data_1RK0 # _entry.id 1RK0 # _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 1RK0 RCSB RCSB020822 WWPDB D_1000020822 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1RK0 _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 1RK0 _cell.length_a 134.890 _cell.length_b 90.222 _cell.length_c 45.451 _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 1RK0 _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' 923.046 1 ? ? ? ? 4 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 1 ? ? ? ? 5 water nat water 18.015 161 ? ? ? ? # _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 SSIEFARL SSIEFARL 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 SER 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' # 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_HHV1F 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 1RK0 A 1 ? 274 ? P01901 22 ? 295 ? 1 274 2 2 1RK0 B 1 ? 99 ? P01887 21 ? 119 ? 1 99 3 3 1RK0 P 1 ? 8 ? P06436 498 ? 505 ? 1 8 # 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 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 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? '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 1RK0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 60.60 _exptl_crystal.description ? _exptl_crystal.density_Matthews 3.12 _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 1RK0 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.1 _reflns.number_obs 17348 _reflns.number_all 17348 _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.07 _reflns.pdbx_netI_over_sigmaI 27.3 _reflns.B_iso_Wilson_estimate 27.6 _reflns.pdbx_redundancy 7.0 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 2.1 _reflns_shell.d_res_low 2.17 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.354 _reflns_shell.meanI_over_sigI_obs 5.23 _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_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 1RK0 _refine.ls_number_reflns_obs 16448 _refine.ls_number_reflns_all 16448 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 344276.08 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.98 _refine.ls_d_res_high 2.61 _refine.ls_percent_reflns_obs 93.7 _refine.ls_R_factor_obs 0.199 _refine.ls_R_factor_all 0.199 _refine.ls_R_factor_R_work 0.199 _refine.ls_R_factor_R_free 0.238 _refine.ls_R_factor_R_free_error 0.008 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 796 _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 35.0 _refine.aniso_B[1][1] -7.56 _refine.aniso_B[2][2] 14.79 _refine.aniso_B[3][3] -7.23 _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 0.321397 _refine.solvent_model_param_bsol 24.4381 _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 'Engh & Huber' _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 1RK0 _refine_analyze.Luzzati_coordinate_error_obs 0.30 _refine_analyze.Luzzati_sigma_a_obs 0.23 _refine_analyze.Luzzati_d_res_low_obs 20.00 _refine_analyze.Luzzati_coordinate_error_free 0.39 _refine_analyze.Luzzati_sigma_a_free 0.32 _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 3118 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 161 _refine_hist.number_atoms_total 3293 _refine_hist.d_res_high 2.61 _refine_hist.d_res_low 19.98 # 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 0.007 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 25.2 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 0.78 ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.51 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 2.65 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 2.32 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 3.65 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.60 _refine_ls_shell.d_res_low 2.76 _refine_ls_shell.number_reflns_R_work 2201 _refine_ls_shell.R_factor_R_work 0.265 _refine_ls_shell.percent_reflns_obs 79.8 _refine_ls_shell.R_factor_R_free 0.351 _refine_ls_shell.R_factor_R_free_error 0.034 _refine_ls_shell.percent_reflns_R_free 4.6 _refine_ls_shell.number_reflns_R_free 106 _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 WATER_REP.PARAM CARBOHYDRATE.TOP 'X-RAY DIFFRACTION' 3 CARBOHYDRATE.PARAM WATER.TOP 'X-RAY DIFFRACTION' # _struct.entry_id 1RK0 _struct.title 'Mhc Class I H-2Kb Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus 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 1RK0 _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 5 ? F N N 5 ? G N N 5 ? # _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 ? TYR A 85 ? GLY A 56 TYR A 85 1 ? 30 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 ? ? ? ? ? ? ? 2.062 ? disulf2 disulf ? ? A CYS 203 SG ? ? ? 1_555 A CYS 259 SG ? ? A CYS 203 A CYS 259 1_555 ? ? ? ? ? ? ? 2.023 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.033 ? covale1 covale ? ? A ASN 86 ND2 ? ? ? 1_555 D NDG . C1 ? ? A ASN 86 A NDG 801 1_555 ? ? ? ? ? ? ? 1.455 ? # 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 0.08 2 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 -0.55 # 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 TYR A 27 ? O TYR A 27 N ARG A 6 ? N ARG A 6 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 118 ? N TYR A 118 O CYS A 121 ? O CYS A 121 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 CYS A 203 ? N CYS A 203 O ALA A 245 ? O ALA A 245 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 CYS A 203 ? N CYS A 203 O ALA A 245 ? O ALA A 245 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 214 ? N THR A 214 O TYR A 262 ? O TYR A 262 D 3 4 N CYS A 259 ? N CYS A 259 O LEU A 272 ? O LEU A 272 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N LEU B 23 ? N LEU B 23 O THR B 68 ? O THR B 68 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 GLN B 38 ? N GLN B 38 O ARG B 81 ? O ARG B 81 F 3 4 N VAL B 82 ? N VAL B 82 O LYS B 91 ? O LYS B 91 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 2 _struct_site.details 'BINDING SITE FOR RESIDUE NDG A 801' # 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 ASN A 86 ? ASN A 86 . ? 1_555 ? 2 AC1 2 HOH E . ? HOH A 888 . ? 1_555 ? # _database_PDB_matrix.entry_id 1RK0 _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 1RK0 _atom_sites.fract_transf_matrix[1][1] 0.007413 _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] 0.011084 _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] 0.022002 _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 ? 66.033 46.678 5.246 1.00 32.66 ? 1 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 65.774 46.601 3.774 1.00 32.42 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 64.670 47.542 3.325 1.00 31.52 ? 1 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 64.314 48.474 4.046 1.00 31.73 ? 1 GLY A O 1 ATOM 5 N N . PRO A 1 2 ? 64.097 47.320 2.132 1.00 30.58 ? 2 PRO A N 1 ATOM 6 C CA . PRO A 1 2 ? 63.026 48.186 1.629 1.00 28.33 ? 2 PRO A CA 1 ATOM 7 C C . PRO A 1 2 ? 61.698 47.993 2.368 1.00 27.39 ? 2 PRO A C 1 ATOM 8 O O . PRO A 1 2 ? 61.414 46.921 2.907 1.00 25.75 ? 2 PRO A O 1 ATOM 9 C CB . PRO A 1 2 ? 62.936 47.789 0.159 1.00 29.00 ? 2 PRO A CB 1 ATOM 10 C CG . PRO A 1 2 ? 63.215 46.312 0.217 1.00 28.80 ? 2 PRO A CG 1 ATOM 11 C CD . PRO A 1 2 ? 64.405 46.249 1.166 1.00 29.46 ? 2 PRO A CD 1 ATOM 12 N N . HIS A 1 3 ? 60.894 49.051 2.389 1.00 26.59 ? 3 HIS A N 1 ATOM 13 C CA . HIS A 1 3 ? 59.592 49.029 3.040 1.00 24.85 ? 3 HIS A CA 1 ATOM 14 C C . HIS A 1 3 ? 58.573 49.697 2.130 1.00 23.75 ? 3 HIS A C 1 ATOM 15 O O . HIS A 1 3 ? 58.935 50.506 1.273 1.00 23.08 ? 3 HIS A O 1 ATOM 16 C CB . HIS A 1 3 ? 59.660 49.751 4.380 1.00 25.17 ? 3 HIS A CB 1 ATOM 17 C CG . HIS A 1 3 ? 60.491 49.037 5.399 1.00 27.72 ? 3 HIS A CG 1 ATOM 18 N ND1 . HIS A 1 3 ? 60.099 47.852 5.979 1.00 27.81 ? 3 HIS A ND1 1 ATOM 19 C CD2 . HIS A 1 3 ? 61.707 49.331 5.919 1.00 27.71 ? 3 HIS A CD2 1 ATOM 20 C CE1 . HIS A 1 3 ? 61.039 47.440 6.815 1.00 28.58 ? 3 HIS A CE1 1 ATOM 21 N NE2 . HIS A 1 3 ? 62.024 48.323 6.794 1.00 30.80 ? 3 HIS A NE2 1 ATOM 22 N N . SER A 1 4 ? 57.300 49.367 2.322 1.00 22.12 ? 4 SER A N 1 ATOM 23 C CA . SER A 1 4 ? 56.257 49.928 1.475 1.00 21.85 ? 4 SER A CA 1 ATOM 24 C C . SER A 1 4 ? 54.963 50.317 2.186 1.00 19.83 ? 4 SER A C 1 ATOM 25 O O . SER A 1 4 ? 54.662 49.847 3.277 1.00 19.78 ? 4 SER A O 1 ATOM 26 C CB . SER A 1 4 ? 55.935 48.937 0.361 1.00 20.28 ? 4 SER A CB 1 ATOM 27 O OG . SER A 1 4 ? 55.386 47.758 0.914 1.00 22.38 ? 4 SER A OG 1 ATOM 28 N N . LEU A 1 5 ? 54.203 51.184 1.534 1.00 18.33 ? 5 LEU A N 1 ATOM 29 C CA . LEU A 1 5 ? 52.926 51.660 2.042 1.00 18.20 ? 5 LEU A CA 1 ATOM 30 C C . LEU A 1 5 ? 51.928 51.411 0.918 1.00 18.84 ? 5 LEU A C 1 ATOM 31 O O . LEU A 1 5 ? 52.091 51.932 -0.189 1.00 18.91 ? 5 LEU A O 1 ATOM 32 C CB . LEU A 1 5 ? 53.012 53.158 2.363 1.00 17.03 ? 5 LEU A CB 1 ATOM 33 C CG . LEU A 1 5 ? 51.716 53.898 2.693 1.00 16.59 ? 5 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 5 ? 51.006 53.221 3.855 1.00 15.07 ? 5 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 5 ? 52.033 55.346 3.022 1.00 13.94 ? 5 LEU A CD2 1 ATOM 36 N N . ARG A 1 6 ? 50.906 50.605 1.188 1.00 18.70 ? 6 ARG A N 1 ATOM 37 C CA . ARG A 1 6 ? 49.920 50.297 0.158 1.00 19.83 ? 6 ARG A CA 1 ATOM 38 C C . ARG A 1 6 ? 48.469 50.492 0.587 1.00 19.38 ? 6 ARG A C 1 ATOM 39 O O . ARG A 1 6 ? 48.088 50.239 1.732 1.00 18.42 ? 6 ARG A O 1 ATOM 40 C CB . ARG A 1 6 ? 50.098 48.853 -0.334 1.00 20.58 ? 6 ARG A CB 1 ATOM 41 C CG . ARG A 1 6 ? 51.451 48.552 -0.963 1.00 24.31 ? 6 ARG A CG 1 ATOM 42 C CD . ARG A 1 6 ? 51.570 47.074 -1.288 1.00 27.40 ? 6 ARG A CD 1 ATOM 43 N NE . ARG A 1 6 ? 51.480 46.259 -0.079 1.00 31.96 ? 6 ARG A NE 1 ATOM 44 C CZ . ARG A 1 6 ? 51.241 44.950 -0.063 1.00 34.02 ? 6 ARG A CZ 1 ATOM 45 N NH1 . ARG A 1 6 ? 51.062 44.285 -1.203 1.00 33.97 ? 6 ARG A NH1 1 ATOM 46 N NH2 . ARG A 1 6 ? 51.170 44.305 1.100 1.00 33.87 ? 6 ARG A NH2 1 ATOM 47 N N . TYR A 1 7 ? 47.661 50.944 -0.357 1.00 18.24 ? 7 TYR A N 1 ATOM 48 C CA . TYR A 1 7 ? 46.250 51.133 -0.104 1.00 17.49 ? 7 TYR A CA 1 ATOM 49 C C . TYR A 1 7 ? 45.476 50.368 -1.165 1.00 17.30 ? 7 TYR A C 1 ATOM 50 O O . TYR A 1 7 ? 45.679 50.577 -2.364 1.00 17.27 ? 7 TYR A O 1 ATOM 51 C CB . TYR A 1 7 ? 45.887 52.616 -0.165 1.00 16.45 ? 7 TYR A CB 1 ATOM 52 C CG . TYR A 1 7 ? 46.400 53.403 1.011 1.00 15.16 ? 7 TYR A CG 1 ATOM 53 C CD1 . TYR A 1 7 ? 45.801 53.291 2.260 1.00 16.37 ? 7 TYR A CD1 1 ATOM 54 C CD2 . TYR A 1 7 ? 47.501 54.245 0.883 1.00 15.10 ? 7 TYR A CD2 1 ATOM 55 C CE1 . TYR A 1 7 ? 46.296 53.994 3.358 1.00 15.20 ? 7 TYR A CE1 1 ATOM 56 C CE2 . TYR A 1 7 ? 48.002 54.952 1.971 1.00 12.54 ? 7 TYR A CE2 1 ATOM 57 C CZ . TYR A 1 7 ? 47.393 54.824 3.198 1.00 13.41 ? 7 TYR A CZ 1 ATOM 58 O OH . TYR A 1 7 ? 47.879 55.525 4.267 1.00 14.18 ? 7 TYR A OH 1 ATOM 59 N N . PHE A 1 8 ? 44.629 49.447 -0.721 1.00 15.63 ? 8 PHE A N 1 ATOM 60 C CA . PHE A 1 8 ? 43.794 48.696 -1.639 1.00 14.92 ? 8 PHE A CA 1 ATOM 61 C C . PHE A 1 8 ? 42.442 49.361 -1.538 1.00 14.06 ? 8 PHE A C 1 ATOM 62 O O . PHE A 1 8 ? 41.868 49.429 -0.460 1.00 14.33 ? 8 PHE A O 1 ATOM 63 C CB . PHE A 1 8 ? 43.693 47.234 -1.221 1.00 15.24 ? 8 PHE A CB 1 ATOM 64 C CG . PHE A 1 8 ? 44.972 46.490 -1.368 1.00 17.90 ? 8 PHE A CG 1 ATOM 65 C CD1 . PHE A 1 8 ? 45.994 46.658 -0.443 1.00 16.68 ? 8 PHE A CD1 1 ATOM 66 C CD2 . PHE A 1 8 ? 45.182 45.655 -2.464 1.00 18.96 ? 8 PHE A CD2 1 ATOM 67 C CE1 . PHE A 1 8 ? 47.205 46.004 -0.602 1.00 18.27 ? 8 PHE A CE1 1 ATOM 68 C CE2 . PHE A 1 8 ? 46.393 44.995 -2.636 1.00 16.84 ? 8 PHE A CE2 1 ATOM 69 C CZ . PHE A 1 8 ? 47.409 45.173 -1.698 1.00 18.50 ? 8 PHE A CZ 1 ATOM 70 N N . VAL A 1 9 ? 41.945 49.864 -2.658 1.00 13.67 ? 9 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 40.665 50.550 -2.667 1.00 14.23 ? 9 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 39.653 49.846 -3.544 1.00 15.27 ? 9 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 39.940 49.483 -4.678 1.00 16.29 ? 9 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 40.843 52.014 -3.124 1.00 14.09 ? 9 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 39.510 52.716 -3.167 1.00 11.63 ? 9 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 41.791 52.731 -2.159 1.00 11.24 ? 9 VAL A CG2 1 ATOM 77 N N . THR A 1 10 ? 38.456 49.662 -3.004 1.00 17.68 ? 10 THR A N 1 ATOM 78 C CA . THR A 1 10 ? 37.402 48.967 -3.719 1.00 19.78 ? 10 THR A CA 1 ATOM 79 C C . THR A 1 10 ? 36.073 49.689 -3.605 1.00 20.51 ? 10 THR A C 1 ATOM 80 O O . THR A 1 10 ? 35.710 50.187 -2.540 1.00 20.70 ? 10 THR A O 1 ATOM 81 C CB . THR A 1 10 ? 37.214 47.541 -3.157 1.00 20.18 ? 10 THR A CB 1 ATOM 82 O OG1 . THR A 1 10 ? 38.490 46.909 -3.028 1.00 24.97 ? 10 THR A OG1 1 ATOM 83 C CG2 . THR A 1 10 ? 36.355 46.709 -4.086 1.00 19.77 ? 10 THR A CG2 1 ATOM 84 N N . ALA A 1 11 ? 35.358 49.737 -4.721 1.00 20.69 ? 11 ALA A N 1 ATOM 85 C CA . ALA A 1 11 ? 34.043 50.354 -4.795 1.00 20.56 ? 11 ALA A CA 1 ATOM 86 C C . ALA A 1 11 ? 33.224 49.344 -5.592 1.00 22.07 ? 11 ALA A C 1 ATOM 87 O O . ALA A 1 11 ? 33.581 49.003 -6.724 1.00 23.15 ? 11 ALA A O 1 ATOM 88 C CB . ALA A 1 11 ? 34.118 51.698 -5.530 1.00 16.31 ? 11 ALA A CB 1 ATOM 89 N N . VAL A 1 12 ? 32.152 48.837 -4.988 1.00 23.36 ? 12 VAL A N 1 ATOM 90 C CA . VAL A 1 12 ? 31.295 47.850 -5.647 1.00 24.54 ? 12 VAL A CA 1 ATOM 91 C C . VAL A 1 12 ? 29.855 48.332 -5.657 1.00 24.87 ? 12 VAL A C 1 ATOM 92 O O . VAL A 1 12 ? 29.267 48.548 -4.599 1.00 24.08 ? 12 VAL A O 1 ATOM 93 C CB . VAL A 1 12 ? 31.323 46.483 -4.913 1.00 25.46 ? 12 VAL A CB 1 ATOM 94 C CG1 . VAL A 1 12 ? 30.598 45.438 -5.739 1.00 24.54 ? 12 VAL A CG1 1 ATOM 95 C CG2 . VAL A 1 12 ? 32.748 46.060 -4.640 1.00 25.69 ? 12 VAL A CG2 1 ATOM 96 N N . SER A 1 13 ? 29.279 48.496 -6.843 1.00 26.58 ? 13 SER A N 1 ATOM 97 C CA . SER A 1 13 ? 27.893 48.952 -6.925 1.00 29.67 ? 13 SER A CA 1 ATOM 98 C C . SER A 1 13 ? 26.929 47.793 -6.689 1.00 31.82 ? 13 SER A C 1 ATOM 99 O O . SER A 1 13 ? 27.276 46.622 -6.839 1.00 31.94 ? 13 SER A O 1 ATOM 100 C CB . SER A 1 13 ? 27.603 49.598 -8.283 1.00 29.34 ? 13 SER A CB 1 ATOM 101 O OG . SER A 1 13 ? 27.612 48.633 -9.319 1.00 29.35 ? 13 SER A OG 1 ATOM 102 N N . ARG A 1 14 ? 25.707 48.132 -6.312 1.00 35.10 ? 14 ARG A N 1 ATOM 103 C CA . ARG A 1 14 ? 24.693 47.131 -6.036 1.00 38.04 ? 14 ARG A CA 1 ATOM 104 C C . ARG A 1 14 ? 23.319 47.756 -6.239 1.00 39.68 ? 14 ARG A C 1 ATOM 105 O O . ARG A 1 14 ? 22.618 48.087 -5.279 1.00 39.68 ? 14 ARG A O 1 ATOM 106 C CB . ARG A 1 14 ? 24.856 46.641 -4.604 1.00 38.51 ? 14 ARG A CB 1 ATOM 107 C CG . ARG A 1 14 ? 25.224 47.761 -3.664 1.00 38.39 ? 14 ARG A CG 1 ATOM 108 C CD . ARG A 1 14 ? 25.615 47.243 -2.307 1.00 41.31 ? 14 ARG A CD 1 ATOM 109 N NE . ARG A 1 14 ? 25.990 48.342 -1.428 1.00 40.77 ? 14 ARG A NE 1 ATOM 110 C CZ . ARG A 1 14 ? 26.426 48.188 -0.187 1.00 40.44 ? 14 ARG A CZ 1 ATOM 111 N NH1 . ARG A 1 14 ? 26.548 46.973 0.333 1.00 38.24 ? 14 ARG A NH1 1 ATOM 112 N NH2 . ARG A 1 14 ? 26.733 49.257 0.533 1.00 42.97 ? 14 ARG A NH2 1 ATOM 113 N N . PRO A 1 15 ? 22.917 47.924 -7.505 1.00 41.28 ? 15 PRO A N 1 ATOM 114 C CA . PRO A 1 15 ? 21.624 48.512 -7.868 1.00 42.14 ? 15 PRO A CA 1 ATOM 115 C C . PRO A 1 15 ? 20.437 47.858 -7.173 1.00 42.30 ? 15 PRO A C 1 ATOM 116 O O . PRO A 1 15 ? 20.338 46.632 -7.105 1.00 43.03 ? 15 PRO A O 1 ATOM 117 C CB . PRO A 1 15 ? 21.581 48.331 -9.383 1.00 43.36 ? 15 PRO A CB 1 ATOM 118 C CG . PRO A 1 15 ? 22.400 47.080 -9.595 1.00 42.86 ? 15 PRO A CG 1 ATOM 119 C CD . PRO A 1 15 ? 23.577 47.349 -8.690 1.00 41.61 ? 15 PRO A CD 1 ATOM 120 N N . GLY A 1 16 ? 19.535 48.687 -6.662 1.00 42.33 ? 16 GLY A N 1 ATOM 121 C CA . GLY A 1 16 ? 18.361 48.174 -5.987 1.00 42.12 ? 16 GLY A CA 1 ATOM 122 C C . GLY A 1 16 ? 18.584 47.957 -4.506 1.00 42.99 ? 16 GLY A C 1 ATOM 123 O O . GLY A 1 16 ? 17.632 47.786 -3.748 1.00 44.17 ? 16 GLY A O 1 ATOM 124 N N . LEU A 1 17 ? 19.842 47.973 -4.083 1.00 43.40 ? 17 LEU A N 1 ATOM 125 C CA . LEU A 1 17 ? 20.159 47.760 -2.676 1.00 42.62 ? 17 LEU A CA 1 ATOM 126 C C . LEU A 1 17 ? 20.827 48.970 -2.037 1.00 42.11 ? 17 LEU A C 1 ATOM 127 O O . LEU A 1 17 ? 21.317 48.889 -0.914 1.00 42.59 ? 17 LEU A O 1 ATOM 128 C CB . LEU A 1 17 ? 21.054 46.526 -2.527 1.00 43.18 ? 17 LEU A CB 1 ATOM 129 C CG . LEU A 1 17 ? 20.491 45.242 -3.144 1.00 43.64 ? 17 LEU A CG 1 ATOM 130 C CD1 . LEU A 1 17 ? 21.533 44.150 -3.091 1.00 44.40 ? 17 LEU A CD1 1 ATOM 131 C CD2 . LEU A 1 17 ? 19.228 44.821 -2.403 1.00 45.38 ? 17 LEU A CD2 1 ATOM 132 N N . GLY A 1 18 ? 20.852 50.091 -2.750 1.00 41.58 ? 18 GLY A N 1 ATOM 133 C CA . GLY A 1 18 ? 21.454 51.286 -2.190 1.00 41.09 ? 18 GLY A CA 1 ATOM 134 C C . GLY A 1 18 ? 22.716 51.769 -2.877 1.00 41.79 ? 18 GLY A C 1 ATOM 135 O O . GLY A 1 18 ? 22.973 51.453 -4.044 1.00 41.71 ? 18 GLY A O 1 ATOM 136 N N . GLU A 1 19 ? 23.505 52.545 -2.139 1.00 40.87 ? 19 GLU A N 1 ATOM 137 C CA . GLU A 1 19 ? 24.747 53.104 -2.652 1.00 40.63 ? 19 GLU A CA 1 ATOM 138 C C . GLU A 1 19 ? 25.879 52.076 -2.654 1.00 37.17 ? 19 GLU A C 1 ATOM 139 O O . GLU A 1 19 ? 25.875 51.127 -1.866 1.00 35.58 ? 19 GLU A O 1 ATOM 140 C CB . GLU A 1 19 ? 25.155 54.321 -1.814 1.00 43.83 ? 19 GLU A CB 1 ATOM 141 C CG . GLU A 1 19 ? 24.071 55.382 -1.683 1.00 52.50 ? 19 GLU A CG 1 ATOM 142 C CD . GLU A 1 19 ? 24.498 56.558 -0.806 1.00 58.43 ? 19 GLU A CD 1 ATOM 143 O OE1 . GLU A 1 19 ? 25.150 56.314 0.240 1.00 62.28 ? 19 GLU A OE1 1 ATOM 144 O OE2 . GLU A 1 19 ? 24.172 57.720 -1.151 1.00 59.82 ? 19 GLU A OE2 1 ATOM 145 N N . PRO A 1 20 ? 26.866 52.259 -3.550 1.00 34.64 ? 20 PRO A N 1 ATOM 146 C CA . PRO A 1 20 ? 28.019 51.358 -3.671 1.00 31.99 ? 20 PRO A CA 1 ATOM 147 C C . PRO A 1 20 ? 28.808 51.227 -2.372 1.00 30.67 ? 20 PRO A C 1 ATOM 148 O O . PRO A 1 20 ? 28.966 52.201 -1.629 1.00 29.68 ? 20 PRO A O 1 ATOM 149 C CB . PRO A 1 20 ? 28.857 52.010 -4.770 1.00 31.53 ? 20 PRO A CB 1 ATOM 150 C CG . PRO A 1 20 ? 27.829 52.703 -5.620 1.00 32.96 ? 20 PRO A CG 1 ATOM 151 C CD . PRO A 1 20 ? 26.901 53.302 -4.594 1.00 32.70 ? 20 PRO A CD 1 ATOM 152 N N . ARG A 1 21 ? 29.293 50.017 -2.104 1.00 29.53 ? 21 ARG A N 1 ATOM 153 C CA . ARG A 1 21 ? 30.099 49.760 -0.920 1.00 26.90 ? 21 ARG A CA 1 ATOM 154 C C . ARG A 1 21 ? 31.501 50.269 -1.240 1.00 25.72 ? 21 ARG A C 1 ATOM 155 O O . ARG A 1 21 ? 32.020 50.026 -2.331 1.00 25.22 ? 21 ARG A O 1 ATOM 156 C CB . ARG A 1 21 ? 30.157 48.263 -0.613 1.00 27.26 ? 21 ARG A CB 1 ATOM 157 C CG . ARG A 1 21 ? 30.876 47.968 0.689 1.00 25.82 ? 21 ARG A CG 1 ATOM 158 C CD . ARG A 1 21 ? 30.870 46.497 1.033 1.00 26.11 ? 21 ARG A CD 1 ATOM 159 N NE . ARG A 1 21 ? 31.355 46.298 2.396 1.00 26.98 ? 21 ARG A NE 1 ATOM 160 C CZ . ARG A 1 21 ? 31.589 45.115 2.955 1.00 26.89 ? 21 ARG A CZ 1 ATOM 161 N NH1 . ARG A 1 21 ? 31.388 43.993 2.274 1.00 27.86 ? 21 ARG A NH1 1 ATOM 162 N NH2 . ARG A 1 21 ? 32.026 45.054 4.204 1.00 25.88 ? 21 ARG A NH2 1 ATOM 163 N N . TYR A 1 22 ? 32.108 50.981 -0.301 1.00 22.46 ? 22 TYR A N 1 ATOM 164 C CA . TYR A 1 22 ? 33.436 51.521 -0.523 1.00 22.10 ? 22 TYR A CA 1 ATOM 165 C C . TYR A 1 22 ? 34.371 51.095 0.592 1.00 22.57 ? 22 TYR A C 1 ATOM 166 O O . TYR A 1 22 ? 34.034 51.211 1.770 1.00 19.57 ? 22 TYR A O 1 ATOM 167 C CB . TYR A 1 22 ? 33.383 53.047 -0.586 1.00 23.16 ? 22 TYR A CB 1 ATOM 168 C CG . TYR A 1 22 ? 34.736 53.678 -0.779 1.00 23.17 ? 22 TYR A CG 1 ATOM 169 C CD1 . TYR A 1 22 ? 35.264 53.869 -2.058 1.00 24.75 ? 22 TYR A CD1 1 ATOM 170 C CD2 . TYR A 1 22 ? 35.511 54.043 0.317 1.00 22.75 ? 22 TYR A CD2 1 ATOM 171 C CE1 . TYR A 1 22 ? 36.536 54.404 -2.240 1.00 24.25 ? 22 TYR A CE1 1 ATOM 172 C CE2 . TYR A 1 22 ? 36.781 54.575 0.152 1.00 24.88 ? 22 TYR A CE2 1 ATOM 173 C CZ . TYR A 1 22 ? 37.289 54.753 -1.126 1.00 25.84 ? 22 TYR A CZ 1 ATOM 174 O OH . TYR A 1 22 ? 38.558 55.256 -1.280 1.00 26.44 ? 22 TYR A OH 1 ATOM 175 N N . MET A 1 23 ? 35.555 50.619 0.221 1.00 23.80 ? 23 MET A N 1 ATOM 176 C CA . MET A 1 23 ? 36.522 50.174 1.213 1.00 25.56 ? 23 MET A CA 1 ATOM 177 C C . MET A 1 23 ? 37.943 50.625 0.948 1.00 26.37 ? 23 MET A C 1 ATOM 178 O O . MET A 1 23 ? 38.409 50.649 -0.191 1.00 27.48 ? 23 MET A O 1 ATOM 179 C CB . MET A 1 23 ? 36.523 48.660 1.312 1.00 27.59 ? 23 MET A CB 1 ATOM 180 C CG . MET A 1 23 ? 35.227 48.069 1.772 1.00 32.82 ? 23 MET A CG 1 ATOM 181 S SD . MET A 1 23 ? 35.432 46.290 1.960 1.00 42.07 ? 23 MET A SD 1 ATOM 182 C CE . MET A 1 23 ? 36.352 46.189 3.559 1.00 35.23 ? 23 MET A CE 1 ATOM 183 N N . GLU A 1 24 ? 38.628 50.977 2.026 1.00 25.53 ? 24 GLU A N 1 ATOM 184 C CA . GLU A 1 24 ? 40.009 51.400 1.955 1.00 24.47 ? 24 GLU A CA 1 ATOM 185 C C . GLU A 1 24 ? 40.757 50.618 3.009 1.00 23.95 ? 24 GLU A C 1 ATOM 186 O O . GLU A 1 24 ? 40.435 50.708 4.191 1.00 23.24 ? 24 GLU A O 1 ATOM 187 C CB . GLU A 1 24 ? 40.146 52.885 2.264 1.00 25.63 ? 24 GLU A CB 1 ATOM 188 C CG . GLU A 1 24 ? 40.280 53.762 1.052 1.00 31.41 ? 24 GLU A CG 1 ATOM 189 C CD . GLU A 1 24 ? 40.511 55.220 1.412 1.00 33.16 ? 24 GLU A CD 1 ATOM 190 O OE1 . GLU A 1 24 ? 41.429 55.497 2.223 1.00 32.73 ? 24 GLU A OE1 1 ATOM 191 O OE2 . GLU A 1 24 ? 39.779 56.082 0.874 1.00 32.14 ? 24 GLU A OE2 1 ATOM 192 N N . VAL A 1 25 ? 41.740 49.834 2.583 1.00 21.90 ? 25 VAL A N 1 ATOM 193 C CA . VAL A 1 25 ? 42.542 49.084 3.527 1.00 20.03 ? 25 VAL A CA 1 ATOM 194 C C . VAL A 1 25 ? 43.988 49.446 3.273 1.00 19.58 ? 25 VAL A C 1 ATOM 195 O O . VAL A 1 25 ? 44.460 49.386 2.133 1.00 18.16 ? 25 VAL A O 1 ATOM 196 C CB . VAL A 1 25 ? 42.354 47.581 3.365 1.00 20.50 ? 25 VAL A CB 1 ATOM 197 C CG1 . VAL A 1 25 ? 43.222 46.851 4.383 1.00 19.79 ? 25 VAL A CG1 1 ATOM 198 C CG2 . VAL A 1 25 ? 40.889 47.225 3.568 1.00 20.92 ? 25 VAL A CG2 1 ATOM 199 N N . GLY A 1 26 ? 44.680 49.833 4.343 1.00 18.22 ? 26 GLY A N 1 ATOM 200 C CA . GLY A 1 26 ? 46.071 50.226 4.228 1.00 17.42 ? 26 GLY A CA 1 ATOM 201 C C . GLY A 1 26 ? 47.072 49.293 4.883 1.00 17.18 ? 26 GLY A C 1 ATOM 202 O O . GLY A 1 26 ? 46.813 48.725 5.942 1.00 16.37 ? 26 GLY A O 1 ATOM 203 N N . TYR A 1 27 ? 48.230 49.143 4.247 1.00 16.56 ? 27 TYR A N 1 ATOM 204 C CA . TYR A 1 27 ? 49.289 48.288 4.775 1.00 17.82 ? 27 TYR A CA 1 ATOM 205 C C . TYR A 1 27 ? 50.660 48.937 4.736 1.00 17.52 ? 27 TYR A C 1 ATOM 206 O O . TYR A 1 27 ? 50.983 49.697 3.822 1.00 16.80 ? 27 TYR A O 1 ATOM 207 C CB . TYR A 1 27 ? 49.440 46.987 3.976 1.00 16.98 ? 27 TYR A CB 1 ATOM 208 C CG . TYR A 1 27 ? 48.306 46.011 4.047 1.00 17.97 ? 27 TYR A CG 1 ATOM 209 C CD1 . TYR A 1 27 ? 47.175 46.170 3.246 1.00 18.96 ? 27 TYR A CD1 1 ATOM 210 C CD2 . TYR A 1 27 ? 48.383 44.894 4.875 1.00 18.61 ? 27 TYR A CD2 1 ATOM 211 C CE1 . TYR A 1 27 ? 46.158 45.241 3.259 1.00 18.70 ? 27 TYR A CE1 1 ATOM 212 C CE2 . TYR A 1 27 ? 47.364 43.954 4.904 1.00 20.75 ? 27 TYR A CE2 1 ATOM 213 C CZ . TYR A 1 27 ? 46.256 44.132 4.092 1.00 21.00 ? 27 TYR A CZ 1 ATOM 214 O OH . TYR A 1 27 ? 45.242 43.210 4.120 1.00 23.56 ? 27 TYR A OH 1 ATOM 215 N N . VAL A 1 28 ? 51.463 48.607 5.736 1.00 18.23 ? 28 VAL A N 1 ATOM 216 C CA . VAL A 1 28 ? 52.849 49.036 5.792 1.00 18.91 ? 28 VAL A CA 1 ATOM 217 C C . VAL A 1 28 ? 53.514 47.652 5.733 1.00 20.45 ? 28 VAL A C 1 ATOM 218 O O . VAL A 1 28 ? 53.475 46.878 6.701 1.00 18.34 ? 28 VAL A O 1 ATOM 219 C CB . VAL A 1 28 ? 53.176 49.771 7.102 1.00 18.19 ? 28 VAL A CB 1 ATOM 220 C CG1 . VAL A 1 28 ? 54.671 50.020 7.188 1.00 19.62 ? 28 VAL A CG1 1 ATOM 221 C CG2 . VAL A 1 28 ? 52.443 51.108 7.139 1.00 19.48 ? 28 VAL A CG2 1 ATOM 222 N N . ASP A 1 29 ? 54.066 47.332 4.564 1.00 21.56 ? 29 ASP A N 1 ATOM 223 C CA . ASP A 1 29 ? 54.687 46.034 4.305 1.00 23.32 ? 29 ASP A CA 1 ATOM 224 C C . ASP A 1 29 ? 53.595 44.972 4.232 1.00 23.67 ? 29 ASP A C 1 ATOM 225 O O . ASP A 1 29 ? 52.714 45.051 3.379 1.00 24.34 ? 29 ASP A O 1 ATOM 226 C CB . ASP A 1 29 ? 55.701 45.680 5.388 1.00 24.76 ? 29 ASP A CB 1 ATOM 227 C CG . ASP A 1 29 ? 56.960 46.503 5.285 1.00 26.79 ? 29 ASP A CG 1 ATOM 228 O OD1 . ASP A 1 29 ? 57.229 47.032 4.182 1.00 28.78 ? 29 ASP A OD1 1 ATOM 229 O OD2 . ASP A 1 29 ? 57.690 46.606 6.292 1.00 28.58 ? 29 ASP A OD2 1 ATOM 230 N N . ASP A 1 30 ? 53.639 43.985 5.119 1.00 25.43 ? 30 ASP A N 1 ATOM 231 C CA . ASP A 1 30 ? 52.618 42.941 5.123 1.00 27.25 ? 30 ASP A CA 1 ATOM 232 C C . ASP A 1 30 ? 51.712 43.082 6.342 1.00 28.55 ? 30 ASP A C 1 ATOM 233 O O . ASP A 1 30 ? 51.032 42.135 6.735 1.00 31.15 ? 30 ASP A O 1 ATOM 234 C CB . ASP A 1 30 ? 53.274 41.554 5.113 1.00 27.18 ? 30 ASP A CB 1 ATOM 235 C CG . ASP A 1 30 ? 54.125 41.320 3.871 1.00 28.58 ? 30 ASP A CG 1 ATOM 236 O OD1 . ASP A 1 30 ? 53.591 41.491 2.746 1.00 27.90 ? 30 ASP A OD1 1 ATOM 237 O OD2 . ASP A 1 30 ? 55.320 40.968 4.018 1.00 27.21 ? 30 ASP A OD2 1 ATOM 238 N N . THR A 1 31 ? 51.700 44.276 6.927 1.00 28.69 ? 31 THR A N 1 ATOM 239 C CA . THR A 1 31 ? 50.898 44.553 8.113 1.00 27.99 ? 31 THR A CA 1 ATOM 240 C C . THR A 1 31 ? 49.786 45.587 7.915 1.00 26.84 ? 31 THR A C 1 ATOM 241 O O . THR A 1 31 ? 50.056 46.767 7.673 1.00 27.14 ? 31 THR A O 1 ATOM 242 C CB . THR A 1 31 ? 51.799 45.039 9.270 1.00 29.12 ? 31 THR A CB 1 ATOM 243 O OG1 . THR A 1 31 ? 52.715 43.997 9.621 1.00 31.79 ? 31 THR A OG1 1 ATOM 244 C CG2 . THR A 1 31 ? 50.961 45.431 10.494 1.00 26.87 ? 31 THR A CG2 1 ATOM 245 N N . GLU A 1 32 ? 48.543 45.128 8.037 1.00 24.21 ? 32 GLU A N 1 ATOM 246 C CA . GLU A 1 32 ? 47.359 45.980 7.914 1.00 22.20 ? 32 GLU A CA 1 ATOM 247 C C . GLU A 1 32 ? 47.420 46.994 9.067 1.00 20.46 ? 32 GLU A C 1 ATOM 248 O O . GLU A 1 32 ? 47.612 46.601 10.218 1.00 20.40 ? 32 GLU A O 1 ATOM 249 C CB . GLU A 1 32 ? 46.096 45.111 8.040 1.00 20.45 ? 32 GLU A CB 1 ATOM 250 C CG . GLU A 1 32 ? 44.771 45.827 7.771 1.00 23.04 ? 32 GLU A CG 1 ATOM 251 C CD . GLU A 1 32 ? 43.548 44.929 8.025 1.00 24.13 ? 32 GLU A CD 1 ATOM 252 O OE1 . GLU A 1 32 ? 43.723 43.745 8.388 1.00 25.71 ? 32 GLU A OE1 1 ATOM 253 O OE2 . GLU A 1 32 ? 42.407 45.404 7.864 1.00 24.24 ? 32 GLU A OE2 1 ATOM 254 N N . PHE A 1 33 ? 47.279 48.286 8.776 1.00 16.57 ? 33 PHE A N 1 ATOM 255 C CA . PHE A 1 33 ? 47.333 49.265 9.850 1.00 16.70 ? 33 PHE A CA 1 ATOM 256 C C . PHE A 1 33 ? 46.156 50.249 9.900 1.00 17.14 ? 33 PHE A C 1 ATOM 257 O O . PHE A 1 33 ? 45.946 50.893 10.916 1.00 17.55 ? 33 PHE A O 1 ATOM 258 C CB . PHE A 1 33 ? 48.661 50.029 9.821 1.00 16.86 ? 33 PHE A CB 1 ATOM 259 C CG . PHE A 1 33 ? 48.791 51.003 8.691 1.00 18.17 ? 33 PHE A CG 1 ATOM 260 C CD1 . PHE A 1 33 ? 48.978 50.559 7.385 1.00 17.73 ? 33 PHE A CD1 1 ATOM 261 C CD2 . PHE A 1 33 ? 48.709 52.375 8.935 1.00 19.57 ? 33 PHE A CD2 1 ATOM 262 C CE1 . PHE A 1 33 ? 49.104 51.469 6.332 1.00 19.77 ? 33 PHE A CE1 1 ATOM 263 C CE2 . PHE A 1 33 ? 48.834 53.306 7.891 1.00 21.24 ? 33 PHE A CE2 1 ATOM 264 C CZ . PHE A 1 33 ? 49.023 52.850 6.585 1.00 22.52 ? 33 PHE A CZ 1 ATOM 265 N N . VAL A 1 34 ? 45.401 50.379 8.813 1.00 15.53 ? 34 VAL A N 1 ATOM 266 C CA . VAL A 1 34 ? 44.231 51.251 8.812 1.00 16.52 ? 34 VAL A CA 1 ATOM 267 C C . VAL A 1 34 ? 43.141 50.665 7.930 1.00 18.41 ? 34 VAL A C 1 ATOM 268 O O . VAL A 1 34 ? 43.418 49.884 7.029 1.00 20.50 ? 34 VAL A O 1 ATOM 269 C CB . VAL A 1 34 ? 44.546 52.687 8.324 1.00 15.01 ? 34 VAL A CB 1 ATOM 270 C CG1 . VAL A 1 34 ? 45.548 53.349 9.274 1.00 14.51 ? 34 VAL A CG1 1 ATOM 271 C CG2 . VAL A 1 34 ? 45.063 52.659 6.890 1.00 15.08 ? 34 VAL A CG2 1 ATOM 272 N N . ARG A 1 35 ? 41.897 51.044 8.188 1.00 20.76 ? 35 ARG A N 1 ATOM 273 C CA . ARG A 1 35 ? 40.780 50.533 7.409 1.00 22.60 ? 35 ARG A CA 1 ATOM 274 C C . ARG A 1 35 ? 39.575 51.458 7.454 1.00 22.78 ? 35 ARG A C 1 ATOM 275 O O . ARG A 1 35 ? 39.355 52.144 8.445 1.00 24.17 ? 35 ARG A O 1 ATOM 276 C CB . ARG A 1 35 ? 40.364 49.159 7.933 1.00 24.74 ? 35 ARG A CB 1 ATOM 277 C CG . ARG A 1 35 ? 39.111 48.616 7.286 1.00 30.93 ? 35 ARG A CG 1 ATOM 278 C CD . ARG A 1 35 ? 38.676 47.335 7.948 1.00 36.85 ? 35 ARG A CD 1 ATOM 279 N NE . ARG A 1 35 ? 38.290 47.565 9.333 1.00 41.91 ? 35 ARG A NE 1 ATOM 280 C CZ . ARG A 1 35 ? 37.995 46.594 10.192 1.00 45.71 ? 35 ARG A CZ 1 ATOM 281 N NH1 . ARG A 1 35 ? 38.044 45.324 9.800 1.00 47.27 ? 35 ARG A NH1 1 ATOM 282 N NH2 . ARG A 1 35 ? 37.665 46.890 11.444 1.00 46.41 ? 35 ARG A NH2 1 ATOM 283 N N . PHE A 1 36 ? 38.810 51.466 6.364 1.00 23.15 ? 36 PHE A N 1 ATOM 284 C CA . PHE A 1 36 ? 37.587 52.251 6.237 1.00 22.07 ? 36 PHE A CA 1 ATOM 285 C C . PHE A 1 36 ? 36.599 51.393 5.464 1.00 23.17 ? 36 PHE A C 1 ATOM 286 O O . PHE A 1 36 ? 36.891 50.932 4.361 1.00 21.91 ? 36 PHE A O 1 ATOM 287 C CB . PHE A 1 36 ? 37.814 53.543 5.461 1.00 21.58 ? 36 PHE A CB 1 ATOM 288 C CG . PHE A 1 36 ? 36.585 54.403 5.360 1.00 21.97 ? 36 PHE A CG 1 ATOM 289 C CD1 . PHE A 1 36 ? 36.345 55.415 6.292 1.00 22.21 ? 36 PHE A CD1 1 ATOM 290 C CD2 . PHE A 1 36 ? 35.653 54.190 4.352 1.00 21.84 ? 36 PHE A CD2 1 ATOM 291 C CE1 . PHE A 1 36 ? 35.191 56.199 6.226 1.00 20.86 ? 36 PHE A CE1 1 ATOM 292 C CE2 . PHE A 1 36 ? 34.487 54.970 4.277 1.00 22.57 ? 36 PHE A CE2 1 ATOM 293 C CZ . PHE A 1 36 ? 34.260 55.979 5.215 1.00 21.69 ? 36 PHE A CZ 1 ATOM 294 N N . ASP A 1 37 ? 35.427 51.184 6.048 1.00 25.13 ? 37 ASP A N 1 ATOM 295 C CA . ASP A 1 37 ? 34.393 50.373 5.425 1.00 25.21 ? 37 ASP A CA 1 ATOM 296 C C . ASP A 1 37 ? 33.072 51.133 5.507 1.00 26.10 ? 37 ASP A C 1 ATOM 297 O O . ASP A 1 37 ? 32.525 51.305 6.591 1.00 26.09 ? 37 ASP A O 1 ATOM 298 C CB . ASP A 1 37 ? 34.294 49.038 6.158 1.00 24.70 ? 37 ASP A CB 1 ATOM 299 C CG . ASP A 1 37 ? 33.314 48.079 5.508 1.00 27.94 ? 37 ASP A CG 1 ATOM 300 O OD1 . ASP A 1 37 ? 32.755 48.411 4.434 1.00 28.00 ? 37 ASP A OD1 1 ATOM 301 O OD2 . ASP A 1 37 ? 33.108 46.983 6.078 1.00 27.61 ? 37 ASP A OD2 1 ATOM 302 N N . SER A 1 38 ? 32.566 51.580 4.360 1.00 28.05 ? 38 SER A N 1 ATOM 303 C CA . SER A 1 38 ? 31.317 52.345 4.305 1.00 30.84 ? 38 SER A CA 1 ATOM 304 C C . SER A 1 38 ? 30.062 51.580 4.728 1.00 33.34 ? 38 SER A C 1 ATOM 305 O O . SER A 1 38 ? 29.004 52.183 4.899 1.00 33.08 ? 38 SER A O 1 ATOM 306 C CB . SER A 1 38 ? 31.103 52.919 2.900 1.00 28.77 ? 38 SER A CB 1 ATOM 307 O OG . SER A 1 38 ? 30.768 51.911 1.964 1.00 26.78 ? 38 SER A OG 1 ATOM 308 N N . ASP A 1 39 ? 30.176 50.265 4.892 1.00 36.92 ? 39 ASP A N 1 ATOM 309 C CA . ASP A 1 39 ? 29.036 49.458 5.311 1.00 41.46 ? 39 ASP A CA 1 ATOM 310 C C . ASP A 1 39 ? 28.954 49.325 6.828 1.00 44.07 ? 39 ASP A C 1 ATOM 311 O O . ASP A 1 39 ? 28.041 48.693 7.361 1.00 43.94 ? 39 ASP A O 1 ATOM 312 C CB . ASP A 1 39 ? 29.085 48.077 4.656 1.00 42.26 ? 39 ASP A CB 1 ATOM 313 C CG . ASP A 1 39 ? 28.157 47.978 3.449 1.00 46.22 ? 39 ASP A CG 1 ATOM 314 O OD1 . ASP A 1 39 ? 27.963 49.006 2.760 1.00 44.43 ? 39 ASP A OD1 1 ATOM 315 O OD2 . ASP A 1 39 ? 27.626 46.877 3.183 1.00 48.42 ? 39 ASP A OD2 1 ATOM 316 N N . ALA A 1 40 ? 29.916 49.922 7.520 1.00 46.95 ? 40 ALA A N 1 ATOM 317 C CA . ALA A 1 40 ? 29.933 49.898 8.975 1.00 50.44 ? 40 ALA A CA 1 ATOM 318 C C . ALA A 1 40 ? 28.869 50.898 9.439 1.00 52.69 ? 40 ALA A C 1 ATOM 319 O O . ALA A 1 40 ? 28.604 51.886 8.747 1.00 52.73 ? 40 ALA A O 1 ATOM 320 C CB . ALA A 1 40 ? 31.317 50.303 9.491 1.00 49.64 ? 40 ALA A CB 1 ATOM 321 N N . GLU A 1 41 ? 28.258 50.631 10.593 1.00 55.11 ? 41 GLU A N 1 ATOM 322 C CA . GLU A 1 41 ? 27.215 51.493 11.159 1.00 58.08 ? 41 GLU A CA 1 ATOM 323 C C . GLU A 1 41 ? 27.629 52.952 11.041 1.00 58.69 ? 41 GLU A C 1 ATOM 324 O O . GLU A 1 41 ? 26.974 53.747 10.362 1.00 59.39 ? 41 GLU A O 1 ATOM 325 C CB . GLU A 1 41 ? 26.991 51.149 12.631 1.00 60.82 ? 41 GLU A CB 1 ATOM 326 C CG . GLU A 1 41 ? 27.327 49.708 12.986 1.00 65.85 ? 41 GLU A CG 1 ATOM 327 C CD . GLU A 1 41 ? 28.800 49.388 12.769 1.00 68.57 ? 41 GLU A CD 1 ATOM 328 O OE1 . GLU A 1 41 ? 29.651 50.095 13.360 1.00 70.20 ? 41 GLU A OE1 1 ATOM 329 O OE2 . GLU A 1 41 ? 29.105 48.440 12.006 1.00 68.29 ? 41 GLU A OE2 1 ATOM 330 N N . ASN A 1 42 ? 28.723 53.292 11.715 1.00 58.50 ? 42 ASN A N 1 ATOM 331 C CA . ASN A 1 42 ? 29.272 54.645 11.683 1.00 57.80 ? 42 ASN A CA 1 ATOM 332 C C . ASN A 1 42 ? 30.639 54.568 11.008 1.00 55.08 ? 42 ASN A C 1 ATOM 333 O O . ASN A 1 42 ? 31.660 54.335 11.665 1.00 57.60 ? 42 ASN A O 1 ATOM 334 C CB . ASN A 1 42 ? 29.419 55.195 13.105 1.00 60.87 ? 42 ASN A CB 1 ATOM 335 C CG . ASN A 1 42 ? 30.144 56.532 13.146 1.00 62.21 ? 42 ASN A CG 1 ATOM 336 O OD1 . ASN A 1 42 ? 29.662 57.535 12.612 1.00 63.28 ? 42 ASN A OD1 1 ATOM 337 N ND2 . ASN A 1 42 ? 31.310 56.550 13.785 1.00 61.48 ? 42 ASN A ND2 1 ATOM 338 N N . PRO A 1 43 ? 30.671 54.743 9.679 1.00 50.75 ? 43 PRO A N 1 ATOM 339 C CA . PRO A 1 43 ? 31.892 54.698 8.869 1.00 47.05 ? 43 PRO A CA 1 ATOM 340 C C . PRO A 1 43 ? 32.995 55.662 9.319 1.00 43.65 ? 43 PRO A C 1 ATOM 341 O O . PRO A 1 43 ? 32.942 56.862 9.039 1.00 42.37 ? 43 PRO A O 1 ATOM 342 C CB . PRO A 1 43 ? 31.379 55.025 7.471 1.00 47.70 ? 43 PRO A CB 1 ATOM 343 C CG . PRO A 1 43 ? 30.003 54.457 7.484 1.00 48.18 ? 43 PRO A CG 1 ATOM 344 C CD . PRO A 1 43 ? 29.489 54.918 8.819 1.00 49.35 ? 43 PRO A CD 1 ATOM 345 N N . ARG A 1 44 ? 33.991 55.127 10.019 1.00 40.44 ? 44 ARG A N 1 ATOM 346 C CA . ARG A 1 44 ? 35.125 55.923 10.490 1.00 37.74 ? 44 ARG A CA 1 ATOM 347 C C . ARG A 1 44 ? 36.405 55.298 9.955 1.00 34.78 ? 44 ARG A C 1 ATOM 348 O O . ARG A 1 44 ? 36.437 54.106 9.649 1.00 33.73 ? 44 ARG A O 1 ATOM 349 C CB . ARG A 1 44 ? 35.210 55.916 12.025 1.00 38.07 ? 44 ARG A CB 1 ATOM 350 C CG . ARG A 1 44 ? 34.067 56.585 12.758 1.00 40.15 ? 44 ARG A CG 1 ATOM 351 C CD . ARG A 1 44 ? 34.014 58.084 12.498 1.00 41.16 ? 44 ARG A CD 1 ATOM 352 N NE . ARG A 1 44 ? 35.249 58.764 12.879 1.00 41.63 ? 44 ARG A NE 1 ATOM 353 C CZ . ARG A 1 44 ? 35.419 60.083 12.826 1.00 43.13 ? 44 ARG A CZ 1 ATOM 354 N NH1 . ARG A 1 44 ? 34.428 60.869 12.411 1.00 42.78 ? 44 ARG A NH1 1 ATOM 355 N NH2 . ARG A 1 44 ? 36.581 60.616 13.178 1.00 42.07 ? 44 ARG A NH2 1 ATOM 356 N N . TYR A 1 45 ? 37.455 56.100 9.833 1.00 31.96 ? 45 TYR A N 1 ATOM 357 C CA . TYR A 1 45 ? 38.741 55.571 9.400 1.00 30.29 ? 45 TYR A CA 1 ATOM 358 C C . TYR A 1 45 ? 39.288 55.075 10.737 1.00 30.13 ? 45 TYR A C 1 ATOM 359 O O . TYR A 1 45 ? 39.490 55.863 11.661 1.00 28.34 ? 45 TYR A O 1 ATOM 360 C CB . TYR A 1 45 ? 