data_5JKA # _entry.id 5JKA # _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 5JKA WWPDB D_1000220775 # loop_ _pdbx_database_related.content_type _pdbx_database_related.db_id _pdbx_database_related.db_name _pdbx_database_related.details unspecified 5JKE PDB . unspecified 5JKD PDB . unspecified 5JKC PDB . unspecified 5JKB PDB . unspecified 5JK9 PDB . # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5JKA _pdbx_database_status.recvd_initial_deposition_date 2016-04-26 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Ohto, U.' 1 'Ishida, H.' 2 'Shimizu, T.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 1476-4687 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 534 _citation.language ? _citation.page_first 566 _citation.page_last 569 _citation.title 'Structure of IZUMO1-JUNO reveals sperm-oocyte recognition during mammalian fertilization' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/nature18596 _citation.pdbx_database_id_PubMed 27309808 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ohto, U.' 1 primary 'Ishida, H.' 2 primary 'Krayukhina, E.' 3 primary 'Uchiyama, S.' 4 primary 'Inoue, N.' 5 primary 'Shimizu, T.' 6 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5JKA _cell.details ? _cell.formula_units_Z ? _cell.length_a 51.920 _cell.length_a_esd ? _cell.length_b 81.038 _cell.length_b_esd ? _cell.length_c 235.084 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 16 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5JKA _symmetry.cell_setting ? _symmetry.Int_Tables_number 24 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'I 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Sperm-egg fusion protein Juno' 25428.842 2 ? ? 'UNP residues 20-228' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer syn 'CHLORIDE ION' 35.453 3 ? ? ? ? 6 water nat water 18.015 149 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Folate receptor 4,Folate receptor delta,FR-delta,IZUMO1 receptor protein JUNO' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;RSPWGDELLNICMNAKHHKRVPSPEDKLYEECIPWKDNACCTLTTSWEAHLDVSPLYNFSLFHCGLLMPGCRKHFIQAIC FYECSPNLGPWIQPVGSLGWEVAPSGQGERVVNVPLCQEDCEEWWEDCRMSYTCKSNWRGGWDWSQGKNRCPKGAQCLPF SHYFPTPADLCEKTWSNSFKASPERRNSGRCLQKWFEPAQGNPNVAVARLFASEFLEVLFQ ; _entity_poly.pdbx_seq_one_letter_code_can ;RSPWGDELLNICMNAKHHKRVPSPEDKLYEECIPWKDNACCTLTTSWEAHLDVSPLYNFSLFHCGLLMPGCRKHFIQAIC FYECSPNLGPWIQPVGSLGWEVAPSGQGERVVNVPLCQEDCEEWWEDCRMSYTCKSNWRGGWDWSQGKNRCPKGAQCLPF SHYFPTPADLCEKTWSNSFKASPERRNSGRCLQKWFEPAQGNPNVAVARLFASEFLEVLFQ ; _entity_poly.pdbx_strand_id B,A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 SER n 1 3 PRO n 1 4 TRP n 1 5 GLY n 1 6 ASP n 1 7 GLU n 1 8 LEU n 1 9 LEU n 1 10 ASN n 1 11 ILE n 1 12 CYS n 1 13 MET n 1 14 ASN n 1 15 ALA n 1 16 LYS n 1 17 HIS n 1 18 HIS n 1 19 LYS n 1 20 ARG n 1 21 VAL n 1 22 PRO n 1 23 SER n 1 24 PRO n 1 25 GLU n 1 26 ASP n 1 27 LYS n 1 28 LEU n 1 29 TYR n 1 30 GLU n 1 31 GLU n 1 32 CYS n 1 33 ILE n 1 34 PRO n 1 35 TRP n 1 36 LYS n 1 37 ASP n 1 38 ASN n 1 39 ALA n 1 40 CYS n 1 41 CYS n 1 42 THR n 1 43 LEU n 1 44 THR n 1 45 THR n 1 46 SER n 1 47 TRP n 1 48 GLU n 1 49 ALA n 1 50 HIS n 1 51 LEU n 1 52 ASP n 1 53 VAL n 1 54 SER n 1 55 PRO n 1 56 LEU n 1 57 TYR n 1 58 ASN n 1 59 PHE n 1 60 SER n 1 61 LEU n 1 62 PHE n 1 63 HIS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 LEU n 1 68 MET n 1 69 PRO n 1 70 GLY n 1 71 CYS n 1 72 ARG n 1 73 LYS n 1 74 HIS n 1 75 PHE n 1 76 ILE n 1 77 GLN n 1 78 ALA n 1 79 ILE n 1 80 CYS n 1 81 PHE n 1 82 TYR n 1 83 GLU n 1 84 CYS n 1 85 SER n 1 86 PRO n 1 87 ASN n 1 88 LEU n 1 89 GLY n 1 90 PRO n 1 91 TRP n 1 92 ILE n 1 93 GLN n 1 94 PRO n 1 95 VAL n 1 96 GLY n 1 97 SER n 1 98 LEU n 1 99 GLY n 1 100 TRP n 1 101 GLU n 1 102 VAL n 1 103 ALA n 1 104 PRO n 1 105 SER n 1 106 GLY n 1 107 GLN n 1 108 GLY n 1 109 GLU n 1 110 ARG n 1 111 VAL n 1 112 VAL n 1 113 ASN n 1 114 VAL n 1 115 PRO n 1 116 LEU n 1 117 CYS n 1 118 GLN n 1 119 GLU n 1 120 ASP n 1 121 CYS n 1 122 GLU n 1 123 GLU n 1 124 TRP n 1 125 TRP n 1 126 GLU n 1 127 ASP n 1 128 CYS n 1 129 ARG n 1 130 MET n 1 131 SER n 1 132 TYR n 1 133 THR n 1 134 CYS n 1 135 LYS n 1 136 SER n 1 137 ASN n 1 138 TRP n 1 139 ARG n 1 140 GLY n 1 141 GLY n 1 142 TRP n 1 143 ASP n 1 144 TRP n 1 145 SER n 1 146 GLN n 1 147 GLY n 1 148 LYS n 1 149 ASN n 1 150 ARG n 1 151 CYS n 1 152 PRO n 1 153 LYS n 1 154 GLY n 1 155 ALA n 1 156 GLN n 1 157 CYS n 1 158 LEU n 1 159 PRO n 1 160 PHE n 1 161 SER n 1 162 HIS n 1 163 TYR n 1 164 PHE n 1 165 PRO n 1 166 THR n 1 167 PRO n 1 168 ALA n 1 169 ASP n 1 170 LEU n 1 171 CYS n 1 172 GLU n 1 173 LYS n 1 174 THR n 1 