005 C CA . VAL A 1 248 ? 55.579 12.357 -2.756 1.00 34.81 ? 248 VAL A CA 1 ATOM 2006 C C . VAL A 1 248 ? 56.813 11.496 -2.987 1.00 35.50 ? 248 VAL A C 1 ATOM 2007 O O . VAL A 1 248 ? 57.410 11.540 -4.062 1.00 36.04 ? 248 VAL A O 1 ATOM 2008 C CB . VAL A 1 248 ? 54.501 11.999 -3.794 1.00 34.45 ? 248 VAL A CB 1 ATOM 2009 C CG1 . VAL A 1 248 ? 54.230 10.501 -3.775 1.00 34.51 ? 248 VAL A CG1 1 ATOM 2010 C CG2 . VAL A 1 248 ? 53.221 12.766 -3.487 1.00 35.02 ? 248 VAL A CG2 1 ATOM 2011 N N . VAL A 1 249 ? 57.191 10.716 -1.979 1.00 35.89 ? 249 VAL A N 1 ATOM 2012 C CA . VAL A 1 249 ? 58.375 9.870 -2.076 1.00 37.72 ? 249 VAL A CA 1 ATOM 2013 C C . VAL A 1 249 ? 58.066 8.382 -1.885 1.00 40.25 ? 249 VAL A C 1 ATOM 2014 O O . VAL A 1 249 ? 57.038 8.016 -1.320 1.00 39.62 ? 249 VAL A O 1 ATOM 2015 C CB . VAL A 1 249 ? 59.430 10.286 -1.023 1.00 36.38 ? 249 VAL A CB 1 ATOM 2016 C CG1 . VAL A 1 249 ? 59.600 11.799 -1.030 1.00 36.43 ? 249 VAL A CG1 1 ATOM 2017 C CG2 . VAL A 1 249 ? 59.015 9.799 0.356 1.00 35.15 ? 249 VAL A CG2 1 ATOM 2018 N N . PRO A 1 250 ? 58.962 7.503 -2.361 1.00 41.99 ? 250 PRO A N 1 ATOM 2019 C CA . PRO A 1 250 ? 58.744 6.063 -2.214 1.00 43.22 ? 250 PRO A CA 1 ATOM 2020 C C . PRO A 1 250 ? 58.859 5.629 -0.759 1.00 43.47 ? 250 PRO A C 1 ATOM 2021 O O . PRO A 1 250 ? 59.767 6.056 -0.044 1.00 43.08 ? 250 PRO A O 1 ATOM 2022 C CB . PRO A 1 250 ? 59.838 5.458 -3.091 1.00 44.51 ? 250 PRO A CB 1 ATOM 2023 C CG . PRO A 1 250 ? 60.943 6.467 -2.987 1.00 44.39 ? 250 PRO A CG 1 ATOM 2024 C CD . PRO A 1 250 ? 60.196 7.773 -3.121 1.00 43.83 ? 250 PRO A CD 1 ATOM 2025 N N . LEU A 1 251 ? 57.927 4.789 -0.322 1.00 43.73 ? 251 LEU A N 1 ATOM 2026 C CA . LEU A 1 251 ? 57.928 4.293 1.047 1.00 44.57 ? 251 LEU A CA 1 ATOM 2027 C C . LEU A 1 251 ? 59.262 3.617 1.338 1.00 44.97 ? 251 LEU A C 1 ATOM 2028 O O . LEU A 1 251 ? 59.790 2.887 0.499 1.00 43.62 ? 251 LEU A O 1 ATOM 2029 C CB . LEU A 1 251 ? 56.781 3.297 1.248 1.00 45.32 ? 251 LEU A CB 1 ATOM 2030 C CG . LEU A 1 251 ? 56.654 2.622 2.618 1.00 46.28 ? 251 LEU A CG 1 ATOM 2031 C CD1 . LEU A 1 251 ? 56.469 3.664 3.711 1.00 46.18 ? 251 LEU A CD1 1 ATOM 2032 C CD2 . LEU A 1 251 ? 55.473 1.670 2.594 1.00 47.90 ? 251 LEU A CD2 1 ATOM 2033 N N . GLY A 1 252 ? 59.805 3.873 2.524 1.00 46.14 ? 252 GLY A N 1 ATOM 2034 C CA . GLY A 1 252 ? 61.076 3.285 2.904 1.00 47.26 ? 252 GLY A CA 1 ATOM 2035 C C . GLY A 1 252 ? 62.280 4.154 2.585 1.00 48.77 ? 252 GLY A C 1 ATOM 2036 O O . GLY A 1 252 ? 63.362 3.935 3.126 1.00 48.75 ? 252 GLY A O 1 ATOM 2037 N N . LYS A 1 253 ? 62.097 5.146 1.716 1.00 49.39 ? 253 LYS A N 1 ATOM 2038 C CA . LYS A 1 253 ? 63.191 6.037 1.329 1.00 50.51 ? 253 LYS A CA 1 ATOM 2039 C C . LYS A 1 253 ? 63.025 7.473 1.833 1.00 49.63 ? 253 LYS A C 1 ATOM 2040 O O . LYS A 1 253 ? 63.614 8.402 1.277 1.00 48.44 ? 253 LYS A O 1 ATOM 2041 C CB . LYS A 1 253 ? 63.324 6.057 -0.197 1.00 51.81 ? 253 LYS A CB 1 ATOM 2042 C CG . LYS A 1 253 ? 63.682 4.713 -0.816 1.00 55.11 ? 253 LYS A CG 1 ATOM 2043 C CD . LYS A 1 253 ? 65.066 4.250 -0.378 1.00 56.70 ? 253 LYS A CD 1 ATOM 2044 C CE . LYS A 1 253 ? 65.466 2.946 -1.060 1.00 57.99 ? 253 LYS A CE 1 ATOM 2045 N NZ . LYS A 1 253 ? 64.565 1.817 -0.691 1.00 58.30 ? 253 LYS A NZ 1 ATOM 2046 N N . GLU A 1 254 ? 62.237 7.653 2.889 1.00 49.77 ? 254 GLU A N 1 ATOM 2047 C CA . GLU A 1 254 ? 61.993 8.988 3.432 1.00 49.54 ? 254 GLU A CA 1 ATOM 2048 C C . GLU A 1 254 ? 63.215 9.708 3.997 1.00 49.32 ? 254 GLU A C 1 ATOM 2049 O O . GLU A 1 254 ? 63.282 10.937 3.947 1.00 48.78 ? 254 GLU A O 1 ATOM 2050 C CB . GLU A 1 254 ? 60.907 8.939 4.513 1.00 48.92 ? 254 GLU A CB 1 ATOM 2051 C CG . GLU A 1 254 ? 59.550 8.491 4.013 1.00 50.04 ? 254 GLU A CG 1 ATOM 2052 C CD . GLU A 1 254 ? 59.312 7.010 4.217 1.00 51.14 ? 254 GLU A CD 1 ATOM 2053 O OE1 . GLU A 1 254 ? 60.178 6.201 3.816 1.00 50.00 ? 254 GLU A OE1 1 ATOM 2054 O OE2 . GLU A 1 254 ? 58.253 6.656 4.779 1.00 51.85 ? 254 GLU A OE2 1 ATOM 2055 N N . GLN A 1 255 ? 64.179 8.962 4.528 1.00 48.65 ? 255 GLN A N 1 ATOM 2056 C CA . GLN A 1 255 ? 65.360 9.589 5.114 1.00 50.38 ? 255 GLN A CA 1 ATOM 2057 C C . GLN A 1 255 ? 66.331 10.216 4.119 1.00 49.09 ? 255 GLN A C 1 ATOM 2058 O O . GLN A 1 255 ? 67.332 10.807 4.522 1.00 48.90 ? 255 GLN A O 1 ATOM 2059 C CB . GLN A 1 255 ? 66.112 8.602 6.020 1.00 53.15 ? 255 GLN A CB 1 ATOM 2060 C CG . GLN A 1 255 ? 65.565 7.184 6.021 1.00 58.01 ? 255 GLN A CG 1 ATOM 2061 C CD . GLN A 1 255 ? 65.974 6.401 4.792 1.00 60.44 ? 255 GLN A CD 1 ATOM 2062 O OE1 . GLN A 1 255 ? 67.154 6.102 4.598 1.00 62.51 ? 255 GLN A OE1 1 ATOM 2063 N NE2 . GLN A 1 255 ? 65.001 6.063 3.952 1.00 60.87 ? 255 GLN A NE2 1 ATOM 2064 N N . TYR A 1 256 ? 66.035 10.096 2.827 1.00 48.31 ? 256 TYR A N 1 ATOM 2065 C CA . TYR A 1 256 ? 66.890 10.676 1.794 1.00 47.41 ? 256 TYR A CA 1 ATOM 2066 C C . TYR A 1 256 ? 66.390 12.056 1.386 1.00 45.08 ? 256 TYR A C 1 ATOM 2067 O O . TYR A 1 256 ? 67.034 12.750 0.601 1.00 45.07 ? 256 TYR A O 1 ATOM 2068 C CB . TYR A 1 256 ? 66.929 9.787 0.547 1.00 51.52 ? 256 TYR A CB 1 ATOM 2069 C CG . TYR A 1 256 ? 67.594 8.442 0.743 1.00 57.43 ? 256 TYR A CG 1 ATOM 2070 C CD1 . TYR A 1 256 ? 67.033 7.479 1.582 1.00 59.31 ? 256 TYR A CD1 1 ATOM 2071 C CD2 . TYR A 1 256 ? 68.777 8.125 0.075 1.00 59.09 ? 256 TYR A CD2 1 ATOM 2072 C CE1 . TYR A 1 256 ? 67.632 6.231 1.748 1.00 61.90 ? 256 TYR A CE1 1 ATOM 2073 C CE2 . TYR A 1 256 ? 69.384 6.881 0.234 1.00 61.61 ? 256 TYR A CE2 1 ATOM 2074 C CZ . TYR A 1 256 ? 68.805 5.940 1.071 1.00 62.31 ? 256 TYR A CZ 1 ATOM 2075 O OH . TYR A 1 256 ? 69.395 4.706 1.228 1.00 64.97 ? 256 TYR A OH 1 ATOM 2076 N N . TYR A 1 257 ? 65.235 12.450 1.913 1.00 41.56 ? 257 TYR A N 1 ATOM 2077 C CA . TYR A 1 257 ? 64.661 13.746 1.580 1.00 38.13 ? 257 TYR A CA 1 ATOM 2078 C C . TYR A 1 257 ? 64.802 14.726 2.730 1.00 36.86 ? 257 TYR A C 1 ATOM 2079 O O . TYR A 1 257 ? 64.547 14.391 3.886 1.00 37.23 ? 257 TYR A O 1 ATOM 2080 C CB . TYR A 1 257 ? 63.187 13.595 1.206 1.00 34.88 ? 257 TYR A CB 1 ATOM 2081 C CG . TYR A 1 257 ? 62.974 12.785 -0.049 1.00 35.39 ? 257 TYR A CG 1 ATOM 2082 C CD1 . TYR A 1 257 ? 63.105 11.394 -0.039 1.00 33.95 ? 257 TYR A CD1 1 ATOM 2083 C CD2 . TYR A 1 257 ? 62.682 13.412 -1.258 1.00 34.29 ? 257 TYR A CD2 1 ATOM 2084 C CE1 . TYR A 1 257 ? 62.952 10.650 -1.211 1.00 35.11 ? 257 TYR A CE1 1 ATOM 2085 C CE2 . TYR A 1 257 ? 62.528 12.682 -2.431 1.00 35.86 ? 257 TYR A CE2 1 ATOM 2086 C CZ . TYR A 1 257 ? 62.665 11.302 -2.402 1.00 36.44 ? 257 TYR A CZ 1 ATOM 2087 O OH . TYR A 1 257 ? 62.520 10.589 -3.571 1.00 37.94 ? 257 TYR A OH 1 ATOM 2088 N N . THR A 1 258 ? 65.212 15.944 2.405 1.00 34.47 ? 258 THR A N 1 ATOM 2089 C CA . THR A 1 258 ? 65.392 16.962 3.426 1.00 34.00 ? 258 THR A CA 1 ATOM 2090 C C . THR A 1 258 ? 64.654 18.232 3.056 1.00 32.35 ? 258 THR A C 1 ATOM 2091 O O . THR A 1 258 ? 64.632 18.633 1.893 1.00 32.26 ? 258 THR A O 1 ATOM 2092 C CB . THR A 1 258 ? 66.879 17.308 3.613 1.00 33.90 ? 258 THR A CB 1 ATOM 2093 O OG1 . THR A 1 258 ? 67.415 17.773 2.372 1.00 35.27 ? 258 THR A OG1 1 ATOM 2094 C CG2 . THR A 1 258 ? 67.663 16.087 4.055 1.00 33.12 ? 258 THR A CG2 1 ATOM 2095 N N . CYS A 1 259 ? 64.037 18.854 4.052 1.00 31.36 ? 259 CYS A N 1 ATOM 2096 C CA . CYS A 1 259 ? 63.328 20.104 3.832 1.00 30.43 ? 259 CYS A CA 1 ATOM 2097 C C . CYS A 1 259 ? 64.268 21.237 4.197 1.00 29.58 ? 259 CYS A C 1 ATOM 2098 O O . CYS A 1 259 ? 64.959 21.169 5.214 1.00 29.71 ? 259 CYS A O 1 ATOM 2099 C CB . CYS A 1 259 ? 62.098 20.204 4.721 1.00 30.14 ? 259 CYS A CB 1 ATOM 2100 S SG . CYS A 1 259 ? 61.260 21.812 4.533 1.00 32.96 ? 259 CYS A SG 1 ATOM 2101 N N . HIS A 1 260 ? 64.290 22.279 3.376 1.00 28.61 ? 260 HIS A N 1 ATOM 2102 C CA . HIS A 1 260 ? 65.153 23.425 3.639 1.00 28.96 ? 260 HIS A CA 1 ATOM 2103 C C . HIS A 1 260 ? 64.324 24.692 3.792 1.00 26.77 ? 260 HIS A C 1 ATOM 2104 O O . HIS A 1 260 ? 63.451 24.975 2.974 1.00 26.72 ? 260 HIS A O 1 ATOM 2105 C CB . HIS A 1 260 ? 66.163 23.573 2.505 1.00 29.25 ? 260 HIS A CB 1 ATOM 2106 C CG . HIS A 1 260 ? 67.058 22.385 2.359 1.00 33.91 ? 260 HIS A CG 1 ATOM 2107 N ND1 . HIS A 1 260 ? 68.300 22.312 2.952 1.00 34.06 ? 260 HIS A ND1 1 ATOM 2108 C CD2 . HIS A 1 260 ? 66.857 21.188 1.756 1.00 33.73 ? 260 HIS A CD2 1 ATOM 2109 C CE1 . HIS A 1 260 ? 68.825 21.122 2.722 1.00 35.74 ? 260 HIS A CE1 1 ATOM 2110 N NE2 . HIS A 1 260 ? 67.969 20.420 2.000 1.00 35.33 ? 260 HIS A NE2 1 ATOM 2111 N N . VAL A 1 261 ? 64.608 25.445 4.848 1.00 25.14 ? 261 VAL A N 1 ATOM 2112 C CA . VAL A 1 261 ? 63.884 26.677 5.136 1.00 26.26 ? 261 VAL A CA 1 ATOM 2113 C C . VAL A 1 261 ? 64.824 27.878 5.202 1.00 25.36 ? 261 VAL A C 1 ATOM 2114 O O . VAL A 1 261 ? 65.749 27.900 6.005 1.00 26.75 ? 261 VAL A O 1 ATOM 2115 C CB . VAL A 1 261 ? 63.130 26.570 6.487 1.00 26.65 ? 261 VAL A CB 1 ATOM 2116 C CG1 . VAL A 1 261 ? 62.223 27.792 6.684 1.00 25.72 ? 261 VAL A CG1 1 ATOM 2117 C CG2 . VAL A 1 261 ? 62.317 25.276 6.533 1.00 24.90 ? 261 VAL A CG2 1 ATOM 2118 N N . TYR A 1 262 ? 64.583 28.868 4.349 1.00 25.55 ? 262 TYR A N 1 ATOM 2119 C CA . TYR A 1 262 ? 65.401 30.080 4.325 1.00 27.08 ? 262 TYR A CA 1 ATOM 2120 C C . TYR A 1 262 ? 64.500 31.243 4.713 1.00 27.51 ? 262 TYR A C 1 ATOM 2121 O O . TYR A 1 262 ? 63.395 31.383 4.188 1.00 28.24 ? 262 TYR A O 1 ATOM 2122 C CB . TYR A 1 262 ? 65.984 30.334 2.930 1.00 26.35 ? 262 TYR A CB 1 ATOM 2123 C CG . TYR A 1 262 ? 66.697 29.148 2.331 1.00 29.08 ? 262 TYR A CG 1 ATOM 2124 C CD1 . TYR A 1 262 ? 65.986 28.150 1.672 1.00 27.29 ? 262 TYR A CD1 1 ATOM 2125 C CD2 . TYR A 1 262 ? 68.082 29.011 2.440 1.00 29.33 ? 262 TYR A CD2 1 ATOM 2126 C CE1 . TYR A 1 262 ? 66.631 27.043 1.135 1.00 30.29 ? 262 TYR A CE1 1 ATOM 2127 C CE2 . TYR A 1 262 ? 68.738 27.902 1.906 1.00 30.91 ? 262 TYR A CE2 1 ATOM 2128 C CZ . TYR A 1 262 ? 68.003 26.923 1.256 1.00 30.32 ? 262 TYR A CZ 1 ATOM 2129 O OH . TYR A 1 262 ? 68.630 25.816 0.735 1.00 31.32 ? 262 TYR A OH 1 ATOM 2130 N N . HIS A 1 263 ? 64.980 32.081 5.622 1.00 28.04 ? 263 HIS A N 1 ATOM 2131 C CA . HIS A 1 263 ? 64.198 33.214 6.095 1.00 27.06 ? 263 HIS A CA 1 ATOM 2132 C C . HIS A 1 263 ? 65.126 34.253 6.728 1.00 27.15 ? 263 HIS A C 1 ATOM 2133 O O . HIS A 1 263 ? 66.212 33.918 7.187 1.00 24.89 ? 263 HIS A O 1 ATOM 2134 C CB . HIS A 1 263 ? 63.189 32.724 7.135 1.00 25.16 ? 263 HIS A CB 1 ATOM 2135 C CG . HIS A 1 263 ? 62.258 33.787 7.628 1.00 25.39 ? 263 HIS A CG 1 ATOM 2136 N ND1 . HIS A 1 263 ? 61.108 34.139 6.957 1.00 26.14 ? 263 HIS A ND1 1 ATOM 2137 C CD2 . HIS A 1 263 ? 62.303 34.567 8.733 1.00 22.74 ? 263 HIS A CD2 1 ATOM 2138 C CE1 . HIS A 1 263 ? 60.481 35.088 7.629 1.00 21.89 ? 263 HIS A CE1 1 ATOM 2139 N NE2 . HIS A 1 263 ? 61.187 35.366 8.710 1.00 25.45 ? 263 HIS A NE2 1 ATOM 2140 N N . GLN A 1 264 ? 64.690 35.507 6.759 1.00 26.54 ? 264 GLN A N 1 ATOM 2141 C CA . GLN A 1 264 ? 65.492 36.574 7.345 1.00 29.20 ? 264 GLN A CA 1 ATOM 2142 C C . GLN A 1 264 ? 65.773 36.296 8.817 1.00 29.59 ? 264 GLN A C 1 ATOM 2143 O O . GLN A 1 264 ? 66.753 36.789 9.373 1.00 31.36 ? 264 GLN A O 1 ATOM 2144 C CB . GLN A 1 264 ? 64.768 37.916 7.208 1.00 30.93 ? 264 GLN A CB 1 ATOM 2145 C CG . GLN A 1 264 ? 64.358 38.230 5.781 1.00 35.23 ? 264 GLN A CG 1 ATOM 2146 C CD . GLN A 1 264 ? 63.692 39.587 5.630 1.00 37.88 ? 264 GLN A CD 1 ATOM 2147 O OE1 . GLN A 1 264 ? 63.074 39.871 4.600 1.00 40.03 ? 264 GLN A OE1 1 ATOM 2148 N NE2 . GLN A 1 264 ? 63.823 40.434 6.647 1.00 35.33 ? 264 GLN A NE2 1 ATOM 2149 N N . GLY A 1 265 ? 64.910 35.506 9.447 1.00 27.87 ? 265 GLY A N 1 ATOM 2150 C CA . GLY A 1 265 ? 65.096 35.188 10.851 1.00 27.47 ? 265 GLY A CA 1 ATOM 2151 C C . GLY A 1 265 ? 65.941 33.953 11.112 1.00 27.95 ? 265 GLY A C 1 ATOM 2152 O O . GLY A 1 265 ? 66.091 33.546 12.259 1.00 28.96 ? 265 GLY A O 1 ATOM 2153 N N . LEU A 1 266 ? 66.491 33.350 10.061 1.00 27.95 ? 266 LEU A N 1 ATOM 2154 C CA . LEU A 1 266 ? 67.325 32.158 10.224 1.00 27.66 ? 266 LEU A CA 1 ATOM 2155 C C . LEU A 1 266 ? 68.761 32.433 9.763 1.00 28.83 ? 266 LEU A C 1 ATOM 2156 O O . LEU A 1 266 ? 69.077 32.322 8.578 1.00 30.38 ? 266 LEU A O 1 ATOM 2157 C CB . LEU A 1 266 ? 66.738 30.986 9.425 1.00 25.22 ? 266 LEU A CB 1 ATOM 2158 C CG . LEU A 1 266 ? 65.323 30.510 9.783 1.00 23.90 ? 266 LEU A CG 1 ATOM 2159 C CD1 . LEU A 1 266 ? 64.818 29.553 8.709 1.00 25.06 ? 266 LEU A CD1 1 ATOM 2160 C CD2 . LEU A 1 266 ? 65.328 29.837 11.148 1.00 22.74 ? 266 LEU A CD2 1 ATOM 2161 N N . PRO A 1 267 ? 69.650 32.808 10.698 1.00 30.98 ? 267 PRO A N 1 ATOM 2162 C CA . PRO A 1 267 ? 71.041 33.083 10.317 1.00 31.82 ? 267 PRO A CA 1 ATOM 2163 C C . PRO A 1 267 ? 71.602 31.907 9.525 1.00 33.05 ? 267 PRO A C 1 ATOM 2164 O O . PRO A 1 267 ? 72.464 32.070 8.663 1.00 32.77 ? 267 PRO A O 1 ATOM 2165 C CB . PRO A 1 267 ? 71.732 33.271 11.666 1.00 31.03 ? 267 PRO A CB 1 ATOM 2166 C CG . PRO A 1 267 ? 70.645 33.900 12.497 1.00 31.77 ? 267 PRO A CG 1 ATOM 2167 C CD . PRO A 1 267 ? 69.443 33.043 12.139 1.00 30.24 ? 267 PRO A CD 1 ATOM 2168 N N . GLU A 1 268 ? 71.091 30.720 9.827 1.00 33.93 ? 268 GLU A N 1 ATOM 2169 C CA . GLU A 1 268 ? 71.499 29.496 9.150 1.00 33.82 ? 268 GLU A CA 1 ATOM 2170 C C . GLU A 1 268 ? 70.190 28.848 8.701 1.00 32.46 ? 268 GLU A C 1 ATOM 2171 O O . GLU A 1 268 ? 69.286 28.638 9.512 1.00 30.01 ? 268 GLU A O 1 ATOM 2172 C CB . GLU A 1 268 ? 72.224 28.568 10.131 1.00 38.25 ? 268 GLU A CB 1 ATOM 2173 C CG . GLU A 1 268 ? 73.593 28.042 9.683 1.00 45.35 ? 268 GLU A CG 1 ATOM 2174 C CD . GLU A 1 268 ? 74.741 28.997 9.998 1.00 49.27 ? 268 GLU A CD 1 ATOM 2175 O OE1 . GLU A 1 268 ? 75.899 28.530 10.092 1.00 49.21 ? 268 GLU A OE1 1 ATOM 2176 O OE2 . GLU A 1 268 ? 74.491 30.213 10.145 1.00 53.68 ? 268 GLU A OE2 1 ATOM 2177 N N . PRO A 1 269 ? 70.053 28.550 7.403 1.00 32.64 ? 269 PRO A N 1 ATOM 2178 C CA . PRO A 1 269 ? 68.802 27.926 6.967 1.00 32.52 ? 269 PRO A CA 1 ATOM 2179 C C . PRO A 1 269 ? 68.548 26.608 7.690 1.00 32.95 ? 269 PRO A C 1 ATOM 2180 O O . PRO A 1 269 ? 69.486 25.914 8.081 1.00 32.90 ? 269 PRO A O 1 ATOM 2181 C CB . PRO A 1 269 ? 69.011 27.741 5.465 1.00 33.87 ? 269 PRO A CB 1 ATOM 2182 C CG . PRO A 1 269 ? 70.510 27.639 5.335 1.00 34.32 ? 269 PRO A CG 1 ATOM 2183 C CD . PRO A 1 269 ? 70.985 28.709 6.273 1.00 32.67 ? 269 PRO A CD 1 ATOM 2184 N N . LEU A 1 270 ? 67.278 26.275 7.887 1.00 33.41 ? 270 LEU A N 1 ATOM 2185 C CA . LEU A 1 270 ? 66.927 25.031 8.560 1.00 33.79 ? 270 LEU A CA 1 ATOM 2186 C C . LEU A 1 270 ? 66.975 23.870 7.577 1.00 33.58 ? 270 LEU A C 1 ATOM 2187 O O . LEU A 1 270 ? 66.754 24.040 6.381 1.00 33.23 ? 270 LEU A O 1 ATOM 2188 C CB . LEU A 1 270 ? 65.521 25.114 9.166 1.00 32.00 ? 270 LEU A CB 1 ATOM 2189 C CG . LEU A 1 270 ? 65.269 26.150 10.262 1.00 33.24 ? 270 LEU A CG 1 ATOM 2190 C CD1 . LEU A 1 270 ? 63.807 26.109 10.665 1.00 33.38 ? 270 LEU A CD1 1 ATOM 2191 C CD2 . LEU A 1 270 ? 66.158 25.870 11.462 1.00 33.64 ? 270 LEU A CD2 1 ATOM 2192 N N . THR A 1 271 ? 67.281 22.692 8.102 1.00 35.09 ? 271 THR A N 1 ATOM 2193 C CA . THR A 1 271 ? 67.335 21.470 7.317 1.00 34.86 ? 271 THR A CA 1 ATOM 2194 C C . THR A 1 271 ? 66.660 20.412 8.172 1.00 34.64 ? 271 THR A C 1 ATOM 2195 O O . THR A 1 271 ? 67.127 20.111 9.271 1.00 33.69 ? 271 THR A O 1 ATOM 2196 C CB . THR A 1 271 ? 68.785 21.040 7.032 1.00 35.94 ? 271 THR A CB 1 ATOM 2197 O OG1 . THR A 1 271 ? 69.404 22.002 6.170 1.00 37.17 ? 271 THR A OG1 1 ATOM 2198 C CG2 . THR A 1 271 ? 68.815 19.673 6.352 1.00 37.91 ? 271 THR A CG2 1 ATOM 2199 N N . LEU A 1 272 ? 65.548 19.872 7.677 1.00 34.19 ? 272 LEU A N 1 ATOM 2200 C CA . LEU A 1 272 ? 64.803 18.851 8.405 1.00 34.52 ? 272 LEU A CA 1 ATOM 2201 C C . LEU A 1 272 ? 64.534 17.642 7.538 1.00 34.76 ? 272 LEU A C 1 ATOM 2202 O O . LEU A 1 272 ? 64.519 17.725 6.309 1.00 33.73 ? 272 LEU A O 1 ATOM 2203 C CB . LEU A 1 272 ? 63.433 19.358 8.860 1.00 34.21 ? 272 LEU A CB 1 ATOM 2204 C CG . LEU A 1 272 ? 63.176 20.704 9.519 1.00 35.48 ? 272 LEU A CG 1 ATOM 2205 C CD1 . LEU A 1 272 ? 63.396 21.831 8.517 1.00 31.95 ? 272 LEU A CD1 1 ATOM 2206 C CD2 . LEU A 1 272 ? 61.737 20.712 10.024 1.00 33.17 ? 272 LEU A CD2 1 ATOM 2207 N N . ARG A 1 273 ? 64.289 16.524 8.205 1.00 38.30 ? 273 ARG A N 1 ATOM 2208 C CA . ARG A 1 273 ? 63.956 15.269 7.549 1.00 43.38 ? 273 ARG A CA 1 ATOM 2209 C C . ARG A 1 273 ? 62.915 14.617 8.450 1.00 45.21 ? 273 ARG A C 1 ATOM 2210 O O . ARG A 1 273 ? 62.752 15.020 9.604 1.00 44.34 ? 273 ARG A O 1 ATOM 2211 C CB . ARG A 1 273 ? 65.187 14.368 7.416 1.00 45.53 ? 273 ARG A CB 1 ATOM 2212 C CG . ARG A 1 273 ? 65.965 14.160 8.700 1.00 49.43 ? 273 ARG A CG 1 ATOM 2213 C CD . ARG A 1 273 ? 66.817 12.899 8.624 1.00 54.12 ? 273 ARG A CD 1 ATOM 2214 N NE . ARG A 1 273 ? 67.519 12.769 7.349 1.00 56.79 ? 