39.621 56.688 8.825 1.00 29.02 ? 45 TYR A CB 1 ATOM 361 C CG . TYR A 1 45 ? 40.548 56.249 7.703 1.00 28.03 ? 45 TYR A CG 1 ATOM 362 C CD1 . TYR A 1 45 ? 41.870 55.890 7.956 1.00 27.47 ? 45 TYR A CD1 1 ATOM 363 C CD2 . TYR A 1 45 ? 40.096 56.193 6.382 1.00 27.55 ? 45 TYR A CD2 1 ATOM 364 C CE1 . TYR A 1 45 ? 42.720 55.490 6.922 1.00 27.86 ? 45 TYR A CE1 1 ATOM 365 C CE2 . TYR A 1 45 ? 40.938 55.791 5.341 1.00 26.67 ? 45 TYR A CE2 1 ATOM 366 C CZ . TYR A 1 45 ? 42.249 55.445 5.618 1.00 26.90 ? 45 TYR A CZ 1 ATOM 367 O OH . TYR A 1 45 ? 43.096 55.094 4.591 1.00 27.31 ? 45 TYR A OH 1 ATOM 368 N N . GLU A 1 46 ? 39.490 53.769 10.866 1.00 30.04 ? 46 GLU A N 1 ATOM 369 C CA . GLU A 1 46 ? 39.965 53.246 12.135 1.00 31.36 ? 46 GLU A CA 1 ATOM 370 C C . GLU A 1 46 ? 41.259 52.453 12.069 1.00 28.87 ? 46 GLU A C 1 ATOM 371 O O . GLU A 1 46 ? 41.528 51.760 11.090 1.00 30.12 ? 46 GLU A O 1 ATOM 372 C CB . GLU A 1 46 ? 38.857 52.413 12.798 1.00 33.26 ? 46 GLU A CB 1 ATOM 373 C CG . GLU A 1 46 ? 38.302 51.298 11.945 1.00 40.47 ? 46 GLU A CG 1 ATOM 374 C CD . GLU A 1 46 ? 37.154 50.558 12.622 1.00 45.09 ? 46 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 46 ? 36.122 51.203 12.928 1.00 46.34 ? 46 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 46 ? 37.284 49.330 12.845 1.00 46.87 ? 46 GLU A OE2 1 ATOM 377 N N . PRO A 1 47 ? 42.083 52.554 13.124 1.00 25.95 ? 47 PRO A N 1 ATOM 378 C CA . PRO A 1 47 ? 43.375 51.864 13.246 1.00 24.19 ? 47 PRO A CA 1 ATOM 379 C C . PRO A 1 47 ? 43.230 50.340 13.296 1.00 22.72 ? 47 PRO A C 1 ATOM 380 O O . PRO A 1 47 ? 42.307 49.819 13.909 1.00 20.22 ? 47 PRO A O 1 ATOM 381 C CB . PRO A 1 47 ? 43.932 52.416 14.551 1.00 23.27 ? 47 PRO A CB 1 ATOM 382 C CG . PRO A 1 47 ? 42.685 52.598 15.364 1.00 24.14 ? 47 PRO A CG 1 ATOM 383 C CD . PRO A 1 47 ? 41.757 53.265 14.371 1.00 23.44 ? 47 PRO A CD 1 ATOM 384 N N . ARG A 1 48 ? 44.157 49.640 12.653 1.00 21.99 ? 48 ARG A N 1 ATOM 385 C CA . ARG A 1 48 ? 44.152 48.188 12.621 1.00 21.74 ? 48 ARG A CA 1 ATOM 386 C C . ARG A 1 48 ? 45.420 47.656 13.265 1.00 22.27 ? 48 ARG A C 1 ATOM 387 O O . ARG A 1 48 ? 45.594 46.454 13.401 1.00 21.23 ? 48 ARG A O 1 ATOM 388 C CB . ARG A 1 48 ? 44.061 47.696 11.181 1.00 22.38 ? 48 ARG A CB 1 ATOM 389 C CG . ARG A 1 48 ? 42.787 48.123 10.502 1.00 25.44 ? 48 ARG A CG 1 ATOM 390 C CD . ARG A 1 48 ? 41.593 47.465 11.163 1.00 28.44 ? 48 ARG A CD 1 ATOM 391 N NE . ARG A 1 48 ? 41.430 46.083 10.727 1.00 32.33 ? 48 ARG A NE 1 ATOM 392 C CZ . ARG A 1 48 ? 40.667 45.194 11.352 1.00 34.53 ? 48 ARG A CZ 1 ATOM 393 N NH1 . ARG A 1 48 ? 40.005 45.550 12.448 1.00 34.21 ? 48 ARG A NH1 1 ATOM 394 N NH2 . ARG A 1 48 ? 40.562 43.959 10.875 1.00 35.59 ? 48 ARG A NH2 1 ATOM 395 N N . ALA A 1 49 ? 46.311 48.563 13.649 1.00 23.73 ? 49 ALA A N 1 ATOM 396 C CA . ALA A 1 49 ? 47.563 48.192 14.302 1.00 23.75 ? 49 ALA A CA 1 ATOM 397 C C . ALA A 1 49 ? 47.682 49.007 15.588 1.00 24.68 ? 49 ALA A C 1 ATOM 398 O O . ALA A 1 49 ? 47.354 50.197 15.617 1.00 26.05 ? 49 ALA A O 1 ATOM 399 C CB . ALA A 1 49 ? 48.746 48.465 13.379 1.00 20.25 ? 49 ALA A CB 1 ATOM 400 N N . ARG A 1 50 ? 48.147 48.369 16.653 1.00 25.12 ? 50 ARG A N 1 ATOM 401 C CA . ARG A 1 50 ? 48.268 49.046 17.931 1.00 25.95 ? 50 ARG A CA 1 ATOM 402 C C . ARG A 1 50 ? 49.172 50.262 17.934 1.00 24.58 ? 50 ARG A C 1 ATOM 403 O O . ARG A 1 50 ? 48.908 51.211 18.662 1.00 25.42 ? 50 ARG A O 1 ATOM 404 C CB . ARG A 1 50 ? 48.690 48.048 19.010 1.00 27.56 ? 50 ARG A CB 1 ATOM 405 C CG . ARG A 1 50 ? 47.544 47.106 19.361 1.00 32.66 ? 50 ARG A CG 1 ATOM 406 C CD . ARG A 1 50 ? 47.982 45.850 20.102 1.00 36.65 ? 50 ARG A CD 1 ATOM 407 N NE . ARG A 1 50 ? 46.813 45.038 20.436 1.00 39.58 ? 50 ARG A NE 1 ATOM 408 C CZ . ARG A 1 50 ? 45.949 45.341 21.403 1.00 41.60 ? 50 ARG A CZ 1 ATOM 409 N NH1 . ARG A 1 50 ? 46.128 46.434 22.143 1.00 40.62 ? 50 ARG A NH1 1 ATOM 410 N NH2 . ARG A 1 50 ? 44.890 44.567 21.615 1.00 41.77 ? 50 ARG A NH2 1 ATOM 411 N N . TRP A 1 51 ? 50.218 50.258 17.116 1.00 23.61 ? 51 TRP A N 1 ATOM 412 C CA . TRP A 1 51 ? 51.112 51.403 17.084 1.00 23.43 ? 51 TRP A CA 1 ATOM 413 C C . TRP A 1 51 ? 50.480 52.645 16.443 1.00 24.47 ? 51 TRP A C 1 ATOM 414 O O . TRP A 1 51 ? 51.019 53.742 16.548 1.00 24.13 ? 51 TRP A O 1 ATOM 415 C CB . TRP A 1 51 ? 52.428 51.048 16.382 1.00 24.24 ? 51 TRP A CB 1 ATOM 416 C CG . TRP A 1 51 ? 52.277 50.375 15.058 1.00 24.66 ? 51 TRP A CG 1 ATOM 417 C CD1 . TRP A 1 51 ? 52.235 49.027 14.817 1.00 25.39 ? 51 TRP A CD1 1 ATOM 418 C CD2 . TRP A 1 51 ? 52.135 51.013 13.788 1.00 22.81 ? 51 TRP A CD2 1 ATOM 419 N NE1 . TRP A 1 51 ? 52.076 48.789 13.471 1.00 23.01 ? 51 TRP A NE1 1 ATOM 420 C CE2 . TRP A 1 51 ? 52.006 49.992 12.816 1.00 22.73 ? 51 TRP A CE2 1 ATOM 421 C CE3 . TRP A 1 51 ? 52.095 52.353 13.375 1.00 22.59 ? 51 TRP A CE3 1 ATOM 422 C CZ2 . TRP A 1 51 ? 51.846 50.266 11.457 1.00 21.55 ? 51 TRP A CZ2 1 ATOM 423 C CZ3 . TRP A 1 51 ? 51.935 52.628 12.023 1.00 21.55 ? 51 TRP A CZ3 1 ATOM 424 C CH2 . TRP A 1 51 ? 51.811 51.585 11.080 1.00 23.69 ? 51 TRP A CH2 1 ATOM 425 N N . MET A 1 52 ? 49.330 52.481 15.794 1.00 24.74 ? 52 MET A N 1 ATOM 426 C CA . MET A 1 52 ? 48.662 53.621 15.176 1.00 24.62 ? 52 MET A CA 1 ATOM 427 C C . MET A 1 52 ? 47.951 54.462 16.228 1.00 26.25 ? 52 MET A C 1 ATOM 428 O O . MET A 1 52 ? 47.256 55.430 15.900 1.00 26.60 ? 52 MET A O 1 ATOM 429 C CB . MET A 1 52 ? 47.654 53.164 14.120 1.00 23.87 ? 52 MET A CB 1 ATOM 430 C CG . MET A 1 52 ? 48.249 52.945 12.745 1.00 21.84 ? 52 MET A CG 1 ATOM 431 S SD . MET A 1 52 ? 49.102 54.423 12.116 1.00 26.38 ? 52 MET A SD 1 ATOM 432 C CE . MET A 1 52 ? 47.743 55.433 11.542 1.00 20.81 ? 52 MET A CE 1 ATOM 433 N N . GLU A 1 53 ? 48.125 54.091 17.493 1.00 26.15 ? 53 GLU A N 1 ATOM 434 C CA . GLU A 1 53 ? 47.512 54.823 18.595 1.00 26.44 ? 53 GLU A CA 1 ATOM 435 C C . GLU A 1 53 ? 48.289 56.129 18.797 1.00 26.23 ? 53 GLU A C 1 ATOM 436 O O . GLU A 1 53 ? 47.883 57.000 19.563 1.00 24.40 ? 53 GLU A O 1 ATOM 437 C CB . GLU A 1 53 ? 47.603 54.012 19.876 1.00 26.73 ? 53 GLU A CB 1 ATOM 438 C CG . GLU A 1 53 ? 48.996 54.069 20.481 1.00 31.41 ? 53 GLU A CG 1 ATOM 439 C CD . GLU A 1 53 ? 49.130 53.199 21.697 1.00 34.38 ? 53 GLU A CD 1 ATOM 440 O OE1 . GLU A 1 53 ? 48.214 53.239 22.546 1.00 37.08 ? 53 GLU A OE1 1 ATOM 441 O OE2 . GLU A 1 53 ? 50.147 52.480 21.805 1.00 35.32 ? 53 GLU A OE2 1 ATOM 442 N N . GLN A 1 54 ? 49.416 56.247 18.111 1.00 25.26 ? 54 GLN A N 1 ATOM 443 C CA . GLN A 1 54 ? 50.252 57.423 18.237 1.00 27.21 ? 54 GLN A CA 1 ATOM 444 C C . GLN A 1 54 ? 49.752 58.613 17.417 1.00 27.10 ? 54 GLN A C 1 ATOM 445 O O . GLN A 1 54 ? 50.292 59.716 17.513 1.00 26.97 ? 54 GLN A O 1 ATOM 446 C CB . GLN A 1 54 ? 51.702 57.056 17.868 1.00 28.02 ? 54 GLN A CB 1 ATOM 447 C CG . GLN A 1 54 ? 52.389 56.203 18.941 1.00 29.35 ? 54 GLN A CG 1 ATOM 448 C CD . GLN A 1 54 ? 53.622 55.470 18.437 1.00 32.63 ? 54 GLN A CD 1 ATOM 449 O OE1 . GLN A 1 54 ? 54.621 56.090 18.054 1.00 34.30 ? 54 GLN A OE1 1 ATOM 450 N NE2 . GLN A 1 54 ? 53.556 54.137 18.431 1.00 30.85 ? 54 GLN A NE2 1 ATOM 451 N N . GLU A 1 55 ? 48.717 58.397 16.616 1.00 26.53 ? 55 GLU A N 1 ATOM 452 C CA . GLU A 1 55 ? 48.165 59.483 15.813 1.00 26.93 ? 55 GLU A CA 1 ATOM 453 C C . GLU A 1 55 ? 47.039 60.209 16.563 1.00 27.57 ? 55 GLU A C 1 ATOM 454 O O . GLU A 1 55 ? 46.137 59.577 17.126 1.00 25.58 ? 55 GLU A O 1 ATOM 455 C CB . GLU A 1 55 ? 47.642 58.953 14.472 1.00 27.06 ? 55 GLU A CB 1 ATOM 456 C CG . GLU A 1 55 ? 48.713 58.409 13.526 1.00 26.65 ? 55 GLU A CG 1 ATOM 457 C CD . GLU A 1 55 ? 49.829 59.410 13.251 1.00 28.66 ? 55 GLU A CD 1 ATOM 458 O OE1 . GLU A 1 55 ? 49.636 60.629 13.476 1.00 28.20 ? 55 GLU A OE1 1 ATOM 459 O OE2 . GLU A 1 55 ? 50.905 58.973 12.793 1.00 29.48 ? 55 GLU A OE2 1 ATOM 460 N N . GLY A 1 56 ? 47.101 61.539 16.565 1.00 28.32 ? 56 GLY A N 1 ATOM 461 C CA . GLY A 1 56 ? 46.091 62.329 17.246 1.00 29.23 ? 56 GLY A CA 1 ATOM 462 C C . GLY A 1 56 ? 44.714 62.211 16.621 1.00 30.54 ? 56 GLY A C 1 ATOM 463 O O . GLY A 1 56 ? 44.557 61.567 15.580 1.00 28.81 ? 56 GLY A O 1 ATOM 464 N N . PRO A 1 57 ? 43.685 62.814 17.244 1.00 32.12 ? 57 PRO A N 1 ATOM 465 C CA . PRO A 1 57 ? 42.307 62.772 16.729 1.00 31.87 ? 57 PRO A CA 1 ATOM 466 C C . PRO A 1 57 ? 42.129 63.513 15.389 1.00 31.20 ? 57 PRO A C 1 ATOM 467 O O . PRO A 1 57 ? 41.250 63.176 14.591 1.00 29.84 ? 57 PRO A O 1 ATOM 468 C CB . PRO A 1 57 ? 41.492 63.381 17.877 1.00 31.65 ? 57 PRO A CB 1 ATOM 469 C CG . PRO A 1 57 ? 42.476 64.293 18.550 1.00 31.75 ? 57 PRO A CG 1 ATOM 470 C CD . PRO A 1 57 ? 43.734 63.471 18.563 1.00 31.65 ? 57 PRO A CD 1 ATOM 471 N N . GLU A 1 58 ? 42.971 64.508 15.140 1.00 30.04 ? 58 GLU A N 1 ATOM 472 C CA . GLU A 1 58 ? 42.898 65.254 13.894 1.00 33.40 ? 58 GLU A CA 1 ATOM 473 C C . GLU A 1 58 ? 43.163 64.312 12.717 1.00 32.35 ? 58 GLU A C 1 ATOM 474 O O . GLU A 1 58 ? 42.504 64.396 11.678 1.00 32.19 ? 58 GLU A O 1 ATOM 475 C CB . GLU A 1 58 ? 43.940 66.372 13.874 1.00 38.85 ? 58 GLU A CB 1 ATOM 476 C CG . GLU A 1 58 ? 43.760 67.444 14.941 1.00 50.00 ? 58 GLU A CG 1 ATOM 477 C CD . GLU A 1 58 ? 43.910 66.895 16.368 1.00 56.96 ? 58 GLU A CD 1 ATOM 478 O OE1 . GLU A 1 58 ? 44.583 65.846 16.530 1.00 59.01 ? 58 GLU A OE1 1 ATOM 479 O OE2 . GLU A 1 58 ? 43.370 67.519 17.321 1.00 59.80 ? 58 GLU A OE2 1 ATOM 480 N N . TYR A 1 59 ? 44.145 63.429 12.879 1.00 29.92 ? 59 TYR A N 1 ATOM 481 C CA . TYR A 1 59 ? 44.500 62.473 11.835 1.00 26.77 ? 59 TYR A CA 1 ATOM 482 C C . TYR A 1 59 ? 43.295 61.615 11.476 1.00 26.82 ? 59 TYR A C 1 ATOM 483 O O . TYR A 1 59 ? 42.980 61.433 10.308 1.00 25.58 ? 59 TYR A O 1 ATOM 484 C CB . TYR A 1 59 ? 45.658 61.589 12.318 1.00 23.96 ? 59 TYR A CB 1 ATOM 485 C CG . TYR A 1 59 ? 46.051 60.464 11.386 1.00 20.08 ? 59 TYR A CG 1 ATOM 486 C CD1 . TYR A 1 59 ? 45.328 59.267 11.351 1.00 19.27 ? 59 TYR A CD1 1 ATOM 487 C CD2 . TYR A 1 59 ? 47.148 60.593 10.541 1.00 21.12 ? 59 TYR A CD2 1 ATOM 488 C CE1 . TYR A 1 59 ? 45.694 58.229 10.495 1.00 15.90 ? 59 TYR A CE1 1 ATOM 489 C CE2 . TYR A 1 59 ? 47.522 59.558 9.681 1.00 18.89 ? 59 TYR A CE2 1 ATOM 490 C CZ . TYR A 1 59 ? 46.788 58.387 9.667 1.00 17.57 ? 59 TYR A CZ 1 ATOM 491 O OH . TYR A 1 59 ? 47.153 57.380 8.816 1.00 19.45 ? 59 TYR A OH 1 ATOM 492 N N . TRP A 1 60 ? 42.614 61.098 12.488 1.00 27.78 ? 60 TRP A N 1 ATOM 493 C CA . TRP A 1 60 ? 41.469 60.257 12.217 1.00 30.72 ? 60 TRP A CA 1 ATOM 494 C C . TRP A 1 60 ? 40.313 61.029 11.575 1.00 32.24 ? 60 TRP A C 1 ATOM 495 O O . TRP A 1 60 ? 39.590 60.488 10.743 1.00 32.54 ? 60 TRP A O 1 ATOM 496 C CB . TRP A 1 60 ? 40.999 59.568 13.499 1.00 28.30 ? 60 TRP A CB 1 ATOM 497 C CG . TRP A 1 60 ? 42.068 58.684 14.064 1.00 28.84 ? 60 TRP A CG 1 ATOM 498 C CD1 . TRP A 1 60 ? 42.802 58.898 15.196 1.00 29.19 ? 60 TRP A CD1 1 ATOM 499 C CD2 . TRP A 1 60 ? 42.604 57.504 13.461 1.00 27.47 ? 60 TRP A CD2 1 ATOM 500 N NE1 . TRP A 1 60 ? 43.767 57.927 15.332 1.00 27.45 ? 60 TRP A NE1 1 ATOM 501 C CE2 . TRP A 1 60 ? 43.667 57.058 14.278 1.00 27.19 ? 60 TRP A CE2 1 ATOM 502 C CE3 . TRP A 1 60 ? 42.290 56.781 12.305 1.00 27.11 ? 60 TRP A CE3 1 ATOM 503 C CZ2 . TRP A 1 60 ? 44.424 55.919 13.972 1.00 24.67 ? 60 TRP A CZ2 1 ATOM 504 C CZ3 . TRP A 1 60 ? 43.047 55.644 12.000 1.00 26.29 ? 60 TRP A CZ3 1 ATOM 505 C CH2 . TRP A 1 60 ? 44.098 55.229 12.832 1.00 24.09 ? 60 TRP A CH2 1 ATOM 506 N N . GLU A 1 61 ? 40.151 62.294 11.941 1.00 33.73 ? 61 GLU A N 1 ATOM 507 C CA . GLU A 1 61 ? 39.066 63.069 11.391 1.00 34.20 ? 61 GLU A CA 1 ATOM 508 C C . GLU A 1 61 ? 39.349 63.357 9.923 1.00 33.52 ? 61 GLU A C 1 ATOM 509 O O . GLU A 1 61 ? 38.468 63.195 9.056 1.00 32.80 ? 61 GLU A O 1 ATOM 510 C CB . GLU A 1 61 ? 38.916 64.374 12.165 1.00 36.19 ? 61 GLU A CB 1 ATOM 511 C CG . GLU A 1 61 ? 37.690 65.228 11.824 1.00 41.88 ? 61 GLU A CG 1 ATOM 512 C CD . GLU A 1 61 ? 36.378 64.426 11.734 1.00 45.66 ? 61 GLU A CD 1 ATOM 513 O OE1 . GLU A 1 61 ? 36.030 63.677 12.683 1.00 45.49 ? 61 GLU A OE1 1 ATOM 514 O OE2 . GLU A 1 61 ? 35.689 64.567 10.700 1.00 48.37 ? 61 GLU A OE2 1 ATOM 515 N N . ARG A 1 62 ? 40.586 63.767 9.648 1.00 31.59 ? 62 ARG A N 1 ATOM 516 C CA . ARG A 1 62 ? 40.998 64.097 8.297 1.00 32.24 ? 62 ARG A CA 1 ATOM 517 C C . ARG A 1 62 ? 40.892 62.901 7.389 1.00 31.39 ? 62 ARG A C 1 ATOM 518 O O . ARG A 1 62 ? 40.380 63.000 6.266 1.00 31.29 ? 62 ARG A O 1 ATOM 519 C CB . ARG A 1 62 ? 42.437 64.634 8.270 1.00 35.02 ? 62 ARG A CB 1 ATOM 520 C CG . ARG A 1 62 ? 43.066 64.839 6.903 1.00 40.39 ? 62 ARG A CG 1 ATOM 521 C CD . ARG A 1 62 ? 44.307 65.723 7.051 1.00 48.15 ? 62 ARG A CD 1 ATOM 522 N NE . ARG A 1 62 ? 45.059 65.435 8.282 1.00 55.99 ? 62 ARG A NE 1 ATOM 523 C CZ . ARG A 1 62 ? 45.829 64.359 8.479 1.00 59.12 ? 62 ARG A CZ 1 ATOM 524 N NH1 . ARG A 1 62 ? 45.969 63.444 7.520 1.00 59.08 ? 62 ARG A NH1 1 ATOM 525 N NH2 . ARG A 1 62 ? 46.449 64.189 9.647 1.00 60.08 ? 62 ARG A NH2 1 ATOM 526 N N . GLU A 1 63 ? 41.392 61.763 7.844 1.00 29.27 ? 63 GLU A N 1 ATOM 527 C CA . GLU A 1 63 ? 41.311 60.579 7.013 1.00 26.36 ? 63 GLU A CA 1 ATOM 528 C C . GLU A 1 63 ? 39.862 60.140 6.814 1.00 24.99 ? 63 GLU A C 1 ATOM 529 O O . GLU A 1 63 ? 39.467 59.723 5.720 1.00 24.47 ? 63 GLU A O 1 ATOM 530 C CB . GLU A 1 63 ? 42.124 59.453 7.640 1.00 26.89 ? 63 GLU A CB 1 ATOM 531 C CG . GLU A 1 63 ? 43.610 59.729 7.698 1.00 28.34 ? 63 GLU A CG 1 ATOM 532 C CD . GLU A 1 63 ? 44.212 59.942 6.321 1.00 29.70 ? 63 GLU A CD 1 ATOM 533 O OE1 . GLU A 1 63 ? 43.849 59.187 5.393 1.00 32.23 ? 63 GLU A OE1 1 ATOM 534 O OE2 . GLU A 1 63 ? 45.052 60.854 6.168 1.00 28.79 ? 63 GLU A OE2 1 ATOM 535 N N . THR A 1 64 ? 39.064 60.208 7.869 1.00 23.98 ? 64 THR A N 1 ATOM 536 C CA . THR A 1 64 ? 37.670 59.812 7.734 1.00 25.69 ? 64 THR A CA 1 ATOM 537 C C . THR A 1 64 ? 36.960 60.690 6.695 1.00 27.06 ? 64 THR A C 1 ATOM 538 O O . THR A 1 64 ? 36.098 60.211 5.957 1.00 25.96 ? 64 THR A O 1 ATOM 539 C CB . THR A 1 64 ? 36.945 59.915 9.072 1.00 25.54 ? 64 THR A CB 1 ATOM 540 O OG1 . THR A 1 64 ? 37.460 58.918 9.963 1.00 27.51 ? 64 THR A OG1 1 ATOM 541 C CG2 . THR A 1 64 ? 35.456 59.703 8.888 1.00 24.57 ? 64 THR A CG2 1 ATOM 542 N N . GLN A 1 65 ? 37.337 61.966 6.636 1.00 27.86 ? 65 GLN A N 1 ATOM 543 C CA . GLN A 1 65 ? 36.750 62.899 5.682 1.00 30.00 ? 65 GLN A CA 1 ATOM 544 C C . GLN A 1 65 ? 37.209 62.538 4.275 1.00 30.60 ? 65 GLN A C 1 ATOM 545 O O . GLN A 1 65 ? 36.397 62.375 3.366 1.00 31.10 ? 65 GLN A O 1 ATOM 546 C CB . GLN A 1 65 ? 37.169 64.336 6.009 1.00 34.16 ? 65 GLN A CB 1 ATOM 547 C CG . GLN A 1 65 ? 36.504 64.905 7.252 1.00 38.75 ? 65 GLN A CG 1 ATOM 548 C CD . GLN A 1 65 ? 34.998 64.709 7.226 1.00 41.78 ? 65 GLN A CD 1 ATOM 549 O OE1 . GLN A 1 65 ? 34.319 65.166 6.299 1.00 45.02 ? 65 GLN A OE1 1 ATOM 550 N NE2 . GLN A 1 65 ? 34.466 64.023 8.238 1.00 39.83 ? 65 GLN A NE2 1 ATOM 551 N N . LYS A 1 66 ? 38.517 62.408 4.096 1.00 30.72 ? 66 LYS A N 1 ATOM 552 C CA . LYS A 1 66 ? 39.059 62.055 2.792 1.00 31.06 ? 66 LYS A CA 1 ATOM 553 C C . LYS A 1 66 ? 38.393 60.778 2.265 1.00 31.56 ? 66 LYS A C 1 ATOM 554 O O . LYS A 1 66 ? 38.032 60.702 1.084 1.00 31.36 ? 66 LYS A O 1 ATOM 555 C CB . LYS A 1 66 ? 40.565 61.839 2.887 1.00 31.59 ? 66 LYS A CB 1 ATOM 556 C CG . LYS A 1 66 ? 41.277 61.768 1.542 1.00 32.33 ? 66 LYS A CG 1 ATOM 557 C CD . LYS A 1 66 ? 42.672 61.185 1.705 1.00 32.15 ? 66 LYS A CD 1 ATOM 558 C CE . LYS A 1 66 ? 43.419 61.808 2.873 1.00 29.79 ? 66 LYS A CE 1 ATOM 559 N NZ . LYS A 1 66 ? 44.608 60.982 3.247 1.00 32.30 ? 66 LYS A NZ 1 ATOM 560 N N . ALA A 1 67 ? 38.227 59.786 3.142 1.00 29.72 ? 67 ALA A N 1 ATOM 561 C CA . ALA A 1 67 ? 37.608 58.521 2.764 1.00 28.96 ? 67 ALA A CA 1 ATOM 562 C C . ALA A 1 67 ? 36.171 58.717 2.291 1.00 29.14 ? 67 ALA A C 1 ATOM 563 O O . ALA A 1 67 ? 35.783 58.202 1.240 1.00 29.21 ? 67 ALA A O 1 ATOM 564 C CB . ALA A 1 67 ? 37.650 57.542 3.930 1.00 29.14 ? 67 ALA A CB 1 ATOM 565 N N . LYS A 1 68 ? 35.375 59.449 3.061 1.00 29.39 ? 68 LYS A N 1 ATOM 566 C CA . LYS A 1 68 ? 33.991 59.697 2.658 1.00 30.44 ? 68 LYS A CA 1 ATOM 567 C C . LYS A 1 68 ? 33.972 60.475 1.340 1.00 30.10 ? 68 LYS A C 1 ATOM 568 O O . LYS A 1 68 ? 33.064 60.309 0.527 1.00 28.94 ? 68 LYS A O 1 ATOM 569 C CB . LYS A 1 68 ? 33.240 60.476 3.738 1.00 31.08 ? 68 LYS A CB 1 ATOM 570 C CG . LYS A 1 68 ? 32.823 59.640 4.934 1.00 32.12 ? 68 LYS A CG 1 ATOM 571 C CD . LYS A 1 68 ? 32.047 60.491 5.919 1.00 34.56 ? 68 LYS A CD 1 ATOM 572 C CE . LYS A 1 68 ? 31.458 59.673 7.049 1.00 36.45 ? 68 LYS A CE 1 ATOM 573 N NZ . LYS A 1 68 ? 30.554 60.527 7.883 1.00 40.58 ? 68 LYS A NZ 1 ATOM 574 N N . GLY A 1 69 ? 34.975 61.326 1.137 1.00 30.03 ? 69 GLY A N 1 ATOM 575 C CA . GLY A 1 69 ? 35.064 62.068 -0.107 1.00 29.64 ? 69 GLY A CA 1 ATOM 576 C C . GLY A 1 69 ? 35.258 61.075 -1.243 1.00 31.74 ? 69 GLY A C 1 ATOM 577 O O . GLY A 1 69 ? 34.629 61.198 -2.293 1.00 31.73 ? 69 GLY A O 1 ATOM 578 N N . ASN A 1 70 ? 36.125 60.082 -1.033 1.00 32.33 ? 70 ASN A N 1 ATOM 579 C CA . ASN A 1 70 ? 36.384 59.057 -2.040 1.00 33.14 ? 70 ASN A CA 1 ATOM 580 C C . ASN A 1 70 ? 35.164 58.171 -2.289 1.00 35.22 ? 70 ASN A C 1 ATOM 581 O O . ASN A 1 70 ? 34.914 57.760 -3.423 1.00 35.66 ? 70 ASN A O 1 ATOM 582 C CB . ASN A 1 70 ? 37.553 58.171 -1.621 1.00 33.07 ? 70 ASN A CB 1 ATOM 583 C CG . ASN A 1 70 ? 38.867 58.910 -1.600 1.00 32.40 ? 70 ASN A CG 1 ATOM 584 O OD1 . ASN A 1 70 ? 39.122 59.783 -2.433 1.00 32.79 ? 70 ASN A OD1 1 ATOM 585 N ND2 . ASN A 1 70 ? 39.723 58.551 -0.656 1.00 31.29 ? 70 ASN A ND2 1 ATOM 586 N N . GLU A 1 71 ? 34.412 57.866 -1.236 1.00 36.98 ? 71 GLU A N 1 ATOM 587 C CA . GLU A 1 71 ? 33.214 57.037 -1.377 1.00 39.32 ? 71 GLU A CA 1 ATOM 588 C C . GLU A 1 71 ? 32.193 57.715 -2.295 1.00 40.91 ? 71 GLU A C 1 ATOM 589 O O . GLU A 1 71 ? 31.495 57.052 -3.067 1.00 42.44 ? 71 GLU A O 1 ATOM 590 C CB . GLU A 1 71 ? 32.583 56.775 -0.007 1.00 39.79 ? 71 GLU A CB 1 ATOM 591 C CG . GLU A 1 71 ? 31.130 56.335 -0.067 1.00 41.85 ? 71 GLU A CG 1 ATOM 592 C CD . GLU A 1 71 ? 30.539 56.055 1.303 1.00 43.91 ? 71 GLU A CD 1 ATOM 593 O OE1 . GLU A 1 71 ? 30.801 56.829 2.250 1.00 45.35 ? 71 GLU A OE1 1 ATOM 594 O OE2 . GLU A 1 71 ? 29.795 55.062 1.430 1.00 45.20 ? 71 GLU A OE2 1 ATOM 595 N N . GLN A 1 72 ? 32.104 59.037 -2.203 1.00 41.32 ? 72 GLN A N 1 ATOM 596 C CA . GLN A 1 72 ? 31.179 59.794 -3.032 1.00 41.86 ? 72 GLN A CA 1 ATOM 597 C C . GLN A 1 72 ? 31.728 59.882 -4.450 1.00 41.36 ? 72 GLN A C 1 ATOM 598 O O . GLN A 1 72 ? 31.031 59.589 -5.418 1.00 42.29 ? 72 GLN A O 1 ATOM 599 C CB . GLN A 1 72 ? 30.997 61.211 -2.477 1.00 43.11 ? 72 GLN A CB 1 ATOM 600 C CG . GLN A 1 72 ? 30.185 61.296 -1.199 1.00 47.33 ? 72 GLN A CG 1 ATOM 601 C CD . GLN A 1 72 ? 28.770 60.780 -1.379 1.00 51.44 ? 72 GLN A CD 1 ATOM 602 O OE1 . GLN A 1 72 ? 28.431 59.674 -0.938 1.00 53.53 ? 72 GLN A OE1 1 ATOM 603 N NE2 . GLN A 1 72 ? 27.933 61.576 -2.044 1.00 51.83 ? 72 GLN A NE2 1 ATOM 604 N N . SER A 1 73 ? 32.989 60.280 -4.566 1.00 39.52 ? 73 SER A N 1 ATOM 605 C CA . SER A 1 73 ? 33.601 60.423 -5.872 1.00 39.42 ? 73 SER A CA 1 ATOM 606 C C . SER A 1 73 ? 33.703 59.102 -6.657 1.00 37.64 ? 73 SER A C 1 ATOM 607 O O . SER A 1 73 ? 33.718 59.126 -7.883 1.00 37.17 ? 73 SER A O 1 ATOM 608 C CB . SER A 1 73 ? 34.980 61.072 -5.746 1.00 40.48 ? 73 SER A CB 1 ATOM 609 O OG . SER A 1 73 ? 35.846 60.331 -4.914 1.00 44.37 ? 73 SER A OG 1 ATOM 610 N N . PHE A 1 74 ? 33.762 57.958 -5.975 1.00 36.21 ? 74 PHE A N 1 ATOM 611 C CA . PHE A 1 74 ? 33.825 56.696 -6.693 1.00 33.78 ? 74 PHE A CA 1 ATOM 612 C C . PHE A 1 74 ? 32.432 56.320 -7.186 1.00 33.56 ? 74 PHE A C 1 ATOM 613 O O . PHE A 1 74 ? 32.284 55.585 -8.166 1.00 31.35 ? 74 PHE A O 1 ATOM 614 C CB . PHE A 1 74 ? 34.408 55.581 -5.819 1.00 32.44 ? 74 PHE A CB 1 ATOM 615 C CG . PHE A 1 74 ? 35.905 55.452 -5.922 1.00 30.24 ? 74 PHE A CG 1 ATOM 616 C CD1 . PHE A 1 74 ? 36.743 56.385 -5.329 1.00 29.71 ? 74 PHE A CD1 1 ATOM 617 C CD2 . PHE A 1 74 ? 36.476 54.399 -6.622 1.00 29.94 ? 74 PHE A CD2 1 ATOM 618 C CE1 . PHE A 1 74 ? 38.129 56.270 -5.427 1.00 29.03 ? 74 PHE A CE1 1 ATOM 619 C CE2 . PHE A 1 74 ? 37.854 54.275 -6.726 1.00 29.29 ? 74 PHE A CE2 1 ATOM 620 C CZ . PHE A 1 74 ? 38.688 55.215 -6.125 1.00 27.95 ? 74 PHE A CZ 1 ATOM 621 N N . ARG A 1 75 ? 31.410 56.830 -6.502 1.00 34.57 ? 75 ARG A N 1 ATOM 622 C CA . ARG A 1 75 ? 30.032 56.578 -6.888 1.00 35.20 ? 75 ARG A CA 1 ATOM 623 C C . ARG A 1 75 ? 29.866 57.217 -8.270 1.00 33.01 ? 75 ARG A C 1 ATOM 624 O O . ARG A 1 75 ? 29.143 56.703 -9.124 1.00 31.25 ? 75 ARG A O 1 ATOM 625 C CB . ARG A 1 75 ? 29.081 57.225 -5.873 1.00 39.48 ? 75 ARG A CB 1 ATOM 626 C CG . ARG A 1 75 ? 27.619 56.946 -6.118 1.00 47.02 ? 75 ARG A CG 1 ATOM 627 C CD . ARG A 1 75 ? 26.773 57.366 -4.917 1.00 53.14 ? 75 ARG A CD 1 ATOM 628 N NE . ARG A 1 75 ? 25.340 57.333 -5.224 1.00 60.91 ? 75 ARG A NE 1 ATOM 629 C CZ . ARG A 1 75 ? 24.689 58.271 -5.917 1.00 63.79 ? 75 ARG A CZ 1 ATOM 630 N NH1 . ARG A 1 75 ? 25.331 59.338 -6.376 1.00 63.58 ? 75 ARG A NH1 1 ATOM 631 N NH2 . ARG A 1 75 ? 23.394 58.126 -6.186 1.00 66.02 ? 75 ARG A NH2 1 ATOM 632 N N . VAL A 1 76 ? 30.559 58.339 -8.467 1.00 30.62 ? 76 VAL A N 1 ATOM 633 C CA . VAL A 1 76 ? 30.545 59.072 -9.720 1.00 28.58 ? 76 VAL A CA 1 ATOM 634 C C . VAL A 1 76 ? 31.334 58.296 -10.777 1.00 30.87 ? 76 VAL A C 1 ATOM 635 O O . VAL A 1 76 ? 30.956 58.280 -11.949 1.00 31.56 ? 76 VAL A O 1 ATOM 636 C CB . VAL A 1 76 ? 31.187 60.474 -9.559 1.00 28.07 ? 76 VAL A CB 1 ATOM 637 C CG1 . VAL A 1 76 ? 31.264 61.184 -10.920 1.00 23.18 ? 76 VAL A CG1 1 ATOM 638 C CG2 . VAL A 1 76 ? 30.390 61.303 -8.561 1.00 26.11 ? 76 VAL A CG2 1 ATOM 639 N N . ASP A 1 77 ? 32.433 57.656 -10.376 1.00 30.96 ? 77 ASP A N 1 ATOM 640 C CA . ASP A 1 77 ? 33.232 56.894 -11.337 1.00 30.83 ? 77 ASP A CA 1 ATOM 641 C C . ASP A 1 77 ? 32.480 55.684 -11.875 1.00 29.31 ? 77 ASP A C 1 ATOM 642 O O . ASP A 1 77 ? 32.602 55.354 -13.054 1.00 28.59 ? 77 ASP A O 1 ATOM 643 C CB . ASP A 1 77 ? 34.547 56.412 -10.726 1.00 31.97 ? 77 ASP A CB 1 ATOM 644 C CG . ASP A 1 77 ? 35.464 57.545 -10.345 1.00 34.65 ? 77 ASP A CG 1 ATOM 645 O OD1 . ASP A 1 77 ? 35.524 58.554 -11.091 1.00 37.32 ? 77 ASP A OD1 1 ATOM 646 O OD2 . ASP A 1 77 ? 36.141 57.414 -9.300 1.00 34.78 ? 77 ASP A OD2 1 ATOM 647 N N . LEU A 1 78 ? 31.713 55.022 -11.013 1.00 28.01 ? 78 LEU A N 1 ATOM 648 C CA . LEU A 1 78 ? 30.939 53.855 -11.426 1.00 29.22 ? 78 LEU A CA 1 ATOM 649 C C . LEU A 1 78 ? 29.912 54.218 -12.504 1.00 30.52 ? 78 LEU A C 1 ATOM 650 O O . LEU A 1 78 ? 29.719 53.470 -13.463 1.00 29.70 ? 78 LEU A O 1 ATOM 651 C CB . LEU A 1 78 ? 30.233 53.231 -10.221 1.00 25.93 ? 78 LEU A CB 1 ATOM 652 C CG . LEU A 1 78 ? 31.132 52.449 -9.268 1.00 25.83 ? 78 LEU A CG 1 ATOM 653 C CD1 . LEU A 1 78 ? 30.450 52.294 -7.928 1.00 26.61 ? 78 LEU A CD1 1 ATOM 654 C CD2 . LEU A 1 78 ? 31.459 51.088 -9.863 1.00 26.59 ? 78 LEU A CD2 1 ATOM 655 N N . ARG A 1 79 ? 29.255 55.365 -12.355 1.00 32.19 ? 79 ARG A N 1 ATOM 656 C CA . ARG A 1 79 ? 28.275 55.777 -13.352 1.00 34.65 ? 79 ARG A CA 1 ATOM 657 C C . ARG A 1 79 ? 28.987 56.114 -14.654 1.00 33.66 ? 79 ARG A C 1 ATOM 658 O O . ARG A 1 79 ? 28.517 55.760 -15.739 1.00 33.13 ? 79 ARG A O 1 ATOM 659 C CB . ARG A 1 79 ? 27.481 56.988 -12.871 1.00 38.78 ? 79 ARG A CB 1 ATOM 660 C CG . ARG A 1 79 ? 26.596 56.685 -11.668 1.00 47.88 ? 79 ARG A CG 1 ATOM 661 C CD . ARG A 1 79 ? 25.566 57.785 -11.441 1.00 55.03 ? 79 ARG A CD 1 ATOM 662 N NE . ARG A 1 79 ? 26.152 59.042 -10.980 1.00 60.90 ? 79 ARG A NE 1 ATOM 663 C CZ . ARG A 1 79 ? 26.477 59.291 -9.716 1.00 63.75 ? 79 ARG A CZ 1 ATOM 664 N NH1 . ARG A 1 79 ? 26.269 58.369 -8.784 1.00 64.80 ? 79 ARG A NH1 1 ATOM 665 N NH2 . ARG A 1 79 ? 27.014 60.458 -9.382 1.00 66.70 ? 79 ARG A NH2 1 ATOM 666 N N . THR A 1 80 ? 30.125 56.793 -14.539 1.00 31.13 ? 80 THR A N 1 ATOM 667 C CA . THR A 1 80 ? 30.907 57.175 -15.704 1.00 30.00 ? 80 THR A CA 1 ATOM 668 C C . THR A 1 80 ? 31.288 55.957 -16.547 1.00 31.43 ? 80 THR A C 1 ATOM 669 O O . THR A 1 80 ? 31.065 55.938 -17.758 1.00 31.37 ? 80 THR A O 1 ATOM 670 C CB . THR A 1 80 ? 32.188 57.913 -15.286 1.00 28.41 ? 80 THR A CB 1 ATOM 671 O OG1 . THR A 1 80 ? 31.845 59.042 -14.476 1.00 29.51 ? 80 THR A OG1 1 ATOM 672 C CG2 . THR A 1 80 ? 32.944 58.400 -16.505 1.00 26.35 ? 80 THR A CG2 1 ATOM 673 N N . LEU A 1 81 ? 31.859 54.939 -15.913 1.00 32.10 ? 81 LEU A N 1 ATOM 674 C CA . LEU A 1 81 ? 32.255 53.746 -16.648 1.00 33.11 ? 81 LEU A CA 1 ATOM 675 C C . LEU A 1 81 ? 31.074 53.082 -17.351 1.00 34.17 ? 81 LEU A C 1 ATOM 676 O O . LEU A 1 81 ? 31.228 52.574 -18.461 1.00 35.74 ? 81 LEU A O 1 ATOM 677 C CB . LEU A 1 81 ? 32.956 52.748 -15.725 1.00 32.69 ? 81 LEU A CB 1 ATOM 678 C CG . LEU A 1 81 ? 34.270 53.254 -15.111 1.00 34.66 ? 81 LEU A CG 1 ATOM 679 C CD1 . LEU A 1 81 ? 34.959 52.100 -14.387 1.00 33.06 ? 81 LEU A CD1 1 ATOM 680 C CD2 . LEU A 1 81 ? 35.189 53.824 -16.196 1.00 30.29 ? 81 LEU A CD2 1 ATOM 681 N N . LEU A 1 82 ? 29.901 53.079 -16.718 1.00 33.75 ? 82 LEU A N 1 ATOM 682 C CA . LEU A 1 82 ? 28.713 52.491 -17.340 1.00 32.85 ? 82 LEU A CA 1 ATOM 683 C C . LEU A 1 82 ? 28.518 53.125 -18.716 1.00 32.60 ? 82 LEU A C 1 ATOM 684 O O . LEU A 1 82 ? 28.102 52.460 -19.668 1.00 31.68 ? 82 LEU A O 1 ATOM 685 C CB . LEU A 1 82 ? 27.460 52.750 -16.492 1.00 33.78 ? 82 LEU A CB 1 ATOM 686 C CG . LEU A 1 82 ? 27.187 51.911 -15.240 1.00 33.85 ? 82 LEU A CG 1 ATOM 687 C CD1 . LEU A 1 82 ? 25.914 52.407 -14.578 1.00 31.61 ? 82 LEU A CD1 1 ATOM 688 C CD2 . LEU A 1 82 ? 27.054 50.437 -15.611 1.00 33.57 ? 82 LEU A CD2 1 ATOM 689 N N . GLY A 1 83 ? 28.817 54.421 -18.802 1.00 31.71 ? 83 GLY A N 1 ATOM 690 C CA . GLY A 1 83 ? 28.694 55.138 -20.057 1.00 31.44 ? 83 GLY A CA 1 ATOM 691 C C . GLY A 1 83 ? 29.803 54.765 -21.029 1.00 31.86 ? 83 GLY A C 1 ATOM 692 O O . GLY A 1 83 ? 29.550 54.550 -22.210 1.00 32.82 ? 83 GLY A O 1 ATOM 693 N N . TYR A 1 84 ? 31.036 54.683 -20.538 1.00 32.07 ? 84 TYR A N 1 ATOM 694 C CA . TYR A 1 84 ? 32.164 54.329 -21.393 1.00 31.99 ? 84 TYR A CA 1 ATOM 695 C C . TYR A 1 84 ? 31.927 52.971 -22.039 1.00 33.00 ? 84 TYR A C 1 ATOM 696 O O . TYR A 1 84 ? 32.187 52.776 -23.223 1.00 32.56 ? 84 TYR A O 1 ATOM 697 C CB . TYR A 1 84 ? 33.471 54.265 -20.588 1.00 30.04 ? 84 TYR A CB 1 ATOM 698 C CG . TYR A 1 84 ? 33.978 55.587 -20.048 1.00 28.50 ? 84 TYR A CG 1 ATOM 699 C CD1 . TYR A 1 84 ? 33.439 56.802 -20.478 1.00 29.75 ? 84 TYR A CD1 1 ATOM 700 C CD2 . TYR A 1 84 ? 35.019 55.623 -19.120 1.00 26.02 ? 84 TYR A CD2 1 ATOM 701 C CE1 . TYR A 1 84 ? 33.933 58.020 -20.006 1.00 28.92 ? 84 TYR A CE1 1 ATOM 702 C CE2 . TYR A 1 84 ? 35.520 56.828 -18.641 1.00 25.76 ? 84 TYR A CE2 1 ATOM 703 C CZ . TYR A 1 84 ? 34.972 58.025 -19.082 1.00 28.89 ? 84 TYR A CZ 1 ATOM 704 O OH . TYR A 1 84 ? 35.478 59.225 -18.615 1.00 27.40 ? 84 TYR A OH 1 ATOM 705 N N . TYR A 1 85 ? 31.421 52.035 -21.250 1.00 34.63 ? 85 TYR A N 1 ATOM 706 C CA . TYR A 1 85 ? 31.174 50.689 -21.732 1.00 36.81 ? 85 TYR A CA 1 ATOM 707 C C . TYR A 1 85 ? 29.765 50.417 -22.251 1.00 40.52 ? 85 TYR A C 1 ATOM 708 O O . TYR A 1 85 ? 29.475 49.297 -22.683 1.00 41.61 ? 85 TYR A O 1 ATOM 709 C CB . TYR A 1 85 ? 31.511 49.695 -20.625 1.00 34.31 ? 85 TYR A CB 1 ATOM 710 C CG . TYR A 1 85 ? 32.985 49.631 -20.308 1.00 33.21 ? 85 TYR A CG 1 ATOM 711 C CD1 . TYR A 1 85 ? 33.851 48.893 -21.105 1.00 31.68 ? 85 TYR A CD1 1 ATOM 712 C CD2 . TYR A 1 85 ? 33.516 50.313 -19.215 1.00 32.36 ? 85 TYR A CD2 1 ATOM 713 C CE1 . TYR A 1 85 ? 35.206 48.830 -20.824 1.00 31.77 ? 85 TYR A CE1 1 ATOM 714 C CE2 . TYR A 1 85 ? 34.869 50.258 -18.926 1.00 31.52 ? 85 TYR A CE2 1 ATOM 715 C CZ . TYR A 1 85 ? 35.709 49.511 -19.734 1.00 31.46 ? 85 TYR A CZ 1 ATOM 716 O OH . TYR A 1 85 ? 37.048 49.426 -19.450 1.00 30.60 ? 85 TYR A OH 1 ATOM 717 N N . ASN A 1 86 ? 28.894 51.425 -22.219 1.00 43.82 ? 86 ASN A N 1 ATOM 718 C CA . ASN A 1 86 ? 27.518 51.251 -22.684 1.00 45.78 ? 86 ASN A CA 1 ATOM 719 C C . ASN A 1 86 ? 26.928 50.045 -21.960 1.00 44.04 ? 86 ASN A C 1 ATOM 720 O O . ASN A 1 86 ? 26.500 49.088 -22.590 1.00 43.58 ? 86 ASN A O 1 ATOM 721 C CB . ASN A 1 86 ? 27.500 51.017 -24.204 1.00 51.19 ? 86 ASN A CB 1 ATOM 722 C CG . ASN A 1 86 ? 26.103 50.774 -24.753 1.00 57.74 ? 86 ASN A CG 1 ATOM 723 O OD1 . ASN A 1 86 ? 25.270 51.685 -24.786 1.00 55.02 ? 86 ASN A OD1 1 ATOM 724 N ND2 . ASN A 1 86 ? 25.861 49.534 -25.183 1.00 65.94 ? 86 ASN A ND2 1 ATOM 725 N N . GLN A 1 87 ? 26.914 50.087 -20.632 1.00 44.44 ? 87 GLN A N 1 ATOM 726 C CA . GLN A 1 87 ? 26.386 48.971 -19.854 1.00 44.31 ? 87 GLN A CA 1 ATOM 727 C C . GLN A 1 87 ? 25.059 49.269 -19.170 1.00 43.72 ? 87 GLN A C 1 ATOM 728 O O . GLN A 1 87 ? 24.698 50.428 -18.940 1.00 41.25 ? 87 GLN A O 1 ATOM 729 C CB . GLN A 1 87 ? 27.405 48.529 -18.796 1.00 43.33 ? 87 GLN A CB 1 ATOM 730 C CG . GLN A 1 87 ? 28.738 48.069 -19.367 1.00 42.81 ? 87 GLN A CG 1 ATOM 731 C CD . GLN A 1 87 ? 29.736 47.652 -18.292 1.00 42.94 ? 87 GLN A CD 1 ATOM 732 O OE1 . GLN A 1 87 ? 30.007 48.398 -17.347 1.00 42.35 ? 87 GLN A OE1 1 ATOM 733 N NE2 . GLN A 1 87 ? 30.292 46.458 -18.440 1.00 41.11 ? 87 GLN A NE2 1 ATOM 734 N N . SER A 1 88 ? 24.345 48.195 -18.851 1.00 44.70 ? 88 SER A N 1 ATOM 735 C CA . SER A 1 88 ? 23.060 48.275 -18.173 1.00 46.44 ? 88 SER A CA 1 ATOM 736 C C . SER A 1 88 ? 23.218 48.977 -16.829 1.00 47.29 ? 88 SER A C 1 ATOM 737 O O . SER A 1 88 ? 24.242 48.840 -16.150 1.00 48.72 ? 88 SER A O 1 ATOM 738 C CB . SER A 1 88 ? 22.498 46.869 -17.955 1.00 47.43 ? 88 SER A CB 1 ATOM 739 O OG . SER A 1 88 ? 21.413 46.890 -17.046 1.00 49.90 ? 88 SER A OG 1 ATOM 740 N N . LYS A 1 89 ? 22.191 49.721 -16.442 1.00 46.93 ? 89 LYS A N 1 ATOM 741 C CA . LYS A 1 89 ? 22.213 50.460 -15.188 1.00 46.06 ? 89 LYS A CA 1 ATOM 742 C C . LYS A 1 89 ? 21.851 49.567 -14.004 1.00 43.80 ? 89 LYS A C 1 ATOM 743 O O . LYS A 1 89 ? 21.828 50.024 -12.866 1.00 43.75 ? 89 LYS A O 1 ATOM 744 C CB . LYS A 1 89 ? 21.236 51.637 -15.286 1.00 48.45 ? 89 LYS A CB 1 ATOM 745 C CG . LYS A 1 89 ? 21.360 52.704 -14.212 1.00 51.35 ? 89 LYS A CG 1 ATOM 746 C CD . LYS A 1 89 ? 20.812 54.033 -14.749 1.00 55.21 ? 89 LYS A CD 1 ATOM 747 C CE . LYS A 1 89 ? 20.651 55.098 -13.665 1.00 57.11 ? 89 LYS A CE 1 ATOM 748 N NZ . LYS A 1 89 ? 19.527 54.799 -12.719 1.00 58.62 ? 89 LYS A NZ 1 ATOM 749 N N . GLY A 1 90 ? 21.593 48.289 -14.266 1.00 41.42 ? 90 GLY A N 1 ATOM 750 C CA . GLY A 1 90 ? 21.210 47.399 -13.184 1.00 40.24 ? 90 GLY A CA 1 ATOM 751 C C . GLY A 1 90 ? 22.136 46.249 -12.843 1.00 39.18 ? 90 GLY A C 1 ATOM 752 O O . GLY A 1 90 ? 21.718 45.291 -12.196 1.00 39.14 ? 90 GLY A O 1 ATOM 753 N N . GLY A 1 91 ? 23.388 46.326 -13.275 1.00 37.82 ? 91 GLY A N 1 ATOM 754 C CA . GLY A 1 91 ? 24.324 45.263 -12.962 1.00 35.98 ? 91 GLY A CA 1 ATOM 755 C C . GLY A 1 91 ? 25.338 45.708 -11.924 1.00 34.07 ? 91 GLY A C 1 ATOM 756 O O . GLY A 1 91 ? 25.565 46.904 -11.746 1.00 34.40 ? 91 GLY A O 1 ATOM 757 N N . SER A 1 92 ? 25.945 44.759 -11.224 1.00 32.18 ? 92 SER A N 1 ATOM 758 C CA . SER A 1 92 ? 26.946 45.109 -10.227 1.00 31.23 ? 92 SER A CA 1 ATOM 759 C C . SER A 1 92 ? 28.315 45.209 -10.904 1.00 29.71 ? 92 SER A C 1 ATOM 760 O O . SER A 1 92 ? 28.678 44.363 -11.719 1.00 29.35 ? 92 SER A O 1 ATOM 761 C CB . SER A 1 92 ? 26.984 44.061 -9.114 1.00 31.33 ? 92 SER A CB 1 ATOM 762 O OG . SER A 1 92 ? 27.848 44.473 -8.066 1.00 32.91 ? 92 SER A OG 1 ATOM 763 N N . HIS A 1 93 ? 29.071 46.248 -10.572 1.00 27.80 ? 93 HIS A N 1 ATOM 764 C CA . HIS A 1 93 ? 30.386 46.437 -11.167 1.00 27.05 ? 93 HIS A CA 1 ATOM 765 C C . HIS A 1 93 ? 31.416 46.802 -10.112 1.00 25.34 ? 93 HIS A C 1 ATOM 766 O O . HIS A 1 93 ? 31.065 47.306 -9.046 1.00 25.19 ? 93 HIS A O 1 ATOM 767 C CB . HIS A 1 93 ? 30.298 47.503 -12.255 1.00 27.99 ? 93 HIS A CB 1 ATOM 768 C CG . HIS A 1 93 ? 29.439 47.093 -13.407 1.00 31.52 ? 93 HIS A CG 1 ATOM 769 N ND1 . HIS A 1 93 ? 29.868 46.214 -14.379 1.00 32.27 ? 93 HIS A ND1 1 ATOM 770 C CD2 . HIS A 1 93 ? 28.147 47.376 -13.703 1.00 31.86 ? 93 HIS A CD2 1 ATOM 771 C CE1 . HIS A 1 93 ? 28.881 45.974 -15.223 1.00 32.16 ? 93 HIS A CE1 1 ATOM 772 N NE2 . HIS A 1 93 ? 27.824 46.667 -14.834 1.00 33.04 ? 93 HIS A NE2 1 ATOM 773 N N . THR A 1 94 ? 32.687 46.549 -10.411 1.00 23.81 ? 94 THR A N 1 ATOM 774 C CA . THR A 1 94 ? 33.756 46.829 -9.455 1.00 22.67 ? 94 THR A CA 1 ATOM 775 C C . THR A 1 94 ? 34.931 47.669 -9.942 1.00 20.85 ? 94 THR A C 1 ATOM 776 O O . THR A 1 94 ? 35.469 47.446 -11.023 1.00 20.88 ? 94 THR A O 1 ATOM 777 C CB . THR A 1 94 ? 34.365 45.524 -8.923 1.00 22.64 ? 94 THR A CB 1 ATOM 778 O OG1 . THR A 1 94 ? 33.319 44.673 -8.437 1.00 26.85 ? 94 THR A OG1 1 ATOM 779 C CG2 . THR A 1 94 ? 35.343 45.821 -7.795 1.00 22.08 ? 94 THR A CG2 1 ATOM 780 N N . ILE A 1 95 ? 35.323 48.640 -9.127 1.00 19.33 ? 95 ILE A N 1 ATOM 781 C CA . ILE A 1 95 ? 36.486 49.457 -9.436 1.00 18.44 ? 95 ILE A CA 1 ATOM 782 C C . ILE A 1 95 ? 37.479 49.132 -8.334 1.00 17.50 ? 95 ILE A C 1 ATOM 783 O O . ILE A 1 95 ? 37.120 49.159 -7.151 1.00 19.44 ? 95 ILE A O 1 ATOM 784 C CB . ILE A 1 95 ? 36.214 50.979 -9.370 1.00 18.47 ? 95 ILE A CB 1 ATOM 785 C CG1 . ILE A 1 95 ? 35.323 51.428 -10.533 1.00 19.03 ? 95 ILE A CG1 1 ATOM 786 C CG2 . ILE A 1 95 ? 37.540 51.722 -9.440 1.00 16.75 ? 95 ILE A CG2 1 ATOM 787 C CD1 . ILE A 1 95 ? 35.057 52.937 -10.546 1.00 20.25 ? 95 ILE A CD1 1 ATOM 788 N N . GLN A 1 96 ? 38.713 48.815 -8.715 1.00 15.48 ? 96 GLN A N 1 ATOM 789 C CA . GLN A 1 96 ? 39.768 48.500 -7.747 1.00 13.73 ? 96 GLN A CA 1 ATOM 790 C C . GLN A 1 96 ? 40.991 49.402 -7.935 1.00 13.31 ? 96 GLN A C 1 ATOM 791 O O . GLN A 1 96 ? 41.332 49.789 -9.053 1.00 13.03 ? 96 GLN A O 1 ATOM 792 C CB . GLN A 1 96 ? 40.182 47.031 -7.879 1.00 13.54 ? 96 GLN A CB 1 ATOM 793 C CG . GLN A 1 96 ? 39.117 46.051 -7.401 1.00 15.64 ? 96 GLN A CG 1 ATOM 794 C CD . GLN A 1 96 ? 39.429 44.603 -7.765 1.00 15.70 ? 96 GLN A CD 1 ATOM 795 O OE1 . GLN A 1 96 ? 39.075 44.131 -8.844 1.00 12.73 ? 96 GLN A OE1 1 ATOM 796 N NE2 . GLN A 1 96 ? 40.103 43.899 -6.863 1.00 14.86 ? 96 GLN A NE2 1 ATOM 797 N N . VAL A 1 97 ? 41.646 49.754 -6.839 1.00 13.54 ? 