175 TRP n 1 176 SER n 1 177 ASN n 1 178 SER n 1 179 PHE n 1 180 LYS n 1 181 ALA n 1 182 SER n 1 183 PRO n 1 184 GLU n 1 185 ARG n 1 186 ARG n 1 187 ASN n 1 188 SER n 1 189 GLY n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 GLN n 1 194 LYS n 1 195 TRP n 1 196 PHE n 1 197 GLU n 1 198 PRO n 1 199 ALA n 1 200 GLN n 1 201 GLY n 1 202 ASN n 1 203 PRO n 1 204 ASN n 1 205 VAL n 1 206 ALA n 1 207 VAL n 1 208 ALA n 1 209 ARG n 1 210 LEU n 1 211 PHE n 1 212 ALA n 1 213 SER n 1 214 GLU n 1 215 PHE n 1 216 LEU n 1 217 GLU n 1 218 VAL n 1 219 LEU n 1 220 PHE n 1 221 GLN n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 221 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'IZUMO1R, FOLR4, JUNO' _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 Drosophila _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7215 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code JUNO_HUMAN _struct_ref.pdbx_db_accession A6ND01 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GDELLNICMNAKHHKRVPSPEDKLYEECIPWKDNACCTLTTSWEAHLDVSPLYNFSLFHCGLLMPGCRKHFIQAICFYEC SPNLGPWIQPVGSLGWEVAPSGQGERVVNVPLCQEDCEEWWEDCRMSYTCKSNWRGGWDWSQGKNRCPKGAQCLPFSHYF PTPADLCEKTWSNSFKASPERRNSGRCLQKWFEPAQGNPNVAVARLFAS ; _struct_ref.pdbx_align_begin 20 # 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 5JKA B 5 ? 213 ? A6ND01 20 ? 228 ? 20 228 2 1 5JKA A 5 ? 213 ? A6ND01 20 ? 228 ? 20 228 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5JKA ARG B 1 ? UNP A6ND01 ? ? 'expression tag' 16 1 1 5JKA SER B 2 ? UNP A6ND01 ? ? 'expression tag' 17 2 1 5JKA PRO B 3 ? UNP A6ND01 ? ? 'expression tag' 18 3 1 5JKA TRP B 4 ? UNP A6ND01 ? ? 'expression tag' 19 4 1 5JKA GLU B 214 ? UNP A6ND01 ? ? 'expression tag' 229 5 1 5JKA PHE B 215 ? UNP A6ND01 ? ? 'expression tag' 230 6 1 5JKA LEU B 216 ? UNP A6ND01 ? ? 'expression tag' 231 7 1 5JKA GLU B 217 ? UNP A6ND01 ? ? 'expression tag' 232 8 1 5JKA VAL B 218 ? UNP A6ND01 ? ? 'expression tag' 233 9 1 5JKA LEU B 219 ? UNP A6ND01 ? ? 'expression tag' 234 10 1 5JKA PHE B 220 ? UNP A6ND01 ? ? 'expression tag' 235 11 1 5JKA GLN B 221 ? UNP A6ND01 ? ? 'expression tag' 236 12 2 5JKA ARG A 1 ? UNP A6ND01 ? ? 'expression tag' 16 13 2 5JKA SER A 2 ? UNP A6ND01 ? ? 'expression tag' 17 14 2 5JKA PRO A 3 ? UNP A6ND01 ? ? 'expression tag' 18 15 2 5JKA TRP A 4 ? UNP A6ND01 ? ? 'expression tag' 19 16 2 5JKA GLU A 214 ? UNP A6ND01 ? ? 'expression tag' 229 17 2 5JKA PHE A 215 ? UNP A6ND01 ? ? 'expression tag' 230 18 2 5JKA LEU A 216 ? UNP A6ND01 ? ? 'expression tag' 231 19 2 5JKA GLU A 217 ? UNP A6ND01 ? ? 'expression tag' 232 20 2 5JKA VAL A 218 ? UNP A6ND01 ? ? 'expression tag' 233 21 2 5JKA LEU A 219 ? UNP A6ND01 ? ? 'expression tag' 234 22 2 5JKA PHE A 220 ? UNP A6ND01 ? ? 'expression tag' 235 23 2 5JKA GLN A 221 ? UNP A6ND01 ? ? 'expression tag' 236 24 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5JKA _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.43 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.41 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '20% (w/v) PEG3350, 0.24 M malonate pH 7.0' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 2M-F' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2016-02-22 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'PHOTON FACTORY BEAMLINE AR-NE3A' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline AR-NE3A _diffrn_source.pdbx_synchrotron_site 'Photon Factory' # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5JKA _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.0 _reflns.d_resolution_low 50.0 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 33749 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.2 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 12.3 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 26.6 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high . _reflns_shell.d_res_low ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all ? _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] 3.65 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][2] -0.92 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] -2.72 _refine.B_iso_max ? _refine.B_iso_mean 44.833 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.959 _refine.correlation_coeff_Fo_to_Fc_free 0.952 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5JKA _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.00 _refine.ls_d_res_low 50 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 32072 _refine.ls_number_reflns_R_free 1674 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 98.97 _refine.ls_percent_reflns_R_free 5.0 