273 ARG A NE 1 ATOM 2215 C CZ . ARG A 1 273 ? 68.464 13.600 6.920 1.00 59.08 ? 273 ARG A CZ 1 ATOM 2216 N NH1 . ARG A 1 273 ? 68.833 14.635 7.667 1.00 60.31 ? 273 ARG A NH1 1 ATOM 2217 N NH2 . ARG A 1 273 ? 69.042 13.395 5.742 1.00 58.44 ? 273 ARG A NH2 1 ATOM 2218 N N . TRP A 1 274 ? 62.198 13.626 7.935 1.00 47.77 ? 274 TRP A N 1 ATOM 2219 C CA . TRP A 1 274 ? 61.186 12.966 8.749 1.00 49.55 ? 274 TRP A CA 1 ATOM 2220 C C . TRP A 1 274 ? 61.849 12.005 9.731 1.00 49.67 ? 274 TRP A C 1 ATOM 2221 O O . TRP A 1 274 ? 62.911 11.449 9.379 1.00 49.37 ? 274 TRP A O 1 ATOM 2222 C CB . TRP A 1 274 ? 60.204 12.200 7.862 1.00 51.66 ? 274 TRP A CB 1 ATOM 2223 C CG . TRP A 1 274 ? 59.054 11.630 8.629 1.00 55.62 ? 274 TRP A CG 1 ATOM 2224 C CD1 . TRP A 1 274 ? 58.088 12.327 9.302 1.00 56.87 ? 274 TRP A CD1 1 ATOM 2225 C CD2 . TRP A 1 274 ? 58.763 10.244 8.833 1.00 57.12 ? 274 TRP A CD2 1 ATOM 2226 N NE1 . TRP A 1 274 ? 57.216 11.459 9.913 1.00 58.54 ? 274 TRP A NE1 1 ATOM 2227 C CE2 . TRP A 1 274 ? 57.607 10.175 9.642 1.00 57.77 ? 274 TRP A CE2 1 ATOM 2228 C CE3 . TRP A 1 274 ? 59.368 9.052 8.411 1.00 58.41 ? 274 TRP A CE3 1 ATOM 2229 C CZ2 . TRP A 1 274 ? 57.042 8.959 10.039 1.00 59.41 ? 274 TRP A CZ2 1 ATOM 2230 C CZ3 . TRP A 1 274 ? 58.805 7.841 8.807 1.00 59.26 ? 274 TRP A CZ3 1 ATOM 2231 C CH2 . TRP A 1 274 ? 57.653 7.805 9.613 1.00 59.40 ? 274 TRP A CH2 1 ATOM 2232 O OXT . TRP A 1 274 ? 61.291 11.812 10.835 1.00 50.59 ? 274 TRP A OXT 1 ATOM 2233 N N . ILE B 2 1 ? 34.931 38.206 -15.139 1.00 64.21 ? 1 ILE B N 1 ATOM 2234 C CA . ILE B 2 1 ? 35.880 37.232 -14.526 1.00 63.50 ? 1 ILE B CA 1 ATOM 2235 C C . ILE B 2 1 ? 35.305 36.626 -13.251 1.00 61.57 ? 1 ILE B C 1 ATOM 2236 O O . ILE B 2 1 ? 35.035 37.339 -12.283 1.00 62.58 ? 1 ILE B O 1 ATOM 2237 C CB . ILE B 2 1 ? 37.233 37.912 -14.188 1.00 64.81 ? 1 ILE B CB 1 ATOM 2238 C CG1 . ILE B 2 1 ? 37.959 38.299 -15.480 1.00 66.43 ? 1 ILE B CG1 1 ATOM 2239 C CG2 . ILE B 2 1 ? 38.098 36.980 -13.344 1.00 64.96 ? 1 ILE B CG2 1 ATOM 2240 C CD1 . ILE B 2 1 ? 38.281 37.122 -16.391 1.00 66.62 ? 1 ILE B CD1 1 ATOM 2241 N N . GLN B 2 2 ? 35.110 35.311 -13.255 1.00 58.34 ? 2 GLN B N 1 ATOM 2242 C CA . GLN B 2 2 ? 34.586 34.626 -12.081 1.00 55.23 ? 2 GLN B CA 1 ATOM 2243 C C . GLN B 2 2 ? 35.537 33.510 -11.671 1.00 52.76 ? 2 GLN B C 1 ATOM 2244 O O . GLN B 2 2 ? 35.851 32.621 -12.466 1.00 51.14 ? 2 GLN B O 1 ATOM 2245 C CB . GLN B 2 2 ? 33.194 34.052 -12.354 1.00 55.23 ? 2 GLN B CB 1 ATOM 2246 C CG . GLN B 2 2 ? 32.503 33.561 -11.090 1.00 56.95 ? 2 GLN B CG 1 ATOM 2247 C CD . GLN B 2 2 ? 31.078 33.104 -11.325 1.00 57.40 ? 2 GLN B CD 1 ATOM 2248 O OE1 . GLN B 2 2 ? 30.833 32.160 -12.077 1.00 59.59 ? 2 GLN B OE1 1 ATOM 2249 N NE2 . GLN B 2 2 ? 30.129 33.770 -10.676 1.00 57.14 ? 2 GLN B NE2 1 ATOM 2250 N N . LYS B 2 3 ? 35.999 33.568 -10.426 1.00 49.08 ? 3 LYS B N 1 ATOM 2251 C CA . LYS B 2 3 ? 36.930 32.575 -9.913 1.00 45.41 ? 3 LYS B CA 1 ATOM 2252 C C . LYS B 2 3 ? 36.427 31.958 -8.620 1.00 43.16 ? 3 LYS B C 1 ATOM 2253 O O . LYS B 2 3 ? 35.965 32.657 -7.722 1.00 42.01 ? 3 LYS B O 1 ATOM 2254 C CB . LYS B 2 3 ? 38.295 33.216 -9.676 1.00 46.15 ? 3 LYS B CB 1 ATOM 2255 C CG . LYS B 2 3 ? 38.890 33.879 -10.905 1.00 46.78 ? 3 LYS B CG 1 ATOM 2256 C CD . LYS B 2 3 ? 40.190 34.575 -10.555 1.00 49.40 ? 3 LYS B CD 1 ATOM 2257 C CE . LYS B 2 3 ? 40.754 35.330 -11.739 1.00 51.08 ? 3 LYS B CE 1 ATOM 2258 N NZ . LYS B 2 3 ? 41.927 36.154 -11.339 1.00 53.82 ? 3 LYS B NZ 1 ATOM 2259 N N . THR B 2 4 ? 36.525 30.637 -8.533 1.00 41.37 ? 4 THR B N 1 ATOM 2260 C CA . THR B 2 4 ? 36.079 29.915 -7.353 1.00 39.61 ? 4 THR B CA 1 ATOM 2261 C C . THR B 2 4 ? 37.069 30.108 -6.212 1.00 37.88 ? 4 THR B C 1 ATOM 2262 O O . THR B 2 4 ? 38.276 29.951 -6.387 1.00 37.09 ? 4 THR B O 1 ATOM 2263 C CB . THR B 2 4 ? 35.943 28.410 -7.649 1.00 39.60 ? 4 THR B CB 1 ATOM 2264 O OG1 . THR B 2 4 ? 35.052 28.222 -8.754 1.00 41.62 ? 4 THR B OG1 1 ATOM 2265 C CG2 . THR B 2 4 ? 35.388 27.682 -6.443 1.00 39.60 ? 4 THR B CG2 1 ATOM 2266 N N . PRO B 2 5 ? 36.565 30.449 -5.019 1.00 37.89 ? 5 PRO B N 1 ATOM 2267 C CA . PRO B 2 5 ? 37.459 30.650 -3.878 1.00 37.83 ? 5 PRO B CA 1 ATOM 2268 C C . PRO B 2 5 ? 38.146 29.375 -3.414 1.00 38.05 ? 5 PRO B C 1 ATOM 2269 O O . PRO B 2 5 ? 37.552 28.296 -3.417 1.00 37.79 ? 5 PRO B O 1 ATOM 2270 C CB . PRO B 2 5 ? 36.529 31.209 -2.808 1.00 37.59 ? 5 PRO B CB 1 ATOM 2271 C CG . PRO B 2 5 ? 35.229 30.530 -3.119 1.00 37.55 ? 5 PRO B CG 1 ATOM 2272 C CD . PRO B 2 5 ? 35.159 30.656 -4.627 1.00 36.74 ? 5 PRO B CD 1 ATOM 2273 N N . GLN B 2 6 ? 39.409 29.512 -3.035 1.00 36.33 ? 6 GLN B N 1 ATOM 2274 C CA . GLN B 2 6 ? 40.177 28.403 -2.504 1.00 36.15 ? 6 GLN B CA 1 ATOM 2275 C C . GLN B 2 6 ? 39.974 28.571 -1.003 1.00 34.10 ? 6 GLN B C 1 ATOM 2276 O O . GLN B 2 6 ? 40.083 29.685 -0.488 1.00 34.65 ? 6 GLN B O 1 ATOM 2277 C CB . GLN B 2 6 ? 41.653 28.561 -2.864 1.00 39.61 ? 6 GLN B CB 1 ATOM 2278 C CG . GLN B 2 6 ? 41.911 28.548 -4.356 1.00 44.32 ? 6 GLN B CG 1 ATOM 2279 C CD . GLN B 2 6 ? 41.457 27.256 -4.996 1.00 47.92 ? 6 GLN B CD 1 ATOM 2280 O OE1 . GLN B 2 6 ? 41.968 26.184 -4.676 1.00 51.49 ? 6 GLN B OE1 1 ATOM 2281 N NE2 . GLN B 2 6 ? 40.483 27.347 -5.899 1.00 49.87 ? 6 GLN B NE2 1 ATOM 2282 N N . ILE B 2 7 ? 39.664 27.486 -0.303 1.00 30.58 ? 7 ILE B N 1 ATOM 2283 C CA . ILE B 2 7 ? 39.423 27.566 1.137 1.00 28.43 ? 7 ILE B CA 1 ATOM 2284 C C . ILE B 2 7 ? 40.432 26.759 1.942 1.00 27.64 ? 7 ILE B C 1 ATOM 2285 O O . ILE B 2 7 ? 40.499 25.541 1.818 1.00 26.91 ? 7 ILE B O 1 ATOM 2286 C CB . ILE B 2 7 ? 38.006 27.066 1.473 1.00 29.83 ? 7 ILE B CB 1 ATOM 2287 C CG1 . ILE B 2 7 ? 36.990 27.771 0.570 1.00 28.70 ? 7 ILE B CG1 1 ATOM 2288 C CG2 . ILE B 2 7 ? 37.695 27.323 2.947 1.00 28.70 ? 7 ILE B CG2 1 ATOM 2289 C CD1 . ILE B 2 7 ? 35.576 27.244 0.699 1.00 30.03 ? 7 ILE B CD1 1 ATOM 2290 N N . GLN B 2 8 ? 41.218 27.444 2.767 1.00 25.40 ? 8 GLN B N 1 ATOM 2291 C CA . GLN B 2 8 ? 42.228 26.784 3.592 1.00 24.94 ? 8 GLN B CA 1 ATOM 2292 C C . GLN B 2 8 ? 41.926 27.024 5.074 1.00 25.00 ? 8 GLN B C 1 ATOM 2293 O O . GLN B 2 8 ? 41.689 28.164 5.486 1.00 23.60 ? 8 GLN B O 1 ATOM 2294 C CB . GLN B 2 8 ? 43.622 27.316 3.227 1.00 25.53 ? 8 GLN B CB 1 ATOM 2295 C CG . GLN B 2 8 ? 44.091 26.913 1.820 1.00 27.32 ? 8 GLN B CG 1 ATOM 2296 C CD . GLN B 2 8 ? 45.279 27.732 1.306 1.00 29.58 ? 8 GLN B CD 1 ATOM 2297 O OE1 . GLN B 2 8 ? 46.102 28.220 2.079 1.00 28.27 ? 8 GLN B OE1 1 ATOM 2298 N NE2 . GLN B 2 8 ? 45.374 27.866 -0.012 1.00 30.42 ? 8 GLN B NE2 1 ATOM 2299 N N . VAL B 2 9 ? 41.925 25.946 5.861 1.00 22.54 ? 9 VAL B N 1 ATOM 2300 C CA . VAL B 2 9 ? 41.637 26.007 7.297 1.00 22.18 ? 9 VAL B CA 1 ATOM 2301 C C . VAL B 2 9 ? 42.824 25.482 8.100 1.00 23.54 ? 9 VAL B C 1 ATOM 2302 O O . VAL B 2 9 ? 43.290 24.362 7.874 1.00 24.46 ? 9 VAL B O 1 ATOM 2303 C CB . VAL B 2 9 ? 40.383 25.169 7.632 1.00 21.99 ? 9 VAL B CB 1 ATOM 2304 C CG1 . VAL B 2 9 ? 40.072 25.244 9.122 1.00 21.87 ? 9 VAL B CG1 1 ATOM 2305 C CG2 . VAL B 2 9 ? 39.204 25.664 6.812 1.00 20.89 ? 9 VAL B CG2 1 ATOM 2306 N N . TYR B 2 10 ? 43.308 26.284 9.045 1.00 22.34 ? 10 TYR B N 1 ATOM 2307 C CA . TYR B 2 10 ? 44.473 25.893 9.836 1.00 22.23 ? 10 TYR B CA 1 ATOM 2308 C C . TYR B 2 10 ? 44.634 26.698 11.122 1.00 22.34 ? 10 TYR B C 1 ATOM 2309 O O . TYR B 2 10 ? 44.118 27.812 11.247 1.00 21.37 ? 10 TYR B O 1 ATOM 2310 C CB . TYR B 2 10 ? 45.737 26.069 8.988 1.00 23.07 ? 10 TYR B CB 1 ATOM 2311 C CG . TYR B 2 10 ? 45.810 27.446 8.350 1.00 23.08 ? 10 TYR B CG 1 ATOM 2312 C CD1 . TYR B 2 10 ? 45.085 27.739 7.193 1.00 19.99 ? 10 TYR B CD1 1 ATOM 2313 C CD2 . TYR B 2 10 ? 46.550 28.471 8.940 1.00 20.99 ? 10 TYR B CD2 1 ATOM 2314 C CE1 . TYR B 2 10 ? 45.095 29.022 6.639 1.00 21.66 ? 10 TYR B CE1 1 ATOM 2315 C CE2 . TYR B 2 10 ? 46.567 29.761 8.394 1.00 23.26 ? 10 TYR B CE2 1 ATOM 2316 C CZ . TYR B 2 10 ? 45.838 30.029 7.245 1.00 22.70 ? 10 TYR B CZ 1 ATOM 2317 O OH . TYR B 2 10 ? 45.853 31.297 6.705 1.00 22.00 ? 10 TYR B OH 1 ATOM 2318 N N . SER B 2 11 ? 45.373 26.133 12.071 1.00 21.95 ? 11 SER B N 1 ATOM 2319 C CA . SER B 2 11 ? 45.615 26.800 13.343 1.00 23.13 ? 11 SER B CA 1 ATOM 2320 C C . SER B 2 11 ? 46.981 27.490 13.345 1.00 24.15 ? 11 SER B C 1 ATOM 2321 O O . SER B 2 11 ? 47.852 27.158 12.546 1.00 23.70 ? 11 SER B O 1 ATOM 2322 C CB . SER B 2 11 ? 45.556 25.786 14.489 1.00 23.45 ? 11 SER B CB 1 ATOM 2323 O OG . SER B 2 11 ? 46.557 24.793 14.336 1.00 24.55 ? 11 SER B OG 1 ATOM 2324 N N . ARG B 2 12 ? 47.151 28.449 14.250 1.00 24.22 ? 12 ARG B N 1 ATOM 2325 C CA . ARG B 2 12 ? 48.406 29.187 14.392 1.00 25.14 ? 12 ARG B CA 1 ATOM 2326 C C . ARG B 2 12 ? 49.523 28.282 14.909 1.00 25.63 ? 12 ARG B C 1 ATOM 2327 O O . ARG B 2 12 ? 50.640 28.300 14.386 1.00 26.71 ? 12 ARG B O 1 ATOM 2328 C CB . ARG B 2 12 ? 48.206 30.357 15.359 1.00 22.87 ? 12 ARG B CB 1 ATOM 2329 C CG . ARG B 2 12 ? 49.488 30.947 15.936 1.00 26.17 ? 12 ARG B CG 1 ATOM 2330 C CD . ARG B 2 12 ? 50.298 31.733 14.907 1.00 24.92 ? 12 ARG B CD 1 ATOM 2331 N NE . ARG B 2 12 ? 51.522 32.265 15.506 1.00 26.59 ? 12 ARG B NE 1 ATOM 2332 C CZ . ARG B 2 12 ? 52.628 31.555 15.717 1.00 25.94 ? 12 ARG B CZ 1 ATOM 2333 N NH1 . ARG B 2 12 ? 52.674 30.276 15.368 1.00 23.95 ? 12 ARG B NH1 1 ATOM 2334 N NH2 . ARG B 2 12 ? 53.681 32.120 16.298 1.00 24.13 ? 12 ARG B NH2 1 ATOM 2335 N N . HIS B 2 13 ? 49.212 27.493 15.935 1.00 25.31 ? 13 HIS B N 1 ATOM 2336 C CA . HIS B 2 13 ? 50.178 26.573 16.546 1.00 26.59 ? 13 HIS B CA 1 ATOM 2337 C C . HIS B 2 13 ? 49.754 25.125 16.352 1.00 26.32 ? 13 HIS B C 1 ATOM 2338 O O . HIS B 2 13 ? 48.571 24.835 16.171 1.00 24.51 ? 13 HIS B O 1 ATOM 2339 C CB . HIS B 2 13 ? 50.258 26.804 18.058 1.00 26.60 ? 13 HIS B CB 1 ATOM 2340 C CG . HIS B 2 13 ? 50.621 28.199 18.449 1.00 29.99 ? 13 HIS B CG 1 ATOM 2341 N ND1 . HIS B 2 13 ? 51.899 28.701 18.320 1.00 30.48 ? 13 HIS B ND1 1 ATOM 2342 C CD2 . HIS B 2 13 ? 49.877 29.191 18.993 1.00 29.90 ? 13 HIS B CD2 1 ATOM 2343 C CE1 . HIS B 2 13 ? 51.926 29.944 18.771 1.00 32.08 ? 13 HIS B CE1 1 ATOM 2344 N NE2 . HIS B 2 13 ? 50.712 30.265 19.184 1.00 31.79 ? 13 HIS B NE2 1 ATOM 2345 N N . PRO B 2 14 ? 50.716 24.189 16.392 1.00 28.27 ? 14 PRO B N 1 ATOM 2346 C CA . PRO B 2 14 ? 50.324 22.786 16.227 1.00 29.71 ? 14 PRO B CA 1 ATOM 2347 C C . PRO B 2 14 ? 49.278 22.549 17.324 1.00 30.60 ? 14 PRO B C 1 ATOM 2348 O O . PRO B 2 14 ? 49.476 22.937 18.472 1.00 28.80 ? 14 PRO B O 1 ATOM 2349 C CB . PRO B 2 14 ? 51.628 22.034 16.483 1.00 29.79 ? 14 PRO B CB 1 ATOM 2350 C CG . PRO B 2 14 ? 52.666 22.991 15.945 1.00 28.26 ? 14 PRO B CG 1 ATOM 2351 C CD . PRO B 2 14 ? 52.180 24.322 16.506 1.00 28.29 ? 14 PRO B CD 1 ATOM 2352 N N . PRO B 2 15 ? 48.151 21.918 16.985 1.00 32.72 ? 15 PRO B N 1 ATOM 2353 C CA . PRO B 2 15 ? 47.119 21.686 17.997 1.00 34.27 ? 15 PRO B CA 1 ATOM 2354 C C . PRO B 2 15 ? 47.492 20.837 19.206 1.00 35.69 ? 15 PRO B C 1 ATOM 2355 O O . PRO B 2 15 ? 48.038 19.743 19.077 1.00 37.06 ? 15 PRO B O 1 ATOM 2356 C CB . PRO B 2 15 ? 45.980 21.072 17.188 1.00 34.79 ? 15 PRO B CB 1 ATOM 2357 C CG . PRO B 2 15 ? 46.720 20.316 16.113 1.00 35.85 ? 15 PRO B CG 1 ATOM 2358 C CD . PRO B 2 15 ? 47.786 21.298 15.699 1.00 34.77 ? 15 PRO B CD 1 ATOM 2359 N N . GLU B 2 16 ? 47.189 21.373 20.382 1.00 36.88 ? 16 GLU B N 1 ATOM 2360 C CA . GLU B 2 16 ? 47.418 20.700 21.654 1.00 38.91 ? 16 GLU B CA 1 ATOM 2361 C C . GLU B 2 16 ? 46.139 20.869 22.458 1.00 37.44 ? 16 GLU B C 1 ATOM 2362 O O . GLU B 2 16 ? 45.752 21.992 22.786 1.00 36.16 ? 16 GLU B O 1 ATOM 2363 C CB . GLU B 2 16 ? 48.582 21.329 22.422 1.00 42.26 ? 16 GLU B CB 1 ATOM 2364 C CG . GLU B 2 16 ? 49.951 20.826 22.014 1.00 48.39 ? 16 GLU B CG 1 ATOM 2365 C CD . GLU B 2 16 ? 51.052 21.379 22.900 1.00 52.90 ? 16 GLU B CD 1 ATOM 2366 O OE1 . GLU B 2 16 ? 51.305 22.604 22.854 1.00 55.29 ? 16 GLU B OE1 1 ATOM 2367 O OE2 . GLU B 2 16 ? 51.659 20.585 23.652 1.00 55.68 ? 16 GLU B OE2 1 ATOM 2368 N N . ASN B 2 17 ? 45.476 19.760 22.763 1.00 37.71 ? 17 ASN B N 1 ATOM 2369 C CA . ASN B 2 17 ? 44.237 19.826 23.526 1.00 37.99 ? 17 ASN B CA 1 ATOM 2370 C C . ASN B 2 17 ? 44.458 20.616 24.810 1.00 36.99 ? 17 ASN B C 1 ATOM 2371 O O . ASN B 2 17 ? 45.474 20.450 25.479 1.00 36.38 ? 17 ASN B O 1 ATOM 2372 C CB . ASN B 2 17 ? 43.734 18.415 23.860 1.00 38.22 ? 17 ASN B CB 1 ATOM 2373 C CG . ASN B 2 17 ? 43.397 17.606 22.618 1.00 40.10 ? 17 ASN B CG 1 ATOM 2374 O OD1 . ASN B 2 17 ? 42.785 18.115 21.680 1.00 41.40 ? 17 ASN B OD1 1 ATOM 2375 N ND2 . ASN B 2 17 ? 43.784 16.337 22.613 1.00 39.18 ? 17 ASN B ND2 1 ATOM 2376 N N . GLY B 2 18 ? 43.511 21.492 25.133 1.00 36.87 ? 18 GLY B N 1 ATOM 2377 C CA . GLY B 2 18 ? 43.613 22.283 26.345 1.00 37.53 ? 18 GLY B CA 1 ATOM 2378 C C . GLY B 2 18 ? 44.485 23.526 26.266 1.00 38.40 ? 18 GLY B C 1 ATOM 2379 O O . GLY B 2 18 ? 44.544 24.296 27.221 1.00 38.47 ? 18 GLY B O 1 ATOM 2380 N N . LYS B 2 19 ? 45.165 23.735 25.144 1.00 38.43 ? 19 LYS B N 1 ATOM 2381 C CA . LYS B 2 19 ? 46.025 24.908 25.006 1.00 37.96 ? 19 LYS B CA 1 ATOM 2382 C C . LYS B 2 19 ? 45.466 25.929 24.016 1.00 36.38 ? 19 LYS B C 1 ATOM 2383 O O . LYS B 2 19 ? 45.169 25.597 22.867 1.00 36.00 ? 19 LYS B O 1 ATOM 2384 C CB . LYS B 2 19 ? 47.431 24.480 24.572 1.00 39.82 ? 19 LYS B CB 1 ATOM 2385 C CG . LYS B 2 19 ? 48.393 25.643 24.343 1.00 42.97 ? 19 LYS B CG 1 ATOM 2386 C CD . LYS B 2 19 ? 48.566 26.486 25.599 1.00 45.76 ? 19 LYS B CD 1 ATOM 2387 C CE . LYS B 2 19 ? 49.430 27.718 25.339 1.00 47.99 ? 19 LYS B CE 1 ATOM 2388 N NZ . LYS B 2 19 ? 48.838 28.637 24.318 1.00 46.37 ? 19 LYS B NZ 1 ATOM 2389 N N . PRO B 2 20 ? 45.312 27.192 24.454 1.00 34.98 ? 20 PRO B N 1 ATOM 2390 C CA . PRO B 2 20 ? 44.787 28.248 23.585 1.00 32.91 ? 20 PRO B CA 1 ATOM 2391 C C . PRO B 2 20 ? 45.531 28.292 22.261 1.00 31.95 ? 20 PRO B C 1 ATOM 2392 O O . PRO B 2 20 ? 46.747 28.112 22.210 1.00 30.03 ? 20 PRO B O 1 ATOM 2393 C CB . PRO B 2 20 ? 44.989 29.506 24.417 1.00 32.95 ? 20 PRO B CB 1 ATOM 2394 C CG . PRO B 2 20 ? 44.731 29.011 25.794 1.00 34.17 ? 20 PRO B CG 1 ATOM 2395 C CD . PRO B 2 20 ? 45.520 27.706 25.820 1.00 35.11 ? 20 PRO B CD 1 ATOM 2396 N N . ASN B 2 21 ? 44.786 28.538 21.191 1.00 29.86 ? 21 ASN B N 1 ATOM 2397 C CA . ASN B 2 21 ? 45.351 28.567 19.855 1.00 27.36 ? 21 ASN B CA 1 ATOM 2398 C C . ASN B 2 21 ? 44.506 29.537 19.028 1.00 25.70 ? 21 ASN B C 1 ATOM 2399 O O . ASN B 2 21 ? 43.656 30.244 19.566 1.00 24.43 ? 21 ASN B O 1 ATOM 2400 C CB . ASN B 2 21 ? 45.261 27.154 19.264 1.00 27.52 ? 21 ASN B CB 1 ATOM 2401 C CG . ASN B 2 21 ? 46.282 26.897 18.176 1.00 28.04 ? 21 ASN B CG 1 ATOM 2402 O OD1 . ASN B 2 21 ? 46.610 27.785 17.392 1.00 28.84 ? 21 ASN B OD1 1 ATOM 2403 N ND2 . ASN B 2 21 ? 46.779 25.665 18.114 1.00 27.40 ? 21 ASN B ND2 1 ATOM 2404 N N . ILE B 2 22 ? 44.738 29.567 17.722 1.00 24.16 ? 22 ILE B N 1 ATOM 2405 C CA . ILE B 2 22 ? 43.958 30.421 16.838 1.00 24.57 ? 22 ILE B CA 1 ATOM 2406 C C . ILE B 2 22 ? 43.602 29.612 15.600 1.00 23.75 ? 22 ILE B C 1 ATOM 2407 O O . ILE B 2 22 ? 44.473 29.001 14.991 1.00 23.81 ? 22 ILE B O 1 ATOM 2408 C CB . ILE B 2 22 ? 44.745 31.675 16.383 1.00 23.39 ? 22 ILE B CB 1 ATOM 2409 C CG1 . ILE B 2 22 ? 45.103 32.544 17.591 1.00 24.17 ? 22 ILE B CG1 1 ATOM 2410 C CG2 . ILE B 2 22 ? 43.911 32.459 15.368 1.00 19.95 ? 22 ILE B CG2 1 ATOM 2411 C CD1 . ILE B 2 22 ? 45.989 33.755 17.244 1.00 24.68 ? 22 ILE B CD1 1 ATOM 2412 N N . LEU B 2 23 ? 42.324 29.598 15.238 1.00 24.57 ? 23 LEU B N 1 ATOM 2413 C CA . LEU B 2 23 ? 41.889 28.868 14.057 1.00 23.71 ? 23 LEU B CA 1 ATOM 2414 C C . LEU B 2 23 ? 41.667 29.880 12.947 1.00 24.40 ? 23 LEU B C 1 ATOM 2415 O O . LEU B 2 23 ? 41.036 30.925 13.161 1.00 21.35 ? 23 LEU B O 1 ATOM 2416 C CB . LEU B 2 23 ? 40.590 28.096 14.321 1.00 24.06 ? 23 LEU B CB 1 ATOM 2417 C CG . LEU B 2 23 ? 40.151 27.180 13.169 1.00 25.34 ? 23 LEU B CG 1 ATOM 2418 C CD1 . LEU B 2 23 ? 41.221 26.118 12.931 1.00 27.11 ? 23 LEU B CD1 1 ATOM 2419 C CD2 . LEU B 2 23 ? 38.829 26.513 13.498 1.00 26.79 ? 23 LEU B CD2 1 ATOM 2420 N N . ASN B 2 24 ? 42.175 29.544 11.765 1.00 21.79 ? 24 ASN B N 1 ATOM 2421 C CA . ASN B 2 24 ? 42.098 30.396 10.587 1.00 22.79 ? 24 ASN B CA 1 ATOM 2422 C C . ASN B 2 24 ? 41.372 29.775 9.397 1.00 22.84 ? 24 ASN B C 1 ATOM 2423 O O . ASN B 2 24 ? 41.458 28.569 9.153 1.00 23.34 ? 24 ASN B O 1 ATOM 2424 C CB . ASN B 2 24 ? 43.513 30.740 10.104 1.00 22.19 ? 24 ASN B CB 1 ATOM 2425 C CG . ASN B 2 24 ? 44.308 31.532 11.117 1.00 22.82 ? 24 ASN B CG 1 ATOM 2426 O OD1 . ASN B 2 24 ? 44.134 32.742 11.249 1.00 20.30 ? 24 ASN B OD1 1 ATOM 2427 N ND2 . ASN B 2 24 ? 45.188 30.851 11.844 1.00 20.25 ? 24 ASN B ND2 1 ATOM 2428 N N . CYS B 2 25 ? 40.673 30.621 8.649 1.00 20.88 ? 