97 VAL A N 1 ATOM 798 C CA . VAL A 1 97 ? 42.829 50.592 -6.939 1.00 14.15 ? 97 VAL A CA 1 ATOM 799 C C . VAL A 1 97 ? 43.890 50.189 -5.930 1.00 14.60 ? 97 VAL A C 1 ATOM 800 O O . VAL A 1 97 ? 43.582 49.878 -4.774 1.00 14.75 ? 97 VAL A O 1 ATOM 801 C CB . VAL A 1 97 ? 42.511 52.099 -6.682 1.00 16.66 ? 97 VAL A CB 1 ATOM 802 C CG1 . VAL A 1 97 ? 43.703 52.949 -7.074 1.00 15.55 ? 97 VAL A CG1 1 ATOM 803 C CG2 . VAL A 1 97 ? 41.277 52.533 -7.456 1.00 18.56 ? 97 VAL A CG2 1 ATOM 804 N N . ILE A 1 98 ? 45.139 50.173 -6.381 1.00 13.68 ? 98 ILE A N 1 ATOM 805 C CA . ILE A 1 98 ? 46.261 49.886 -5.507 1.00 14.40 ? 98 ILE A CA 1 ATOM 806 C C . ILE A 1 98 ? 47.089 51.153 -5.618 1.00 15.11 ? 98 ILE A C 1 ATOM 807 O O . ILE A 1 98 ? 47.458 51.557 -6.720 1.00 13.29 ? 98 ILE A O 1 ATOM 808 C CB . ILE A 1 98 ? 47.112 48.691 -5.977 1.00 14.19 ? 98 ILE A CB 1 ATOM 809 C CG1 . ILE A 1 98 ? 46.249 47.447 -6.101 1.00 18.70 ? 98 ILE A CG1 1 ATOM 810 C CG2 . ILE A 1 98 ? 48.177 48.388 -4.937 1.00 12.52 ? 98 ILE A CG2 1 ATOM 811 C CD1 . ILE A 1 98 ? 47.051 46.205 -6.458 1.00 25.14 ? 98 ILE A CD1 1 ATOM 812 N N . SER A 1 99 ? 47.355 51.793 -4.483 1.00 16.61 ? 99 SER A N 1 ATOM 813 C CA . SER A 1 99 ? 48.116 53.037 -4.476 1.00 18.19 ? 99 SER A CA 1 ATOM 814 C C . SER A 1 99 ? 49.164 53.046 -3.378 1.00 20.18 ? 99 SER A C 1 ATOM 815 O O . SER A 1 99 ? 48.910 52.587 -2.258 1.00 22.71 ? 99 SER A O 1 ATOM 816 C CB . SER A 1 99 ? 47.166 54.220 -4.280 1.00 16.75 ? 99 SER A CB 1 ATOM 817 O OG . SER A 1 99 ? 47.860 55.451 -4.373 1.00 18.76 ? 99 SER A OG 1 ATOM 818 N N . GLY A 1 100 ? 50.341 53.571 -3.687 1.00 19.39 ? 100 GLY A N 1 ATOM 819 C CA . GLY A 1 100 ? 51.367 53.618 -2.672 1.00 20.84 ? 100 GLY A CA 1 ATOM 820 C C . GLY A 1 100 ? 52.771 53.833 -3.184 1.00 22.79 ? 100 GLY A C 1 ATOM 821 O O . GLY A 1 100 ? 53.001 54.070 -4.373 1.00 23.54 ? 100 GLY A O 1 ATOM 822 N N . CYS A 1 101 ? 53.721 53.732 -2.266 1.00 23.03 ? 101 CYS A N 1 ATOM 823 C CA . CYS A 1 101 ? 55.120 53.917 -2.593 1.00 23.94 ? 101 CYS A CA 1 ATOM 824 C C . CYS A 1 101 ? 55.981 52.876 -1.894 1.00 23.72 ? 101 CYS A C 1 ATOM 825 O O . CYS A 1 101 ? 55.522 52.147 -1.015 1.00 22.64 ? 101 CYS A O 1 ATOM 826 C CB . CYS A 1 101 ? 55.548 55.330 -2.188 1.00 23.22 ? 101 CYS A CB 1 ATOM 827 S SG . CYS A 1 101 ? 55.057 55.768 -0.491 1.00 27.66 ? 101 CYS A SG 1 ATOM 828 N N . GLU A 1 102 ? 57.240 52.813 -2.296 1.00 24.61 ? 102 GLU A N 1 ATOM 829 C CA . GLU A 1 102 ? 58.181 51.873 -1.718 1.00 25.50 ? 102 GLU A CA 1 ATOM 830 C C . GLU A 1 102 ? 59.466 52.660 -1.465 1.00 26.07 ? 102 GLU A C 1 ATOM 831 O O . GLU A 1 102 ? 59.860 53.483 -2.292 1.00 26.85 ? 102 GLU A O 1 ATOM 832 C CB . GLU A 1 102 ? 58.430 50.740 -2.711 1.00 28.34 ? 102 GLU A CB 1 ATOM 833 C CG . GLU A 1 102 ? 59.154 49.545 -2.146 1.00 35.45 ? 102 GLU A CG 1 ATOM 834 C CD . GLU A 1 102 ? 59.372 48.454 -3.187 1.00 40.41 ? 102 GLU A CD 1 ATOM 835 O OE1 . GLU A 1 102 ? 58.373 47.969 -3.775 1.00 42.25 ? 102 GLU A OE1 1 ATOM 836 O OE2 . GLU A 1 102 ? 60.545 48.081 -3.415 1.00 43.44 ? 102 GLU A OE2 1 ATOM 837 N N . VAL A 1 103 ? 60.102 52.438 -0.317 1.00 24.05 ? 103 VAL A N 1 ATOM 838 C CA . VAL A 1 103 ? 61.345 53.133 -0.007 1.00 24.01 ? 103 VAL A CA 1 ATOM 839 C C . VAL A 1 103 ? 62.415 52.132 0.415 1.00 26.05 ? 103 VAL A C 1 ATOM 840 O O . VAL A 1 103 ? 62.099 51.044 0.898 1.00 25.53 ? 103 VAL A O 1 ATOM 841 C CB . VAL A 1 103 ? 61.160 54.182 1.133 1.00 23.14 ? 103 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 103 ? 60.183 55.254 0.698 1.00 22.17 ? 103 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 103 ? 60.671 53.509 2.406 1.00 21.88 ? 103 VAL A CG2 1 ATOM 844 N N . GLY A 1 104 ? 63.679 52.505 0.223 1.00 26.65 ? 104 GLY A N 1 ATOM 845 C CA . GLY A 1 104 ? 64.779 51.634 0.598 1.00 28.43 ? 104 GLY A CA 1 ATOM 846 C C . GLY A 1 104 ? 65.091 51.739 2.080 1.00 29.90 ? 104 GLY A C 1 ATOM 847 O O . GLY A 1 104 ? 64.293 52.283 2.844 1.00 30.38 ? 104 GLY A O 1 ATOM 848 N N . SER A 1 105 ? 66.248 51.222 2.486 1.00 31.06 ? 105 SER A N 1 ATOM 849 C CA . SER A 1 105 ? 66.673 51.259 3.887 1.00 33.63 ? 105 SER A CA 1 ATOM 850 C C . SER A 1 105 ? 66.948 52.693 4.343 1.00 34.83 ? 105 SER A C 1 ATOM 851 O O . SER A 1 105 ? 66.725 53.040 5.507 1.00 35.29 ? 105 SER A O 1 ATOM 852 C CB . SER A 1 105 ? 67.959 50.453 4.081 1.00 34.12 ? 105 SER A CB 1 ATOM 853 O OG . SER A 1 105 ? 67.891 49.191 3.455 1.00 40.47 ? 105 SER A OG 1 ATOM 854 N N . ASP A 1 106 ? 67.456 53.514 3.425 1.00 34.63 ? 106 ASP A N 1 ATOM 855 C CA . ASP A 1 106 ? 67.775 54.901 3.730 1.00 34.91 ? 106 ASP A CA 1 ATOM 856 C C . ASP A 1 106 ? 66.549 55.818 3.723 1.00 34.06 ? 106 ASP A C 1 ATOM 857 O O . ASP A 1 106 ? 66.657 57.001 4.053 1.00 34.10 ? 106 ASP A O 1 ATOM 858 C CB . ASP A 1 106 ? 68.830 55.427 2.749 1.00 37.50 ? 106 ASP A CB 1 ATOM 859 C CG . ASP A 1 106 ? 68.380 55.348 1.300 1.00 39.83 ? 106 ASP A CG 1 ATOM 860 O OD1 . ASP A 1 106 ? 67.260 54.840 1.042 1.00 39.50 ? 106 ASP A OD1 1 ATOM 861 O OD2 . ASP A 1 106 ? 69.154 55.796 0.422 1.00 40.05 ? 106 ASP A OD2 1 ATOM 862 N N . GLY A 1 107 ? 65.396 55.280 3.334 1.00 30.43 ? 107 GLY A N 1 ATOM 863 C CA . GLY A 1 107 ? 64.183 56.075 3.330 1.00 29.35 ? 107 GLY A CA 1 ATOM 864 C C . GLY A 1 107 ? 63.829 56.844 2.067 1.00 28.82 ? 107 GLY A C 1 ATOM 865 O O . GLY A 1 107 ? 62.889 57.634 2.073 1.00 27.01 ? 107 GLY A O 1 ATOM 866 N N . ARG A 1 108 ? 64.566 56.632 0.984 1.00 29.84 ? 108 ARG A N 1 ATOM 867 C CA . ARG A 1 108 ? 64.273 57.329 -0.264 1.00 30.78 ? 108 ARG A CA 1 ATOM 868 C C . ARG A 1 108 ? 63.295 56.521 -1.114 1.00 30.40 ? 108 ARG A C 1 ATOM 869 O O . ARG A 1 108 ? 63.146 55.313 -0.930 1.00 31.11 ? 108 ARG A O 1 ATOM 870 C CB . ARG A 1 108 ? 65.559 57.582 -1.061 1.00 33.79 ? 108 ARG A CB 1 ATOM 871 C CG . ARG A 1 108 ? 66.562 58.519 -0.395 1.00 36.40 ? 108 ARG A CG 1 ATOM 872 C CD . ARG A 1 108 ? 67.650 58.930 -1.384 1.00 41.12 ? 108 ARG A CD 1 ATOM 873 N NE . ARG A 1 108 ? 67.630 60.364 -1.700 1.00 46.69 ? 108 ARG A NE 1 ATOM 874 C CZ . ARG A 1 108 ? 66.592 61.024 -2.218 1.00 48.44 ? 108 ARG A CZ 1 ATOM 875 N NH1 . ARG A 1 108 ? 65.451 60.392 -2.496 1.00 48.08 ? 108 ARG A NH1 1 ATOM 876 N NH2 . ARG A 1 108 ? 66.696 62.327 -2.459 1.00 47.80 ? 108 ARG A NH2 1 ATOM 877 N N . LEU A 1 109 ? 62.630 57.191 -2.048 1.00 30.18 ? 109 LEU A N 1 ATOM 878 C CA . LEU A 1 109 ? 61.664 56.531 -2.922 1.00 28.53 ? 109 LEU A CA 1 ATOM 879 C C . LEU A 1 109 ? 62.323 55.560 -3.886 1.00 28.54 ? 109 LEU A C 1 ATOM 880 O O . LEU A 1 109 ? 63.282 55.915 -4.564 1.00 28.97 ? 109 LEU A O 1 ATOM 881 C CB . LEU A 1 109 ? 60.887 57.570 -3.734 1.00 26.08 ? 109 LEU A CB 1 ATOM 882 C CG . LEU A 1 109 ? 59.723 57.037 -4.575 1.00 26.04 ? 109 LEU A CG 1 ATOM 883 C CD1 . LEU A 1 109 ? 58.658 56.419 -3.679 1.00 22.03 ? 109 LEU A CD1 1 ATOM 884 C CD2 . LEU A 1 109 ? 59.124 58.175 -5.377 1.00 26.78 ? 109 LEU A CD2 1 ATOM 885 N N . LEU A 1 110 ? 61.811 54.333 -3.938 1.00 29.49 ? 110 LEU A N 1 ATOM 886 C CA . LEU A 1 110 ? 62.322 53.319 -4.860 1.00 30.45 ? 110 LEU A CA 1 ATOM 887 C C . LEU A 1 110 ? 61.284 53.107 -5.942 1.00 31.39 ? 110 LEU A C 1 ATOM 888 O O . LEU A 1 110 ? 61.609 52.954 -7.120 1.00 32.60 ? 110 LEU A O 1 ATOM 889 C CB . LEU A 1 110 ? 62.544 51.976 -4.165 1.00 31.06 ? 110 LEU A CB 1 ATOM 890 C CG . LEU A 1 110 ? 63.790 51.731 -3.317 1.00 33.35 ? 110 LEU A CG 1 ATOM 891 C CD1 . LEU A 1 110 ? 63.752 50.288 -2.846 1.00 31.35 ? 110 LEU A CD1 1 ATOM 892 C CD2 . LEU A 1 110 ? 65.064 51.999 -4.120 1.00 30.65 ? 110 LEU A CD2 1 ATOM 893 N N . ARG A 1 111 ? 60.023 53.096 -5.536 1.00 31.85 ? 111 ARG A N 1 ATOM 894 C CA . ARG A 1 111 ? 58.954 52.870 -6.487 1.00 32.77 ? 111 ARG A CA 1 ATOM 895 C C . ARG A 1 111 ? 57.687 53.596 -6.079 1.00 32.05 ? 111 ARG A C 1 ATOM 896 O O . ARG A 1 111 ? 57.439 53.823 -4.897 1.00 32.90 ? 111 ARG A O 1 ATOM 897 C CB . ARG A 1 111 ? 58.680 51.369 -6.585 1.00 34.70 ? 111 ARG A CB 1 ATOM 898 C CG . ARG A 1 111 ? 58.030 50.920 -7.869 1.00 40.15 ? 111 ARG A CG 1 ATOM 899 C CD . ARG A 1 111 ? 58.194 49.420 -8.029 1.00 46.10 ? 111 ARG A CD 1 ATOM 900 N NE . ARG A 1 111 ? 57.435 48.684 -7.022 1.00 53.10 ? 111 ARG A NE 1 ATOM 901 C CZ . ARG A 1 111 ? 56.254 48.110 -7.243 1.00 55.37 ? 111 ARG A CZ 1 ATOM 902 N NH1 . ARG A 1 111 ? 55.691 48.175 -8.446 1.00 55.91 ? 111 ARG A NH1 1 ATOM 903 N NH2 . ARG A 1 111 ? 55.626 47.485 -6.253 1.00 57.23 ? 111 ARG A NH2 1 ATOM 904 N N . GLY A 1 112 ? 56.895 53.971 -7.072 1.00 30.52 ? 112 GLY A N 1 ATOM 905 C CA . GLY A 1 112 ? 55.637 54.633 -6.804 1.00 29.62 ? 112 GLY A CA 1 ATOM 906 C C . GLY A 1 112 ? 54.616 53.945 -7.680 1.00 28.94 ? 112 GLY A C 1 ATOM 907 O O . GLY A 1 112 ? 54.941 53.555 -8.798 1.00 29.94 ? 112 GLY A O 1 ATOM 908 N N . TYR A 1 113 ? 53.396 53.764 -7.195 1.00 27.94 ? 113 TYR A N 1 ATOM 909 C CA . TYR A 1 113 ? 52.391 53.124 -8.027 1.00 28.24 ? 113 TYR A CA 1 ATOM 910 C C . TYR A 1 113 ? 50.951 53.558 -7.783 1.00 28.27 ? 113 TYR A C 1 ATOM 911 O O . TYR A 1 113 ? 50.561 53.902 -6.663 1.00 28.08 ? 113 TYR A O 1 ATOM 912 C CB . TYR A 1 113 ? 52.507 51.600 -7.922 1.00 28.50 ? 113 TYR A CB 1 ATOM 913 C CG . TYR A 1 113 ? 52.789 51.091 -6.537 1.00 28.65 ? 113 TYR A CG 1 ATOM 914 C CD1 . TYR A 1 113 ? 51.860 51.244 -5.516 1.00 29.34 ? 113 TYR A CD1 1 ATOM 915 C CD2 . TYR A 1 113 ? 53.998 50.465 -6.244 1.00 29.00 ? 113 TYR A CD2 1 ATOM 916 C CE1 . TYR A 1 113 ? 52.130 50.788 -4.229 1.00 32.31 ? 113 TYR A CE1 1 ATOM 917 C CE2 . TYR A 1 113 ? 54.279 50.007 -4.970 1.00 31.02 ? 113 TYR A CE2 1 ATOM 918 C CZ . TYR A 1 113 ? 53.343 50.171 -3.966 1.00 33.00 ? 113 TYR A CZ 1 ATOM 919 O OH . TYR A 1 113 ? 53.624 49.737 -2.692 1.00 36.23 ? 113 TYR A OH 1 ATOM 920 N N . GLN A 1 114 ? 50.181 53.540 -8.869 1.00 27.15 ? 114 GLN A N 1 ATOM 921 C CA . GLN A 1 114 ? 48.768 53.904 -8.889 1.00 26.67 ? 114 GLN A CA 1 ATOM 922 C C . GLN A 1 114 ? 48.151 53.027 -9.985 1.00 25.80 ? 114 GLN A C 1 ATOM 923 O O . GLN A 1 114 ? 48.315 53.298 -11.172 1.00 24.91 ? 114 GLN A O 1 ATOM 924 C CB . GLN A 1 114 ? 48.608 55.391 -9.249 1.00 27.50 ? 114 GLN A CB 1 ATOM 925 C CG . GLN A 1 114 ? 47.165 55.882 -9.334 1.00 25.98 ? 114 GLN A CG 1 ATOM 926 C CD . GLN A 1 114 ? 46.624 56.357 -7.998 1.00 27.51 ? 114 GLN A CD 1 ATOM 927 O OE1 . GLN A 1 114 ? 47.005 55.848 -6.948 1.00 29.21 ? 114 GLN A OE1 1 ATOM 928 N NE2 . GLN A 1 114 ? 45.719 57.329 -8.035 1.00 24.40 ? 114 GLN A NE2 1 ATOM 929 N N . GLN A 1 115 ? 47.447 51.975 -9.586 1.00 26.04 ? 115 GLN A N 1 ATOM 930 C CA . GLN A 1 115 ? 46.845 51.065 -10.550 1.00 26.94 ? 115 GLN A CA 1 ATOM 931 C C . GLN A 1 115 ? 45.354 50.844 -10.345 1.00 25.35 ? 115 GLN A C 1 ATOM 932 O O . GLN A 1 115 ? 44.910 50.499 -9.254 1.00 25.40 ? 115 GLN A O 1 ATOM 933 C CB . GLN A 1 115 ? 47.582 49.721 -10.517 1.00 29.38 ? 115 GLN A CB 1 ATOM 934 C CG . GLN A 1 115 ? 49.019 49.820 -11.018 1.00 35.30 ? 115 GLN A CG 1 ATOM 935 C CD . GLN A 1 115 ? 49.924 48.668 -10.567 1.00 37.83 ? 115 GLN A CD 1 ATOM 936 O OE1 . GLN A 1 115 ? 51.120 48.650 -10.878 1.00 38.88 ? 115 GLN A OE1 1 ATOM 937 N NE2 . GLN A 1 115 ? 49.360 47.711 -9.835 1.00 38.57 ? 115 GLN A NE2 1 ATOM 938 N N . TYR A 1 116 ? 44.593 51.053 -11.415 1.00 24.48 ? 116 TYR A N 1 ATOM 939 C CA . TYR A 1 116 ? 43.145 50.876 -11.407 1.00 22.98 ? 116 TYR A CA 1 ATOM 940 C C . TYR A 1 116 ? 42.736 49.669 -12.256 1.00 20.37 ? 116 TYR A C 1 ATOM 941 O O . TYR A 1 116 ? 43.409 49.316 -13.216 1.00 19.21 ? 116 TYR A O 1 ATOM 942 C CB . TYR A 1 116 ? 42.438 52.098 -11.994 1.00 24.34 ? 116 TYR A CB 1 ATOM 943 C CG . TYR A 1 116 ? 42.393 53.357 -11.156 1.00 24.42 ? 116 TYR A CG 1 ATOM 944 C CD1 . TYR A 1 116 ? 43.503 54.200 -11.043 1.00 23.29 ? 116 TYR A CD1 1 ATOM 945 C CD2 . TYR A 1 116 ? 41.193 53.764 -10.572 1.00 23.99 ? 116 TYR A CD2 1 ATOM 946 C CE1 . TYR A 1 116 ? 43.404 55.427 -10.382 1.00 23.49 ? 116 TYR A CE1 1 ATOM 947 C CE2 . TYR A 1 116 ? 41.083 54.971 -9.916 1.00 24.67 ? 116 TYR A CE2 1 ATOM 948 C CZ . TYR A 1 116 ? 42.185 55.802 -9.824 1.00 25.35 ? 116 TYR A CZ 1 ATOM 949 O OH . TYR A 1 116 ? 42.032 57.013 -9.190 1.00 25.25 ? 116 TYR A OH 1 ATOM 950 N N . ALA A 1 117 ? 41.602 49.069 -11.906 1.00 19.74 ? 117 ALA A N 1 ATOM 951 C CA . ALA A 1 117 ? 41.058 47.919 -12.622 1.00 16.44 ? 117 ALA A CA 1 ATOM 952 C C . ALA A 1 117 ? 39.542 48.038 -12.603 1.00 16.75 ? 117 ALA A C 1 ATOM 953 O O . ALA A 1 117 ? 38.973 48.562 -11.643 1.00 14.89 ? 117 ALA A O 1 ATOM 954 C CB . ALA A 1 117 ? 41.477 46.630 -11.941 1.00 13.69 ? 117 ALA A CB 1 ATOM 955 N N . TYR A 1 118 ? 38.890 47.575 -13.666 1.00 17.78 ? 118 TYR A N 1 ATOM 956 C CA . TYR A 1 118 ? 37.430 47.612 -13.732 1.00 19.67 ? 118 TYR A CA 1 ATOM 957 C C . TYR A 1 118 ? 36.896 46.197 -13.925 1.00 21.16 ? 118 TYR A C 1 ATOM 958 O O . TYR A 1 118 ? 37.317 45.476 -14.825 1.00 21.36 ? 118 TYR A O 1 ATOM 959 C CB . TYR A 1 118 ? 36.953 48.508 -14.875 1.00 20.07 ? 118 TYR A CB 1 ATOM 960 C CG . TYR A 1 118 ? 35.444 48.640 -14.930 1.00 24.76 ? 118 TYR A CG 1 ATOM 961 C CD1 . TYR A 1 118 ? 34.699 48.824 -13.760 1.00 23.64 ? 118 TYR A CD1 1 ATOM 962 C CD2 . TYR A 1 118 ? 34.759 48.615 -16.147 1.00 23.85 ? 118 TYR A CD2 1 ATOM 963 C CE1 . TYR A 1 118 ? 33.327 48.980 -13.800 1.00 21.78 ? 118 TYR A CE1 1 ATOM 964 C CE2 . TYR A 1 118 ? 33.381 48.772 -16.193 1.00 22.42 ? 118 TYR A CE2 1 ATOM 965 C CZ . TYR A 1 118 ? 32.673 48.957 -15.016 1.00 23.47 ? 118 TYR A CZ 1 ATOM 966 O OH . TYR A 1 118 ? 31.306 49.141 -15.050 1.00 25.56 ? 118 TYR A OH 1 ATOM 967 N N . ASP A 1 119 ? 35.961 45.803 -13.075 1.00 23.42 ? 119 ASP A N 1 ATOM 968 C CA . ASP A 1 119 ? 35.396 44.462 -13.136 1.00 26.42 ? 119 ASP A CA 1 ATOM 969 C C . ASP A 1 119 ? 36.485 43.387 -13.216 1.00 25.97 ? 119 ASP A C 1 ATOM 970 O O . ASP A 1 119 ? 36.391 42.452 -14.009 1.00 25.59 ? 119 ASP A O 1 ATOM 971 C CB . ASP A 1 119 ? 34.426 44.332 -14.318 1.00 29.49 ? 119 ASP A CB 1 ATOM 972 C CG . ASP A 1 119 ? 33.141 45.138 -14.114 1.00 35.64 ? 119 ASP A CG 1 ATOM 973 O OD1 . ASP A 1 119 ? 32.547 45.061 -13.009 1.00 35.83 ? 119 ASP A OD1 1 ATOM 974 O OD2 . ASP A 1 119 ? 32.718 45.843 -15.060 1.00 37.69 ? 119 ASP A OD2 1 ATOM 975 N N . GLY A 1 120 ? 37.521 43.540 -12.390 1.00 25.52 ? 120 GLY A N 1 ATOM 976 C CA . GLY A 1 120 ? 38.603 42.570 -12.339 1.00 24.25 ? 120 GLY A CA 1 ATOM 977 C C . GLY A 1 120 ? 39.640 42.610 -13.441 1.00 24.95 ? 120 GLY A C 1 ATOM 978 O O . GLY A 1 120 ? 40.465 41.704 -13.537 1.00 24.26 ? 120 GLY A O 1 ATOM 979 N N . CYS A 1 121 ? 39.621 43.652 -14.266 1.00 26.48 ? 121 CYS A N 1 ATOM 980 C CA . CYS A 1 121 ? 40.571 43.755 -15.372 1.00 27.95 ? 121 CYS A CA 1 ATOM 981 C C . CYS A 1 121 ? 41.293 45.080 -15.419 1.00 27.63 ? 121 CYS A C 1 ATOM 982 O O . CYS A 1 121 ? 40.730 46.114 -15.055 1.00 29.38 ? 121 CYS A O 1 ATOM 983 C CB . CYS A 1 121 ? 39.859 43.565 -16.715 1.00 30.32 ? 121 CYS A CB 1 ATOM 984 S SG . CYS A 1 121 ? 39.250 41.911 -17.057 1.00 37.45 ? 121 CYS A SG 1 ATOM 985 N N . ASP A 1 122 ? 42.535 45.039 -15.899 1.00 27.71 ? 122 ASP A N 1 ATOM 986 C CA . ASP A 1 122 ? 43.368 46.231 -16.038 1.00 27.40 ? 122 ASP A CA 1 ATOM 987 C C . ASP A 1 122 ? 42.578 47.331 -16.711 1.00 25.74 ? 122 ASP A C 1 ATOM 988 O O . ASP A 1 122 ? 41.899 47.100 -17.713 1.00 23.61 ? 122 ASP A O 1 ATOM 989 C CB . ASP A 1 122 ? 44.600 45.939 -16.899 1.00 31.32 ? 122 ASP A CB 1 ATOM 990 C CG . ASP A 1 122 ? 45.711 45.258 -16.128 1.00 35.31 ? 122 ASP A CG 1 ATOM 991 O OD1 . ASP A 1 122 ? 45.400 44.435 -15.243 1.00 37.94 ? 122 ASP A OD1 1 ATOM 992 O OD2 . ASP A 1 122 ? 46.898 45.538 -16.416 1.00 37.06 ? 122 ASP A OD2 1 ATOM 993 N N . TYR A 1 123 ? 42.657 48.525 -16.143 1.00 24.91 ? 123 TYR A N 1 ATOM 994 C CA . TYR A 1 123 ? 41.981 49.670 -16.712 1.00 23.24 ? 123 TYR A CA 1 ATOM 995 C C . TYR A 1 123 ? 43.085 50.643 -17.093 1.00 23.22 ? 123 TYR A C 1 ATOM 996 O O . TYR A 1 123 ? 43.418 50.796 -18.269 1.00 24.50 ? 123 TYR A O 1 ATOM 997 C CB . TYR A 1 123 ? 41.033 50.313 -15.696 1.00 22.67 ? 123 TYR A CB 1 ATOM 998 C CG . TYR A 1 123 ? 40.201 51.441 -16.280 1.00 21.30 ? 123 TYR A CG 1 ATOM 999 C CD1 . TYR A 1 123 ? 39.206 51.186 -17.230 1.00 20.00 ? 123 TYR A CD1 1 ATOM 1000 C CD2 . TYR A 1 123 ? 40.440 52.763 -15.919 1.00 18.03 ? 123 TYR A CD2 1 ATOM 1001 C CE1 . TYR A 1 123 ? 38.475 52.227 -17.802 1.00 18.87 ? 123 TYR A CE1 1 ATOM 1002 C CE2 . TYR A 1 123 ? 39.721 53.806 -16.480 1.00 17.42 ? 123 TYR A CE2 1 ATOM 1003 C CZ . TYR A 1 123 ? 38.743 53.538 -17.422 1.00 18.30 ? 123 TYR A CZ 1 ATOM 1004 O OH . TYR A 1 123 ? 38.047 54.589 -17.981 1.00 15.56 ? 123 TYR A OH 1 ATOM 1005 N N . ILE A 1 124 ? 43.678 51.274 -16.089 1.00 22.65 ? 124 ILE A N 1 ATOM 1006 C CA . ILE A 1 124 ? 44.741 52.234 -16.329 1.00 20.65 ? 124 ILE A CA 1 ATOM 1007 C C . ILE A 1 124 ? 45.787 52.117 -15.220 1.00 20.77 ? 124 ILE A C 1 ATOM 1008 O O . ILE A 1 124 ? 45.506 51.597 -14.138 1.00 18.32 ? 124 ILE A O 1 ATOM 1009 C CB . ILE A 1 124 ? 44.170 53.668 -16.368 1.00 18.81 ? 124 ILE A CB 1 ATOM 1010 C CG1 . ILE A 1 124 ? 45.140 54.607 -17.089 1.00 20.19 ? 124 ILE A CG1 1 ATOM 1011 C CG2 . ILE A 1 124 ? 43.924 54.164 -14.949 1.00 18.46 ? 124 ILE A CG2 1 ATOM 1012 C CD1 . ILE A 1 124 ? 44.576 56.001 -17.354 1.00 17.49 ? 124 ILE A CD1 1 ATOM 1013 N N . ALA A 1 125 ? 46.995 52.596 -15.496 1.00 22.09 ? 125 ALA A N 1 ATOM 1014 C CA . ALA A 1 125 ? 48.078 52.543 -14.521 1.00 22.08 ? 125 ALA A CA 1 ATOM 1015 C C . ALA A 1 125 ? 49.145 53.590 -14.801 1.00 22.68 ? 125 ALA A C 1 ATOM 1016 O O . ALA A 1 125 ? 49.427 53.916 -15.961 1.00 21.61 ? 125 ALA A O 1 ATOM 1017 C CB . ALA A 1 125 ? 48.714 51.157 -14.523 1.00 21.23 ? 125 ALA A CB 1 ATOM 1018 N N . LEU A 1 126 ? 49.732 54.121 -13.732 1.00 22.87 ? 126 LEU A N 1 ATOM 1019 C CA . LEU A 1 126 ? 50.800 55.100 -13.866 1.00 23.58 ? 126 LEU A CA 1 ATOM 1020 C C . LEU A 1 126 ? 52.075 54.304 -14.140 1.00 25.81 ? 126 LEU A C 1 ATOM 1021 O O . LEU A 1 126 ? 52.382 53.358 -13.412 1.00 25.23 ? 126 LEU A O 1 ATOM 1022 C CB . LEU A 1 126 ? 50.959 55.897 -12.572 1.00 20.83 ? 126 LEU A CB 1 ATOM 1023 C CG . LEU A 1 126 ? 52.078 56.942 -12.572 1.00 18.67 ? 126 LEU A CG 1 ATOM 1024 C CD1 . LEU A 1 126 ? 51.746 58.070 -13.529 1.00 17.25 ? 126 LEU A CD1 1 ATOM 1025 C CD2 . LEU A 1 126 ? 52.255 57.481 -11.182 1.00 17.86 ? 126 LEU A CD2 1 ATOM 1026 N N . ASN A 1 127 ? 52.803 54.665 -15.194 1.00 29.20 ? 127 ASN A N 1 ATOM 1027 C CA . ASN A 1 127 ? 54.042 53.959 -15.527 1.00 33.06 ? 127 ASN A CA 1 ATOM 1028 C C . ASN A 1 127 ? 55.145 54.259 -14.513 1.00 36.28 ? 127 ASN A C 1 ATOM 1029 O O . ASN A 1 127 ? 55.066 55.239 -13.766 1.00 37.58 ? 127 ASN A O 1 ATOM 1030 C CB . ASN A 1 127 ? 54.519 54.330 -16.930 1.00 30.28 ? 127 ASN A CB 1 ATOM 1031 C CG . ASN A 1 127 ? 53.530 53.934 -17.998 1.00 30.61 ? 127 ASN A CG 1 ATOM 1032 O OD1 . ASN A 1 127 ? 52.975 52.835 -17.972 1.00 30.11 ? 127 ASN A OD1 1 ATOM 1033 N ND2 . ASN A 1 127 ? 53.308 54.826 -18.955 1.00 29.20 ? 127 ASN A ND2 1 ATOM 1034 N N . GLU A 1 128 ? 56.173 53.416 -14.494 1.00 38.86 ? 128 GLU A N 1 ATOM 1035 C CA . GLU A 1 128 ? 57.278 53.570 -13.552 1.00 41.04 ? 128 GLU A CA 1 ATOM 1036 C C . GLU A 1 128 ? 57.944 54.945 -13.590 1.00 39.63 ? 128 GLU A C 1 ATOM 1037 O O . GLU A 1 128 ? 58.571 55.355 -12.617 1.00 40.04 ? 128 GLU A O 1 ATOM 1038 C CB . GLU A 1 128 ? 58.323 52.480 -13.793 1.00 44.41 ? 128 GLU A CB 1 ATOM 1039 C CG . GLU A 1 128 ? 57.719 51.099 -14.018 1.00 53.64 ? 128 GLU A CG 1 ATOM 1040 C CD . GLU A 1 128 ? 58.765 49.993 -14.063 1.00 59.19 ? 128 GLU A CD 1 ATOM 1041 O OE1 . GLU A 1 128 ? 59.921 50.272 -14.468 1.00 61.82 ? 128 GLU A OE1 1 ATOM 1042 O OE2 . GLU A 1 128 ? 58.425 48.839 -13.708 1.00 62.38 ? 128 GLU A OE2 1 ATOM 1043 N N . ASP A 1 129 ? 57.807 55.655 -14.705 1.00 38.32 ? 129 ASP A N 1 ATOM 1044 C CA . ASP A 1 129 ? 58.407 56.981 -14.831 1.00 38.50 ? 129 ASP A CA 1 ATOM 1045 C C . ASP A 1 129 ? 57.639 58.035 -14.035 1.00 37.99 ? 129 ASP A C 1 ATOM 1046 O O . ASP A 1 129 ? 58.142 59.134 -13.799 1.00 37.43 ? 129 ASP A O 1 ATOM 1047 C CB . ASP A 1 129 ? 58.470 57.411 -16.303 1.00 39.16 ? 129 ASP A CB 1 ATOM 1048 C CG . ASP A 1 129 ? 57.100 57.426 -16.974 1.00 40.29 ? 129 ASP A CG 1 ATOM 1049 O OD1 . ASP A 1 129 ? 56.089 57.670 -16.276 1.00 39.56 ? 129 ASP A OD1 1 ATOM 1050 O OD2 . ASP A 1 129 ? 57.037 57.207 -18.205 1.00 39.34 ? 129 ASP A OD2 1 ATOM 1051 N N . LEU A 1 130 ? 56.415 57.696 -13.637 1.00 37.06 ? 130 LEU A N 1 ATOM 1052 C CA . LEU A 1 130 ? 55.569 58.601 -12.869 1.00 36.62 ? 130 LEU A CA 1 ATOM 1053 C C . LEU A 1 130 ? 55.191 59.849 -13.670 1.00 36.56 ? 130 LEU A C 1 ATOM 1054 O O . LEU A 1 130 ? 54.880 60.893 -13.096 1.00 36.98 ? 130 LEU A O 1 ATOM 1055 C CB . LEU A 1 130 ? 56.280 59.017 -11.575 1.00 36.47 ? 130 LEU A CB 1 ATOM 1056 C CG . LEU A 1 130 ? 56.926 57.914 -10.727 1.00 36.09 ? 130 LEU A CG 1 ATOM 1057 C CD1 . LEU A 1 130 ? 57.578 58.551 -9.513 1.00 34.73 ? 130 LEU A CD1 1 ATOM 1058 C CD2 . LEU A 1 130 ? 55.891 56.879 -10.299 1.00 35.32 ? 130 LEU A CD2 1 ATOM 1059 N N . LYS A 1 131 ? 55.215 59.738 -14.995 1.00 36.64 ? 131 LYS A N 1 ATOM 1060 C CA . LYS A 1 131 ? 54.872 60.863 -15.864 1.00 36.15 ? 131 LYS A CA 1 ATOM 1061 C C . LYS A 1 131 ? 53.814 60.485 -16.902 1.00 35.03 ? 131 LYS A C 1 ATOM 1062 O O . LYS A 1 131 ? 52.997 61.316 -17.296 1.00 36.86 ? 131 LYS A O 1 ATOM 1063 C CB . LYS A 1 131 ? 56.111 61.379 -16.603 1.00 37.13 ? 131 LYS A CB 1 ATOM 1064 C CG . LYS A 1 131 ? 57.307 61.750 -15.735 1.00 39.53 ? 131 LYS A CG 1 ATOM 1065 C CD . LYS A 1 131 ? 58.307 62.582 -16.548 1.00 42.68 ? 131 LYS A CD 1 ATOM 1066 C CE . LYS A 1 131 ? 59.628 62.810 -15.816 1.00 44.51 ? 131 LYS A CE 1 ATOM 1067 N NZ . LYS A 1 131 ? 60.489 61.592 -15.832 1.00 45.22 ? 131 LYS A NZ 1 ATOM 1068 N N . THR A 1 132 ? 53.831 59.234 -17.348 1.00 32.65 ? 132 THR A N 1 ATOM 1069 C CA . THR A 1 132 ? 52.877 58.781 -18.355 1.00 31.97 ? 132 THR A CA 1 ATOM 1070 C C . THR A 1 132 ? 52.006 57.616 -17.896 1.00 31.34 ? 132 THR A C 1 ATOM 1071 O O . THR A 1 132 ? 52.378 56.870 -16.990 1.00 32.22 ? 132 THR A O 1 ATOM 1072 C CB . THR A 1 132 ? 53.603 58.384 -19.652 1.00 31.61 ? 132 THR A CB 1 ATOM 1073 O OG1 . THR A 1 132 ? 54.612 57.409 -19.361 1.00 30.92 ? 132 THR A OG1 1 ATOM 1074 C CG2 . THR A 1 132 ? 54.251 59.610 -20.284 1.00 29.79 ? 132 THR A CG2 1 ATOM 1075 N N . TRP A 1 133 ? 50.847 57.467 -18.533 1.00 29.84 ? 133 TRP A N 1 ATOM 1076 C CA . TRP A 1 133 ? 49.905 56.410 -18.182 1.00 29.43 ? 133 TRP A CA 1 ATOM 1077 C C . TRP A 1 133 ? 49.805 55.322 -19.244 1.00 29.99 ? 133 TRP A C 1 ATOM 1078 O O . TRP A 1 133 ? 50.138 55.536 -20.407 1.00 31.57 ? 133 TRP A O 1 ATOM 1079 C CB . TRP A 1 133 ? 48.501 56.984 -17.977 1.00 26.53 ? 133 TRP A CB 1 ATOM 1080 C CG . TRP A 1 133 ? 48.429 58.170 -17.086 1.00 27.76 ? 133 TRP A CG 1 ATOM 1081 C CD1 . TRP A 1 133 ? 48.535 59.482 -17.455 1.00 27.26 ? 133 TRP A CD1 1 ATOM 1082 C CD2 . TRP A 1 133 ? 48.228 58.167 -15.664 1.00 28.35 ? 133 TRP A CD2 1 ATOM 1083 N NE1 . TRP A 1 133 ? 48.411 60.298 -16.353 1.00 27.52 ? 133 TRP A NE1 1 ATOM 1084 C CE2 . TRP A 1 133 ? 48.220 59.520 -15.239 1.00 26.81 ? 133 TRP A CE2 1 ATOM 1085 C CE3 . TRP A 1 133 ? 48.052 57.157 -14.705 1.00 26.20 ? 133 TRP A CE3 1 ATOM 1086 C CZ2 . TRP A 1 133 ? 48.048 59.888 -13.902 1.00 25.81 ? 133 TRP A CZ2 1 ATOM 1087 C CZ3 . TRP A 1 133 ? 47.880 57.524 -13.374 1.00 26.58 ? 133 TRP A CZ3 1 ATOM 1088 C CH2 . TRP A 1 133 ? 47.878 58.881 -12.986 1.00 25.99 ? 133 TRP A CH2 1 ATOM 1089 N N . THR A 1 134 ? 49.333 54.152 -18.838 1.00 28.13 ? 134 THR A N 1 ATOM 1090 C CA . THR A 1 134 ? 49.145 53.071 -19.779 1.00 29.34 ? 134 THR A CA 1 ATOM 1091 C C . THR A 1 134 ? 47.699 52.611 -19.654 1.00 29.07 ? 134 THR A C 1 ATOM 1092 O O . THR A 1 134 ? 47.276 52.153 -18.595 1.00 29.31 ? 134 THR A O 1 ATOM 1093 C CB . THR A 1 134 ? 50.118 51.898 -19.517 1.00 32.02 ? 134 THR A CB 1 ATOM 1094 O OG1 . THR A 1 134 ? 49.854 50.852 -20.457 1.00 35.99 ? 134 THR A OG1 1 ATOM 1095 C CG2 . THR A 1 134 ? 49.965 51.352 -18.107 1.00 35.44 ? 134 THR A CG2 1 ATOM 1096 N N . ALA A 1 135 ? 46.938 52.763 -20.739 1.00 29.03 ? 135 ALA A N 1 ATOM 1097 C CA . ALA A 1 135 ? 45.527 52.388 -20.774 1.00 27.21 ? 135 ALA A CA 1 ATOM 1098 C C . ALA A 1 135 ? 45.340 50.977 -21.326 1.00 27.14 ? 135 ALA A C 1 ATOM 1099 O O . ALA A 1 135 ? 45.949 50.621 -22.330 1.00 27.99 ? 135 ALA A O 1 ATOM 1100 C CB . ALA A 1 135 ? 44.757 53.392 -21.614 1.00 27.00 ? 135 ALA A CB 1 ATOM 1101 N N . ALA A 1 136 ? 44.493 50.183 -20.671 1.00 26.44 ? 136 ALA A N 1 ATOM 1102 C CA . ALA A 1 136 ? 44.246 48.798 -21.080 1.00 27.66 ? 136 ALA A CA 1 ATOM 1103 C C . ALA A 1 136 ? 43.264 48.649 -22.241 1.00 28.85 ? 136 ALA A C 1 ATOM 1104 O O . ALA A 1 136 ? 43.346 47.689 -23.006 1.00 29.16 ? 136 ALA A O 1 ATOM 1105 C CB . ALA A 1 136 ? 43.762 47.981 -19.888 1.00 25.36 ? 136 ALA A CB 1 ATOM 1106 N N . ASP A 1 137 ? 42.325 49.582 -22.356 1.00 29.74 ? 137 ASP A N 1 ATOM 1107 C CA . ASP A 1 137 ? 41.347 49.553 -23.436 1.00 29.89 ? 137 ASP A CA 1 ATOM 1108 C C . ASP A 1 137 ? 40.932 50.964 -23.830 1.00 30.94 ? 137 ASP A C 1 ATOM 1109 O O . ASP A 1 137 ? 41.415 51.946 -23.264 1.00 32.27 ? 137 ASP A O 1 ATOM 1110 C CB . ASP A 1 137 ? 40.114 48.744 -23.038 1.00 30.34 ? 137 ASP A CB 1 ATOM 1111 C CG . ASP A 1 137 ? 39.390 49.325 -21.837 1.00 32.20 ? 137 ASP A CG 1 ATOM 1112 O OD1 . ASP A 1 137 ? 39.301 50.566 -21.732 1.00 31.17 ? 137 ASP A OD1 1 ATOM 1113 O OD2 . ASP A 1 137 ? 38.895 48.533 -21.004 1.00 33.35 ? 137 ASP A OD2 1 ATOM 1114 N N . MET A 1 138 ? 40.032 51.067 -24.797 1.00 31.96 ? 138 MET A N 1 ATOM 1115 C CA . MET A 1 138 ? 39.586 52.372 -25.262 1.00 33.34 ? 138 MET A CA 1 ATOM 1116 C C . MET A 1 138 ? 38.886 53.209 -24.191 1.00 32.21 ? 138 MET A C 1 ATOM 1117 O O . MET A 1 138 ? 38.968 54.441 -24.210 1.00 32.10 ? 138 MET A O 1 ATOM 1118 C CB . MET A 1 138 ? 38.705 52.203 -26.501 1.00 34.78 ? 138 MET A CB 1 ATOM 1119 C CG . MET A 1 138 ? 39.523 51.908 -27.755 1.00 37.13 ? 138 MET A CG 1 ATOM 1120 S SD . MET A 1 138 ? 38.536 51.432 -29.182 1.00 44.52 ? 138 MET A SD 1 ATOM 1121 C CE . MET A 1 138 ? 37.710 53.048 -29.589 1.00 43.08 ? 138 MET A CE 1 ATOM 1122 N N . ALA A 1 139 ? 38.208 52.551 -23.256 1.00 29.86 ? 139 ALA A N 1 ATOM 1123 C CA . ALA A 1 139 ? 37.538 53.270 -22.177 1.00 28.32 ? 139 ALA A CA 1 ATOM 1124 C C . ALA A 1 139 ? 38.588 53.995 -21.332 1.00 27.60 ? 139 ALA A C 1 ATOM 1125 O O . ALA A 1 139 ? 38.460 55.186 -21.060 1.00 28.41 ? 139 ALA A O 1 ATOM 1126 C CB . ALA A 1 139 ? 36.752 52.305 -21.306 1.00 27.66 ? 139 ALA A CB 1 ATOM 1127 N N . ALA A 1 140 ? 39.629 53.276 -20.924 1.00 26.39 ? 140 ALA A N 1 ATOM 1128 C CA . ALA A 1 140 ? 40.687 53.873 -20.112 1.00 25.95 ? 140 ALA A CA 1 ATOM 1129 C C . ALA A 1 140 ? 41.420 54.951 -20.885 1.00 25.18 ? 140 ALA A C 1 ATOM 1130 O O . ALA A 1 140 ? 42.017 55.848 -20.296 1.00 24.75 ? 140 ALA A O 1 ATOM 1131 C CB . ALA A 1 140 ? 41.673 52.808 -19.662 1.00 24.83 ? 140 ALA A CB 1 ATOM 1132 N N . LEU A 1 141 ? 41.377 54.853 -22.209 1.00 24.70 ? 141 LEU A N 1 ATOM 1133 C CA . LEU A 1 141 ? 42.046 55.828 -23.057 1.00 25.66 ? 141 LEU A CA 1 ATOM 1134 C C . LEU A 1 141 ? 41.395 57.205 -22.914 1.00 25.58 ? 141 LEU A C 1 ATOM 1135 O O . LEU A 1 141 ? 42.034 58.231 -23.128 1.00 25.95 ? 141 LEU A O 1 ATOM 1136 C CB . LEU A 1 141 ? 42.005 55.366 -24.517 1.00 25.19 ? 141 LEU A CB 1 ATOM 1137 C CG . LEU A 1 141 ? 42.902 56.096 -25.517 1.00 22.84 ? 141 LEU A CG 1 ATOM 1138 C CD1 . LEU A 1 141 ? 44.331 56.039 -25.051 1.00 23.65 ? 141 LEU A CD1 1 ATOM 1139 C CD2 . LEU A 1 141 ? 42.781 55.454 -26.882 1.00 24.56 ? 141 LEU A CD2 1 ATOM 1140 N N . ILE A 1 142 ? 40.121 57.217 -22.542 1.00 25.85 ? 142 ILE A N 1 ATOM 1141 C CA . ILE A 1 142 ? 39.388 58.459 -22.359 1.00 24.72 ? 142 ILE A CA 1 ATOM 1142 C C . ILE A 1 142 ? 39.869 59.109 -21.091 1.00 24.10 ? 142 ILE A C 1 ATOM 1143 O O . ILE A 1 142 ? 40.090 60.320 -21.050 1.00 24.15 ? 142 ILE A O 1 ATOM 1144 C CB . ILE A 1 142 ? 37.874 58.205 -22.224 1.00 27.81 ? 142 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 142 ? 37.316 57.665 -23.545 1.00 27.60 ? 142 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 142 ? 37.157 59.495 -21.817 1.00 26.60 ? 142 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 142 ? 35.878 57.202 -23.444 1.00 30.53 ? 142 ILE A CD1 1 ATOM 1148 N N . THR A 1 143 ? 40.016 58.294 -20.049 1.00 24.35 ? 143 THR A N 1 ATOM 1149 C CA . THR A 1 143 ? 40.484 58.776 -18.753 1.00 24.45 ? 143 THR A CA 1 ATOM 1150 C C . THR A 1 143 ? 41.889 59.323 -18.907 1.00 25.69 ? 143 THR A C 1 ATOM 1151 O O . THR A 1 143 ? 42.234 60.345 -18.328 1.00 27.18 ? 143 THR A O 1 ATOM 1152 C CB . THR A 1 143 ? 40.560 57.652 -17.702 1.00 24.83 ? 143 THR A CB 1 ATOM 1153 O OG1 . THR A 1 143 ? 39.254 57.105 -17.461 1.00 21.28 ? 143 THR A OG1 1 ATOM 1154 C CG2 . THR A 1 143 ? 41.150 58.200 -16.402 1.00 22.11 ? 143 THR A CG2 1 ATOM 1155 N N . LYS A 1 144 ? 42.695 58.615 -19.690 1.00 27.68 ? 144 LYS A N 1 ATOM 1156 C CA . LYS A 1 144 ? 44.075 58.999 -19.928 1.00 28.68 ? 144 LYS A CA 1 ATOM 1157 C C . LYS A 1 144 ? 44.144 60.402 -20.521 1.00 30.83 ? 144 LYS A C 1 ATOM 1158 O O . LYS A 1 144 ? 44.950 61.230 -20.088 1.00 30.30 ? 144 LYS A O 1 ATOM 1159 C CB . LYS A 1 144 ? 44.738 57.979 -20.856 1.00 27.06 ? 144 LYS A CB 1 ATOM 1160 C CG . LYS A 1 144 ? 46.203 58.234 -21.174 1.00 24.24 ? 144 LYS A CG 1 ATOM 1161 C CD . LYS A 1 144 ? 46.722 57.113 -22.074 1.00 26.46 ? 144 LYS A CD 1 ATOM 1162 C CE . LYS A 1 144 ? 48.212 57.198 -22.320 1.00 27.34 ? 144 LYS A CE 1 ATOM 1163 N NZ . LYS A 1 144 ? 48.585 58.463 -22.994 1.00 27.68 ? 144 LYS A NZ 1 ATOM 1164 N N . HIS A 1 145 ? 43.284 60.678 -21.495 1.00 32.46 ? 145 HIS A N 1 ATOM 1165 C CA . HIS A 1 145 ? 43.266 61.992 -22.123 1.00 35.07 ? 145 HIS A CA 1 ATOM 1166 C C . HIS A 1 145 ? 42.908 63.086 -21.112 1.00 35.23 ? 145 HIS A C 1 ATOM 1167 O O . HIS A 1 145 ? 43.492 64.175 -21.140 1.00 35.22 ? 145 HIS A O 1 ATOM 1168 C CB . HIS A 1 145 ? 42.264 62.030 -23.276 1.00 38.65 ? 145 HIS A CB 1 ATOM 1169 C CG . HIS A 1 145 ? 42.577 61.087 -24.398 1.00 42.15 ? 145 HIS A CG 1 ATOM 1170 N ND1 . HIS A 1 145 ? 43.857 60.653 -24.678 1.00 44.58 ? 145 HIS A ND1 1 ATOM 1171 C CD2 . HIS A 1 145 ? 41.780 60.526 -25.339 1.00 43.09 ? 145 HIS A CD2 1 ATOM 1172 C CE1 . HIS A 1 145 ? 43.833 59.868 -25.739 1.00 44.03 ? 145 HIS A CE1 1 ATOM 1173 N NE2 . HIS A 1 145 ? 42.584 59.773 -26.162 1.00 43.08 ? 145 HIS A NE2 1 ATOM 1174 N N . LYS A 1 146 ? 41.954 62.797 -20.223 1.00 33.23 ? 146 LYS A N 1 ATOM 1175 C CA . LYS A 1 146 ? 41.537 63.758 -19.193 1.00 33.09 ? 146 LYS A CA 1 ATOM 1176 C C . LYS A 1 146 ? 42.639 64.056 -18.172 1.00 32.03 ? 146 LYS A C 1 ATOM 1177 O O . LYS A 1 146 ? 42.925 65.212 -17.853 1.00 30.53 ? 146 LYS A O 1 ATOM 1178 C CB . LYS A 1 146 ? 40.328 63.238 -18.413 1.00 33.83 ? 146 LYS A CB 1 ATOM 1179 C CG . LYS A 1 146 ? 39.067 63.005 -19.182 1.00 36.32 ? 146 LYS A CG 1 ATOM 1180 C CD . LYS A 1 146 ? 37.967 62.632 -18.231 1.00 39.79 ? 146 LYS A CD 1 ATOM 1181 C CE . LYS A 1 146 ? 36.762 62.167 -18.997 1.00 44.26 ? 146 LYS A CE 1 ATOM 1182 N NZ . LYS A 1 146 ? 35.651 61.705 -18.116 1.00 48.44 ? 146 LYS A NZ 1 ATOM 1183 N N . TRP A 1 147 ? 43.237 62.992 -17.646 1.00 30.04 ? 147 TRP A N 1 ATOM 1184 C CA . TRP A 1 147 ? 44.300 63.112 -16.655 1.00 29.69 ? 147 TRP A CA 1 ATOM 1185 C C . TRP A 1 147 ? 45.518 63.848 -17.196 1.00 30.46 ? 147 TRP A C 1 ATOM 1186 O O . TRP A 1 147 ? 46.185 64.554 -16.452 1.00 28.59 ? 147 TRP A O 1 ATOM 1187 C CB . TRP A 1 147 ? 44.696 61.722 -16.133 1.00 28.76 ? 147 TRP A CB 1 ATOM 1188 C CG . TRP A 1 147 ? 43.692 61.154 -15.172 1.00 27.81 ? 147 TRP A CG 1 ATOM 1189 C CD1 . TRP A 1 147 ? 42.592 61.792 -14.666 1.00 26.25 ? 147 TRP A CD1 1 ATOM 1190 C CD2 . TRP A 1 147 ? 43.688 59.840 -14.603 1.00 27.35 ? 147 TRP A CD2 1 ATOM 1191 N NE1 . TRP A 1 147 ? 41.905 60.960 -13.823 1.00 25.48 ? 147 TRP A NE1 1 ATOM 1192 C CE2 . TRP A 1 147 ? 42.554 59.753 -13.764 1.00 27.26 ? 147 TRP A CE2 1 ATOM 1193 C CE3 . TRP A 1 147 ? 44.535 58.726 -14.718 1.00 28.07 ? 147 TRP A CE3 1 ATOM 1194 C CZ2 . TRP A 1 147 ? 42.240 58.595 -13.042 1.00 26.42 ? 147 TRP A CZ2 1 ATOM 1195 C CZ3 . TRP A 1 147 ? 44.224 57.574 -14.000 1.00 26.06 ? 147 TRP A CZ3 1 ATOM 1196 C CH2 . TRP A 1 147 ? 43.084 57.520 -13.172 1.00 26.89 ? 147 TRP A CH2 1 ATOM 1197 N N . GLU A 1 148 ? 45.800 63.693 -18.490 1.00 32.44 ? 148 GLU A N 1 ATOM 1198 C CA . GLU A 1 148 ? 46.934 64.387 -19.101 1.00 33.80 ? 148 GLU A CA 1 ATOM 1199 C C . GLU A 1 148 ? 46.621 65.879 -19.160 1.00 33.78 ? 148 GLU A C 1 ATOM 1200 O O . GLU A 1 148 ? 47.482 66.721 -18.906 1.00 33.30 ? 148 GLU A O 1 ATOM 1201 C CB . GLU A 1 148 ? 47.195 63.872 -20.512 1.00 34.03 ? 148 GLU A CB 1 ATOM 1202 C CG . GLU A 1 148 ? 47.451 62.400 -20.564 1.00 39.09 ? 148 GLU A CG 1 ATOM 1203 C CD . GLU A 1 148 ? 47.671 61.915 -21.972 1.00 42.20 ? 148 GLU A CD 1 ATOM 1204 O OE1 . GLU A 1 148 ? 46.887 62.317 -22.860 1.00 46.48 ? 148 GLU A OE1 1 ATOM 1205 O OE2 . GLU A 1 148 ? 48.615 61.128 -22.193 1.00 43.75 ? 148 GLU A OE2 1 ATOM 1206 N N . GLN A 1 149 ? 45.378 66.194 -19.498 1.00 34.05 ? 149 GLN A N 1 ATOM 1207 C CA . GLN A 1 149 ? 44.937 67.573 -19.578 1.00 35.34 ? 149 GLN A CA 1 ATOM 1208 C C . GLN A 1 149 ? 44.904 68.258 -18.216 1.00 34.72 ? 149 GLN A C 1 ATOM 1209 O O . GLN A 1 149 ? 45.079 69.476 -18.127 1.00 35.50 ? 149 GLN A O 1 ATOM 1210 C CB . GLN A 1 149 ? 43.555 67.642 -20.225 1.00 37.17 ? 149 GLN A CB 1 ATOM 1211 C CG . GLN A 1 149 ? 43.604 67.541 -21.730 1.00 43.60 ? 149 GLN A CG 1 ATOM 1212 C CD . GLN A 1 149 ? 44.376 68.693 -22.362 1.00 47.59 ? 149 GLN A CD 1 ATOM 1213 O OE1 . GLN A 1 149 ? 43.954 69.853 -22.291 1.00 50.35 ? 149 GLN A OE1 1 ATOM 1214 N NE2 . GLN A 1 149 ? 45.516 68.379 -22.978 1.00 47.39 ? 149 GLN A NE2 1 ATOM 1215 N N . ALA A 1 150 ? 44.681 67.479 -17.161 1.00 33.36 ? 150 ALA A N 1 ATOM 1216 C CA . ALA A 1 150 ? 44.631 68.016 -15.804 1.00 32.93 ? 150 ALA A CA 1 ATOM 1217 C C . ALA A 1 150 ? 45.976 67.911 -15.075 1.00 32.37 ? 150 ALA A C 1 ATOM 1218 O O . ALA A 1 150 ? 46.112 68.387 -13.948 1.00 31.64 ? 