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.19855 _refine.ls_R_factor_R_free 0.21782 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.19749 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 4KMY _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.175 _refine.pdbx_overall_ESU_R_Free 0.146 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 8.581 _refine.overall_SU_ML 0.118 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 5JKA _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 3236 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 53 _refine_hist.number_atoms_solvent 149 _refine_hist.number_atoms_total 3438 _refine_hist.d_res_high 2.00 _refine_hist.d_res_low 50 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 0.019 3418 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.003 0.020 3005 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.476 1.942 4662 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.010 3.000 6969 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 6.238 5.000 395 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 34.419 23.832 167 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 16.121 15.000 527 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 16.724 15.000 20 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.089 0.200 464 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.006 0.021 3824 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 834 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 2.366 3.036 1592 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 2.364 3.033 1591 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 3.535 4.530 1983 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 3.534 4.533 1984 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 2.857 3.392 1826 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 2.857 3.394 1827 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 4.393 4.953 2680 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 6.942 29.210 14415 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 6.941 29.213 14416 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.001 _refine_ls_shell.d_res_low 2.053 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 118 _refine_ls_shell.number_reflns_R_work 2125 _refine_ls_shell.percent_reflns_obs 90.66 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.272 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.284 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5JKA _struct.title 'Crystal structure of human JUNO (crystal form 1)' _struct.pdbx_descriptor 'Sperm-egg fusion protein Juno' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5JKA _struct_keywords.text 'fertilization, IZUMO1, JUNO, CELL ADHESION' _struct_keywords.pdbx_keywords 'CELL ADHESION' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 5 ? H N N 5 ? I N N 5 ? J N N 6 ? K N N 6 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLY A 5 ? LEU A 9 ? GLY B 20 LEU B 24 5 ? 5 HELX_P HELX_P2 AA2 TYR A 29 ? LYS A 36 ? TYR B 44 LYS B 51 5 ? 8 HELX_P HELX_P3 AA3 THR A 42 ? ALA A 49 ? THR B 57 ALA B 64 1 ? 8 HELX_P HELX_P4 AA4 MET A 68 ? SER A 85 ? MET B 83 SER B 100 1 ? 18 HELX_P HELX_P5 AA5 LEU A 88 ? PRO A 90 ? LEU B 103 PRO B 105 5 ? 3 HELX_P HELX_P6 AA6 CYS A 117 ? ARG A 129 ? CYS B 132 ARG B 144 1 ? 13 HELX_P HELX_P7 AA7 PHE A 160 ? PHE A 164 ? PHE B 175 PHE B 179 1 ? 5 HELX_P HELX_P8 AA8 THR A 166 ? THR A 174 ? THR B 181 THR B 189 1 ? 9 HELX_P HELX_P9 AA9 GLU A 197 ? GLY A 201 ? GLU B 212 GLY B 216 5 ? 5 HELX_P HELX_P10 AB1 PRO A 203 ? GLU A 214 ? PRO B 218 GLU B 229 1 ? 12 HELX_P HELX_P11 AB2 TRP B 4 ? LEU B 9 ? TRP A 19 LEU A 24 5 ? 6 HELX_P HELX_P12 AB3 TYR B 29 ? LYS B 36 ? TYR A 44 LYS A 51 5 ? 8 HELX_P HELX_P13 AB4 THR B 42 ? ALA B 49 ? THR A 57 ALA A 64 1 ? 8 HELX_P HELX_P14 AB5 MET B 68 ? SER B 85 ? MET A 83 SER A 100 1 ? 18 HELX_P HELX_P15 AB6 LEU B 88 ? PRO B 90 ? LEU A 103 PRO A 105 5 ? 3 HELX_P HELX_P16 AB7 CYS B 117 ? ARG B 129 ? CYS A 132 ARG A 144 1 ? 13 HELX_P HELX_P17 AB8 PHE B 160 ? PHE B 164 ? PHE A 175 PHE A 179 1 ? 5 HELX_P HELX_P18 AB9 THR B 166 ? THR B 174 ? THR A 181 THR A 189 1 ? 9 HELX_P HELX_P19 AC1 GLU B 197 ? GLY B 201 ? GLU A 212 GLY A 216 5 ? 5 HELX_P HELX_P20 AC2 ASN B 204 ? GLU B 214 ? ASN A 219 GLU A 229 1 ? 11 # _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 12 SG ? ? ? 1_555 A CYS 40 SG ? ? B CYS 27 B CYS 55 1_555 ? ? ? ? ? ? ? 2.048 ? disulf2 disulf ? ? A CYS 32 SG ? ? ? 1_555 A CYS 80 SG ? ? B CYS 47 B CYS 95 1_555 ? ? ? ? ? ? ? 2.052 ? disulf3 disulf ? ? A CYS 41 SG ? ? ? 