25 CYS B N 1 ATOM 2429 C CA . CYS B 2 25 ? 40.015 30.203 7.417 1.00 22.65 ? 25 CYS B CA 1 ATOM 2430 C C . CYS B 2 25 ? 40.427 31.251 6.399 1.00 22.58 ? 25 CYS B C 1 ATOM 2431 O O . CYS B 2 25 ? 39.897 32.366 6.403 1.00 20.96 ? 25 CYS B O 1 ATOM 2432 C CB . CYS B 2 25 ? 38.488 30.204 7.514 1.00 22.01 ? 25 CYS B CB 1 ATOM 2433 S SG . CYS B 2 25 ? 37.755 29.718 5.915 1.00 27.90 ? 25 CYS B SG 1 ATOM 2434 N N . TYR B 2 26 ? 41.389 30.904 5.550 1.00 21.72 ? 26 TYR B N 1 ATOM 2435 C CA . TYR B 2 26 ? 41.870 31.823 4.528 1.00 22.42 ? 26 TYR B CA 1 ATOM 2436 C C . TYR B 2 26 ? 41.153 31.513 3.220 1.00 22.97 ? 26 TYR B C 1 ATOM 2437 O O . TYR B 2 26 ? 41.302 30.422 2.662 1.00 21.50 ? 26 TYR B O 1 ATOM 2438 C CB . TYR B 2 26 ? 43.386 31.666 4.375 1.00 19.86 ? 26 TYR B CB 1 ATOM 2439 C CG . TYR B 2 26 ? 44.092 32.804 3.664 1.00 18.94 ? 26 TYR B CG 1 ATOM 2440 C CD1 . TYR B 2 26 ? 43.709 34.135 3.869 1.00 20.38 ? 26 TYR B CD1 1 ATOM 2441 C CD2 . TYR B 2 26 ? 45.210 32.558 2.866 1.00 17.11 ? 26 TYR B CD2 1 ATOM 2442 C CE1 . TYR B 2 26 ? 44.434 35.192 3.302 1.00 21.12 ? 26 TYR B CE1 1 ATOM 2443 C CE2 . TYR B 2 26 ? 45.941 33.606 2.294 1.00 18.28 ? 26 TYR B CE2 1 ATOM 2444 C CZ . TYR B 2 26 ? 45.549 34.917 2.521 1.00 20.03 ? 26 TYR B CZ 1 ATOM 2445 O OH . TYR B 2 26 ? 46.295 35.948 1.997 1.00 22.79 ? 26 TYR B OH 1 ATOM 2446 N N . VAL B 2 27 ? 40.355 32.469 2.750 1.00 20.98 ? 27 VAL B N 1 ATOM 2447 C CA . VAL B 2 27 ? 39.593 32.304 1.513 1.00 22.13 ? 27 VAL B CA 1 ATOM 2448 C C . VAL B 2 27 ? 40.285 33.128 0.439 1.00 24.43 ? 27 VAL B C 1 ATOM 2449 O O . VAL B 2 27 ? 40.384 34.353 0.539 1.00 23.86 ? 27 VAL B O 1 ATOM 2450 C CB . VAL B 2 27 ? 38.139 32.761 1.712 1.00 20.61 ? 27 VAL B CB 1 ATOM 2451 C CG1 . VAL B 2 27 ? 37.327 32.516 0.446 1.00 23.05 ? 27 VAL B CG1 1 ATOM 2452 C CG2 . VAL B 2 27 ? 37.532 32.000 2.885 1.00 20.42 ? 27 VAL B CG2 1 ATOM 2453 N N . THR B 2 28 ? 40.751 32.453 -0.603 1.00 24.66 ? 28 THR B N 1 ATOM 2454 C CA . THR B 2 28 ? 41.523 33.131 -1.630 1.00 26.18 ? 28 THR B CA 1 ATOM 2455 C C . THR B 2 28 ? 41.150 32.880 -3.081 1.00 27.08 ? 28 THR B C 1 ATOM 2456 O O . THR B 2 28 ? 40.369 31.986 -3.402 1.00 26.93 ? 28 THR B O 1 ATOM 2457 C CB . THR B 2 28 ? 42.979 32.729 -1.482 1.00 26.24 ? 28 THR B CB 1 ATOM 2458 O OG1 . THR B 2 28 ? 43.109 31.345 -1.830 1.00 25.03 ? 28 THR B OG1 1 ATOM 2459 C CG2 . THR B 2 28 ? 43.432 32.899 -0.031 1.00 25.63 ? 28 THR B CG2 1 ATOM 2460 N N . GLN B 2 29 ? 41.744 33.690 -3.951 1.00 26.57 ? 29 GLN B N 1 ATOM 2461 C CA . GLN B 2 29 ? 41.565 33.580 -5.391 1.00 29.17 ? 29 GLN B CA 1 ATOM 2462 C C . GLN B 2 29 ? 40.131 33.628 -5.909 1.00 28.94 ? 29 GLN B C 1 ATOM 2463 O O . GLN B 2 29 ? 39.800 32.922 -6.857 1.00 31.42 ? 29 GLN B O 1 ATOM 2464 C CB . GLN B 2 29 ? 42.242 32.291 -5.880 1.00 32.78 ? 29 GLN B CB 1 ATOM 2465 C CG . GLN B 2 29 ? 43.745 32.235 -5.628 1.00 36.63 ? 29 GLN B CG 1 ATOM 2466 C CD . GLN B 2 29 ? 44.308 30.820 -5.709 1.00 41.96 ? 29 GLN B CD 1 ATOM 2467 O OE1 . GLN B 2 29 ? 44.026 30.079 -6.648 1.00 44.73 ? 29 GLN B OE1 1 ATOM 2468 N NE2 . GLN B 2 29 ? 45.115 30.445 -4.721 1.00 44.21 ? 29 GLN B NE2 1 ATOM 2469 N N . PHE B 2 30 ? 39.278 34.456 -5.315 1.00 27.16 ? 30 PHE B N 1 ATOM 2470 C CA . PHE B 2 30 ? 37.904 34.541 -5.794 1.00 25.98 ? 30 PHE B CA 1 ATOM 2471 C C . PHE B 2 30 ? 37.550 35.888 -6.411 1.00 27.49 ? 30 PHE B C 1 ATOM 2472 O O . PHE B 2 30 ? 38.202 36.901 -6.157 1.00 25.03 ? 30 PHE B O 1 ATOM 2473 C CB . PHE B 2 30 ? 36.901 34.220 -4.675 1.00 26.30 ? 30 PHE B CB 1 ATOM 2474 C CG . PHE B 2 30 ? 36.981 35.145 -3.485 1.00 26.61 ? 30 PHE B CG 1 ATOM 2475 C CD1 . PHE B 2 30 ? 37.974 34.982 -2.521 1.00 24.53 ? 30 PHE B CD1 1 ATOM 2476 C CD2 . PHE B 2 30 ? 36.039 36.158 -3.311 1.00 23.79 ? 30 PHE B CD2 1 ATOM 2477 C CE1 . PHE B 2 30 ? 38.023 35.810 -1.397 1.00 22.44 ? 30 PHE B CE1 1 ATOM 2478 C CE2 . PHE B 2 30 ? 36.083 36.990 -2.191 1.00 23.56 ? 30 PHE B CE2 1 ATOM 2479 C CZ . PHE B 2 30 ? 37.074 36.815 -1.232 1.00 21.64 ? 30 PHE B CZ 1 ATOM 2480 N N . HIS B 2 31 ? 36.516 35.868 -7.247 1.00 28.37 ? 31 HIS B N 1 ATOM 2481 C CA . HIS B 2 31 ? 35.995 37.055 -7.920 1.00 29.71 ? 31 HIS B CA 1 ATOM 2482 C C . HIS B 2 31 ? 34.628 36.631 -8.455 1.00 29.42 ? 31 HIS B C 1 ATOM 2483 O O . HIS B 2 31 ? 34.490 35.533 -8.989 1.00 30.53 ? 31 HIS B O 1 ATOM 2484 C CB . HIS B 2 31 ? 36.919 37.475 -9.072 1.00 29.14 ? 31 HIS B CB 1 ATOM 2485 C CG . HIS B 2 31 ? 37.060 38.962 -9.221 1.00 30.93 ? 31 HIS B CG 1 ATOM 2486 N ND1 . HIS B 2 31 ? 36.013 39.778 -9.597 1.00 28.69 ? 31 HIS B ND1 1 ATOM 2487 C CD2 . HIS B 2 31 ? 38.117 39.784 -9.006 1.00 30.30 ? 31 HIS B CD2 1 ATOM 2488 C CE1 . HIS B 2 31 ? 36.417 41.036 -9.604 1.00 29.67 ? 31 HIS B CE1 1 ATOM 2489 N NE2 . HIS B 2 31 ? 37.690 41.068 -9.250 1.00 30.39 ? 31 HIS B NE2 1 ATOM 2490 N N . PRO B 2 32 ? 33.595 37.479 -8.309 1.00 29.57 ? 32 PRO B N 1 ATOM 2491 C CA . PRO B 2 32 ? 33.537 38.809 -7.692 1.00 30.17 ? 32 PRO B CA 1 ATOM 2492 C C . PRO B 2 32 ? 33.777 38.795 -6.183 1.00 29.92 ? 32 PRO B C 1 ATOM 2493 O O . PRO B 2 32 ? 33.849 37.732 -5.567 1.00 30.08 ? 32 PRO B O 1 ATOM 2494 C CB . PRO B 2 32 ? 32.135 39.289 -8.059 1.00 31.92 ? 32 PRO B CB 1 ATOM 2495 C CG . PRO B 2 32 ? 31.348 38.014 -8.028 1.00 30.28 ? 32 PRO B CG 1 ATOM 2496 C CD . PRO B 2 32 ? 32.259 37.080 -8.787 1.00 29.43 ? 32 PRO B CD 1 ATOM 2497 N N . PRO B 2 33 ? 33.895 39.986 -5.570 1.00 29.93 ? 33 PRO B N 1 ATOM 2498 C CA . PRO B 2 33 ? 34.135 40.141 -4.134 1.00 29.78 ? 33 PRO B CA 1 ATOM 2499 C C . PRO B 2 33 ? 33.027 39.705 -3.180 1.00 29.98 ? 33 PRO B C 1 ATOM 2500 O O . PRO B 2 33 ? 33.316 39.321 -2.048 1.00 29.07 ? 33 PRO B O 1 ATOM 2501 C CB . PRO B 2 33 ? 34.468 41.626 -4.003 1.00 28.22 ? 33 PRO B CB 1 ATOM 2502 C CG . PRO B 2 33 ? 33.631 42.239 -5.068 1.00 29.16 ? 33 PRO B CG 1 ATOM 2503 C CD . PRO B 2 33 ? 33.853 41.305 -6.229 1.00 29.32 ? 33 PRO B CD 1 ATOM 2504 N N . HIS B 2 34 ? 31.769 39.764 -3.609 1.00 30.84 ? 34 HIS B N 1 ATOM 2505 C CA . HIS B 2 34 ? 30.687 39.352 -2.716 1.00 32.17 ? 34 HIS B CA 1 ATOM 2506 C C . HIS B 2 34 ? 30.934 37.919 -2.265 1.00 30.21 ? 34 HIS B C 1 ATOM 2507 O O . HIS B 2 34 ? 31.154 37.034 -3.088 1.00 30.08 ? 34 HIS B O 1 ATOM 2508 C CB . HIS B 2 34 ? 29.324 39.428 -3.404 1.00 36.19 ? 34 HIS B CB 1 ATOM 2509 C CG . HIS B 2 34 ? 28.178 39.186 -2.471 1.00 39.35 ? 34 HIS B CG 1 ATOM 2510 N ND1 . HIS B 2 34 ? 27.140 38.330 -2.768 1.00 42.47 ? 34 HIS B ND1 1 ATOM 2511 C CD2 . HIS B 2 34 ? 27.925 39.669 -1.232 1.00 41.49 ? 34 HIS B CD2 1 ATOM 2512 C CE1 . HIS B 2 34 ? 26.297 38.294 -1.751 1.00 43.67 ? 34 HIS B CE1 1 ATOM 2513 N NE2 . HIS B 2 34 ? 26.751 39.098 -0.806 1.00 43.38 ? 34 HIS B NE2 1 ATOM 2514 N N . ILE B 2 35 ? 30.895 37.689 -0.959 1.00 29.78 ? 35 ILE B N 1 ATOM 2515 C CA . ILE B 2 35 ? 31.149 36.356 -0.434 1.00 29.20 ? 35 ILE B CA 1 ATOM 2516 C C . ILE B 2 35 ? 30.685 36.266 1.015 1.00 29.65 ? 35 ILE B C 1 ATOM 2517 O O . ILE B 2 35 ? 30.630 37.268 1.721 1.00 29.51 ? 35 ILE B O 1 ATOM 2518 C CB . ILE B 2 35 ? 32.665 36.034 -0.527 1.00 27.28 ? 35 ILE B CB 1 ATOM 2519 C CG1 . ILE B 2 35 ? 32.900 34.527 -0.398 1.00 28.23 ? 35 ILE B CG1 1 ATOM 2520 C CG2 . ILE B 2 35 ? 33.426 36.796 0.561 1.00 27.02 ? 35 ILE B CG2 1 ATOM 2521 C CD1 . ILE B 2 35 ? 34.319 34.108 -0.735 1.00 25.04 ? 35 ILE B CD1 1 ATOM 2522 N N . GLU B 2 36 ? 30.337 35.061 1.448 1.00 31.11 ? 36 GLU B N 1 ATOM 2523 C CA . GLU B 2 36 ? 29.890 34.839 2.815 1.00 33.09 ? 36 GLU B CA 1 ATOM 2524 C C . GLU B 2 36 ? 30.797 33.786 3.430 1.00 31.76 ? 36 GLU B C 1 ATOM 2525 O O . GLU B 2 36 ? 30.964 32.694 2.880 1.00 32.94 ? 36 GLU B O 1 ATOM 2526 C CB . GLU B 2 36 ? 28.430 34.377 2.825 1.00 37.34 ? 36 GLU B CB 1 ATOM 2527 C CG . GLU B 2 36 ? 27.465 35.432 2.286 1.00 43.94 ? 36 GLU B CG 1 ATOM 2528 C CD . GLU B 2 36 ? 26.058 34.899 2.059 1.00 49.06 ? 36 GLU B CD 1 ATOM 2529 O OE1 . GLU B 2 36 ? 25.443 34.388 3.025 1.00 51.01 ? 36 GLU B OE1 1 ATOM 2530 O OE2 . GLU B 2 36 ? 25.569 34.998 0.909 1.00 51.20 ? 36 GLU B OE2 1 ATOM 2531 N N . ILE B 2 37 ? 31.390 34.130 4.567 1.00 30.12 ? 37 ILE B N 1 ATOM 2532 C CA . ILE B 2 37 ? 32.315 33.245 5.255 1.00 29.40 ? 37 ILE B CA 1 ATOM 2533 C C . ILE B 2 37 ? 31.899 33.064 6.705 1.00 30.92 ? 37 ILE B C 1 ATOM 2534 O O . ILE B 2 37 ? 31.684 34.035 7.429 1.00 31.16 ? 37 ILE B O 1 ATOM 2535 C CB . ILE B 2 37 ? 33.745 33.819 5.201 1.00 27.76 ? 37 ILE B CB 1 ATOM 2536 C CG1 . ILE B 2 37 ? 34.162 34.005 3.740 1.00 26.75 ? 37 ILE B CG1 1 ATOM 2537 C CG2 . ILE B 2 37 ? 34.715 32.895 5.929 1.00 27.07 ? 37 ILE B CG2 1 ATOM 2538 C CD1 . ILE B 2 37 ? 35.497 34.712 3.562 1.00 26.33 ? 37 ILE B CD1 1 ATOM 2539 N N . GLN B 2 38 ? 31.807 31.810 7.128 1.00 30.44 ? 38 GLN B N 1 ATOM 2540 C CA . GLN B 2 38 ? 31.392 31.498 8.480 1.00 32.09 ? 38 GLN B CA 1 ATOM 2541 C C . GLN B 2 38 ? 32.253 30.381 9.056 1.00 30.32 ? 38 GLN B C 1 ATOM 2542 O O . GLN B 2 38 ? 32.572 29.418 8.362 1.00 31.78 ? 38 GLN B O 1 ATOM 2543 C CB . GLN B 2 38 ? 29.922 31.067 8.448 1.00 36.13 ? 38 GLN B CB 1 ATOM 2544 C CG . GLN B 2 38 ? 29.250 30.947 9.793 1.00 42.60 ? 38 GLN B CG 1 ATOM 2545 C CD . GLN B 2 38 ? 27.800 30.515 9.662 1.00 47.39 ? 38 GLN B CD 1 ATOM 2546 O OE1 . GLN B 2 38 ? 27.007 31.150 8.959 1.00 48.30 ? 38 GLN B OE1 1 ATOM 2547 N NE2 . GLN B 2 38 ? 27.447 29.429 10.339 1.00 49.06 ? 38 GLN B NE2 1 ATOM 2548 N N . MET B 2 39 ? 32.637 30.518 10.319 1.00 27.87 ? 39 MET B N 1 ATOM 2549 C CA . MET B 2 39 ? 33.439 29.496 10.977 1.00 28.47 ? 39 MET B CA 1 ATOM 2550 C C . MET B 2 39 ? 32.494 28.746 11.909 1.00 28.33 ? 39 MET B C 1 ATOM 2551 O O . MET B 2 39 ? 31.638 29.355 12.543 1.00 29.94 ? 39 MET B O 1 ATOM 2552 C CB . MET B 2 39 ? 34.599 30.140 11.744 1.00 28.06 ? 39 MET B CB 1 ATOM 2553 C CG . MET B 2 39 ? 35.569 30.885 10.828 1.00 27.40 ? 39 MET B CG 1 ATOM 2554 S SD . MET B 2 39 ? 37.126 31.327 11.618 1.00 29.80 ? 39 MET B SD 1 ATOM 2555 C CE . MET B 2 39 ? 37.968 29.747 11.587 1.00 23.71 ? 39 MET B CE 1 ATOM 2556 N N . LEU B 2 40 ? 32.643 27.427 11.984 1.00 29.96 ? 40 LEU B N 1 ATOM 2557 C CA . LEU B 2 40 ? 31.747 26.607 12.795 1.00 29.87 ? 40 LEU B CA 1 ATOM 2558 C C . LEU B 2 40 ? 32.427 25.659 13.764 1.00 29.64 ? 40 LEU B C 1 ATOM 2559 O O . LEU B 2 40 ? 33.438 25.038 13.442 1.00 31.05 ? 40 LEU B O 1 ATOM 2560 C CB . LEU B 2 40 ? 30.852 25.783 11.872 1.00 32.76 ? 40 LEU B CB 1 ATOM 2561 C CG . LEU B 2 40 ? 30.108 26.554 10.784 1.00 33.88 ? 40 LEU B CG 1 ATOM 2562 C CD1 . LEU B 2 40 ? 29.874 25.662 9.581 1.00 37.71 ? 40 LEU B CD1 1 ATOM 2563 C CD2 . LEU B 2 40 ? 28.811 27.073 11.348 1.00 35.63 ? 40 LEU B CD2 1 ATOM 2564 N N . LYS B 2 41 ? 31.848 25.548 14.953 1.00 28.07 ? 41 LYS B N 1 ATOM 2565 C CA . LYS B 2 41 ? 32.347 24.650 15.981 1.00 29.28 ? 41 LYS B CA 1 ATOM 2566 C C . LYS B 2 41 ? 31.248 23.610 16.184 1.00 29.55 ? 41 LYS B C 1 ATOM 2567 O O . LYS B 2 41 ? 30.128 23.953 16.561 1.00 30.44 ? 41 LYS B O 1 ATOM 2568 C CB . LYS B 2 41 ? 32.587 25.395 17.298 1.00 28.46 ? 41 LYS B CB 1 ATOM 2569 C CG . LYS B 2 41 ? 33.148 24.497 18.393 1.00 29.14 ? 41 LYS B CG 1 ATOM 2570 C CD . LYS B 2 41 ? 33.210 25.190 19.742 1.00 29.70 ? 41 LYS B CD 1 ATOM 2571 C CE . LYS B 2 41 ? 33.853 24.272 20.774 1.00 30.33 ? 41 LYS B CE 1 ATOM 2572 N NZ . LYS B 2 41 ? 33.942 24.904 22.122 1.00 32.14 ? 41 LYS B NZ 1 ATOM 2573 N N . ASN B 2 42 ? 31.564 22.347 15.922 1.00 30.56 ? 42 ASN B N 1 ATOM 2574 C CA . ASN B 2 42 ? 30.588 21.274 16.070 1.00 30.02 ? 42 ASN B CA 1 ATOM 2575 C C . ASN B 2 42 ? 29.275 21.595 15.355 1.00 30.27 ? 42 ASN B C 1 ATOM 2576 O O . ASN B 2 42 ? 28.185 21.382 15.896 1.00 30.43 ? 42 ASN B O 1 ATOM 2577 C CB . ASN B 2 42 ? 30.324 21.002 17.552 1.00 29.05 ? 42 ASN B CB 1 ATOM 2578 C CG . ASN B 2 42 ? 31.553 20.511 18.274 1.00 29.71 ? 42 ASN B CG 1 ATOM 2579 O OD1 . ASN B 2 42 ? 32.283 19.659 17.766 1.00 32.33 ? 42 ASN B OD1 1 ATOM 2580 N ND2 . ASN B 2 42 ? 31.791 21.038 19.472 1.00 31.04 ? 42 ASN B ND2 1 ATOM 2581 N N . GLY B 2 43 ? 29.390 22.123 14.140 1.00 31.64 ? 43 GLY B N 1 ATOM 2582 C CA . GLY B 2 43 ? 28.215 22.452 13.350 1.00 33.04 ? 43 GLY B CA 1 ATOM 2583 C C . GLY B 2 43 ? 27.500 23.724 13.752 1.00 34.69 ? 43 GLY B C 1 ATOM 2584 O O . GLY B 2 43 ? 26.509 24.103 13.131 1.00 35.01 ? 43 GLY B O 1 ATOM 2585 N N . LYS B 2 44 ? 27.997 24.390 14.788 1.00 35.99 ? 44 LYS B N 1 ATOM 2586 C CA . LYS B 2 44 ? 27.379 25.625 15.259 1.00 37.10 ? 44 LYS B CA 1 ATOM 2587 C C . LYS B 2 44 ? 28.265 26.831 14.941 1.00 36.16 ? 44 LYS B C 1 ATOM 2588 O O . LYS B 2 44 ? 29.472 26.811 15.176 1.00 34.23 ? 44 LYS B O 1 ATOM 2589 C CB . LYS B 2 44 ? 27.139 25.539 16.766 1.00 38.47 ? 44 LYS B CB 1 ATOM 2590 C CG . LYS B 2 44 ? 26.265 26.643 17.316 1.00 42.57 ? 44 LYS B CG 1 ATOM 2591 C CD . LYS B 2 44 ? 26.101 26.505 18.823 1.00 46.10 ? 44 LYS B CD 1 ATOM 2592 C CE . LYS B 2 44 ? 25.099 27.515 19.359 1.00 47.66 ? 44 LYS B CE 1 ATOM 2593 N NZ . LYS B 2 44 ? 23.751 27.293 18.766 1.00 51.10 ? 44 LYS B NZ 1 ATOM 2594 N N . LYS B 2 45 ? 27.653 27.881 14.406 1.00 35.59 ? 45 LYS B N 1 ATOM 2595 C CA . LYS B 2 45 ? 28.374 29.092 14.044 1.00 36.34 ? 45 LYS B CA 1 ATOM 2596 C C . LYS B 2 45 ? 29.104 29.740 15.218 1.00 35.60 ? 45 LYS B C 1 ATOM 2597 O O . LYS B 2 45 ? 28.533 29.911 16.297 1.00 34.72 ? 45 LYS B O 1 ATOM 2598 C CB . LYS B 2 45 ? 27.401 30.092 13.419 1.00 37.89 ? 45 LYS B CB 1 ATOM 2599 C CG . LYS B 2 45 ? 27.982 31.467 13.174 1.00 42.39 ? 45 LYS B CG 1 ATOM 2600 C CD . LYS B 2 45 ? 27.006 32.332 12.388 1.00 44.81 ? 45 LYS B CD 1 ATOM 2601 C CE . LYS B 2 45 ? 27.362 33.805 12.498 1.00 45.94 ? 45 LYS B CE 1 ATOM 2602 N NZ . LYS B 2 45 ? 27.184 34.294 13.902 1.00 47.67 ? 45 LYS B NZ 1 ATOM 2603 N N . ILE B 2 46 ? 30.374 30.083 15.004 1.00 34.15 ? 46 ILE B N 1 ATOM 2604 C CA . ILE B 2 46 ? 31.182 30.734 16.032 1.00 32.96 ? 46 ILE B CA 1 ATOM 2605 C C . ILE B 2 46 ? 30.878 32.234 15.982 1.00 35.22 ? 46 ILE B C 1 ATOM 2606 O O . ILE B 2 46 ? 30.939 32.858 14.922 1.00 34.57 ? 46 ILE B O 1 ATOM 2607 C CB . ILE B 2 46 ? 32.692 30.508 15.788 1.00 31.86 ? 46 ILE B CB 1 ATOM 2608 C CG1 . ILE B 2 46 ? 33.008 29.008 15.820 1.00 29.98 ? 46 ILE B CG1 1 ATOM 2609 C CG2 . ILE B 2 46 ? 33.508 31.224 16.858 1.00 29.27 ? 46 ILE B CG2 1 ATOM 2610 C CD1 . ILE B 2 46 ? 34.479 28.684 15.597 1.00 29.31 ? 46 ILE B CD1 1 ATOM 2611 N N . PRO B 2 47 ? 30.546 32.835 17.132 1.00 36.91 ? 47 PRO B N 1 ATOM 2612 C CA . PRO B 2 47 ? 30.230 34.267 17.175 1.00 38.81 ? 47 PRO B CA 1 ATOM 2613 C C . PRO B 2 47 ? 31.408 35.242 17.090 1.00 39.52 ? 47 PRO B C 1 ATOM 2614 O O . PRO B 2 47 ? 31.332 36.251 16.392 1.00 41.14 ? 47 PRO B O 1 ATOM 2615 C CB . PRO B 2 47 ? 29.468 34.404 18.491 1.00 37.80 ? 47 PRO B CB 1 ATOM 2616 C CG . PRO B 2 47 ? 30.180 33.417 19.366 1.00 38.06 ? 47 PRO B CG 1 ATOM 2617 C CD . PRO B 2 47 ? 30.354 32.212 18.455 1.00 37.05 ? 47 PRO B CD 1 ATOM 2618 N N . LYS B 2 48 ? 32.493 34.942 17.793 1.00 40.54 ? 48 LYS B N 1 ATOM 2619 C CA . LYS B 2 48 ? 33.654 35.830 17.807 1.00 44.40 ? 48 LYS B CA 1 ATOM 2620 C C . LYS B 2 48 ? 34.638 35.600 16.656 1.00 42.85 ? 48 LYS B C 1 ATOM 2621 O O . LYS B 2 48 ? 35.749 35.100 16.874 1.00 44.23 ? 48 LYS B O 1 ATOM 2622 C CB . LYS B 2 48 ? 34.389 35.692 19.149 1.00 47.53 ? 48 LYS B CB 1 ATOM 2623 C CG . LYS B 2 48 ? 35.549 36.666 19.338 1.00 52.35 ? 48 LYS B CG 1 ATOM 2624 C CD . LYS B 2 48 ? 36.299 36.398 20.640 1.00 55.27 ? 48 LYS B CD 1 ATOM 2625 C CE . LYS B 2 48 ? 36.899 34.996 20.661 1.00 56.54 ? 48 LYS B CE 1 ATOM 2626 N NZ . LYS B 2 48 ? 37.683 34.745 21.902 1.00 57.26 ? 48 LYS B NZ 1 ATOM 2627 N N . VAL B 2 49 ? 34.242 35.973 15.439 1.00 38.13 ? 49 VAL B N 1 ATOM 2628 C CA . VAL B 2 49 ? 35.115 35.791 14.283 1.00 33.30 ? 49 VAL B CA 1 ATOM 2629 C C . VAL B 2 49 ? 35.573 37.127 13.705 1.00 32.15 ? 49 VAL B C 1 ATOM 2630 O O . VAL B 2 49 ? 34.761 37.976 13.349 1.00 28.86 ? 49 VAL B O 1 ATOM 2631 C CB . VAL B 2 49 ? 34.424 34.972 13.167 1.00 31.72 ? 49 VAL B CB 1 ATOM 2632 C CG1 . VAL B 2 49 ? 35.371 34.799 11.991 1.00 28.20 ? 49 VAL B CG1 1 ATOM 2633 C CG2 . VAL B 2 49 ? 34.011 33.614 13.701 1.00 31.17 ? 49 VAL B CG2 1 ATOM 2634 N N . GLU B 2 50 ? 36.886 37.298 13.608 1.00 30.33 ? 50 GLU B N 1 ATOM 2635 C CA . GLU B 2 50 ? 37.457 38.528 13.083 1.00 30.52 ? 50 GLU B CA 1 ATOM 2636 C C . GLU B 2 50 ? 37.832 38.362 11.613 1.00 27.77 ? 50 GLU B C 1 ATOM 2637 O O . GLU B 2 50 ? 38.442 37.365 11.228 1.00 27.11 ? 50 GLU B O 1 ATOM 2638 C CB . GLU B 2 50 ? 38.703 38.906 13.898 1.00 33.76 ? 50 GLU B CB 1 ATOM 2639 C CG . GLU B 2 50 ? 38.473 38.894 15.410 1.00 40.89 ? 50 GLU B CG 1 ATOM 2640 C CD . GLU B 2 50 ? 39.763 38.996 16.219 1.00 45.55 ? 50 GLU B CD 1 ATOM 2641 O OE1 . GLU B 2 50 ? 40.423 40.057 16.172 1.00 49.06 ? 