150 ALA A O 1 ATOM 1219 C CB . ALA A 1 150 ? 43.551 67.299 -15.006 1.00 31.67 ? 150 ALA A CB 1 ATOM 1220 N N . GLY A 1 151 ? 46.970 67.302 -15.717 1.00 32.47 ? 151 GLY A N 1 ATOM 1221 C CA . GLY A 1 151 ? 48.271 67.155 -15.082 1.00 32.34 ? 151 GLY A CA 1 ATOM 1222 C C . GLY A 1 151 ? 48.202 66.208 -13.894 1.00 32.81 ? 151 GLY A C 1 ATOM 1223 O O . GLY A 1 151 ? 48.935 66.347 -12.908 1.00 30.18 ? 151 GLY A O 1 ATOM 1224 N N . GLU A 1 152 ? 47.304 65.236 -13.999 1.00 33.42 ? 152 GLU A N 1 ATOM 1225 C CA . GLU A 1 152 ? 47.098 64.254 -12.948 1.00 34.90 ? 152 GLU A CA 1 ATOM 1226 C C . GLU A 1 152 ? 48.380 63.526 -12.573 1.00 34.16 ? 152 GLU A C 1 ATOM 1227 O O . GLU A 1 152 ? 48.638 63.297 -11.395 1.00 33.43 ? 152 GLU A O 1 ATOM 1228 C CB . GLU A 1 152 ? 46.032 63.253 -13.393 1.00 36.44 ? 152 GLU A CB 1 ATOM 1229 C CG . GLU A 1 152 ? 45.639 62.218 -12.352 1.00 39.51 ? 152 GLU A CG 1 ATOM 1230 C CD . GLU A 1 152 ? 45.205 62.836 -11.020 1.00 41.21 ? 152 GLU A CD 1 ATOM 1231 O OE1 . GLU A 1 152 ? 44.715 64.000 -11.015 1.00 38.79 ? 152 GLU A OE1 1 ATOM 1232 O OE2 . GLU A 1 152 ? 45.328 62.133 -9.991 1.00 42.71 ? 152 GLU A OE2 1 ATOM 1233 N N . ALA A 1 153 ? 49.182 63.170 -13.570 1.00 34.27 ? 153 ALA A N 1 ATOM 1234 C CA . ALA A 1 153 ? 50.439 62.466 -13.316 1.00 34.37 ? 153 ALA A CA 1 ATOM 1235 C C . ALA A 1 153 ? 51.343 63.283 -12.402 1.00 34.81 ? 153 ALA A C 1 ATOM 1236 O O . ALA A 1 153 ? 51.946 62.752 -11.469 1.00 35.72 ? 153 ALA A O 1 ATOM 1237 C CB . ALA A 1 153 ? 51.158 62.178 -14.633 1.00 33.05 ? 153 ALA A CB 1 ATOM 1238 N N . GLU A 1 154 ? 51.432 64.579 -12.684 1.00 35.06 ? 154 GLU A N 1 ATOM 1239 C CA . GLU A 1 154 ? 52.262 65.491 -11.909 1.00 34.74 ? 154 GLU A CA 1 ATOM 1240 C C . GLU A 1 154 ? 51.800 65.548 -10.457 1.00 33.03 ? 154 GLU A C 1 ATOM 1241 O O . GLU A 1 154 ? 52.608 65.538 -9.527 1.00 31.28 ? 154 GLU A O 1 ATOM 1242 C CB . GLU A 1 154 ? 52.211 66.893 -12.527 1.00 37.68 ? 154 GLU A CB 1 ATOM 1243 C CG . GLU A 1 154 ? 52.803 66.995 -13.945 1.00 44.49 ? 154 GLU A CG 1 ATOM 1244 C CD . GLU A 1 154 ? 51.804 66.696 -15.075 1.00 48.25 ? 154 GLU A CD 1 ATOM 1245 O OE1 . GLU A 1 154 ? 51.259 65.567 -15.141 1.00 47.11 ? 154 GLU A OE1 1 ATOM 1246 O OE2 . GLU A 1 154 ? 51.574 67.606 -15.910 1.00 51.01 ? 154 GLU A OE2 1 ATOM 1247 N N . ARG A 1 155 ? 50.488 65.609 -10.273 1.00 31.47 ? 155 ARG A N 1 ATOM 1248 C CA . ARG A 1 155 ? 49.900 65.671 -8.948 1.00 30.17 ? 155 ARG A CA 1 ATOM 1249 C C . ARG A 1 155 ? 50.175 64.365 -8.208 1.00 30.02 ? 155 ARG A C 1 ATOM 1250 O O . ARG A 1 155 ? 50.451 64.351 -7.008 1.00 29.02 ? 155 ARG A O 1 ATOM 1251 C CB . ARG A 1 155 ? 48.390 65.897 -9.073 1.00 30.12 ? 155 ARG A CB 1 ATOM 1252 C CG . ARG A 1 155 ? 47.646 65.964 -7.760 1.00 28.85 ? 155 ARG A CG 1 ATOM 1253 C CD . ARG A 1 155 ? 46.167 66.113 -8.007 1.00 31.49 ? 155 ARG A CD 1 ATOM 1254 N NE . ARG A 1 155 ? 45.490 64.849 -8.300 1.00 34.09 ? 155 ARG A NE 1 ATOM 1255 C CZ . ARG A 1 155 ? 45.068 63.990 -7.373 1.00 34.44 ? 155 ARG A CZ 1 ATOM 1256 N NH1 . ARG A 1 155 ? 45.257 64.249 -6.083 1.00 33.21 ? 155 ARG A NH1 1 ATOM 1257 N NH2 . ARG A 1 155 ? 44.427 62.880 -7.734 1.00 33.99 ? 155 ARG A NH2 1 ATOM 1258 N N . LEU A 1 156 ? 50.103 63.263 -8.940 1.00 30.36 ? 156 LEU A N 1 ATOM 1259 C CA . LEU A 1 156 ? 50.328 61.962 -8.353 1.00 31.44 ? 156 LEU A CA 1 ATOM 1260 C C . LEU A 1 156 ? 51.801 61.751 -8.045 1.00 31.49 ? 156 LEU A C 1 ATOM 1261 O O . LEU A 1 156 ? 52.139 61.027 -7.108 1.00 31.82 ? 156 LEU A O 1 ATOM 1262 C CB . LEU A 1 156 ? 49.809 60.876 -9.296 1.00 32.81 ? 156 LEU A CB 1 ATOM 1263 C CG . LEU A 1 156 ? 49.625 59.461 -8.740 1.00 35.72 ? 156 LEU A CG 1 ATOM 1264 C CD1 . LEU A 1 156 ? 49.001 59.484 -7.348 1.00 36.64 ? 156 LEU A CD1 1 ATOM 1265 C CD2 . LEU A 1 156 ? 48.735 58.693 -9.698 1.00 37.83 ? 156 LEU A CD2 1 ATOM 1266 N N . ARG A 1 157 ? 52.674 62.392 -8.819 1.00 30.29 ? 157 ARG A N 1 ATOM 1267 C CA . ARG A 1 157 ? 54.114 62.261 -8.611 1.00 30.76 ? 157 ARG A CA 1 ATOM 1268 C C . ARG A 1 157 ? 54.556 63.058 -7.390 1.00 29.95 ? 157 ARG A C 1 ATOM 1269 O O . ARG A 1 157 ? 55.469 62.655 -6.668 1.00 29.25 ? 157 ARG A O 1 ATOM 1270 C CB . ARG A 1 157 ? 54.876 62.731 -9.856 1.00 34.00 ? 157 ARG A CB 1 ATOM 1271 C CG . ARG A 1 157 ? 56.396 62.657 -9.736 1.00 37.16 ? 157 ARG A CG 1 ATOM 1272 C CD . ARG A 1 157 ? 57.054 62.815 -11.095 1.00 41.49 ? 157 ARG A CD 1 ATOM 1273 N NE . ARG A 1 157 ? 57.969 63.953 -11.160 1.00 47.06 ? 157 ARG A NE 1 ATOM 1274 C CZ . ARG A 1 157 ? 59.299 63.857 -11.181 1.00 50.09 ? 157 ARG A CZ 1 ATOM 1275 N NH1 . ARG A 1 157 ? 59.889 62.668 -11.139 1.00 50.63 ? 157 ARG A NH1 1 ATOM 1276 N NH2 . ARG A 1 157 ? 60.046 64.953 -11.259 1.00 52.13 ? 157 ARG A NH2 1 ATOM 1277 N N . ALA A 1 158 ? 53.898 64.191 -7.163 1.00 28.60 ? 158 ALA A N 1 ATOM 1278 C CA . ALA A 1 158 ? 54.204 65.042 -6.021 1.00 28.18 ? 158 ALA A CA 1 ATOM 1279 C C . ALA A 1 158 ? 53.777 64.318 -4.752 1.00 27.86 ? 158 ALA A C 1 ATOM 1280 O O . ALA A 1 158 ? 54.422 64.434 -3.710 1.00 27.16 ? 158 ALA A O 1 ATOM 1281 C CB . ALA A 1 158 ? 53.458 66.371 -6.143 1.00 26.91 ? 158 ALA A CB 1 ATOM 1282 N N . TYR A 1 159 ? 52.677 63.577 -4.854 1.00 27.71 ? 159 TYR A N 1 ATOM 1283 C CA . TYR A 1 159 ? 52.151 62.819 -3.729 1.00 28.89 ? 159 TYR A CA 1 ATOM 1284 C C . TYR A 1 159 ? 53.097 61.675 -3.388 1.00 30.15 ? 159 TYR A C 1 ATOM 1285 O O . TYR A 1 159 ? 53.464 61.496 -2.229 1.00 31.41 ? 159 TYR A O 1 ATOM 1286 C CB . TYR A 1 159 ? 50.767 62.246 -4.066 1.00 27.31 ? 159 TYR A CB 1 ATOM 1287 C CG . TYR A 1 159 ? 50.336 61.122 -3.146 1.00 26.09 ? 159 TYR A CG 1 ATOM 1288 C CD1 . TYR A 1 159 ? 49.878 61.385 -1.854 1.00 25.78 ? 159 TYR A CD1 1 ATOM 1289 C CD2 . TYR A 1 159 ? 50.432 59.786 -3.553 1.00 25.89 ? 159 TYR A CD2 1 ATOM 1290 C CE1 . TYR A 1 159 ? 49.538 60.351 -0.986 1.00 25.13 ? 159 TYR A CE1 1 ATOM 1291 C CE2 . TYR A 1 159 ? 50.094 58.744 -2.691 1.00 25.35 ? 159 TYR A CE2 1 ATOM 1292 C CZ . TYR A 1 159 ? 49.647 59.037 -1.410 1.00 26.52 ? 159 TYR A CZ 1 ATOM 1293 O OH . TYR A 1 159 ? 49.338 58.017 -0.546 1.00 27.29 ? 159 TYR A OH 1 ATOM 1294 N N . LEU A 1 160 ? 53.482 60.905 -4.403 1.00 30.18 ? 160 LEU A N 1 ATOM 1295 C CA . LEU A 1 160 ? 54.372 59.763 -4.216 1.00 30.94 ? 160 LEU A CA 1 ATOM 1296 C C . LEU A 1 160 ? 55.738 60.152 -3.680 1.00 33.61 ? 160 LEU A C 1 ATOM 1297 O O . LEU A 1 160 ? 56.239 59.538 -2.744 1.00 35.50 ? 160 LEU A O 1 ATOM 1298 C CB . LEU A 1 160 ? 54.547 59.006 -5.533 1.00 26.72 ? 160 LEU A CB 1 ATOM 1299 C CG . LEU A 1 160 ? 53.288 58.293 -6.016 1.00 26.39 ? 160 LEU A CG 1 ATOM 1300 C CD1 . LEU A 1 160 ? 53.519 57.716 -7.398 1.00 25.74 ? 160 LEU A CD1 1 ATOM 1301 C CD2 . LEU A 1 160 ? 52.906 57.211 -5.014 1.00 24.54 ? 160 LEU A CD2 1 ATOM 1302 N N . GLU A 1 161 ? 56.334 61.180 -4.269 1.00 36.18 ? 161 GLU A N 1 ATOM 1303 C CA . GLU A 1 161 ? 57.655 61.620 -3.852 1.00 37.54 ? 161 GLU A CA 1 ATOM 1304 C C . GLU A 1 161 ? 57.651 62.408 -2.545 1.00 37.29 ? 161 GLU A C 1 ATOM 1305 O O . GLU A 1 161 ? 58.671 62.481 -1.852 1.00 39.57 ? 161 GLU A O 1 ATOM 1306 C CB . GLU A 1 161 ? 58.296 62.461 -4.960 1.00 38.87 ? 161 GLU A CB 1 ATOM 1307 C CG . GLU A 1 161 ? 58.274 61.799 -6.332 1.00 40.89 ? 161 GLU A CG 1 ATOM 1308 C CD . GLU A 1 161 ? 59.113 62.544 -7.363 1.00 43.25 ? 161 GLU A CD 1 ATOM 1309 O OE1 . GLU A 1 161 ? 59.163 63.796 -7.320 1.00 43.19 ? 161 GLU A OE1 1 ATOM 1310 O OE2 . GLU A 1 161 ? 59.714 61.871 -8.230 1.00 45.05 ? 161 GLU A OE2 1 ATOM 1311 N N . GLY A 1 162 ? 56.510 62.992 -2.202 1.00 34.63 ? 162 GLY A N 1 ATOM 1312 C CA . GLY A 1 162 ? 56.438 63.769 -0.982 1.00 32.59 ? 162 GLY A CA 1 ATOM 1313 C C . GLY A 1 162 ? 55.572 63.128 0.078 1.00 32.84 ? 162 GLY A C 1 ATOM 1314 O O . GLY A 1 162 ? 56.065 62.398 0.934 1.00 35.63 ? 162 GLY A O 1 ATOM 1315 N N . THR A 1 163 ? 54.273 63.392 0.011 1.00 30.67 ? 163 THR A N 1 ATOM 1316 C CA . THR A 1 163 ? 53.326 62.857 0.975 1.00 27.33 ? 163 THR A CA 1 ATOM 1317 C C . THR A 1 163 ? 53.444 61.373 1.286 1.00 25.33 ? 163 THR A C 1 ATOM 1318 O O . THR A 1 163 ? 53.646 61.009 2.441 1.00 22.83 ? 163 THR A O 1 ATOM 1319 C CB . THR A 1 163 ? 51.874 63.170 0.542 1.00 27.52 ? 163 THR A CB 1 ATOM 1320 O OG1 . THR A 1 163 ? 51.621 64.563 0.756 1.00 29.64 ? 163 THR A OG1 1 ATOM 1321 C CG2 . THR A 1 163 ? 50.860 62.343 1.335 1.00 23.56 ? 163 THR A CG2 1 ATOM 1322 N N . CYS A 1 164 ? 53.315 60.522 0.270 1.00 24.91 ? 164 CYS A N 1 ATOM 1323 C CA . CYS A 1 164 ? 53.380 59.073 0.477 1.00 25.77 ? 164 CYS A CA 1 ATOM 1324 C C . CYS A 1 164 ? 54.637 58.637 1.200 1.00 23.89 ? 164 CYS A C 1 ATOM 1325 O O . CYS A 1 164 ? 54.577 57.925 2.200 1.00 23.68 ? 164 CYS A O 1 ATOM 1326 C CB . CYS A 1 164 ? 53.304 58.314 -0.851 1.00 26.95 ? 164 CYS A CB 1 ATOM 1327 S SG . CYS A 1 164 ? 53.138 56.509 -0.630 1.00 29.13 ? 164 CYS A SG 1 ATOM 1328 N N . VAL A 1 165 ? 55.776 59.063 0.677 1.00 22.59 ? 165 VAL A N 1 ATOM 1329 C CA . VAL A 1 165 ? 57.068 58.721 1.251 1.00 21.96 ? 165 VAL A CA 1 ATOM 1330 C C . VAL A 1 165 ? 57.227 59.203 2.697 1.00 21.79 ? 165 VAL A C 1 ATOM 1331 O O . VAL A 1 165 ? 57.796 58.504 3.531 1.00 21.36 ? 165 VAL A O 1 ATOM 1332 C CB . VAL A 1 165 ? 58.203 59.296 0.357 1.00 21.16 ? 165 VAL A CB 1 ATOM 1333 C CG1 . VAL A 1 165 ? 59.527 59.306 1.098 1.00 19.64 ? 165 VAL A CG1 1 ATOM 1334 C CG2 . VAL A 1 165 ? 58.318 58.456 -0.902 1.00 16.94 ? 165 VAL A CG2 1 ATOM 1335 N N . GLU A 1 166 ? 56.711 60.390 2.987 1.00 22.99 ? 166 GLU A N 1 ATOM 1336 C CA . GLU A 1 166 ? 56.823 60.965 4.319 1.00 24.77 ? 166 GLU A CA 1 ATOM 1337 C C . GLU A 1 166 ? 56.004 60.264 5.379 1.00 23.00 ? 166 GLU A C 1 ATOM 1338 O O . GLU A 1 166 ? 56.449 60.139 6.512 1.00 23.61 ? 166 GLU A O 1 ATOM 1339 C CB . GLU A 1 166 ? 56.482 62.456 4.284 1.00 26.96 ? 166 GLU A CB 1 ATOM 1340 C CG . GLU A 1 166 ? 57.557 63.278 3.573 1.00 35.55 ? 166 GLU A CG 1 ATOM 1341 C CD . GLU A 1 166 ? 57.154 64.734 3.362 1.00 41.10 ? 166 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 166 ? 56.698 65.361 4.341 1.00 45.41 ? 166 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 166 ? 57.291 65.249 2.230 1.00 43.48 ? 166 GLU A OE2 1 ATOM 1344 N N . TRP A 1 167 ? 54.805 59.815 5.036 1.00 23.46 ? 167 TRP A N 1 ATOM 1345 C CA . TRP A 1 167 ? 53.996 59.107 6.021 1.00 22.65 ? 167 TRP A CA 1 ATOM 1346 C C . TRP A 1 167 ? 54.586 57.721 6.239 1.00 21.55 ? 167 TRP A C 1 ATOM 1347 O O . TRP A 1 167 ? 54.595 57.223 7.358 1.00 21.69 ? 167 TRP A O 1 ATOM 1348 C CB . TRP A 1 167 ? 52.534 59.007 5.578 1.00 22.09 ? 167 TRP A CB 1 ATOM 1349 C CG . TRP A 1 167 ? 51.801 60.281 5.799 1.00 23.44 ? 167 TRP A CG 1 ATOM 1350 C CD1 . TRP A 1 167 ? 51.584 61.276 4.888 1.00 24.52 ? 167 TRP A CD1 1 ATOM 1351 C CD2 . TRP A 1 167 ? 51.282 60.757 7.044 1.00 23.75 ? 167 TRP A CD2 1 ATOM 1352 N NE1 . TRP A 1 167 ? 50.968 62.346 5.489 1.00 24.44 ? 167 TRP A NE1 1 ATOM 1353 C CE2 . TRP A 1 167 ? 50.771 62.056 6.813 1.00 24.67 ? 167 TRP A CE2 1 ATOM 1354 C CE3 . TRP A 1 167 ? 51.200 60.213 8.333 1.00 22.80 ? 167 TRP A CE3 1 ATOM 1355 C CZ2 . TRP A 1 167 ? 50.190 62.827 7.829 1.00 22.70 ? 167 TRP A CZ2 1 ATOM 1356 C CZ3 . TRP A 1 167 ? 50.623 60.979 9.344 1.00 23.81 ? 167 TRP A CZ3 1 ATOM 1357 C CH2 . TRP A 1 167 ? 50.123 62.274 9.082 1.00 24.83 ? 167 TRP A CH2 1 ATOM 1358 N N . LEU A 1 168 ? 55.101 57.114 5.173 1.00 19.94 ? 168 LEU A N 1 ATOM 1359 C CA . LEU A 1 168 ? 55.713 55.798 5.288 1.00 20.77 ? 168 LEU A CA 1 ATOM 1360 C C . LEU A 1 168 ? 56.851 55.854 6.308 1.00 21.49 ? 168 LEU A C 1 ATOM 1361 O O . LEU A 1 168 ? 56.956 54.981 7.177 1.00 20.97 ? 168 LEU A O 1 ATOM 1362 C CB . LEU A 1 168 ? 56.246 55.316 3.931 1.00 17.64 ? 168 LEU A CB 1 ATOM 1363 C CG . LEU A 1 168 ? 56.886 53.916 3.951 1.00 17.06 ? 168 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 168 ? 55.960 52.905 4.609 1.00 11.34 ? 168 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 168 ? 57.209 53.489 2.527 1.00 17.46 ? 168 LEU A CD2 1 ATOM 1366 N N . ARG A 1 169 ? 57.697 56.880 6.203 1.00 21.19 ? 169 ARG A N 1 ATOM 1367 C CA . ARG A 1 169 ? 58.803 57.042 7.143 1.00 21.23 ? 169 ARG A CA 1 ATOM 1368 C C . ARG A 1 169 ? 58.266 57.223 8.557 1.00 22.05 ? 169 ARG A C 1 ATOM 1369 O O . ARG A 1 169 ? 58.801 56.657 9.513 1.00 22.60 ? 169 ARG A O 1 ATOM 1370 C CB . ARG A 1 169 ? 59.649 58.252 6.785 1.00 20.97 ? 169 ARG A CB 1 ATOM 1371 C CG . ARG A 1 169 ? 60.478 58.106 5.530 1.00 21.81 ? 169 ARG A CG 1 ATOM 1372 C CD . ARG A 1 169 ? 61.238 59.404 5.299 1.00 21.17 ? 169 ARG A CD 1 ATOM 1373 N NE . ARG A 1 169 ? 61.720 59.538 3.933 1.00 22.14 ? 169 ARG A NE 1 ATOM 1374 C CZ . ARG A 1 169 ? 61.878 60.704 3.319 1.00 23.69 ? 169 ARG A CZ 1 ATOM 1375 N NH1 . ARG A 1 169 ? 61.583 61.831 3.960 1.00 22.19 ? 169 ARG A NH1 1 ATOM 1376 N NH2 . ARG A 1 169 ? 62.340 60.743 2.072 1.00 22.68 ? 169 ARG A NH2 1 ATOM 1377 N N . ARG A 1 170 ? 57.207 58.017 8.686 1.00 20.83 ? 170 ARG A N 1 ATOM 1378 C CA . ARG A 1 170 ? 56.610 58.261 9.989 1.00 19.27 ? 170 ARG A CA 1 ATOM 1379 C C . ARG A 1 170 ? 56.003 56.984 10.553 1.00 17.16 ? 170 ARG A C 1 ATOM 1380 O O . ARG A 1 170 ? 56.120 56.719 11.738 1.00 16.16 ? 170 ARG A O 1 ATOM 1381 C CB . ARG A 1 170 ? 55.531 59.336 9.894 1.00 20.82 ? 170 ARG A CB 1 ATOM 1382 C CG . ARG A 1 170 ? 54.826 59.596 11.207 1.00 22.09 ? 170 ARG A CG 1 ATOM 1383 C CD . ARG A 1 170 ? 53.610 60.467 11.003 1.00 28.21 ? 170 ARG A CD 1 ATOM 1384 N NE . ARG A 1 170 ? 52.829 60.590 12.228 1.00 31.88 ? 170 ARG A NE 1 ATOM 1385 C CZ . ARG A 1 170 ? 53.258 61.206 13.322 1.00 33.54 ? 170 ARG A CZ 1 ATOM 1386 N NH1 . ARG A 1 170 ? 54.463 61.762 13.343 1.00 35.30 ? 170 ARG A NH1 1 ATOM 1387 N NH2 . ARG A 1 170 ? 52.491 61.253 14.397 1.00 34.11 ? 170 ARG A NH2 1 ATOM 1388 N N . TYR A 1 171 ? 55.353 56.199 9.702 1.00 16.57 ? 171 TYR A N 1 ATOM 1389 C CA . TYR A 1 171 ? 54.740 54.949 10.143 1.00 16.11 ? 171 TYR A CA 1 ATOM 1390 C C . TYR A 1 171 ? 55.797 53.963 10.637 1.00 15.77 ? 171 TYR A C 1 ATOM 1391 O O . TYR A 1 171 ? 55.634 53.353 11.696 1.00 15.39 ? 171 TYR A O 1 ATOM 1392 C CB . TYR A 1 171 ? 53.927 54.312 9.010 1.00 14.26 ? 171 TYR A CB 1 ATOM 1393 C CG . TYR A 1 171 ? 52.751 55.142 8.565 1.00 13.91 ? 171 TYR A CG 1 ATOM 1394 C CD1 . TYR A 1 171 ? 51.951 55.801 9.493 1.00 12.70 ? 171 TYR A CD1 1 ATOM 1395 C CD2 . TYR A 1 171 ? 52.438 55.276 7.208 1.00 14.79 ? 171 TYR A CD2 1 ATOM 1396 C CE1 . TYR A 1 171 ? 50.866 56.578 9.085 1.00 13.25 ? 171 TYR A CE1 1 ATOM 1397 C CE2 . TYR A 1 171 ? 51.349 56.047 6.785 1.00 11.58 ? 171 TYR A CE2 1 ATOM 1398 C CZ . TYR A 1 171 ? 50.567 56.698 7.731 1.00 12.24 ? 171 TYR A CZ 1 ATOM 1399 O OH . TYR A 1 171 ? 49.476 57.451 7.337 1.00 8.05 ? 171 TYR A OH 1 ATOM 1400 N N . LEU A 1 172 ? 56.879 53.813 9.877 1.00 14.89 ? 172 LEU A N 1 ATOM 1401 C CA . LEU A 1 172 ? 57.955 52.901 10.262 1.00 16.62 ? 172 LEU A CA 1 ATOM 1402 C C . LEU A 1 172 ? 58.562 53.321 11.596 1.00 17.59 ? 172 LEU A C 1 ATOM 1403 O O . LEU A 1 172 ? 58.896 52.483 12.423 1.00 18.82 ? 172 LEU A O 1 ATOM 1404 C CB . LEU A 1 172 ? 59.048 52.886 9.193 1.00 14.59 ? 172 LEU A CB 1 ATOM 1405 C CG . LEU A 1 172 ? 58.659 52.289 7.844 1.00 16.22 ? 172 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 172 ? 59.708 52.673 6.825 1.00 15.48 ? 172 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 172 ? 58.498 50.765 7.956 1.00 13.46 ? 172 LEU A CD2 1 ATOM 1408 N N . LYS A 1 173 ? 58.696 54.629 11.789 1.00 18.80 ? 173 LYS A N 1 ATOM 1409 C CA . LYS A 1 173 ? 59.257 55.192 13.006 1.00 20.02 ? 173 LYS A CA 1 ATOM 1410 C C . LYS A 1 173 ? 58.376 54.876 14.207 1.00 20.84 ? 173 LYS A C 1 ATOM 1411 O O . LYS A 1 173 ? 58.835 54.282 15.177 1.00 22.93 ? 173 LYS A O 1 ATOM 1412 C CB . LYS A 1 173 ? 59.403 56.706 12.839 1.00 21.90 ? 173 LYS A CB 1 ATOM 1413 C CG . LYS A 1 173 ? 60.035 57.453 13.995 1.00 21.87 ? 173 LYS A CG 1 ATOM 1414 C CD . LYS A 1 173 ? 60.075 58.951 13.665 1.00 28.38 ? 173 LYS A CD 1 ATOM 1415 C CE . LYS A 1 173 ? 60.685 59.769 14.795 1.00 31.30 ? 173 LYS A CE 1 ATOM 1416 N NZ . LYS A 1 173 ? 59.830 59.740 16.013 1.00 35.72 ? 173 LYS A NZ 1 ATOM 1417 N N . ASN A 1 174 ? 57.107 55.257 14.139 1.00 21.79 ? 174 ASN A N 1 ATOM 1418 C CA . ASN A 1 174 ? 56.187 55.011 15.245 1.00 24.76 ? 174 ASN A CA 1 ATOM 1419 C C . ASN A 1 174 ? 55.931 53.527 15.537 1.00 25.89 ? 174 ASN A C 1 ATOM 1420 O O . ASN A 1 174 ? 55.711 53.145 16.688 1.00 26.77 ? 174 ASN A O 1 ATOM 1421 C CB . ASN A 1 174 ? 54.852 55.716 14.986 1.00 25.40 ? 174 ASN A CB 1 ATOM 1422 C CG . ASN A 1 174 ? 54.997 57.227 14.884 1.00 26.11 ? 174 ASN A CG 1 ATOM 1423 O OD1 . ASN A 1 174 ? 56.070 57.778 15.124 1.00 24.97 ? 174 ASN A OD1 1 ATOM 1424 N ND2 . ASN A 1 174 ? 53.906 57.903 14.528 1.00 26.64 ? 174 ASN A ND2 1 ATOM 1425 N N . GLY A 1 175 ? 55.956 52.694 14.503 1.00 26.32 ? 175 GLY A N 1 ATOM 1426 C CA . GLY A 1 175 ? 55.713 51.279 14.712 1.00 27.97 ? 175 GLY A CA 1 ATOM 1427 C C . GLY A 1 175 ? 56.938 50.395 14.544 1.00 29.26 ? 175 GLY A C 1 ATOM 1428 O O . GLY A 1 175 ? 56.814 49.226 14.165 1.00 28.63 ? 175 GLY A O 1 ATOM 1429 N N . ASN A 1 176 ? 58.120 50.933 14.837 1.00 29.31 ? 176 ASN A N 1 ATOM 1430 C CA . ASN A 1 176 ? 59.344 50.153 14.687 1.00 30.00 ? 176 ASN A CA 1 ATOM 1431 C C . ASN A 1 176 ? 59.341 48.841 15.460 1.00 28.86 ? 176 ASN A C 1 ATOM 1432 O O . ASN A 1 176 ? 59.836 47.834 14.964 1.00 30.13 ? 176 ASN A O 1 ATOM 1433 C CB . ASN A 1 176 ? 60.580 50.977 15.072 1.00 29.36 ? 176 ASN A CB 1 ATOM 1434 C CG . ASN A 1 176 ? 60.410 51.725 16.372 1.00 32.29 ? 176 ASN A CG 1 ATOM 1435 O OD1 . ASN A 1 176 ? 59.530 51.422 17.180 1.00 32.79 ? 176 ASN A OD1 1 ATOM 1436 N ND2 . ASN A 1 176 ? 61.268 52.717 16.588 1.00 37.19 ? 176 ASN A ND2 1 ATOM 1437 N N . ALA A 1 177 ? 58.782 48.843 16.664 1.00 28.29 ? 177 ALA A N 1 ATOM 1438 C CA . ALA A 1 177 ? 58.744 47.628 17.478 1.00 28.69 ? 177 ALA A CA 1 ATOM 1439 C C . ALA A 1 177 ? 58.038 46.496 16.739 1.00 29.01 ? 177 ALA A C 1 ATOM 1440 O O . ALA A 1 177 ? 58.393 45.329 16.887 1.00 29.72 ? 177 ALA A O 1 ATOM 1441 C CB . ALA A 1 177 ? 58.039 47.902 18.792 1.00 26.12 ? 177 ALA A CB 1 ATOM 1442 N N . THR A 1 178 ? 57.048 46.857 15.933 1.00 28.44 ? 178 THR A N 1 ATOM 1443 C CA . THR A 1 178 ? 56.270 45.890 15.170 1.00 27.85 ? 178 THR A CA 1 ATOM 1444 C C . THR A 1 178 ? 56.791 45.668 13.751 1.00 27.87 ? 178 THR A C 1 ATOM 1445 O O . THR A 1 178 ? 57.144 44.552 13.383 1.00 29.15 ? 178 THR A O 1 ATOM 1446 C CB . THR A 1 178 ? 54.782 46.333 15.088 1.00 26.80 ? 178 THR A CB 1 ATOM 1447 O OG1 . THR A 1 178 ? 54.192 46.252 16.390 1.00 27.15 ? 178 THR A OG1 1 ATOM 1448 C CG2 . THR A 1 178 ? 53.998 45.459 14.120 1.00 24.75 ? 178 THR A CG2 1 ATOM 1449 N N . LEU A 1 179 ? 56.841 46.737 12.965 1.00 27.02 ? 179 LEU A N 1 ATOM 1450 C CA . LEU A 1 179 ? 57.271 46.663 11.574 1.00 26.63 ? 179 LEU A CA 1 ATOM 1451 C C . LEU A 1 179 ? 58.695 46.157 11.329 1.00 27.03 ? 179 LEU A C 1 ATOM 1452 O O . LEU A 1 179 ? 58.949 45.415 10.375 1.00 24.78 ? 179 LEU A O 1 ATOM 1453 C CB . LEU A 1 179 ? 57.084 48.036 10.928 1.00 26.28 ? 179 LEU A CB 1 ATOM 1454 C CG . LEU A 1 179 ? 55.650 48.572 11.033 1.00 25.50 ? 179 LEU A CG 1 ATOM 1455 C CD1 . LEU A 1 179 ? 55.566 50.014 10.523 1.00 23.25 ? 179 LEU A CD1 1 ATOM 1456 C CD2 . LEU A 1 179 ? 54.728 47.665 10.243 1.00 23.43 ? 179 LEU A CD2 1 ATOM 1457 N N . LEU A 1 180 ? 59.620 46.545 12.195 1.00 27.19 ? 180 LEU A N 1 ATOM 1458 C CA . LEU A 1 180 ? 61.001 46.131 12.025 1.00 27.55 ? 180 LEU A CA 1 ATOM 1459 C C . LEU A 1 180 ? 61.385 44.848 12.757 1.00 27.20 ? 180 LEU A C 1 ATOM 1460 O O . LEU A 1 180 ? 62.552 44.466 12.769 1.00 28.53 ? 180 LEU A O 1 ATOM 1461 C CB . LEU A 1 180 ? 61.934 47.267 12.450 1.00 28.02 ? 180 LEU A CB 1 ATOM 1462 C CG . LEU A 1 180 ? 61.673 48.623 11.777 1.00 28.75 ? 180 LEU A CG 1 ATOM 1463 C CD1 . LEU A 1 180 ? 62.869 49.539 12.018 1.00 26.02 ? 180 LEU A CD1 1 ATOM 1464 C CD2 . LEU A 1 180 ? 61.451 48.428 10.279 1.00 26.94 ? 180 LEU A CD2 1 ATOM 1465 N N . ARG A 1 181 ? 60.422 44.169 13.361 1.00 25.18 ? 181 ARG A N 1 ATOM 1466 C CA . ARG A 1 181 ? 60.755 42.942 14.063 1.00 25.89 ? 181 ARG A CA 1 ATOM 1467 C C . ARG A 1 181 ? 60.974 41.814 13.049 1.00 26.70 ? 181 ARG A C 1 ATOM 1468 O O . ARG A 1 181 ? 60.601 41.925 11.877 1.00 25.86 ? 181 ARG A O 1 ATOM 1469 C CB . ARG A 1 181 ? 59.634 42.560 15.040 1.00 25.94 ? 181 ARG A CB 1 ATOM 1470 C CG . ARG A 1 181 ? 58.472 41.792 14.408 1.00 27.33 ? 181 ARG A CG 1 ATOM 1471 C CD . ARG A 1 181 ? 57.369 41.511 15.416 1.00 28.47 ? 181 ARG A CD 1 ATOM 1472 N NE . ARG A 1 181 ? 56.312 40.657 14.875 1.00 29.59 ? 181 ARG A NE 1 ATOM 1473 C CZ . ARG A 1 181 ? 55.452 41.028 13.930 1.00 31.44 ? 181 ARG A CZ 1 ATOM 1474 N NH1 . ARG A 1 181 ? 55.515 42.246 13.415 1.00 33.89 ? 181 ARG A NH1 1 ATOM 1475 N NH2 . ARG A 1 181 ? 54.527 40.182 13.497 1.00 32.29 ? 181 ARG A NH2 1 ATOM 1476 N N . THR A 1 182 ? 61.602 40.736 13.498 1.00 26.96 ? 182 THR A N 1 ATOM 1477 C CA . THR A 1 182 ? 61.823 39.586 12.639 1.00 29.97 ? 182 THR A CA 1 ATOM 1478 C C . THR A 1 182 ? 61.486 38.330 13.418 1.00 30.57 ? 182 THR A C 1 ATOM 1479 O O . THR A 1 182 ? 62.254 37.915 14.286 1.00 33.84 ? 182 THR A O 1 ATOM 1480 C CB . THR A 1 182 ? 63.277 39.485 12.173 1.00 30.34 ? 182 THR A CB 1 ATOM 1481 O OG1 . THR A 1 182 ? 63.575 40.574 11.298 1.00 36.09 ? 182 THR A OG1 1 ATOM 1482 C CG2 . THR A 1 182 ? 63.493 38.203 11.417 1.00 31.62 ? 182 THR A CG2 1 ATOM 1483 N N . ASP A 1 183 ? 60.337 37.731 13.127 1.00 29.72 ? 183 ASP A N 1 ATOM 1484 C CA . ASP A 1 183 ? 59.954 36.511 13.828 1.00 30.63 ? 183 ASP A CA 1 ATOM 1485 C C . ASP A 1 183 ? 60.446 35.295 13.061 1.00 29.00 ? 183 ASP A C 1 ATOM 1486 O O . ASP A 1 183 ? 60.135 35.115 11.878 1.00 27.52 ? 183 ASP A O 1 ATOM 1487 C CB . ASP A 1 183 ? 58.433 36.430 14.028 1.00 33.22 ? 183 ASP A CB 1 ATOM 1488 C CG . ASP A 1 183 ? 57.926 37.404 15.086 1.00 33.57 ? 183 ASP A CG 1 ATOM 1489 O OD1 . ASP A 1 183 ? 58.664 37.665 16.054 1.00 35.84 ? 183 ASP A OD1 1 ATOM 1490 O OD2 . ASP A 1 183 ? 56.788 37.898 14.962 1.00 35.00 ? 183 ASP A OD2 1 ATOM 1491 N N . SER A 1 184 ? 61.230 34.474 13.749 1.00 28.02 ? 184 SER A N 1 ATOM 1492 C CA . SER A 1 184 ? 61.801 33.263 13.171 1.00 28.59 ? 184 SER A CA 1 ATOM 1493 C C . SER A 1 184 ? 60.795 32.154 12.939 1.00 26.13 ? 184 SER A C 1 ATOM 1494 O O . SER A 1 184 ? 59.969 31.863 13.796 1.00 26.11 ? 184 SER A O 1 ATOM 1495 C CB . SER A 1 184 ? 62.902 32.716 14.076 1.00 28.93 ? 184 SER A CB 1 ATOM 1496 O OG . SER A 1 184 ? 64.032 33.565 14.073 1.00 37.17 ? 184 SER A OG 1 ATOM 1497 N N . PRO A 1 185 ? 60.857 31.519 11.767 1.00 25.43 ? 185 PRO A N 1 ATOM 1498 C CA . PRO A 1 185 ? 59.953 30.426 11.425 1.00 26.62 ? 185 PRO A CA 1 ATOM 1499 C C . PRO A 1 185 ? 60.190 29.217 12.321 1.00 27.65 ? 185 PRO A C 1 ATOM 1500 O O . PRO A 1 185 ? 61.325 28.908 12.676 1.00 27.78 ? 185 PRO A O 1 ATOM 1501 C CB . PRO A 1 185 ? 60.323 30.108 9.980 1.00 24.46 ? 185 PRO A CB 1 ATOM 1502 C CG . PRO A 1 185 ? 60.782 31.397 9.456 1.00 24.16 ? 185 PRO A CG 1 ATOM 1503 C CD . PRO A 1 185 ? 61.618 31.945 10.582 1.00 25.73 ? 185 PRO A CD 1 ATOM 1504 N N . LYS A 1 186 ? 59.107 28.555 12.699 1.00 30.77 ? 186 LYS A N 1 ATOM 1505 C CA . LYS A 1 186 ? 59.177 27.338 13.493 1.00 32.88 ? 186 LYS A CA 1 ATOM 1506 C C . LYS A 1 186 ? 58.757 26.279 12.474 1.00 33.15 ? 186 LYS A C 1 ATOM 1507 O O . LYS A 1 186 ? 57.665 26.355 11.907 1.00 32.59 ? 186 LYS A O 1 ATOM 1508 C CB . LYS A 1 186 ? 58.183 27.381 14.649 1.00 35.54 ? 186 LYS A CB 1 ATOM 1509 C CG . LYS A 1 186 ? 58.832 27.339 16.011 1.00 40.79 ? 186 LYS A CG 1 ATOM 1510 C CD . LYS A 1 186 ? 57.814 26.977 17.082 1.00 46.50 ? 186 LYS A CD 1 ATOM 1511 C CE . LYS A 1 186 ? 58.513 26.577 18.380 1.00 50.21 ? 186 LYS A CE 1 ATOM 1512 N NZ . LYS A 1 186 ? 57.567 25.992 19.385 1.00 51.82 ? 186 LYS A NZ 1 ATOM 1513 N N . ALA A 1 187 ? 59.622 25.304 12.229 1.00 32.07 ? 187 ALA A N 1 ATOM 1514 C CA . ALA A 1 187 ? 59.316 24.286 11.242 1.00 32.17 ? 187 ALA A CA 1 ATOM 1515 C C . ALA A 1 187 ? 59.130 22.889 11.797 1.00 32.74 ? 187 ALA A C 1 ATOM 1516 O O . ALA A 1 187 ? 59.593 22.568 12.891 1.00 31.99 ? 187 ALA A O 1 ATOM 1517 C CB . ALA A 1 187 ? 60.405 24.268 10.184 1.00 30.36 ? 187 ALA A CB 1 ATOM 1518 N N . HIS A 1 188 ? 58.424 22.074 11.020 1.00 33.89 ? 188 HIS A N 1 ATOM 1519 C CA . HIS A 1 188 ? 58.180 20.674 11.347 1.00 35.26 ? 188 HIS A CA 1 ATOM 1520 C C . HIS A 1 188 ? 57.651 19.950 10.119 1.00 32.72 ? 188 HIS A C 1 ATOM 1521 O O . HIS A 1 188 ? 57.216 20.576 9.154 1.00 29.93 ? 188 HIS A O 1 ATOM 1522 C CB . HIS A 1 188 ? 57.223 20.508 12.543 1.00 39.85 ? 188 HIS A CB 1 ATOM 1523 C CG . HIS A 1 188 ? 55.810 20.918 12.276 1.00 43.90 ? 188 HIS A CG 1 ATOM 1524 N ND1 . HIS A 1 188 ? 55.405 22.235 12.257 1.00 47.30 ? 188 HIS A ND1 1 ATOM 1525 C CD2 . HIS A 1 188 ? 54.692 20.177 12.073 1.00 47.09 ? 188 HIS A CD2 1 ATOM 1526 C CE1 . HIS A 1 188 ? 54.098 22.290 12.058 1.00 49.45 ? 188 HIS A CE1 1 ATOM 1527 N NE2 . HIS A 1 188 ? 53.642 21.054 11.944 1.00 49.16 ? 188 HIS A NE2 1 ATOM 1528 N N . VAL A 1 189 ? 57.714 18.626 10.150 1.00 31.51 ? 189 VAL A N 1 ATOM 1529 C CA . VAL A 1 189 ? 57.275 17.825 9.017 1.00 31.12 ? 189 VAL A CA 1 ATOM 1530 C C . VAL A 1 189 ? 56.222 16.793 9.398 1.00 31.98 ? 189 VAL A C 1 ATOM 1531 O O . VAL A 1 189 ? 56.338 16.137 10.432 1.00 32.10 ? 189 VAL A O 1 ATOM 1532 C CB . VAL A 1 189 ? 58.478 17.094 8.387 1.00 29.71 ? 189 VAL A CB 1 ATOM 1533 C CG1 . VAL A 1 189 ? 58.034 16.297 7.172 1.00 28.40 ? 189 VAL A CG1 1 ATOM 1534 C CG2 . VAL A 1 189 ? 59.552 18.103 8.014 1.00 28.96 ? 189 VAL A CG2 1 ATOM 1535 N N . THR A 1 190 ? 55.186 16.669 8.571 1.00 32.92 ? 190 THR A N 1 ATOM 1536 C CA . THR A 1 190 ? 54.140 15.690 8.817 1.00 33.05 ? 190 THR A CA 1 ATOM 1537 C C . THR A 1 190 ? 54.229 14.645 7.718 1.00 35.85 ? 190 THR A C 1 ATOM 1538 O O . THR A 1 190 ? 54.717 14.921 6.617 1.00 34.40 ? 190 THR A O 1 ATOM 1539 C CB . THR A 1 190 ? 52.723 16.321 8.850 1.00 32.44 ? 190 THR A CB 1 ATOM 1540 O OG1 . THR A 1 190 ? 52.462 17.017 7.625 1.00 33.08 ? 190 THR A OG1 1 ATOM 1541 C CG2 . THR A 1 190 ? 52.604 17.279 10.030 1.00 30.60 ? 190 THR A CG2 1 ATOM 1542 N N . HIS A 1 191 ? 53.752 13.446 8.035 1.00 39.43 ? 191 HIS A N 1 ATOM 1543 C CA . HIS A 1 191 ? 53.802 12.292 7.144 1.00 41.81 ? 191 HIS A CA 1 ATOM 1544 C C . HIS A 1 191 ? 52.392 11.760 6.858 1.00 42.63 ? 191 HIS A C 1 ATOM 1545 O O . HIS A 1 191 ? 51.573 11.637 7.768 1.00 41.87 ? 191 HIS A O 1 ATOM 1546 C CB . HIS A 1 191 ? 54.681 11.242 7.843 1.00 44.68 ? 191 HIS A CB 1 ATOM 1547 C CG . HIS A 1 191 ? 54.780 9.921 7.141 1.00 48.82 ? 191 HIS A CG 1 ATOM 1548 N ND1 . HIS A 1 191 ? 53.762 8.999 7.146 1.00 50.93 ? 191 HIS A ND1 1 ATOM 1549 C CD2 . HIS A 1 191 ? 55.817 9.344 6.485 1.00 50.31 ? 191 HIS A CD2 1 ATOM 1550 C CE1 . HIS A 1 191 ? 54.166 7.899 6.522 1.00 52.72 ? 191 HIS A CE1 1 ATOM 1551 N NE2 . HIS A 1 191 ? 55.406 8.086 6.115 1.00 52.14 ? 191 HIS A NE2 1 ATOM 1552 N N . HIS A 1 192 ? 52.115 11.465 5.589 1.00 44.44 ? 192 HIS A N 1 ATOM 1553 C CA . HIS A 1 192 ? 50.812 10.940 5.163 1.00 46.51 ? 192 HIS A CA 1 ATOM 1554 C C . HIS A 1 192 ? 50.936 9.811 4.133 1.00 47.17 ? 192 HIS A C 1 ATOM 1555 O O . HIS A 1 192 ? 51.625 9.948 3.118 1.00 45.61 ? 192 HIS A O 1 ATOM 1556 C CB . HIS A 1 192 ? 49.951 12.064 4.587 1.00 48.13 ? 192 HIS A CB 1 ATOM 1557 C CG . HIS A 1 192 ? 49.607 13.125 5.585 1.00 51.51 ? 192 HIS A CG 1 ATOM 1558 N ND1 . HIS A 1 192 ? 48.970 12.847 6.775 1.00 51.54 ? 192 HIS A ND1 1 ATOM 1559 C CD2 . HIS A 1 192 ? 49.824 14.461 5.576 1.00 52.78 ? 192 HIS A CD2 1 ATOM 1560 C CE1 . HIS A 1 192 ? 48.811 13.965 7.458 1.00 51.87 ? 192 HIS A CE1 1 ATOM 1561 N NE2 . HIS A 1 192 ? 49.321 14.959 6.754 1.00 54.11 ? 192 HIS A NE2 1 ATOM 1562 N N . SER A 1 193 ? 50.257 8.697 4.403 1.00 48.03 ? 193 SER A N 1 ATOM 1563 C CA . SER A 1 193 ? 50.298 7.538 3.516 1.00 48.48 ? 193 SER A CA 1 ATOM 1564 C C . SER A 1 193 ? 49.475 7.751 2.256 1.00 48.34 ? 193 SER A C 1 ATOM 1565 O O . SER A 1 193 ? 48.438 8.416 2.277 1.00 46.49 ? 193 SER A O 1 ATOM 1566 C CB . SER A 1 193 ? 49.798 6.283 4.246 1.00 49.08 ? 193 SER A CB 1 ATOM 1567 O OG . SER A 1 193 ? 48.413 6.368 4.549 1.00 51.03 ? 193 SER A OG 1 ATOM 1568 N N . ARG A 1 194 ? 49.952 7.186 1.155 1.00 49.74 ? 194 ARG A N 1 ATOM 1569 C CA . ARG A 1 194 ? 49.260 7.304 -0.116 1.00 52.83 ? 194 ARG A CA 1 ATOM 1570 C C . ARG A 1 194 ? 49.111 5.913 -0.696 1.00 54.56 ? 194 ARG A C 1 ATOM 1571 O O . ARG A 1 194 ? 49.751 4.965 -0.238 1.00 55.75 ? 194 ARG A O 1 ATOM 1572 C CB . ARG A 1 194 ? 50.059 8.174 -1.088 1.00 53.96 ? 194 ARG A CB 1 ATOM 1573 C CG . ARG A 1 194 ? 50.630 9.429 -0.458 1.00 55.25 ? 194 ARG A CG 1 ATOM 1574 C CD . ARG A 1 194 ? 51.376 10.296 -1.461 1.00 56.69 ? 194 ARG A CD 1 ATOM 1575 N NE . ARG A 1 194 ? 50.476 11.053 -2.330 1.00 57.73 ? 194 ARG A NE 1 ATOM 1576 C CZ . ARG A 1 194 ? 49.979 10.608 -3.479 1.00 58.22 ? 194 ARG A CZ 1 ATOM 1577 N NH1 . ARG A 1 194 ? 50.291 9.394 -3.921 1.00 59.34 ? 194 ARG A NH1 1 ATOM 1578 N NH2 . ARG A 1 194 ? 49.167 11.382 -4.187 1.00 57.45 ? 194 ARG A NH2 1 ATOM 1579 N N . PRO A 1 195 ? 48.240 5.761 -1.696 1.00 56.22 ? 195 PRO A N 1 ATOM 1580 C CA . PRO A 1 195 ? 48.071 4.440 -2.293 1.00 58.43 ? 195 PRO A CA 1 ATOM 1581 C C . PRO A 1 195 ? 49.329 4.070 -3.078 1.00 60.93 ? 195 PRO A C 1 ATOM 1582 O O . PRO A 1 195 ? 49.968 4.932 -3.695 1.00 61.35 ? 195 PRO A O 1 ATOM 1583 C CB . PRO A 1 195 ? 46.861 4.629 -3.200 1.00 57.33 ? 195 PRO A CB 1 ATOM 1584 C CG . PRO A 1 195 ? 46.078 5.681 -2.494 1.00 57.29 ? 195 PRO A CG 1 ATOM 1585 C CD . PRO A 1 195 ? 47.151 6.660 -2.107 1.00 57.07 ? 195 PRO A CD 1 ATOM 1586 N N . GLU A 1 196 ? 49.685 2.791 -3.036 1.00 62.51 ? 196 GLU A N 1 ATOM 1587 C CA . GLU A 1 196 ? 50.848 2.277 -3.746 1.00 63.80 ? 196 GLU A CA 1 ATOM 1588 C C . GLU A 1 196 ? 52.195 2.720 -3.183 1.00 62.89 ? 196 GLU A C 1 ATOM 1589 O O . GLU A 1 196 ? 52.957 3.434 -3.831 1.00 62.88 ? 196 GLU A O 1 ATOM 1590 C CB . GLU A 1 196 ? 50.750 2.628 -5.237 1.00 66.44 ? 196 GLU A CB 1 ATOM 1591 C CG . GLU A 1 196 ? 49.519 2.021 -5.919 1.00 69.94 ? 196 GLU A CG 1 ATOM 1592 C CD . GLU A 1 196 ? 49.611 2.033 -7.435 1.00 72.54 ? 196 GLU A CD 1 ATOM 1593 O OE1 . GLU A 1 196 ? 49.786 3.133 -8.010 1.00 73.95 ? 196 GLU A OE1 1 ATOM 1594 O OE2 . GLU A 1 196 ? 49.504 0.943 -8.047 1.00 72.36 ? 196 GLU A OE2 1 ATOM 1595 N N . ASP A 1 197 ? 52.468 2.270 -1.965 1.00 62.77 ? 197 ASP A N 1 ATOM 1596 C CA . ASP A 1 197 ? 53.714 2.543 -1.257 1.00 62.98 ? 197 ASP A CA 1 ATOM 1597 C C . ASP A 1 197 ? 54.353 3.916 -1.475 1.00 62.02 ? 197 ASP A C 1 ATOM 1598 O O . ASP A 1 197 ? 55.569 4.023 -1.646 1.00 62.76 ? 197 ASP A O 1 ATOM 1599 C CB . ASP A 1 197 ? 54.730 1.445 -1.586 1.00 64.75 ? 197 ASP A CB 1 ATOM 1600 C CG . ASP A 1 197 ? 54.187 0.050 -1.322 1.00 66.32 ? 197 ASP A CG 1 ATOM 1601 O OD1 . ASP A 1 197 ? 53.191 -0.334 -1.969 1.00 67.38 ? 197 ASP A OD1 1 ATOM 1602 O OD2 . ASP A 1 197 ? 54.753 -0.664 -0.468 1.00 67.87 ? 197 ASP A OD2 1 ATOM 1603 N N . LYS A 1 198 ? 53.536 4.964 -1.459 1.00 59.57 ? 198 LYS A N 1 ATOM 1604 C CA . LYS A 1 198 ? 54.034 6.324 -1.630 1.00 56.23 ? 198 LYS A CA 1 ATOM 1605 C C . LYS A 1 198 ? 53.522 7.145 -0.462 1.00 53.49 ? 198 LYS A C 1 ATOM 1606 O O . LYS A 1 198 ? 52.437 6.881 0.053 1.00 53.31 ? 198 LYS A O 1 ATOM 1607 C CB . LYS A 1 198 ? 53.529 6.920 -2.944 1.00 56.71 ? 198 LYS A CB 1 ATOM 1608 C CG . LYS A 1 198 ? 53.987 6.159 -4.169 1.00 56.86 ? 198 LYS A CG 1 ATOM 1609 C CD . LYS A 1 198 ? 53.071 6.419 -5.346 1.00 59.43 ? 198 LYS A CD 1 ATOM 1610 C CE . LYS A 1 198 ? 53.154 5.274 -6.356 1.00 61.75 ? 198 LYS A CE 1 ATOM 1611 N NZ . LYS A 1 198 ? 52.039 5.300 -7.350 1.00 61.95 ? 198 LYS A NZ 1 ATOM 1612 N N . VAL A 1 199 ? 54.307 8.124 -0.029 1.00 50.35 ? 199 VAL A N 1 ATOM 1613 C CA . VAL A 1 199 ? 53.892 8.970 1.080 1.00 47.71 ? 199 VAL A CA 1 ATOM 1614 C C . VAL A 1 199 ? 54.056 10.450 0.760 1.00 44.97 ? 199 VAL A C 1 ATOM 1615 O O . VAL A 1 199 ? 54.906 10.839 -0.037 1.00 44.25 ? 199 VAL A O 1 ATOM 1616 C CB . VAL A 1 199 ? 54.691 8.661 2.372 1.00 48.32 ? 199 VAL A CB 1 ATOM 1617 C CG1 . VAL A 1 199 ? 54.706 7.161 2.633 1.00 48.77 ? 199 VAL A CG1 1 ATOM 1618 C CG2 . VAL A 1 199 ? 56.100 9.207 2.262 1.00 48.46 ? 199 VAL A CG2 1 ATOM 1619 N N . THR A 1 200 ? 53.216 11.269 1.379 1.00 42.46 ? 200 THR A N 1 ATOM 1620 C CA . THR A 1 200 ? 53.279 12.710 1.200 1.00 38.10 ? 200 THR A CA 1 ATOM 1621 C C . THR A 1 200 ? 54.047 13.277 2.376 1.00 36.06 ? 200 THR A C 1 ATOM 1622 O O . THR A 1 200 ? 53.711 12.999 3.524 1.00 35.08 ? 200 THR A O 1 ATOM 1623 C CB . THR A 1 200 ? 51.882 13.368 1.226 1.00 37.73 ? 200 THR A CB 1 ATOM 1624 O OG1 . THR A 1 200 ? 51.147 13.011 0.048 1.00 38.55 ? 200 THR A OG1 1 ATOM 1625 C CG2 . THR A 1 200 ? 52.019 14.887 1.306 1.00 36.02 ? 200 THR A CG2 1 ATOM 1626 N N . LEU A 1 201 ? 55.090 14.049 2.101 1.00 35.18 ? 201 LEU A N 1 ATOM 1627 C CA . LEU A 1 201 ? 55.843 14.684 3.175 1.00 32.62 ? 201 LEU A CA 1 ATOM 1628 C C . LEU A 1 201 ? 55.492 16.163 3.108 1.00 32.58 ? 201 LEU A C 1 ATOM 1629 O O . LEU A 1 201 ? 55.544 16.782 2.042 1.00 31.72 ? 201 LEU A O 1 ATOM 1630 C CB . LEU A 1 201 ? 57.345 14.472 2.997 1.00 31.69 ? 201 LEU A CB 1 ATOM 1631 C CG . LEU A 1 201 ? 57.815 13.027 3.179 1.00 33.68 ? 201 LEU A CG 1 ATOM 1632 C CD1 . LEU A 1 201 ? 59.330 12.977 3.101 1.00 35.83 ? 201 LEU A CD1 1 ATOM 1633 C CD2 . LEU A 1 201 ? 57.359 12.494 4.522 1.00 33.54 ? 201 LEU A CD2 1 ATOM 1634 N N . ARG A 1 202 ? 55.102 16.726 4.243 1.00 32.57 ? 202 ARG A N 1 ATOM 1635 C CA . ARG A 1 202 ? 54.726 18.130 4.279 1.00 31.41 ? 202 ARG A CA 1 ATOM 1636 C C . ARG A 1 202 ? 55.573 18.924 5.252 1.00 31.12 ? 202 ARG A C 1 ATOM 1637 O O . ARG A 1 202 ? 55.672 18.589 6.435 1.00 31.42 ? 202 ARG A O 1 ATOM 1638 C CB . ARG A 1 202 ? 53.256 18.276 4.659 1.00 29.07 ? 202 ARG A CB 1 ATOM 1639 C CG . ARG A 1 202 ? 52.760 19.710 4.647 1.00 30.19 ? 202 ARG A CG 1 ATOM 1640 C CD . ARG A 1 202 ? 51.546 19.803 3.761 1.00 31.52 ? 202 ARG A CD 1 ATOM 1641 N NE . ARG A 1 202 ? 50.598 18.761 4.128 1.00 34.70 ? 