1_555 A CYS 84 SG ? ? B CYS 56 B CYS 99 1_555 ? ? ? ? ? ? ? 2.043 ? disulf4 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 157 SG ? ? B CYS 79 B CYS 172 1_555 ? ? ? ? ? ? ? 2.084 ? disulf5 disulf ? ? A CYS 71 SG ? ? ? 1_555 A CYS 128 SG ? ? B CYS 86 B CYS 143 1_555 ? ? ? ? ? ? ? 2.055 ? disulf6 disulf ? ? A CYS 117 SG ? ? ? 1_555 A CYS 191 SG ? ? B CYS 132 B CYS 206 1_555 ? ? ? ? ? ? ? 2.056 ? disulf7 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 171 SG ? ? B CYS 136 B CYS 186 1_555 ? ? ? ? ? ? ? 2.026 ? disulf8 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 151 SG ? ? B CYS 149 B CYS 166 1_555 ? ? ? ? ? ? ? 2.082 ? disulf9 disulf ? ? B CYS 12 SG ? ? ? 1_555 B CYS 40 SG ? ? A CYS 27 A CYS 55 1_555 ? ? ? ? ? ? ? 2.077 ? disulf10 disulf ? ? B CYS 32 SG ? ? ? 1_555 B CYS 80 SG ? ? A CYS 47 A CYS 95 1_555 ? ? ? ? ? ? ? 2.049 ? disulf11 disulf ? ? B CYS 41 SG ? ? ? 1_555 B CYS 84 SG ? ? A CYS 56 A CYS 99 1_555 ? ? ? ? ? ? ? 2.062 ? disulf12 disulf ? ? B CYS 64 SG ? ? ? 1_555 B CYS 157 SG ? ? A CYS 79 A CYS 172 1_555 ? ? ? ? ? ? ? 2.065 ? disulf13 disulf ? ? B CYS 71 SG ? ? ? 1_555 B CYS 128 SG ? ? A CYS 86 A CYS 143 1_555 ? ? ? ? ? ? ? 2.072 ? disulf14 disulf ? ? B CYS 117 SG ? ? ? 1_555 B CYS 191 SG ? ? A CYS 132 A CYS 206 1_555 ? ? ? ? ? ? ? 2.084 ? disulf15 disulf ? ? B CYS 121 SG ? ? ? 1_555 B CYS 171 SG ? ? A CYS 136 A CYS 186 1_555 ? ? ? ? ? ? ? 2.073 ? disulf16 disulf ? ? B CYS 134 SG ? ? ? 1_555 B CYS 151 SG ? ? A CYS 149 A CYS 166 1_555 ? ? ? ? ? ? ? 2.107 ? covale1 covale one ? A ASN 58 ND2 ? ? ? 1_555 C NAG . C1 ? ? B ASN 73 B NAG 301 1_555 ? ? ? ? ? ? ? 1.415 ? covale2 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? B NAG 301 B NAG 302 1_555 ? ? ? ? ? ? ? 1.421 ? covale3 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? B NAG 302 B BMA 303 1_555 ? ? ? ? ? ? ? 1.424 ? covale4 covale one ? E BMA . O3 ? ? ? 1_555 F MAN . C1 ? ? B BMA 303 B MAN 304 1_555 ? ? ? ? ? ? ? 1.432 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? AA6 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? parallel AA6 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ILE A 92 ? GLN A 93 ? ILE B 107 GLN B 108 AA1 2 ARG A 110 ? VAL A 111 ? ARG B 125 VAL B 126 AA2 1 VAL A 114 ? LEU A 116 ? VAL B 129 LEU B 131 AA2 2 PHE A 179 ? ALA A 181 ? PHE B 194 ALA B 196 AA3 1 TYR A 132 ? THR A 133 ? TYR B 147 THR B 148 AA3 2 LEU A 158 ? PRO A 159 ? LEU B 173 PRO B 174 AA4 1 ILE B 92 ? GLN B 93 ? ILE A 107 GLN A 108 AA4 2 ARG B 110 ? VAL B 111 ? ARG A 125 VAL A 126 AA5 1 VAL B 114 ? LEU B 116 ? VAL A 129 LEU A 131 AA5 2 PHE B 179 ? ALA B 181 ? PHE A 194 ALA A 196 AA6 1 TYR B 132 ? THR B 133 ? TYR A 147 THR A 148 AA6 2 LEU B 158 ? PRO B 159 ? LEU A 173 PRO A 174 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N GLN A 93 ? N GLN B 108 O ARG A 110 ? O ARG B 125 AA2 1 2 N VAL A 114 ? N VAL B 129 O LYS A 180 ? O LYS B 195 AA3 1 2 N THR A 133 ? N THR B 148 O LEU A 158 ? O LEU B 173 AA4 1 2 N GLN B 93 ? N GLN A 108 O ARG B 110 ? O ARG A 125 AA5 1 2 N LEU B 116 ? N LEU A 131 O LYS B 180 ? O LYS A 195 AA6 1 2 N THR B 133 ? N THR A 148 O LEU B 158 ? O LEU A 173 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software B CL 305 ? 5 'binding site for residue CL B 305' AC2 Software A CL 301 ? 5 'binding site for residue CL A 301' AC3 Software A CL 302 ? 4 'binding site for residue CL A 302' AC4 Software B ASN 73 ? 9 'binding site for Poly-Saccharide residues NAG B 301 through MAN B 304 bound to ASN B 73' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 TRP A 35 ? TRP B 50 . ? 1_555 ? 2 AC1 5 SER A 85 ? SER B 100 . ? 1_555 ? 3 AC1 5 ASN A 87 ? ASN B 102 . ? 1_555 ? 4 AC1 5 ASN A 202 ? ASN B 217 . ? 1_555 ? 5 AC1 5 ASN A 204 ? ASN B 219 . ? 1_555 ? 6 AC2 5 TRP B 35 ? TRP A 50 . ? 1_555 ? 7 AC2 5 SER B 85 ? SER A 100 . ? 1_555 ? 8 AC2 5 ASN B 87 ? ASN A 102 . ? 1_555 ? 9 AC2 5 ASN B 202 ? ASN A 217 . ? 1_555 ? 10 AC2 5 ASN B 204 ? ASN A 219 . ? 1_555 ? 11 AC3 4 PRO B 69 ? PRO A 84 . ? 1_555 ? 12 AC3 4 ARG B 72 ? ARG A 87 . ? 1_555 ? 13 AC3 4 PRO A 69 ? PRO B 84 . ? 1_555 ? 14 AC3 4 ARG A 72 ? ARG B 87 . ? 1_555 ? 15 AC4 9 LYS A 16 ? LYS B 31 . ? 1_555 ? 16 AC4 9 ASP A 26 ? ASP B 41 . ? 6_545 ? 17 AC4 9 LYS A 36 ? LYS B 51 . ? 6_545 ? 18 AC4 9 PRO A 55 ? PRO B 70 . ? 1_555 ? 19 AC4 9 LEU A 56 ? LEU B 71 . ? 1_555 ? 20 AC4 9 ASN A 58 ? ASN B 73 . ? 1_555 ? 21 AC4 9 ASP A 143 ? ASP B 158 . ? 6_445 ? 22 AC4 9 SER A 145 ? SER B 160 . ? 6_445 ? 23 AC4 9 ARG A 150 ? ARG B 165 . ? 