50 GLU B OE1 1 ATOM 2642 O OE2 . GLU B 2 50 ? 40.119 38.009 16.903 1.00 47.87 ? 50 GLU B OE2 1 ATOM 2643 N N . MET B 2 51 ? 37.448 39.333 10.793 1.00 24.29 ? 51 MET B N 1 ATOM 2644 C CA . MET B 2 51 ? 37.780 39.313 9.376 1.00 25.45 ? 51 MET B CA 1 ATOM 2645 C C . MET B 2 51 ? 38.983 40.244 9.208 1.00 25.79 ? 51 MET B C 1 ATOM 2646 O O . MET B 2 51 ? 38.980 41.359 9.736 1.00 26.22 ? 51 MET B O 1 ATOM 2647 C CB . MET B 2 51 ? 36.599 39.817 8.541 1.00 22.82 ? 51 MET B CB 1 ATOM 2648 C CG . MET B 2 51 ? 35.371 38.932 8.629 1.00 25.83 ? 51 MET B CG 1 ATOM 2649 S SD . MET B 2 51 ? 35.723 37.175 8.274 1.00 27.16 ? 51 MET B SD 1 ATOM 2650 C CE . MET B 2 51 ? 36.007 37.255 6.551 1.00 24.20 ? 51 MET B CE 1 ATOM 2651 N N . SER B 2 52 ? 40.010 39.791 8.494 1.00 22.77 ? 52 SER B N 1 ATOM 2652 C CA . SER B 2 52 ? 41.200 40.614 8.303 1.00 22.29 ? 52 SER B CA 1 ATOM 2653 C C . SER B 2 52 ? 42.011 40.202 7.086 1.00 22.81 ? 52 SER B C 1 ATOM 2654 O O . SER B 2 52 ? 41.656 39.265 6.364 1.00 20.25 ? 52 SER B O 1 ATOM 2655 C CB . SER B 2 52 ? 42.102 40.530 9.536 1.00 23.61 ? 52 SER B CB 1 ATOM 2656 O OG . SER B 2 52 ? 42.733 39.260 9.609 1.00 25.59 ? 52 SER B OG 1 ATOM 2657 N N . ASP B 2 53 ? 43.112 40.917 6.877 1.00 21.17 ? 53 ASP B N 1 ATOM 2658 C CA . ASP B 2 53 ? 44.025 40.664 5.775 1.00 21.38 ? 53 ASP B CA 1 ATOM 2659 C C . ASP B 2 53 ? 43.394 40.584 4.401 1.00 21.93 ? 53 ASP B C 1 ATOM 2660 O O . ASP B 2 53 ? 43.744 39.719 3.595 1.00 21.85 ? 53 ASP B O 1 ATOM 2661 C CB . ASP B 2 53 ? 44.819 39.391 6.047 1.00 23.20 ? 53 ASP B CB 1 ATOM 2662 C CG . ASP B 2 53 ? 45.733 39.539 7.231 1.00 25.37 ? 53 ASP B CG 1 ATOM 2663 O OD1 . ASP B 2 53 ? 46.860 40.049 7.051 1.00 30.18 ? 53 ASP B OD1 1 ATOM 2664 O OD2 . ASP B 2 53 ? 45.317 39.167 8.345 1.00 25.71 ? 53 ASP B OD2 1 ATOM 2665 N N . MET B 2 54 ? 42.471 41.490 4.119 1.00 21.32 ? 54 MET B N 1 ATOM 2666 C CA . MET B 2 54 ? 41.847 41.493 2.810 1.00 23.11 ? 54 MET B CA 1 ATOM 2667 C C . MET B 2 54 ? 42.811 42.118 1.820 1.00 22.06 ? 54 MET B C 1 ATOM 2668 O O . MET B 2 54 ? 43.419 43.154 2.110 1.00 23.35 ? 54 MET B O 1 ATOM 2669 C CB . MET B 2 54 ? 40.564 42.313 2.818 1.00 24.42 ? 54 MET B CB 1 ATOM 2670 C CG . MET B 2 54 ? 39.774 42.163 1.542 1.00 31.00 ? 54 MET B CG 1 ATOM 2671 S SD . MET B 2 54 ? 38.710 43.561 1.219 1.00 41.73 ? 54 MET B SD 1 ATOM 2672 C CE . MET B 2 54 ? 39.696 44.376 -0.007 1.00 36.88 ? 54 MET B CE 1 ATOM 2673 N N . SER B 2 55 ? 42.956 41.496 0.655 1.00 20.58 ? 55 SER B N 1 ATOM 2674 C CA . SER B 2 55 ? 43.825 42.045 -0.377 1.00 22.11 ? 55 SER B CA 1 ATOM 2675 C C . SER B 2 55 ? 43.519 41.376 -1.711 1.00 22.02 ? 55 SER B C 1 ATOM 2676 O O . SER B 2 55 ? 42.582 40.585 -1.806 1.00 21.81 ? 55 SER B O 1 ATOM 2677 C CB . SER B 2 55 ? 45.299 41.829 -0.006 1.00 21.10 ? 55 SER B CB 1 ATOM 2678 O OG . SER B 2 55 ? 45.677 40.471 -0.156 1.00 20.82 ? 55 SER B OG 1 ATOM 2679 N N . PHE B 2 56 ? 44.263 41.745 -2.751 1.00 21.79 ? 56 PHE B N 1 ATOM 2680 C CA . PHE B 2 56 ? 44.106 41.100 -4.048 1.00 23.97 ? 56 PHE B CA 1 ATOM 2681 C C . PHE B 2 56 ? 45.487 40.787 -4.591 1.00 24.81 ? 56 PHE B C 1 ATOM 2682 O O . PHE B 2 56 ? 46.458 41.459 -4.264 1.00 25.15 ? 56 PHE B O 1 ATOM 2683 C CB . PHE B 2 56 ? 43.369 41.929 -5.118 1.00 24.62 ? 56 PHE B CB 1 ATOM 2684 C CG . PHE B 2 56 ? 42.945 43.309 -4.701 1.00 24.33 ? 56 PHE B CG 1 ATOM 2685 C CD1 . PHE B 2 56 ? 41.850 43.499 -3.867 1.00 22.94 ? 56 PHE B CD1 1 ATOM 2686 C CD2 . PHE B 2 56 ? 43.559 44.426 -5.261 1.00 24.89 ? 56 PHE B CD2 1 ATOM 2687 C CE1 . PHE B 2 56 ? 41.365 44.780 -3.609 1.00 24.62 ? 56 PHE B CE1 1 ATOM 2688 C CE2 . PHE B 2 56 ? 43.078 45.713 -5.005 1.00 23.19 ? 56 PHE B CE2 1 ATOM 2689 C CZ . PHE B 2 56 ? 41.980 45.884 -4.182 1.00 22.36 ? 56 PHE B CZ 1 ATOM 2690 N N . SER B 2 57 ? 45.561 39.763 -5.428 1.00 25.81 ? 57 SER B N 1 ATOM 2691 C CA . SER B 2 57 ? 46.817 39.355 -6.026 1.00 28.77 ? 57 SER B CA 1 ATOM 2692 C C . SER B 2 57 ? 47.025 40.120 -7.328 1.00 30.47 ? 57 SER B C 1 ATOM 2693 O O . SER B 2 57 ? 46.239 41.011 -7.663 1.00 30.99 ? 57 SER B O 1 ATOM 2694 C CB . SER B 2 57 ? 46.784 37.858 -6.314 1.00 27.84 ? 57 SER B CB 1 ATOM 2695 O OG . SER B 2 57 ? 45.682 37.556 -7.147 1.00 26.68 ? 57 SER B OG 1 ATOM 2696 N N . LYS B 2 58 ? 48.081 39.756 -8.052 1.00 32.08 ? 58 LYS B N 1 ATOM 2697 C CA . LYS B 2 58 ? 48.428 40.377 -9.330 1.00 34.13 ? 58 LYS B CA 1 ATOM 2698 C C . LYS B 2 58 ? 47.277 40.307 -10.321 1.00 32.60 ? 58 LYS B C 1 ATOM 2699 O O . LYS B 2 58 ? 47.043 41.256 -11.069 1.00 33.19 ? 58 LYS B O 1 ATOM 2700 C CB . LYS B 2 58 ? 49.644 39.684 -9.957 1.00 37.12 ? 58 LYS B CB 1 ATOM 2701 C CG . LYS B 2 58 ? 50.945 39.890 -9.213 1.00 43.96 ? 58 LYS B CG 1 ATOM 2702 C CD . LYS B 2 58 ? 52.135 39.320 -9.986 1.00 47.54 ? 58 LYS B CD 1 ATOM 2703 C CE . LYS B 2 58 ? 52.217 37.793 -9.903 1.00 50.25 ? 58 LYS B CE 1 ATOM 2704 N NZ . LYS B 2 58 ? 51.097 37.085 -10.586 1.00 52.32 ? 58 LYS B NZ 1 ATOM 2705 N N . ASP B 2 59 ? 46.566 39.182 -10.327 1.00 29.95 ? 59 ASP B N 1 ATOM 2706 C CA . ASP B 2 59 ? 45.453 38.994 -11.243 1.00 29.08 ? 59 ASP B CA 1 ATOM 2707 C C . ASP B 2 59 ? 44.127 39.543 -10.713 1.00 27.75 ? 59 ASP B C 1 ATOM 2708 O O . ASP B 2 59 ? 43.063 39.219 -11.240 1.00 27.23 ? 59 ASP B O 1 ATOM 2709 C CB . ASP B 2 59 ? 45.305 37.507 -11.611 1.00 32.14 ? 59 ASP B CB 1 ATOM 2710 C CG . ASP B 2 59 ? 44.779 36.655 -10.465 1.00 34.34 ? 59 ASP B CG 1 ATOM 2711 O OD1 . ASP B 2 59 ? 44.641 35.429 -10.658 1.00 38.33 ? 59 ASP B OD1 1 ATOM 2712 O OD2 . ASP B 2 59 ? 44.502 37.195 -9.376 1.00 36.68 ? 59 ASP B OD2 1 ATOM 2713 N N . TRP B 2 60 ? 44.203 40.355 -9.660 1.00 26.02 ? 60 TRP B N 1 ATOM 2714 C CA . TRP B 2 60 ? 43.032 40.998 -9.059 1.00 24.30 ? 60 TRP B CA 1 ATOM 2715 C C . TRP B 2 60 ? 42.055 40.133 -8.267 1.00 24.93 ? 60 TRP B C 1 ATOM 2716 O O . TRP B 2 60 ? 41.039 40.637 -7.795 1.00 24.73 ? 60 TRP B O 1 ATOM 2717 C CB . TRP B 2 60 ? 42.253 41.757 -10.135 1.00 21.86 ? 60 TRP B CB 1 ATOM 2718 C CG . TRP B 2 60 ? 43.095 42.757 -10.851 1.00 21.14 ? 60 TRP B CG 1 ATOM 2719 C CD1 . TRP B 2 60 ? 43.591 42.655 -12.116 1.00 21.93 ? 60 TRP B CD1 1 ATOM 2720 C CD2 . TRP B 2 60 ? 43.584 43.993 -10.326 1.00 20.12 ? 60 TRP B CD2 1 ATOM 2721 N NE1 . TRP B 2 60 ? 44.361 43.748 -12.413 1.00 18.93 ? 60 TRP B NE1 1 ATOM 2722 C CE2 . TRP B 2 60 ? 44.375 44.588 -11.332 1.00 20.94 ? 60 TRP B CE2 1 ATOM 2723 C CE3 . TRP B 2 60 ? 43.431 44.656 -9.103 1.00 18.28 ? 60 TRP B CE3 1 ATOM 2724 C CZ2 . TRP B 2 60 ? 45.014 45.823 -11.153 1.00 20.56 ? 60 TRP B CZ2 1 ATOM 2725 C CZ3 . TRP B 2 60 ? 44.064 45.884 -8.925 1.00 21.69 ? 60 TRP B CZ3 1 ATOM 2726 C CH2 . TRP B 2 60 ? 44.846 46.454 -9.946 1.00 21.80 ? 60 TRP B CH2 1 ATOM 2727 N N . SER B 2 61 ? 42.338 38.843 -8.116 1.00 24.00 ? 61 SER B N 1 ATOM 2728 C CA . SER B 2 61 ? 41.432 37.996 -7.349 1.00 23.76 ? 61 SER B CA 1 ATOM 2729 C C . SER B 2 61 ? 41.529 38.394 -5.872 1.00 22.65 ? 61 SER B C 1 ATOM 2730 O O . SER B 2 61 ? 42.585 38.822 -5.400 1.00 22.77 ? 61 SER B O 1 ATOM 2731 C CB . SER B 2 61 ? 41.788 36.517 -7.542 1.00 25.02 ? 61 SER B CB 1 ATOM 2732 O OG . SER B 2 61 ? 43.096 36.247 -7.078 1.00 32.74 ? 61 SER B OG 1 ATOM 2733 N N . PHE B 2 62 ? 40.425 38.262 -5.147 1.00 23.79 ? 62 PHE B N 1 ATOM 2734 C CA . PHE B 2 62 ? 40.388 38.636 -3.739 1.00 23.79 ? 62 PHE B CA 1 ATOM 2735 C C . PHE B 2 62 ? 40.899 37.586 -2.761 1.00 25.44 ? 62 PHE B C 1 ATOM 2736 O O . PHE B 2 62 ? 40.805 36.381 -3.007 1.00 24.21 ? 62 PHE B O 1 ATOM 2737 C CB . PHE B 2 62 ? 38.965 39.038 -3.337 1.00 23.69 ? 62 PHE B CB 1 ATOM 2738 C CG . PHE B 2 62 ? 38.500 40.322 -3.964 1.00 25.27 ? 62 PHE B CG 1 ATOM 2739 C CD1 . PHE B 2 62 ? 38.047 40.350 -5.279 1.00 26.25 ? 62 PHE B CD1 1 ATOM 2740 C CD2 . PHE B 2 62 ? 38.529 41.510 -3.244 1.00 25.96 ? 62 PHE B CD2 1 ATOM 2741 C CE1 . PHE B 2 62 ? 37.629 41.551 -5.865 1.00 24.40 ? 62 PHE B CE1 1 ATOM 2742 C CE2 . PHE B 2 62 ? 38.114 42.712 -3.823 1.00 24.78 ? 62 PHE B CE2 1 ATOM 2743 C CZ . PHE B 2 62 ? 37.665 42.728 -5.134 1.00 24.09 ? 62 PHE B CZ 1 ATOM 2744 N N . TYR B 2 63 ? 41.442 38.077 -1.648 1.00 23.45 ? 63 TYR B N 1 ATOM 2745 C CA . TYR B 2 63 ? 41.973 37.256 -0.565 1.00 22.93 ? 63 TYR B CA 1 ATOM 2746 C C . TYR B 2 63 ? 41.468 37.851 0.750 1.00 22.23 ? 63 TYR B C 1 ATOM 2747 O O . TYR B 2 63 ? 41.443 39.074 0.906 1.00 22.43 ? 63 TYR B O 1 ATOM 2748 C CB . TYR B 2 63 ? 43.511 37.307 -0.544 1.00 23.38 ? 63 TYR B CB 1 ATOM 2749 C CG . TYR B 2 63 ? 44.224 36.501 -1.608 1.00 23.90 ? 63 TYR B CG 1 ATOM 2750 C CD1 . TYR B 2 63 ? 43.946 36.684 -2.963 1.00 24.00 ? 63 TYR B CD1 1 ATOM 2751 C CD2 . TYR B 2 63 ? 45.217 35.581 -1.258 1.00 25.58 ? 63 TYR B CD2 1 ATOM 2752 C CE1 . TYR B 2 63 ? 44.638 35.976 -3.943 1.00 26.70 ? 63 TYR B CE1 1 ATOM 2753 C CE2 . TYR B 2 63 ? 45.915 34.870 -2.230 1.00 26.86 ? 63 TYR B CE2 1 ATOM 2754 C CZ . TYR B 2 63 ? 45.622 35.072 -3.569 1.00 26.36 ? 63 TYR B CZ 1 ATOM 2755 O OH . TYR B 2 63 ? 46.317 34.379 -4.534 1.00 30.31 ? 63 TYR B OH 1 ATOM 2756 N N . ILE B 2 64 ? 41.066 37.003 1.691 1.00 20.54 ? 64 ILE B N 1 ATOM 2757 C CA . ILE B 2 64 ? 40.613 37.490 2.988 1.00 20.93 ? 64 ILE B CA 1 ATOM 2758 C C . ILE B 2 64 ? 40.680 36.407 4.057 1.00 21.08 ? 64 ILE B C 1 ATOM 2759 O O . ILE B 2 64 ? 40.433 35.228 3.784 1.00 19.89 ? 64 ILE B O 1 ATOM 2760 C CB . ILE B 2 64 ? 39.178 38.076 2.926 1.00 24.15 ? 64 ILE B CB 1 ATOM 2761 C CG1 . ILE B 2 64 ? 38.913 38.895 4.193 1.00 22.29 ? 64 ILE B CG1 1 ATOM 2762 C CG2 . ILE B 2 64 ? 38.148 36.967 2.795 1.00 22.20 ? 64 ILE B CG2 1 ATOM 2763 C CD1 . ILE B 2 64 ? 37.640 39.709 4.136 1.00 25.75 ? 64 ILE B CD1 1 ATOM 2764 N N . LEU B 2 65 ? 41.020 36.822 5.275 1.00 18.88 ? 65 LEU B N 1 ATOM 2765 C CA . LEU B 2 65 ? 41.160 35.909 6.399 1.00 19.82 ? 65 LEU B CA 1 ATOM 2766 C C . LEU B 2 65 ? 40.111 36.050 7.488 1.00 21.91 ? 65 LEU B C 1 ATOM 2767 O O . LEU B 2 65 ? 39.782 37.154 7.919 1.00 21.87 ? 65 LEU B O 1 ATOM 2768 C CB . LEU B 2 65 ? 42.536 36.080 7.045 1.00 19.57 ? 65 LEU B CB 1 ATOM 2769 C CG . LEU B 2 65 ? 42.852 35.192 8.258 1.00 22.91 ? 65 LEU B CG 1 ATOM 2770 C CD1 . LEU B 2 65 ? 43.027 33.730 7.823 1.00 20.87 ? 65 LEU B CD1 1 ATOM 2771 C CD2 . LEU B 2 65 ? 44.127 35.694 8.931 1.00 21.97 ? 65 LEU B CD2 1 ATOM 2772 N N . ALA B 2 66 ? 39.590 34.910 7.928 1.00 20.12 ? 66 ALA B N 1 ATOM 2773 C CA . ALA B 2 66 ? 38.631 34.874 9.019 1.00 20.70 ? 66 ALA B CA 1 ATOM 2774 C C . ALA B 2 66 ? 39.382 34.093 10.084 1.00 20.74 ? 66 ALA B C 1 ATOM 2775 O O . ALA B 2 66 ? 39.977 33.054 9.786 1.00 21.16 ? 66 ALA B O 1 ATOM 2776 C CB . ALA B 2 66 ? 37.367 34.126 8.607 1.00 19.82 ? 66 ALA B CB 1 ATOM 2777 N N . HIS B 2 67 ? 39.394 34.589 11.312 1.00 20.77 ? 67 HIS B N 1 ATOM 2778 C CA . HIS B 2 67 ? 40.094 33.872 12.365 1.00 20.79 ? 67 HIS B CA 1 ATOM 2779 C C . HIS B 2 67 ? 39.422 34.074 13.705 1.00 23.32 ? 67 HIS B C 1 ATOM 2780 O O . HIS B 2 67 ? 38.667 35.030 13.904 1.00 22.96 ? 67 HIS B O 1 ATOM 2781 C CB . HIS B 2 67 ? 41.573 34.283 12.418 1.00 20.37 ? 67 HIS B CB 1 ATOM 2782 C CG . HIS B 2 67 ? 41.802 35.734 12.707 1.00 23.55 ? 67 HIS B CG 1 ATOM 2783 N ND1 . HIS B 2 67 ? 42.010 36.215 13.981 1.00 24.56 ? 67 HIS B ND1 1 ATOM 2784 C CD2 . HIS B 2 67 ? 41.890 36.805 11.883 1.00 23.46 ? 67 HIS B CD2 1 ATOM 2785 C CE1 . HIS B 2 67 ? 42.223 37.518 13.930 1.00 22.80 ? 67 HIS B CE1 1 ATOM 2786 N NE2 . HIS B 2 67 ? 42.156 37.900 12.668 1.00 24.03 ? 67 HIS B NE2 1 ATOM 2787 N N . THR B 2 68 ? 39.682 33.154 14.621 1.00 22.88 ? 68 THR B N 1 ATOM 2788 C CA . THR B 2 68 ? 39.076 33.227 15.930 1.00 26.33 ? 68 THR B CA 1 ATOM 2789 C C . THR B 2 68 ? 39.906 32.460 16.938 1.00 27.57 ? 68 THR B C 1 ATOM 2790 O O . THR B 2 68 ? 40.611 31.516 16.587 1.00 25.24 ? 68 THR B O 1 ATOM 2791 C CB . THR B 2 68 ? 37.647 32.632 15.897 1.00 27.65 ? 68 THR B CB 1 ATOM 2792 O OG1 . THR B 2 68 ? 37.036 32.788 17.181 1.00 30.97 ? 68 THR B OG1 1 ATOM 2793 C CG2 . THR B 2 68 ? 37.692 31.146 15.537 1.00 27.85 ? 68 THR B CG2 1 ATOM 2794 N N . GLU B 2 69 ? 39.827 32.873 18.197 1.00 29.58 ? 69 GLU B N 1 ATOM 2795 C CA . GLU B 2 69 ? 40.566 32.189 19.248 1.00 31.94 ? 69 GLU B CA 1 ATOM 2796 C C . GLU B 2 69 ? 39.813 30.911 19.592 1.00 30.20 ? 69 GLU B C 1 ATOM 2797 O O . GLU B 2 69 ? 38.594 30.875 19.513 1.00 30.24 ? 69 GLU B O 1 ATOM 2798 C CB . GLU B 2 69 ? 40.667 33.076 20.491 1.00 34.11 ? 69 GLU B CB 1 ATOM 2799 C CG . GLU B 2 69 ? 41.430 34.373 20.268 1.00 40.01 ? 69 GLU B CG 1 ATOM 2800 C CD . GLU B 2 69 ? 41.582 35.193 21.540 1.00 43.07 ? 69 GLU B CD 1 ATOM 2801 O OE1 . GLU B 2 69 ? 42.277 36.228 21.492 1.00 47.15 ? 69 GLU B OE1 1 ATOM 2802 O OE2 . GLU B 2 69 ? 41.009 34.810 22.583 1.00 43.85 ? 69 GLU B OE2 1 ATOM 2803 N N . PHE B 2 70 ? 40.541 29.863 19.964 1.00 30.43 ? 70 PHE B N 1 ATOM 2804 C CA . PHE B 2 70 ? 39.908 28.604 20.327 1.00 29.79 ? 70 PHE B CA 1 ATOM 2805 C C . PHE B 2 70 ? 40.873 27.703 21.078 1.00 30.30 ? 70 PHE B C 1 ATOM 2806 O O . PHE B 2 70 ? 42.092 27.824 20.950 1.00 30.06 ? 70 PHE B O 1 ATOM 2807 C CB . PHE B 2 70 ? 39.375 27.875 19.079 1.00 28.23 ? 70 PHE B CB 1 ATOM 2808 C CG . PHE B 2 70 ? 40.414 27.059 18.344 1.00 29.75 ? 70 PHE B CG 1 ATOM 2809 C CD1 . PHE B 2 70 ? 41.567 27.654 17.837 1.00 26.54 ? 70 PHE B CD1 1 ATOM 2810 C CD2 . PHE B 2 70 ? 40.235 25.687 18.162 1.00 30.03 ? 70 PHE B CD2 1 ATOM 2811 C CE1 . PHE B 2 70 ? 42.527 26.893 17.159 1.00 25.63 ? 70 PHE B CE1 1 ATOM 2812 C CE2 . PHE B 2 70 ? 41.189 24.921 17.485 1.00 29.95 ? 70 PHE B CE2 1 ATOM 2813 C CZ . PHE B 2 70 ? 42.340 25.530 16.983 1.00 26.73 ? 70 PHE B CZ 1 ATOM 2814 N N . THR B 2 71 ? 40.310 26.811 21.880 1.00 30.86 ? 71 THR B N 1 ATOM 2815 C CA . THR B 2 71 ? 41.091 25.858 22.644 1.00 32.83 ? 71 THR B CA 1 ATOM 2816 C C . THR B 2 71 ? 40.635 24.487 22.176 1.00 33.63 ? 71 THR B C 1 ATOM 2817 O O . THR B 2 71 ? 39.555 24.023 22.535 1.00 34.98 ? 71 THR B O 1 ATOM 2818 C CB . THR B 2 71 ? 40.830 26.012 24.148 1.00 33.62 ? 71 THR B CB 1 ATOM 2819 O OG1 . THR B 2 71 ? 41.366 27.266 24.587 1.00 33.24 ? 71 THR B OG1 1 ATOM 2820 C CG2 . THR B 2 71 ? 41.478 24.875 24.927 1.00 33.37 ? 71 THR B CG2 1 ATOM 2821 N N . PRO B 2 72 ? 41.449 23.827 21.347 1.00 34.12 ? 72 PRO B N 1 ATOM 2822 C CA . PRO B 2 72 ? 41.087 22.504 20.842 1.00 34.79 ? 72 PRO B CA 1 ATOM 2823 C C . PRO B 2 72 ? 40.970 21.426 21.906 1.00 35.34 ? 72 PRO B C 1 ATOM 2824 O O . PRO B 2 72 ? 41.667 21.444 22.919 1.00 36.57 ? 72 PRO B O 1 ATOM 2825 C CB . PRO B 2 72 ? 42.196 22.206 19.837 1.00 34.14 ? 72 PRO B CB 1 ATOM 2826 C CG . PRO B 2 72 ? 43.370 22.921 20.415 1.00 33.08 ? 72 PRO B CG 1 ATOM 2827 C CD . PRO B 2 72 ? 42.775 24.235 20.851 1.00 34.52 ? 72 PRO B CD 1 ATOM 2828 N N . THR B 2 73 ? 40.057 20.497 21.669 1.00 35.57 ? 73 THR B N 1 ATOM 2829 C CA . THR B 2 73 ? 39.854 19.369 22.558 1.00 37.18 ? 73 THR B CA 1 ATOM 2830 C C . THR B 2 73 ? 39.929 18.169 21.627 1.00 39.03 ? 73 THR B C 1 ATOM 2831 O O . THR B 2 73 ? 40.047 18.332 20.413 1.00 39.03 ? 73 THR B O 1 ATOM 2832 C CB . THR B 2 73 ? 38.473 19.415 23.248 1.00 37.95 ? 73 THR B CB 1 ATOM 2833 O OG1 . THR B 2 73 ? 37.438 19.347 22.262 1.00 37.39 ? 73 THR B OG1 1 ATOM 2834 C CG2 . THR B 2 73 ? 38.324 20.706 24.054 1.00 35.82 ? 73 THR B CG2 1 ATOM 2835 N N . GLU B 2 74 ? 39.869 16.966 22.174 1.00 40.62 ? 74 GLU B N 1 ATOM 2836 C CA . GLU B 2 74 ? 39.955 15.790 21.326 1.00 41.89 ? 74 GLU B CA 1 ATOM 2837 C C . GLU B 2 74 ? 38.690 15.578 20.495 1.00 39.77 ? 74 GLU B C 1 ATOM 2838 O O . GLU B 2 74 ? 38.768 15.106 19.366 1.00 41.86 ? 74 GLU B O 1 ATOM 2839 C CB . GLU B 2 74 ? 40.241 14.546 22.176 1.00 43.82 ? 74 GLU B CB 1 ATOM 2840 C CG . GLU B 2 74 ? 40.639 13.315 21.371 1.00 48.53 ? 74 GLU B CG 1 ATOM 2841 C CD . GLU B 2 74 ? 41.966 13.485 20.642 1.00 52.11 ? 74 GLU B CD 1 ATOM 2842 O OE1 . GLU B 2 74 ? 42.348 12.566 19.885 1.00 53.22 ? 74 GLU B OE1 1 ATOM 2843 O OE2 . GLU B 2 74 ? 42.628 14.533 20.822 1.00 54.49 ? 74 GLU B OE2 1 ATOM 2844 N N . THR B 2 75 ? 37.535 15.959 21.032 1.00 39.02 ? 75 THR B N 1 ATOM 2845 C CA . THR B 2 75 ? 36.266 15.747 20.330 1.00 38.56 ? 75 THR B CA 1 ATOM 2846 C C . THR B 2 75 ? 35.722 16.874 19.443 1.00 37.35 ? 75 THR B C 1 ATOM 2847 O O . THR B 2 75 ? 34.979 16.603 18.499 1.00 36.35 ? 75 THR B O 1 ATOM 2848 C CB . THR B 2 75 ? 35.132 15.392 21.322 1.00 40.09 ? 75 THR B CB 1 ATOM 2849 O OG1 . THR B 2 75 ? 34.491 16.597 21.772 1.00 41.16 ? 75 THR B OG1 1 ATOM 2850 C CG2 . THR B 2 75 ? 35.688 14.641 22.524 1.00 40.88 ? 75 THR B CG2 1 ATOM 2851 N N . ASP B 2 76 ? 36.067 18.123 19.741 1.00 35.00 ? 76 ASP B N 1 ATOM 2852 C CA . ASP B 2 76 ? 35.553 19.248 18.959 1.00 33.97 ? 76 ASP B CA 1 ATOM 2853 C C . ASP B 2 76 ? 36.031 19.311 17.513 1.00 31.05 ? 76 ASP B C 1 ATOM 2854 O O . ASP B 2 76 ? 