202 ARG A NE 1 ATOM 1642 C CZ . ARG A 1 202 ? 49.765 18.166 3.285 1.00 33.63 ? 202 ARG A CZ 1 ATOM 1643 N NH1 . ARG A 1 202 ? 49.742 18.502 2.003 1.00 32.64 ? 202 ARG A NH1 1 ATOM 1644 N NH2 . ARG A 1 202 ? 48.966 17.212 3.734 1.00 37.00 ? 202 ARG A NH2 1 ATOM 1645 N N . CYS A 1 203 ? 56.174 19.987 4.739 1.00 29.92 ? 203 CYS A N 1 ATOM 1646 C CA . CYS A 1 203 ? 57.008 20.850 5.541 1.00 29.10 ? 203 CYS A CA 1 ATOM 1647 C C . CYS A 1 203 ? 56.246 22.125 5.881 1.00 27.90 ? 203 CYS A C 1 ATOM 1648 O O . CYS A 1 203 ? 55.737 22.808 4.998 1.00 28.15 ? 203 CYS A O 1 ATOM 1649 C CB . CYS A 1 203 ? 58.254 21.205 4.769 1.00 32.24 ? 203 CYS A CB 1 ATOM 1650 S SG . CYS A 1 203 ? 59.489 22.026 5.804 1.00 38.20 ? 203 CYS A SG 1 ATOM 1651 N N . TRP A 1 204 ? 56.179 22.439 7.167 1.00 25.65 ? 204 TRP A N 1 ATOM 1652 C CA . TRP A 1 204 ? 55.470 23.616 7.637 1.00 24.13 ? 204 TRP A CA 1 ATOM 1653 C C . TRP A 1 204 ? 56.411 24.651 8.235 1.00 23.42 ? 204 TRP A C 1 ATOM 1654 O O . TRP A 1 204 ? 57.317 24.315 8.998 1.00 24.16 ? 204 TRP A O 1 ATOM 1655 C CB . TRP A 1 204 ? 54.451 23.240 8.726 1.00 23.36 ? 204 TRP A CB 1 ATOM 1656 C CG . TRP A 1 204 ? 53.289 22.405 8.281 1.00 23.40 ? 204 TRP A CG 1 ATOM 1657 C CD1 . TRP A 1 204 ? 53.272 21.054 8.090 1.00 23.85 ? 204 TRP A CD1 1 ATOM 1658 C CD2 . TRP A 1 204 ? 51.956 22.862 8.016 1.00 23.75 ? 204 TRP A CD2 1 ATOM 1659 N NE1 . TRP A 1 204 ? 52.012 20.641 7.726 1.00 24.20 ? 204 TRP A NE1 1 ATOM 1660 C CE2 . TRP A 1 204 ? 51.183 21.732 7.674 1.00 23.89 ? 204 TRP A CE2 1 ATOM 1661 C CE3 . TRP A 1 204 ? 51.338 24.122 8.033 1.00 24.45 ? 204 TRP A CE3 1 ATOM 1662 C CZ2 . TRP A 1 204 ? 49.822 21.818 7.353 1.00 24.25 ? 204 TRP A CZ2 1 ATOM 1663 C CZ3 . TRP A 1 204 ? 49.977 24.209 7.710 1.00 24.19 ? 204 TRP A CZ3 1 ATOM 1664 C CH2 . TRP A 1 204 ? 49.239 23.062 7.375 1.00 23.79 ? 204 TRP A CH2 1 ATOM 1665 N N . ALA A 1 205 ? 56.188 25.912 7.886 1.00 21.98 ? 205 ALA A N 1 ATOM 1666 C CA . ALA A 1 205 ? 56.964 27.019 8.436 1.00 18.21 ? 205 ALA A CA 1 ATOM 1667 C C . ALA A 1 205 ? 55.899 27.846 9.161 1.00 17.13 ? 205 ALA A C 1 ATOM 1668 O O . ALA A 1 205 ? 54.960 28.314 8.518 1.00 16.51 ? 205 ALA A O 1 ATOM 1669 C CB . ALA A 1 205 ? 57.596 27.811 7.323 1.00 15.83 ? 205 ALA A CB 1 ATOM 1670 N N . LEU A 1 206 ? 56.023 28.010 10.484 1.00 17.24 ? 206 LEU A N 1 ATOM 1671 C CA . LEU A 1 206 ? 55.018 28.763 11.255 1.00 18.97 ? 206 LEU A CA 1 ATOM 1672 C C . LEU A 1 206 ? 55.520 29.948 12.080 1.00 18.01 ? 206 LEU A C 1 ATOM 1673 O O . LEU A 1 206 ? 56.663 29.975 12.516 1.00 16.57 ? 206 LEU A O 1 ATOM 1674 C CB . LEU A 1 206 ? 54.267 27.834 12.226 1.00 21.15 ? 206 LEU A CB 1 ATOM 1675 C CG . LEU A 1 206 ? 53.985 26.370 11.887 1.00 24.42 ? 206 LEU A CG 1 ATOM 1676 C CD1 . LEU A 1 206 ? 53.319 25.721 13.084 1.00 26.43 ? 206 LEU A CD1 1 ATOM 1677 C CD2 . LEU A 1 206 ? 53.110 26.256 10.649 1.00 26.35 ? 206 LEU A CD2 1 ATOM 1678 N N . GLY A 1 207 ? 54.621 30.907 12.300 1.00 19.47 ? 207 GLY A N 1 ATOM 1679 C CA . GLY A 1 207 ? 54.888 32.089 13.114 1.00 20.85 ? 207 GLY A CA 1 ATOM 1680 C C . GLY A 1 207 ? 56.008 33.032 12.724 1.00 22.46 ? 207 GLY A C 1 ATOM 1681 O O . GLY A 1 207 ? 56.625 33.658 13.585 1.00 23.25 ? 207 GLY A O 1 ATOM 1682 N N . PHE A 1 208 ? 56.259 33.169 11.432 1.00 22.64 ? 208 PHE A N 1 ATOM 1683 C CA . PHE A 1 208 ? 57.334 34.031 10.975 1.00 23.24 ? 208 PHE A CA 1 ATOM 1684 C C . PHE A 1 208 ? 56.889 35.404 10.458 1.00 24.78 ? 208 PHE A C 1 ATOM 1685 O O . PHE A 1 208 ? 55.735 35.596 10.061 1.00 24.40 ? 208 PHE A O 1 ATOM 1686 C CB . PHE A 1 208 ? 58.116 33.303 9.891 1.00 18.58 ? 208 PHE A CB 1 ATOM 1687 C CG . PHE A 1 208 ? 57.282 32.904 8.710 1.00 16.37 ? 208 PHE A CG 1 ATOM 1688 C CD1 . PHE A 1 208 ? 57.079 33.792 7.653 1.00 14.64 ? 208 PHE A CD1 1 ATOM 1689 C CD2 . PHE A 1 208 ? 56.732 31.625 8.631 1.00 13.46 ? 208 PHE A CD2 1 ATOM 1690 C CE1 . PHE A 1 208 ? 56.351 33.416 6.527 1.00 13.30 ? 208 PHE A CE1 1 ATOM 1691 C CE2 . PHE A 1 208 ? 55.997 31.236 7.512 1.00 13.89 ? 208 PHE A CE2 1 ATOM 1692 C CZ . PHE A 1 208 ? 55.808 32.133 6.454 1.00 15.43 ? 208 PHE A CZ 1 ATOM 1693 N N . TYR A 1 209 ? 57.825 36.352 10.478 1.00 25.70 ? 209 TYR A N 1 ATOM 1694 C CA . TYR A 1 209 ? 57.588 37.714 9.999 1.00 25.15 ? 209 TYR A CA 1 ATOM 1695 C C . TYR A 1 209 ? 58.934 38.320 9.619 1.00 24.53 ? 209 TYR A C 1 ATOM 1696 O O . TYR A 1 209 ? 59.911 38.175 10.352 1.00 25.18 ? 209 TYR A O 1 ATOM 1697 C CB . TYR A 1 209 ? 56.941 38.587 11.086 1.00 23.89 ? 209 TYR A CB 1 ATOM 1698 C CG . TYR A 1 209 ? 56.458 39.917 10.546 1.00 23.48 ? 209 TYR A CG 1 ATOM 1699 C CD1 . TYR A 1 209 ? 55.179 40.047 9.995 1.00 23.55 ? 209 TYR A CD1 1 ATOM 1700 C CD2 . TYR A 1 209 ? 57.315 41.016 10.487 1.00 23.46 ? 209 TYR A CD2 1 ATOM 1701 C CE1 . TYR A 1 209 ? 54.772 41.236 9.388 1.00 23.66 ? 209 TYR A CE1 1 ATOM 1702 C CE2 . TYR A 1 209 ? 56.923 42.205 9.882 1.00 23.31 ? 209 TYR A CE2 1 ATOM 1703 C CZ . TYR A 1 209 ? 55.655 42.311 9.334 1.00 24.35 ? 209 TYR A CZ 1 ATOM 1704 O OH . TYR A 1 209 ? 55.283 43.482 8.715 1.00 23.46 ? 209 TYR A OH 1 ATOM 1705 N N . PRO A 1 210 ? 59.004 39.017 8.478 1.00 24.75 ? 210 PRO A N 1 ATOM 1706 C CA . PRO A 1 210 ? 57.920 39.277 7.527 1.00 24.62 ? 210 PRO A CA 1 ATOM 1707 C C . PRO A 1 210 ? 57.472 38.067 6.707 1.00 25.54 ? 210 PRO A C 1 ATOM 1708 O O . PRO A 1 210 ? 57.989 36.960 6.850 1.00 23.84 ? 210 PRO A O 1 ATOM 1709 C CB . PRO A 1 210 ? 58.489 40.392 6.655 1.00 24.71 ? 210 PRO A CB 1 ATOM 1710 C CG . PRO A 1 210 ? 59.947 40.084 6.644 1.00 25.42 ? 210 PRO A CG 1 ATOM 1711 C CD . PRO A 1 210 ? 60.220 39.751 8.090 1.00 25.13 ? 210 PRO A CD 1 ATOM 1712 N N . ALA A 1 211 ? 56.502 38.310 5.835 1.00 26.48 ? 211 ALA A N 1 ATOM 1713 C CA . ALA A 1 211 ? 55.921 37.281 4.998 1.00 26.05 ? 211 ALA A CA 1 ATOM 1714 C C . ALA A 1 211 ? 56.885 36.537 4.080 1.00 29.02 ? 211 ALA A C 1 ATOM 1715 O O . ALA A 1 211 ? 56.790 35.313 3.958 1.00 29.73 ? 211 ALA A O 1 ATOM 1716 C CB . ALA A 1 211 ? 54.798 37.881 4.181 1.00 24.56 ? 211 ALA A CB 1 ATOM 1717 N N . ASP A 1 212 ? 57.802 37.254 3.428 1.00 29.53 ? 212 ASP A N 1 ATOM 1718 C CA . ASP A 1 212 ? 58.729 36.607 2.504 1.00 30.09 ? 212 ASP A CA 1 ATOM 1719 C C . ASP A 1 212 ? 59.496 35.427 3.107 1.00 29.31 ? 212 ASP A C 1 ATOM 1720 O O . ASP A 1 212 ? 60.150 35.548 4.142 1.00 29.70 ? 212 ASP A O 1 ATOM 1721 C CB . ASP A 1 212 ? 59.722 37.614 1.932 1.00 35.18 ? 212 ASP A CB 1 ATOM 1722 C CG . ASP A 1 212 ? 60.599 36.999 0.844 1.00 41.37 ? 212 ASP A CG 1 ATOM 1723 O OD1 . ASP A 1 212 ? 60.035 36.566 -0.193 1.00 42.31 ? 212 ASP A OD1 1 ATOM 1724 O OD2 . ASP A 1 212 ? 61.841 36.935 1.029 1.00 43.40 ? 212 ASP A OD2 1 ATOM 1725 N N . ILE A 1 213 ? 59.431 34.287 2.430 1.00 27.00 ? 213 ILE A N 1 ATOM 1726 C CA . ILE A 1 213 ? 60.087 33.080 2.904 1.00 26.53 ? 213 ILE A CA 1 ATOM 1727 C C . ILE A 1 213 ? 60.259 32.131 1.727 1.00 27.71 ? 213 ILE A C 1 ATOM 1728 O O . ILE A 1 213 ? 59.599 32.279 0.701 1.00 27.32 ? 213 ILE A O 1 ATOM 1729 C CB . ILE A 1 213 ? 59.209 32.383 3.983 1.00 25.43 ? 213 ILE A CB 1 ATOM 1730 C CG1 . ILE A 1 213 ? 60.016 31.345 4.766 1.00 22.69 ? 213 ILE A CG1 1 ATOM 1731 C CG2 . ILE A 1 213 ? 58.002 31.709 3.311 1.00 23.43 ? 213 ILE A CG2 1 ATOM 1732 C CD1 . ILE A 1 213 ? 59.252 30.741 5.942 1.00 17.42 ? 213 ILE A CD1 1 ATOM 1733 N N . THR A 1 214 ? 61.145 31.155 1.877 1.00 29.71 ? 214 THR A N 1 ATOM 1734 C CA . THR A 1 214 ? 61.361 30.172 0.827 1.00 31.60 ? 214 THR A CA 1 ATOM 1735 C C . THR A 1 214 ? 61.398 28.768 1.436 1.00 32.46 ? 214 THR A C 1 ATOM 1736 O O . THR A 1 214 ? 62.104 28.524 2.425 1.00 32.49 ? 214 THR A O 1 ATOM 1737 C CB . THR A 1 214 ? 62.686 30.429 0.068 1.00 33.08 ? 214 THR A CB 1 ATOM 1738 O OG1 . THR A 1 214 ? 62.716 31.781 -0.407 1.00 33.73 ? 214 THR A OG1 1 ATOM 1739 C CG2 . THR A 1 214 ? 62.801 29.493 -1.123 1.00 30.35 ? 214 THR A CG2 1 ATOM 1740 N N . LEU A 1 215 ? 60.620 27.860 0.848 1.00 31.88 ? 215 LEU A N 1 ATOM 1741 C CA . LEU A 1 215 ? 60.549 26.464 1.289 1.00 31.25 ? 215 LEU A CA 1 ATOM 1742 C C . LEU A 1 215 ? 60.903 25.579 0.114 1.00 31.60 ? 215 LEU A C 1 ATOM 1743 O O . LEU A 1 215 ? 60.248 25.637 -0.925 1.00 32.68 ? 215 LEU A O 1 ATOM 1744 C CB . LEU A 1 215 ? 59.141 26.107 1.752 1.00 30.91 ? 215 LEU A CB 1 ATOM 1745 C CG . LEU A 1 215 ? 58.675 26.547 3.134 1.00 30.30 ? 215 LEU A CG 1 ATOM 1746 C CD1 . LEU A 1 215 ? 57.201 26.182 3.283 1.00 30.18 ? 215 LEU A CD1 1 ATOM 1747 C CD2 . LEU A 1 215 ? 59.514 25.873 4.210 1.00 29.84 ? 215 LEU A CD2 1 ATOM 1748 N N . THR A 1 216 ? 61.926 24.749 0.276 1.00 31.98 ? 216 THR A N 1 ATOM 1749 C CA . THR A 1 216 ? 62.353 23.873 -0.804 1.00 32.99 ? 216 THR A CA 1 ATOM 1750 C C . THR A 1 216 ? 62.628 22.452 -0.329 1.00 33.24 ? 216 THR A C 1 ATOM 1751 O O . THR A 1 216 ? 63.161 22.243 0.760 1.00 34.29 ? 216 THR A O 1 ATOM 1752 C CB . THR A 1 216 ? 63.633 24.407 -1.459 1.00 34.74 ? 216 THR A CB 1 ATOM 1753 O OG1 . THR A 1 216 ? 64.727 24.283 -0.540 1.00 37.82 ? 216 THR A OG1 1 ATOM 1754 C CG2 . THR A 1 216 ? 63.467 25.875 -1.832 1.00 34.18 ? 216 THR A CG2 1 ATOM 1755 N N . TRP A 1 217 ? 62.253 21.477 -1.149 1.00 33.32 ? 217 TRP A N 1 ATOM 1756 C CA . TRP A 1 217 ? 62.488 20.073 -0.830 1.00 33.50 ? 217 TRP A CA 1 ATOM 1757 C C . TRP A 1 217 ? 63.693 19.588 -1.628 1.00 35.84 ? 217 TRP A C 1 ATOM 1758 O O . TRP A 1 217 ? 63.824 19.901 -2.807 1.00 35.55 ? 217 TRP A O 1 ATOM 1759 C CB . TRP A 1 217 ? 61.267 19.225 -1.189 1.00 30.26 ? 217 TRP A CB 1 ATOM 1760 C CG . TRP A 1 217 ? 60.284 19.103 -0.084 1.00 24.51 ? 217 TRP A CG 1 ATOM 1761 C CD1 . TRP A 1 217 ? 59.078 19.728 0.013 1.00 23.81 ? 217 TRP A CD1 1 ATOM 1762 C CD2 . TRP A 1 217 ? 60.441 18.337 1.115 1.00 21.70 ? 217 TRP A CD2 1 ATOM 1763 N NE1 . TRP A 1 217 ? 58.472 19.405 1.202 1.00 22.64 ? 217 TRP A NE1 1 ATOM 1764 C CE2 . TRP A 1 217 ? 59.286 18.552 1.899 1.00 21.56 ? 217 TRP A CE2 1 ATOM 1765 C CE3 . TRP A 1 217 ? 61.445 17.492 1.604 1.00 19.49 ? 217 TRP A CE3 1 ATOM 1766 C CZ2 . TRP A 1 217 ? 59.105 17.949 3.153 1.00 19.88 ? 217 TRP A CZ2 1 ATOM 1767 C CZ3 . TRP A 1 217 ? 61.267 16.892 2.857 1.00 18.90 ? 217 TRP A CZ3 1 ATOM 1768 C CH2 . TRP A 1 217 ? 60.104 17.126 3.613 1.00 20.43 ? 217 TRP A CH2 1 ATOM 1769 N N . GLN A 1 218 ? 64.567 18.820 -0.990 1.00 39.20 ? 218 GLN A N 1 ATOM 1770 C CA . GLN A 1 218 ? 65.755 18.318 -1.668 1.00 43.38 ? 218 GLN A CA 1 ATOM 1771 C C . GLN A 1 218 ? 65.963 16.808 -1.575 1.00 46.24 ? 218 GLN A C 1 ATOM 1772 O O . GLN A 1 218 ? 65.507 16.151 -0.639 1.00 46.11 ? 218 GLN A O 1 ATOM 1773 C CB . GLN A 1 218 ? 67.000 19.039 -1.136 1.00 42.35 ? 218 GLN A CB 1 ATOM 1774 C CG . GLN A 1 218 ? 67.294 20.356 -1.835 1.00 43.22 ? 218 GLN A CG 1 ATOM 1775 C CD . GLN A 1 218 ? 68.302 21.203 -1.080 1.00 44.94 ? 218 GLN A CD 1 ATOM 1776 O OE1 . GLN A 1 218 ? 69.339 20.708 -0.637 1.00 45.43 ? 218 GLN A OE1 1 ATOM 1777 N NE2 . GLN A 1 218 ? 68.002 22.491 -0.932 1.00 45.45 ? 218 GLN A NE2 1 ATOM 1778 N N . LEU A 1 219 ? 66.663 16.275 -2.571 1.00 50.49 ? 219 LEU A N 1 ATOM 1779 C CA . LEU A 1 219 ? 66.986 14.853 -2.646 1.00 53.84 ? 219 LEU A CA 1 ATOM 1780 C C . LEU A 1 219 ? 68.406 14.737 -3.183 1.00 56.69 ? 219 LEU A C 1 ATOM 1781 O O . LEU A 1 219 ? 68.650 14.977 -4.362 1.00 56.25 ? 219 LEU A O 1 ATOM 1782 C CB . LEU A 1 219 ? 66.020 14.127 -3.588 1.00 52.45 ? 219 LEU A CB 1 ATOM 1783 C CG . LEU A 1 219 ? 66.339 12.663 -3.919 1.00 51.32 ? 219 LEU A CG 1 ATOM 1784 C CD1 . LEU A 1 219 ? 66.345 11.825 -2.653 1.00 49.78 ? 219 LEU A CD1 1 ATOM 1785 C CD2 . LEU A 1 219 ? 65.313 12.130 -4.907 1.00 50.62 ? 219 LEU A CD2 1 ATOM 1786 N N . ASN A 1 220 ? 69.341 14.373 -2.315 1.00 60.92 ? 220 ASN A N 1 ATOM 1787 C CA . ASN A 1 220 ? 70.739 14.243 -2.717 1.00 65.77 ? 220 ASN A CA 1 ATOM 1788 C C . ASN A 1 220 ? 71.313 15.591 -3.158 1.00 68.20 ? 220 ASN A C 1 ATOM 1789 O O . ASN A 1 220 ? 72.112 15.660 -4.097 1.00 69.00 ? 220 ASN A O 1 ATOM 1790 C CB . ASN A 1 220 ? 70.889 13.230 -3.866 1.00 67.53 ? 220 ASN A CB 1 ATOM 1791 C CG . ASN A 1 220 ? 70.480 11.815 -3.467 1.00 69.89 ? 220 ASN A CG 1 ATOM 1792 O OD1 . ASN A 1 220 ? 70.939 11.281 -2.452 1.00 70.82 ? 220 ASN A OD1 1 ATOM 1793 N ND2 . ASN A 1 220 ? 69.622 11.198 -4.277 1.00 69.43 ? 220 ASN A ND2 1 ATOM 1794 N N . GLY A 1 221 ? 70.897 16.662 -2.487 1.00 69.61 ? 221 GLY A N 1 ATOM 1795 C CA . GLY A 1 221 ? 71.402 17.982 -2.822 1.00 71.57 ? 221 GLY A CA 1 ATOM 1796 C C . GLY A 1 221 ? 70.641 18.747 -3.891 1.00 73.28 ? 221 GLY A C 1 ATOM 1797 O O . GLY A 1 221 ? 70.824 19.959 -4.030 1.00 73.74 ? 221 GLY A O 1 ATOM 1798 N N . GLU A 1 222 ? 69.792 18.059 -4.649 1.00 73.82 ? 222 GLU A N 1 ATOM 1799 C CA . GLU A 1 222 ? 69.021 18.717 -5.701 1.00 75.09 ? 222 GLU A CA 1 ATOM 1800 C C . GLU A 1 222 ? 67.627 19.128 -5.232 1.00 74.41 ? 222 GLU A C 1 ATOM 1801 O O . GLU A 1 222 ? 67.052 18.506 -4.340 1.00 73.78 ? 222 GLU A O 1 ATOM 1802 C CB . GLU A 1 222 ? 68.904 17.796 -6.921 1.00 77.95 ? 222 GLU A CB 1 ATOM 1803 C CG . GLU A 1 222 ? 68.432 16.387 -6.583 1.00 81.41 ? 222 GLU A CG 1 ATOM 1804 C CD . GLU A 1 222 ? 68.232 15.504 -7.805 1.00 82.73 ? 222 GLU A CD 1 ATOM 1805 O OE1 . GLU A 1 222 ? 69.185 15.353 -8.601 1.00 82.95 ? 222 GLU A OE1 1 ATOM 1806 O OE2 . GLU A 1 222 ? 67.119 14.955 -7.961 1.00 83.53 ? 222 GLU A OE2 1 ATOM 1807 N N . GLU A 1 223 ? 67.091 20.183 -5.837 1.00 74.09 ? 223 GLU A N 1 ATOM 1808 C CA . GLU A 1 223 ? 65.760 20.669 -5.492 1.00 74.14 ? 223 GLU A CA 1 ATOM 1809 C C . GLU A 1 223 ? 64.674 19.986 -6.315 1.00 74.05 ? 223 GLU A C 1 ATOM 1810 O O . GLU A 1 223 ? 64.934 19.461 -7.395 1.00 73.71 ? 223 GLU A O 1 ATOM 1811 C CB . GLU A 1 223 ? 65.673 22.183 -5.689 1.00 74.01 ? 223 GLU A CB 1 ATOM 1812 C CG . GLU A 1 223 ? 66.285 22.992 -4.562 1.00 74.02 ? 223 GLU A CG 1 ATOM 1813 C CD . GLU A 1 223 ? 66.058 24.483 -4.730 1.00 74.32 ? 223 GLU A CD 1 ATOM 1814 O OE1 . GLU A 1 223 ? 64.908 24.882 -5.013 1.00 74.05 ? 223 GLU A OE1 1 ATOM 1815 O OE2 . GLU A 1 223 ? 67.027 25.256 -4.570 1.00 74.19 ? 223 GLU A OE2 1 ATOM 1816 N N . LEU A 1 224 ? 63.451 20.008 -5.796 1.00 74.96 ? 224 LEU A N 1 ATOM 1817 C CA . LEU A 1 224 ? 62.319 19.380 -6.462 1.00 75.96 ? 224 LEU A CA 1 ATOM 1818 C C . LEU A 1 224 ? 61.177 20.367 -6.647 1.00 77.36 ? 224 LEU A C 1 ATOM 1819 O O . LEU A 1 224 ? 60.012 20.003 -6.494 1.00 77.94 ? 224 LEU A O 1 ATOM 1820 C CB . LEU A 1 224 ? 61.820 18.196 -5.633 1.00 75.16 ? 224 LEU A CB 1 ATOM 1821 C CG . LEU A 1 224 ? 62.850 17.158 -5.186 1.00 74.21 ? 224 LEU A CG 1 ATOM 1822 C CD1 . LEU A 1 224 ? 62.208 16.224 -4.183 1.00 74.03 ? 224 LEU A CD1 1 ATOM 1823 C CD2 . LEU A 1 224 ? 63.375 16.389 -6.384 1.00 74.12 ? 224 LEU A CD2 1 ATOM 1824 N N . ILE A 1 225 ? 61.508 21.615 -6.968 1.00 78.88 ? 225 ILE A N 1 ATOM 1825 C CA . ILE A 1 225 ? 60.491 22.644 -7.172 1.00 80.78 ? 225 ILE A CA 1 ATOM 1826 C C . ILE A 1 225 ? 59.490 22.216 -8.244 1.00 82.29 ? 225 ILE A C 1 ATOM 1827 O O . ILE A 1 225 ? 58.385 22.756 -8.331 1.00 82.84 ? 225 ILE A O 1 ATOM 1828 C CB . ILE A 1 225 ? 61.147 24.008 -7.559 1.00 80.49 ? 225 ILE A CB 1 ATOM 1829 C CG1 . ILE A 1 225 ? 61.261 24.900 -6.319 1.00 80.13 ? 225 ILE A CG1 1 ATOM 1830 C CG2 . ILE A 1 225 ? 60.336 24.721 -8.627 1.00 80.22 ? 225 ILE A CG2 1 ATOM 1831 C CD1 . ILE A 1 225 ? 62.101 24.312 -5.209 1.00 80.86 ? 225 ILE A CD1 1 ATOM 1832 N N . GLN A 1 226 ? 59.878 21.225 -9.040 1.00 83.33 ? 226 GLN A N 1 ATOM 1833 C CA . GLN A 1 226 ? 59.035 20.714 -10.114 1.00 84.33 ? 226 GLN A CA 1 ATOM 1834 C C . GLN A 1 226 ? 57.857 19.842 -9.650 1.00 83.56 ? 226 GLN A C 1 ATOM 1835 O O . GLN A 1 226 ? 56.718 20.053 -10.073 1.00 83.39 ? 226 GLN A O 1 ATOM 1836 C CB . GLN A 1 226 ? 59.898 19.925 -11.098 1.00 86.45 ? 226 GLN A CB 1 ATOM 1837 C CG . GLN A 1 226 ? 59.134 19.320 -12.260 1.00 88.92 ? 226 GLN A CG 1 ATOM 1838 C CD . GLN A 1 226 ? 60.028 18.494 -13.159 1.00 90.58 ? 226 GLN A CD 1 ATOM 1839 O OE1 . GLN A 1 226 ? 61.003 19.001 -13.717 1.00 91.16 ? 226 GLN A OE1 1 ATOM 1840 N NE2 . GLN A 1 226 ? 59.705 17.211 -13.302 1.00 91.10 ? 226 GLN A NE2 1 ATOM 1841 N N . ASP A 1 227 ? 58.130 18.867 -8.786 1.00 82.18 ? 227 ASP A N 1 ATOM 1842 C CA . ASP A 1 227 ? 57.089 17.966 -8.298 1.00 81.50 ? 227 ASP A CA 1 ATOM 1843 C C . ASP A 1 227 ? 56.672 18.314 -6.871 1.00 79.81 ? 227 ASP A C 1 ATOM 1844 O O . ASP A 1 227 ? 56.232 17.452 -6.106 1.00 80.22 ? 227 ASP A O 1 ATOM 1845 C CB . ASP A 1 227 ? 57.596 16.526 -8.349 1.00 83.55 ? 227 ASP A CB 1 ATOM 1846 C CG . ASP A 1 227 ? 58.541 16.286 -9.511 1.00 85.45 ? 227 ASP A CG 1 ATOM 1847 O OD1 . ASP A 1 227 ? 59.664 16.837 -9.481 1.00 85.82 ? 227 ASP A OD1 1 ATOM 1848 O OD2 . ASP A 1 227 ? 58.160 15.557 -10.453 1.00 86.16 ? 227 ASP A OD2 1 ATOM 1849 N N . MET A 1 228 ? 56.800 19.589 -6.527 1.00 77.03 ? 228 MET A N 1 ATOM 1850 C CA . MET A 1 228 ? 56.466 20.070 -5.196 1.00 73.80 ? 228 MET A CA 1 ATOM 1851 C C . MET A 1 228 ? 55.136 20.822 -5.160 1.00 70.89 ? 228 MET A C 1 ATOM 1852 O O . MET A 1 228 ? 54.855 21.647 -6.027 1.00 70.40 ? 228 MET A O 1 ATOM 1853 C CB . MET A 1 228 ? 57.593 20.976 -4.702 1.00 74.59 ? 228 MET A CB 1 ATOM 1854 C CG . MET A 1 228 ? 57.371 21.570 -3.333 1.00 76.61 ? 228 MET A CG 1 ATOM 1855 S SD . MET A 1 228 ? 58.763 22.601 -2.839 1.00 78.93 ? 228 MET A SD 1 ATOM 1856 C CE . MET A 1 228 ? 58.340 24.142 -3.651 1.00 79.36 ? 228 MET A CE 1 ATOM 1857 N N . GLU A 1 229 ? 54.325 20.526 -4.147 1.00 67.62 ? 229 GLU A N 1 ATOM 1858 C CA . GLU A 1 229 ? 53.022 21.165 -3.965 1.00 63.84 ? 229 GLU A CA 1 ATOM 1859 C C . GLU A 1 229 ? 53.148 22.177 -2.829 1.00 60.45 ? 229 GLU A C 1 ATOM 1860 O O . GLU A 1 229 ? 53.909 21.959 -1.887 1.00 59.66 ? 229 GLU A O 1 ATOM 1861 C CB . GLU A 1 229 ? 51.976 20.108 -3.615 1.00 64.96 ? 229 GLU A CB 1 ATOM 1862 C CG . GLU A 1 229 ? 50.535 20.579 -3.684 1.00 67.06 ? 229 GLU A CG 1 ATOM 1863 C CD . GLU A 1 229 ? 49.551 19.432 -3.500 1.00 68.78 ? 229 GLU A CD 1 ATOM 1864 O OE1 . GLU A 1 229 ? 49.634 18.450 -4.272 1.00 69.33 ? 229 GLU A OE1 1 ATOM 1865 O OE2 . GLU A 1 229 ? 48.700 19.505 -2.588 1.00 68.81 ? 229 GLU A OE2 1 ATOM 1866 N N . LEU A 1 230 ? 52.412 23.280 -2.912 1.00 56.75 ? 230 LEU A N 1 ATOM 1867 C CA . LEU A 1 230 ? 52.499 24.306 -1.873 1.00 53.54 ? 230 LEU A CA 1 ATOM 1868 C C . LEU A 1 230 ? 51.341 25.292 -1.879 1.00 50.91 ? 230 LEU A C 1 ATOM 1869 O O . LEU A 1 230 ? 50.485 25.258 -2.761 1.00 52.37 ? 230 LEU A O 1 ATOM 1870 C CB . LEU A 1 230 ? 53.810 25.079 -2.021 1.00 52.14 ? 230 LEU A CB 1 ATOM 1871 C CG . LEU A 1 230 ? 53.941 26.077 -3.174 1.00 51.08 ? 230 LEU A CG 1 ATOM 1872 C CD1 . LEU A 1 230 ? 55.404 26.462 -3.310 1.00 49.76 ? 230 LEU A CD1 1 ATOM 1873 C CD2 . LEU A 1 230 ? 53.443 25.477 -4.474 1.00 50.87 ? 230 LEU A CD2 1 ATOM 1874 N N . VAL A 1 231 ? 51.312 26.166 -0.879 1.00 47.17 ? 231 VAL A N 1 ATOM 1875 C CA . VAL A 1 231 ? 50.266 27.176 -0.793 1.00 43.42 ? 231 VAL A CA 1 ATOM 1876 C C . VAL A 1 231 ? 50.895 28.543 -0.639 1.00 41.65 ? 231 VAL A C 1 ATOM 1877 O O . VAL A 1 231 ? 51.950 28.690 -0.020 1.00 40.40 ? 231 VAL A O 1 ATOM 1878 C CB . VAL A 1 231 ? 49.310 26.949 0.408 1.00 43.16 ? 231 VAL A CB 1 ATOM 1879 C CG1 . VAL A 1 231 ? 48.608 25.615 0.269 1.00 43.68 ? 231 VAL A CG1 1 ATOM 1880 C CG2 . VAL A 1 231 ? 50.079 27.012 1.717 1.00 43.96 ? 231 VAL A CG2 1 ATOM 1881 N N . GLU A 1 232 ? 50.248 29.544 -1.224 1.00 40.09 ? 232 GLU A N 1 ATOM 1882 C CA . GLU A 1 232 ? 50.732 30.907 -1.131 1.00 37.11 ? 232 GLU A CA 1 ATOM 1883 C C . GLU A 1 232 ? 50.854 31.236 0.347 1.00 34.27 ? 232 GLU A C 1 ATOM 1884 O O . GLU A 1 232 ? 49.977 30.886 1.138 1.00 33.83 ? 232 GLU A O 1 ATOM 1885 C CB . GLU A 1 232 ? 49.742 31.865 -1.797 1.00 38.30 ? 232 GLU A CB 1 ATOM 1886 C CG . GLU A 1 232 ? 49.670 31.732 -3.313 1.00 42.96 ? 232 GLU A CG 1 ATOM 1887 C CD . GLU A 1 232 ? 48.693 32.714 -3.959 1.00 45.48 ? 232 GLU A CD 1 ATOM 1888 O OE1 . GLU A 1 232 ? 47.463 32.526 -3.812 1.00 46.10 ? 232 GLU A OE1 1 ATOM 1889 O OE2 . GLU A 1 232 ? 49.163 33.678 -4.610 1.00 46.14 ? 232 GLU A OE2 1 ATOM 1890 N N . THR A 1 233 ? 51.948 31.882 0.729 1.00 31.08 ? 233 THR A N 1 ATOM 1891 C CA . THR A 1 233 ? 52.127 32.263 2.123 1.00 28.68 ? 233 THR A CA 1 ATOM 1892 C C . THR A 1 233 ? 50.844 32.944 2.597 1.00 25.69 ? 233 THR A C 1 ATOM 1893 O O . THR A 1 233 ? 50.226 33.705 1.857 1.00 23.68 ? 233 THR A O 1 ATOM 1894 C CB . THR A 1 233 ? 53.339 33.197 2.283 1.00 28.59 ? 233 THR A CB 1 ATOM 1895 O OG1 . THR A 1 233 ? 54.528 32.445 2.017 1.00 27.71 ? 233 THR A OG1 1 ATOM 1896 C CG2 . THR A 1 233 ? 53.414 33.768 3.699 1.00 29.29 ? 233 THR A CG2 1 ATOM 1897 N N . ARG A 1 234 ? 50.445 32.653 3.828 1.00 23.74 ? 234 ARG A N 1 ATOM 1898 C CA . ARG A 1 234 ? 49.209 33.196 4.365 1.00 24.09 ? 234 ARG A CA 1 ATOM 1899 C C . ARG A 1 234 ? 49.307 33.688 5.807 1.00 24.48 ? 234 ARG A C 1 ATOM 1900 O O . ARG A 1 234 ? 50.167 33.237 6.575 1.00 23.43 ? 234 ARG A O 1 ATOM 1901 C CB . ARG A 1 234 ? 48.124 32.124 4.263 1.00 23.51 ? 234 ARG A CB 1 ATOM 1902 C CG . ARG A 1 234 ? 48.471 30.851 5.011 1.00 23.19 ? 234 ARG A CG 1 ATOM 1903 C CD . ARG A 1 234 ? 47.647 29.668 4.528 1.00 22.80 ? 234 ARG A CD 1 ATOM 1904 N NE . ARG A 1 234 ? 47.894 28.482 5.339 1.00 20.98 ? 234 ARG A NE 1 ATOM 1905 C CZ . ARG A 1 234 ? 47.460 27.265 5.023 1.00 24.31 ? 234 ARG A CZ 1 ATOM 1906 N NH1 . ARG A 1 234 ? 46.762 27.081 3.909 1.00 20.65 ? 234 ARG A NH1 1 ATOM 1907 N NH2 . ARG A 1 234 ? 47.707 26.232 5.827 1.00 23.83 ? 234 ARG A NH2 1 ATOM 1908 N N . PRO A 1 235 ? 48.424 34.640 6.182 1.00 24.08 ? 235 PRO A N 1 ATOM 1909 C CA . PRO A 1 235 ? 48.329 35.255 7.517 1.00 23.12 ? 235 PRO A CA 1 ATOM 1910 C C . PRO A 1 235 ? 47.712 34.275 8.504 1.00 22.98 ? 235 PRO A C 1 ATOM 1911 O O . PRO A 1 235 ? 46.784 33.541 8.156 1.00 22.18 ? 235 PRO A O 1 ATOM 1912 C CB . PRO A 1 235 ? 47.441 36.473 7.276 1.00 22.69 ? 235 PRO A CB 1 ATOM 1913 C CG . PRO A 1 235 ? 46.539 36.002 6.178 1.00 24.28 ? 235 PRO A CG 1 ATOM 1914 C CD . PRO A 1 235 ? 47.498 35.297 5.240 1.00 22.72 ? 235 PRO A CD 1 ATOM 1915 N N . ALA A 1 236 ? 48.219 34.266 9.732 1.00 22.54 ? 236 ALA A N 1 ATOM 1916 C CA . ALA A 1 236 ? 47.721 33.328 10.732 1.00 23.88 ? 236 ALA A CA 1 ATOM 1917 C C . ALA A 1 236 ? 46.809 33.948 11.784 1.00 25.24 ? 236 ALA A C 1 ATOM 1918 O O . ALA A 1 236 ? 46.428 33.285 12.749 1.00 25.77 ? 236 ALA A O 1 ATOM 1919 C CB . ALA A 1 236 ? 48.887 32.624 11.400 1.00 21.76 ? 236 ALA A CB 1 ATOM 1920 N N . GLY A 1 237 ? 46.473 35.221 11.612 1.00 26.09 ? 237 GLY A N 1 ATOM 1921 C CA . GLY A 1 237 ? 45.575 35.864 12.556 1.00 25.78 ? 237 GLY A CA 1 ATOM 1922 C C . GLY A 1 237 ? 46.172 36.680 13.687 1.00 25.67 ? 237 GLY A C 1 ATOM 1923 O O . GLY A 1 237 ? 45.426 37.276 14.460 1.00 27.92 ? 237 GLY A O 1 ATOM 1924 N N . ASP A 1 238 ? 47.496 36.718 13.797 1.00 22.84 ? 238 ASP A N 1 ATOM 1925 C CA . ASP A 1 238 ? 48.140 37.476 14.861 1.00 21.55 ? 238 ASP A CA 1 ATOM 1926 C C . ASP A 1 238 ? 49.291 38.313 14.310 1.00 21.47 ? 238 ASP A C 1 ATOM 1927 O O . ASP A 1 238 ? 50.231 38.639 15.033 1.00 22.59 ? 238 ASP A O 1 ATOM 1928 C CB . ASP A 1 238 ? 48.676 36.520 15.928 1.00 23.16 ? 238 ASP A CB 1 ATOM 1929 C CG . ASP A 1 238 ? 49.790 35.616 15.398 1.00 26.16 ? 238 ASP A CG 1 ATOM 1930 O OD1 . ASP A 1 238 ? 50.016 35.623 14.164 1.00 25.67 ? 238 ASP A OD1 1 ATOM 1931 O OD2 . ASP A 1 238 ? 50.433 34.901 16.207 1.00 24.09 ? 238 ASP A OD2 1 ATOM 1932 N N . GLY A 1 239 ? 49.225 38.646 13.028 1.00 19.40 ? 239 GLY A N 1 ATOM 1933 C CA . GLY A 1 239 ? 50.279 39.428 12.422 1.00 19.33 ? 239 GLY A CA 1 ATOM 1934 C C . GLY A 1 239 ? 51.461 38.606 11.933 1.00 20.38 ? 239 GLY A C 1 ATOM 1935 O O . GLY A 1 239 ? 52.466 39.174 11.506 1.00 20.79 ? 239 GLY A O 1 ATOM 1936 N N . THR A 1 240 ? 51.379 37.279 12.018 1.00 20.19 ? 240 THR A N 1 ATOM 1937 C CA . THR A 1 240 ? 52.470 36.443 11.521 1.00 18.91 ? 240 THR A CA 1 ATOM 1938 C C . THR A 1 240 ? 51.951 35.608 10.376 1.00 18.25 ? 240 THR A C 1 ATOM 1939 O O . THR A 1 240 ? 50.749 35.591 10.111 1.00 19.52 ? 240 THR A O 1 ATOM 1940 C CB . THR A 1 240 ? 53.056 35.507 12.595 1.00 20.24 ? 240 THR A CB 1 ATOM 1941 O OG1 . THR A 1 240 ? 52.049 34.605 13.058 1.00 21.46 ? 240 THR A OG1 1 ATOM 1942 C CG2 . THR A 1 240 ? 53.603 36.315 13.759 1.00 20.54 ? 240 THR A CG2 1 ATOM 1943 N N . PHE A 1 241 ? 52.851 34.911 9.693 1.00 17.96 ? 241 PHE A N 1 ATOM 1944 C CA . PHE A 1 241 ? 52.445 34.115 8.546 1.00 17.30 ? 241 PHE A CA 1 ATOM 1945 C C . PHE A 1 241 ? 52.867 32.662 8.615 1.00 16.73 ? 241 PHE A C 1 ATOM 1946 O O . PHE A 1 241 ? 53.629 32.270 9.492 1.00 18.03 ? 241 PHE A O 1 ATOM 1947 C CB . PHE A 1 241 ? 52.996 34.748 7.269 1.00 16.78 ? 241 PHE A CB 1 ATOM 1948 C CG . PHE A 1 241 ? 52.559 36.173 7.073 1.00 18.80 ? 241 PHE A CG 1 ATOM 1949 C CD1 . PHE A 1 241 ? 53.178 37.211 7.777 1.00 17.82 ? 241 PHE A CD1 1 ATOM 1950 C CD2 . PHE A 1 241 ? 51.512 36.483 6.198 1.00 18.24 ? 241 PHE A CD2 1 ATOM 1951 C CE1 . PHE A 1 241 ? 52.753 38.532 7.624 1.00 16.36 ? 241 PHE A CE1 1 ATOM 1952 C CE2 . PHE A 1 241 ? 51.079 37.801 6.036 1.00 16.27 ? 241 PHE A CE2 1 ATOM 1953 C CZ . PHE A 1 241 ? 51.704 38.830 6.747 1.00 16.13 ? 241 PHE A CZ 1 ATOM 1954 N N . GLN A 1 242 ? 52.344 31.861 7.694 1.00 16.20 ? 242 GLN A N 1 ATOM 1955 C CA . GLN A 1 242 ? 52.696 30.451 7.633 1.00 17.38 ? 242 GLN A CA 1 ATOM 1956 C C . GLN A 1 242 ? 52.660 29.971 6.191 1.00 19.05 ? 242 GLN A C 1 ATOM 1957 O O . GLN A 1 242 ? 52.037 30.586 5.320 1.00 18.60 ? 242 GLN A O 1 ATOM 1958 C CB . GLN A 1 242 ? 51.751 29.599 8.483 1.00 16.42 ? 242 GLN A CB 1 ATOM 1959 C CG . GLN A 1 242 ? 50.377 29.416 7.890 1.00 19.27 ? 242 GLN A CG 1 ATOM 1960 C CD . GLN A 1 242 ? 49.560 28.339 8.600 1.00 20.50 ? 242 GLN A CD 1 ATOM 1961 O OE1 . GLN A 1 242 ? 48.908 27.516 7.948 1.00 20.14 ? 242 GLN A OE1 1 ATOM 1962 N NE2 . GLN A 1 242 ? 49.579 28.350 9.934 1.00 15.71 ? 242 GLN A NE2 1 ATOM 1963 N N . LYS A 1 243 ? 53.331 28.856 5.940 1.00 19.99 ? 243 LYS A N 1 ATOM 1964 C CA . LYS A 1 243 ? 53.387 28.317 4.596 1.00 20.36 ? 243 LYS A CA 1 ATOM 1965 C C . LYS A 1 243 ? 53.776 26.857 4.676 1.00 21.50 ? 243 LYS A C 1 ATOM 1966 O O . LYS A 1 243 ? 54.407 26.425 5.640 1.00 21.69 ? 243 LYS A O 1 ATOM 1967 C CB . LYS A 1 243 ? 54.441 29.087 3.799 1.00 19.85 ? 243 LYS A CB 1 ATOM 1968 C CG . LYS A 1 243 ? 54.558 28.721 2.338 1.00 21.18 ? 243 LYS A CG 1 ATOM 1969 C CD . LYS A 1 243 ? 55.635 29.565 1.676 1.00 22.74 ? 243 LYS A CD 1 ATOM 1970 C CE . LYS A 1 243 ? 55.545 29.507 0.166 1.00 23.76 ? 243 LYS A CE 1 ATOM 1971 N NZ . LYS A 1 243 ? 54.238 30.034 -0.295 1.00 25.35 ? 243 LYS A NZ 1 ATOM 1972 N N . TRP A 1 244 ? 53.389 26.086 3.674 1.00 21.92 ? 244 TRP A N 1 ATOM 1973 C CA . TRP A 1 244 ? 53.777 24.693 3.655 1.00 24.12 ? 244 TRP A CA 1 ATOM 1974 C C . TRP A 1 244 ? 54.068 24.265 2.229 1.00 26.64 ? 244 TRP A C 1 ATOM 1975 O O . TRP A 1 244 ? 53.553 24.859 1.272 1.00 27.37 ? 244 TRP A O 1 ATOM 1976 C CB . TRP A 1 244 ? 52.711 23.794 4.301 1.00 23.11 ? 244 TRP A CB 1 ATOM 1977 C CG . TRP A 1 244 ? 51.364 23.719 3.617 1.00 24.65 ? 244 TRP A CG 1 ATOM 1978 C CD1 . TRP A 1 244 ? 50.192 24.281 4.053 1.00 24.87 ? 244 TRP A CD1 1 ATOM 1979 C CD2 . TRP A 1 244 ? 51.025 22.945 2.455 1.00 23.94 ? 244 TRP A CD2 1 ATOM 1980 N NE1 . TRP A 1 244 ? 49.148 23.895 3.245 1.00 25.46 ? 244 TRP A NE1 1 ATOM 1981 C CE2 . TRP A 1 244 ? 49.627 23.073 2.257 1.00 24.60 ? 244 TRP A CE2 1 ATOM 1982 C CE3 . TRP A 1 244 ? 51.764 22.150 1.565 1.00 21.49 ? 244 TRP A CE3 1 ATOM 1983 C CZ2 . TRP A 1 244 ? 48.949 22.432 1.207 1.00 23.00 ? 244 TRP A CZ2 1 ATOM 1984 C CZ3 . TRP A 1 244 ? 51.090 21.515 0.519 1.00 23.91 ? 244 TRP A CZ3 1 ATOM 1985 C CH2 . TRP A 1 244 ? 49.693 21.661 0.351 1.00 22.96 ? 244 TRP A CH2 1 ATOM 1986 N N . ALA A 1 245 ? 54.926 23.256 2.104 1.00 27.20 ? 245 ALA A N 1 ATOM 1987 C CA . ALA A 1 245 ? 55.333 22.701 0.819 1.00 26.37 ? 245 ALA A CA 1 ATOM 1988 C C . ALA A 1 245 ? 55.388 21.183 0.983 1.00 28.03 ? 245 ALA A C 1 ATOM 1989 O O . ALA A 1 245 ? 55.922 20.676 1.977 1.00 26.24 ? 245 ALA A O 1 ATOM 1990 C CB . ALA A 1 245 ? 56.694 23.232 0.435 1.00 24.41 ? 245 ALA A CB 1 ATOM 1991 N N . SER A 1 246 ? 54.838 20.461 0.014 1.00 27.99 ? 246 SER A N 1 ATOM 1992 C CA . SER A 1 246 ? 54.820 19.006 0.084 1.00 30.51 ? 246 SER A CA 1 ATOM 1993 C C . SER A 1 246 ? 55.360 18.336 -1.171 1.00 32.73 ? 246 SER A C 1 ATOM 1994 O O . SER A 1 246 ? 55.353 18.909 -2.267 1.00 34.03 ? 246 SER A O 1 ATOM 1995 C CB . SER A 1 246 ? 53.395 18.503 0.338 1.00 28.60 ? 246 SER A CB 1 ATOM 1996 O OG . SER A 1 246 ? 52.575 18.692 -0.803 1.00 25.76 ? 246 SER A OG 1 ATOM 1997 N N . VAL A 1 247 ? 55.829 17.108 -0.996 1.00 33.20 ? 247 VAL A N 1 ATOM 1998 C CA . VAL A 1 247 ? 56.353 16.334 -2.105 1.00 33.73 ? 247 VAL A CA 1 ATOM 1999 C C . VAL A 1 247 ? 55.972 14.883 -1.859 1.00 34.26 ? 247 VAL A C 1 ATOM 2000 O O . VAL A 1 247 ? 55.870 14.446 -0.708 1.00 32.58 ? 247 VAL A O 1 ATOM 2001 C CB . VAL A 1 247 ? 57.893 16.472 -2.211 1.00 33.34 ? 247 VAL A CB 1 ATOM 2002 C CG1 . VAL A 1 247 ? 58.574 15.825 -1.008 1.00 31.90 ? 247 VAL A CG1 1 ATOM 2003 C CG2 . VAL A 1 247 ? 58.372 15.856 -3.508 1.00 34.63 ? 247 VAL A CG2 1 ATOM 2004 N N . VAL A 1 248 ? 55.735 14.147 -2.939 1.00 35.58 ? 248 VAL A N 1 ATOM 2005 C CA . VAL A 1 248 ? 55.366 12.739 -2.834 1.00 36.61 ? 248 VAL A CA 1 ATOM 2006 C C . VAL A 1 248 ? 56.607 11.876 -3.031 1.00 38.02 ? 248 VAL A C 1 ATOM 2007 O O . VAL A 1 248 ? 57.262 11.953 -4.070 1.00 39.18 ? 248 VAL A O 1 ATOM 2008 C CB . VAL A 1 248 ? 54.306 12.373 -3.889 1.00 36.71 ? 248 VAL A CB 1 ATOM 2009 C CG1 . VAL A 1 248 ? 53.991 10.875 -3.827 1.00 35.26 ? 248 VAL A CG1 1 ATOM 2010 C CG2 . VAL A 1 248 ? 53.048 13.207 -3.658 1.00 35.45 ? 248 VAL A CG2 1 ATOM 2011 N N . VAL A 1 249 ? 56.932 11.059 -2.033 1.00 38.57 ? 249 VAL A N 1 ATOM 2012 C CA . VAL A 1 249 ? 58.114 10.209 -2.115 1.00 40.41 ? 249 VAL A CA 1 ATOM 2013 C C . VAL A 1 249 ? 57.819 8.718 -1.930 1.00 42.65 ? 249 VAL A C 1 ATOM 2014 O O . VAL A 1 249 ? 56.763 8.336 -1.426 1.00 42.25 ? 249 VAL A O 1 ATOM 2015 C CB . VAL A 1 249 ? 59.170 10.635 -1.066 1.00 39.78 ? 249 VAL A CB 1 ATOM 2016 C CG1 . VAL A 1 249 ? 59.331 12.143 -1.085 1.00 39.34 ? 249 VAL A CG1 1 ATOM 2017 C CG2 . VAL A 1 249 ? 58.772 10.149 0.317 1.00 38.36 ? 249 VAL A CG2 1 ATOM 2018 N N . PRO A 1 250 ? 58.754 7.853 -2.360 1.00 44.72 ? 250 PRO A N 1 ATOM 2019 C CA . PRO A 1 250 ? 58.596 6.403 -2.236 1.00 45.23 ? 250 PRO A CA 1 ATOM 2020 C C . PRO A 1 250 ? 58.658 5.997 -0.770 1.00 46.43 ? 250 PRO A C 1 ATOM 2021 O O . PRO A 1 250 ? 59.505 6.484 -0.020 1.00 44.93 ? 250 PRO A O 1 ATOM 2022 C CB . PRO A 1 250 ? 59.787 5.857 -3.020 1.00 46.20 ? 250 PRO A CB 1 ATOM 2023 C CG . PRO A 1 250 ? 60.051 6.925 -4.036 1.00 46.58 ? 250 PRO A CG 1 ATOM 2024 C CD . PRO A 1 250 ? 59.913 8.175 -3.212 1.00 46.01 ? 250 PRO A CD 1 ATOM 2025 N N . LEU A 1 251 ? 57.758 5.109 -0.365 1.00 48.48 ? 251 LEU A N 1 ATOM 2026 C CA . LEU A 1 251 ? 57.729 4.637 1.013 1.00 51.31 ? 251 LEU A CA 1 ATOM 2027 C C . LEU A 1 251 ? 59.091 4.036 1.371 1.00 53.28 ? 251 LEU A C 1 ATOM 2028 O O . LEU A 1 251 ? 59.756 3.429 0.526 1.00 52.45 ? 251 LEU A O 1 ATOM 2029 C CB . LEU A 1 251 ? 56.622 3.593 1.177 1.00 51.29 ? 251 LEU A CB 1 ATOM 2030 C CG . LEU A 1 251 ? 56.399 2.982 2.560 1.00 51.25 ? 251 LEU A CG 1 ATOM 2031 C CD1 . LEU A 1 251 ? 56.204 4.072 3.607 1.00 50.56 ? 251 LEU A CD1 1 ATOM 2032 C CD2 . LEU A 1 251 ? 55.183 2.072 2.490 1.00 51.02 ? 251 LEU A CD2 1 ATOM 2033 N N . GLY A 1 252 ? 59.511 4.218 2.619 1.00 54.90 ? 252 GLY A N 1 ATOM 2034 C CA . GLY A 1 252 ? 60.799 3.694 3.042 1.00 57.22 ? 252 GLY A CA 1 ATOM 2035 C C . GLY A 1 252 ? 61.984 4.542 2.598 1.00 58.54 ? 252 GLY A C 1 ATOM 2036 O O . GLY A 1 252 ? 63.095 4.373 3.102 1.00 58.67 ? 252 GLY A O 1 ATOM 2037 N N . LYS A 1 253 ? 61.756 5.454 1.657 1.00 59.35 ? 253 LYS A N 1 ATOM 2038 C CA . LYS A 1 253 ? 62.815 6.326 1.156 1.00 60.69 ? 253 LYS A CA 1 ATOM 2039 C C . LYS A 1 253 ? 62.642 7.771 1.665 1.00 60.53 ? 253 LYS A C 1 ATOM 2040 O O . LYS A 1 253 ? 63.178 8.715 1.079 1.00 59.50 ? 253 LYS A O 1 ATOM 2041 C CB . LYS A 1 253 ? 62.814 6.289 -0.380 1.00 61.86 ? 253 LYS A CB 1 ATOM 2042 C CG . LYS A 1 253 ? 63.948 7.060 -1.055 1.00 65.28 ? 253 LYS A CG 1 ATOM 2043 C CD . LYS A 1 253 ? 64.019 6.779 -2.566 1.00 67.03 ? 253 LYS A CD 1 ATOM 2044 C CE . LYS A 1 253 ? 65.020 7.694 -3.290 1.00 66.33 ? 253 LYS A CE 1 ATOM 2045 N NZ . LYS A 1 253 ? 66.412 7.612 -2.748 1.00 64.86 ? 253 LYS A NZ 1 ATOM 2046 N N . GLU A 1 254 ? 61.903 7.933 2.765 1.00 60.33 ? 254 GLU A N 1 ATOM 2047 C CA . GLU A 1 254 ? 61.645 9.256 3.340 1.00 59.70 ? 254 GLU A CA 1 ATOM 2048 C C . GLU A 1 254 ? 62.897 9.957 3.840 1.00 59.11 ? 254 GLU A C 1 ATOM 2049 O O . GLU A 1 254 ? 63.111 11.136 3.568 1.00 59.15 ? 254 GLU A O 1 ATOM 2050 C CB . GLU A 1 254 ? 60.646 9.166 4.498 1.00 58.81 ? 254 GLU A CB 1 ATOM 2051 C CG . GLU A 1 254 ? 59.251 8.747 4.092 1.00 61.19 ? 254 GLU A CG 1 ATOM 2052 C CD . GLU A 1 254 ? 58.966 7.297 4.424 1.00 62.51 ? 254 GLU A CD 1 ATOM 2053 O OE1 . GLU A 1 254 ? 59.799 6.439 4.064 1.00 62.51 ? 254 GLU A OE1 1 ATOM 2054 O OE2 . GLU A 1 254 ? 57.911 7.018 5.039 1.00 61.65 ? 254 GLU A OE2 1 ATOM 2055 N N . GLN A 1 255 ? 63.717 9.225 4.582 1.00 58.66 ? 255 GLN A N 1 ATOM 2056 C CA . GLN A 1 255 ? 64.945 9.765 5.146 1.00 58.68 ? 255 GLN A CA 1 ATOM 2057 C C . GLN A 1 255 ? 65.873 10.471 4.151 1.00 56.80 ? 255 GLN A C 1 ATOM 2058 O O . GLN A 1 255 ? 66.760 11.211 4.565 1.00 57.40 ? 255 GLN A O 1 ATOM 2059 C CB . GLN A 1 255 ? 65.718 8.646 5.847 1.00 61.11 ? 255 GLN A CB 1 ATOM 2060 C CG . GLN A 1 255 ? 65.931 7.419 4.965 1.00 65.49 ? 255 GLN A CG 1 ATOM 2061 C CD . GLN A 1 255 ? 66.912 6.425 5.556 1.00 67.29 ? 255 GLN A CD 1 ATOM 2062 O OE1 . GLN A 1 255 ? 66.735 5.957 6.679 1.00 70.15 ? 255 GLN A OE1 1 ATOM 2063 N NE2 . GLN A 1 255 ? 67.953 6.096 4.796 1.00 67.98 ? 255 GLN A NE2 1 ATOM 2064 N N . TYR A 1 256 ? 65.680 10.253 2.853 1.00 54.90 ? 256 TYR A N 1 ATOM 2065 C CA . TYR A 1 256 ? 66.545 10.886 1.855 1.00 53.77 ? 256 TYR A CA 1 ATOM 2066 C C . TYR A 1 256 ? 66.049 12.247 1.384 1.00 51.03 ? 256 TYR A C 1 ATOM 2067 O O . TYR A 1 256 ? 