6_445 ? # _atom_sites.entry_id 5JKA _atom_sites.fract_transf_matrix[1][1] 0.019260 _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] 0.012340 _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] 0.004254 _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 CL 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 5 ? 5.775 -7.098 7.291 1.00 74.14 ? 20 GLY B N 1 ATOM 2 C CA . GLY A 1 5 ? 6.652 -6.164 6.525 1.00 75.14 ? 20 GLY B CA 1 ATOM 3 C C . GLY A 1 5 ? 7.113 -6.785 5.224 1.00 75.66 ? 20 GLY B C 1 ATOM 4 O O . GLY A 1 5 ? 6.508 -6.563 4.169 1.00 70.75 ? 20 GLY B O 1 ATOM 5 N N . ASP A 1 6 ? 8.170 -7.589 5.308 1.00 73.52 ? 21 ASP B N 1 ATOM 6 C CA . ASP A 1 6 ? 8.675 -8.319 4.141 1.00 73.59 ? 21 ASP B CA 1 ATOM 7 C C . ASP A 1 6 ? 7.678 -9.315 3.605 1.00 67.29 ? 21 ASP B C 1 ATOM 8 O O . ASP A 1 6 ? 7.741 -9.675 2.449 1.00 64.96 ? 21 ASP B O 1 ATOM 9 C CB . ASP A 1 6 ? 9.982 -9.054 4.456 1.00 79.39 ? 21 ASP B CB 1 ATOM 10 C CG . ASP A 1 6 ? 11.196 -8.286 4.012 1.00 84.61 ? 21 ASP B CG 1 ATOM 11 O OD1 . ASP A 1 6 ? 11.140 -7.037 4.002 1.00 87.51 ? 21 ASP B OD1 1 ATOM 12 O OD2 . ASP A 1 6 ? 12.208 -8.930 3.669 1.00 90.50 ? 21 ASP B OD2 1 ATOM 13 N N . GLU A 1 7 ? 6.773 -9.770 4.458 1.00 65.91 ? 22 GLU B N 1 ATOM 14 C CA . GLU A 1 7 ? 5.662 -10.633 4.049 1.00 70.41 ? 22 GLU B CA 1 ATOM 15 C C . GLU A 1 7 ? 4.768 -10.020 2.957 1.00 64.68 ? 22 GLU B C 1 ATOM 16 O O . GLU A 1 7 ? 4.120 -10.745 2.214 1.00 58.65 ? 22 GLU B O 1 ATOM 17 C CB . GLU A 1 7 ? 4.763 -10.946 5.251 1.00 75.28 ? 22 GLU B CB 1 ATOM 18 C CG . GLU A 1 7 ? 5.376 -11.851 6.315 1.00 84.92 ? 22 GLU B CG 1 ATOM 19 C CD . GLU A 1 7 ? 4.947 -11.478 7.732 1.00 92.32 ? 22 GLU B CD 1 ATOM 20 O OE1 . GLU A 1 7 ? 3.876 -10.850 7.893 1.00 96.39 ? 22 GLU B OE1 1 ATOM 21 O OE2 . GLU A 1 7 ? 5.700 -11.796 8.679 1.00 100.84 ? 22 GLU B OE2 1 ATOM 22 N N . LEU A 1 8 ? 4.717 -8.692 2.901 1.00 62.35 ? 23 LEU B N 1 ATOM 23 C CA . LEU A 1 8 ? 3.854 -7.976 1.971 1.00 59.74 ? 23 LEU B CA 1 ATOM 24 C C . LEU A 1 8 ? 4.528 -7.630 0.664 1.00 59.33 ? 23 LEU B C 1 ATOM 25 O O . LEU A 1 8 ? 3.874 -7.095 -0.219 1.00 56.33 ? 23 LEU B O 1 ATOM 26 C CB . LEU A 1 8 ? 3.355 -6.677 2.611 1.00 59.54 ? 23 LEU B CB 1 ATOM 27 C CG . LEU A 1 8 ? 2.677 -6.840 3.969 1.00 63.13 ? 23 LEU B CG 1 ATOM 28 C CD1 . LEU A 1 8 ? 2.279 -5.484 4.545 1.00 65.81 ? 23 LEU B CD1 1 ATOM 29 C CD2 . LEU A 1 8 ? 1.474 -7.768 3.869 1.00 63.19 ? 23 LEU B CD2 1 ATOM 30 N N . LEU A 1 9 ? 5.820 -7.917 0.517 1.00 60.57 ? 24 LEU B N 1 ATOM 31 C CA . LEU A 1 9 ? 6.531 -7.478 -0.674 1.00 56.54 ? 24 LEU B CA 1 ATOM 32 C C . LEU A 1 9 ? 6.759 -8.623 -1.619 1.00 52.91 ? 24 LEU B C 1 ATOM 33 O O . LEU A 1 9 ? 7.032 -9.741 -1.195 1.00 52.42 ? 24 LEU B O 1 ATOM 34 C CB . LEU A 1 9 ? 7.855 -6.829 -0.305 1.00 58.31 ? 24 LEU B CB 1 ATOM 35 C CG . LEU A 1 9 ? 7.775 -5.670 0.687 1.00 62.35 ? 24 LEU B CG 1 ATOM 36 C CD1 . LEU A 1 9 ? 9.180 -5.152 0.958 1.00 63.86 ? 24 LEU B CD1 1 ATOM 37 C CD2 . LEU A 1 9 ? 6.870 -4.547 0.196 1.00 61.58 ? 24 LEU B CD2 1 ATOM 38 N N . ASN A 1 10 ? 6.624 -8.336 -2.908 1.00 51.91 ? 25 ASN B N 1 ATOM 39 C CA . ASN A 1 10 ? 6.932 -9.307 -3.939 1.00 51.07 ? 25 ASN B CA 1 ATOM 40 C C . ASN A 1 10 ? 6.081 -10.565 -3.799 1.00 47.76 ? 25 ASN B C 1 ATOM 41 O O . ASN A 1 10 ? 6.589 -11.675 -3.720 1.00 46.40 ? 25 ASN B O 1 ATOM 42 C CB . ASN A 1 10 ? 8.420 -9.638 -3.883 1.00 54.56 ? 25 ASN B CB 1 ATOM 43 C CG . ASN A 1 10 ? 8.915 -10.231 -5.172 1.00 59.03 ? 25 ASN B CG 1 ATOM 44 O OD1 . ASN A 1 10 ? 9.106 -9.512 -6.142 1.00 59.71 ? 25 ASN B OD1 1 ATOM 45 N ND2 . ASN A 1 10 ? 9.101 -11.546 -5.203 1.00 60.86 ? 25 ASN B ND2 1 ATOM 46 N N . ILE A 1 11 ? 4.774 -10.368 -3.728 1.00 45.94 ? 26 ILE B N 1 ATOM 47 C CA . ILE A 1 11 ? 3.826 -11.469 -3.629 1.00 47.06 ? 26 ILE B CA 1 ATOM 48 C C . ILE A 1 11 ? 2.703 -11.236 -4.631 1.00 46.72 ? 26 ILE B C 1 ATOM 49 O O . ILE A 1 11 ? 2.533 -10.129 -5.126 1.00 46.40 ? 26 ILE B O 1 ATOM 50 C CB . ILE A 1 11 ? 3.254 -11.634 -2.201 1.00 48.59 ? 26 ILE B CB 1 ATOM 51 C CG1 . ILE A 1 11 ? 2.570 -10.344 -1.723 1.00 49.50 ? 26 ILE B CG1 1 ATOM 52 C CG2 . ILE A 1 11 ? 4.371 -12.039 -1.232 1.00 50.08 ? 26 ILE B CG2 1 ATOM 53 C CD1 . ILE A 1 11 ? 1.732 -10.507 -0.471 1.00 49.04 ? 26 ILE B CD1 1 ATOM 54 N N . CYS A 1 12 ? 1.956 -12.295 -4.918 1.00 46.16 ? 27 CYS B N 1 ATOM 55 C CA . CYS A 1 12 ? 0.788 -12.233 -5.789 1.00 45.13 ? 27 CYS B CA 1 ATOM 56 C C . CYS A 1 12 ? -0.414 -12.552 -4.951 1.00 44.88 ? 27 CYS B C 1 ATOM 57 O O . CYS A 1 12 ? -0.395 -13.496 -4.152 1.00 45.50 ? 27 CYS B O 1 ATOM 58 C CB . CYS A 1 12 ? 0.901 -13.252 -6.929 1.00 44.12 ? 27 CYS B CB 1 ATOM 59 S SG . CYS A 1 12 ? 2.403 -13.080 -7.925 1.00 44.93 ? 27 CYS B SG 1 ATOM 60 N N . MET A 1 13 ? -1.472 -11.770 -5.122 1.00 42.63 ? 