37.220 19.177 17.231 1.00 31.83 ? 76 ASP B O 1 ATOM 2855 C CB . ASP B 2 76 ? 35.878 20.578 19.652 1.00 34.52 ? 76 ASP B CB 1 ATOM 2856 C CG . ASP B 2 76 ? 35.199 20.712 21.000 1.00 37.66 ? 76 ASP B CG 1 ATOM 2857 O OD1 . ASP B 2 76 ? 34.010 20.340 21.098 1.00 37.94 ? 76 ASP B OD1 1 ATOM 2858 O OD2 . ASP B 2 76 ? 35.845 21.196 21.954 1.00 36.52 ? 76 ASP B OD2 1 ATOM 2859 N N . THR B 2 77 ? 35.093 19.521 16.597 1.00 28.45 ? 77 THR B N 1 ATOM 2860 C CA . THR B 2 77 ? 35.433 19.626 15.184 1.00 28.27 ? 77 THR B CA 1 ATOM 2861 C C . THR B 2 77 ? 35.112 21.039 14.710 1.00 26.75 ? 77 THR B C 1 ATOM 2862 O O . THR B 2 77 ? 34.133 21.645 15.144 1.00 25.29 ? 77 THR B O 1 ATOM 2863 C CB . THR B 2 77 ? 34.640 18.628 14.328 1.00 27.01 ? 77 THR B CB 1 ATOM 2864 O OG1 . THR B 2 77 ? 33.238 18.867 14.494 1.00 28.42 ? 77 THR B OG1 1 ATOM 2865 C CG2 . THR B 2 77 ? 34.962 17.199 14.747 1.00 30.67 ? 77 THR B CG2 1 ATOM 2866 N N . TYR B 2 78 ? 35.946 21.557 13.818 1.00 26.27 ? 78 TYR B N 1 ATOM 2867 C CA . TYR B 2 78 ? 35.756 22.896 13.293 1.00 26.14 ? 78 TYR B CA 1 ATOM 2868 C C . TYR B 2 78 ? 35.726 22.887 11.782 1.00 26.43 ? 78 TYR B C 1 ATOM 2869 O O . TYR B 2 78 ? 36.335 22.032 11.142 1.00 26.72 ? 78 TYR B O 1 ATOM 2870 C CB . TYR B 2 78 ? 36.878 23.815 13.761 1.00 23.96 ? 78 TYR B CB 1 ATOM 2871 C CG . TYR B 2 78 ? 36.882 24.054 15.247 1.00 23.66 ? 78 TYR B CG 1 ATOM 2872 C CD1 . TYR B 2 78 ? 37.519 23.166 16.115 1.00 22.67 ? 78 TYR B CD1 1 ATOM 2873 C CD2 . TYR B 2 78 ? 36.232 25.163 15.789 1.00 23.08 ? 78 TYR B CD2 1 ATOM 2874 C CE1 . TYR B 2 78 ? 37.508 23.375 17.491 1.00 25.04 ? 78 TYR B CE1 1 ATOM 2875 C CE2 . TYR B 2 78 ? 36.214 25.384 17.165 1.00 24.06 ? 78 TYR B CE2 1 ATOM 2876 C CZ . TYR B 2 78 ? 36.850 24.488 18.008 1.00 25.51 ? 78 TYR B CZ 1 ATOM 2877 O OH . TYR B 2 78 ? 36.813 24.694 19.366 1.00 26.90 ? 78 TYR B OH 1 ATOM 2878 N N . ALA B 2 79 ? 35.020 23.852 11.215 1.00 26.85 ? 79 ALA B N 1 ATOM 2879 C CA . ALA B 2 79 ? 34.918 23.948 9.772 1.00 28.77 ? 79 ALA B CA 1 ATOM 2880 C C . ALA B 2 79 ? 34.696 25.390 9.348 1.00 27.77 ? 79 ALA B C 1 ATOM 2881 O O . ALA B 2 79 ? 34.387 26.259 10.167 1.00 28.14 ? 79 ALA B O 1 ATOM 2882 C CB . ALA B 2 79 ? 33.770 23.074 9.276 1.00 28.30 ? 79 ALA B CB 1 ATOM 2883 N N . CYS B 2 80 ? 34.878 25.634 8.059 1.00 28.32 ? 80 CYS B N 1 ATOM 2884 C CA . CYS B 2 80 ? 34.672 26.952 7.483 1.00 27.47 ? 80 CYS B CA 1 ATOM 2885 C C . CYS B 2 80 ? 33.696 26.749 6.332 1.00 27.07 ? 80 CYS B C 1 ATOM 2886 O O . CYS B 2 80 ? 33.928 25.901 5.473 1.00 26.77 ? 80 CYS B O 1 ATOM 2887 C CB . CYS B 2 80 ? 35.981 27.505 6.931 1.00 27.13 ? 80 CYS B CB 1 ATOM 2888 S SG . CYS B 2 80 ? 35.839 29.233 6.378 1.00 29.32 ? 80 CYS B SG 1 ATOM 2889 N N . ARG B 2 81 ? 32.610 27.510 6.313 1.00 27.53 ? 81 ARG B N 1 ATOM 2890 C CA . ARG B 2 81 ? 31.622 27.374 5.249 1.00 30.42 ? 81 ARG B CA 1 ATOM 2891 C C . ARG B 2 81 ? 31.547 28.662 4.428 1.00 30.20 ? 81 ARG B C 1 ATOM 2892 O O . ARG B 2 81 ? 31.326 29.746 4.970 1.00 27.82 ? 81 ARG B O 1 ATOM 2893 C CB . ARG B 2 81 ? 30.260 27.041 5.854 1.00 32.61 ? 81 ARG B CB 1 ATOM 2894 C CG . ARG B 2 81 ? 29.198 26.651 4.850 1.00 37.34 ? 81 ARG B CG 1 ATOM 2895 C CD . ARG B 2 81 ? 27.888 26.350 5.565 1.00 43.33 ? 81 ARG B CD 1 ATOM 2896 N NE . ARG B 2 81 ? 27.415 27.515 6.309 1.00 50.68 ? 81 ARG B NE 1 ATOM 2897 C CZ . ARG B 2 81 ? 26.994 28.641 5.740 1.00 53.20 ? 81 ARG B CZ 1 ATOM 2898 N NH1 . ARG B 2 81 ? 26.984 28.748 4.418 1.00 54.85 ? 81 ARG B NH1 1 ATOM 2899 N NH2 . ARG B 2 81 ? 26.592 29.663 6.488 1.00 54.72 ? 81 ARG B NH2 1 ATOM 2900 N N . VAL B 2 82 ? 31.720 28.530 3.118 1.00 29.75 ? 82 VAL B N 1 ATOM 2901 C CA . VAL B 2 82 ? 31.716 29.677 2.222 1.00 30.97 ? 82 VAL B CA 1 ATOM 2902 C C . VAL B 2 82 ? 30.648 29.628 1.133 1.00 34.10 ? 82 VAL B C 1 ATOM 2903 O O . VAL B 2 82 ? 30.440 28.589 0.503 1.00 35.53 ? 82 VAL B O 1 ATOM 2904 C CB . VAL B 2 82 ? 33.094 29.818 1.523 1.00 30.16 ? 82 VAL B CB 1 ATOM 2905 C CG1 . VAL B 2 82 ? 33.089 31.009 0.572 1.00 27.89 ? 82 VAL B CG1 1 ATOM 2906 C CG2 . VAL B 2 82 ? 34.193 29.962 2.562 1.00 28.28 ? 82 VAL B CG2 1 ATOM 2907 N N . LYS B 2 83 ? 29.977 30.761 0.928 1.00 35.45 ? 83 LYS B N 1 ATOM 2908 C CA . LYS B 2 83 ? 28.965 30.898 -0.115 1.00 36.70 ? 83 LYS B CA 1 ATOM 2909 C C . LYS B 2 83 ? 29.498 31.938 -1.095 1.00 35.50 ? 83 LYS B C 1 ATOM 2910 O O . LYS B 2 83 ? 29.839 33.054 -0.698 1.00 35.31 ? 83 LYS B O 1 ATOM 2911 C CB . LYS B 2 83 ? 27.633 31.408 0.443 1.00 40.16 ? 83 LYS B CB 1 ATOM 2912 C CG . LYS B 2 83 ? 26.995 30.550 1.515 1.00 45.97 ? 83 LYS B CG 1 ATOM 2913 C CD . LYS B 2 83 ? 25.574 31.027 1.781 1.00 49.67 ? 83 LYS B CD 1 ATOM 2914 C CE . LYS B 2 83 ? 25.015 30.456 3.071 1.00 52.61 ? 83 LYS B CE 1 ATOM 2915 N NZ . LYS B 2 83 ? 25.762 30.978 4.252 1.00 55.37 ? 83 LYS B NZ 1 ATOM 2916 N N . HIS B 2 84 ? 29.570 31.573 -2.368 1.00 34.26 ? 84 HIS B N 1 ATOM 2917 C CA . HIS B 2 84 ? 30.059 32.481 -3.395 1.00 35.12 ? 84 HIS B CA 1 ATOM 2918 C C . HIS B 2 84 ? 29.342 32.177 -4.710 1.00 37.39 ? 84 HIS B C 1 ATOM 2919 O O . HIS B 2 84 ? 29.025 31.021 -4.995 1.00 36.90 ? 84 HIS B O 1 ATOM 2920 C CB . HIS B 2 84 ? 31.579 32.319 -3.550 1.00 32.67 ? 84 HIS B CB 1 ATOM 2921 C CG . HIS B 2 84 ? 32.205 33.296 -4.497 1.00 31.85 ? 84 HIS B CG 1 ATOM 2922 N ND1 . HIS B 2 84 ? 32.600 32.949 -5.774 1.00 31.61 ? 84 HIS B ND1 1 ATOM 2923 C CD2 . HIS B 2 84 ? 32.498 34.611 -4.358 1.00 29.85 ? 84 HIS B CD2 1 ATOM 2924 C CE1 . HIS B 2 84 ? 33.109 34.008 -6.378 1.00 30.68 ? 84 HIS B CE1 1 ATOM 2925 N NE2 . HIS B 2 84 ? 33.058 35.030 -5.541 1.00 29.98 ? 84 HIS B NE2 1 ATOM 2926 N N . ASP B 2 85 ? 29.089 33.219 -5.498 1.00 39.16 ? 85 ASP B N 1 ATOM 2927 C CA . ASP B 2 85 ? 28.404 33.097 -6.788 1.00 42.38 ? 85 ASP B CA 1 ATOM 2928 C C . ASP B 2 85 ? 28.967 32.028 -7.721 1.00 43.24 ? 85 ASP B C 1 ATOM 2929 O O . ASP B 2 85 ? 28.246 31.501 -8.567 1.00 44.55 ? 85 ASP B O 1 ATOM 2930 C CB . ASP B 2 85 ? 28.416 34.444 -7.520 1.00 45.90 ? 85 ASP B CB 1 ATOM 2931 C CG . ASP B 2 85 ? 27.374 35.411 -6.989 1.00 49.70 ? 85 ASP B CG 1 ATOM 2932 O OD1 . ASP B 2 85 ? 27.483 36.623 -7.281 1.00 53.44 ? 85 ASP B OD1 1 ATOM 2933 O OD2 . ASP B 2 85 ? 26.441 34.964 -6.289 1.00 51.71 ? 85 ASP B OD2 1 ATOM 2934 N N . SER B 2 86 ? 30.247 31.711 -7.579 1.00 43.24 ? 86 SER B N 1 ATOM 2935 C CA . SER B 2 86 ? 30.866 30.708 -8.438 1.00 43.94 ? 86 SER B CA 1 ATOM 2936 C C . SER B 2 86 ? 30.494 29.292 -8.014 1.00 45.51 ? 86 SER B C 1 ATOM 2937 O O . SER B 2 86 ? 30.872 28.321 -8.669 1.00 44.78 ? 86 SER B O 1 ATOM 2938 C CB . SER B 2 86 ? 32.386 30.856 -8.411 1.00 43.41 ? 86 SER B CB 1 ATOM 2939 O OG . SER B 2 86 ? 32.895 30.553 -7.125 1.00 42.51 ? 86 SER B OG 1 ATOM 2940 N N . MET B 2 87 ? 29.756 29.174 -6.916 1.00 47.07 ? 87 MET B N 1 ATOM 2941 C CA . MET B 2 87 ? 29.363 27.862 -6.420 1.00 48.27 ? 87 MET B CA 1 ATOM 2942 C C . MET B 2 87 ? 27.853 27.737 -6.265 1.00 48.31 ? 87 MET B C 1 ATOM 2943 O O . MET B 2 87 ? 27.190 28.644 -5.761 1.00 47.81 ? 87 MET B O 1 ATOM 2944 C CB . MET B 2 87 ? 30.044 27.585 -5.079 1.00 48.62 ? 87 MET B CB 1 ATOM 2945 C CG . MET B 2 87 ? 31.561 27.702 -5.120 1.00 50.17 ? 87 MET B CG 1 ATOM 2946 S SD . MET B 2 87 ? 32.320 27.401 -3.511 1.00 51.43 ? 87 MET B SD 1 ATOM 2947 C CE . MET B 2 87 ? 31.612 28.743 -2.559 1.00 47.48 ? 87 MET B CE 1 ATOM 2948 N N . ALA B 2 88 ? 27.320 26.600 -6.701 1.00 49.02 ? 88 ALA B N 1 ATOM 2949 C CA . ALA B 2 88 ? 25.891 26.338 -6.616 1.00 49.50 ? 88 ALA B CA 1 ATOM 2950 C C . ALA B 2 88 ? 25.474 26.170 -5.161 1.00 49.87 ? 88 ALA B C 1 ATOM 2951 O O . ALA B 2 88 ? 24.452 26.711 -4.725 1.00 50.31 ? 88 ALA B O 1 ATOM 2952 C CB . ALA B 2 88 ? 25.544 25.084 -7.409 1.00 49.63 ? 88 ALA B CB 1 ATOM 2953 N N . GLU B 2 89 ? 26.272 25.420 -4.410 1.00 48.63 ? 89 GLU B N 1 ATOM 2954 C CA . GLU B 2 89 ? 25.977 25.179 -3.005 1.00 49.44 ? 89 GLU B CA 1 ATOM 2955 C C . GLU B 2 89 ? 27.108 25.669 -2.114 1.00 47.22 ? 89 GLU B C 1 ATOM 2956 O O . GLU B 2 89 ? 28.274 25.650 -2.507 1.00 46.83 ? 89 GLU B O 1 ATOM 2957 C CB . GLU B 2 89 ? 25.768 23.684 -2.749 1.00 51.63 ? 89 GLU B CB 1 ATOM 2958 C CG . GLU B 2 89 ? 24.774 23.006 -3.672 1.00 55.11 ? 89 GLU B CG 1 ATOM 2959 C CD . GLU B 2 89 ? 24.674 21.514 -3.406 1.00 57.53 ? 89 GLU B CD 1 ATOM 2960 O OE1 . GLU B 2 89 ? 24.163 21.127 -2.332 1.00 58.29 ? 89 GLU B OE1 1 ATOM 2961 O OE2 . GLU B 2 89 ? 25.116 20.727 -4.270 1.00 59.37 ? 89 GLU B OE2 1 ATOM 2962 N N . PRO B 2 90 ? 26.773 26.115 -0.897 1.00 45.52 ? 90 PRO B N 1 ATOM 2963 C CA . PRO B 2 90 ? 27.781 26.601 0.046 1.00 45.72 ? 90 PRO B CA 1 ATOM 2964 C C . PRO B 2 90 ? 28.838 25.522 0.236 1.00 45.51 ? 90 PRO B C 1 ATOM 2965 O O . PRO B 2 90 ? 28.508 24.337 0.316 1.00 45.61 ? 90 PRO B O 1 ATOM 2966 C CB . PRO B 2 90 ? 26.973 26.836 1.315 1.00 45.37 ? 90 PRO B CB 1 ATOM 2967 C CG . PRO B 2 90 ? 25.639 27.237 0.782 1.00 45.46 ? 90 PRO B CG 1 ATOM 2968 C CD . PRO B 2 90 ? 25.420 26.253 -0.335 1.00 44.85 ? 90 PRO B CD 1 ATOM 2969 N N . LYS B 2 91 ? 30.104 25.918 0.299 1.00 43.88 ? 91 LYS B N 1 ATOM 2970 C CA . LYS B 2 91 ? 31.163 24.941 0.483 1.00 43.04 ? 91 LYS B CA 1 ATOM 2971 C C . LYS B 2 91 ? 31.679 24.959 1.918 1.00 42.76 ? 91 LYS B C 1 ATOM 2972 O O . LYS B 2 91 ? 31.971 26.018 2.475 1.00 40.49 ? 91 LYS B O 1 ATOM 2973 C CB . LYS B 2 91 ? 32.317 25.209 -0.480 1.00 43.97 ? 91 LYS B CB 1 ATOM 2974 C CG . LYS B 2 91 ? 33.266 24.033 -0.604 1.00 45.08 ? 91 LYS B CG 1 ATOM 2975 C CD . LYS B 2 91 ? 34.439 24.343 -1.512 1.00 47.73 ? 91 LYS B CD 1 ATOM 2976 C CE . LYS B 2 91 ? 35.115 23.058 -1.958 1.00 49.66 ? 91 LYS B CE 1 ATOM 2977 N NZ . LYS B 2 91 ? 35.282 22.117 -0.816 1.00 51.39 ? 91 LYS B NZ 1 ATOM 2978 N N . THR B 2 92 ? 31.784 23.777 2.513 1.00 41.47 ? 92 THR B N 1 ATOM 2979 C CA . THR B 2 92 ? 32.268 23.653 3.880 1.00 40.52 ? 92 THR B CA 1 ATOM 2980 C C . THR B 2 92 ? 33.560 22.850 3.905 1.00 39.61 ? 92 THR B C 1 ATOM 2981 O O . THR B 2 92 ? 33.607 21.725 3.412 1.00 40.80 ? 92 THR B O 1 ATOM 2982 C CB . THR B 2 92 ? 31.233 22.947 4.773 1.00 40.89 ? 92 THR B CB 1 ATOM 2983 O OG1 . THR B 2 92 ? 30.034 23.728 4.827 1.00 41.35 ? 92 THR B OG1 1 ATOM 2984 C CG2 . THR B 2 92 ? 31.775 22.769 6.184 1.00 42.94 ? 92 THR B CG2 1 ATOM 2985 N N . VAL B 2 93 ? 34.611 23.437 4.465 1.00 37.38 ? 93 VAL B N 1 ATOM 2986 C CA . VAL B 2 93 ? 35.900 22.765 4.572 1.00 35.30 ? 93 VAL B CA 1 ATOM 2987 C C . VAL B 2 93 ? 36.173 22.498 6.045 1.00 35.00 ? 93 VAL B C 1 ATOM 2988 O O . VAL B 2 93 ? 36.088 23.407 6.870 1.00 35.56 ? 93 VAL B O 1 ATOM 2989 C CB . VAL B 2 93 ? 37.043 23.639 3.999 1.00 36.22 ? 93 VAL B CB 1 ATOM 2990 C CG1 . VAL B 2 93 ? 38.390 22.970 4.249 1.00 34.03 ? 93 VAL B CG1 1 ATOM 2991 C CG2 . VAL B 2 93 ? 36.835 23.853 2.509 1.00 36.43 ? 93 VAL B CG2 1 ATOM 2992 N N . TYR B 2 94 ? 36.499 21.251 6.375 1.00 34.61 ? 94 TYR B N 1 ATOM 2993 C CA . TYR B 2 94 ? 36.770 20.881 7.756 1.00 32.81 ? 94 TYR B CA 1 ATOM 2994 C C . TYR B 2 94 ? 38.236 20.966 8.117 1.00 32.14 ? 94 TYR B C 1 ATOM 2995 O O . TYR B 2 94 ? 39.113 20.691 7.299 1.00 32.86 ? 94 TYR B O 1 ATOM 2996 C CB . TYR B 2 94 ? 36.239 19.470 8.054 1.00 33.79 ? 94 TYR B CB 1 ATOM 2997 C CG . TYR B 2 94 ? 34.735 19.429 8.131 1.00 33.20 ? 94 TYR B CG 1 ATOM 2998 C CD1 . TYR B 2 94 ? 33.967 19.164 7.000 1.00 33.97 ? 94 TYR B CD1 1 ATOM 2999 C CD2 . TYR B 2 94 ? 34.074 19.768 9.313 1.00 35.09 ? 94 TYR B CD2 1 ATOM 3000 C CE1 . TYR B 2 94 ? 32.574 19.245 7.039 1.00 35.55 ? 94 TYR B CE1 1 ATOM 3001 C CE2 . TYR B 2 94 ? 32.684 19.857 9.364 1.00 36.01 ? 94 TYR B CE2 1 ATOM 3002 C CZ . TYR B 2 94 ? 31.942 19.597 8.223 1.00 36.90 ? 94 TYR B CZ 1 ATOM 3003 O OH . TYR B 2 94 ? 30.570 19.710 8.261 1.00 40.45 ? 94 TYR B OH 1 ATOM 3004 N N . TRP B 2 95 ? 38.490 21.362 9.357 1.00 30.52 ? 95 TRP B N 1 ATOM 3005 C CA . TRP B 2 95 ? 39.844 21.484 9.863 1.00 29.51 ? 95 TRP B CA 1 ATOM 3006 C C . TRP B 2 95 ? 40.453 20.101 10.071 1.00 31.03 ? 95 TRP B C 1 ATOM 3007 O O . TRP B 2 95 ? 39.897 19.266 10.783 1.00 31.07 ? 95 TRP B O 1 ATOM 3008 C CB . TRP B 2 95 ? 39.830 22.250 11.185 1.00 27.27 ? 95 TRP B CB 1 ATOM 3009 C CG . TRP B 2 95 ? 41.158 22.325 11.875 1.00 25.71 ? 95 TRP B CG 1 ATOM 3010 C CD1 . TRP B 2 95 ? 42.353 22.671 11.322 1.00 25.11 ? 95 TRP B CD1 1 ATOM 3011 C CD2 . TRP B 2 95 ? 41.410 22.097 13.268 1.00 25.91 ? 95 TRP B CD2 1 ATOM 3012 N NE1 . TRP B 2 95 ? 43.339 22.675 12.283 1.00 21.97 ? 95 TRP B NE1 1 ATOM 3013 C CE2 . TRP B 2 95 ? 42.786 22.328 13.487 1.00 23.97 ? 95 TRP B CE2 1 ATOM 3014 C CE3 . TRP B 2 95 ? 40.605 21.722 14.352 1.00 26.71 ? 95 TRP B CE3 1 ATOM 3015 C CZ2 . TRP B 2 95 ? 43.378 22.195 14.748 1.00 24.19 ? 95 TRP B CZ2 1 ATOM 3016 C CZ3 . TRP B 2 95 ? 41.194 21.590 15.608 1.00 26.25 ? 95 TRP B CZ3 1 ATOM 3017 C CH2 . TRP B 2 95 ? 42.568 21.827 15.792 1.00 26.13 ? 95 TRP B CH2 1 ATOM 3018 N N . ASP B 2 96 ? 41.597 19.872 9.439 1.00 31.94 ? 96 ASP B N 1 ATOM 3019 C CA . ASP B 2 96 ? 42.303 18.605 9.551 1.00 32.65 ? 96 ASP B CA 1 ATOM 3020 C C . ASP B 2 96 ? 43.566 18.845 10.366 1.00 34.01 ? 96 ASP B C 1 ATOM 3021 O O . ASP B 2 96 ? 44.589 19.278 9.836 1.00 34.31 ? 96 ASP B O 1 ATOM 3022 C CB . ASP B 2 96 ? 42.644 18.082 8.155 1.00 31.99 ? 96 ASP B CB 1 ATOM 3023 C CG . ASP B 2 96 ? 43.519 16.848 8.191 1.00 32.41 ? 96 ASP B CG 1 ATOM 3024 O OD1 . ASP B 2 96 ? 43.673 16.255 9.279 1.00 31.43 ? 96 ASP B OD1 1 ATOM 3025 O OD2 . ASP B 2 96 ? 44.049 16.473 7.124 1.00 33.78 ? 96 ASP B OD2 1 ATOM 3026 N N . ARG B 2 97 ? 43.483 18.560 11.662 1.00 36.15 ? 97 ARG B N 1 ATOM 3027 C CA . ARG B 2 97 ? 44.599 18.775 12.572 1.00 37.21 ? 97 ARG B CA 1 ATOM 3028 C C . ARG B 2 97 ? 45.807 17.858 12.388 1.00 37.51 ? 97 ARG B C 1 ATOM 3029 O O . ARG B 2 97 ? 46.826 18.052 13.048 1.00 37.08 ? 97 ARG B O 1 ATOM 3030 C CB . ARG B 2 97 ? 44.119 18.672 14.023 1.00 39.89 ? 97 ARG B CB 1 ATOM 3031 C CG . ARG B 2 97 ? 43.704 17.270 14.443 1.00 43.68 ? 97 ARG B CG 1 ATOM 3032 C CD . ARG B 2 97 ? 43.912 17.069 15.938 1.00 46.03 ? 97 ARG B CD 1 ATOM 3033 N NE . ARG B 2 97 ? 42.916 17.756 16.754 1.00 47.39 ? 97 ARG B NE 1 ATOM 3034 C CZ . ARG B 2 97 ? 43.080 18.035 18.043 1.00 47.97 ? 97 ARG B CZ 1 ATOM 3035 N NH1 . ARG B 2 97 ? 44.205 17.692 18.660 1.00 47.51 ? 97 ARG B NH1 1 ATOM 3036 N NH2 . ARG B 2 97 ? 42.119 18.647 18.718 1.00 48.48 ? 97 ARG B NH2 1 ATOM 3037 N N . ASP B 2 98 ? 45.707 16.867 11.507 1.00 37.20 ? 98 ASP B N 1 ATOM 3038 C CA . ASP B 2 98 ? 46.831 15.956 11.286 1.00 38.75 ? 98 ASP B CA 1 ATOM 3039 C C . ASP B 2 98 ? 47.612 16.266 10.012 1.00 39.76 ? 98 ASP B C 1 ATOM 3040 O O . ASP B 2 98 ? 48.597 15.595 9.703 1.00 40.05 ? 98 ASP B O 1 ATOM 3041 C CB . ASP B 2 98 ? 46.350 14.502 11.223 1.00 39.36 ? 98 ASP B CB 1 ATOM 3042 C CG . ASP B 2 98 ? 45.782 14.014 12.543 1.00 40.86 ? 98 ASP B CG 1 ATOM 3043 O OD1 . ASP B 2 98 ? 46.431 14.226 13.590 1.00 40.70 ? 98 ASP B OD1 1 ATOM 3044 O OD2 . ASP B 2 98 ? 44.689 13.408 12.533 1.00 42.48 ? 98 ASP B OD2 1 ATOM 3045 N N . MET B 2 99 ? 47.173 17.281 9.275 1.00 38.96 ? 99 MET B N 1 ATOM 3046 C CA . MET B 2 99 ? 47.829 17.653 8.027 1.00 38.73 ? 99 MET B CA 1 ATOM 3047 C C . MET B 2 99 ? 49.332 17.896 8.204 1.00 37.73 ? 99 MET B C 1 ATOM 3048 O O . MET B 2 99 ? 50.098 17.529 7.289 1.00 36.02 ? 99 MET B O 1 ATOM 3049 C CB . MET B 2 99 ? 47.160 18.897 7.441 1.00 41.85 ? 99 MET B CB 1 ATOM 3050 C CG . MET B 2 99 ? 47.304 19.016 5.938 1.00 45.91 ? 99 MET B CG 1 ATOM 3051 S SD . MET B 2 99 ? 46.457 20.459 5.278 1.00 51.42 ? 99 MET B SD 1 ATOM 3052 C CE . MET B 2 99 ? 44.754 20.057 5.636 1.00 49.87 ? 99 MET B CE 1 ATOM 3053 O OXT . MET B 2 99 ? 49.727 18.457 9.247 1.00 36.42 ? 99 MET B OXT 1 ATOM 3054 N N . SER C 3 1 ? 49.342 57.774 4.512 1.00 26.84 ? 1 SER P N 1 ATOM 3055 C CA . SER C 3 1 ? 47.934 58.166 4.236 1.00 29.82 ? 1 SER P CA 1 ATOM 3056 C C . SER C 3 1 ? 47.605 58.057 2.753 1.00 30.08 ? 1 SER P C 1 ATOM 3057 O O . SER C 3 1 ? 48.455 58.295 1.888 1.00 27.11 ? 1 SER P O 1 ATOM 3058 C CB . SER C 3 1 ? 47.670 59.595 4.723 1.00 31.91 ? 1 SER P CB 1 ATOM 3059 O OG . SER C 3 1 ? 48.595 60.499 4.159 1.00 36.50 ? 1 SER P OG 1 ATOM 3060 N N . GLU C 3 2 ? 46.356 57.694 2.486 1.00 30.90 ? 2 GLU P N 1 ATOM 3061 C CA . GLU C 3 2 ? 45.829 57.508 1.138 1.00 33.87 ? 2 GLU P CA 1 ATOM 3062 C C . GLU C 3 2 ? 45.811 58.798 0.312 1.00 33.23 ? 2 GLU P C 1 ATOM 3063 O O . GLU C 3 2 ? 45.767 59.898 0.864 1.00 33.18 ? 2 GLU P O 1 ATOM 3064 C CB . GLU C 3 2 ? 44.406 56.946 1.247 1.00 36.80 ? 2 GLU P CB 1 ATOM 3065 C CG . GLU C 3 2 ? 43.705 56.738 -0.075 1.00 42.28 ? 2 GLU P CG 1 ATOM 3066 C CD . GLU C 3 2 ? 44.147 55.473 -0.764 1.00 45.02 ? 2 GLU P CD 1 ATOM 3067 O OE1 . GLU C 3 2 ? 43.576 54.401 -0.460 1.00 46.35 ? 2 GLU P OE1 1 ATOM 3068 O OE2 . GLU C 3 2 ? 