66.620 12.835 0.464 1.00 51.13 ? 256 TYR A O 1 ATOM 2068 C CB . TYR A 1 256 ? 66.728 9.980 0.627 1.00 57.35 ? 256 TYR A CB 1 ATOM 2069 C CG . TYR A 1 256 ? 67.354 8.632 0.922 1.00 62.07 ? 256 TYR A CG 1 ATOM 2070 C CD1 . TYR A 1 256 ? 68.506 8.527 1.705 1.00 64.22 ? 256 TYR A CD1 1 ATOM 2071 C CD2 . TYR A 1 256 ? 66.792 7.459 0.421 1.00 63.59 ? 256 TYR A CD2 1 ATOM 2072 C CE1 . TYR A 1 256 ? 69.075 7.286 1.986 1.00 65.79 ? 256 TYR A CE1 1 ATOM 2073 C CE2 . TYR A 1 256 ? 67.351 6.216 0.692 1.00 65.52 ? 256 TYR A CE2 1 ATOM 2074 C CZ . TYR A 1 256 ? 68.490 6.135 1.476 1.00 66.75 ? 256 TYR A CZ 1 ATOM 2075 O OH . TYR A 1 256 ? 69.027 4.902 1.771 1.00 68.82 ? 256 TYR A OH 1 ATOM 2076 N N . TYR A 1 257 ? 64.985 12.745 2.002 1.00 47.33 ? 257 TYR A N 1 ATOM 2077 C CA . TYR A 1 257 ? 64.438 14.038 1.622 1.00 43.16 ? 257 TYR A CA 1 ATOM 2078 C C . TYR A 1 257 ? 64.501 15.004 2.798 1.00 41.64 ? 257 TYR A C 1 ATOM 2079 O O . TYR A 1 257 ? 64.105 14.665 3.913 1.00 41.74 ? 257 TYR A O 1 ATOM 2080 C CB . TYR A 1 257 ? 62.993 13.887 1.150 1.00 41.00 ? 257 TYR A CB 1 ATOM 2081 C CG . TYR A 1 257 ? 62.828 13.097 -0.130 1.00 40.61 ? 257 TYR A CG 1 ATOM 2082 C CD1 . TYR A 1 257 ? 63.027 11.715 -0.161 1.00 41.14 ? 257 TYR A CD1 1 ATOM 2083 C CD2 . TYR A 1 257 ? 62.454 13.730 -1.314 1.00 40.72 ? 257 TYR A CD2 1 ATOM 2084 C CE1 . TYR A 1 257 ? 62.849 10.983 -1.344 1.00 38.89 ? 257 TYR A CE1 1 ATOM 2085 C CE2 . TYR A 1 257 ? 62.273 13.011 -2.496 1.00 38.81 ? 257 TYR A CE2 1 ATOM 2086 C CZ . TYR A 1 257 ? 62.471 11.644 -2.504 1.00 38.99 ? 257 TYR A CZ 1 ATOM 2087 O OH . TYR A 1 257 ? 62.271 10.946 -3.673 1.00 39.20 ? 257 TYR A OH 1 ATOM 2088 N N . THR A 1 258 ? 65.018 16.202 2.552 1.00 38.63 ? 258 THR A N 1 ATOM 2089 C CA . THR A 1 258 ? 65.115 17.207 3.600 1.00 37.60 ? 258 THR A CA 1 ATOM 2090 C C . THR A 1 258 ? 64.420 18.492 3.188 1.00 36.65 ? 258 THR A C 1 ATOM 2091 O O . THR A 1 258 ? 64.382 18.850 2.007 1.00 35.10 ? 258 THR A O 1 ATOM 2092 C CB . THR A 1 258 ? 66.576 17.560 3.934 1.00 37.11 ? 258 THR A CB 1 ATOM 2093 O OG1 . THR A 1 258 ? 67.267 17.909 2.730 1.00 38.70 ? 258 THR A OG1 1 ATOM 2094 C CG2 . THR A 1 258 ? 67.268 16.401 4.600 1.00 36.78 ? 258 THR A CG2 1 ATOM 2095 N N . CYS A 1 259 ? 63.864 19.176 4.178 1.00 35.76 ? 259 CYS A N 1 ATOM 2096 C CA . CYS A 1 259 ? 63.186 20.436 3.949 1.00 34.34 ? 259 CYS A CA 1 ATOM 2097 C C . CYS A 1 259 ? 64.140 21.570 4.305 1.00 32.69 ? 259 CYS A C 1 ATOM 2098 O O . CYS A 1 259 ? 64.872 21.498 5.296 1.00 32.11 ? 259 CYS A O 1 ATOM 2099 C CB . CYS A 1 259 ? 61.933 20.541 4.811 1.00 34.67 ? 259 CYS A CB 1 ATOM 2100 S SG . CYS A 1 259 ? 61.079 22.126 4.557 1.00 40.17 ? 259 CYS A SG 1 ATOM 2101 N N . HIS A 1 260 ? 64.126 22.615 3.491 1.00 31.10 ? 260 HIS A N 1 ATOM 2102 C CA . HIS A 1 260 ? 64.986 23.763 3.714 1.00 30.51 ? 260 HIS A CA 1 ATOM 2103 C C . HIS A 1 260 ? 64.149 25.013 3.798 1.00 27.61 ? 260 HIS A C 1 ATOM 2104 O O . HIS A 1 260 ? 63.389 25.325 2.890 1.00 27.14 ? 260 HIS A O 1 ATOM 2105 C CB . HIS A 1 260 ? 65.998 23.881 2.582 1.00 34.53 ? 260 HIS A CB 1 ATOM 2106 C CG . HIS A 1 260 ? 66.930 22.716 2.498 1.00 38.44 ? 260 HIS A CG 1 ATOM 2107 N ND1 . HIS A 1 260 ? 68.033 22.587 3.318 1.00 40.74 ? 260 HIS A ND1 1 ATOM 2108 C CD2 . HIS A 1 260 ? 66.891 21.597 1.742 1.00 38.87 ? 260 HIS A CD2 1 ATOM 2109 C CE1 . HIS A 1 260 ? 68.630 21.437 3.068 1.00 40.29 ? 260 HIS A CE1 1 ATOM 2110 N NE2 . HIS A 1 260 ? 67.957 20.815 2.116 1.00 40.51 ? 260 HIS A NE2 1 ATOM 2111 N N . VAL A 1 261 ? 64.305 25.724 4.905 1.00 27.15 ? 261 VAL A N 1 ATOM 2112 C CA . VAL A 1 261 ? 63.564 26.950 5.164 1.00 26.35 ? 261 VAL A CA 1 ATOM 2113 C C . VAL A 1 261 ? 64.511 28.143 5.230 1.00 25.16 ? 261 VAL A C 1 ATOM 2114 O O . VAL A 1 261 ? 65.381 28.197 6.086 1.00 24.12 ? 261 VAL A O 1 ATOM 2115 C CB . VAL A 1 261 ? 62.806 26.854 6.515 1.00 25.34 ? 261 VAL A CB 1 ATOM 2116 C CG1 . VAL A 1 261 ? 61.841 28.027 6.662 1.00 24.36 ? 261 VAL A CG1 1 ATOM 2117 C CG2 . VAL A 1 261 ? 62.074 25.518 6.608 1.00 23.27 ? 261 VAL A CG2 1 ATOM 2118 N N . TYR A 1 262 ? 64.346 29.092 4.319 1.00 26.71 ? 262 TYR A N 1 ATOM 2119 C CA . TYR A 1 262 ? 65.184 30.287 4.323 1.00 28.48 ? 262 TYR A CA 1 ATOM 2120 C C . TYR A 1 262 ? 64.309 31.469 4.702 1.00 28.47 ? 262 TYR A C 1 ATOM 2121 O O . TYR A 1 262 ? 63.226 31.659 4.140 1.00 28.86 ? 262 TYR A O 1 ATOM 2122 C CB . TYR A 1 262 ? 65.797 30.540 2.947 1.00 30.05 ? 262 TYR A CB 1 ATOM 2123 C CG . TYR A 1 262 ? 66.519 29.354 2.358 1.00 30.96 ? 262 TYR A CG 1 ATOM 2124 C CD1 . TYR A 1 262 ? 65.824 28.365 1.668 1.00 30.46 ? 262 TYR A CD1 1 ATOM 2125 C CD2 . TYR A 1 262 ? 67.902 29.222 2.488 1.00 31.68 ? 262 TYR A CD2 1 ATOM 2126 C CE1 . TYR A 1 262 ? 66.483 27.277 1.125 1.00 30.10 ? 262 TYR A CE1 1 ATOM 2127 C CE2 . TYR A 1 262 ? 68.573 28.132 1.948 1.00 30.55 ? 262 TYR A CE2 1 ATOM 2128 C CZ . TYR A 1 262 ? 67.857 27.165 1.265 1.00 30.32 ? 262 TYR A CZ 1 ATOM 2129 O OH . TYR A 1 262 ? 68.513 26.087 0.719 1.00 29.18 ? 262 TYR A OH 1 ATOM 2130 N N . HIS A 1 263 ? 64.784 32.269 5.648 1.00 27.24 ? 263 HIS A N 1 ATOM 2131 C CA . HIS A 1 263 ? 64.025 33.423 6.113 1.00 26.73 ? 263 HIS A CA 1 ATOM 2132 C C . HIS A 1 263 ? 64.951 34.412 6.813 1.00 27.17 ? 263 HIS A C 1 ATOM 2133 O O . HIS A 1 263 ? 65.910 34.015 7.482 1.00 25.47 ? 263 HIS A O 1 ATOM 2134 C CB . HIS A 1 263 ? 62.942 32.959 7.086 1.00 25.09 ? 263 HIS A CB 1 ATOM 2135 C CG . HIS A 1 263 ? 62.096 34.069 7.621 1.00 24.83 ? 263 HIS A CG 1 ATOM 2136 N ND1 . HIS A 1 263 ? 60.963 34.519 6.973 1.00 23.65 ? 263 HIS A ND1 1 ATOM 2137 C CD2 . HIS A 1 263 ? 62.224 34.831 8.730 1.00 23.87 ? 263 HIS A CD2 1 ATOM 2138 C CE1 . HIS A 1 263 ? 60.432 35.509 7.666 1.00 23.56 ? 263 HIS A CE1 1 ATOM 2139 N NE2 . HIS A 1 263 ? 61.177 35.720 8.737 1.00 24.30 ? 263 HIS A NE2 1 ATOM 2140 N N . GLN A 1 264 ? 64.656 35.700 6.692 1.00 28.58 ? 264 GLN A N 1 ATOM 2141 C CA . GLN A 1 264 ? 65.516 36.687 7.318 1.00 30.25 ? 264 GLN A CA 1 ATOM 2142 C C . GLN A 1 264 ? 65.443 36.668 8.831 1.00 30.64 ? 264 GLN A C 1 ATOM 2143 O O . GLN A 1 264 ? 65.827 37.625 9.486 1.00 33.22 ? 264 GLN A O 1 ATOM 2144 C CB . GLN A 1 264 ? 65.219 38.087 6.780 1.00 31.30 ? 264 GLN A CB 1 ATOM 2145 C CG . GLN A 1 264 ? 63.986 38.760 7.304 1.00 33.36 ? 264 GLN A CG 1 ATOM 2146 C CD . GLN A 1 264 ? 63.689 40.040 6.538 1.00 34.81 ? 264 GLN A CD 1 ATOM 2147 O OE1 . GLN A 1 264 ? 63.189 39.998 5.409 1.00 31.84 ? 264 GLN A OE1 1 ATOM 2148 N NE2 . GLN A 1 264 ? 64.013 41.186 7.142 1.00 36.62 ? 264 GLN A NE2 1 ATOM 2149 N N . GLY A 1 265 ? 64.946 35.567 9.383 1.00 30.85 ? 265 GLY A N 1 ATOM 2150 C CA . GLY A 1 265 ? 64.872 35.415 10.825 1.00 29.18 ? 265 GLY A CA 1 ATOM 2151 C C . GLY A 1 265 ? 65.717 34.206 11.179 1.00 29.58 ? 265 GLY A C 1 ATOM 2152 O O . GLY A 1 265 ? 65.924 33.880 12.344 1.00 28.21 ? 265 GLY A O 1 ATOM 2153 N N . LEU A 1 266 ? 66.200 33.534 10.137 1.00 30.80 ? 266 LEU A N 1 ATOM 2154 C CA . LEU A 1 266 ? 67.032 32.348 10.279 1.00 31.47 ? 266 LEU A CA 1 ATOM 2155 C C . LEU A 1 266 ? 68.457 32.670 9.850 1.00 32.10 ? 266 LEU A C 1 ATOM 2156 O O . LEU A 1 266 ? 68.782 32.627 8.661 1.00 31.54 ? 266 LEU A O 1 ATOM 2157 C CB . LEU A 1 266 ? 66.486 31.209 9.413 1.00 30.91 ? 266 LEU A CB 1 ATOM 2158 C CG . LEU A 1 266 ? 65.062 30.752 9.734 1.00 31.21 ? 266 LEU A CG 1 ATOM 2159 C CD1 . LEU A 1 266 ? 64.585 29.753 8.698 1.00 30.25 ? 266 LEU A CD1 1 ATOM 2160 C CD2 . LEU A 1 266 ? 65.031 30.146 11.129 1.00 29.55 ? 266 LEU A CD2 1 ATOM 2161 N N . PRO A 1 267 ? 69.325 33.008 10.816 1.00 32.99 ? 267 PRO A N 1 ATOM 2162 C CA . PRO A 1 267 ? 70.720 33.332 10.507 1.00 34.72 ? 267 PRO A CA 1 ATOM 2163 C C . PRO A 1 267 ? 71.319 32.210 9.669 1.00 35.24 ? 267 PRO A C 1 ATOM 2164 O O . PRO A 1 267 ? 72.297 32.395 8.950 1.00 35.72 ? 267 PRO A O 1 ATOM 2165 C CB . PRO A 1 267 ? 71.351 33.449 11.890 1.00 35.35 ? 267 PRO A CB 1 ATOM 2166 C CG . PRO A 1 267 ? 70.226 34.029 12.700 1.00 33.37 ? 267 PRO A CG 1 ATOM 2167 C CD . PRO A 1 267 ? 69.064 33.162 12.258 1.00 33.42 ? 267 PRO A CD 1 ATOM 2168 N N . GLU A 1 268 ? 70.703 31.041 9.778 1.00 35.90 ? 268 GLU A N 1 ATOM 2169 C CA . GLU A 1 268 ? 71.107 29.864 9.033 1.00 35.28 ? 268 GLU A CA 1 ATOM 2170 C C . GLU A 1 268 ? 69.822 29.121 8.723 1.00 33.53 ? 268 GLU A C 1 ATOM 2171 O O . GLU A 1 268 ? 69.031 28.837 9.616 1.00 33.53 ? 268 GLU A O 1 ATOM 2172 C CB . GLU A 1 268 ? 72.054 29.001 9.868 1.00 37.68 ? 268 GLU A CB 1 ATOM 2173 C CG . GLU A 1 268 ? 73.506 29.066 9.390 1.00 44.22 ? 268 GLU A CG 1 ATOM 2174 C CD . GLU A 1 268 ? 74.520 28.897 10.513 1.00 48.24 ? 268 GLU A CD 1 ATOM 2175 O OE1 . GLU A 1 268 ? 74.528 27.827 11.168 1.00 50.46 ? 268 GLU A OE1 1 ATOM 2176 O OE2 . GLU A 1 268 ? 75.312 29.841 10.738 1.00 50.55 ? 268 GLU A OE2 1 ATOM 2177 N N . PRO A 1 269 ? 69.578 28.823 7.443 1.00 32.85 ? 269 PRO A N 1 ATOM 2178 C CA . PRO A 1 269 ? 68.349 28.111 7.095 1.00 32.84 ? 269 PRO A CA 1 ATOM 2179 C C . PRO A 1 269 ? 68.168 26.791 7.824 1.00 33.99 ? 269 PRO A C 1 ATOM 2180 O O . PRO A 1 269 ? 69.134 26.104 8.153 1.00 34.02 ? 269 PRO A O 1 ATOM 2181 C CB . PRO A 1 269 ? 68.459 27.946 5.581 1.00 31.37 ? 269 PRO A CB 1 ATOM 2182 C CG . PRO A 1 269 ? 69.938 27.979 5.334 1.00 31.05 ? 269 PRO A CG 1 ATOM 2183 C CD . PRO A 1 269 ? 70.392 29.078 6.244 1.00 32.18 ? 269 PRO A CD 1 ATOM 2184 N N . LEU A 1 270 ? 66.912 26.457 8.089 1.00 35.82 ? 270 LEU A N 1 ATOM 2185 C CA . LEU A 1 270 ? 66.578 25.222 8.772 1.00 36.96 ? 270 LEU A CA 1 ATOM 2186 C C . LEU A 1 270 ? 66.661 24.074 7.781 1.00 39.18 ? 270 LEU A C 1 ATOM 2187 O O . LEU A 1 270 ? 66.555 24.279 6.571 1.00 38.56 ? 270 LEU A O 1 ATOM 2188 C CB . LEU A 1 270 ? 65.161 25.299 9.344 1.00 34.32 ? 270 LEU A CB 1 ATOM 2189 C CG . LEU A 1 270 ? 64.886 26.412 10.352 1.00 32.31 ? 270 LEU A CG 1 ATOM 2190 C CD1 . LEU A 1 270 ? 63.434 26.342 10.788 1.00 30.29 ? 270 LEU A CD1 1 ATOM 2191 C CD2 . LEU A 1 270 ? 65.810 26.273 11.547 1.00 31.21 ? 270 LEU A CD2 1 ATOM 2192 N N . THR A 1 271 ? 66.855 22.869 8.306 1.00 41.76 ? 271 THR A N 1 ATOM 2193 C CA . THR A 1 271 ? 66.938 21.671 7.483 1.00 44.88 ? 271 THR A CA 1 ATOM 2194 C C . THR A 1 271 ? 66.315 20.529 8.260 1.00 46.21 ? 271 THR A C 1 ATOM 2195 O O . THR A 1 271 ? 66.884 20.057 9.246 1.00 47.76 ? 271 THR A O 1 ATOM 2196 C CB . THR A 1 271 ? 68.398 21.308 7.157 1.00 46.18 ? 271 THR A CB 1 ATOM 2197 O OG1 . THR A 1 271 ? 68.996 22.363 6.391 1.00 47.55 ? 271 THR A OG1 1 ATOM 2198 C CG2 . THR A 1 271 ? 68.457 20.013 6.360 1.00 46.07 ? 271 THR A CG2 1 ATOM 2199 N N . LEU A 1 272 ? 65.144 20.082 7.825 1.00 46.75 ? 272 LEU A N 1 ATOM 2200 C CA . LEU A 1 272 ? 64.479 18.996 8.523 1.00 47.17 ? 272 LEU A CA 1 ATOM 2201 C C . LEU A 1 272 ? 64.180 17.844 7.593 1.00 48.30 ? 272 LEU A C 1 ATOM 2202 O O . LEU A 1 272 ? 64.161 17.992 6.374 1.00 47.23 ? 272 LEU A O 1 ATOM 2203 C CB . LEU A 1 272 ? 63.162 19.463 9.145 1.00 46.24 ? 272 LEU A CB 1 ATOM 2204 C CG . LEU A 1 272 ? 62.987 20.904 9.615 1.00 44.49 ? 272 LEU A CG 1 ATOM 2205 C CD1 . LEU A 1 272 ? 63.069 21.862 8.431 1.00 45.01 ? 272 LEU A CD1 1 ATOM 2206 C CD2 . LEU A 1 272 ? 61.631 21.028 10.284 1.00 44.13 ? 272 LEU A CD2 1 ATOM 2207 N N . ARG A 1 273 ? 63.949 16.691 8.200 1.00 51.42 ? 273 ARG A N 1 ATOM 2208 C CA . ARG A 1 273 ? 63.610 15.466 7.495 1.00 55.59 ? 273 ARG A CA 1 ATOM 2209 C C . ARG A 1 273 ? 62.493 14.892 8.350 1.00 56.76 ? 273 ARG A C 1 ATOM 2210 O O . ARG A 1 273 ? 62.128 15.492 9.362 1.00 57.20 ? 273 ARG A O 1 ATOM 2211 C CB . ARG A 1 273 ? 64.804 14.515 7.475 1.00 57.92 ? 273 ARG A CB 1 ATOM 2212 C CG . ARG A 1 273 ? 65.335 14.159 8.854 1.00 62.08 ? 273 ARG A CG 1 ATOM 2213 C CD . ARG A 1 273 ? 66.580 13.320 8.719 1.00 66.72 ? 273 ARG A CD 1 ATOM 2214 N NE . ARG A 1 273 ? 67.541 13.966 7.832 1.00 70.66 ? 273 ARG A NE 1 ATOM 2215 C CZ . ARG A 1 273 ? 68.596 13.356 7.305 1.00 73.01 ? 273 ARG A CZ 1 ATOM 2216 N NH1 . ARG A 1 273 ? 68.827 12.077 7.578 1.00 75.08 ? 273 ARG A NH1 1 ATOM 2217 N NH2 . ARG A 1 273 ? 69.415 14.020 6.497 1.00 73.45 ? 273 ARG A NH2 1 ATOM 2218 N N . TRP A 1 274 ? 61.940 13.747 7.969 1.00 58.36 ? 274 TRP A N 1 ATOM 2219 C CA . TRP A 1 274 ? 60.874 13.179 8.782 1.00 59.99 ? 274 TRP A CA 1 ATOM 2220 C C . TRP A 1 274 ? 61.428 12.272 9.891 1.00 60.11 ? 274 TRP A C 1 ATOM 2221 O O . TRP A 1 274 ? 62.499 11.657 9.675 1.00 60.49 ? 274 TRP A O 1 ATOM 2222 C CB . TRP A 1 274 ? 59.890 12.403 7.902 1.00 61.15 ? 274 TRP A CB 1 ATOM 2223 C CG . TRP A 1 274 ? 58.718 11.894 8.673 1.00 63.42 ? 274 TRP A CG 1 ATOM 2224 C CD1 . TRP A 1 274 ? 57.806 12.641 9.370 1.00 63.66 ? 274 TRP A CD1 1 ATOM 2225 C CD2 . TRP A 1 274 ? 58.359 10.527 8.877 1.00 64.32 ? 274 TRP A CD2 1 ATOM 2226 N NE1 . TRP A 1 274 ? 56.903 11.819 10.000 1.00 64.84 ? 274 TRP A NE1 1 ATOM 2227 C CE2 . TRP A 1 274 ? 57.218 10.515 9.713 1.00 65.40 ? 274 TRP A CE2 1 ATOM 2228 C CE3 . TRP A 1 274 ? 58.888 9.307 8.435 1.00 65.13 ? 274 TRP A CE3 1 ATOM 2229 C CZ2 . TRP A 1 274 ? 56.597 9.329 10.120 1.00 66.03 ? 274 TRP A CZ2 1 ATOM 2230 C CZ3 . TRP A 1 274 ? 58.272 8.126 8.838 1.00 66.61 ? 274 TRP A CZ3 1 ATOM 2231 C CH2 . TRP A 1 274 ? 57.136 8.147 9.673 1.00 67.43 ? 274 TRP A CH2 1 ATOM 2232 O OXT . TRP A 1 274 ? 60.780 12.183 10.962 1.00 58.97 ? 274 TRP A OXT 1 ATOM 2233 N N . ILE B 2 1 ? 34.879 38.957 -15.144 1.00 74.76 ? 1 ILE B N 1 ATOM 2234 C CA . ILE B 2 1 ? 35.494 37.600 -15.023 1.00 75.05 ? 1 ILE B CA 1 ATOM 2235 C C . ILE B 2 1 ? 35.107 36.988 -13.677 1.00 73.57 ? 1 ILE B C 1 ATOM 2236 O O . ILE B 2 1 ? 35.131 37.672 -12.649 1.00 73.97 ? 1 ILE B O 1 ATOM 2237 C CB . ILE B 2 1 ? 37.039 37.677 -15.103 1.00 76.60 ? 1 ILE B CB 1 ATOM 2238 C CG1 . ILE B 2 1 ? 37.464 38.665 -16.198 1.00 77.19 ? 1 ILE B CG1 1 ATOM 2239 C CG2 . ILE B 2 1 ? 37.613 36.291 -15.379 1.00 77.06 ? 1 ILE B CG2 1 ATOM 2240 C CD1 . ILE B 2 1 ? 36.914 38.353 -17.586 1.00 78.02 ? 1 ILE B CD1 1 ATOM 2241 N N . GLN B 2 2 ? 34.755 35.705 -13.681 1.00 71.10 ? 2 GLN B N 1 ATOM 2242 C CA . GLN B 2 2 ? 34.356 35.032 -12.449 1.00 68.27 ? 2 GLN B CA 1 ATOM 2243 C C . GLN B 2 2 ? 35.335 33.955 -11.989 1.00 66.06 ? 2 GLN B C 1 ATOM 2244 O O . GLN B 2 2 ? 35.500 32.919 -12.637 1.00 66.34 ? 2 GLN B O 1 ATOM 2245 C CB . GLN B 2 2 ? 32.966 34.421 -12.609 1.00 68.41 ? 2 GLN B CB 1 ATOM 2246 C CG . GLN B 2 2 ? 32.413 33.848 -11.324 1.00 69.61 ? 2 GLN B CG 1 ATOM 2247 C CD . GLN B 2 2 ? 31.016 33.307 -11.490 1.00 70.57 ? 2 GLN B CD 1 ATOM 2248 O OE1 . GLN B 2 2 ? 30.791 32.364 -12.249 1.00 70.76 ? 2 GLN B OE1 1 ATOM 2249 N NE2 . GLN B 2 2 ? 30.061 33.903 -10.782 1.00 70.98 ? 2 GLN B NE2 1 ATOM 2250 N N . LYS B 2 3 ? 35.974 34.209 -10.854 1.00 63.13 ? 3 LYS B N 1 ATOM 2251 C CA . LYS B 2 3 ? 36.941 33.280 -10.291 1.00 60.00 ? 3 LYS B CA 1 ATOM 2252 C C . LYS B 2 3 ? 36.377 32.655 -9.028 1.00 56.96 ? 3 LYS B C 1 ATOM 2253 O O . LYS B 2 3 ? 35.800 33.343 -8.186 1.00 55.98 ? 3 LYS B O 1 ATOM 2254 C CB . LYS B 2 3 ? 38.246 34.013 -9.982 1.00 59.77 ? 3 LYS B CB 1 ATOM 2255 C CG . LYS B 2 3 ? 38.870 34.649 -11.210 1.00 61.99 ? 3 LYS B CG 1 ATOM 2256 C CD . LYS B 2 3 ? 39.835 35.756 -10.840 1.00 64.51 ? 3 LYS B CD 1 ATOM 2257 C CE . LYS B 2 3 ? 40.151 36.624 -12.051 1.00 66.42 ? 3 LYS B CE 1 ATOM 2258 N NZ . LYS B 2 3 ? 40.748 37.944 -11.669 1.00 67.78 ? 3 LYS B NZ 1 ATOM 2259 N N . THR B 2 4 ? 36.540 31.344 -8.908 1.00 54.03 ? 4 THR B N 1 ATOM 2260 C CA . THR B 2 4 ? 36.050 30.618 -7.747 1.00 51.62 ? 4 THR B CA 1 ATOM 2261 C C . THR B 2 4 ? 37.038 30.747 -6.589 1.00 48.90 ? 4 THR B C 1 ATOM 2262 O O . THR B 2 4 ? 38.247 30.610 -6.771 1.00 48.58 ? 4 THR B O 1 ATOM 2263 C CB . THR B 2 4 ? 35.845 29.133 -8.082 1.00 52.53 ? 4 THR B CB 1 ATOM 2264 O OG1 . THR B 2 4 ? 35.052 29.024 -9.272 1.00 54.54 ? 4 THR B OG1 1 ATOM 2265 C CG2 . THR B 2 4 ? 35.133 28.424 -6.943 1.00 51.94 ? 4 THR B CG2 1 ATOM 2266 N N . PRO B 2 5 ? 36.528 31.018 -5.379 1.00 46.62 ? 5 PRO B N 1 ATOM 2267 C CA . PRO B 2 5 ? 37.364 31.169 -4.190 1.00 44.32 ? 5 PRO B CA 1 ATOM 2268 C C . PRO B 2 5 ? 37.980 29.885 -3.662 1.00 43.29 ? 5 PRO B C 1 ATOM 2269 O O . PRO B 2 5 ? 37.328 28.838 -3.597 1.00 43.03 ? 5 PRO B O 1 ATOM 2270 C CB . PRO B 2 5 ? 36.408 31.785 -3.180 1.00 44.25 ? 5 PRO B CB 1 ATOM 2271 C CG . PRO B 2 5 ? 35.119 31.131 -3.534 1.00 45.14 ? 5 PRO B CG 1 ATOM 2272 C CD . PRO B 2 5 ? 35.111 31.245 -5.044 1.00 46.40 ? 5 PRO B CD 1 ATOM 2273 N N . GLN B 2 6 ? 39.253 29.984 -3.298 1.00 40.99 ? 6 GLN B N 1 ATOM 2274 C CA . GLN B 2 6 ? 39.985 28.873 -2.722 1.00 39.19 ? 6 GLN B CA 1 ATOM 2275 C C . GLN B 2 6 ? 39.719 29.050 -1.233 1.00 36.47 ? 6 GLN B C 1 ATOM 2276 O O . GLN B 2 6 ? 39.690 30.182 -0.736 1.00 35.62 ? 6 GLN B O 1 ATOM 2277 C CB . GLN B 2 6 ? 41.477 29.017 -3.023 1.00 42.45 ? 6 GLN B CB 1 ATOM 2278 C CG . GLN B 2 6 ? 41.774 29.166 -4.498 1.00 46.26 ? 6 GLN B CG 1 ATOM 2279 C CD . GLN B 2 6 ? 41.356 27.943 -5.286 1.00 49.23 ? 6 GLN B CD 1 ATOM 2280 O OE1 . GLN B 2 6 ? 42.013 26.904 -5.224 1.00 50.49 ? 6 GLN B OE1 1 ATOM 2281 N NE2 . GLN B 2 6 ? 40.249 28.053 -6.022 1.00 48.99 ? 6 GLN B NE2 1 ATOM 2282 N N . ILE B 2 7 ? 39.516 27.949 -0.522 1.00 32.30 ? 7 ILE B N 1 ATOM 2283 C CA . ILE B 2 7 ? 39.223 28.033 0.901 1.00 30.04 ? 7 ILE B CA 1 ATOM 2284 C C . ILE B 2 7 ? 40.189 27.221 1.747 1.00 29.98 ? 7 ILE B C 1 ATOM 2285 O O . ILE B 2 7 ? 40.209 25.990 1.670 1.00 31.55 ? 7 ILE B O 1 ATOM 2286 C CB . ILE B 2 7 ? 37.794 27.556 1.170 1.00 28.32 ? 7 ILE B CB 1 ATOM 2287 C CG1 . ILE B 2 7 ? 36.852 28.239 0.175 1.00 27.05 ? 7 ILE B CG1 1 ATOM 2288 C CG2 . ILE B 2 7 ? 37.406 27.856 2.605 1.00 25.51 ? 7 ILE B CG2 1 ATOM 2289 C CD1 . ILE B 2 7 ? 35.392 27.943 0.379 1.00 29.21 ? 7 ILE B CD1 1 ATOM 2290 N N . GLN B 2 8 ? 40.985 27.917 2.555 1.00 28.42 ? 8 GLN B N 1 ATOM 2291 C CA . GLN B 2 8 ? 41.969 27.276 3.422 1.00 27.05 ? 8 GLN B CA 1 ATOM 2292 C C . GLN B 2 8 ? 41.656 27.506 4.899 1.00 26.25 ? 8 GLN B C 1 ATOM 2293 O O . GLN B 2 8 ? 41.499 28.642 5.340 1.00 27.62 ? 8 GLN B O 1 ATOM 2294 C CB . GLN B 2 8 ? 43.360 27.811 3.097 1.00 28.32 ? 8 GLN B CB 1 ATOM 2295 C CG . GLN B 2 8 ? 43.799 27.513 1.681 1.00 31.65 ? 8 GLN B CG 1 ATOM 2296 C CD . GLN B 2 8 ? 44.829 28.496 1.174 1.00 33.47 ? 8 GLN B CD 1 ATOM 2297 O OE1 . GLN B 2 8 ? 45.999 28.439 1.542 1.00 33.53 ? 8 GLN B OE1 1 ATOM 2298 N NE2 . GLN B 2 8 ? 44.386 29.424 0.330 1.00 36.90 ? 8 GLN B NE2 1 ATOM 2299 N N . VAL B 2 9 ? 41.565 26.418 5.658 1.00 24.48 ? 9 VAL B N 1 ATOM 2300 C CA . VAL B 2 9 ? 41.268 26.493 7.088 1.00 22.07 ? 9 VAL B CA 1 ATOM 2301 C C . VAL B 2 9 ? 42.455 25.906 7.837 1.00 20.96 ? 9 VAL B C 1 ATOM 2302 O O . VAL B 2 9 ? 42.897 24.804 7.517 1.00 21.41 ? 9 VAL B O 1 ATOM 2303 C CB . VAL B 2 9 ? 39.975 25.693 7.431 1.00 21.80 ? 9 VAL B CB 1 ATOM 2304 C CG1 . VAL B 2 9 ? 39.666 25.794 8.925 1.00 20.53 ? 9 VAL B CG1 1 ATOM 2305 C CG2 . VAL B 2 9 ? 38.802 26.226 6.608 1.00 18.75 ? 9 VAL B CG2 1 ATOM 2306 N N . TYR B 2 10 ? 42.965 26.641 8.827 1.00 19.40 ? 10 TYR B N 1 ATOM 2307 C CA . TYR B 2 10 ? 44.130 26.205 9.597 1.00 19.12 ? 10 TYR B CA 1 ATOM 2308 C C . TYR B 2 10 ? 44.284 26.973 10.915 1.00 20.63 ? 10 TYR B C 1 ATOM 2309 O O . TYR B 2 10 ? 43.677 28.028 11.107 1.00 21.51 ? 10 TYR B O 1 ATOM 2310 C CB . TYR B 2 10 ? 45.401 26.408 8.756 1.00 18.94 ? 10 TYR B CB 1 ATOM 2311 C CG . TYR B 2 10 ? 45.486 27.793 8.134 1.00 19.31 ? 10 TYR B CG 1 ATOM 2312 C CD1 . TYR B 2 10 ? 44.751 28.109 6.988 1.00 18.98 ? 10 TYR B CD1 1 ATOM 2313 C CD2 . TYR B 2 10 ? 46.254 28.803 8.719 1.00 18.72 ? 10 TYR B CD2 1 ATOM 2314 C CE1 . TYR B 2 10 ? 44.769 29.390 6.442 1.00 18.50 ? 10 TYR B CE1 1 ATOM 2315 C CE2 . TYR B 2 10 ? 46.279 30.096 8.181 1.00 20.79 ? 10 TYR B CE2 1 ATOM 2316 C CZ . TYR B 2 10 ? 45.532 30.380 7.039 1.00 20.58 ? 10 TYR B CZ 1 ATOM 2317 O OH . TYR B 2 10 ? 45.540 31.649 6.498 1.00 19.76 ? 10 TYR B OH 1 ATOM 2318 N N . SER B 2 11 ? 45.116 26.452 11.812 1.00 19.17 ? 11 SER B N 1 ATOM 2319 C CA . SER B 2 11 ? 45.352 27.110 13.091 1.00 20.81 ? 11 SER B CA 1 ATOM 2320 C C . SER B 2 11 ? 46.724 27.796 13.139 1.00 22.15 ? 11 SER B C 1 ATOM 2321 O O . SER B 2 11 ? 47.638 27.439 12.405 1.00 21.43 ? 11 SER B O 1 ATOM 2322 C CB . SER B 2 11 ? 45.251 26.098 14.239 1.00 20.91 ? 11 SER B CB 1 ATOM 2323 O OG . SER B 2 11 ? 46.240 25.085 14.138 1.00 21.15 ? 11 SER B OG 1 ATOM 2324 N N . ARG B 2 12 ? 46.855 28.786 14.015 1.00 23.71 ? 12 ARG B N 1 ATOM 2325 C CA . ARG B 2 12 ? 48.109 29.517 14.188 1.00 24.89 ? 12 ARG B CA 1 ATOM 2326 C C . ARG B 2 12 ? 49.207 28.605 14.735 1.00 24.90 ? 12 ARG B C 1 ATOM 2327 O O . ARG B 2 12 ? 50.320 28.582 14.221 1.00 23.98 ? 12 ARG B O 1 ATOM 2328 C CB . ARG B 2 12 ? 47.899 30.675 15.162 1.00 25.33 ? 12 ARG B CB 1 ATOM 2329 C CG . ARG B 2 12 ? 49.181 31.290 15.687 1.00 25.48 ? 12 ARG B CG 1 ATOM 2330 C CD . ARG B 2 12 ? 49.899 32.107 14.633 1.00 24.83 ? 12 ARG B CD 1 ATOM 2331 N NE . ARG B 2 12 ? 51.113 32.676 15.201 1.00 27.75 ? 12 ARG B NE 1 ATOM 2332 C CZ . ARG B 2 12 ? 52.174 31.958 15.560 1.00 28.93 ? 12 ARG B CZ 1 ATOM 2333 N NH1 . ARG B 2 12 ? 52.175 30.639 15.400 1.00 28.61 ? 12 ARG B NH1 1 ATOM 2334 N NH2 . ARG B 2 12 ? 53.226 32.556 16.100 1.00 27.53 ? 12 ARG B NH2 1 ATOM 2335 N N . HIS B 2 13 ? 48.878 27.877 15.798 1.00 26.42 ? 13 HIS B N 1 ATOM 2336 C CA . HIS B 2 13 ? 49.806 26.953 16.442 1.00 27.48 ? 13 HIS B CA 1 ATOM 2337 C C . HIS B 2 13 ? 49.379 25.519 16.188 1.00 29.08 ? 13 HIS B C 1 ATOM 2338 O O . HIS B 2 13 ? 48.205 25.244 15.928 1.00 28.14 ? 13 HIS B O 1 ATOM 2339 C CB . HIS B 2 13 ? 49.815 27.154 17.961 1.00 27.22 ? 13 HIS B CB 1 ATOM 2340 C CG . HIS B 2 13 ? 50.287 28.502 18.399 1.00 30.15 ? 13 HIS B CG 1 ATOM 2341 N ND1 . HIS B 2 13 ? 51.596 28.912 18.272 1.00 30.48 ? 13 HIS B ND1 1 ATOM 2342 C CD2 . HIS B 2 13 ? 49.618 29.538 18.964 1.00 29.09 ? 13 HIS B CD2 1 ATOM 2343 C CE1 . HIS B 2 13 ? 51.715 30.143 18.739 1.00 31.08 ? 13 HIS B CE1 1 ATOM 2344 N NE2 . HIS B 2 13 ? 50.528 30.543 19.164 1.00 31.87 ? 13 HIS B NE2 1 ATOM 2345 N N . PRO B 2 14 ? 50.335 24.582 16.236 1.00 31.56 ? 14 PRO B N 1 ATOM 2346 C CA . PRO B 2 14 ? 49.953 23.184 16.018 1.00 33.30 ? 14 PRO B CA 1 ATOM 2347 C C . PRO B 2 14 ? 48.908 22.915 17.100 1.00 34.07 ? 14 PRO B C 1 ATOM 2348 O O . PRO B 2 14 ? 49.095 23.276 18.264 1.00 33.00 ? 14 PRO B O 1 ATOM 2349 C CB . PRO B 2 14 ? 51.255 22.434 16.255 1.00 32.39 ? 14 PRO B CB 1 ATOM 2350 C CG . PRO B 2 14 ? 52.287 23.419 15.746 1.00 33.29 ? 14 PRO B CG 1 ATOM 2351 C CD . PRO B 2 14 ? 51.799 24.730 16.324 1.00 31.87 ? 14 PRO B CD 1 ATOM 2352 N N . PRO B 2 15 ? 47.787 22.297 16.726 1.00 36.37 ? 15 PRO B N 1 ATOM 2353 C CA . PRO B 2 15 ? 46.716 22.006 17.684 1.00 37.59 ? 15 PRO B CA 1 ATOM 2354 C C . PRO B 2 15 ? 47.127 21.205 18.912 1.00 37.95 ? 15 PRO B C 1 ATOM 2355 O O . PRO B 2 15 ? 47.863 20.226 18.814 1.00 37.94 ? 15 PRO B O 1 ATOM 2356 C CB . PRO B 2 15 ? 45.676 21.291 16.825 1.00 37.80 ? 15 PRO B CB 1 ATOM 2357 C CG . PRO B 2 15 ? 46.527 20.595 15.794 1.00 39.14 ? 15 PRO B CG 1 ATOM 2358 C CD . PRO B 2 15 ? 47.521 21.665 15.423 1.00 37.27 ? 15 PRO B CD 1 ATOM 2359 N N . GLU B 2 16 ? 46.646 21.647 20.068 1.00 38.98 ? 16 GLU B N 1 ATOM 2360 C CA . GLU B 2 16 ? 46.928 20.991 21.334 1.00 41.02 ? 16 GLU B CA 1 ATOM 2361 C C . GLU B 2 16 ? 45.731 21.227 22.259 1.00 41.52 ? 16 GLU B C 1 ATOM 2362 O O . GLU B 2 16 ? 45.518 22.342 22.747 1.00 42.14 ? 16 GLU B O 1 ATOM 2363 C CB . GLU B 2 16 ? 48.199 21.572 21.943 1.00 43.22 ? 16 GLU B CB 1 ATOM 2364 C CG . GLU B 2 16 ? 48.808 20.714 23.029 1.00 49.25 ? 16 GLU B CG 1 ATOM 2365 C CD . GLU B 2 16 ? 50.116 21.284 23.553 1.00 53.31 ? 16 GLU B CD 1 ATOM 2366 O OE1 . GLU B 2 16 ? 50.978 21.659 22.720 1.00 53.05 ? 16 GLU B OE1 1 ATOM 2367 O OE2 . GLU B 2 16 ? 50.285 21.349 24.795 1.00 55.13 ? 16 GLU B OE2 1 ATOM 2368 N N . ASN B 2 17 ? 44.945 20.174 22.482 1.00 41.15 ? 17 ASN B N 1 ATOM 2369 C CA . ASN B 2 17 ? 43.747 20.251 23.321 1.00 40.21 ? 17 ASN B CA 1 ATOM 2370 C C . ASN B 2 17 ? 43.950 21.073 24.586 1.00 38.91 ? 17 ASN B C 1 ATOM 2371 O O . ASN B 2 17 ? 44.948 20.923 25.280 1.00 37.78 ? 17 ASN B O 1 ATOM 2372 C CB . ASN B 2 17 ? 43.278 18.846 23.713 1.00 42.56 ? 17 ASN B CB 1 ATOM 2373 C CG . ASN B 2 17 ? 43.063 17.936 22.511 1.00 44.13 ? 17 ASN B CG 1 ATOM 2374 O OD1 . ASN B 2 17 ? 42.438 18.325 21.523 1.00 44.04 ? 17 ASN B OD1 1 ATOM 2375 N ND2 . ASN B 2 17 ? 43.571 16.712 22.599 1.00 44.56 ? 17 ASN B ND2 1 ATOM 2376 N N . GLY B 2 18 ? 42.994 21.947 24.878 1.00 38.82 ? 18 GLY B N 1 ATOM 2377 C CA . GLY B 2 18 ? 43.078 22.771 26.069 1.00 38.53 ? 18 GLY B CA 1 ATOM 2378 C C . GLY B 2 18 ? 44.058 23.927 26.015 1.00 38.76 ? 18 GLY B C 1 ATOM 2379 O O . GLY B 2 18 ? 44.272 24.598 27.022 1.00 40.48 ? 18 GLY B O 1 ATOM 2380 N N . LYS B 2 19 ? 44.650 24.178 24.854 1.00 38.28 ? 19 LYS B N 1 ATOM 2381 C CA . LYS B 2 19 ? 45.614 25.269 24.724 1.00 38.31 ? 19 LYS B CA 1 ATOM 2382 C C . LYS B 2 19 ? 45.115 26.339 23.753 1.00 37.14 ? 19 LYS B C 1 ATOM 2383 O O . LYS B 2 19 ? 44.896 26.056 22.575 1.00 37.94 ? 19 LYS B O 1 ATOM 2384 C CB . LYS B 2 19 ? 46.952 24.708 24.240 1.00 40.11 ? 19 LYS B CB 1 ATOM 2385 C CG . LYS B 2 19 ? 48.053 25.739 24.090 1.00 43.24 ? 19 LYS B CG 1 ATOM 2386 C CD . LYS B 2 19 ? 48.409 26.378 25.422 1.00 45.99 ? 19 LYS B CD 1 ATOM 2387 C CE . LYS B 2 19 ? 49.665 27.252 25.313 1.00 48.48 ? 19 LYS B CE 1 ATOM 2388 N NZ . LYS B 2 19 ? 50.910 26.467 25.002 1.00 48.18 ? 19 LYS B NZ 1 ATOM 2389 N N . PRO B 2 20 ? 44.920 27.584 24.237 1.00 35.96 ? 20 PRO B N 1 ATOM 2390 C CA . PRO B 2 20 ? 44.444 28.697 23.405 1.00 33.19 ? 20 PRO B CA 1 ATOM 2391 C C . PRO B 2 20 ? 45.159 28.721 22.060 1.00 31.89 ? 20 PRO B C 1 ATOM 2392 O O . PRO B 2 20 ? 46.370 28.499 21.977 1.00 32.68 ? 20 PRO B O 1 ATOM 2393 C CB . PRO B 2 20 ? 44.758 29.916 24.257 1.00 32.32 ? 20 PRO B CB 1 ATOM 2394 C CG . PRO B 2 20 ? 44.504 29.412 25.619 1.00 34.47 ? 20 PRO B CG 1 ATOM 2395 C CD . PRO B 2 20 ? 45.172 28.046 25.613 1.00 35.41 ? 20 PRO B CD 1 ATOM 2396 N N . ASN B 2 21 ? 44.404 28.997 21.008 1.00 28.85 ? 21 ASN B N 1 ATOM 2397 C CA . ASN B 2 21 ? 44.958 29.007 19.666 1.00 26.38 ? 21 ASN B CA 1 ATOM 2398 C C . ASN B 2 21 ? 44.130 29.991 18.851 1.00 25.04 ? 21 ASN B C 1 ATOM 2399 O O . ASN B 2 21 ? 43.326 30.742 19.404 1.00 26.08 ? 21 ASN B O 1 ATOM 2400 C CB . ASN B 2 21 ? 44.820 27.600 19.073 1.00 27.19 ? 21 ASN B CB 1 ATOM 2401 C CG . ASN B 2 21 ? 45.819 27.320 17.976 1.00 28.31 ? 21 ASN B CG 1 ATOM 2402 O OD1 . ASN B 2 21 ? 46.222 28.221 17.238 1.00 28.26 ? 21 ASN B OD1 1 ATOM 2403 N ND2 . ASN B 2 21 ? 46.218 26.054 17.853 1.00 25.62 ? 21 ASN B ND2 1 ATOM 2404 N N . ILE B 2 22 ? 44.323 29.980 17.539 1.00 22.12 ? 22 ILE B N 1 ATOM 2405 C CA . ILE B 2 22 ? 43.560 30.845 16.648 1.00 21.07 ? 22 ILE B CA 1 ATOM 2406 C C . ILE B 2 22 ? 43.206 30.034 15.412 1.00 19.84 ? 22 ILE B C 1 ATOM 2407 O O . ILE B 2 22 ? 44.059 29.348 14.854 1.00 18.83 ? 22 ILE B O 1 ATOM 2408 C CB . ILE B 2 22 ? 44.366 32.095 16.199 1.00 20.78 ? 22 ILE B CB 1 ATOM 2409 C CG1 . ILE B 2 22 ? 44.756 32.945 17.409 1.00 19.50 ? 22 ILE B CG1 1 ATOM 2410 C CG2 . ILE B 2 22 ? 43.535 32.920 15.212 1.00 16.57 ? 22 ILE B CG2 1 ATOM 2411 C CD1 . ILE B 2 22 ? 45.589 34.171 17.037 1.00 19.55 ? 22 ILE B CD1 1 ATOM 2412 N N . LEU B 2 23 ? 41.947 30.100 14.993 1.00 19.92 ? 23 LEU B N 1 ATOM 2413 C CA . LEU B 2 23 ? 41.519 29.368 13.811 1.00 19.56 ? 23 LEU B CA 1 ATOM 2414 C C . LEU B 2 23 ? 41.327 30.346 12.667 1.00 20.54 ? 23 LEU B C 1 ATOM 2415 O O . LEU B 2 23 ? 40.627 31.358 12.801 1.00 19.36 ? 23 LEU B O 1 ATOM 2416 C CB . LEU B 2 23 ? 40.208 28.624 14.062 1.00 19.53 ? 23 LEU B CB 1 ATOM 2417 C CG . LEU B 2 23 ? 39.834 27.653 12.941 1.00 19.97 ? 23 LEU B CG 1 ATOM 2418 C CD1 . LEU B 2 23 ? 40.880 26.525 12.857 1.00 22.83 ? 23 LEU B CD1 1 ATOM 2419 C CD2 . LEU B 2 23 ? 38.469 27.065 13.220 1.00 20.14 ? 23 LEU B CD2 1 ATOM 2420 N N . ASN B 2 24 ? 41.943 30.020 11.540 1.00 19.94 ? 24 ASN B N 1 ATOM 2421 C CA . ASN B 2 24 ? 41.880 30.848 10.358 1.00 20.84 ? 24 ASN B CA 1 ATOM 2422 C C . ASN B 2 24 ? 41.152 30.192 9.204 1.00 23.05 ? 24 ASN B C 1 ATOM 2423 O O . ASN B 2 24 ? 41.131 28.964 9.060 1.00 23.86 ? 24 ASN B O 1 ATOM 2424 C CB . ASN B 2 24 ? 43.295 31.190 9.891 1.00 22.01 ? 24 ASN B CB 1 ATOM 2425 C CG . ASN B 2 24 ? 44.056 32.001 10.903 1.00 22.96 ? 24 ASN B CG 1 ATOM 2426 O OD1 . ASN B 2 24 ? 43.941 33.229 10.943 1.00 23.04 ? 24 ASN B OD1 1 ATOM 2427 N ND2 . ASN B 2 24 ? 44.828 31.324 11.742 1.00 20.99 ? 24 ASN B ND2 1 ATOM 2428 N N . CYS B 2 25 ? 40.547 31.040 8.386 1.00 23.24 ? 25 CYS B N 1 ATOM 2429 C CA . CYS B 2 25 ? 39.863 30.617 7.183 1.00 23.35 ? 25 CYS B CA 1 ATOM 2430 C C . CYS B 2 25 ? 40.231 31.694 6.165 1.00 22.46 ? 25 CYS B C 1 ATOM 2431 O O . CYS B 2 25 ? 39.705 32.814 6.182 1.00 20.09 ? 25 CYS B O 1 ATOM 2432 C CB . CYS B 2 25 ? 38.344 30.551 7.351 1.00 25.49 ? 25 CYS B CB 1 ATOM 2433 S SG . CYS B 2 25 ? 37.575 30.053 5.775 1.00 31.90 ? 25 CYS B SG 1 ATOM 2434 N N . TYR B 2 26 ? 41.179 31.346 5.310 1.00 20.24 ? 26 TYR B N 1 ATOM 2435 C CA . TYR B 2 26 ? 41.655 32.240 4.283 1.00 20.15 ? 26 TYR B CA 1 ATOM 2436 C C . TYR B 2 26 ? 40.889 31.920 3.012 1.00 20.14 ? 26 TYR B C 1 ATOM 2437 O O . TYR B 2 26 ? 40.962 30.806 2.490 1.00 19.40 ? 26 TYR B O 1 ATOM 2438 C CB . TYR B 2 26 ? 43.159 32.021 4.089 1.00 19.87 ? 26 TYR B CB 1 ATOM 2439 C CG . TYR B 2 26 ? 43.900 33.186 3.477 1.00 19.84 ? 26 TYR B CG 1 ATOM 2440 C CD1 . TYR B 2 26 ? 43.510 34.503 3.732 1.00 20.42 ? 26 TYR B CD1 1 ATOM 2441 C CD2 . TYR B 2 26 ? 45.020 32.977 2.674 1.00 19.67 ? 26 TYR B CD2 1 ATOM 2442 C CE1 . TYR B 2 26 ? 44.219 35.579 3.202 1.00 19.92 ? 26 TYR B CE1 1 ATOM 2443 C CE2 . TYR B 2 26 ? 45.737 34.045 2.144 1.00 19.05 ? 26 TYR B CE2 1 ATOM 2444 C CZ . TYR B 2 26 ? 45.333 35.338 2.411 1.00 20.26 ? 26 TYR B CZ 1 ATOM 2445 O OH . TYR B 2 26 ? 46.058 36.390 1.905 1.00 22.45 ? 26 TYR B OH 1 ATOM 2446 N N . VAL B 2 27 ? 40.134 32.898 2.533 1.00 21.18 ? 27 VAL B N 1 ATOM 2447 C CA . VAL B 2 27 ? 39.344 32.746 1.317 1.00 23.12 ? 27 VAL B CA 1 ATOM 2448 C C . VAL B 2 27 ? 40.046 33.576 0.255 1.00 24.28 ? 27 VAL B C 1 ATOM 2449 O O . VAL B 2 27 ? 40.181 34.787 0.397 1.00 25.82 ? 27 VAL B O 1 ATOM 2450 C CB . VAL B 2 27 ? 37.910 33.252 1.546 1.00 24.09 ? 27 VAL B CB 1 ATOM 2451 C CG1 . VAL B 2 27 ? 37.099 33.149 0.260 1.00 25.79 ? 27 VAL B CG1 1 ATOM 2452 C CG2 . VAL B 2 27 ? 37.257 32.431 2.665 1.00 22.69 ? 27 VAL B CG2 1 ATOM 2453 N N . THR B 2 28 ? 40.479 32.936 -0.824 1.00 26.19 ? 28 THR B N 1 ATOM 2454 C CA . THR B 2 28 ? 41.236 33.658 -1.836 1.00 26.38 ? 28 THR B CA 1 ATOM 2455 C C . THR B 2 28 ? 40.872 33.462 -3.299 1.00 28.08 ? 28 THR B C 1 ATOM 2456 O O . THR B 2 28 ? 40.071 32.607 -3.657 1.00 27.53 ? 28 THR B O 1 ATOM 2457 C CB . THR B 2 28 ? 42.719 33.313 -1.692 1.00 25.95 ? 28 THR B CB 1 ATOM 2458 O OG1 . THR B 2 28 ? 42.904 31.914 -1.949 1.00 23.17 ? 28 THR B OG1 1 ATOM 2459 C CG2 . THR B 2 28 ? 43.192 33.623 -0.277 1.00 24.15 ? 28 THR B CG2 1 ATOM 2460 N N . GLN B 2 29 ? 41.496 34.286 -4.135 1.00 30.80 ? 29 GLN B N 1 ATOM 2461 C CA . GLN B 2 29 ? 41.331 34.260 -5.584 1.00 34.11 ? 29 GLN B CA 1 ATOM 2462 C C . GLN B 2 29 ? 39.914 34.303 -6.138 1.00 33.49 ? 29 GLN B C 1 ATOM 2463 O O . GLN B 2 29 ? 39.649 33.710 -7.183 1.00 35.61 ? 29 GLN B O 1 ATOM 2464 C CB . GLN B 2 29 ? 42.043 33.032 -6.162 1.00 36.66 ? 29 GLN B CB 1 ATOM 2465 C CG . GLN B 2 29 ? 43.525 32.972 -5.860 1.00 39.07 ? 29 GLN B CG 1 ATOM 2466 C CD . GLN B 2 29 ? 44.166 31.703 -6.375 1.00 41.77 ? 29 GLN B CD 1 ATOM 2467 O OE1 . GLN B 2 29 ? 44.224 31.469 -7.587 1.00 43.10 ? 29 GLN B OE1 1 ATOM 2468 N NE2 . GLN B 2 29 ? 44.649 30.867 -5.456 1.00 41.13 ? 29 GLN B NE2 1 ATOM 2469 N N . PHE B 2 30 ? 39.004 34.999 -5.467 1.00 32.51 ? 30 PHE B N 1 ATOM 2470 C CA . PHE B 2 30 ? 37.639 35.074 -5.966 1.00 31.34 ? 30 PHE B CA 1 ATOM 2471 C C . PHE B 2 30 ? 37.299 36.419 -6.605 1.00 32.87 ? 30 PHE B C 1 ATOM 2472 O O . PHE B 2 30 ? 38.000 37.419 -6.411 1.00 31.79 ? 30 PHE B O 1 ATOM 2473 C CB . PHE B 2 30 ? 36.639 34.773 -4.851 1.00 28.75 ? 30 PHE B CB 1 ATOM 2474 C CG . PHE B 2 30 ? 36.746 35.689 -3.670 1.00 28.27 ? 30 PHE B CG 1 ATOM 2475 C CD1 . PHE B 2 30 ? 37.706 35.473 -2.687 1.00 28.19 ? 30 PHE B CD1 1 ATOM 2476 C CD2 . PHE B 2 30 ? 35.878 36.770 -3.530 1.00 28.32 ? 30 PHE B CD2 1 ATOM 2477 C CE1 . PHE B 2 30 ? 37.798 36.323 -1.569 1.00 27.45 ? 30 PHE B CE1 1 ATOM 2478 C CE2 . PHE B 2 30 ? 35.964 37.623 -2.421 1.00 27.12 ? 30 PHE B CE2 1 ATOM 2479 C CZ . PHE B 2 30 ? 36.927 37.394 -1.439 1.00 25.82 ? 30 PHE B CZ 1 ATOM 2480 N N . HIS B 2 31 ? 36.216 36.417 -7.377 1.00 34.97 ? 31 HIS B N 1 ATOM 2481 C CA . HIS B 2 31 ? 35.713 37.601 -8.071 1.00 37.16 ? 31 HIS B CA 1 ATOM 2482 C C . HIS B 2 31 ? 34.360 37.230 -8.669 1.00 37.50 ? 31 HIS B C 1 ATOM 2483 O O . HIS B 2 31 ? 34.211 36.145 -9.230 1.00 38.87 ? 31 HIS B O 1 ATOM 2484 C CB . HIS B 2 31 ? 36.670 38.012 -9.183 1.00 38.51 ? 31 HIS B CB 1 ATOM 2485 C CG . HIS B 2 31 ? 36.643 39.478 -9.482 1.00 42.54 ? 31 HIS B CG 1 ATOM 2486 N ND1 . HIS B 2 31 ? 35.525 40.118 -9.973 1.00 43.60 ? 31 HIS B ND1 1 ATOM 2487 C CD2 . HIS B 2 31 ? 37.590 40.437 -9.329 1.00 42.24 ? 31 HIS B CD2 1 ATOM 2488 C CE1 . HIS B 2 31 ? 35.782 41.408 -10.109 1.00 43.96 ? 31 HIS B CE1 1 ATOM 2489 N NE2 . HIS B 2 31 ? 37.028 41.626 -9.726 1.00 44.27 ? 31 HIS B NE2 1 ATOM 2490 N N . PRO B 2 32 ? 33.355 38.119 -8.566 1.00 37.38 ? 32 PRO B N 1 ATOM 2491 C CA . PRO B 2 32 ? 33.334 39.445 -7.937 1.00 36.26 ? 32 PRO B CA 1 ATOM 2492 C C . PRO B 2 32 ? 33.624 39.390 -6.444 1.00 35.61 ? 32 PRO B C 1 ATOM 2493 O O . PRO B 2 32 ? 33.749 38.309 -5.875 1.00 35.07 ? 32 PRO B O 1 ATOM 2494 C CB . PRO B 2 32 ? 31.924 39.946 -8.250 1.00 36.67 ? 32 PRO B CB 1 ATOM 2495 C CG . PRO B 2 32 ? 31.124 38.694 -8.226 1.00 36.57 ? 32 PRO B CG 1 ATOM 2496 C CD . PRO B 2 32 ? 32.001 37.746 -9.013 1.00 36.82 ? 32 PRO B CD 1 ATOM 2497 N N . PRO B 2 33 ? 33.721 40.562 -5.789 1.00 35.75 ? 33 PRO B N 1 ATOM 2498 C CA . PRO B 2 33 ? 34.005 40.666 -4.356 1.00 35.97 ? 33 PRO B CA 1 ATOM 2499 C C . PRO B 2 33 ? 32.903 40.278 -3.367 1.00 37.31 ? 