28 MET B N 1 ATOM 61 C CA . MET A 1 13 ? -2.728 -12.087 -4.468 1.00 41.75 ? 28 MET B CA 1 ATOM 62 C C . MET A 1 13 ? -3.223 -13.434 -4.945 1.00 40.03 ? 28 MET B C 1 ATOM 63 O O . MET A 1 13 ? -2.977 -13.837 -6.093 1.00 37.79 ? 28 MET B O 1 ATOM 64 C CB . MET A 1 13 ? -3.812 -11.014 -4.737 1.00 42.19 ? 28 MET B CB 1 ATOM 65 C CG . MET A 1 13 ? -4.471 -11.064 -6.113 1.00 41.14 ? 28 MET B CG 1 ATOM 66 S SD . MET A 1 13 ? -5.729 -9.773 -6.334 1.00 42.22 ? 28 MET B SD 1 ATOM 67 C CE . MET A 1 13 ? -4.649 -8.423 -6.772 1.00 40.05 ? 28 MET B CE 1 ATOM 68 N N . ASN A 1 14 ? -3.968 -14.087 -4.068 1.00 42.81 ? 29 ASN B N 1 ATOM 69 C CA . ASN A 1 14 ? -4.616 -15.346 -4.365 1.00 44.55 ? 29 ASN B CA 1 ATOM 70 C C . ASN A 1 14 ? -5.974 -15.118 -5.051 1.00 47.74 ? 29 ASN B C 1 ATOM 71 O O . ASN A 1 14 ? -7.027 -15.267 -4.418 1.00 48.56 ? 29 ASN B O 1 ATOM 72 C CB . ASN A 1 14 ? -4.810 -16.150 -3.073 1.00 45.88 ? 29 ASN B CB 1 ATOM 73 C CG . ASN A 1 14 ? -3.504 -16.459 -2.353 1.00 48.62 ? 29 ASN B CG 1 ATOM 74 O OD1 . ASN A 1 14 ? -2.414 -16.351 -2.912 1.00 47.16 ? 29 ASN B OD1 1 ATOM 75 N ND2 . ASN A 1 14 ? -3.618 -16.848 -1.087 1.00 53.56 ? 29 ASN B ND2 1 ATOM 76 N N . ALA A 1 15 ? -5.944 -14.749 -6.334 1.00 45.35 ? 30 ALA B N 1 ATOM 77 C CA . ALA A 1 15 ? -7.156 -14.639 -7.163 1.00 46.19 ? 30 ALA B CA 1 ATOM 78 C C . ALA A 1 15 ? -7.060 -15.669 -8.280 1.00 48.87 ? 30 ALA B C 1 ATOM 79 O O . ALA A 1 15 ? -6.046 -16.365 -8.393 1.00 43.20 ? 30 ALA B O 1 ATOM 80 C CB . ALA A 1 15 ? -7.304 -13.229 -7.721 1.00 47.91 ? 30 ALA B CB 1 ATOM 81 N N . LYS A 1 16 ? -8.093 -15.805 -9.106 1.00 45.66 ? 31 LYS B N 1 ATOM 82 C CA . LYS A 1 16 ? -8.148 -17.020 -9.914 1.00 47.22 ? 31 LYS B CA 1 ATOM 83 C C . LYS A 1 16 ? -7.052 -17.207 -10.989 1.00 42.04 ? 31 LYS B C 1 ATOM 84 O O . LYS A 1 16 ? -6.752 -18.344 -11.303 1.00 41.04 ? 31 LYS B O 1 ATOM 85 C CB . LYS A 1 16 ? -9.543 -17.309 -10.465 1.00 52.08 ? 31 LYS B CB 1 ATOM 86 C CG . LYS A 1 16 ? -10.058 -16.370 -11.529 1.00 56.33 ? 31 LYS B CG 1 ATOM 87 C CD . LYS A 1 16 ? -11.237 -16.974 -12.291 1.00 62.34 ? 31 LYS B CD 1 ATOM 88 C CE . LYS A 1 16 ? -12.605 -16.524 -11.786 1.00 65.85 ? 31 LYS B CE 1 ATOM 89 N NZ . LYS A 1 16 ? -13.709 -17.354 -12.362 1.00 69.56 ? 31 LYS B NZ 1 ATOM 90 N N . HIS A 1 17 ? -6.455 -16.138 -11.523 1.00 37.74 ? 32 HIS B N 1 ATOM 91 C CA . HIS A 1 17 ? -5.448 -16.288 -12.604 1.00 38.83 ? 32 HIS B CA 1 ATOM 92 C C . HIS A 1 17 ? -4.009 -16.144 -12.119 1.00 36.05 ? 32 HIS B C 1 ATOM 93 O O . HIS A 1 17 ? -3.107 -16.613 -12.776 1.00 33.00 ? 32 HIS B O 1 ATOM 94 C CB . HIS A 1 17 ? -5.671 -15.298 -13.759 1.00 39.31 ? 32 HIS B CB 1 ATOM 95 C CG . HIS A 1 17 ? -7.103 -15.159 -14.164 1.00 41.99 ? 32 HIS B CG 1 ATOM 96 N ND1 . HIS A 1 17 ? -7.817 -16.195 -14.725 1.00 41.45 ? 32 HIS B ND1 1 ATOM 97 C CD2 . HIS A 1 17 ? -7.966 -14.121 -14.049 1.00 42.03 ? 32 HIS B CD2 1 ATOM 98 C CE1 . HIS A 1 17 ? -9.053 -15.796 -14.961 1.00 43.32 ? 32 HIS B CE1 1 ATOM 99 N NE2 . HIS A 1 17 ? -9.171 -14.541 -14.562 1.00 42.88 ? 32 HIS B NE2 1 ATOM 100 N N . HIS A 1 18 ? -3.796 -15.487 -10.990 1.00 35.16 ? 33 HIS B N 1 ATOM 101 C CA . HIS A 1 18 ? -2.454 -15.077 -10.616 1.00 37.78 ? 33 HIS B CA 1 ATOM 102 C C . HIS A 1 18 ? -1.513 -16.251 -10.463 1.00 36.69 ? 33 HIS B C 1 ATOM 103 O O . HIS A 1 18 ? -1.908 -17.334 -10.021 1.00 34.56 ? 33 HIS B O 1 ATOM 104 C CB . HIS A 1 18 ? -2.461 -14.302 -9.312 1.00 39.92 ? 33 HIS B CB 1 ATOM 105 C CG . HIS A 1 18 ? -2.949 -12.905 -9.459 1.00 40.88 ? 33 HIS B CG 1 ATOM 106 N ND1 . HIS A 1 18 ? -4.262 -12.605 -9.726 1.00 40.53 ? 33 HIS B ND1 1 ATOM 107 C CD2 . HIS A 1 18 ? -2.296 -11.725 -9.398 1.00 41.54 ? 33 HIS B CD2 1 ATOM 108 C CE1 . HIS A 1 18 ? -4.404 -11.298 -9.796 1.00 41.54 ? 33 HIS B CE1 1 ATOM 109 N NE2 . HIS A 1 18 ? -3.227 -10.739 -9.599 1.00 40.64 ? 33 HIS B NE2 1 ATOM 110 N N . LYS A 1 19 ? -0.264 -16.019 -10.855 1.00 37.35 ? 34 LYS B N 1 ATOM 111 C CA . LYS A 1 19 ? 0.811 -16.954 -10.573 1.00 37.19 ? 34 LYS B CA 1 ATOM 112 C C . LYS A 1 19 ? 0.997 -17.051 -9.057 1.00 38.31 ? 34 LYS B C 1 ATOM 113 O O . LYS A 1 19 ? 0.771 -16.083 -8.333 1.00 37.85 ? 34 LYS B O 1 ATOM 114 C CB . LYS A 1 19 ? 2.104 -16.501 -11.242 1.00 38.16 ? 34 LYS B CB 1 ATOM 115 C CG . LYS A 1 19 ? 2.021 -16.550 -12.759 1.00 38.56 ? 34 LYS B CG 1 ATOM 116 C CD . LYS A 1 19 ? 3.381 -16.525 -13.415 1.00 44.00 ? 34 LYS B CD 1 ATOM 117 C CE . LYS A 1 19 ? 4.022 -15.158 -13.365 1.00 45.94 ? 34 LYS B CE 1 ATOM 118 N NZ . LYS A 1 19 ? 5.517 -15.275 -13.357 1.00 43.74 ? 34 LYS B NZ 1 ATOM 119 N N . ARG A 1 20 ? 1.383 -18.233 -8.600 1.00 37.99 ? 35 ARG B N 1 ATOM 120 C CA . ARG A 1 20 ? 