45.072 55.552 -1.600 1.00 47.93 ? 2 GLU P OE2 1 ATOM 3069 N N . ILE C 3 3 ? 45.851 58.663 -1.012 1.00 34.09 ? 3 ILE P N 1 ATOM 3070 C CA . ILE C 3 3 ? 45.798 59.835 -1.887 1.00 33.80 ? 3 ILE P CA 1 ATOM 3071 C C . ILE C 3 3 ? 44.338 60.061 -2.250 1.00 33.29 ? 3 ILE P C 1 ATOM 3072 O O . ILE C 3 3 ? 43.512 59.167 -2.079 1.00 33.82 ? 3 ILE P O 1 ATOM 3073 C CB . ILE C 3 3 ? 46.578 59.618 -3.204 1.00 34.40 ? 3 ILE P CB 1 ATOM 3074 C CG1 . ILE C 3 3 ? 46.629 60.927 -4.002 1.00 34.56 ? 3 ILE P CG1 1 ATOM 3075 C CG2 . ILE C 3 3 ? 45.895 58.540 -4.050 1.00 33.32 ? 3 ILE P CG2 1 ATOM 3076 C CD1 . ILE C 3 3 ? 47.405 60.834 -5.304 1.00 35.67 ? 3 ILE P CD1 1 ATOM 3077 N N . GLU C 3 4 ? 44.013 61.258 -2.724 1.00 35.54 ? 4 GLU P N 1 ATOM 3078 C CA . GLU C 3 4 ? 42.651 61.552 -3.155 1.00 35.86 ? 4 GLU P CA 1 ATOM 3079 C C . GLU C 3 4 ? 42.646 61.112 -4.619 1.00 34.51 ? 4 GLU P C 1 ATOM 3080 O O . GLU C 3 4 ? 43.447 61.600 -5.416 1.00 33.38 ? 4 GLU P O 1 ATOM 3081 C CB . GLU C 3 4 ? 42.355 63.056 -3.040 1.00 39.32 ? 4 GLU P CB 1 ATOM 3082 C CG . GLU C 3 4 ? 40.961 63.465 -3.522 1.00 44.41 ? 4 GLU P CG 1 ATOM 3083 C CD . GLU C 3 4 ? 40.670 64.958 -3.347 1.00 48.44 ? 4 GLU P CD 1 ATOM 3084 O OE1 . GLU C 3 4 ? 41.437 65.790 -3.880 1.00 51.08 ? 4 GLU P OE1 1 ATOM 3085 O OE2 . GLU C 3 4 ? 39.670 65.301 -2.677 1.00 50.04 ? 4 GLU P OE2 1 ATOM 3086 N N . PHE C 3 5 ? 41.766 60.175 -4.963 1.00 32.90 ? 5 PHE P N 1 ATOM 3087 C CA . PHE C 3 5 ? 41.690 59.662 -6.330 1.00 32.39 ? 5 PHE P CA 1 ATOM 3088 C C . PHE C 3 5 ? 40.943 60.567 -7.304 1.00 32.36 ? 5 PHE P C 1 ATOM 3089 O O . PHE C 3 5 ? 39.992 61.255 -6.929 1.00 34.18 ? 5 PHE P O 1 ATOM 3090 C CB . PHE C 3 5 ? 41.037 58.272 -6.346 1.00 31.14 ? 5 PHE P CB 1 ATOM 3091 C CG . PHE C 3 5 ? 41.772 57.247 -5.537 1.00 29.77 ? 5 PHE P CG 1 ATOM 3092 C CD1 . PHE C 3 5 ? 41.404 56.982 -4.223 1.00 31.12 ? 5 PHE P CD1 1 ATOM 3093 C CD2 . PHE C 3 5 ? 42.843 56.550 -6.086 1.00 29.78 ? 5 PHE P CD2 1 ATOM 3094 C CE1 . PHE C 3 5 ? 42.092 56.036 -3.464 1.00 31.73 ? 5 PHE P CE1 1 ATOM 3095 C CE2 . PHE C 3 5 ? 43.541 55.600 -5.338 1.00 30.64 ? 5 PHE P CE2 1 ATOM 3096 C CZ . PHE C 3 5 ? 43.166 55.341 -4.024 1.00 30.38 ? 5 PHE P CZ 1 ATOM 3097 N N . ALA C 3 6 ? 41.386 60.554 -8.560 1.00 30.64 ? 6 ALA P N 1 ATOM 3098 C CA . ALA C 3 6 ? 40.764 61.347 -9.621 1.00 29.99 ? 6 ALA P CA 1 ATOM 3099 C C . ALA C 3 6 ? 39.702 60.493 -10.325 1.00 30.62 ? 6 ALA P C 1 ATOM 3100 O O . ALA C 3 6 ? 39.727 59.265 -10.229 1.00 30.95 ? 6 ALA P O 1 ATOM 3101 C CB . ALA C 3 6 ? 41.823 61.801 -10.618 1.00 27.87 ? 6 ALA P CB 1 ATOM 3102 N N . ARG C 3 7 ? 38.787 61.140 -11.046 1.00 30.25 ? 7 ARG P N 1 ATOM 3103 C CA . ARG C 3 7 ? 37.703 60.439 -11.744 1.00 29.96 ? 7 ARG P CA 1 ATOM 3104 C C . ARG C 3 7 ? 38.117 59.707 -13.014 1.00 28.56 ? 7 ARG P C 1 ATOM 3105 O O . ARG C 3 7 ? 38.972 60.176 -13.758 1.00 27.47 ? 7 ARG P O 1 ATOM 3106 C CB . ARG C 3 7 ? 36.584 61.424 -12.100 1.00 30.03 ? 7 ARG P CB 1 ATOM 3107 C CG . ARG C 3 7 ? 35.907 62.068 -10.906 1.00 33.13 ? 7 ARG P CG 1 ATOM 3108 C CD . ARG C 3 7 ? 35.058 61.073 -10.124 1.00 36.31 ? 7 ARG P CD 1 ATOM 3109 N NE . ARG C 3 7 ? 35.862 60.022 -9.505 1.00 40.06 ? 7 ARG P NE 1 ATOM 3110 C CZ . ARG C 3 7 ? 36.762 60.232 -8.548 1.00 41.58 ? 7 ARG P CZ 1 ATOM 3111 N NH1 . ARG C 3 7 ? 37.450 59.213 -8.045 1.00 42.24 ? 7 ARG P NH1 1 ATOM 3112 N NH2 . ARG C 3 7 ? 36.971 61.459 -8.086 1.00 43.03 ? 7 ARG P NH2 1 ATOM 3113 N N . LEU C 3 8 ? 37.486 58.564 -13.268 1.00 26.96 ? 8 LEU P N 1 ATOM 3114 C CA . LEU C 3 8 ? 37.783 57.795 -14.469 1.00 28.07 ? 8 LEU P CA 1 ATOM 3115 C C . LEU C 3 8 ? 37.032 58.406 -15.660 1.00 28.52 ? 8 LEU P C 1 ATOM 3116 O O . LEU C 3 8 ? 36.092 59.199 -15.419 1.00 26.93 ? 8 LEU P O 1 ATOM 3117 C CB . LEU C 3 8 ? 37.358 56.335 -14.285 1.00 27.93 ? 8 LEU P CB 1 ATOM 3118 C CG . LEU C 3 8 ? 37.965 55.591 -13.089 1.00 27.57 ? 8 LEU P CG 1 ATOM 3119 C CD1 . LEU C 3 8 ? 37.458 54.152 -13.071 1.00 29.42 ? 8 LEU P CD1 1 ATOM 3120 C CD2 . LEU C 3 8 ? 39.480 55.618 -13.176 1.00 28.09 ? 8 LEU P CD2 1 ATOM 3121 O OXT . LEU C 3 8 ? 37.386 58.084 -16.816 1.00 28.20 ? 8 LEU P OXT 1 HETATM 3122 C C1 . NAG D 4 . ? 24.648 49.611 -26.427 1.00 62.08 ? 801 NAG A C1 1 HETATM 3123 C C2 . NAG D 4 . ? 24.991 48.923 -27.751 1.00 64.70 ? 801 NAG A C2 1 HETATM 3124 C C3 . NAG D 4 . ? 23.788 49.025 -28.674 1.00 66.04 ? 801 NAG A C3 1 HETATM 3125 C C4 . NAG D 4 . ? 22.638 48.192 -28.104 1.00 66.99 ? 801 NAG A C4 1 HETATM 3126 C C5 . NAG D 4 . ? 22.649 48.163 -26.560 1.00 67.42 ? 801 NAG A C5 1 HETATM 3127 C C6 . NAG D 4 . ? 23.274 46.926 -25.927 1.00 69.01 ? 801 NAG A C6 1 HETATM 3128 C C7 . NAG D 4 . ? 26.213 50.854 -28.540 1.00 67.17 ? 801 NAG A C7 1 HETATM 3129 C C8 . NAG D 4 . ? 27.582 51.458 -28.802 1.00 67.36 ? 801 NAG A C8 1 HETATM 3130 N N2 . NAG D 4 . ? 26.155 49.536 -28.367 1.00 66.24 ? 801 NAG A N2 1 HETATM 3131 O O3 . NAG D 4 . ? 24.131 48.556 -29.969 1.00 66.92 ? 801 NAG A O3 1 HETATM 3132 O O4 . NAG D 4 . ? 21.398 48.717 -28.557 1.00 66.81 ? 801 NAG A O4 1 HETATM 3133 O O5 . NAG D 4 . ? 23.288 49.349 -25.990 1.00 65.23 ? 801 NAG A O5 1 HETATM 3134 O O6 . NAG D 4 . ? 24.498 46.573 -26.555 1.00 70.76 ? 801 NAG A O6 1 HETATM 3135 O O7 . NAG D 4 . ? 25.221 51.581 -28.492 1.00 68.72 ? 801 NAG A O7 1 HETATM 3136 C C1 . NAG E 4 . ? 62.026 51.076 18.446 1.00 51.45 ? 802 NAG A C1 1 HETATM 3137 C C2 . NAG E 4 . ? 63.261 50.308 18.954 1.00 54.27 ? 802 NAG A C2 1 HETATM 3138 C C3 . NAG E 4 . ? 63.530 50.675 20.422 1.00 56.56 ? 802 NAG A C3 1 HETATM 3139 C C4 . NAG E 4 . ? 63.660 52.198 20.559 1.00 57.07 ? 802 NAG A C4 1 HETATM 3140 C C5 . NAG E 4 . ? 62.412 52.880 19.981 1.00 57.32 ? 802 NAG A C5 1 HETATM 3141 C C6 . NAG E 4 . ? 62.494 54.399 20.016 1.00 59.09 ? 802 NAG A C6 1 HETATM 3142 C C7 . NAG E 4 . ? 62.167 48.233 19.543 1.00 57.27 ? 802 NAG A C7 1 HETATM 3143 C C8 . NAG E 4 . ? 62.123 46.716 19.425 1.00 57.17 ? 802 NAG A C8 1 HETATM 3144 N N2 . NAG E 4 . ? 63.071 48.875 18.809 1.00 55.41 ? 802 NAG A N2 1 HETATM 3145 O O3 . NAG E 4 . ? 64.725 50.048 20.871 1.00 57.35 ? 802 NAG A O3 1 HETATM 3146 O O4 . NAG E 4 . ? 63.810 52.548 21.927 1.00 57.47 ? 802 NAG A O4 1 HETATM 3147 O O5 . NAG E 4 . ? 62.225 52.490 18.600 1.00 54.53 ? 802 NAG A O5 1 HETATM 3148 O O6 . NAG E 4 . ? 61.551 54.965 19.081 1.00 61.25 ? 802 NAG A O6 1 HETATM 3149 O O7 . NAG E 4 . ? 61.383 48.812 20.297 1.00 60.28 ? 802 NAG A O7 1 HETATM 3150 C C1 . FUL F 5 . ? 60.277 55.096 19.646 1.00 62.32 ? 901 FUL A C1 1 HETATM 3151 C C2 . FUL F 5 . ? 59.200 54.845 18.582 1.00 63.75 ? 901 FUL A C2 1 HETATM 3152 O O2 . FUL F 5 . ? 58.827 53.474 18.578 1.00 62.20 ? 901 FUL A O2 1 HETATM 3153 C C3 . FUL F 5 . ? 57.981 55.710 18.873 1.00 63.41 ? 901 FUL A C3 1 HETATM 3154 O O3 . FUL F 5 . ? 56.945 55.394 17.961 1.00 65.56 ? 901 FUL A O3 1 HETATM 3155 C C4 . FUL F 5 . ? 58.360 57.182 18.735 1.00 63.96 ? 901 FUL A C4 1 HETATM 3156 O O4 . FUL F 5 . ? 58.451 57.522 17.358 1.00 62.36 ? 901 FUL A O4 1 HETATM 3157 C C5 . FUL F 5 . ? 59.696 57.476 19.436 1.00 63.24 ? 901 FUL A C5 1 HETATM 3158 C C6 . FUL F 5 . ? 60.845 57.783 18.491 1.00 63.37 ? 901 FUL A C6 1 HETATM 3159 O O5 . FUL F 5 . ? 60.093 56.365 20.292 1.00 62.97 ? 901 FUL A O5 1 HETATM 3160 O O . HOH G 6 . ? 46.196 55.819 6.168 1.00 23.61 ? 902 HOH A O 1 HETATM 3161 O O . HOH G 6 . ? 41.756 58.027 3.487 1.00 29.48 ? 903 HOH A O 1 HETATM 3162 O O . HOH G 6 . ? 40.983 66.546 -18.075 1.00 27.84 ? 904 HOH A O 1 HETATM 3163 O O . HOH G 6 . ? 52.954 41.716 12.151 1.00 24.95 ? 905 HOH A O 1 HETATM 3164 O O . HOH G 6 . ? 52.514 47.065 1.985 1.00 25.04 ? 906 HOH A O 1 HETATM 3165 O O . HOH G 6 . ? 37.954 45.082 -10.501 1.00 18.09 ? 907 HOH A O 1 HETATM 3166 O O . HOH G 6 . ? 67.279 58.084 6.173 1.00 24.05 ? 908 HOH A O 1 HETATM 3167 O O . HOH G 6 . ? 30.010 50.095 -13.211 1.00 21.72 ? 909 HOH A O 1 HETATM 3168 O O . HOH G 6 . ? 56.478 33.972 1.277 1.00 21.68 ? 910 HOH A O 1 HETATM 3169 O O . HOH G 6 . ? 34.903 51.726 8.623 1.00 38.46 ? 911 HOH A O 1 HETATM 3170 O O . HOH G 6 . ? 40.974 43.658 6.094 1.00 29.10 ? 912 HOH A O 1 HETATM 3171 O O . HOH G 6 . ? 51.783 56.100 12.892 1.00 23.04 ? 913 HOH A O 1 HETATM 3172 O O . HOH G 6 . ? 45.902 23.560 6.167 1.00 31.44 ? 914 HOH A O 1 HETATM 3173 O O . HOH G 6 . ? 25.086 50.128 -5.717 1.00 28.07 ? 915 HOH A O 1 HETATM 3174 O O . HOH G 6 . ? 27.718 49.525 -11.554 1.00 25.22 ? 916 HOH A O 1 HETATM 3175 O O . HOH G 6 . ? 45.229 58.715 -10.939 1.00 25.52 ? 917 HOH A O 1 HETATM 3176 O O . HOH G 6 . ? 49.763 65.293 -5.032 1.00 29.03 ? 918 HOH A O 1 HETATM 3177 O O . HOH G 6 . ? 51.738 51.521 -11.299 1.00 27.54 ? 919 HOH A O 1 HETATM 3178 O O . HOH G 6 . ? 29.246 54.026 -1.664 1.00 37.61 ? 920 HOH A O 1 HETATM 3179 O O . HOH G 6 . ? 48.096 44.649 12.264 1.00 26.22 ? 921 HOH A O 1 HETATM 3180 O O . HOH G 6 . ? 43.184 58.583 -9.185 1.00 36.18 ? 922 HOH A O 1 HETATM 3181 O O . HOH G 6 . ? 58.926 28.423 -1.215 1.00 31.89 ? 923 HOH A O 1 HETATM 3182 O O . HOH G 6 . ? 53.544 32.505 -1.407 1.00 29.13 ? 924 HOH A O 1 HETATM 3183 O O . HOH G 6 . ? 57.525 44.936 8.319 1.00 21.20 ? 925 HOH A O 1 HETATM 3184 O O . HOH G 6 . ? 56.742 22.449 14.451 1.00 53.54 ? 926 HOH A O 1 HETATM 3185 O O . HOH G 6 . ? 62.560 36.201 4.879 1.00 28.63 ? 927 HOH A O 1 HETATM 3186 O O . HOH G 6 . ? 48.335 42.032 9.430 1.00 34.88 ? 928 HOH A O 1 HETATM 3187 O O . HOH G 6 . ? 42.089 44.143 -19.425 1.00 28.84 ? 929 HOH A O 1 HETATM 3188 O O . HOH G 6 . ? 43.465 41.641 -16.675 1.00 35.01 ? 930 HOH A O 1 HETATM 3189 O O . HOH G 6 . ? 58.496 61.349 7.589 1.00 26.45 ? 931 HOH A O 1 HETATM 3190 O O . HOH G 6 . ? 73.764 34.349 8.904 1.00 24.85 ? 932 HOH A O 1 HETATM 3191 O O . HOH G 6 . ? 66.354 54.512 7.111 1.00 28.42 ? 933 HOH A O 1 HETATM 3192 O O . HOH G 6 . ? 56.690 50.411 17.824 1.00 24.33 ? 934 HOH A O 1 HETATM 3193 O O . HOH G 6 . ? 39.353 46.890 -18.381 1.00 38.03 ? 935 HOH A O 1 HETATM 3194 O O . HOH G 6 . ? 51.389 57.628 -23.297 1.00 31.38 ? 936 HOH A O 1 HETATM 3195 O O . HOH G 6 . ? 62.325 24.476 13.781 1.00 30.07 ? 937 HOH A O 1 HETATM 3196 O O . HOH G 6 . ? 62.211 52.935 12.170 1.00 33.25 ? 938 HOH A O 1 HETATM 3197 O O . HOH G 6 . ? 61.654 54.116 16.337 1.00 30.94 ? 939 HOH A O 1 HETATM 3198 O O . HOH G 6 . ? 69.285 55.749 -2.239 1.00 44.39 ? 940 HOH A O 1 HETATM 3199 O O . HOH G 6 . ? 46.487 48.921 -17.238 1.00 36.91 ? 941 HOH A O 1 HETATM 3200 O O . HOH G 6 . ? 62.477 13.288 5.306 1.00 33.72 ? 942 HOH A O 1 HETATM 3201 O O . HOH G 6 . ? 25.243 48.378 -13.198 1.00 43.90 ? 943 HOH A O 1 HETATM 3202 O O . HOH G 6 . ? 52.376 52.227 19.981 1.00 27.60 ? 944 HOH A O 1 HETATM 3203 O O . HOH G 6 . ? 51.282 42.365 13.894 1.00 24.18 ? 945 HOH A O 1 HETATM 3204 O O . HOH G 6 . ? 54.848 58.794 18.196 1.00 35.75 ? 946 HOH A O 1 HETATM 3205 O O . HOH G 6 . ? 66.836 53.453 -1.447 1.00 31.19 ? 947 HOH A O 1 HETATM 3206 O O . HOH G 6 . ? 60.679 61.995 6.297 1.00 37.72 ? 948 HOH A O 1 HETATM 3207 O O . HOH G 6 . ? 47.940 60.211 -25.182 1.00 32.53 ? 949 HOH A O 1 HETATM 3208 O O . HOH G 6 . ? 39.589 56.812 -9.385 1.00 40.66 ? 950 HOH A O 1 HETATM 3209 O O . HOH G 6 . ? 50.159 59.031 -20.334 1.00 41.17 ? 951 HOH A O 1 HETATM 3210 O O . HOH G 6 . ? 69.193 28.887 12.027 1.00 34.51 ? 952 HOH A O 1 HETATM 3211 O O . HOH G 6 . ? 42.745 39.206 -14.042 1.00 32.13 ? 953 HOH A O 1 HETATM 3212 O O . HOH G 6 . ? 33.062 44.453 -17.553 1.00 31.84 ? 954 HOH A O 1 HETATM 3213 O O . HOH G 6 . ? 38.341 57.378 13.182 1.00 48.13 ? 955 HOH A O 1 HETATM 3214 O O . HOH G 6 . ? 63.381 33.532 0.953 1.00 31.16 ? 956 HOH A O 1 HETATM 3215 O O . HOH G 6 . ? 39.118 48.048 -26.160 1.00 31.19 ? 957 HOH A O 1 HETATM 3216 O O . HOH G 6 . ? 54.812 52.198 -11.485 1.00 43.86 ? 958 HOH A O 1 HETATM 3217 O O . HOH G 6 . ? 37.473 45.270 -17.476 1.00 32.52 ? 959 HOH A O 1 HETATM 3218 O O . HOH G 6 . ? 44.219 64.329 21.565 1.00 46.97 ? 960 HOH A O 1 HETATM 3219 O O . HOH G 6 . ? 58.075 53.576 -17.310 1.00 35.97 ? 961 HOH A O 1 HETATM 3220 O O . HOH G 6 . ? 62.938 63.732 2.066 1.00 44.57 ? 962 HOH A O 1 HETATM 3221 O O . HOH G 6 . ? 29.225 59.359 -14.138 1.00 38.99 ? 963 HOH A O 1 HETATM 3222 O O . HOH G 6 . ? 63.200 59.614 -1.737 1.00 34.54 ? 964 HOH A O 1 HETATM 3223 O O . HOH G 6 . ? 45.811 48.121 -14.728 1.00 27.52 ? 965 HOH A O 1 HETATM 3224 O O . HOH G 6 . ? 67.301 24.047 -1.098 1.00 41.01 ? 966 HOH A O 1 HETATM 3225 O O . HOH G 6 . ? 47.878 46.844 -13.674 1.00 39.68 ? 967 HOH A O 1 HETATM 3226 O O . HOH G 6 . ? 71.322 29.779 13.081 1.00 41.64 ? 968 HOH A O 1 HETATM 3227 O O . HOH G 6 . ? 22.053 43.792 -6.764 1.00 49.56 ? 969 HOH A O 1 HETATM 3228 O O . HOH G 6 . ? 49.488 37.893 9.622 1.00 28.52 ? 970 HOH A O 1 HETATM 3229 O O . HOH G 6 . ? 53.132 16.481 -2.811 1.00 38.87 ? 971 HOH A O 1 HETATM 3230 O O . HOH G 6 . ? 60.782 32.043 -2.241 1.00 49.74 ? 972 HOH A O 1 HETATM 3231 O O . HOH G 6 . ? 67.161 48.650 0.431 1.00 34.33 ? 973 HOH A O 1 HETATM 3232 O O . HOH G 6 . ? 60.213 43.787 18.593 1.00 44.32 ? 974 HOH A O 1 HETATM 3233 O O . HOH G 6 . ? 50.612 1.987 0.652 1.00 57.13 ? 975 HOH A O 1 HETATM 3234 O O . HOH G 6 . ? 46.792 44.514 -19.547 1.00 46.44 ? 976 HOH A O 1 HETATM 3235 O O . HOH G 6 . ? 25.420 45.741 -15.873 1.00 37.32 ? 977 HOH A O 1 HETATM 3236 O O . HOH G 6 . ? 63.248 62.651 -0.224 1.00 43.35 ? 978 HOH A O 1 HETATM 3237 O O . HOH G 6 . ? 27.575 43.828 -17.896 1.00 46.57 ? 979 HOH A O 1 HETATM 3238 O O . HOH G 6 . ? 52.325 31.845 11.953 1.00 22.24 ? 980 HOH A O 1 HETATM 3239 O O . HOH G 6 . ? 57.975 39.728 3.192 1.00 35.59 ? 981 HOH A O 1 HETATM 3240 O O . HOH G 6 . ? 59.786 17.301 12.163 1.00 44.32 ? 982 HOH A O 1 HETATM 3241 O O . HOH G 6 . ? 56.967 61.876 11.738 1.00 38.16 ? 983 HOH A O 1 HETATM 3242 O O . HOH G 6 . ? 38.258 45.446 -21.950 1.00 38.32 ? 984 HOH A O 1 HETATM 3243 O O . HOH G 6 . ? 49.623 34.193 18.907 1.00 37.12 ? 985 HOH A O 1 HETATM 3244 O O . HOH G 6 . ? 48.703 35.009 0.766 1.00 45.26 ? 986 HOH A O 1 HETATM 3245 O O . HOH G 6 . ? 57.190 31.584 -0.633 1.00 41.28 ? 987 HOH A O 1 HETATM 3246 O O . HOH G 6 . ? 50.251 17.769 -0.357 1.00 37.63 ? 988 HOH A O 1 HETATM 3247 O O . HOH G 6 . ? 51.263 41.138 2.065 1.00 49.67 ? 989 HOH A O 1 HETATM 3248 O O . HOH G 6 . ? 56.348 65.751 -3.498 1.00 36.99 ? 990 HOH A O 1 HETATM 3249 O O . HOH G 6 . ? 48.469 62.444 -16.539 1.00 32.86 ? 991 HOH A O 1 HETATM 3250 O O . HOH G 6 . ? 50.648 40.496 9.412 1.00 41.32 ? 992 HOH A O 1 HETATM 3251 O O . HOH G 6 . ? 30.679 58.823 1.510 1.00 42.62 ? 993 HOH A O 1 HETATM 3252 O O . HOH G 6 . ? 29.953 56.627 4.723 1.00 43.33 ? 994 HOH A O 1 HETATM 3253 O O . HOH G 6 . ? 51.176 20.806 12.576 1.00 49.62 ? 995 HOH A O 1 HETATM 3254 O O . HOH G 6 . ? 49.155 22.790 11.696 1.00 44.79 ? 996 HOH A O 1 HETATM 3255 O O . HOH G 6 . ? 69.673 36.162 9.721 1.00 49.16 ? 997 HOH A O 1 HETATM 3256 O O . HOH G 6 . ? 41.404 39.777 -17.371 1.00 41.26 ? 998 HOH A O 1 HETATM 3257 O O . HOH G 6 . ? 69.074 51.813 1.310 1.00 46.77 ? 999 HOH A O 1 HETATM 3258 O O . HOH G 6 . ? 24.469 51.189 -8.098 1.00 48.66 ? 1000 HOH A O 1 HETATM 3259 O O . HOH G 6 . ? 33.222 43.343 -0.781 1.00 40.93 ? 1001 HOH A O 1 HETATM 3260 O O . HOH G 6 . ? 33.845 52.369 11.492 1.00 40.29 ? 1002 HOH A O 1 HETATM 3261 O O . HOH G 6 . ? 64.522 51.063 7.665 1.00 37.12 ? 1003 HOH A O 1 HETATM 3262 O O . HOH G 6 . ? 50.274 44.797 13.777 1.00 31.30 ? 1004 HOH A O 1 HETATM 3263 O O . HOH G 6 . ? 39.814 47.108 -0.458 1.00 31.08 ? 1005 HOH A O 1 HETATM 3264 O O . HOH G 6 . ? 68.129 15.402 0.657 1.00 42.19 ? 1006 HOH A O 1 HETATM 3265 O O . HOH G 6 . ? 61.026 60.816 -2.842 1.00 38.81 ? 1007 HOH A O 1 HETATM 3266 O O . HOH G 6 . ? 62.355 54.384 5.887 1.00 27.94 ? 1008 HOH A O 1 HETATM 3267 O O . HOH G 6 . ? 63.070 52.831 9.478 1.00 36.46 ? 1009 HOH A O 1 HETATM 3268 O O . HOH G 6 . ? 51.145 61.799 -18.792 1.00 45.68 ? 1010 HOH A O 1 HETATM 3269 O O . HOH G 6 . ? 70.956 33.475 6.577 1.00 44.11 ? 1011 HOH A O 1 HETATM 3270 O O . HOH G 6 . ? 52.834 41.634 16.346 1.00 55.30 ? 1012 HOH A O 1 HETATM 3271 O O . HOH G 6 . ? 54.989 48.428 17.486 1.00 27.42 ? 1013 HOH A O 1 HETATM 3272 O O . HOH G 6 . ? 47.297 37.525 10.752 1.00 37.80 ? 1014 HOH A O 1 HETATM 3273 O O . HOH G 6 . ? 47.872 46.888 -18.542 1.00 40.51 ? 1015 HOH A O 1 HETATM 3274 O O . HOH G 6 . ? 62.603 56.599 16.567 1.00 53.04 ? 1016 HOH A O 1 HETATM 3275 O O . HOH G 6 . ? 38.562 44.035 5.671 1.00 50.84 ? 1017 HOH A O 1 HETATM 3276 O O . HOH G 6 . ? 73.076 27.764 13.302 1.00 70.34 ? 1018 HOH A O 1 HETATM 3277 O O . HOH G 6 . ? 38.545 57.381 15.803 1.00 34.61 ? 1019 HOH A O 1 HETATM 3278 O O . HOH G 6 . ? 68.364 46.508 1.105 1.00 33.42 ? 1020 HOH A O 1 HETATM 3279 O O . HOH G 6 . ? 54.928 30.141 -3.319 1.00 54.96 ? 