33 PRO B C 1 ATOM 2500 O O . PRO B 2 33 ? 33.205 39.951 -2.217 1.00 38.60 ? 33 PRO B O 1 ATOM 2501 C CB . PRO B 2 33 ? 34.429 42.126 -4.202 1.00 35.94 ? 33 PRO B CB 1 ATOM 2502 C CG . PRO B 2 33 ? 33.560 42.812 -5.192 1.00 34.48 ? 33 PRO B CG 1 ATOM 2503 C CD . PRO B 2 33 ? 33.656 41.904 -6.400 1.00 35.62 ? 33 PRO B CD 1 ATOM 2504 N N . HIS B 2 34 ? 31.637 40.316 -3.783 1.00 38.30 ? 34 HIS B N 1 ATOM 2505 C CA . HIS B 2 34 ? 30.557 39.956 -2.858 1.00 38.65 ? 34 HIS B CA 1 ATOM 2506 C C . HIS B 2 34 ? 30.689 38.493 -2.441 1.00 37.21 ? 34 HIS B C 1 ATOM 2507 O O . HIS B 2 34 ? 30.779 37.598 -3.282 1.00 35.52 ? 34 HIS B O 1 ATOM 2508 C CB . HIS B 2 34 ? 29.180 40.207 -3.480 1.00 41.98 ? 34 HIS B CB 1 ATOM 2509 C CG . HIS B 2 34 ? 28.045 39.957 -2.531 1.00 45.46 ? 34 HIS B CG 1 ATOM 2510 N ND1 . HIS B 2 34 ? 27.345 38.772 -2.506 1.00 46.19 ? 34 HIS B ND1 1 ATOM 2511 C CD2 . HIS B 2 34 ? 27.544 40.716 -1.528 1.00 46.81 ? 34 HIS B CD2 1 ATOM 2512 C CE1 . HIS B 2 34 ? 26.458 38.809 -1.523 1.00 47.38 ? 34 HIS B CE1 1 ATOM 2513 N NE2 . HIS B 2 34 ? 26.560 39.974 -0.915 1.00 47.24 ? 34 HIS B NE2 1 ATOM 2514 N N . ILE B 2 35 ? 30.689 38.257 -1.134 1.00 35.57 ? 35 ILE B N 1 ATOM 2515 C CA . ILE B 2 35 ? 30.871 36.911 -0.619 1.00 35.12 ? 35 ILE B CA 1 ATOM 2516 C C . ILE B 2 35 ? 30.458 36.842 0.847 1.00 35.97 ? 35 ILE B C 1 ATOM 2517 O O . ILE B 2 35 ? 30.578 37.818 1.578 1.00 36.16 ? 35 ILE B O 1 ATOM 2518 C CB . ILE B 2 35 ? 32.368 36.513 -0.768 1.00 33.29 ? 35 ILE B CB 1 ATOM 2519 C CG1 . ILE B 2 35 ? 32.573 35.027 -0.506 1.00 32.19 ? 35 ILE B CG1 1 ATOM 2520 C CG2 . ILE B 2 35 ? 33.220 37.330 0.199 1.00 31.87 ? 35 ILE B CG2 1 ATOM 2521 C CD1 . ILE B 2 35 ? 33.959 34.543 -0.916 1.00 30.19 ? 35 ILE B CD1 1 ATOM 2522 N N . GLU B 2 36 ? 29.955 35.691 1.273 1.00 38.67 ? 36 GLU B N 1 ATOM 2523 C CA . GLU B 2 36 ? 29.558 35.511 2.667 1.00 40.77 ? 36 GLU B CA 1 ATOM 2524 C C . GLU B 2 36 ? 30.468 34.431 3.253 1.00 39.06 ? 36 GLU B C 1 ATOM 2525 O O . GLU B 2 36 ? 30.636 33.365 2.661 1.00 37.48 ? 36 GLU B O 1 ATOM 2526 C CB . GLU B 2 36 ? 28.081 35.090 2.764 1.00 45.05 ? 36 GLU B CB 1 ATOM 2527 C CG . GLU B 2 36 ? 27.111 36.049 2.049 1.00 53.54 ? 36 GLU B CG 1 ATOM 2528 C CD . GLU B 2 36 ? 25.628 35.692 2.232 1.00 58.38 ? 36 GLU B CD 1 ATOM 2529 O OE1 . GLU B 2 36 ? 25.236 34.531 1.962 1.00 60.01 ? 36 GLU B OE1 1 ATOM 2530 O OE2 . GLU B 2 36 ? 24.847 36.588 2.637 1.00 62.21 ? 36 GLU B OE2 1 ATOM 2531 N N . ILE B 2 37 ? 31.066 34.719 4.404 1.00 37.29 ? 37 ILE B N 1 ATOM 2532 C CA . ILE B 2 37 ? 31.971 33.781 5.053 1.00 36.19 ? 37 ILE B CA 1 ATOM 2533 C C . ILE B 2 37 ? 31.558 33.506 6.496 1.00 37.04 ? 37 ILE B C 1 ATOM 2534 O O . ILE B 2 37 ? 31.379 34.427 7.292 1.00 37.89 ? 37 ILE B O 1 ATOM 2535 C CB . ILE B 2 37 ? 33.422 34.321 5.021 1.00 34.71 ? 37 ILE B CB 1 ATOM 2536 C CG1 . ILE B 2 37 ? 33.897 34.424 3.568 1.00 33.01 ? 37 ILE B CG1 1 ATOM 2537 C CG2 . ILE B 2 37 ? 34.346 33.404 5.806 1.00 33.94 ? 37 ILE B CG2 1 ATOM 2538 C CD1 . ILE B 2 37 ? 35.276 34.999 3.411 1.00 31.33 ? 37 ILE B CD1 1 ATOM 2539 N N . GLN B 2 38 ? 31.412 32.232 6.836 1.00 37.47 ? 38 GLN B N 1 ATOM 2540 C CA . GLN B 2 38 ? 31.002 31.875 8.183 1.00 37.72 ? 38 GLN B CA 1 ATOM 2541 C C . GLN B 2 38 ? 31.836 30.758 8.789 1.00 36.66 ? 38 GLN B C 1 ATOM 2542 O O . GLN B 2 38 ? 32.039 29.718 8.166 1.00 38.79 ? 38 GLN B O 1 ATOM 2543 C CB . GLN B 2 38 ? 29.536 31.459 8.166 1.00 41.05 ? 38 GLN B CB 1 ATOM 2544 C CG . GLN B 2 38 ? 28.702 32.103 9.250 1.00 47.71 ? 38 GLN B CG 1 ATOM 2545 C CD . GLN B 2 38 ? 27.223 31.819 9.079 1.00 51.83 ? 38 GLN B CD 1 ATOM 2546 O OE1 . GLN B 2 38 ? 26.789 30.663 9.133 1.00 53.80 ? 38 GLN B OE1 1 ATOM 2547 N NE2 . GLN B 2 38 ? 26.437 32.873 8.867 1.00 53.34 ? 38 GLN B NE2 1 ATOM 2548 N N . MET B 2 39 ? 32.323 30.976 10.003 1.00 34.28 ? 39 MET B N 1 ATOM 2549 C CA . MET B 2 39 ? 33.107 29.963 10.690 1.00 33.51 ? 39 MET B CA 1 ATOM 2550 C C . MET B 2 39 ? 32.117 29.207 11.565 1.00 33.92 ? 39 MET B C 1 ATOM 2551 O O . MET B 2 39 ? 31.201 29.815 12.118 1.00 34.15 ? 39 MET B O 1 ATOM 2552 C CB . MET B 2 39 ? 34.213 30.615 11.528 1.00 32.97 ? 39 MET B CB 1 ATOM 2553 C CG . MET B 2 39 ? 35.190 31.424 10.687 1.00 32.02 ? 39 MET B CG 1 ATOM 2554 S SD . MET B 2 39 ? 36.836 31.551 11.404 1.00 33.19 ? 39 MET B SD 1 ATOM 2555 C CE . MET B 2 39 ? 37.331 29.819 11.405 1.00 28.37 ? 39 MET B CE 1 ATOM 2556 N N . LEU B 2 40 ? 32.288 27.890 11.686 1.00 34.09 ? 40 LEU B N 1 ATOM 2557 C CA . LEU B 2 40 ? 31.354 27.080 12.465 1.00 32.26 ? 40 LEU B CA 1 ATOM 2558 C C . LEU B 2 40 ? 31.965 26.115 13.467 1.00 31.04 ? 40 LEU B C 1 ATOM 2559 O O . LEU B 2 40 ? 32.950 25.434 13.182 1.00 31.28 ? 40 LEU B O 1 ATOM 2560 C CB . LEU B 2 40 ? 30.467 26.275 11.519 1.00 33.76 ? 40 LEU B CB 1 ATOM 2561 C CG . LEU B 2 40 ? 29.744 27.043 10.413 1.00 36.81 ? 40 LEU B CG 1 ATOM 2562 C CD1 . LEU B 2 40 ? 29.064 26.062 9.481 1.00 37.71 ? 40 LEU B CD1 1 ATOM 2563 C CD2 . LEU B 2 40 ? 28.729 27.991 11.022 1.00 37.70 ? 40 LEU B CD2 1 ATOM 2564 N N . LYS B 2 41 ? 31.357 26.054 14.645 1.00 29.07 ? 41 LYS B N 1 ATOM 2565 C CA . LYS B 2 41 ? 31.803 25.143 15.684 1.00 28.34 ? 41 LYS B CA 1 ATOM 2566 C C . LYS B 2 41 ? 30.690 24.107 15.879 1.00 29.52 ? 41 LYS B C 1 ATOM 2567 O O . LYS B 2 41 ? 29.578 24.446 16.307 1.00 28.69 ? 41 LYS B O 1 ATOM 2568 C CB . LYS B 2 41 ? 32.053 25.899 16.985 1.00 26.22 ? 41 LYS B CB 1 ATOM 2569 C CG . LYS B 2 41 ? 32.619 25.023 18.077 1.00 26.75 ? 41 LYS B CG 1 ATOM 2570 C CD . LYS B 2 41 ? 32.699 25.748 19.401 1.00 29.17 ? 41 LYS B CD 1 ATOM 2571 C CE . LYS B 2 41 ? 33.386 24.883 20.450 1.00 32.29 ? 41 LYS B CE 1 ATOM 2572 N NZ . LYS B 2 41 ? 33.460 25.580 21.772 1.00 36.85 ? 41 LYS B NZ 1 ATOM 2573 N N . ASN B 2 42 ? 30.988 22.852 15.552 1.00 29.64 ? 42 ASN B N 1 ATOM 2574 C CA . ASN B 2 42 ? 30.010 21.769 15.676 1.00 30.59 ? 42 ASN B CA 1 ATOM 2575 C C . ASN B 2 42 ? 28.691 22.138 14.991 1.00 31.69 ? 42 ASN B C 1 ATOM 2576 O O . ASN B 2 42 ? 27.615 21.993 15.574 1.00 31.44 ? 42 ASN B O 1 ATOM 2577 C CB . ASN B 2 42 ? 29.741 21.442 17.150 1.00 31.06 ? 42 ASN B CB 1 ATOM 2578 C CG . ASN B 2 42 ? 30.989 20.992 17.894 1.00 32.90 ? 42 ASN B CG 1 ATOM 2579 O OD1 . ASN B 2 42 ? 31.694 20.075 17.459 1.00 34.80 ? 42 ASN B OD1 1 ATOM 2580 N ND2 . ASN B 2 42 ? 31.264 21.632 19.031 1.00 31.26 ? 42 ASN B ND2 1 ATOM 2581 N N . GLY B 2 43 ? 28.782 22.632 13.758 1.00 32.72 ? 43 GLY B N 1 ATOM 2582 C CA . GLY B 2 43 ? 27.597 22.998 13.003 1.00 34.04 ? 43 GLY B CA 1 ATOM 2583 C C . GLY B 2 43 ? 26.923 24.283 13.445 1.00 37.43 ? 43 GLY B C 1 ATOM 2584 O O . GLY B 2 43 ? 25.962 24.726 12.821 1.00 38.69 ? 43 GLY B O 1 ATOM 2585 N N . LYS B 2 44 ? 27.425 24.893 14.511 1.00 39.39 ? 44 LYS B N 1 ATOM 2586 C CA . LYS B 2 44 ? 26.841 26.125 15.024 1.00 42.32 ? 44 LYS B CA 1 ATOM 2587 C C . LYS B 2 44 ? 27.741 27.327 14.704 1.00 43.62 ? 44 LYS B C 1 ATOM 2588 O O . LYS B 2 44 ? 28.951 27.298 14.946 1.00 43.57 ? 44 LYS B O 1 ATOM 2589 C CB . LYS B 2 44 ? 26.641 25.982 16.533 1.00 44.24 ? 44 LYS B CB 1 ATOM 2590 C CG . LYS B 2 44 ? 25.630 26.914 17.160 1.00 46.01 ? 44 LYS B CG 1 ATOM 2591 C CD . LYS B 2 44 ? 25.350 26.455 18.591 1.00 48.71 ? 44 LYS B CD 1 ATOM 2592 C CE . LYS B 2 44 ? 24.468 27.431 19.350 1.00 50.73 ? 44 LYS B CE 1 ATOM 2593 N NZ . LYS B 2 44 ? 25.158 28.734 19.594 1.00 52.22 ? 44 LYS B NZ 1 ATOM 2594 N N . LYS B 2 45 ? 27.137 28.377 14.154 1.00 43.84 ? 45 LYS B N 1 ATOM 2595 C CA . LYS B 2 45 ? 27.853 29.594 13.777 1.00 44.34 ? 45 LYS B CA 1 ATOM 2596 C C . LYS B 2 45 ? 28.593 30.296 14.917 1.00 44.40 ? 45 LYS B C 1 ATOM 2597 O O . LYS B 2 45 ? 28.017 30.584 15.965 1.00 43.94 ? 45 LYS B O 1 ATOM 2598 C CB . LYS B 2 45 ? 26.878 30.574 13.117 1.00 44.80 ? 45 LYS B CB 1 ATOM 2599 C CG . LYS B 2 45 ? 27.434 31.969 12.882 1.00 47.16 ? 45 LYS B CG 1 ATOM 2600 C CD . LYS B 2 45 ? 26.473 32.805 12.040 1.00 49.68 ? 45 LYS B CD 1 ATOM 2601 C CE . LYS B 2 45 ? 26.977 34.235 11.827 1.00 50.86 ? 45 LYS B CE 1 ATOM 2602 N NZ . LYS B 2 45 ? 26.938 35.054 13.085 1.00 51.85 ? 45 LYS B NZ 1 ATOM 2603 N N . ILE B 2 46 ? 29.878 30.568 14.698 1.00 44.76 ? 46 ILE B N 1 ATOM 2604 C CA . ILE B 2 46 ? 30.700 31.251 15.687 1.00 44.51 ? 46 ILE B CA 1 ATOM 2605 C C . ILE B 2 46 ? 30.424 32.746 15.577 1.00 46.89 ? 46 ILE B C 1 ATOM 2606 O O . ILE B 2 46 ? 30.493 33.327 14.493 1.00 46.26 ? 46 ILE B O 1 ATOM 2607 C CB . ILE B 2 46 ? 32.192 30.998 15.446 1.00 42.01 ? 46 ILE B CB 1 ATOM 2608 C CG1 . ILE B 2 46 ? 32.465 29.492 15.440 1.00 40.40 ? 46 ILE B CG1 1 ATOM 2609 C CG2 . ILE B 2 46 ? 33.007 31.689 16.525 1.00 40.14 ? 46 ILE B CG2 1 ATOM 2610 C CD1 . ILE B 2 46 ? 33.909 29.124 15.168 1.00 37.05 ? 46 ILE B CD1 1 ATOM 2611 N N . PRO B 2 47 ? 30.103 33.389 16.708 1.00 49.41 ? 47 PRO B N 1 ATOM 2612 C CA . PRO B 2 47 ? 29.801 34.825 16.781 1.00 50.93 ? 47 PRO B CA 1 ATOM 2613 C C . PRO B 2 47 ? 30.969 35.805 16.613 1.00 51.60 ? 47 PRO B C 1 ATOM 2614 O O . PRO B 2 47 ? 30.976 36.626 15.694 1.00 52.54 ? 47 PRO B O 1 ATOM 2615 C CB . PRO B 2 47 ? 29.135 34.955 18.146 1.00 50.56 ? 47 PRO B CB 1 ATOM 2616 C CG . PRO B 2 47 ? 29.880 33.940 18.962 1.00 51.05 ? 47 PRO B CG 1 ATOM 2617 C CD . PRO B 2 47 ? 29.938 32.747 18.026 1.00 49.87 ? 47 PRO B CD 1 ATOM 2618 N N . LYS B 2 48 ? 31.953 35.723 17.501 1.00 52.46 ? 48 LYS B N 1 ATOM 2619 C CA . LYS B 2 48 ? 33.094 36.633 17.448 1.00 53.87 ? 48 LYS B CA 1 ATOM 2620 C C . LYS B 2 48 ? 34.113 36.289 16.355 1.00 51.99 ? 48 LYS B C 1 ATOM 2621 O O . LYS B 2 48 ? 35.219 35.816 16.643 1.00 52.18 ? 48 LYS B O 1 ATOM 2622 C CB . LYS B 2 48 ? 33.792 36.670 18.817 1.00 57.15 ? 48 LYS B CB 1 ATOM 2623 C CG . LYS B 2 48 ? 34.841 37.770 18.958 1.00 60.36 ? 48 LYS B CG 1 ATOM 2624 C CD . LYS B 2 48 ? 35.569 37.684 20.293 1.00 63.12 ? 48 LYS B CD 1 ATOM 2625 C CE . LYS B 2 48 ? 36.596 38.801 20.425 1.00 65.32 ? 48 LYS B CE 1 ATOM 2626 N NZ . LYS B 2 48 ? 37.440 38.640 21.642 1.00 66.29 ? 48 LYS B NZ 1 ATOM 2627 N N . VAL B 2 49 ? 33.738 36.530 15.102 1.00 48.59 ? 49 VAL B N 1 ATOM 2628 C CA . VAL B 2 49 ? 34.632 36.254 13.983 1.00 44.78 ? 49 VAL B CA 1 ATOM 2629 C C . VAL B 2 49 ? 35.138 37.566 13.402 1.00 42.98 ? 49 VAL B C 1 ATOM 2630 O O . VAL B 2 49 ? 34.358 38.398 12.946 1.00 42.02 ? 49 VAL B O 1 ATOM 2631 C CB . VAL B 2 49 ? 33.927 35.439 12.873 1.00 43.28 ? 49 VAL B CB 1 ATOM 2632 C CG1 . VAL B 2 49 ? 34.842 35.288 11.671 1.00 42.77 ? 49 VAL B CG1 1 ATOM 2633 C CG2 . VAL B 2 49 ? 33.555 34.075 13.398 1.00 42.74 ? 49 VAL B CG2 1 ATOM 2634 N N . GLU B 2 50 ? 36.453 37.739 13.432 1.00 42.25 ? 50 GLU B N 1 ATOM 2635 C CA . GLU B 2 50 ? 37.094 38.942 12.917 1.00 41.43 ? 50 GLU B CA 1 ATOM 2636 C C . GLU B 2 50 ? 37.528 38.751 11.466 1.00 38.42 ? 50 GLU B C 1 ATOM 2637 O O . GLU B 2 50 ? 38.125 37.735 11.111 1.00 37.69 ? 50 GLU B O 1 ATOM 2638 C CB . GLU B 2 50 ? 38.316 39.287 13.775 1.00 45.37 ? 50 GLU B CB 1 ATOM 2639 C CG . GLU B 2 50 ? 38.002 39.435 15.266 1.00 52.97 ? 50 GLU B CG 1 ATOM 2640 C CD . GLU B 2 50 ? 39.253 39.472 16.144 1.00 56.89 ? 50 GLU B CD 1 ATOM 2641 O OE1 . GLU B 2 50 ? 40.081 40.394 15.971 1.00 58.87 ? 50 GLU B OE1 1 ATOM 2642 O OE2 . GLU B 2 50 ? 39.406 38.575 17.008 1.00 57.73 ? 50 GLU B OE2 1 ATOM 2643 N N . MET B 2 51 ? 37.205 39.726 10.627 1.00 35.68 ? 51 MET B N 1 ATOM 2644 C CA . MET B 2 51 ? 37.590 39.681 9.227 1.00 34.12 ? 51 MET B CA 1 ATOM 2645 C C . MET B 2 51 ? 38.808 40.576 9.090 1.00 32.31 ? 51 MET B C 1 ATOM 2646 O O . MET B 2 51 ? 38.897 41.603 9.751 1.00 32.82 ? 51 MET B O 1 ATOM 2647 C CB . MET B 2 51 ? 36.466 40.212 8.338 1.00 34.79 ? 51 MET B CB 1 ATOM 2648 C CG . MET B 2 51 ? 35.205 39.366 8.343 1.00 36.56 ? 51 MET B CG 1 ATOM 2649 S SD . MET B 2 51 ? 35.478 37.658 7.809 1.00 39.19 ? 51 MET B SD 1 ATOM 2650 C CE . MET B 2 51 ? 35.408 37.834 6.026 1.00 39.30 ? 51 MET B CE 1 ATOM 2651 N N . SER B 2 52 ? 39.754 40.196 8.243 1.00 30.93 ? 52 SER B N 1 ATOM 2652 C CA . SER B 2 52 ? 40.940 41.022 8.077 1.00 30.60 ? 52 SER B CA 1 ATOM 2653 C C . SER B 2 52 ? 41.757 40.646 6.868 1.00 29.57 ? 52 SER B C 1 ATOM 2654 O O . SER B 2 52 ? 41.359 39.806 6.067 1.00 29.99 ? 52 SER B O 1 ATOM 2655 C CB . SER B 2 52 ? 41.835 40.918 9.308 1.00 31.69 ? 52 SER B CB 1 ATOM 2656 O OG . SER B 2 52 ? 42.407 39.624 9.408 1.00 31.40 ? 52 SER B OG 1 ATOM 2657 N N . ASP B 2 53 ? 42.908 41.295 6.750 1.00 29.24 ? 53 ASP B N 1 ATOM 2658 C CA . ASP B 2 53 ? 43.840 41.044 5.663 1.00 30.03 ? 53 ASP B CA 1 ATOM 2659 C C . ASP B 2 53 ? 43.228 41.016 4.266 1.00 29.75 ? 53 ASP B C 1 ATOM 2660 O O . ASP B 2 53 ? 43.541 40.138 3.455 1.00 30.19 ? 53 ASP B O 1 ATOM 2661 C CB . ASP B 2 53 ? 44.593 39.738 5.930 1.00 30.80 ? 53 ASP B CB 1 ATOM 2662 C CG . ASP B 2 53 ? 45.572 39.860 7.078 1.00 34.56 ? 53 ASP B CG 1 ATOM 2663 O OD1 . ASP B 2 53 ? 46.748 40.210 6.823 1.00 38.83 ? 53 ASP B OD1 1 ATOM 2664 O OD2 . ASP B 2 53 ? 45.167 39.622 8.238 1.00 35.19 ? 53 ASP B OD2 1 ATOM 2665 N N . MET B 2 54 ? 42.362 41.977 3.975 1.00 28.40 ? 54 MET B N 1 ATOM 2666 C CA . MET B 2 54 ? 41.766 42.034 2.654 1.00 28.24 ? 54 MET B CA 1 ATOM 2667 C C . MET B 2 54 ? 42.777 42.650 1.706 1.00 27.15 ? 54 MET B C 1 ATOM 2668 O O . MET B 2 54 ? 43.510 43.560 2.083 1.00 27.20 ? 54 MET B O 1 ATOM 2669 C CB . MET B 2 54 ? 40.514 42.906 2.643 1.00 30.49 ? 54 MET B CB 1 ATOM 2670 C CG . MET B 2 54 ? 39.905 43.014 1.261 1.00 33.29 ? 54 MET B CG 1 ATOM 2671 S SD . MET B 2 54 ? 38.647 44.289 1.102 1.00 44.43 ? 54 MET B SD 1 ATOM 2672 C CE . MET B 2 54 ? 39.590 45.622 0.214 1.00 39.96 ? 54 MET B CE 1 ATOM 2673 N N . SER B 2 55 ? 42.813 42.154 0.477 1.00 25.11 ? 55 SER B N 1 ATOM 2674 C CA . SER B 2 55 ? 43.716 42.687 -0.534 1.00 24.18 ? 55 SER B CA 1 ATOM 2675 C C . SER B 2 55 ? 43.441 41.942 -1.824 1.00 23.59 ? 55 SER B C 1 ATOM 2676 O O . SER B 2 55 ? 42.565 41.073 -1.859 1.00 23.24 ? 55 SER B O 1 ATOM 2677 C CB . SER B 2 55 ? 45.179 42.489 -0.119 1.00 22.97 ? 55 SER B CB 1 ATOM 2678 O OG . SER B 2 55 ? 45.515 41.115 -0.052 1.00 20.55 ? 55 SER B OG 1 ATOM 2679 N N . PHE B 2 56 ? 44.151 42.308 -2.887 1.00 22.00 ? 56 PHE B N 1 ATOM 2680 C CA . PHE B 2 56 ? 44.000 41.617 -4.157 1.00 23.09 ? 56 PHE B CA 1 ATOM 2681 C C . PHE B 2 56 ? 45.373 41.202 -4.662 1.00 24.28 ? 56 PHE B C 1 ATOM 2682 O O . PHE B 2 56 ? 46.384 41.772 -4.265 1.00 24.66 ? 56 PHE B O 1 ATOM 2683 C CB . PHE B 2 56 ? 43.347 42.480 -5.245 1.00 23.33 ? 56 PHE B CB 1 ATOM 2684 C CG . PHE B 2 56 ? 42.910 43.843 -4.803 1.00 21.50 ? 56 PHE B CG 1 ATOM 2685 C CD1 . PHE B 2 56 ? 41.831 44.007 -3.936 1.00 20.87 ? 56 PHE B CD1 1 ATOM 2686 C CD2 . PHE B 2 56 ? 43.505 44.973 -5.353 1.00 22.19 ? 56 PHE B CD2 1 ATOM 2687 C CE1 . PHE B 2 56 ? 41.351 45.278 -3.633 1.00 20.76 ? 56 PHE B CE1 1 ATOM 2688 C CE2 . PHE B 2 56 ? 43.033 46.253 -5.056 1.00 21.53 ? 56 PHE B CE2 1 ATOM 2689 C CZ . PHE B 2 56 ? 41.951 46.405 -4.196 1.00 21.07 ? 56 PHE B CZ 1 ATOM 2690 N N . SER B 2 57 ? 45.405 40.215 -5.547 1.00 25.32 ? 57 SER B N 1 ATOM 2691 C CA . SER B 2 57 ? 46.662 39.760 -6.108 1.00 28.32 ? 57 SER B CA 1 ATOM 2692 C C . SER B 2 57 ? 46.885 40.554 -7.384 1.00 30.29 ? 57 SER B C 1 ATOM 2693 O O . SER B 2 57 ? 46.131 41.483 -7.666 1.00 30.34 ? 57 SER B O 1 ATOM 2694 C CB . SER B 2 57 ? 46.581 38.276 -6.434 1.00 29.40 ? 57 SER B CB 1 ATOM 2695 O OG . SER B 2 57 ? 45.601 38.052 -7.426 1.00 32.72 ? 57 SER B OG 1 ATOM 2696 N N . LYS B 2 58 ? 47.910 40.183 -8.150 1.00 33.25 ? 58 LYS B N 1 ATOM 2697 C CA . LYS B 2 58 ? 48.240 40.850 -9.413 1.00 35.34 ? 58 LYS B CA 1 ATOM 2698 C C . LYS B 2 58 ? 47.076 40.788 -10.401 1.00 35.68 ? 58 LYS B C 1 ATOM 2699 O O . LYS B 2 58 ? 46.786 41.775 -11.075 1.00 37.02 ? 58 LYS B O 1 ATOM 2700 C CB . LYS B 2 58 ? 49.463 40.198 -10.064 1.00 38.49 ? 58 LYS B CB 1 ATOM 2701 C CG . LYS B 2 58 ? 50.679 40.098 -9.166 1.00 45.26 ? 58 LYS B CG 1 ATOM 2702 C CD . LYS B 2 58 ? 51.625 38.988 -9.639 1.00 50.94 ? 58 LYS B CD 1 ATOM 2703 C CE . LYS B 2 58 ? 52.706 38.683 -8.592 1.00 52.93 ? 58 LYS B CE 1 ATOM 2704 N NZ . LYS B 2 58 ? 53.609 37.567 -9.003 1.00 54.22 ? 58 LYS B NZ 1 ATOM 2705 N N . ASP B 2 59 ? 46.415 39.630 -10.491 1.00 34.95 ? 59 ASP B N 1 ATOM 2706 C CA . ASP B 2 59 ? 45.291 39.467 -11.410 1.00 33.62 ? 59 ASP B CA 1 ATOM 2707 C C . ASP B 2 59 ? 43.985 40.059 -10.873 1.00 32.05 ? 59 ASP B C 1 ATOM 2708 O O . ASP B 2 59 ? 42.903 39.798 -11.411 1.00 31.92 ? 59 ASP B O 1 ATOM 2709 C CB . ASP B 2 59 ? 45.095 37.982 -11.784 1.00 37.24 ? 59 ASP B CB 1 ATOM 2710 C CG . ASP B 2 59 ? 44.698 37.098 -10.594 1.00 40.78 ? 59 ASP B CG 1 ATOM 2711 O OD1 . ASP B 2 59 ? 43.785 37.482 -9.837 1.00 43.44 ? 59 ASP B OD1 1 ATOM 2712 O OD2 . ASP B 2 59 ? 45.284 36.001 -10.433 1.00 41.70 ? 59 ASP B OD2 1 ATOM 2713 N N . TRP B 2 60 ? 44.105 40.852 -9.809 1.00 28.80 ? 60 TRP B N 1 ATOM 2714 C CA . TRP B 2 60 ? 42.983 41.535 -9.156 1.00 25.79 ? 60 TRP B CA 1 ATOM 2715 C C . TRP B 2 60 ? 41.973 40.715 -8.365 1.00 25.31 ? 60 TRP B C 1 ATOM 2716 O O . TRP B 2 60 ? 41.014 41.283 -7.849 1.00 25.74 ? 60 TRP B O 1 ATOM 2717 C CB . TRP B 2 60 ? 42.217 42.386 -10.166 1.00 21.51 ? 60 TRP B CB 1 ATOM 2718 C CG . TRP B 2 60 ? 43.076 43.388 -10.846 1.00 19.25 ? 60 TRP B CG 1 ATOM 2719 C CD1 . TRP B 2 60 ? 43.555 43.322 -12.117 1.00 15.88 ? 60 TRP B CD1 1 ATOM 2720 C CD2 . TRP B 2 60 ? 43.550 44.623 -10.298 1.00 16.63 ? 60 TRP B CD2 1 ATOM 2721 N NE1 . TRP B 2 60 ? 44.293 44.442 -12.401 1.00 18.41 ? 60 TRP B NE1 1 ATOM 2722 C CE2 . TRP B 2 60 ? 44.308 45.261 -11.302 1.00 16.54 ? 60 TRP B CE2 1 ATOM 2723 C CE3 . TRP B 2 60 ? 43.407 45.254 -9.058 1.00 15.97 ? 60 TRP B CE3 1 ATOM 2724 C CZ2 . TRP B 2 60 ? 44.926 46.507 -11.110 1.00 17.10 ? 60 TRP B CZ2 1 ATOM 2725 C CZ3 . TRP B 2 60 ? 44.022 46.500 -8.862 1.00 19.20 ? 60 TRP B CZ3 1 ATOM 2726 C CH2 . TRP B 2 60 ? 44.770 47.110 -9.888 1.00 17.60 ? 60 TRP B CH2 1 ATOM 2727 N N . SER B 2 61 ? 42.167 39.401 -8.260 1.00 24.09 ? 61 SER B N 1 ATOM 2728 C CA . SER B 2 61 ? 41.228 38.576 -7.502 1.00 23.92 ? 61 SER B CA 1 ATOM 2729 C C . SER B 2 61 ? 41.347 38.895 -6.006 1.00 22.53 ? 61 SER B C 1 ATOM 2730 O O . SER B 2 61 ? 42.431 39.203 -5.513 1.00 22.12 ? 61 SER B O 1 ATOM 2731 C CB . SER B 2 61 ? 41.482 37.083 -7.764 1.00 24.33 ? 61 SER B CB 1 ATOM 2732 O OG . SER B 2 61 ? 42.743 36.678 -7.266 1.00 26.66 ? 61 SER B OG 1 ATOM 2733 N N . PHE B 2 62 ? 40.231 38.822 -5.289 1.00 21.48 ? 62 PHE B N 1 ATOM 2734 C CA . PHE B 2 62 ? 40.222 39.148 -3.867 1.00 22.17 ? 62 PHE B CA 1 ATOM 2735 C C . PHE B 2 62 ? 40.729 38.085 -2.881 1.00 23.31 ? 62 PHE B C 1 ATOM 2736 O O . PHE B 2 62 ? 40.615 36.878 -3.114 1.00 23.81 ? 62 PHE B O 1 ATOM 2737 C CB . PHE B 2 62 ? 38.809 39.599 -3.448 1.00 20.74 ? 62 PHE B CB 1 ATOM 2738 C CG . PHE B 2 62 ? 38.424 40.965 -3.962 1.00 21.09 ? 62 PHE B CG 1 ATOM 2739 C CD1 . PHE B 2 62 ? 38.080 41.159 -5.297 1.00 22.56 ? 62 PHE B CD1 1 ATOM 2740 C CD2 . PHE B 2 62 ? 38.427 42.067 -3.113 1.00 23.93 ? 62 PHE B CD2 1 ATOM 2741 C CE1 . PHE B 2 62 ? 37.743 42.434 -5.777 1.00 22.57 ? 62 PHE B CE1 1 ATOM 2742 C CE2 . PHE B 2 62 ? 38.090 43.351 -3.584 1.00 23.84 ? 62 PHE B CE2 1 ATOM 2743 C CZ . PHE B 2 62 ? 37.750 43.527 -4.918 1.00 22.64 ? 62 PHE B CZ 1 ATOM 2744 N N . TYR B 2 63 ? 41.286 38.571 -1.772 1.00 23.87 ? 63 TYR B N 1 ATOM 2745 C CA . TYR B 2 63 ? 41.806 37.753 -0.675 1.00 23.86 ? 63 TYR B CA 1 ATOM 2746 C C . TYR B 2 63 ? 41.238 38.312 0.625 1.00 22.85 ? 63 TYR B C 1 ATOM 2747 O O . TYR B 2 63 ? 41.219 39.523 0.818 1.00 23.52 ? 63 TYR B O 1 ATOM 2748 C CB . TYR B 2 63 ? 43.326 37.847 -0.594 1.00 25.88 ? 63 TYR B CB 1 ATOM 2749 C CG . TYR B 2 63 ? 44.058 37.068 -1.645 1.00 29.20 ? 63 TYR B CG 1 ATOM 2750 C CD1 . TYR B 2 63 ? 43.788 37.262 -2.997 1.00 31.94 ? 63 TYR B CD1 1 ATOM 2751 C CD2 . TYR B 2 63 ? 45.060 36.168 -1.292 1.00 29.75 ? 63 TYR B CD2 1 ATOM 2752 C CE1 . TYR B 2 63 ? 44.497 36.570 -3.979 1.00 34.74 ? 63 TYR B CE1 1 ATOM 2753 C CE2 . TYR B 2 63 ? 45.776 35.474 -2.260 1.00 34.01 ? 63 TYR B CE2 1 ATOM 2754 C CZ . TYR B 2 63 ? 45.495 35.684 -3.602 1.00 34.93 ? 63 TYR B CZ 1 ATOM 2755 O OH . TYR B 2 63 ? 46.213 35.018 -4.565 1.00 36.04 ? 63 TYR B OH 1 ATOM 2756 N N . ILE B 2 64 ? 40.798 37.443 1.524 1.00 21.95 ? 64 ILE B N 1 ATOM 2757 C CA . ILE B 2 64 ? 40.244 37.904 2.791 1.00 20.51 ? 64 ILE B CA 1 ATOM 2758 C C . ILE B 2 64 ? 40.425 36.846 3.877 1.00 21.28 ? 64 ILE B C 1 ATOM 2759 O O . ILE B 2 64 ? 40.291 35.646 3.621 1.00 20.56 ? 64 ILE B O 1 ATOM 2760 C CB . ILE B 2 64 ? 38.738 38.251 2.640 1.00 19.58 ? 64 ILE B CB 1 ATOM 2761 C CG1 . ILE B 2 64 ? 38.200 38.880 3.929 1.00 19.00 ? 64 ILE B CG1 1 ATOM 2762 C CG2 . ILE B 2 64 ? 37.945 36.998 2.323 1.00 18.02 ? 64 ILE B CG2 1 ATOM 2763 C CD1 . ILE B 2 64 ? 38.933 40.123 4.376 1.00 16.69 ? 64 ILE B CD1 1 ATOM 2764 N N . LEU B 2 65 ? 40.723 37.297 5.091 1.00 21.31 ? 65 LEU B N 1 ATOM 2765 C CA . LEU B 2 65 ? 40.936 36.385 6.207 1.00 21.18 ? 65 LEU B CA 1 ATOM 2766 C C . LEU B 2 65 ? 39.902 36.473 7.319 1.00 22.33 ? 65 LEU B C 1 ATOM 2767 O O . LEU B 2 65 ? 39.591 37.547 7.829 1.00 22.90 ? 65 LEU B O 1 ATOM 2768 C CB . LEU B 2 65 ? 42.318 36.600 6.819 1.00 19.14 ? 65 LEU B CB 1 ATOM 2769 C CG . LEU B 2 65 ? 42.687 35.621 7.943 1.00 21.64 ? 65 LEU B CG 1 ATOM 2770 C CD1 . LEU B 2 65 ? 42.732 34.181 7.413 1.00 19.86 ? 65 LEU B CD1 1 ATOM 2771 C CD2 . LEU B 2 65 ? 44.044 36.012 8.524 1.00 22.92 ? 65 LEU B CD2 1 ATOM 2772 N N . ALA B 2 66 ? 39.371 35.320 7.693 1.00 23.76 ? 66 ALA B N 1 ATOM 2773 C CA . ALA B 2 66 ? 38.407 35.249 8.770 1.00 23.14 ? 66 ALA B CA 1 ATOM 2774 C C . ALA B 2 66 ? 39.116 34.413 9.809 1.00 22.45 ? 66 ALA B C 1 ATOM 2775 O O . ALA B 2 66 ? 39.680 33.373 9.484 1.00 22.57 ? 66 ALA B O 1 ATOM 2776 C CB . ALA B 2 66 ? 37.148 34.563 8.305 1.00 24.44 ? 66 ALA B CB 1 ATOM 2777 N N . HIS B 2 67 ? 39.115 34.880 11.050 1.00 21.02 ? 67 HIS B N 1 ATOM 2778 C CA . HIS B 2 67 ? 39.776 34.151 12.119 1.00 20.62 ? 67 HIS B CA 1 ATOM 2779 C C . HIS B 2 67 ? 39.105 34.437 13.452 1.00 22.35 ? 67 HIS B C 1 ATOM 2780 O O . HIS B 2 67 ? 38.434 35.456 13.628 1.00 21.29 ? 67 HIS B O 1 ATOM 2781 C CB . HIS B 2 67 ? 41.244 34.543 12.179 1.00 17.94 ? 67 HIS B CB 1 ATOM 2782 C CG . HIS B 2 67 ? 41.462 35.992 12.469 1.00 20.02 ? 67 HIS B CG 1 ATOM 2783 N ND1 . HIS B 2 67 ? 41.716 36.468 13.737 1.00 19.36 ? 67 HIS B ND1 1 ATOM 2784 C CD2 . HIS B 2 67 ? 41.437 37.077 11.656 1.00 19.02 ? 67 HIS B CD2 1 ATOM 2785 C CE1 . HIS B 2 67 ? 41.840 37.783 13.694 1.00 19.99 ? 67 HIS B CE1 1 ATOM 2786 N NE2 . HIS B 2 67 ? 41.675 38.176 12.442 1.00 20.43 ? 67 HIS B NE2 1 ATOM 2787 N N . THR B 2 68 ? 39.298 33.526 14.393 1.00 24.41 ? 68 THR B N 1 ATOM 2788 C CA . THR B 2 68 ? 38.696 33.655 15.703 1.00 26.45 ? 68 THR B CA 1 ATOM 2789 C C . THR B 2 68 ? 39.537 32.895 16.715 1.00 28.90 ? 68 THR B C 1 ATOM 2790 O O . THR B 2 68 ? 40.320 32.009 16.352 1.00 27.95 ? 68 THR B O 1 ATOM 2791 C CB . THR B 2 68 ? 37.262 33.067 15.694 1.00 27.03 ? 68 THR B CB 1 ATOM 2792 O OG1 . THR B 2 68 ? 36.630 33.305 16.958 1.00 30.25 ? 68 THR B OG1 1 ATOM 2793 C CG2 . THR B 2 68 ? 37.301 31.563 15.430 1.00 26.09 ? 68 THR B CG2 1 ATOM 2794 N N . GLU B 2 69 ? 39.383 33.256 17.985 1.00 32.01 ? 69 GLU B N 1 ATOM 2795 C CA . GLU B 2 69 ? 40.103 32.580 19.052 1.00 34.72 ? 69 GLU B CA 1 ATOM 2796 C C . GLU B 2 69 ? 39.366 31.277 19.353 1.00 32.35 ? 69 GLU B C 1 ATOM 2797 O O . GLU B 2 69 ? 38.143 31.210 19.248 1.00 31.75 ? 69 GLU B O 1 ATOM 2798 C CB . GLU B 2 69 ? 40.153 33.453 20.316 1.00 39.10 ? 69 GLU B CB 1 ATOM 2799 C CG . GLU B 2 69 ? 41.090 34.659 20.236 1.00 46.34 ? 69 GLU B CG 1 ATOM 2800 C CD . GLU B 2 69 ? 41.279 35.359 21.588 1.00 50.60 ? 69 GLU B CD 1 ATOM 2801 O OE1 . GLU B 2 69 ? 41.713 34.694 22.557 1.00 52.14 ? 69 GLU B OE1 1 ATOM 2802 O OE2 . GLU B 2 69 ? 41.000 36.576 21.680 1.00 53.83 ? 69 GLU B OE2 1 ATOM 2803 N N . PHE B 2 70 ? 40.110 30.239 19.701 1.00 31.36 ? 70 PHE B N 1 ATOM 2804 C CA . PHE B 2 70 ? 39.498 28.964 20.028 1.00 32.55 ? 70 PHE B CA 1 ATOM 2805 C C . PHE B 2 70 ? 40.464 28.062 20.778 1.00 34.22 ? 70 PHE B C 1 ATOM 2806 O O . PHE B 2 70 ? 41.682 28.233 20.711 1.00 33.75 ? 70 PHE B O 1 ATOM 2807 C CB . PHE B 2 70 ? 39.004 28.252 18.758 1.00 31.86 ? 70 PHE B CB 1 ATOM 2808 C CG . PHE B 2 70 ? 40.049 27.406 18.068 1.00 32.91 ? 70 PHE B CG 1 ATOM 2809 C CD1 . PHE B 2 70 ? 41.163 27.989 17.463 1.00 31.14 ? 70 PHE B CD1 1 ATOM 2810 C CD2 . PHE B 2 70 ? 39.910 26.018 18.016 1.00 33.08 ? 70 PHE B CD2 1 ATOM 2811 C CE1 . PHE B 2 70 ? 42.125 27.202 16.816 1.00 32.02 ? 70 PHE B CE1 1 ATOM 2812 C CE2 . PHE B 2 70 ? 40.867 25.220 17.371 1.00 33.80 ? 70 PHE B CE2 1 ATOM 2813 C CZ . PHE B 2 70 ? 41.977 25.815 16.770 1.00 33.01 ? 70 PHE B CZ 1 ATOM 2814 N N . THR B 2 71 ? 39.906 27.106 21.506 1.00 36.13 ? 71 THR B N 1 ATOM 2815 C CA . THR B 2 71 ? 40.703 26.151 22.251 1.00 38.20 ? 71 THR B CA 1 ATOM 2816 C C . THR B 2 71 ? 40.266 24.751 21.821 1.00 39.27 ? 71 THR B C 1 ATOM 2817 O O . THR B 2 71 ? 39.138 24.336 22.076 1.00 39.39 ? 71 THR B O 1 ATOM 2818 C CB . THR B 2 71 ? 40.499 26.330 23.762 1.00 38.90 ? 71 THR B CB 1 ATOM 2819 O OG1 . THR B 2 71 ? 40.755 27.697 24.113 1.00 38.12 ? 71 THR B OG1 1 ATOM 2820 C CG2 . THR B 2 71 ? 41.454 25.423 24.538 1.00 38.57 ? 71 THR B CG2 1 ATOM 2821 N N . PRO B 2 72 ? 41.157 24.016 21.144 1.00 40.75 ? 72 PRO B N 1 ATOM 2822 C CA . PRO B 2 72 ? 40.914 22.659 20.649 1.00 42.85 ? 72 PRO B CA 1 ATOM 2823 C C . PRO B 2 72 ? 40.436 21.665 21.705 1.00 45.30 ? 72 PRO B C 1 ATOM 2824 O O . PRO B 2 72 ? 40.662 21.845 22.898 1.00 46.11 ? 72 PRO B O 1 ATOM 2825 C CB . PRO B 2 72 ? 42.269 22.257 20.072 1.00 42.40 ? 72 PRO B CB 1 ATOM 2826 C CG . PRO B 2 72 ? 42.841 23.557 19.629 1.00 42.11 ? 72 PRO B CG 1 ATOM 2827 C CD . PRO B 2 72 ? 42.511 24.465 20.778 1.00 41.55 ? 72 PRO B CD 1 ATOM 2828 N N . THR B 2 73 ? 39.784 20.608 21.240 1.00 47.87 ? 73 THR B N 1 ATOM 2829 C CA . THR B 2 73 ? 39.264 19.553 22.100 1.00 50.94 ? 73 THR B CA 1 ATOM 2830 C C . THR B 2 73 ? 39.225 18.302 21.234 1.00 53.45 ? 73 THR B C 1 ATOM 2831 O O . THR B 2 73 ? 39.214 18.404 20.008 1.00 55.54 ? 73 THR B O 1 ATOM 2832 C CB . THR B 2 73 ? 37.836 19.889 22.587 1.00 51.15 ? 73 THR B CB 1 ATOM 2833 O OG1 . THR B 2 73 ? 37.884 21.046 23.433 1.00 50.39 ? 73 THR B OG1 1 ATOM 2834 C CG2 . THR B 2 73 ? 37.234 18.721 23.361 1.00 51.49 ? 73 THR B CG2 1 ATOM 2835 N N . GLU B 2 74 ? 39.204 17.125 21.851 1.00 55.31 ? 74 GLU B N 1 ATOM 2836 C CA . GLU B 2 74 ? 39.175 15.893 21.074 1.00 56.71 ? 74 GLU B CA 1 ATOM 2837 C C . GLU B 2 74 ? 37.776 15.612 20.522 1.00 55.56 ? 74 GLU B C 1 ATOM 2838 O O . GLU B 2 74 ? 37.526 14.559 19.933 1.00 56.88 ? 74 GLU B O 1 ATOM 2839 C CB . GLU B 2 74 ? 39.641 14.713 21.929 1.00 59.85 ? 74 GLU B CB 1 ATOM 2840 C CG . GLU B 2 74 ? 38.626 14.260 22.964 1.00 66.97 ? 74 GLU B CG 1 ATOM 2841 C CD . GLU B 2 74 ? 39.093 13.044 23.750 1.00 70.36 ? 74 GLU B CD 1 ATOM 2842 O OE1 . GLU B 2 74 ? 39.482 12.033 23.122 1.00 71.14 ? 74 GLU B OE1 1 ATOM 2843 O OE2 . GLU B 2 74 ? 39.064 13.100 25.000 1.00 73.41 ? 74 GLU B OE2 1 ATOM 2844 N N . THR B 2 75 ? 36.858 16.550 20.710 1.00 53.75 ? 75 THR B N 1 ATOM 2845 C CA . THR B 2 75 ? 35.507 16.350 20.206 1.00 52.07 ? 75 THR B CA 1 ATOM 2846 C C . THR B 2 75 ? 35.116 17.404 19.179 1.00 49.73 ? 75 THR B C 1 ATOM 2847 O O . THR B 2 75 ? 34.615 17.068 18.108 1.00 50.44 ? 75 THR B O 1 ATOM 2848 C CB . THR B 2 75 ? 34.459 16.379 21.344 1.00 52.52 ? 75 THR B CB 1 ATOM 2849 O OG1 . THR B 2 75 ? 34.186 17.736 21.714 1.00 52.56 ? 75 THR B OG1 1 ATOM 2850 C CG2 . THR B 2 75 ? 34.971 15.614 22.555 1.00 52.47 ? 75 THR B CG2 1 ATOM 2851 N N . ASP B 2 76 ? 35.361 18.670 19.508 1.00 45.97 ? 76 ASP B N 1 ATOM 2852 C CA . ASP B 2 76 ? 35.008 19.792 18.643 1.00 41.90 ? 76 ASP B CA 1 ATOM 2853 C C . ASP B 2 76 ? 35.562 19.770 17.226 1.00 38.32 ? 76 ASP B C 1 ATOM 2854 O O . ASP B 2 76 ? 36.726 19.462 16.997 1.00 38.58 ? 76 ASP B O 1 ATOM 2855 C CB . ASP B 2 76 ? 35.413 21.099 19.310 1.00 43.81 ? 76 ASP B CB 1 ATOM 2856 C CG . ASP B 2 76 ? 34.797 21.258 20.678 1.00 46.38 ? 76 ASP B CG 1 ATOM 2857 O OD1 . ASP B 2 76 ? 33.549 21.258 20.773 1.00 47.43 ? 76 ASP B OD1 1 ATOM 2858 O OD2 . ASP B 2 76 ? 35.561 21.377 21.659 1.00 47.51 ? 76 ASP B OD2 1 ATOM 2859 N N . THR B 2 77 ? 34.701 20.104 16.275 1.00 34.71 ? 77 THR B N 1 ATOM 2860 C CA . THR B 2 77 ? 35.077 20.156 14.874 1.00 32.07 ? 77 THR B CA 1 ATOM 2861 C C . THR B 2 77 ? 34.726 21.554 14.382 1.00 30.43 ? 77 THR B C 1 ATOM 2862 O O . THR B 2 77 ? 33.719 22.133 14.789 1.00 30.77 ? 77 THR B O 1 ATOM 2863 C CB . THR B 2 77 ? 34.309 19.117 14.046 1.00 31.51 ? 77 THR B CB 1 ATOM 2864 O OG1 . THR B 2 77 ? 32.900 19.345 14.175 1.00 31.54 ? 77 THR B OG1 1 ATOM 2865 C CG2 . THR B 2 77 ? 34.638 17.722 14.523 1.00 32.69 ? 77 THR B CG2 1 ATOM 2866 N N . TYR B 2 78 ? 35.563 22.099 13.510 1.00 28.58 ? 78 TYR B N 1 ATOM 2867 C CA . TYR B 2 78 ? 35.336 23.436 12.990 1.00 26.89 ? 78 TYR B CA 1 ATOM 2868 C C . TYR B 2 78 ? 35.310 23.423 11.490 1.00 26.51 ? 78 TYR B C 1 ATOM 2869 O O . TYR B 2 78 ? 35.970 22.610 10.850 1.00 27.69 ? 78 TYR B O 1 ATOM 2870 C CB . TYR B 2 78 ? 36.428 24.389 13.466 1.00 24.68 ? 78 TYR B CB 1 ATOM 2871 C CG . TYR B 2 78 ? 36.477 24.541 14.968 1.00 23.85 ? 78 TYR B CG 1 ATOM 2872 C CD1 . TYR B 2 78 ? 37.053 23.553 15.777 1.00 20.64 ? 78 TYR B CD1 1 ATOM 2873 C CD2 . TYR B 2 78 ? 35.921 25.664 15.587 1.00 22.29 ? 78 TYR B CD2 1 ATOM 2874 C CE1 . TYR B 2 78 ? 37.069 23.682 17.163 1.00 21.04 ? 78 TYR B CE1 1 ATOM 2875 C CE2 . TYR B 2 78 ? 35.932 25.801 16.973 1.00 21.56 ? 78 TYR B CE2 1 ATOM 2876 C CZ . TYR B 2 78 ? 36.506 24.811 17.752 1.00 21.70 ? 78 TYR B CZ 1 ATOM 2877 O OH . TYR B 2 78 ? 36.508 24.955 19.118 1.00 24.38 ? 78 TYR B OH 1 ATOM 2878 N N . ALA B 2 79 ? 34.541 24.335 10.924 1.00 26.99 ? 79 ALA B N 1 ATOM 2879 C CA . ALA B 2 79 ? 34.435 24.412 9.483 1.00 27.87 ? 79 ALA B CA 1 ATOM 2880 C C . ALA B 2 79 ? 34.258 25.856 9.052 1.00 28.20 ? 79 ALA B C 1 ATOM 2881 O O . ALA B 2 79 ? 33.967 26.732 9.859 1.00 26.83 ? 79 ALA B O 1 ATOM 2882 C CB . ALA B 2 79 ? 33.260 23.570 9.003 1.00 25.86 ? 79 ALA B CB 1 ATOM 2883 N N . CYS B 2 80 ? 34.448 26.086 7.765 1.00 30.22 ? 80 CYS B N 1 ATOM 2884 C CA . CYS B 2 80 ? 34.308 27.403 7.195 1.00 31.86 ? 80 CYS B CA 1 ATOM 2885 C C . CYS B 2 80 ? 33.327 27.282 6.043 1.00 32.81 ? 80 CYS B C 1 ATOM 2886 O O . CYS B 2 80 ? 33.593 26.564 5.084 1.00 33.46 ? 80 CYS B O 1 ATOM 2887 C CB . CYS B 2 80 ? 35.655 27.885 6.668 1.00 31.93 ? 80 CYS B CB 1 ATOM 2888 S SG . CYS B 2 80 ? 35.634 29.647 6.224 1.00 34.59 ? 80 CYS B SG 1 ATOM 2889 N N . ARG B 2 81 ? 32.195 27.971 6.131 1.00 33.70 ? 81 ARG B N 1 ATOM 2890 C CA . ARG B 2 81 ? 31.207 27.903 5.062 1.00 34.50 ? 81 ARG B CA 1 ATOM 2891 C C . ARG B 2 81 ? 31.223 29.194 4.252 1.00 33.45 ? 81 ARG B C 1 ATOM 2892 O O . ARG B 2 81 ? 31.120 30.292 4.811 1.00 32.64 ? 81 ARG B O 1 ATOM 2893 C CB . ARG B 2 81 ? 29.817 27.656 5.644 1.00 36.72 ? 81 ARG B CB 1 ATOM 2894 C CG . ARG B 2 81 ? 28.838 27.098 4.646 1.00 41.28 ? 81 ARG B CG 1 ATOM 2895 C CD . ARG B 2 81 ? 27.547 26.665 5.315 1.00 47.89 ? 81 ARG B CD 1 ATOM 2896 N NE . ARG B 2 81 ? 26.537 27.718 5.305 1.00 53.52 ? 81 ARG B NE 1 ATOM 2897 C CZ . ARG B 2 81 ? 25.294 27.547 4.860 1.00 56.93 ? 81 ARG B CZ 1 ATOM 2898 N NH1 . ARG B 2 81 ? 24.908 26.361 4.391 1.00 57.72 ? 81 ARG B NH1 1 ATOM 2899 N NH2 . ARG B 2 81 ? 24.438 28.562 4.874 1.00 58.46 ? 81 ARG B NH2 1 ATOM 2900 N N . VAL B 2 82 ? 31.350 29.054 2.935 1.00 32.22 ? 82 VAL B N 1 ATOM 2901 C CA . VAL B 2 82 ? 31.402 30.203 2.039 1.00 33.53 ? 82 VAL B CA 1 ATOM 2902 C C . VAL B 2 82 ? 30.348 30.221 0.938 1.00 36.65 ? 82 VAL B C 1 ATOM 2903 O O . VAL B 2 82 ? 30.100 29.213 0.282 1.00 37.85 ? 82 VAL B O 1 ATOM 2904 C CB . VAL B 2 82 ? 32.783 30.307 1.352 1.00 31.54 ? 82 VAL B CB 1 ATOM 2905 C CG1 . VAL B 2 82 ? 32.776 31.418 0.306 1.00 27.75 ? 82 VAL B CG1 1 ATOM 2906 C CG2 . VAL B 2 82 ? 33.852 30.572 2.393 1.00 31.94 ? 82 VAL B CG2 1 ATOM 2907 N N . LYS B 2 83 ? 29.741 31.386 0.736 1.00 39.53 ? 83 LYS B N 1 ATOM 2908 C CA . LYS B 2 83 ? 28.745 31.572 -0.310 1.00 42.33 ? 83 LYS B CA 1 ATOM 2909 C C . LYS B 2 83 ? 29.303 32.600 -1.290 1.00 42.68 ? 83 LYS B C 1 ATOM 2910 O O . LYS B 2 83 ? 29.704 33.693 -0.889 1.00 42.22 ? 83 LYS B O 1 ATOM 2911 C CB . LYS B 2 83 ? 27.425 32.073 0.283 1.00 45.29 ? 83 LYS B CB 1 ATOM 2912 C CG . LYS B 2 83 ? 26.715 31.050 1.164 1.00 50.52 ? 83 LYS B CG 1 ATOM 2913 C CD . LYS B 2 83 ? 25.428 31.613 1.753 1.00 54.41 ? 83 LYS B CD 1 ATOM 2914 C CE . LYS B 2 83 ? 24.662 30.567 2.555 1.00 56.71 ? 83 LYS B CE 1 ATOM 2915 N NZ . LYS B 2 83 ? 23.361 31.097 3.072 1.00 58.98 ? 83 LYS B NZ 1 ATOM 2916 N N . HIS B 2 84 ? 29.339 32.244 -2.569 1.00 43.39 ? 84 HIS B N 1 ATOM 2917 C CA . HIS B 2 84 ? 29.859 33.139 -3.595 1.00 45.09 ? 84 HIS B CA 1 ATOM 2918 C C . HIS B 2 84 ? 29.188 32.845 -4.940 1.00 47.38 ? 84 HIS B C 1 ATOM 2919 O O . HIS B 2 84 ? 28.969 31.686 -5.288 1.00 46.35 ? 84 HIS B O 1 ATOM 2920 C CB . HIS B 2 84 ? 31.383 32.967 -3.694 1.00 43.14 ? 84 HIS B CB 1 ATOM 2921 C CG . HIS B 2 84 ? 32.054 33.932 -4.624 1.00 41.43 ? 84 HIS B CG 1 ATOM 2922 N ND1 . HIS B 2 84 ? 32.391 33.608 -5.922 1.00 41.62 ? 84 HIS B ND1 1 ATOM 2923 C CD2 . HIS B 2 84 ? 32.471 35.207 -4.439 1.00 39.71 ? 84 HIS B CD2 1 ATOM 2924 C CE1 . HIS B 2 84 ? 32.988 34.639 -6.493 1.00 39.70 ? 84 HIS B CE1 1 ATOM 2925 N NE2 . HIS B 2 84 ? 33.049 35.622 -5.613 1.00 39.42 ? 84 HIS B NE2 1 ATOM 2926 N N . ASP B 2 85 ? 28.865 33.902 -5.683 1.00 50.09 ? 85 ASP B N 1 ATOM 2927 C CA . ASP B 2 85 ? 28.209 33.786 -6.991 1.00 53.11 ? 85 ASP B CA 1 ATOM 2928 C C . ASP B 2 85 ? 28.772 32.724 -7.942 1.00 53.34 ? 85 ASP B C 1 ATOM 2929 O O . ASP B 2 85 ? 28.062 32.247 -8.822 1.00 53.22 ? 85 ASP B O 1 ATOM 2930 C CB . ASP B 2 85 ? 28.220 35.145 -7.707 1.00 55.96 ? 85 ASP B CB 1 ATOM 2931 C CG . ASP B 2 85 ? 27.123 36.084 -7.211 1.00 59.15 ? 85 ASP B CG 1 ATOM 2932 O OD1 . ASP B 2 85 ? 27.232 37.309 -7.457 1.00 60.17 ? 85 ASP B OD1 1 ATOM 2933 O OD2 . ASP B 2 85 ? 26.151 35.597 -6.588 1.00 59.97 ? 85 ASP B OD2 1 ATOM 2934 N N . SER B 2 86 ? 