1.611 -18.506 -7.178 1.00 39.48 ? 35 ARG B CA 1 ATOM 121 C C . ARG A 1 20 ? 2.604 -17.505 -6.618 1.00 39.03 ? 35 ARG B C 1 ATOM 122 O O . ARG A 1 20 ? 2.399 -16.910 -5.565 1.00 41.80 ? 35 ARG B O 1 ATOM 123 C CB . ARG A 1 20 ? 2.117 -19.943 -7.010 1.00 42.00 ? 35 ARG B CB 1 ATOM 124 C CG . ARG A 1 20 ? 1.554 -20.701 -5.812 1.00 47.56 ? 35 ARG B CG 1 ATOM 125 C CD . ARG A 1 20 ? 2.603 -20.997 -4.788 1.00 46.09 ? 35 ARG B CD 1 ATOM 126 N NE . ARG A 1 20 ? 3.755 -21.606 -5.433 1.00 51.65 ? 35 ARG B NE 1 ATOM 127 C CZ . ARG A 1 20 ? 4.995 -21.578 -4.964 1.00 54.26 ? 35 ARG B CZ 1 ATOM 128 N NH1 . ARG A 1 20 ? 5.957 -22.157 -5.665 1.00 56.38 ? 35 ARG B NH1 1 ATOM 129 N NH2 . ARG A 1 20 ? 5.285 -20.996 -3.798 1.00 58.32 ? 35 ARG B NH2 1 ATOM 130 N N . VAL A 1 21 ? 3.660 -17.281 -7.370 1.00 38.86 ? 36 VAL B N 1 ATOM 131 C CA . VAL A 1 21 ? 4.712 -16.397 -6.956 1.00 43.90 ? 36 VAL B CA 1 ATOM 132 C C . VAL A 1 21 ? 5.151 -15.572 -8.168 1.00 42.18 ? 36 VAL B C 1 ATOM 133 O O . VAL A 1 21 ? 5.129 -16.080 -9.295 1.00 43.23 ? 36 VAL B O 1 ATOM 134 C CB . VAL A 1 21 ? 5.839 -17.275 -6.323 1.00 47.31 ? 36 VAL B CB 1 ATOM 135 C CG1 . VAL A 1 21 ? 7.213 -17.045 -6.937 1.00 48.19 ? 36 VAL B CG1 1 ATOM 136 C CG2 . VAL A 1 21 ? 5.836 -17.120 -4.817 1.00 46.82 ? 36 VAL B CG2 1 ATOM 137 N N . PRO A 1 22 ? 5.562 -14.307 -7.945 1.00 42.85 ? 37 PRO B N 1 ATOM 138 C CA . PRO A 1 22 ? 6.019 -13.516 -9.087 1.00 42.71 ? 37 PRO B CA 1 ATOM 139 C C . PRO A 1 22 ? 7.303 -14.055 -9.667 1.00 45.37 ? 37 PRO B C 1 ATOM 140 O O . PRO A 1 22 ? 8.107 -14.633 -8.933 1.00 43.47 ? 37 PRO B O 1 ATOM 141 C CB . PRO A 1 22 ? 6.271 -12.118 -8.507 1.00 43.15 ? 37 PRO B CB 1 ATOM 142 C CG . PRO A 1 22 ? 6.019 -12.193 -7.054 1.00 44.38 ? 37 PRO B CG 1 ATOM 143 C CD . PRO A 1 22 ? 5.756 -13.608 -6.664 1.00 44.16 ? 37 PRO B CD 1 ATOM 144 N N . SER A 1 23 ? 7.495 -13.863 -10.969 1.00 43.60 ? 38 SER B N 1 ATOM 145 C CA . SER A 1 23 ? 8.774 -14.195 -11.607 1.00 45.74 ? 38 SER B CA 1 ATOM 146 C C . SER A 1 23 ? 8.866 -13.527 -12.962 1.00 45.57 ? 38 SER B C 1 ATOM 147 O O . SER A 1 23 ? 7.823 -13.204 -13.560 1.00 43.67 ? 38 SER B O 1 ATOM 148 C CB . SER A 1 23 ? 8.955 -15.705 -11.769 1.00 45.43 ? 38 SER B CB 1 ATOM 149 O OG . SER A 1 23 ? 7.931 -16.250 -12.582 1.00 44.88 ? 38 SER B OG 1 ATOM 150 N N . PRO A 1 24 ? 10.107 -13.318 -13.454 1.00 46.11 ? 39 PRO B N 1 ATOM 151 C CA . PRO A 1 24 ? 10.262 -12.710 -14.774 1.00 45.31 ? 39 PRO B CA 1 ATOM 152 C C . PRO A 1 24 ? 9.518 -13.482 -15.863 1.00 43.90 ? 39 PRO B C 1 ATOM 153 O O . PRO A 1 24 ? 9.404 -14.709 -15.783 1.00 45.46 ? 39 PRO B O 1 ATOM 154 C CB . PRO A 1 24 ? 11.785 -12.745 -15.016 1.00 46.90 ? 39 PRO B CB 1 ATOM 155 C CG . PRO A 1 24 ? 12.402 -12.893 -13.658 1.00 46.91 ? 39 PRO B CG 1 ATOM 156 C CD . PRO A 1 24 ? 11.415 -13.656 -12.836 1.00 46.74 ? 39 PRO B CD 1 ATOM 157 N N . GLU A 1 25 ? 8.986 -12.760 -16.846 1.00 42.08 ? 40 GLU B N 1 ATOM 158 C CA . GLU A 1 25 ? 8.314 -13.376 -17.993 1.00 40.19 ? 40 GLU B CA 1 ATOM 159 C C . GLU A 1 25 ? 9.063 -13.011 -19.278 1.00 42.22 ? 40 GLU B C 1 ATOM 160 O O . GLU A 1 25 ? 9.275 -11.826 -19.594 1.00 40.90 ? 40 GLU B O 1 ATOM 161 C CB . GLU A 1 25 ? 6.846 -12.942 -18.065 1.00 39.78 ? 40 GLU B CB 1 ATOM 162 C CG . GLU A 1 25 ? 5.926 -13.591 -17.014 1.00 38.18 ? 40 GLU B CG 1 ATOM 163 C CD . GLU A 1 25 ? 5.757 -15.103 -17.164 1.00 36.32 ? 40 GLU B CD 1 ATOM 164 O OE1 . GLU A 1 25 ? 5.445 -15.762 -16.159 1.00 36.08 ? 40 GLU B OE1 1 ATOM 165 O OE2 . GLU A 1 25 ? 5.934 -15.648 -18.273 1.00 36.26 ? 40 GLU B OE2 1 ATOM 166 N N . ASP A 1 26 ? 9.478 -14.045 -20.003 1.00 41.70 ? 41 ASP B N 1 ATOM 167 C CA . ASP A 1 26 ? 10.243 -13.869 -21.226 1.00 46.52 ? 41 ASP B CA 1 ATOM 168 C C . ASP A 1 26 ? 9.446 -13.019 -22.202 1.00 48.18 ? 41 ASP B C 1 ATOM 169 O O . ASP A 1 26 ? 10.018 -12.189 -22.897 1.00 46.30 ? 41 ASP B O 1 ATOM 170 C CB . ASP A 1 26 ? 10.621 -15.228 -21.842 1.00 46.29 ? 41 ASP B CB 1 ATOM 171 C CG . ASP A 1 26 ? 11.599 -16.041 -20.946 1.00 48.97 ? 41 ASP B CG 1 ATOM 172 O OD1 . ASP A 1 26 ? 12.200 -15.468 -20.011 1.00 49.37 ? 41 ASP B OD1 1 ATOM 173 O OD2 . ASP A 1 26 ? 11.769 -17.259 -21.170 1.00 50.12 ? 41 ASP B OD2 1 ATOM 174 N N . LYS A 1 27 ? 8.125 -13.204 -22.209 1.00 47.75 ? 42 LYS B N 1 ATOM 175 C CA . LYS A 1 27 ? 7.233 -12.420 -23.051 1.00 46.88 ? 42 LYS B CA 1 ATOM 176 C C . LYS A 1 27 ? 5.901 -12.103 -22.372 1.00 43.71 ? 42 LYS B C 1 ATOM 177 O O . LYS A 1 27 ? 5.242 -12.987 -21.814 1.00 42.15 ? 42 LYS B O 1 ATOM 178 C CB . LYS A 1 27 ? 6.951 -13.162 -24.360 1.00 47.20 ? 42 LYS B CB 1 ATOM 179 C CG . LYS A 1 27 ? 6.192 -12.298 -25.361 1.00 49.85 ? 