1021 HOH A O 1 HETATM 3280 O O . HOH G 6 . ? 51.945 54.761 -22.288 1.00 41.56 ? 1022 HOH A O 1 HETATM 3281 O O . HOH G 6 . ? 24.725 44.455 -19.061 1.00 46.23 ? 1023 HOH A O 1 HETATM 3282 O O . HOH G 6 . ? 49.644 45.596 16.147 1.00 31.83 ? 1024 HOH A O 1 HETATM 3283 O O . HOH G 6 . ? 55.118 66.153 -9.804 1.00 34.71 ? 1025 HOH A O 1 HETATM 3284 O O . HOH G 6 . ? 69.834 24.377 3.828 1.00 46.88 ? 1026 HOH A O 1 HETATM 3285 O O . HOH G 6 . ? 53.794 63.238 -16.390 1.00 40.94 ? 1027 HOH A O 1 HETATM 3286 O O . HOH G 6 . ? 38.678 55.007 -29.936 1.00 64.89 ? 1028 HOH A O 1 HETATM 3287 O O . HOH G 6 . ? 39.633 42.022 12.736 1.00 48.83 ? 1029 HOH A O 1 HETATM 3288 O O . HOH G 6 . ? 35.183 45.111 -18.867 1.00 45.42 ? 1030 HOH A O 1 HETATM 3289 O O . HOH G 6 . ? 52.833 12.901 10.537 1.00 34.61 ? 1031 HOH A O 1 HETATM 3290 O O . HOH G 6 . ? 63.271 53.282 14.517 1.00 58.72 ? 1032 HOH A O 1 HETATM 3291 O O . HOH G 6 . ? 64.831 31.573 -2.699 1.00 45.84 ? 1033 HOH A O 1 HETATM 3292 O O . HOH G 6 . ? 63.441 52.176 5.197 1.00 25.40 ? 1034 HOH A O 1 HETATM 3293 O O . HOH G 6 . ? 49.255 6.935 7.652 1.00 50.41 ? 1035 HOH A O 1 HETATM 3294 O O . HOH G 6 . ? 64.757 48.003 7.643 1.00 37.09 ? 1036 HOH A O 1 HETATM 3295 O O . HOH G 6 . ? 48.278 9.220 7.361 1.00 44.80 ? 1037 HOH A O 1 HETATM 3296 O O . HOH G 6 . ? 63.709 37.112 2.373 1.00 44.88 ? 1038 HOH A O 1 HETATM 3297 O O . HOH G 6 . ? 55.875 36.392 0.025 1.00 48.92 ? 1039 HOH A O 1 HETATM 3298 O O . HOH G 6 . ? 57.170 54.290 -19.898 1.00 49.69 ? 1040 HOH A O 1 HETATM 3299 O O . HOH G 6 . ? 55.827 29.515 19.274 1.00 48.95 ? 1041 HOH A O 1 HETATM 3300 O O . HOH G 6 . ? 46.462 23.773 3.485 1.00 30.63 ? 1042 HOH A O 1 HETATM 3301 O O . HOH G 6 . ? 34.111 58.993 -13.430 1.00 25.18 ? 1043 HOH A O 1 HETATM 3302 O O . HOH G 6 . ? 52.347 46.284 12.772 1.00 63.53 ? 1044 HOH A O 1 HETATM 3303 O O . HOH G 6 . ? 70.447 24.303 6.488 1.00 50.50 ? 1045 HOH A O 1 HETATM 3304 O O . HOH G 6 . ? 44.517 49.561 -25.759 1.00 33.37 ? 1046 HOH A O 1 HETATM 3305 O O . HOH G 6 . ? 43.424 47.411 -26.715 1.00 34.72 ? 1047 HOH A O 1 HETATM 3306 O O . HOH G 6 . ? 54.733 63.228 -13.682 1.00 31.15 ? 1048 HOH A O 1 HETATM 3307 O O . HOH G 6 . ? 63.480 45.072 8.135 1.00 44.89 ? 1049 HOH A O 1 HETATM 3308 O O . HOH G 6 . ? 69.772 47.105 3.108 1.00 39.64 ? 1050 HOH A O 1 HETATM 3309 O O . HOH G 6 . ? 39.600 59.544 16.799 1.00 42.90 ? 1051 HOH A O 1 HETATM 3310 O O . HOH G 6 . ? 25.164 41.339 -11.197 1.00 41.88 ? 1052 HOH A O 1 HETATM 3311 O O . HOH G 6 . ? 30.636 42.687 -8.105 1.00 37.96 ? 1053 HOH A O 1 HETATM 3312 O O . HOH G 6 . ? 28.297 45.909 -23.180 1.00 48.64 ? 1054 HOH A O 1 HETATM 3313 O O . HOH G 6 . ? 54.408 37.998 16.767 1.00 41.23 ? 1055 HOH A O 1 HETATM 3314 O O . HOH G 6 . ? 57.097 3.338 -4.394 1.00 45.29 ? 1056 HOH A O 1 HETATM 3315 O O . HOH G 6 . ? 46.918 64.698 14.451 1.00 47.63 ? 1057 HOH A O 1 HETATM 3316 O O . HOH G 6 . ? 50.808 44.119 24.123 1.00 47.52 ? 1058 HOH A O 1 HETATM 3317 O O . HOH G 6 . ? 39.188 61.693 15.428 1.00 36.44 ? 1059 HOH A O 1 HETATM 3318 O O . HOH G 6 . ? 62.463 44.431 3.938 1.00 54.14 ? 1060 HOH A O 1 HETATM 3319 O O . HOH G 6 . ? 59.034 45.677 -0.242 1.00 41.14 ? 1061 HOH A O 1 HETATM 3320 O O . HOH G 6 . ? 46.256 30.782 -1.582 1.00 50.75 ? 1062 HOH A O 1 HETATM 3321 O O . HOH G 6 . ? 26.563 55.214 6.876 1.00 43.69 ? 1063 HOH A O 1 HETATM 3322 O O . HOH G 6 . ? 54.512 45.434 -2.041 1.00 41.82 ? 1064 HOH A O 1 HETATM 3323 O O . HOH G 6 . ? 26.776 52.459 6.831 1.00 45.49 ? 1065 HOH A O 1 HETATM 3324 O O . HOH G 6 . ? 43.393 3.280 -3.178 1.00 53.43 ? 1066 HOH A O 1 HETATM 3325 O O . HOH G 6 . ? 60.518 23.222 15.409 1.00 49.09 ? 1067 HOH A O 1 HETATM 3326 O O . HOH G 6 . ? 34.666 48.255 13.789 1.00 44.81 ? 1068 HOH A O 1 HETATM 3327 O O . HOH G 6 . ? 43.797 44.132 13.592 1.00 43.28 ? 1069 HOH A O 1 HETATM 3328 O O . HOH G 6 . ? 67.148 50.210 8.002 1.00 47.27 ? 1070 HOH A O 1 HETATM 3329 O O . HOH G 6 . ? 46.766 63.630 20.650 1.00 49.62 ? 1071 HOH A O 1 HETATM 3330 O O . HOH G 6 . ? 64.400 36.231 15.183 1.00 43.66 ? 1072 HOH A O 1 HETATM 3331 O O . HOH G 6 . ? 27.531 53.852 -8.721 1.00 51.34 ? 1073 HOH A O 1 HETATM 3332 O O . HOH G 6 . ? 57.760 38.943 18.131 1.00 43.86 ? 1074 HOH A O 1 HETATM 3333 O O . HOH G 6 . ? 55.417 43.521 1.082 1.00 44.05 ? 1075 HOH A O 1 HETATM 3334 O O . HOH G 6 . ? 68.976 22.803 10.244 1.00 48.28 ? 1076 HOH A O 1 HETATM 3335 O O . HOH G 6 . ? 62.553 43.687 17.463 1.00 47.21 ? 1077 HOH A O 1 HETATM 3336 O O . HOH G 6 . ? 67.552 2.605 1.752 1.00 46.36 ? 1078 HOH A O 1 HETATM 3337 O O . HOH G 6 . ? 27.843 51.409 1.224 1.00 48.37 ? 1079 HOH A O 1 HETATM 3338 O O . HOH G 6 . ? 63.297 40.749 15.908 1.00 41.93 ? 1080 HOH A O 1 HETATM 3339 O O . HOH G 6 . ? 56.858 50.430 20.407 1.00 43.18 ? 1081 HOH A O 1 HETATM 3340 O O . HOH G 6 . ? 40.863 45.923 -25.759 1.00 51.35 ? 1082 HOH A O 1 HETATM 3341 O O . HOH G 6 . ? 61.949 34.744 16.312 1.00 45.09 ? 1083 HOH A O 1 HETATM 3342 O O . HOH G 6 . ? 39.916 48.024 13.654 1.00 47.08 ? 1084 HOH A O 1 HETATM 3343 O O . HOH G 6 . ? 32.863 42.149 -11.011 1.00 44.11 ? 1085 HOH A O 1 HETATM 3344 O O . HOH G 6 . ? 57.028 60.214 15.155 1.00 52.52 ? 1086 HOH A O 1 HETATM 3345 O O . HOH G 6 . ? 61.379 52.794 -10.190 1.00 43.98 ? 1087 HOH A O 1 HETATM 3346 O O . HOH G 6 . ? 25.264 54.882 -7.515 1.00 53.31 ? 1088 HOH A O 1 HETATM 3347 O O . HOH G 6 . ? 35.292 40.895 -16.522 1.00 50.55 ? 1089 HOH A O 1 HETATM 3348 O O . HOH G 6 . ? 44.965 37.686 17.069 1.00 48.24 ? 1090 HOH A O 1 HETATM 3349 O O . HOH H 6 . ? 37.804 19.496 12.742 1.00 32.43 ? 100 HOH B O 1 HETATM 3350 O O . HOH H 6 . ? 51.463 29.319 12.033 1.00 21.62 ? 101 HOH B O 1 HETATM 3351 O O . HOH H 6 . ? 45.837 38.569 2.184 1.00 25.79 ? 102 HOH B O 1 HETATM 3352 O O . HOH H 6 . ? 47.373 30.525 0.876 1.00 28.24 ? 103 HOH B O 1 HETATM 3353 O O . HOH H 6 . ? 46.595 24.179 20.816 1.00 28.26 ? 104 HOH B O 1 HETATM 3354 O O . HOH H 6 . ? 43.178 21.709 7.793 1.00 35.18 ? 105 HOH B O 1 HETATM 3355 O O . HOH H 6 . ? 46.142 23.415 11.394 1.00 27.86 ? 106 HOH B O 1 HETATM 3356 O O . HOH H 6 . ? 28.811 30.575 4.850 1.00 45.96 ? 107 HOH B O 1 HETATM 3357 O O . HOH H 6 . ? 40.664 17.343 12.351 1.00 43.87 ? 108 HOH B O 1 HETATM 3358 O O . HOH H 6 . ? 47.497 28.436 -1.872 1.00 32.37 ? 109 HOH B O 1 HETATM 3359 O O . HOH H 6 . ? 37.789 22.752 20.929 1.00 30.90 ? 110 HOH B O 1 HETATM 3360 O O . HOH H 6 . ? 55.154 28.619 16.101 1.00 29.96 ? 111 HOH B O 1 HETATM 3361 O O . HOH H 6 . ? 42.446 23.413 4.618 1.00 31.59 ? 112 HOH B O 1 HETATM 3362 O O . HOH H 6 . ? 39.410 20.320 18.622 1.00 30.28 ? 113 HOH B O 1 HETATM 3363 O O . HOH H 6 . ? 35.342 23.262 23.807 1.00 39.51 ? 114 HOH B O 1 HETATM 3364 O O . HOH H 6 . ? 41.679 35.367 16.475 1.00 30.12 ? 115 HOH B O 1 HETATM 3365 O O . HOH H 6 . ? 46.083 22.242 9.142 1.00 32.28 ? 116 HOH B O 1 HETATM 3366 O O . HOH H 6 . ? 31.165 32.724 12.035 1.00 41.35 ? 117 HOH B O 1 HETATM 3367 O O . HOH H 6 . ? 36.166 26.870 20.947 1.00 38.80 ? 118 HOH B O 1 HETATM 3368 O O . HOH H 6 . ? 47.182 14.895 4.148 1.00 46.90 ? 119 HOH B O 1 HETATM 3369 O O . HOH H 6 . ? 45.941 34.580 -7.336 1.00 42.83 ? 120 HOH B O 1 HETATM 3370 O O . HOH H 6 . ? 40.440 16.803 25.190 1.00 42.17 ? 121 HOH B O 1 HETATM 3371 O O . HOH H 6 . ? 31.683 37.392 5.434 1.00 57.23 ? 122 HOH B O 1 HETATM 3372 O O . HOH H 6 . ? 38.917 25.143 -1.628 1.00 42.27 ? 123 HOH B O 1 HETATM 3373 O O . HOH H 6 . ? 49.949 37.961 -6.784 1.00 39.48 ? 124 HOH B O 1 HETATM 3374 O O . HOH H 6 . ? 37.125 12.817 19.925 1.00 52.84 ? 125 HOH B O 1 HETATM 3375 O O . HOH H 6 . ? 38.811 17.300 14.428 1.00 32.27 ? 126 HOH B O 1 HETATM 3376 O O . HOH H 6 . ? 40.581 30.276 -8.051 1.00 43.62 ? 127 HOH B O 1 HETATM 3377 O O . HOH H 6 . ? 36.154 31.234 19.284 1.00 39.83 ? 128 HOH B O 1 HETATM 3378 O O . HOH H 6 . ? 37.630 27.586 22.784 1.00 38.85 ? 129 HOH B O 1 HETATM 3379 O O . HOH H 6 . ? 27.536 20.069 -4.713 1.00 47.22 ? 130 HOH B O 1 HETATM 3380 O O . HOH H 6 . ? 34.613 41.246 0.666 1.00 42.28 ? 131 HOH B O 1 HETATM 3381 O O . HOH H 6 . ? 26.691 19.220 14.558 1.00 41.44 ? 132 HOH B O 1 HETATM 3382 O O . HOH H 6 . ? 34.797 28.575 19.243 1.00 42.35 ? 133 HOH B O 1 HETATM 3383 O O . HOH H 6 . ? 46.092 14.819 6.722 1.00 45.10 ? 134 HOH B O 1 HETATM 3384 O O . HOH H 6 . ? 54.501 26.964 18.435 1.00 61.27 ? 135 HOH B O 1 HETATM 3385 O O . HOH H 6 . ? 36.164 41.886 11.678 1.00 48.58 ? 136 HOH B O 1 HETATM 3386 O O . HOH H 6 . ? 38.476 35.882 18.223 1.00 52.53 ? 137 HOH B O 1 HETATM 3387 O O . HOH H 6 . ? 30.475 40.993 -5.981 1.00 47.64 ? 138 HOH B O 1 HETATM 3388 O O . HOH H 6 . ? 51.738 26.649 23.896 1.00 66.58 ? 139 HOH B O 1 HETATM 3389 O O . HOH H 6 . ? 48.644 26.486 21.066 1.00 46.19 ? 140 HOH B O 1 HETATM 3390 O O . HOH H 6 . ? 34.154 39.768 -11.527 1.00 56.66 ? 141 HOH B O 1 HETATM 3391 O O . HOH H 6 . ? 48.487 39.584 3.808 1.00 58.30 ? 142 HOH B O 1 HETATM 3392 O O . HOH H 6 . ? 52.240 33.085 20.182 1.00 56.29 ? 143 HOH B O 1 HETATM 3393 O O . HOH H 6 . ? 32.297 28.947 19.924 1.00 38.28 ? 144 HOH B O 1 HETATM 3394 O O . HOH H 6 . ? 37.842 24.207 24.646 1.00 39.54 ? 145 HOH B O 1 HETATM 3395 O O . HOH H 6 . ? 40.118 22.062 27.264 1.00 56.32 ? 146 HOH B O 1 HETATM 3396 O O . HOH H 6 . ? 55.824 30.705 17.007 1.00 40.65 ? 147 HOH B O 1 HETATM 3397 O O . HOH H 6 . ? 53.195 34.675 17.217 1.00 34.79 ? 148 HOH B O 1 HETATM 3398 O O . HOH H 6 . ? 29.507 43.287 -0.951 1.00 42.15 ? 149 HOH B O 1 HETATM 3399 O O . HOH H 6 . ? 41.614 21.073 5.524 1.00 44.76 ? 150 HOH B O 1 HETATM 3400 O O . HOH H 6 . ? 30.633 40.440 0.590 1.00 42.13 ? 151 HOH B O 1 HETATM 3401 O O . HOH H 6 . ? 47.005 17.087 21.995 1.00 44.16 ? 152 HOH B O 1 HETATM 3402 O O . HOH H 6 . ? 31.573 22.789 12.669 1.00 45.57 ? 153 HOH B O 1 HETATM 3403 O O . HOH H 6 . ? 43.405 36.174 18.381 1.00 47.13 ? 154 HOH B O 1 HETATM 3404 O O . HOH H 6 . ? 24.833 28.057 14.088 1.00 42.33 ? 155 HOH B O 1 HETATM 3405 O O . HOH H 6 . ? 45.979 21.602 29.233 1.00 53.23 ? 156 HOH B O 1 HETATM 3406 O O . HOH H 6 . ? 30.866 35.399 13.624 1.00 47.99 ? 157 HOH B O 1 HETATM 3407 O O . HOH H 6 . ? 36.866 19.436 4.248 1.00 48.30 ? 158 HOH B O 1 HETATM 3408 O O . HOH H 6 . ? 29.511 24.748 19.300 1.00 41.22 ? 159 HOH B O 1 HETATM 3409 O O . HOH H 6 . ? 32.515 26.152 -8.912 1.00 51.88 ? 160 HOH B O 1 HETATM 3410 O O . HOH I 6 . ? 47.462 56.091 -2.025 1.00 38.10 ? 9 HOH P O 1 HETATM 3411 O O . HOH I 6 . ? 38.634 63.790 -11.725 1.00 40.42 ? 10 HOH P O 1 HETATM 3412 O O . HOH I 6 . ? 46.923 62.789 0.397 1.00 44.41 ? 11 HOH P O 1 HETATM 3413 O O . HOH I 6 . ? 38.247 61.018 -4.981 1.00 45.30 ? 12 HOH P O 1 HETATM 3414 O O . HOH I 6 . ? 45.968 63.686 -2.506 1.00 46.45 ? 13 HOH P 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 GLY 1 1 1 GLY GLY A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 HIS 3 3 3 HIS HIS A . n A 1 4 SER 4 4 4 SER SER A . n A 1 5 LEU 5 5 5 LEU LEU A . n A 1 6 ARG 6 6 6 ARG ARG A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 PHE 8 8 8 PHE PHE A . n A 1 9 VAL 9 9 9 VAL VAL A . n A 1 10 THR 10 10 10 THR THR A . n A 1 11 ALA 11 11 11 ALA ALA A . n A 1 12 VAL 12 12 12 VAL VAL A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 PRO 15 15 15 PRO PRO A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 LEU 17 17 17 LEU LEU A . n A 1 18 GLY 18 18 18 GLY GLY A . n A 1 19 GLU 19 19 19 GLU GLU A . n A 1 20 PRO 20 20 20 PRO PRO A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 TYR 22 22 22 TYR TYR A . n A 1 23 MET 23 23 23 MET MET A . n A 1 24 GLU 24 24 24 GLU GLU A . n A 1 25 VAL 25 25 25 VAL VAL A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 TYR 27 27 27 TYR TYR A . n A 1 28 VAL 28 28 28 VAL VAL A . n A 1 29 ASP 29 29 29 ASP ASP A . n A 1 30 ASP 30 30 30 ASP ASP A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 GLU 32 32 32 GLU GLU A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 VAL 34 34 34 VAL VAL A . n A 1 35 ARG 35 35 35 ARG ARG A . n A 1 36 PHE 36 36 36 PHE PHE A . n A 1 37 ASP 37 37 37 ASP ASP A . n A 1 38 SER 38 38 38 SER SER A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 GLU 41 41 41 GLU GLU A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 PRO 43 43 43 PRO PRO A . n A 1 44 ARG 44 44 44 ARG ARG A . n A 1 45 TYR 45 45 45 TYR TYR A . n A 1 46 GLU 46 46 46 GLU GLU A . n A 1 47 PRO 47 47 47 PRO PRO A . n A 1 48 ARG 48 48 48 ARG ARG A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 TRP 51 51 51 TRP TRP A . n A 1 52 MET 52 52 52 MET MET A . n A 1 53 GLU 53 53 53 GLU GLU A . n A 1 54 GLN 54 54 54 GLN GLN A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 PRO 57 57 57 PRO PRO A . n A 1 58 GLU 58 58 58 GLU GLU A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 TRP 60 60 60 TRP TRP A . n A 1 61 GLU 61 61 61 GLU GLU A . n A 1 62 ARG 62 62 62 ARG ARG A . n A 1 63 GLU 63 63 63 GLU GLU A . n A 1 64 THR 64 64 64 THR THR A . n A 1 65 GLN 65 65 65 GLN GLN A . n A 1 66 LYS 66 66 66 LYS LYS A . n A 1 67 ALA 67 67 67 ALA ALA A . n A 1 68 LYS 68 68 68 LYS LYS A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 ASN 70 70 70 ASN ASN A . n A 1 71 GLU 71 71 71 GLU GLU A . n A 1 72 GLN 72 72 72 GLN GLN A . n A 1 73 SER 73 73 73 SER SER A . n A 1 74 PHE 74 74 74 PHE PHE A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 VAL 76 76 76 VAL VAL A . n A 1 77 ASP 77 77 77 ASP ASP A . n A 1 78 LEU 78 78 78 LEU LEU A . n A 1 79 ARG 79 79 79 ARG ARG A . n A 1 80 THR 80 80 80 THR THR A . n A 1 81 LEU 81 81 81 LEU LEU A . n A 1 82 LEU 82 82 82 LEU LEU A . n A 1 83 GLY 83 83 83 GLY GLY A . n A 1 84 TYR 84 84 84 TYR TYR A . n A 1 85 TYR 85 85 85 TYR TYR A . n A 1 86 ASN 86 86 86 ASN ASN A . n A 1 87 GLN 87 87 87 GLN GLN A . n A 1 88 SER 88 88 88 SER SER A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 GLY 91 91 91 GLY GLY A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 HIS 93 93 93 HIS HIS A . n A 1 94 THR 94 94 94 THR THR A . n A 1 95 ILE 95 95 95 ILE ILE A . n A 1 96 GLN 96 96 96 GLN GLN A . n A 1 97 VAL 97 97 97 VAL VAL A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 SER 99 99 99 SER SER A . n A 1 100 GLY 100 100 100 GLY GLY A . n A 1 101 CYS 101 101 101 CYS CYS A . n A 1 102 GLU 102 102 102 GLU GLU A . n A 1 103 VAL 103 103 103 VAL VAL A . n A 1 104 GLY 104 104 104 GLY GLY A . n A 1 105 SER 105 105 105 SER SER A . n A 1 106 ASP 106 106 106 ASP ASP A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 ARG 108 108 108 ARG ARG A . n A 1 109 LEU 109 109 109 LEU LEU A . n A 1 110 LEU 110 110 110 LEU LEU A . n A 1 111 ARG 111 111 111 ARG ARG A . n A 1 112 GLY 112 112 112 GLY GLY A . n A 1 113 TYR 113 113 113 TYR TYR A . n A 1 114 GLN 114 114 114 GLN GLN A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 TYR 116 116 116 TYR TYR A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 TYR 118 118 118 TYR TYR A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 CYS 121 121 121 CYS CYS A . n A 1 122 ASP 122 122 122 ASP ASP A . n A 1 123 TYR 123 123 123 TYR TYR A . n A 1 124 ILE 124 124 124 ILE ILE A . n A 1 125 ALA 125 125 125 ALA ALA A . n A 1 126 LEU 126 126 126 LEU LEU A . n A 1 127 ASN 127 127 127 ASN ASN A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 ASP 129 129 129 ASP ASP A . n A 1 130 LEU 130 130 130 LEU LEU A . n A 1 131 LYS 131 131 131 LYS LYS A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 TRP 133 133 133 TRP TRP A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ALA 136 136 136 ALA ALA A . n A 1 137 ASP 137 137 137 ASP ASP A . n A 1 138 MET 138 138 138 MET MET A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 ALA 140 140 140 ALA ALA A . n A 1 141 LEU 141 141 141 LEU LEU A . n A 1 142 ILE 142 142 142 ILE ILE A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 LYS 144 144 144 LYS LYS A . n A 1 145 HIS 145 145 145 HIS HIS A . n A 1 146 LYS 146 146 146 LYS LYS A . n A 1 147 TRP 147 147 147 TRP TRP A . n A 1 148 GLU 148 148 148 GLU GLU A . n A 1 149 GLN 149 149 149 GLN GLN A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 GLY 151 151 151 GLY GLY A . n A 1 152 GLU 152 152 152 GLU GLU A . n A 1 153 ALA 153 153 153 ALA ALA A . n A 1 154 GLU 154 154 154 GLU GLU A . n A 1 155 ARG 155 155 155 ARG ARG A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 ARG 157 157 157 ARG ARG A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 TYR 159 159 159 TYR TYR A . n A 1 160 LEU 160 160 160 LEU LEU A . n A 1 161 GLU 161 161 161 GLU GLU A . n A 1 162 GLY 162 162 162 GLY GLY A . n A 1 163 THR 163 163 163 THR THR A . n A 1 164 CYS 164 164 164 CYS CYS A . n A 1 165 VAL 165 165 165 VAL VAL A . n A 1 166 GLU 166 166 166 GLU GLU A . n A 1 167 TRP 167 167 167 TRP TRP A . n A 1 168 LEU 