30.037 32.354 -7.776 1.00 53.76 ? 86 SER B N 1 ATOM 2935 C CA . SER B 2 86 ? 30.642 31.358 -8.659 1.00 53.67 ? 86 SER B CA 1 ATOM 2936 C C . SER B 2 86 ? 30.347 29.939 -8.203 1.00 53.43 ? 86 SER B C 1 ATOM 2937 O O . SER B 2 86 ? 30.879 28.981 -8.755 1.00 51.97 ? 86 SER B O 1 ATOM 2938 C CB . SER B 2 86 ? 32.153 31.547 -8.719 1.00 52.87 ? 86 SER B CB 1 ATOM 2939 O OG . SER B 2 86 ? 32.734 31.249 -7.465 1.00 53.51 ? 86 SER B OG 1 ATOM 2940 N N . MET B 2 87 ? 29.497 29.807 -7.195 1.00 54.88 ? 87 MET B N 1 ATOM 2941 C CA . MET B 2 87 ? 29.158 28.496 -6.672 1.00 56.62 ? 87 MET B CA 1 ATOM 2942 C C . MET B 2 87 ? 27.657 28.343 -6.477 1.00 57.64 ? 87 MET B C 1 ATOM 2943 O O . MET B 2 87 ? 26.987 29.233 -5.951 1.00 57.12 ? 87 MET B O 1 ATOM 2944 C CB . MET B 2 87 ? 29.882 28.266 -5.343 1.00 57.05 ? 87 MET B CB 1 ATOM 2945 C CG . MET B 2 87 ? 31.385 28.520 -5.412 1.00 58.99 ? 87 MET B CG 1 ATOM 2946 S SD . MET B 2 87 ? 32.253 28.206 -3.854 1.00 61.47 ? 87 MET B SD 1 ATOM 2947 C CE . MET B 2 87 ? 31.448 29.419 -2.772 1.00 59.09 ? 87 MET B CE 1 ATOM 2948 N N . ALA B 2 88 ? 27.131 27.207 -6.916 1.00 59.24 ? 88 ALA B N 1 ATOM 2949 C CA . ALA B 2 88 ? 25.712 26.934 -6.771 1.00 61.14 ? 88 ALA B CA 1 ATOM 2950 C C . ALA B 2 88 ? 25.421 26.719 -5.287 1.00 62.38 ? 88 ALA B C 1 ATOM 2951 O O . ALA B 2 88 ? 24.704 27.500 -4.657 1.00 62.27 ? 88 ALA B O 1 ATOM 2952 C CB . ALA B 2 88 ? 25.341 25.693 -7.570 1.00 61.44 ? 88 ALA B CB 1 ATOM 2953 N N . GLU B 2 89 ? 26.001 25.660 -4.733 1.00 62.63 ? 89 GLU B N 1 ATOM 2954 C CA . GLU B 2 89 ? 25.810 25.334 -3.328 1.00 63.09 ? 89 GLU B CA 1 ATOM 2955 C C . GLU B 2 89 ? 26.887 25.982 -2.464 1.00 59.84 ? 89 GLU B C 1 ATOM 2956 O O . GLU B 2 89 ? 28.028 26.137 -2.896 1.00 59.93 ? 89 GLU B O 1 ATOM 2957 C CB . GLU B 2 89 ? 25.858 23.814 -3.136 1.00 67.46 ? 89 GLU B CB 1 ATOM 2958 C CG . GLU B 2 89 ? 24.747 23.053 -3.843 1.00 73.36 ? 89 GLU B CG 1 ATOM 2959 C CD . GLU B 2 89 ? 23.367 23.413 -3.310 1.00 77.67 ? 89 GLU B CD 1 ATOM 2960 O OE1 . GLU B 2 89 ? 23.152 23.281 -2.083 1.00 80.37 ? 89 GLU B OE1 1 ATOM 2961 O OE2 . GLU B 2 89 ? 22.498 23.824 -4.116 1.00 79.03 ? 89 GLU B OE2 1 ATOM 2962 N N . PRO B 2 90 ? 26.533 26.385 -1.233 1.00 56.38 ? 90 PRO B N 1 ATOM 2963 C CA . PRO B 2 90 ? 27.534 27.001 -0.361 1.00 53.17 ? 90 PRO B CA 1 ATOM 2964 C C . PRO B 2 90 ? 28.591 25.935 -0.116 1.00 51.16 ? 90 PRO B C 1 ATOM 2965 O O . PRO B 2 90 ? 28.260 24.751 -0.009 1.00 50.86 ? 90 PRO B O 1 ATOM 2966 C CB . PRO B 2 90 ? 26.746 27.311 0.909 1.00 53.39 ? 90 PRO B CB 1 ATOM 2967 C CG . PRO B 2 90 ? 25.359 27.521 0.408 1.00 55.37 ? 90 PRO B CG 1 ATOM 2968 C CD . PRO B 2 90 ? 25.201 26.416 -0.607 1.00 56.20 ? 90 PRO B CD 1 ATOM 2969 N N . LYS B 2 91 ? 29.857 26.330 -0.041 1.00 47.92 ? 91 LYS B N 1 ATOM 2970 C CA . LYS B 2 91 ? 30.899 25.347 0.198 1.00 44.98 ? 91 LYS B CA 1 ATOM 2971 C C . LYS B 2 91 ? 31.415 25.387 1.632 1.00 43.19 ? 91 LYS B C 1 ATOM 2972 O O . LYS B 2 91 ? 31.636 26.455 2.202 1.00 44.53 ? 91 LYS B O 1 ATOM 2973 C CB . LYS B 2 91 ? 32.053 25.532 -0.784 1.00 45.27 ? 91 LYS B CB 1 ATOM 2974 C CG . LYS B 2 91 ? 33.161 24.516 -0.576 1.00 48.20 ? 91 LYS B CG 1 ATOM 2975 C CD . LYS B 2 91 ? 33.991 24.306 -1.831 1.00 50.74 ? 91 LYS B CD 1 ATOM 2976 C CE . LYS B 2 91 ? 35.089 23.285 -1.581 1.00 52.10 ? 91 LYS B CE 1 ATOM 2977 N NZ . LYS B 2 91 ? 34.550 22.067 -0.903 1.00 54.25 ? 91 LYS B NZ 1 ATOM 2978 N N . THR B 2 92 ? 31.590 24.207 2.214 1.00 39.93 ? 92 THR B N 1 ATOM 2979 C CA . THR B 2 92 ? 32.073 24.082 3.579 1.00 36.70 ? 92 THR B CA 1 ATOM 2980 C C . THR B 2 92 ? 33.396 23.327 3.599 1.00 34.61 ? 92 THR B C 1 ATOM 2981 O O . THR B 2 92 ? 33.518 22.254 3.018 1.00 34.57 ? 92 THR B O 1 ATOM 2982 C CB . THR B 2 92 ? 31.065 23.310 4.449 1.00 37.06 ? 92 THR B CB 1 ATOM 2983 O OG1 . THR B 2 92 ? 29.790 23.958 4.391 1.00 39.40 ? 92 THR B OG1 1 ATOM 2984 C CG2 . THR B 2 92 ? 31.528 23.259 5.891 1.00 36.84 ? 92 THR B CG2 1 ATOM 2985 N N . VAL B 2 93 ? 34.392 23.899 4.255 1.00 31.80 ? 93 VAL B N 1 ATOM 2986 C CA . VAL B 2 93 ? 35.682 23.248 4.360 1.00 30.30 ? 93 VAL B CA 1 ATOM 2987 C C . VAL B 2 93 ? 35.919 22.994 5.838 1.00 30.83 ? 93 VAL B C 1 ATOM 2988 O O . VAL B 2 93 ? 35.851 23.917 6.646 1.00 30.58 ? 93 VAL B O 1 ATOM 2989 C CB . VAL B 2 93 ? 36.813 24.135 3.803 1.00 29.46 ? 93 VAL B CB 1 ATOM 2990 C CG1 . VAL B 2 93 ? 38.157 23.455 4.008 1.00 28.59 ? 93 VAL B CG1 1 ATOM 2991 C CG2 . VAL B 2 93 ? 36.583 24.402 2.329 1.00 28.50 ? 93 VAL B CG2 1 ATOM 2992 N N . TYR B 2 94 ? 36.181 21.741 6.196 1.00 31.37 ? 94 TYR B N 1 ATOM 2993 C CA . TYR B 2 94 ? 36.417 21.397 7.591 1.00 32.22 ? 94 TYR B CA 1 ATOM 2994 C C . TYR B 2 94 ? 37.872 21.461 7.971 1.00 31.79 ? 94 TYR B C 1 ATOM 2995 O O . TYR B 2 94 ? 38.740 21.144 7.173 1.00 33.50 ? 94 TYR B O 1 ATOM 2996 C CB . TYR B 2 94 ? 35.876 20.004 7.913 1.00 31.49 ? 94 TYR B CB 1 ATOM 2997 C CG . TYR B 2 94 ? 34.378 19.980 7.935 1.00 33.02 ? 94 TYR B CG 1 ATOM 2998 C CD1 . TYR B 2 94 ? 33.653 19.793 6.759 1.00 32.86 ? 94 TYR B CD1 1 ATOM 2999 C CD2 . TYR B 2 94 ? 33.680 20.234 9.115 1.00 31.86 ? 94 TYR B CD2 1 ATOM 3000 C CE1 . TYR B 2 94 ? 32.271 19.861 6.755 1.00 33.89 ? 94 TYR B CE1 1 ATOM 3001 C CE2 . TYR B 2 94 ? 32.299 20.310 9.123 1.00 33.12 ? 94 TYR B CE2 1 ATOM 3002 C CZ . TYR B 2 94 ? 31.598 20.121 7.939 1.00 35.13 ? 94 TYR B CZ 1 ATOM 3003 O OH . TYR B 2 94 ? 30.221 20.186 7.933 1.00 38.71 ? 94 TYR B OH 1 ATOM 3004 N N . TRP B 2 95 ? 38.132 21.882 9.201 1.00 31.61 ? 95 TRP B N 1 ATOM 3005 C CA . TRP B 2 95 ? 39.493 21.964 9.690 1.00 31.10 ? 95 TRP B CA 1 ATOM 3006 C C . TRP B 2 95 ? 40.064 20.563 9.865 1.00 34.36 ? 95 TRP B C 1 ATOM 3007 O O . TRP B 2 95 ? 39.480 19.713 10.547 1.00 35.26 ? 95 TRP B O 1 ATOM 3008 C CB . TRP B 2 95 ? 39.527 22.706 11.021 1.00 26.31 ? 95 TRP B CB 1 ATOM 3009 C CG . TRP B 2 95 ? 40.889 22.767 11.661 1.00 23.15 ? 95 TRP B CG 1 ATOM 3010 C CD1 . TRP B 2 95 ? 42.067 23.104 11.056 1.00 21.91 ? 95 TRP B CD1 1 ATOM 3011 C CD2 . TRP B 2 95 ? 41.195 22.558 13.045 1.00 19.29 ? 95 TRP B CD2 1 ATOM 3012 N NE1 . TRP B 2 95 ? 43.087 23.121 11.977 1.00 21.06 ? 95 TRP B NE1 1 ATOM 3013 C CE2 . TRP B 2 95 ? 42.579 22.790 13.208 1.00 20.56 ? 95 TRP B CE2 1 ATOM 3014 C CE3 . TRP B 2 95 ? 40.434 22.195 14.163 1.00 16.93 ? 95 TRP B CE3 1 ATOM 3015 C CZ2 . TRP B 2 95 ? 43.220 22.677 14.447 1.00 20.35 ? 95 TRP B CZ2 1 ATOM 3016 C CZ3 . TRP B 2 95 ? 41.068 22.080 15.396 1.00 19.79 ? 95 TRP B CZ3 1 ATOM 3017 C CH2 . TRP B 2 95 ? 42.450 22.319 15.527 1.00 21.75 ? 95 TRP B CH2 1 ATOM 3018 N N . ASP B 2 96 ? 41.199 20.327 9.223 1.00 36.85 ? 96 ASP B N 1 ATOM 3019 C CA . ASP B 2 96 ? 41.892 19.053 9.311 1.00 40.16 ? 96 ASP B CA 1 ATOM 3020 C C . ASP B 2 96 ? 43.081 19.296 10.240 1.00 41.13 ? 96 ASP B C 1 ATOM 3021 O O . ASP B 2 96 ? 44.090 19.866 9.828 1.00 41.34 ? 96 ASP B O 1 ATOM 3022 C CB . ASP B 2 96 ? 42.389 18.633 7.927 1.00 41.94 ? 96 ASP B CB 1 ATOM 3023 C CG . ASP B 2 96 ? 43.162 17.328 7.950 1.00 43.93 ? 96 ASP B CG 1 ATOM 3024 O OD1 . ASP B 2 96 ? 43.635 16.927 9.035 1.00 45.30 ? 96 ASP B OD1 1 ATOM 3025 O OD2 . ASP B 2 96 ? 43.306 16.710 6.873 1.00 45.55 ? 96 ASP B OD2 1 ATOM 3026 N N . ARG B 2 97 ? 42.966 18.874 11.493 1.00 42.67 ? 97 ARG B N 1 ATOM 3027 C CA . ARG B 2 97 ? 44.053 19.090 12.433 1.00 44.66 ? 97 ARG B CA 1 ATOM 3028 C C . ARG B 2 97 ? 45.223 18.148 12.209 1.00 45.37 ? 97 ARG B C 1 ATOM 3029 O O . ARG B 2 97 ? 46.256 18.286 12.856 1.00 45.28 ? 97 ARG B O 1 ATOM 3030 C CB . ARG B 2 97 ? 43.564 18.949 13.875 1.00 46.10 ? 97 ARG B CB 1 ATOM 3031 C CG . ARG B 2 97 ? 43.227 17.532 14.299 1.00 47.55 ? 97 ARG B CG 1 ATOM 3032 C CD . ARG B 2 97 ? 43.396 17.375 15.803 1.00 47.19 ? 97 ARG B CD 1 ATOM 3033 N NE . ARG B 2 97 ? 42.385 18.095 16.568 1.00 46.09 ? 97 ARG B NE 1 ATOM 3034 C CZ . ARG B 2 97 ? 42.531 18.449 17.842 1.00 46.03 ? 97 ARG B CZ 1 ATOM 3035 N NH1 . ARG B 2 97 ? 43.650 18.157 18.491 1.00 46.02 ? 97 ARG B NH1 1 ATOM 3036 N NH2 . ARG B 2 97 ? 41.554 19.085 18.473 1.00 46.08 ? 97 ARG B NH2 1 ATOM 3037 N N . ASP B 2 98 ? 45.073 17.196 11.292 1.00 46.78 ? 98 ASP B N 1 ATOM 3038 C CA . ASP B 2 98 ? 46.150 16.249 11.020 1.00 48.82 ? 98 ASP B CA 1 ATOM 3039 C C . ASP B 2 98 ? 46.945 16.529 9.750 1.00 50.46 ? 98 ASP B C 1 ATOM 3040 O O . ASP B 2 98 ? 47.848 15.771 9.394 1.00 50.60 ? 98 ASP B O 1 ATOM 3041 C CB . ASP B 2 98 ? 45.604 14.825 10.970 1.00 50.26 ? 98 ASP B CB 1 ATOM 3042 C CG . ASP B 2 98 ? 45.245 14.298 12.340 1.00 52.62 ? 98 ASP B CG 1 ATOM 3043 O OD1 . ASP B 2 98 ? 46.020 14.544 13.285 1.00 53.75 ? 98 ASP B OD1 1 ATOM 3044 O OD2 . ASP B 2 98 ? 44.199 13.632 12.477 1.00 55.32 ? 98 ASP B OD2 1 ATOM 3045 N N . MET B 2 99 ? 46.614 17.623 9.077 1.00 51.92 ? 99 MET B N 1 ATOM 3046 C CA . MET B 2 99 ? 47.291 18.015 7.848 1.00 53.20 ? 99 MET B CA 1 ATOM 3047 C C . MET B 2 99 ? 48.787 18.252 8.119 1.00 53.42 ? 99 MET B C 1 ATOM 3048 O O . MET B 2 99 ? 49.628 17.953 7.240 1.00 53.31 ? 99 MET B O 1 ATOM 3049 C CB . MET B 2 99 ? 46.631 19.282 7.295 1.00 54.95 ? 99 MET B CB 1 ATOM 3050 C CG . MET B 2 99 ? 46.873 19.530 5.818 1.00 57.59 ? 99 MET B CG 1 ATOM 3051 S SD . MET B 2 99 ? 45.978 20.977 5.225 1.00 61.87 ? 99 MET B SD 1 ATOM 3052 C CE . MET B 2 99 ? 44.304 20.312 5.048 1.00 58.68 ? 99 MET B CE 1 ATOM 3053 O OXT . MET B 2 99 ? 49.106 18.746 9.219 1.00 53.47 ? 99 MET B OXT 1 ATOM 3054 N N . SER C 3 1 ? 48.892 58.090 4.690 1.00 23.17 ? 1 SER P N 1 ATOM 3055 C CA . SER C 3 1 ? 47.518 58.503 4.277 1.00 25.67 ? 1 SER P CA 1 ATOM 3056 C C . SER C 3 1 ? 47.361 58.427 2.766 1.00 24.41 ? 1 SER P C 1 ATOM 3057 O O . SER C 3 1 ? 48.209 58.918 2.020 1.00 22.36 ? 1 SER P O 1 ATOM 3058 C CB . SER C 3 1 ? 47.231 59.930 4.734 1.00 26.56 ? 1 SER P CB 1 ATOM 3059 O OG . SER C 3 1 ? 48.124 60.831 4.112 1.00 31.37 ? 1 SER P OG 1 ATOM 3060 N N . SER C 3 2 ? 46.265 57.818 2.323 1.00 24.33 ? 2 SER P N 1 ATOM 3061 C CA . SER C 3 2 ? 45.994 57.666 0.897 1.00 25.68 ? 2 SER P CA 1 ATOM 3062 C C . SER C 3 2 ? 45.756 59.020 0.231 1.00 25.04 ? 2 SER P C 1 ATOM 3063 O O . SER C 3 2 ? 45.361 59.984 0.888 1.00 24.02 ? 2 SER P O 1 ATOM 3064 C CB . SER C 3 2 ? 44.779 56.758 0.693 1.00 25.52 ? 2 SER P CB 1 ATOM 3065 O OG . SER C 3 2 ? 43.658 57.268 1.392 1.00 30.69 ? 2 SER P OG 1 ATOM 3066 N N . ILE C 3 3 ? 46.011 59.083 -1.074 1.00 25.07 ? 3 ILE P N 1 ATOM 3067 C CA . ILE C 3 3 ? 45.833 60.311 -1.848 1.00 27.43 ? 3 ILE P CA 1 ATOM 3068 C C . ILE C 3 3 ? 44.367 60.496 -2.210 1.00 28.26 ? 3 ILE P C 1 ATOM 3069 O O . ILE C 3 3 ? 43.614 59.525 -2.234 1.00 29.92 ? 3 ILE P O 1 ATOM 3070 C CB . ILE C 3 3 ? 46.624 60.247 -3.162 1.00 28.07 ? 3 ILE P CB 1 ATOM 3071 C CG1 . ILE C 3 3 ? 46.544 61.586 -3.889 1.00 28.19 ? 3 ILE P CG1 1 ATOM 3072 C CG2 . ILE C 3 3 ? 46.063 59.127 -4.054 1.00 27.18 ? 3 ILE P CG2 1 ATOM 3073 C CD1 . ILE C 3 3 ? 47.307 61.604 -5.197 1.00 28.46 ? 3 ILE P CD1 1 ATOM 3074 N N . GLU C 3 4 ? 43.956 61.733 -2.484 1.00 28.64 ? 4 GLU P N 1 ATOM 3075 C CA . GLU C 3 4 ? 42.575 61.994 -2.890 1.00 30.09 ? 4 GLU P CA 1 ATOM 3076 C C . GLU C 3 4 ? 42.507 61.557 -4.360 1.00 27.31 ? 4 GLU P C 1 ATOM 3077 O O . GLU C 3 4 ? 43.216 62.096 -5.217 1.00 25.47 ? 4 GLU P O 1 ATOM 3078 C CB . GLU C 3 4 ? 42.246 63.489 -2.753 1.00 34.97 ? 4 GLU P CB 1 ATOM 3079 C CG . GLU C 3 4 ? 40.799 63.852 -3.095 1.00 42.25 ? 4 GLU P CG 1 ATOM 3080 C CD . GLU C 3 4 ? 40.540 65.355 -3.008 1.00 47.68 ? 4 GLU P CD 1 ATOM 3081 O OE1 . GLU C 3 4 ? 41.386 66.139 -3.505 1.00 50.75 ? 4 GLU P OE1 1 ATOM 3082 O OE2 . GLU C 3 4 ? 39.489 65.754 -2.454 1.00 50.94 ? 4 GLU P OE2 1 ATOM 3083 N N . PHE C 3 5 ? 41.668 60.578 -4.663 1.00 26.11 ? 5 PHE P N 1 ATOM 3084 C CA . PHE C 3 5 ? 41.599 60.091 -6.036 1.00 27.42 ? 5 PHE P CA 1 ATOM 3085 C C . PHE C 3 5 ? 40.889 60.997 -7.038 1.00 28.19 ? 5 PHE P C 1 ATOM 3086 O O . PHE C 3 5 ? 39.922 61.680 -6.705 1.00 29.75 ? 5 PHE P O 1 ATOM 3087 C CB . PHE C 3 5 ? 40.978 58.693 -6.061 1.00 26.18 ? 5 PHE P CB 1 ATOM 3088 C CG . PHE C 3 5 ? 41.726 57.679 -5.231 1.00 24.65 ? 5 PHE P CG 1 ATOM 3089 C CD1 . PHE C 3 5 ? 41.474 57.546 -3.871 1.00 24.07 ? 5 PHE P CD1 1 ATOM 3090 C CD2 . PHE C 3 5 ? 42.696 56.863 -5.808 1.00 25.60 ? 5 PHE P CD2 1 ATOM 3091 C CE1 . PHE C 3 5 ? 42.169 56.601 -3.100 1.00 24.46 ? 5 PHE P CE1 1 ATOM 3092 C CE2 . PHE C 3 5 ? 43.396 55.916 -5.044 1.00 25.32 ? 5 PHE P CE2 1 ATOM 3093 C CZ . PHE C 3 5 ? 43.133 55.790 -3.689 1.00 24.07 ? 5 PHE P CZ 1 ATOM 3094 N N . ALA C 3 6 ? 41.393 60.991 -8.272 1.00 29.32 ? 6 ALA P N 1 ATOM 3095 C CA . ALA C 3 6 ? 40.846 61.794 -9.362 1.00 30.48 ? 6 ALA P CA 1 ATOM 3096 C C . ALA C 3 6 ? 39.775 61.020 -10.126 1.00 31.76 ? 6 ALA P C 1 ATOM 3097 O O . ALA C 3 6 ? 39.797 59.794 -10.160 1.00 31.68 ? 6 ALA P O 1 ATOM 3098 C CB . ALA C 3 6 ? 41.961 62.208 -10.311 1.00 27.98 ? 6 ALA P CB 1 ATOM 3099 N N . ARG C 3 7 ? 38.847 61.745 -10.746 1.00 34.06 ? 7 ARG P N 1 ATOM 3100 C CA . ARG C 3 7 ? 37.756 61.128 -11.501 1.00 35.33 ? 7 ARG P CA 1 ATOM 3101 C C . ARG C 3 7 ? 38.201 60.400 -12.762 1.00 35.48 ? 7 ARG P C 1 ATOM 3102 O O . ARG C 3 7 ? 39.153 60.808 -13.429 1.00 36.17 ? 7 ARG P O 1 ATOM 3103 C CB . ARG C 3 7 ? 36.717 62.189 -11.881 1.00 36.38 ? 7 ARG P CB 1 ATOM 3104 C CG . ARG C 3 7 ? 36.035 62.857 -10.695 1.00 39.23 ? 7 ARG P CG 1 ATOM 3105 C CD . ARG C 3 7 ? 35.130 61.894 -9.914 1.00 41.02 ? 7 ARG P CD 1 ATOM 3106 N NE . ARG C 3 7 ? 35.859 60.769 -9.324 1.00 43.08 ? 7 ARG P NE 1 ATOM 3107 C CZ . ARG C 3 7 ? 36.780 60.878 -8.365 1.00 44.04 ? 7 ARG P CZ 1 ATOM 3108 N NH1 . ARG C 3 7 ? 37.099 62.070 -7.871 1.00 43.27 ? 7 ARG P NH1 1 ATOM 3109 N NH2 . ARG C 3 7 ? 37.384 59.788 -7.899 1.00 43.38 ? 7 ARG P NH2 1 ATOM 3110 N N . LEU C 3 8 ? 37.503 59.318 -13.088 1.00 35.36 ? 8 LEU P N 1 ATOM 3111 C CA . LEU C 3 8 ? 37.818 58.557 -14.289 1.00 36.49 ? 8 LEU P CA 1 ATOM 3112 C C . LEU C 3 8 ? 37.082 59.163 -15.501 1.00 37.97 ? 8 LEU P C 1 ATOM 3113 O O . LEU C 3 8 ? 36.238 60.071 -15.303 1.00 38.80 ? 8 LEU P O 1 ATOM 3114 C CB . LEU C 3 8 ? 37.415 57.088 -14.102 1.00 34.90 ? 8 LEU P CB 1 ATOM 3115 C CG . LEU C 3 8 ? 38.050 56.317 -12.938 1.00 32.33 ? 8 LEU P CG 1 ATOM 3116 C CD1 . LEU C 3 8 ? 37.656 54.856 -13.025 1.00 29.62 ? 8 LEU P CD1 1 ATOM 3117 C CD2 . LEU C 3 8 ? 39.563 56.444 -12.990 1.00 33.42 ? 8 LEU P CD2 1 ATOM 3118 O OXT . LEU C 3 8 ? 37.353 58.729 -16.640 1.00 38.59 ? 8 LEU P OXT 1 HETATM 3119 C C1 . NDG D 4 . ? 24.815 49.262 -26.157 1.00 73.77 ? 801 NDG A C1 1 HETATM 3120 C C2 . NDG D 4 . ? 25.236 49.720 -27.571 1.00 76.79 ? 801 NDG A C2 1 HETATM 3121 C C3 . NDG D 4 . ? 24.025 50.260 -28.349 1.00 77.52 ? 801 NDG A C3 1 HETATM 3122 C C4 . NDG D 4 . ? 22.780 49.400 -28.061 1.00 78.32 ? 801 NDG A C4 1 HETATM 3123 C C5 . NDG D 4 . ? 22.436 49.409 -26.558 1.00 78.17 ? 801 NDG A C5 1 HETATM 3124 C C6 . NDG D 4 . ? 21.998 48.055 -26.011 1.00 77.96 ? 801 NDG A C6 1 HETATM 3125 C C7 . NDG D 4 . ? 26.184 51.920 -28.043 1.00 81.24 ? 801 NDG A C7 1 HETATM 3126 C C8 . NDG D 4 . ? 27.227 52.353 -29.070 1.00 80.88 ? 801 NDG A C8 1 HETATM 3127 O O . NDG D 4 . ? 23.566 49.862 -25.765 1.00 76.81 ? 801 NDG A O 1 HETATM 3128 O O3 . NDG D 4 . ? 24.315 50.239 -29.741 1.00 77.23 ? 801 NDG A O3 1 HETATM 3129 O O4 . NDG D 4 . ? 21.669 49.888 -28.805 1.00 78.89 ? 801 NDG A O4 1 HETATM 3130 O O6 . NDG D 4 . ? 22.883 47.018 -26.414 1.00 78.06 ? 801 NDG A O6 1 HETATM 3131 O O7 . NDG D 4 . ? 25.272 52.691 -27.737 1.00 81.61 ? 801 NDG A O7 1 HETATM 3132 N N2 . NDG D 4 . ? 26.311 50.706 -27.504 1.00 80.03 ? 801 NDG A N2 1 HETATM 3133 O O . HOH E 5 . ? 46.213 56.368 6.052 1.00 30.14 ? 802 HOH A O 1 HETATM 3134 O O . HOH E 5 . ? 41.942 58.748 3.337 1.00 42.19 ? 803 HOH A O 1 HETATM 3135 O O . HOH E 5 . ? 47.364 56.649 -2.013 1.00 24.14 ? 804 HOH A O 1 HETATM 3136 O O . HOH E 5 . ? 47.347 30.784 0.807 1.00 20.09 ? 805 HOH A O 1 HETATM 3137 O O . HOH E 5 . ? 43.146 59.105 -8.973 1.00 22.69 ? 806 HOH A O 1 HETATM 3138 O O . HOH E 5 . ? 48.634 63.158 -16.545 1.00 31.08 ? 807 HOH A O 1 HETATM 3139 O O . HOH E 5 . ? 25.175 50.826 -6.049 1.00 26.59 ? 808 HOH A O 1 HETATM 3140 O O . HOH E 5 . ? 52.409 47.573 1.978 1.00 13.08 ? 809 HOH A O 1 HETATM 3141 O O . HOH E 5 . ? 29.916 50.814 -13.201 1.00 15.99 ? 810 HOH A O 1 HETATM 3142 O O . HOH E 5 . ? 58.395 61.355 7.926 1.00 38.65 ? 811 HOH A O 1 HETATM 3143 O O . HOH E 5 . ? 45.257 58.573 -10.428 1.00 28.45 ? 812 HOH A O 1 HETATM 3144 O O . HOH E 5 . ? 52.122 32.405 11.738 1.00 25.98 ? 813 HOH A O 1 HETATM 3145 O O . HOH E 5 . ? 71.668 26.576 0.854 1.00 14.13 ? 814 HOH A O 1 HETATM 3146 O O . HOH E 5 . ? 34.545 51.880 9.083 1.00 33.89 ? 815 HOH A O 1 HETATM 3147 O O . HOH E 5 . ? 56.479 34.419 1.380 1.00 19.75 ? 816 HOH A O 1 HETATM 3148 O O . HOH E 5 . ? 48.137 45.118 12.347 1.00 22.43 ? 817 HOH A O 1 HETATM 3149 O O . HOH E 5 . ? 30.534 59.454 1.721 1.00 39.53 ? 818 HOH A O 1 HETATM 3150 O O . HOH E 5 . ? 49.401 38.399 9.691 1.00 30.28 ? 819 HOH A O 1 HETATM 3151 O O . HOH E 5 . ? 38.374 44.610 6.232 1.00 34.27 ? 820 HOH A O 1 HETATM 3152 O O . HOH E 5 . ? 27.790 50.251 -11.263 1.00 18.14 ? 821 HOH A O 1 HETATM 3153 O O . HOH E 5 . ? 62.670 36.674 5.381 1.00 26.03 ? 822 HOH A O 1 HETATM 3154 O O . HOH E 5 . ? 58.983 28.917 -1.014 1.00 36.89 ? 823 HOH A O 1 HETATM 3155 O O . HOH E 5 . ? 34.165 59.818 -13.260 1.00 28.04 ? 824 HOH A O 1 HETATM 3156 O O . HOH E 5 . ? 44.190 50.511 -26.153 1.00 18.07 ? 825 HOH A O 1 HETATM 3157 O O . HOH E 5 . ? 50.071 65.871 -4.870 1.00 22.37 ? 826 HOH A O 1 HETATM 3158 O O . HOH E 5 . ? 56.682 22.425 14.718 1.00 43.62 ? 827 HOH A O 1 HETATM 3159 O O . HOH E 5 . ? 43.462 48.290 -27.327 1.00 20.53 ? 828 HOH A O 1 HETATM 3160 O O . HOH E 5 . ? 27.506 44.408 -17.631 1.00 42.77 ? 829 HOH A O 1 HETATM 3161 O O . HOH E 5 . ? 57.616 53.574 -9.866 1.00 43.55 ? 830 HOH A O 1 HETATM 3162 O O . HOH E 5 . ? 48.092 48.456 22.255 1.00 53.24 ? 831 HOH A O 1 HETATM 3163 O O . HOH E 5 . ? 43.517 42.275 -15.931 1.00 30.15 ? 832 HOH A O 1 HETATM 3164 O O . HOH E 5 . ? 69.008 56.514 -2.349 1.00 30.60 ? 833 HOH A O 1 HETATM 3165 O O . HOH E 5 . ? 68.214 15.613 1.403 1.00 39.91 ? 834 HOH A O 1 HETATM 3166 O O . HOH E 5 . ? 71.848 55.963 1.160 1.00 25.35 ? 835 HOH A O 1 HETATM 3167 O O . HOH E 5 . ? 24.767 45.275 -19.229 1.00 38.36 ? 836 HOH A O 1 HETATM 3168 O O . HOH E 5 . ? 43.475 65.441 -24.118 1.00 28.25 ? 837 HOH A O 1 HETATM 3169 O O . HOH E 5 . ? 61.329 55.323 8.962 1.00 18.13 ? 838 HOH A O 1 HETATM 3170 O O . HOH E 5 . ? 29.063 54.899 -2.346 1.00 35.93 ? 839 HOH A O 1 HETATM 3171 O O . HOH E 5 . ? 56.579 50.668 17.757 1.00 23.65 ? 840 HOH A O 1 HETATM 3172 O O . HOH E 5 . ? 38.589 65.949 3.309 1.00 34.81 ? 841 HOH A O 1 HETATM 3173 O O . HOH E 5 . ? 67.018 58.548 6.160 1.00 20.23 ? 842 HOH A O 1 HETATM 3174 O O . HOH E 5 . ? 58.673 53.864 18.522 1.00 29.63 ? 843 HOH A O 1 HETATM 3175 O O . HOH E 5 . ? 60.016 56.529 19.419 1.00 24.67 ? 844 HOH A O 1 HETATM 3176 O O . HOH E 5 . ? 55.014 59.132 18.286 1.00 38.33 ? 845 HOH A O 1 HETATM 3177 O O . HOH E 5 . ? 62.673 64.879 -13.750 1.00 22.38 ? 846 HOH A O 1 HETATM 3178 O O . HOH E 5 . ? 65.819 54.837 7.085 1.00 17.48 ? 847 HOH A O 1 HETATM 3179 O O . HOH E 5 . ? 25.199 46.465 -16.002 1.00 33.70 ? 848 HOH A O 1 HETATM 3180 O O . HOH E 5 . ? 54.864 63.741 -13.544 1.00 22.23 ? 849 HOH A O 1 HETATM 3181 O O . HOH E 5 . ? 51.505 52.216 -11.038 1.00 21.16 ? 850 HOH A O 1 HETATM 3182 O O . HOH E 5 . ? 29.280 43.884 -1.485 1.00 33.46 ? 851 HOH A O 1 HETATM 3183 O O . HOH E 5 . ? 57.386 56.315 19.246 1.00 27.40 ? 852 HOH A O 1 HETATM 3184 O O . HOH E 5 . ? 48.850 7.514 7.756 1.00 45.06 ? 853 HOH A O 1 HETATM 3185 O O . HOH E 5 . ? 57.058 45.322 8.477 1.00 25.96 ? 854 HOH A O 1 HETATM 3186 O O . HOH E 5 . ? 61.106 43.622 8.829 1.00 31.66 ? 855 HOH A O 1 HETATM 3187 O O . HOH E 5 . ? 40.993 65.172 -23.203 1.00 25.65 ? 856 HOH A O 1 HETATM 3188 O O . HOH E 5 . ? 52.025 46.586 -5.993 1.00 39.25 ? 857 HOH A O 1 HETATM 3189 O O . HOH E 5 . ? 46.059 48.526 -14.625 1.00 24.49 ? 858 HOH A O 1 HETATM 3190 O O . HOH E 5 . ? 37.742 45.810 -10.330 1.00 26.26 ? 859 HOH A O 1 HETATM 3191 O O . HOH E 5 . ? 63.627 45.145 8.040 1.00 24.55 ? 860 HOH A O 1 HETATM 3192 O O . HOH E 5 . ? 61.693 47.647 -5.753 1.00 37.26 ? 861 HOH A O 1 HETATM 3193 O O . HOH E 5 . ? 37.987 46.746 -17.947 1.00 33.02 ? 862 HOH A O 1 HETATM 3194 O O . HOH E 5 . ? 46.798 15.347 3.870 1.00 35.93 ? 863 HOH A O 1 HETATM 3195 O O . HOH E 5 . ? 51.531 56.553 13.088 1.00 31.53 ? 864 HOH A O 1 HETATM 3196 O O . HOH E 5 . ? 28.020 43.300 -4.825 1.00 38.25 ? 865 HOH A O 1 HETATM 3197 O O . HOH E 5 . ? 29.864 56.887 4.762 1.00 33.40 ? 866 HOH A O 1 HETATM 3198 O O . HOH E 5 . ? 49.132 34.816 18.852 1.00 27.23 ? 867 HOH A O 1 HETATM 3199 O O . HOH E 5 . ? 49.525 70.706 -16.293 1.00 38.68 ? 868 HOH A O 1 HETATM 3200 O O . HOH E 5 . ? 52.756 16.883 -3.057 1.00 27.65 ? 869 HOH A O 1 HETATM 3201 O O . HOH E 5 . ? 49.011 69.171 -11.498 1.00 26.88 ? 870 HOH A O 1 HETATM 3202 O O . HOH E 5 . ? 40.890 43.938 6.154 1.00 33.09 ? 871 HOH A O 1 HETATM 3203 O O . HOH E 5 . ? 23.915 51.365 -8.198 1.00 34.60 ? 872 HOH A O 1 HETATM 3204 O O . HOH E 5 . ? 63.689 52.957 9.110 1.00 30.99 ? 873 HOH A O 1 HETATM 3205 O O . HOH E 5 . ? 31.196 54.501 -3.638 1.00 47.38 ? 874 HOH A O 1 HETATM 3206 O O . HOH E 5 . ? 55.007 48.748 17.763 1.00 34.28 ? 875 HOH A O 1 HETATM 3207 O O . HOH E 5 . ? 72.401 25.854 3.163 1.00 31.64 ? 876 HOH A O 1 HETATM 3208 O O . HOH E 5 . ? 48.593 65.236 -0.223 1.00 30.64 ? 877 HOH A O 1 HETATM 3209 O O . HOH E 5 . ? 64.219 56.647 6.692 1.00 39.94 ? 878 HOH A O 1 HETATM 3210 O O . HOH E 5 . ? 55.958 50.906 -16.591 1.00 43.43 ? 879 HOH A O 1 HETATM 3211 O O . HOH E 5 . ? 54.951 52.519 -11.450 1.00 38.74 ? 880 HOH A O 1 HETATM 3212 O O . HOH E 5 . ? 39.057 56.940 -9.201 1.00 46.45 ? 881 HOH A O 1 HETATM 3213 O O . HOH E 5 . ? 46.771 49.200 -17.202 1.00 34.17 ? 882 HOH A O 1 HETATM 3214 O O . HOH E 5 . ? 51.306 49.976 21.261 1.00 34.12 ? 883 HOH A O 1 HETATM 3215 O O . HOH E 5 . ? 52.486 52.194 20.064 1.00 36.91 ? 884 HOH A O 1 HETATM 3216 O O . HOH E 5 . ? 71.106 27.883 -1.125 1.00 35.89 ? 885 HOH A O 1 HETATM 3217 O O . HOH E 5 . ? 39.605 66.015 19.585 1.00 31.53 ? 886 HOH A O 1 HETATM 3218 O O . HOH E 5 . ? 47.201 65.780 -4.122 1.00 36.91 ? 887 HOH A O 1 HETATM 3219 O O . HOH E 5 . ? 19.404 48.615 -29.097 1.00 44.57 ? 888 HOH A O 1 HETATM 3220 O O . HOH E 5 . ? 61.864 53.855 19.371 1.00 41.16 ? 889 HOH A O 1 HETATM 3221 O O . HOH E 5 . ? 61.778 52.617 -10.608 1.00 38.95 ? 890 HOH A O 1 HETATM 3222 O O . HOH E 5 . ? 61.955 35.088 16.491 1.00 48.84 ? 891 HOH A O 1 HETATM 3223 O O . HOH E 5 . ? 66.897 48.855 0.446 1.00 39.80 ? 892 HOH A O 1 HETATM 3224 O O . HOH E 5 . ? 45.911 24.073 3.020 1.00 34.39 ? 893 HOH A O 1 HETATM 3225 O O . HOH E 5 . ? 33.010 44.824 -17.571 1.00 29.84 ? 894 HOH A O 1 HETATM 3226 O O . HOH E 5 . ? 71.147 23.420 -3.826 1.00 40.34 ? 895 HOH A O 1 HETATM 3227 O O . HOH E 5 . ? 28.973 60.370 -14.416 1.00 31.44 ? 896 HOH A O 1 HETATM 3228 O O . HOH E 5 . ? 52.039 41.720 16.132 1.00 36.73 ? 897 HOH A O 1 HETATM 3229 O O . HOH E 5 . ? 53.661 49.922 -17.045 1.00 32.53 ? 898 HOH A O 1 HETATM 3230 O O . HOH E 5 . ? 58.290 46.704 -0.912 1.00 39.98 ? 899 HOH A O 1 HETATM 3231 O O . HOH E 5 . ? 51.054 42.657 13.397 1.00 35.51 ? 900 HOH A O 1 HETATM 3232 O O . HOH E 5 . ? 61.979 59.449 -16.257 1.00 50.19 ? 901 HOH A O 1 HETATM 3233 O O . HOH E 5 . ? 64.699 58.873 -4.958 1.00 40.12 ? 902 HOH A O 1 HETATM 3234 O O . HOH E 5 . ? 68.519 29.286 12.204 1.00 39.57 ? 903 HOH A O 1 HETATM 3235 O O . HOH E 5 . ? 23.732 43.813 -26.689 1.00 49.25 ? 904 HOH A O 1 HETATM 3236 O O . HOH E 5 . ? 48.236 42.348 12.505 1.00 35.89 ? 905 HOH A O 1 HETATM 3237 O O . HOH E 5 . ? 48.892 67.170 -22.402 1.00 39.66 ? 906 HOH A O 1 HETATM 3238 O O . HOH E 5 . ? 50.087 65.376 -18.210 1.00 34.24 ? 907 HOH A O 1 HETATM 3239 O O . HOH E 5 . ? 59.004 44.194 6.668 1.00 35.25 ? 908 HOH A O 1 HETATM 3240 O O . HOH E 5 . ? 53.044 13.592 11.392 1.00 40.09 ? 909 HOH A O 1 HETATM 3241 O O . HOH E 5 . ? 58.019 54.255 -17.091 1.00 39.89 ? 910 HOH A O 1 HETATM 3242 O O . HOH E 5 . ? 42.112 44.485 -19.202 1.00 37.27 ? 911 HOH A O 1 HETATM 3243 O O . HOH E 5 . ? 56.604 -1.914 2.228 1.00 37.02 ? 912 HOH A O 1 HETATM 3244 O O . HOH E 5 . ? 56.418 65.578 -13.003 1.00 35.67 ? 913 HOH A O 1 HETATM 3245 O O . HOH E 5 . ? 22.373 44.593 -6.973 1.00 45.50 ? 914 HOH A O 1 HETATM 3246 O O . HOH E 5 . ? 63.066 53.622 14.376 1.00 33.36 ? 915 HOH A O 1 HETATM 3247 O O . HOH E 5 . ? 25.572 59.418 1.789 1.00 43.09 ? 916 HOH A O 1 HETATM 3248 O O . HOH E 5 . ? 56.363 17.060 13.420 1.00 42.46 ? 917 HOH A O 1 HETATM 3249 O O . HOH E 5 . ? 38.960 48.491 -26.094 1.00 37.04 ? 918 HOH A O 1 HETATM 3250 O O . HOH E 5 . ? 49.659 42.680 20.000 1.00 42.26 ? 919 HOH A O 1 HETATM 3251 O O . HOH E 5 . ? 57.477 65.824 -7.544 1.00 40.70 ? 920 HOH A O 1 HETATM 3252 O O . HOH E 5 . ? 54.804 36.548 0.120 1.00 33.98 ? 921 HOH A O 1 HETATM 3253 O O . HOH E 5 . ? 37.880 46.360 -22.045 1.00 43.12 ? 922 HOH A O 1 HETATM 3254 O O . HOH E 5 . ? 27.245 63.968 -3.293 1.00 46.74 ? 923 HOH A O 1 HETATM 3255 O O . HOH F 5 . ? 37.247 23.201 20.736 1.00 23.12 ? 100 HOH B O 1 HETATM 3256 O O . HOH F 5 . ? 37.269 19.924 12.705 1.00 25.56 ? 101 HOH B O 1 HETATM 3257 O O . HOH F 5 . ? 45.737 23.437 11.327 1.00 24.71 ? 102 HOH B O 1 HETATM 3258 O O . HOH F 5 . ? 42.240 23.654 4.444 1.00 32.63 ? 103 HOH B O 1 HETATM 3259 O O . HOH F 5 . ? 46.401 24.518 20.655 1.00 36.13 ? 104 HOH B O 1 HETATM 3260 O O . HOH F 5 . ? 40.290 17.649 12.144 1.00 43.05 ? 105 HOH B O 1 HETATM 3261 O O . HOH F 5 . ? 42.786 39.729 -14.382 1.00 21.91 ? 106 HOH B O 1 HETATM 3262 O O . HOH F 5 . ? 45.796 38.939 2.038 1.00 14.61 ? 107 HOH B O 1 HETATM 3263 O O . HOH F 5 . ? 55.429 29.972 16.613 1.00 32.35 ? 108 HOH B O 1 HETATM 3264 O O . HOH F 5 . ? 50.966 29.693 11.946 1.00 37.53 ? 109 HOH B O 1 HETATM 3265 O O . HOH F 5 . ? 54.136 27.592 17.064 1.00 41.94 ? 110 HOH B O 1 HETATM 3266 O O . HOH F 5 . ? 34.598 41.694 0.430 1.00 20.61 ? 111 HOH B O 1 HETATM 3267 O O . HOH F 5 . ? 38.226 18.074 14.168 1.00 32.71 ? 112 HOH B O 1 HETATM 3268 O O . HOH F 5 . ? 39.646 25.389 -1.617 1.00 33.58 ? 113 HOH B O 1 HETATM 3269 O O . HOH F 5 . ? 33.451 44.084 -0.627 1.00 32.76 ? 114 HOH B O 1 HETATM 3270 O O . HOH F 5 . ? 49.103 23.708 11.594 1.00 41.20 ? 115 HOH B O 1 HETATM 3271 O O . HOH F 5 . ? 26.855 19.510 14.078 1.00 21.97 ? 116 HOH B O 1 HETATM 3272 O O . HOH F 5 . ? 43.519 33.719 -9.054 1.00 31.26 ? 117 HOH B O 1 HETATM 3273 O O . HOH F 5 . ? 35.376 23.970 23.298 1.00 26.16 ? 118 HOH B O 1 HETATM 3274 O O . HOH F 5 . ? 39.046 23.466 26.727 1.00 35.77 ? 119 HOH B O 1 HETATM 3275 O O . HOH F 5 . ? 38.888 20.879 18.388 1.00 34.85 ? 120 HOH B O 1 HETATM 3276 O O . HOH F 5 . ? 45.748 15.169 6.574 1.00 38.40 ? 121 HOH B O 1 HETATM 3277 O O . HOH F 5 . ? 51.868 24.406 19.501 1.00 48.27 ? 122 HOH B O 1 HETATM 3278 O O . HOH F 5 . ? 35.513 12.741 25.823 1.00 41.97 ? 123 HOH B O 1 HETATM 3279 O O . HOH F 5 . ? 30.973 33.288 11.429 1.00 31.94 ? 124 HOH B O 1 HETATM 3280 O O . HOH F 5 . ? 27.476 28.284 22.046 1.00 47.75 ? 125 HOH B O 1 HETATM 3281 O O . HOH F 5 . ? 26.469 22.089 17.871 1.00 36.31 ? 126 HOH B O 1 HETATM 3282 O O . HOH F 5 . ? 48.755 42.792 -5.560 1.00 42.49 ? 127 HOH B O 1 HETATM 3283 O O . HOH F 5 . ? 50.074 39.216 -6.448 1.00 47.73 ? 128 HOH B O 1 HETATM 3284 O O . HOH F 5 . ? 45.233 23.766 6.128 1.00 34.08 ? 129 HOH B O 1 HETATM 3285 O O . HOH F 5 . ? 37.960 35.957 18.395 1.00 39.84 ? 130 HOH B O 1 HETATM 3286 O O . HOH F 5 . ? 36.309 27.306 21.261 1.00 33.99 ? 131 HOH B O 1 HETATM 3287 O O . HOH F 5 . ? 45.018 28.068 29.237 1.00 38.52 ? 132 HOH B O 1 HETATM 3288 O O . HOH F 5 . ? 31.252 22.889 12.561 1.00 48.08 ? 133 HOH B O 1 HETATM 3289 O O . HOH F 5 . ? 21.281 20.867 -1.538 1.00 38.88 ? 134 HOH B O 1 HETATM 3290 O O . HOH F 5 . ? 47.015 29.317 -8.247 1.00 42.58 ? 135 HOH B O 1 HETATM 3291 O O . HOH F 5 . ? 29.576 23.860 19.897 1.00 38.67 ? 136 HOH B O 1 HETATM 3292 O O . HOH G 5 . ? 38.746 64.269 -12.409 1.00 54.16 ? 57 HOH P O 1 HETATM 3293 O O . HOH G 5 . ? 38.357 62.046 -4.443 1.00 36.38 ? 97 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 SER 2 2 2 SER SER 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 NDG 1 801 801 NDG NAG A . E 5 HOH 1 802 1 HOH WAT A . E 5 HOH 2 803 2 HOH WAT A . E 5 HOH 3 804 3 HOH WAT A . E 5 HOH 4 805 4 HOH WAT A . E 5 HOH 5 806 5 HOH WAT A . E 5 HOH 6 807 6 HOH WAT A . E 5 HOH 7 808 7 HOH WAT A . E 5 HOH 8 809 8 HOH WAT A . E 5 HOH 9 810 9 HOH WAT A . E 5 HOH 10 811 10 HOH WAT A . E 5 HOH 11 812 12 HOH WAT A . E 5 HOH 12 813 14 HOH WAT A . E 5 HOH 13 814 15 HOH WAT A . E 5 HOH 14 815 16 HOH WAT A . E 5 HOH 15 816 17 HOH WAT A . E 5 HOH 16 817 19 HOH WAT A . E 5 HOH 17 818 20 HOH WAT A . E 5 HOH 18 819 22 HOH WAT A . E 5 HOH 19 820 24 HOH WAT A . E 5 HOH 20 821 25 HOH WAT A . E 5 HOH 21 822 26 HOH WAT A . E 5 HOH 22 823 27 HOH WAT A . E 5 HOH 23 824 28 HOH WAT A . E 5 HOH 24 825 29 HOH WAT A . E 5 HOH 25 826 30 HOH WAT A . E 5 HOH 26 827 32 HOH WAT A . E 5 HOH 27 828 33 HOH WAT A . E 5 HOH 28 829 34 HOH WAT A . E 5 HOH 29 830 35 HOH WAT A . E 5 HOH 30 831 36 HOH WAT A . E 5 HOH 31 832 37 HOH WAT A . E 5 HOH 32 833 38 HOH WAT A . E 5 HOH 33 834 40 HOH WAT A . E 5 HOH 34 835 41 HOH WAT A . E 5 HOH 35 836 43 HOH WAT A . E 5 HOH 36 837 45 HOH WAT A . E 5 HOH 37 838 47 HOH WAT A . E 5 HOH 38 839 49 HOH WAT A . E 5 HOH 39 840 51 HOH WAT A . E 5 HOH 40 841 55 HOH WAT A . E 5 HOH 41 842 56 HOH WAT A . E 5 HOH 42 843 58 HOH WAT A . E 5 HOH 43 844 59 HOH WAT A . E 5 HOH 44 845 60 HOH WAT A . E 5 HOH 45 846 62 HOH WAT A . E 5 HOH 46 847 63 HOH WAT A . E 5 HOH 47 848 64 HOH WAT A . E 5 HOH 48 849 65 HOH WAT A . E 5 HOH 49 850 66 HOH WAT A . E 5 HOH 50 851 67 HOH WAT A . E 5 HOH 51 852 68 HOH WAT A . E 5 HOH 52 853 69 HOH WAT A . E 5 HOH 53 854 70 HOH WAT A . E 5 HOH 54 855 71 HOH WAT A . E 5 HOH 55 856 73 HOH WAT A . E 5 HOH 56 857 74 HOH WAT A . E 5 HOH 57 858 75 HOH WAT A . E 5 HOH 58 859 76 HOH WAT A . E 5 HOH 59 860 77 HOH WAT A . E 5 HOH 60 861 78 HOH WAT A . E 5 HOH 61 862 80 HOH WAT A . E 5 HOH 62 863 82 HOH WAT A . E 5 HOH 63 864 83 HOH WAT A . E 5 HOH 64 865 84 HOH WAT A . E 5 HOH 65 866 85 HOH WAT A . E 5 HOH 66 867 86 HOH WAT A . E 5 HOH 67 868 87 HOH WAT A . E 5 HOH 68 869 88 HOH WAT A . E 5 HOH 69 870 89 HOH WAT A . E 5 HOH 70 871 91 HOH WAT A . E 5 HOH 71 872 93 HOH WAT A . E 5 HOH 72 873 94 HOH WAT A . E 5 HOH 73 874 96 HOH WAT A . E 5 HOH 74 875 98 HOH WAT A . E 5 HOH 75 876 101 HOH WAT A . E 5 HOH 76 877 102 HOH WAT A . E 5 HOH 77 878 103 HOH WAT A . E 5 HOH 78 879 104 HOH WAT A . E 5 HOH 79 880 105 HOH WAT A . E 5 HOH 80 881 106 HOH WAT A . E 5 HOH 81 882 107 HOH WAT A . E 5 HOH 82 883 109 HOH WAT A . E 5 HOH 83 884 110 HOH WAT A . E 5 HOH 84 885 113 HOH WAT A . E 5 HOH 85 886 114 HOH WAT A . E 5 HOH 86 887 115 HOH WAT A . E 5 HOH 87 888 116 HOH WAT A . E 5 HOH 88 889 117 HOH WAT A . E 5 HOH 89 890 118 HOH WAT A . E 5 HOH 90 891 121 HOH WAT A . E 5 HOH 91 892 122 HOH WAT A . E 5 HOH 92 893 125 HOH WAT A . E 5 HOH 93 894 126 HOH WAT A . E 5 HOH 94 895 127 HOH WAT A . E 5 HOH 95 896 129 HOH WAT A . E 5 HOH 96 897 130 HOH WAT A . E 5 HOH 97 898 131 HOH WAT A . E 5 HOH 98 899 132 HOH WAT A . E 5 HOH 99 900 133 HOH WAT A . E 5 HOH 100 901 134 HOH WAT A . E 5 HOH 101 902 135 HOH WAT A . E 5 HOH 102 903 137 HOH WAT A . E 5 HOH 103 904 138 HOH WAT A . E 5 HOH 104 905 139 HOH WAT A . E 5 HOH 105 906 140 HOH WAT A . E 5 HOH 106 907 141 HOH WAT A . E 5 HOH 107 908 142 HOH WAT A . E 5 HOH 108 909 144 HOH WAT A . E 5 HOH 109 910 145 HOH WAT A . E 5 HOH 110 911 146 HOH WAT A . E 5 HOH 111 912 147 HOH WAT A . E 5 HOH 112 913 148 HOH WAT A . E 5 HOH 113 914 149 HOH WAT A . E 5 HOH 114 915 150 HOH WAT A . E 5 HOH 115 916 151 HOH WAT A . E 5 HOH 116 917 152 HOH WAT A . E 5 HOH 117 918 154 HOH WAT A . E 5 HOH 118 919 155 HOH WAT A . E 5 HOH 119 920 156 HOH WAT A . E 5 HOH 120 921 159 HOH WAT A . E 5 HOH 121 922 160 HOH WAT A . E 5 HOH 122 923 161 HOH WAT A . F 5 HOH 1 100 11 HOH WAT B . F 5 HOH 2 101 13 HOH WAT B . F 5 HOH 3 102 18 HOH WAT B . F 5 HOH 4 103 21 HOH WAT B . F 5 HOH 5 104 23 HOH WAT B . F 5 HOH 6 105 31 HOH WAT B . F 5 HOH 7 106 39 HOH WAT B . F 5 HOH 8 107 42 HOH WAT B . F 5 HOH 9 108 44 HOH WAT B . F 5 HOH 10 109 46 HOH WAT B . F 5 HOH 11 110 48 HOH WAT B . F 5 HOH 12 111 50 HOH WAT B . F 5 HOH 13 112 52 HOH WAT B . F 5 HOH 14 113 53 HOH WAT B . F 5 HOH 15 114 54 HOH WAT B . F 5 HOH 16 115 61 HOH WAT B . F 5 HOH 17 116 72 HOH WAT B . F 5 HOH 18 117 79 HOH WAT B . F 5 HOH 19 118 81 HOH WAT B . F 5 HOH 20 119 90 HOH WAT B . F 5 HOH 21 120 92 HOH WAT B . F 5 HOH 22 121 95 HOH WAT B . F 5 HOH 23 122 99 HOH WAT B . F 5 HOH 24 123 100 HOH WAT B . F 5 HOH 25 124 108 HOH WAT B . F 5 HOH 26 125 111 HOH WAT B . F 5 HOH 27 126 112 HOH WAT B . F 5 HOH 28 127 119 HOH WAT B . F 5 HOH 29 128 120 HOH WAT B . F 5 HOH 30 129 123 HOH WAT B . F 5 HOH 31 130 124 HOH WAT B . F 5 HOH 32 131 128 HOH WAT B . F 5 HOH 33 132 136 HOH WAT B . F 5 HOH 34 133 143 HOH WAT B . F 5 HOH 35 134 153 HOH WAT B . F 5 HOH 36 135 157 HOH WAT B . F 5 HOH 37 136 158 HOH WAT B . G 5 HOH 1 57 57 HOH WAT P . G 5 HOH 2 97 97 HOH WAT P . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 86 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 86 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details '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 # 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)' 4330 ? 1 MORE -18 ? 1 'SSA (A^2)' 18990 ? # _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' '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 ? ? -155.11 76.26 2 1 ASP A 29 ? ? 70.63 -118.98 3 1 PRO A 43 ? ? -55.29 101.40 4 1 TYR A 123 ? ? -117.06 -73.42 5 1 GLU A 196 ? ? 70.18 65.41 6 1 ASP A 197 ? ? 35.27 43.57 7 1 GLN A 264 ? ? -69.17 18.56 8 1 HIS B 31 ? ? -171.80 137.06 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 5 water HOH #