168 168 168 LEU LEU A . n A 1 169 ARG 169 169 169 ARG ARG A . n A 1 170 ARG 170 170 170 ARG ARG A . n A 1 171 TYR 171 171 171 TYR TYR A . n A 1 172 LEU 172 172 172 LEU LEU A . n A 1 173 LYS 173 173 173 LYS LYS A . n A 1 174 ASN 174 174 174 ASN ASN A . n A 1 175 GLY 175 175 175 GLY GLY A . n A 1 176 ASN 176 176 176 ASN ASN A . n A 1 177 ALA 177 177 177 ALA ALA A . n A 1 178 THR 178 178 178 THR THR A . n A 1 179 LEU 179 179 179 LEU LEU A . n A 1 180 LEU 180 180 180 LEU LEU A . n A 1 181 ARG 181 181 181 ARG ARG A . n A 1 182 THR 182 182 182 THR THR A . n A 1 183 ASP 183 183 183 ASP ASP A . n A 1 184 SER 184 184 184 SER SER A . n A 1 185 PRO 185 185 185 PRO PRO A . n A 1 186 LYS 186 186 186 LYS LYS A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 HIS 188 188 188 HIS HIS A . n A 1 189 VAL 189 189 189 VAL VAL A . n A 1 190 THR 190 190 190 THR THR A . n A 1 191 HIS 191 191 191 HIS HIS A . n A 1 192 HIS 192 192 192 HIS HIS A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 ARG 194 194 194 ARG ARG A . n A 1 195 PRO 195 195 195 PRO PRO A . n A 1 196 GLU 196 196 196 GLU GLU A . n A 1 197 ASP 197 197 197 ASP ASP A . n A 1 198 LYS 198 198 198 LYS LYS A . n A 1 199 VAL 199 199 199 VAL VAL A . n A 1 200 THR 200 200 200 THR THR A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 ARG 202 202 202 ARG ARG A . n A 1 203 CYS 203 203 203 CYS CYS A . n A 1 204 TRP 204 204 204 TRP TRP A . n A 1 205 ALA 205 205 205 ALA ALA A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 PHE 208 208 208 PHE PHE A . n A 1 209 TYR 209 209 209 TYR TYR A . n A 1 210 PRO 210 210 210 PRO PRO A . n A 1 211 ALA 211 211 211 ALA ALA A . n A 1 212 ASP 212 212 212 ASP ASP A . n A 1 213 ILE 213 213 213 ILE ILE A . n A 1 214 THR 214 214 214 THR THR A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 THR 216 216 216 THR THR A . n A 1 217 TRP 217 217 217 TRP TRP A . n A 1 218 GLN 218 218 218 GLN GLN A . n A 1 219 LEU 219 219 219 LEU LEU A . n A 1 220 ASN 220 220 220 ASN ASN A . n A 1 221 GLY 221 221 221 GLY GLY A . n A 1 222 GLU 222 222 222 GLU GLU A . n A 1 223 GLU 223 223 223 GLU GLU A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 ILE 225 225 225 ILE ILE A . n A 1 226 GLN 226 226 226 GLN GLN A . n A 1 227 ASP 227 227 227 ASP ASP A . n A 1 228 MET 228 228 228 MET MET A . n A 1 229 GLU 229 229 229 GLU GLU A . n A 1 230 LEU 230 230 230 LEU LEU A . n A 1 231 VAL 231 231 231 VAL VAL A . n A 1 232 GLU 232 232 232 GLU GLU A . n A 1 233 THR 233 233 233 THR THR A . n A 1 234 ARG 234 234 234 ARG ARG A . n A 1 235 PRO 235 235 235 PRO PRO A . n A 1 236 ALA 236 236 236 ALA ALA A . n A 1 237 GLY 237 237 237 GLY GLY A . n A 1 238 ASP 238 238 238 ASP ASP A . n A 1 239 GLY 239 239 239 GLY GLY A . n A 1 240 THR 240 240 240 THR THR A . n A 1 241 PHE 241 241 241 PHE PHE A . n A 1 242 GLN 242 242 242 GLN GLN A . n A 1 243 LYS 243 243 243 LYS LYS A . n A 1 244 TRP 244 244 244 TRP TRP A . n A 1 245 ALA 245 245 245 ALA ALA A . n A 1 246 SER 246 246 246 SER SER A . n A 1 247 VAL 247 247 247 VAL VAL A . n A 1 248 VAL 248 248 248 VAL VAL A . n A 1 249 VAL 249 249 249 VAL VAL A . n A 1 250 PRO 250 250 250 PRO PRO A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 GLY 252 252 252 GLY GLY A . n A 1 253 LYS 253 253 253 LYS LYS A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 GLN 255 255 255 GLN GLN A . n A 1 256 TYR 256 256 256 TYR TYR A . n A 1 257 TYR 257 257 257 TYR TYR A . n A 1 258 THR 258 258 258 THR THR A . n A 1 259 CYS 259 259 259 CYS CYS A . n A 1 260 HIS 260 260 260 HIS HIS A . n A 1 261 VAL 261 261 261 VAL VAL A . n A 1 262 TYR 262 262 262 TYR TYR A . n A 1 263 HIS 263 263 263 HIS HIS A . n A 1 264 GLN 264 264 264 GLN GLN A . n A 1 265 GLY 265 265 265 GLY GLY A . n A 1 266 LEU 266 266 266 LEU LEU A . n A 1 267 PRO 267 267 267 PRO PRO A . n A 1 268 GLU 268 268 268 GLU GLU A . n A 1 269 PRO 269 269 269 PRO PRO A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 THR 271 271 271 THR THR A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 ARG 273 273 273 ARG ARG A . n A 1 274 TRP 274 274 274 TRP TRP A . n B 2 1 ILE 1 1 1 ILE ILE B . n B 2 2 GLN 2 2 2 GLN GLN B . n B 2 3 LYS 3 3 3 LYS LYS B . n B 2 4 THR 4 4 4 THR THR B . n B 2 5 PRO 5 5 5 PRO PRO B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 ILE 7 7 7 ILE ILE B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 VAL 9 9 9 VAL VAL B . n B 2 10 TYR 10 10 10 TYR TYR B . n B 2 11 SER 11 11 11 SER SER B . n B 2 12 ARG 12 12 12 ARG ARG B . n B 2 13 HIS 13 13 13 HIS HIS B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 PRO 15 15 15 PRO PRO B . n B 2 16 GLU 16 16 16 GLU GLU B . n B 2 17 ASN 17 17 17 ASN ASN B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 LYS 19 19 19 LYS LYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASN 21 21 21 ASN ASN B . n B 2 22 ILE 22 22 22 ILE ILE B . n B 2 23 LEU 23 23 23 LEU LEU B . n B 2 24 ASN 24 24 24 ASN ASN B . n B 2 25 CYS 25 25 25 CYS CYS B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 VAL 27 27 27 VAL VAL B . n B 2 28 THR 28 28 28 THR THR B . n B 2 29 GLN 29 29 29 GLN GLN B . n B 2 30 PHE 30 30 30 PHE PHE B . n B 2 31 HIS 31 31 31 HIS HIS B . n B 2 32 PRO 32 32 32 PRO PRO B . n B 2 33 PRO 33 33 33 PRO PRO B . n B 2 34 HIS 34 34 34 HIS HIS B . n B 2 35 ILE 35 35 35 ILE ILE B . n B 2 36 GLU 36 36 36 GLU GLU B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 MET 39 39 39 MET MET B . n B 2 40 LEU 40 40 40 LEU LEU B . n B 2 41 LYS 41 41 41 LYS LYS B . n B 2 42 ASN 42 42 42 ASN ASN B . n B 2 43 GLY 43 43 43 GLY GLY B . n B 2 44 LYS 44 44 44 LYS LYS B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 ILE 46 46 46 ILE ILE B . n B 2 47 PRO 47 47 47 PRO PRO B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 VAL 49 49 49 VAL VAL B . n B 2 50 GLU 50 50 50 GLU GLU B . n B 2 51 MET 51 51 51 MET MET B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASP 53 53 53 ASP ASP B . n B 2 54 MET 54 54 54 MET MET B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PHE 56 56 56 PHE PHE B . n B 2 57 SER 57 57 57 SER SER B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 TRP 60 60 60 TRP TRP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 TYR 63 63 63 TYR TYR B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 LEU 65 65 65 LEU LEU B . n B 2 66 ALA 66 66 66 ALA ALA B . n B 2 67 HIS 67 67 67 HIS HIS B . n B 2 68 THR 68 68 68 THR THR B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 THR 71 71 71 THR THR B . n B 2 72 PRO 72 72 72 PRO PRO B . n B 2 73 THR 73 73 73 THR THR B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 THR 75 75 75 THR THR B . n B 2 76 ASP 76 76 76 ASP ASP B . n B 2 77 THR 77 77 77 THR THR B . n B 2 78 TYR 78 78 78 TYR TYR B . n B 2 79 ALA 79 79 79 ALA ALA B . n B 2 80 CYS 80 80 80 CYS CYS B . n B 2 81 ARG 81 81 81 ARG ARG B . n B 2 82 VAL 82 82 82 VAL VAL B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 HIS 84 84 84 HIS HIS B . n B 2 85 ASP 85 85 85 ASP ASP B . n B 2 86 SER 86 86 86 SER SER B . n B 2 87 MET 87 87 87 MET MET B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 GLU 89 89 89 GLU GLU B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 LYS 91 91 91 LYS LYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 VAL 93 93 93 VAL VAL B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 TRP 95 95 95 TRP TRP B . n B 2 96 ASP 96 96 96 ASP ASP B . n B 2 97 ARG 97 97 97 ARG ARG B . n B 2 98 ASP 98 98 98 ASP ASP B . n B 2 99 MET 99 99 99 MET MET B . n C 3 1 SER 1 1 1 SER SER P . n C 3 2 GLU 2 2 2 GLU GLU P . n C 3 3 ILE 3 3 3 ILE ILE P . n C 3 4 GLU 4 4 4 GLU GLU P . n C 3 5 PHE 5 5 5 PHE PHE P . n C 3 6 ALA 6 6 6 ALA ALA P . n C 3 7 ARG 7 7 7 ARG ARG P . n C 3 8 LEU 8 8 8 LEU LEU P . 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 D 4 NAG 1 801 801 NAG NAG A . E 4 NAG 1 802 802 NAG NAG A . F 5 FUL 2 901 901 FUL FCB A . G 6 HOH 1 902 1 HOH WAT A . G 6 HOH 2 903 2 HOH WAT A . G 6 HOH 3 904 5 HOH WAT A . G 6 HOH 4 905 6 HOH WAT A . G 6 HOH 5 906 9 HOH WAT A . G 6 HOH 6 907 10 HOH WAT A . G 6 HOH 7 908 11 HOH WAT A . G 6 HOH 8 909 12 HOH WAT A . G 6 HOH 9 910 14 HOH WAT A . G 6 HOH 10 911 15 HOH WAT A . G 6 HOH 11 912 16 HOH WAT A . G 6 HOH 12 913 17 HOH WAT A . G 6 HOH 13 914 19 HOH WAT A . G 6 HOH 14 915 20 HOH WAT A . G 6 HOH 15 916 21 HOH WAT A . G 6 HOH 16 917 22 HOH WAT A . G 6 HOH 17 918 23 HOH WAT A . G 6 HOH 18 919 24 HOH WAT A . G 6 HOH 19 920 25 HOH WAT A . G 6 HOH 20 921 26 HOH WAT A . G 6 HOH 21 922 27 HOH WAT A . G 6 HOH 22 923 30 HOH WAT A . G 6 HOH 23 924 31 HOH WAT A . G 6 HOH 24 925 32 HOH WAT A . G 6 HOH 25 926 33 HOH WAT A . G 6 HOH 26 927 34 HOH WAT A . G 6 HOH 27 928 35 HOH WAT A . G 6 HOH 28 929 37 HOH WAT A . G 6 HOH 29 930 38 HOH WAT A . G 6 HOH 30 931 41 HOH WAT A . G 6 HOH 31 932 43 HOH WAT A . G 6 HOH 32 933 44 HOH WAT A . G 6 HOH 33 934 45 HOH WAT A . G 6 HOH 34 935 46 HOH WAT A . G 6 HOH 35 936 47 HOH WAT A . G 6 HOH 36 937 48 HOH WAT A . G 6 HOH 37 938 49 HOH WAT A . G 6 HOH 38 939 50 HOH WAT A . G 6 HOH 39 940 51 HOH WAT A . G 6 HOH 40 941 53 HOH WAT A . G 6 HOH 41 942 54 HOH WAT A . G 6 HOH 42 943 56 HOH WAT A . G 6 HOH 43 944 57 HOH WAT A . G 6 HOH 44 945 58 HOH WAT A . G 6 HOH 45 946 59 HOH WAT A . G 6 HOH 46 947 61 HOH WAT A . G 6 HOH 47 948 62 HOH WAT A . G 6 HOH 48 949 63 HOH WAT A . G 6 HOH 49 950 64 HOH WAT A . G 6 HOH 50 951 65 HOH WAT A . G 6 HOH 51 952 66 HOH WAT A . G 6 HOH 52 953 67 HOH WAT A . G 6 HOH 53 954 72 HOH WAT A . G 6 HOH 54 955 73 HOH WAT A . G 6 HOH 55 956 74 HOH WAT A . G 6 HOH 56 957 76 HOH WAT A . G 6 HOH 57 958 77 HOH WAT A . G 6 HOH 58 959 78 HOH WAT A . G 6 HOH 59 960 79 HOH WAT A . G 6 HOH 60 961 80 HOH WAT A . G 6 HOH 61 962 82 HOH WAT A . G 6 HOH 62 963 83 HOH WAT A . G 6 HOH 63 964 84 HOH WAT A . G 6 HOH 64 965 86 HOH WAT A . G 6 HOH 65 966 87 HOH WAT A . G 6 HOH 66 967 88 HOH WAT A . G 6 HOH 67 968 89 HOH WAT A . G 6 HOH 68 969 90 HOH WAT A . G 6 HOH 69 970 92 HOH WAT A . G 6 HOH 70 971 94 HOH WAT A . G 6 HOH 71 972 96 HOH WAT A . G 6 HOH 72 973 98 HOH WAT A . G 6 HOH 73 974 99 HOH WAT A . G 6 HOH 74 975 100 HOH WAT A . G 6 HOH 75 976 101 HOH WAT A . G 6 HOH 76 977 102 HOH WAT A . G 6 HOH 77 978 103 HOH WAT A . G 6 HOH 78 979 105 HOH WAT A . G 6 HOH 79 980 107 HOH WAT A . G 6 HOH 80 981 108 HOH WAT A . G 6 HOH 81 982 109 HOH WAT A . G 6 HOH 82 983 110 HOH WAT A . G 6 HOH 83 984 111 HOH WAT A . G 6 HOH 84 985 113 HOH WAT A . G 6 HOH 85 986 114 HOH WAT A . G 6 HOH 86 987 115 HOH WAT A . G 6 HOH 87 988 117 HOH WAT A . G 6 HOH 88 989 118 HOH WAT A . G 6 HOH 89 990 119 HOH WAT A . G 6 HOH 90 991 120 HOH WAT A . G 6 HOH 91 992 121 HOH WAT A . G 6 HOH 92 993 122 HOH WAT A . G 6 HOH 93 994 123 HOH WAT A . G 6 HOH 94 995 124 HOH WAT A . G 6 HOH 95 996 126 HOH WAT A . G 6 HOH 96 997 127 HOH WAT A . G 6 HOH 97 998 128 HOH WAT A . G 6 HOH 98 999 129 HOH WAT A . G 6 HOH 99 1000 130 HOH WAT A . G 6 HOH 100 1001 131 HOH WAT A . G 6 HOH 101 1002 132 HOH WAT A . G 6 HOH 102 1003 133 HOH WAT A . G 6 HOH 103 1004 134 HOH WAT A . G 6 HOH 104 1005 137 HOH WAT A . G 6 HOH 105 1006 138 HOH WAT A . G 6 HOH 106 1007 139 HOH WAT A . G 6 HOH 107 1008 141 HOH WAT A . G 6 HOH 108 1009 142 HOH WAT A . G 6 HOH 109 1010 143 HOH WAT A . G 6 HOH 110 1011 144 HOH WAT A . G 6 HOH 111 1012 145 HOH WAT A . G 6 HOH 112 1013 146 HOH WAT A . G 6 HOH 113 1014 147 HOH WAT A . G 6 HOH 114 1015 148 HOH WAT A . G 6 HOH 115 1016 149 HOH WAT A . G 6 HOH 116 1017 150 HOH WAT A . G 6 HOH 117 1018 151 HOH WAT A . G 6 HOH 118 1019 152 HOH WAT A . G 6 HOH 119 1020 154 HOH WAT A . G 6 HOH 120 1021 155 HOH WAT A . G 6 HOH 121 1022 156 HOH WAT A . G 6 HOH 122 1023 157 HOH WAT A . G 6 HOH 123 1024 158 HOH WAT A . G 6 HOH 124 1025 159 HOH WAT A . G 6 HOH 125 1026 161 HOH WAT A . G 6 HOH 126 1027 162 HOH WAT A . G 6 HOH 127 1028 164 HOH WAT A . G 6 HOH 128 1029 165 HOH WAT A . G 6 HOH 129 1030 166 HOH WAT A . G 6 HOH 130 1031 171 HOH WAT A . G 6 HOH 131 1032 176 HOH WAT A . G 6 HOH 132 1033 181 HOH WAT A . G 6 HOH 133 1034 182 HOH WAT A . G 6 HOH 134 1035 184 HOH WAT A . G 6 HOH 135 1036 185 HOH WAT A . G 6 HOH 136 1037 187 HOH WAT A . G 6 HOH 137 1038 188 HOH WAT A . G 6 HOH 138 1039 189 HOH WAT A . G 6 HOH 139 1040 190 HOH WAT A . G 6 HOH 140 1041 191 HOH WAT A . G 6 HOH 141 1042 192 HOH WAT A . G 6 HOH 142 1043 193 HOH WAT A . G 6 HOH 143 1044 194 HOH WAT A . G 6 HOH 144 1045 195 HOH WAT A . G 6 HOH 145 1046 196 HOH WAT A . G 6 HOH 146 1047 197 HOH WAT A . G 6 HOH 147 1048 198 HOH WAT A . G 6 HOH 148 1049 201 HOH WAT A . G 6 HOH 149 1050 204 HOH WAT A . G 6 HOH 150 1051 205 HOH WAT A . G 6 HOH 151 1052 206 HOH WAT A . G 6 HOH 152 1053 207 HOH WAT A . G 6 HOH 153 1054 209 HOH WAT A . G 6 HOH 154 1055 210 HOH WAT A . G 6 HOH 155 1056 211 HOH WAT A . G 6 HOH 156 1057 212 HOH WAT A . G 6 HOH 157 1058 213 HOH WAT A . G 6 HOH 158 1059 214 HOH WAT A . G 6 HOH 159 1060 215 HOH WAT A . G 6 HOH 160 1061 216 HOH WAT A . G 6 HOH 161 1062 217 HOH WAT A . G 6 HOH 162 1063 218 HOH WAT A . G 6 HOH 163 1064 219 HOH WAT A . G 6 HOH 164 1065 220 HOH WAT A . G 6 HOH 165 1066 221 HOH WAT A . G 6 HOH 166 1067 223 HOH WAT A . G 6 HOH 167 1068 224 HOH WAT A . G 6 HOH 168 1069 226 HOH WAT A . G 6 HOH 169 1070 227 HOH WAT A . G 6 HOH 170 1071 229 HOH WAT A . G 6 HOH 171 1072 230 HOH WAT A . G 6 HOH 172 1073 231 HOH WAT A . G 6 HOH 173 1074 232 HOH WAT A . G 6 HOH 174 1075 233 HOH WAT A . G 6 HOH 175 1076 234 HOH WAT A . G 6 HOH 176 1077 235 HOH WAT A . G 6 HOH 177 1078 236 HOH WAT A . G 6 HOH 178 1079 237 HOH WAT A . G 6 HOH 179 1080 239 HOH WAT A . G 6 HOH 180 1081 240 HOH WAT A . G 6 HOH 181 1082 241 HOH WAT A . G 6 HOH 182 1083 243 HOH WAT A . G 6 HOH 183 1084 244 HOH WAT A . G 6 HOH 184 1085 245 HOH WAT A . G 6 HOH 185 1086 246 HOH WAT A . G 6 HOH 186 1087 251 HOH WAT A . G 6 HOH 187 1088 252 HOH WAT A . G 6 HOH 188 1089 253 HOH WAT A . G 6 HOH 189 1090 254 HOH WAT A . H 6 HOH 1 100 4 HOH WAT B . H 6 HOH 2 101 7 HOH WAT B . H 6 HOH 3 102 8 HOH WAT B . H 6 HOH 4 103 13 HOH WAT B . H 6 HOH 5 104 18 HOH WAT B . H 6 HOH 6 105 28 HOH WAT B . H 6 HOH 7 106 29 HOH WAT B . H 6 HOH 8 107 36 HOH WAT B . H 6 HOH 9 108 39 HOH WAT B . H 6 HOH 10 109 40 HOH WAT B . H 6 HOH 11 110 42 HOH WAT B . H 6 HOH 12 111 52 HOH WAT B . H 6 HOH 13 112 55 HOH WAT B . H 6 HOH 14 113 60 HOH WAT B . H 6 HOH 15 114 68 HOH WAT B . H 6 HOH 16 115 69 HOH WAT B . H 6 HOH 17 116 70 HOH WAT B . H 6 HOH 18 117 71 HOH WAT B . H 6 HOH 19 118 81 HOH WAT B . H 6 HOH 20 119 85 HOH WAT B . H 6 HOH 21 120 91 HOH WAT B . H 6 HOH 22 121 93 HOH WAT B . H 6 HOH 23 122 95 HOH WAT B . H 6 HOH 24 123 97 HOH WAT B . H 6 HOH 25 124 104 HOH WAT B . H 6 HOH 26 125 106 HOH WAT B . H 6 HOH 27 126 112 HOH WAT B . H 6 HOH 28 127 116 HOH WAT B . H 6 HOH 29 128 125 HOH WAT B . H 6 HOH 30 129 135 HOH WAT B . H 6 HOH 31 130 136 HOH WAT B . H 6 HOH 32 131 140 HOH WAT B . H 6 HOH 33 132 153 HOH WAT B . H 6 HOH 34 133 160 HOH WAT B . H 6 HOH 35 134 163 HOH WAT B . H 6 HOH 36 135 167 HOH WAT B . H 6 HOH 37 136 168 HOH WAT B . H 6 HOH 38 137 169 HOH WAT B . H 6 HOH 39 138 170 HOH WAT B . H 6 HOH 40 139 172 HOH WAT B . H 6 HOH 41 140 173 HOH WAT B . H 6 HOH 42 141 174 HOH WAT B . H 6 HOH 43 142 175 HOH WAT B . H 6 HOH 44 143 177 HOH WAT B . H 6 HOH 45 144 178 HOH WAT B . H 6 HOH 46 145 179 HOH WAT B . H 6 HOH 47 146 180 HOH WAT B . H 6 HOH 48 147 183 HOH WAT B . H 6 HOH 49 148 186 HOH WAT B . H 6 HOH 50 149 199 HOH WAT B . H 6 HOH 51 150 200 HOH WAT B . H 6 HOH 52 151 202 HOH WAT B . H 6 HOH 53 152 208 HOH WAT B . H 6 HOH 54 153 222 HOH WAT B . H 6 HOH 55 154 225 HOH WAT B . H 6 HOH 56 155 238 HOH WAT B . H 6 HOH 57 156 242 HOH WAT B . H 6 HOH 58 157 247 HOH WAT B . H 6 HOH 59 158 249 HOH WAT B . H 6 HOH 60 159 250 HOH WAT B . H 6 HOH 61 160 255 HOH WAT B . I 6 HOH 1 9 3 HOH WAT P . I 6 HOH 2 10 75 HOH WAT P . I 6 HOH 3 11 203 HOH WAT P . I 6 HOH 4 12 228 HOH WAT P . I 6 HOH 5 13 248 HOH WAT P . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 86 A ASN 86 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 176 A ASN 176 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 4880 ? 1 MORE -11 ? 1 'SSA (A^2)' 18790 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2004-12-14 2 'Structure model' 1 1 2008-04-29 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.1 ? 1 HKL-2000 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 CNS phasing 1.1 ? 4 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ARG A 14 ? ? -153.36 75.84 2 1 ASP A 29 ? ? 59.11 -127.33 3 1 GLN A 114 ? ? -162.63 110.18 4 1 TYR A 123 ? ? -117.81 -73.88 5 1 GLU A 196 ? ? 80.27 35.59 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 BETA-L-FUCOSE FUL 6 water HOH #