42 LYS B CG 1 ATOM 180 C CD . LYS A 1 27 ? 5.897 -12.998 -26.679 1.00 53.86 ? 42 LYS B CD 1 ATOM 181 C CE . LYS A 1 27 ? 5.091 -12.074 -27.591 1.00 55.06 ? 42 LYS B CE 1 ATOM 182 N NZ . LYS A 1 27 ? 4.458 -12.810 -28.706 1.00 58.82 ? 42 LYS B NZ 1 ATOM 183 N N . LEU A 1 28 ? 5.516 -10.831 -22.428 1.00 43.08 ? 43 LEU B N 1 ATOM 184 C CA . LEU A 1 28 ? 4.150 -10.414 -22.121 1.00 39.42 ? 43 LEU B CA 1 ATOM 185 C C . LEU A 1 28 ? 3.650 -9.551 -23.265 1.00 41.67 ? 43 LEU B C 1 ATOM 186 O O . LEU A 1 28 ? 4.414 -8.850 -23.937 1.00 37.09 ? 43 LEU B O 1 ATOM 187 C CB . LEU A 1 28 ? 4.063 -9.610 -20.830 1.00 38.63 ? 43 LEU B CB 1 ATOM 188 C CG . LEU A 1 28 ? 4.429 -10.298 -19.520 1.00 38.90 ? 43 LEU B CG 1 ATOM 189 C CD1 . LEU A 1 28 ? 4.392 -9.293 -18.371 1.00 38.83 ? 43 LEU B CD1 1 ATOM 190 C CD2 . LEU A 1 28 ? 3.502 -11.480 -19.266 1.00 37.08 ? 43 LEU B CD2 1 ATOM 191 N N . TYR A 1 29 ? 2.336 -9.566 -23.421 1.00 39.53 ? 44 TYR B N 1 ATOM 192 C CA . TYR A 1 29 ? 1.698 -8.957 -24.545 1.00 39.12 ? 44 TYR B CA 1 ATOM 193 C C . TYR A 1 29 ? 1.501 -7.457 -24.348 1.00 39.14 ? 44 TYR B C 1 ATOM 194 O O . TYR A 1 29 ? 0.994 -6.999 -23.318 1.00 37.28 ? 44 TYR B O 1 ATOM 195 C CB . TYR A 1 29 ? 0.366 -9.637 -24.789 1.00 40.93 ? 44 TYR B CB 1 ATOM 196 C CG . TYR A 1 29 ? 0.021 -9.601 -26.217 1.00 45.71 ? 44 TYR B CG 1 ATOM 197 C CD1 . TYR A 1 29 ? 0.673 -10.456 -27.107 1.00 49.01 ? 44 TYR B CD1 1 ATOM 198 C CD2 . TYR A 1 29 ? -0.916 -8.688 -26.716 1.00 49.62 ? 44 TYR B CD2 1 ATOM 199 C CE1 . TYR A 1 29 ? 0.381 -10.442 -28.454 1.00 50.08 ? 44 TYR B CE1 1 ATOM 200 C CE2 . TYR A 1 29 ? -1.222 -8.663 -28.079 1.00 50.42 ? 44 TYR B CE2 1 ATOM 201 C CZ . TYR A 1 29 ? -0.559 -9.537 -28.941 1.00 52.13 ? 44 TYR B CZ 1 ATOM 202 O OH . TYR A 1 29 ? -0.806 -9.558 -30.295 1.00 53.98 ? 44 TYR B OH 1 ATOM 203 N N . GLU A 1 30 ? 1.988 -6.712 -25.323 1.00 38.47 ? 45 GLU B N 1 ATOM 204 C CA . GLU A 1 30 ? 1.710 -5.287 -25.493 1.00 40.42 ? 45 GLU B CA 1 ATOM 205 C C . GLU A 1 30 ? 1.638 -4.432 -24.209 1.00 38.35 ? 45 GLU B C 1 ATOM 206 O O . GLU A 1 30 ? 2.672 -4.096 -23.638 1.00 34.47 ? 45 GLU B O 1 ATOM 207 C CB . GLU A 1 30 ? 0.484 -5.145 -26.413 1.00 47.60 ? 45 GLU B CB 1 ATOM 208 C CG . GLU A 1 30 ? 0.713 -5.706 -27.820 1.00 51.24 ? 45 GLU B CG 1 ATOM 209 C CD . GLU A 1 30 ? 1.756 -4.911 -28.607 1.00 56.33 ? 45 GLU B CD 1 ATOM 210 O OE1 . GLU A 1 30 ? 2.936 -5.343 -28.676 1.00 57.57 ? 45 GLU B OE1 1 ATOM 211 O OE2 . GLU A 1 30 ? 1.401 -3.842 -29.139 1.00 57.66 ? 45 GLU B OE2 1 ATOM 212 N N . GLU A 1 31 ? 0.450 -4.048 -23.771 1.00 35.65 ? 46 GLU B N 1 ATOM 213 C CA . GLU A 1 31 ? 0.293 -3.196 -22.598 1.00 37.19 ? 46 GLU B CA 1 ATOM 214 C C . GLU A 1 31 ? 0.856 -3.763 -21.300 1.00 37.82 ? 46 GLU B C 1 ATOM 215 O O . GLU A 1 31 ? 1.102 -2.991 -20.380 1.00 37.51 ? 46 GLU B O 1 ATOM 216 C CB . GLU A 1 31 ? -1.194 -2.829 -22.352 1.00 37.09 ? 46 GLU B CB 1 ATOM 217 C CG . GLU A 1 31 ? -1.893 -2.045 -23.456 1.00 38.17 ? 46 GLU B CG 1 ATOM 218 C CD . GLU A 1 31 ? -1.186 -0.764 -23.864 1.00 38.76 ? 46 GLU B CD 1 ATOM 219 O OE1 . GLU A 1 31 ? -0.528 -0.119 -23.011 1.00 38.59 ? 46 GLU B OE1 1 ATOM 220 O OE2 . GLU A 1 31 ? -1.271 -0.423 -25.057 1.00 40.69 ? 46 GLU B OE2 1 ATOM 221 N N . CYS A 1 32 ? 1.026 -5.082 -21.199 1.00 35.92 ? 47 CYS B N 1 ATOM 222 C CA . CYS A 1 32 ? 1.532 -5.679 -19.959 1.00 36.99 ? 47 CYS B CA 1 ATOM 223 C C . CYS A 1 32 ? 3.056 -5.787 -19.949 1.00 39.92 ? 47 CYS B C 1 ATOM 224 O O . CYS A 1 32 ? 3.632 -6.239 -18.963 1.00 39.63 ? 47 CYS B O 1 ATOM 225 C CB . CYS A 1 32 ? 0.932 -7.063 -19.726 1.00 37.32 ? 47 CYS B CB 1 ATOM 226 S SG . CYS A 1 32 ? -0.892 -7.198 -19.654 1.00 34.27 ? 47 CYS B SG 1 ATOM 227 N N . ILE A 1 33 ? 3.703 -5.349 -21.021 1.00 40.36 ? 48 ILE B N 1 ATOM 228 C CA . ILE A 1 33 ? 5.166 -5.411 -21.134 1.00 42.80 ? 48 ILE B CA 1 ATOM 229 C C . ILE A 1 33 ? 5.919 -4.830 -19.926 1.00 41.62 ? 48 ILE B C 1 ATOM 230 O O . ILE A 1 33 ? 6.901 -5.427 -19.489 1.00 43.20 ? 48 ILE B O 1 ATOM 231 C CB . ILE A 1 33 ? 5.647 -4.810 -22.481 1.00 42.09 ? 48 ILE B CB 1 ATOM 232 C CG1 . ILE A 1 33 ? 5.397 -5.858 -23.580 1.00 43.40 ? 48 ILE B CG1 1 ATOM 233 C CG2 . ILE A 1 33 ? 7.138 -4.423 -22.444 1.00 43.42 ? 48 ILE B CG2 1 ATOM 234 C CD1 . ILE A 1 33 ? 5.582 -5.383 -25.005 1.00 43.56 ? 48 ILE B CD1 1 ATOM 235 N N . PRO A 1 34 ? 5.439 -3.702 -19.359 1.00 41.58 ? 49 PRO B N 1 ATOM 236 C CA . PRO A 1 34 ? 6.139 -3.123 -18.218 1.00 41.44 ? 49 PRO B CA 1 ATOM 237 C C . PRO A 1 34 ? 6.436 -4.058 -17.037 1.00 42.06 ? 49 PRO B C 1 ATOM 238 O O . PRO A 1 34 ? 7.420 -3.846 -16.355 1.00 41.20 ? 49 PRO B O 1 ATOM 239 C CB . PRO A 1 34 ? 5.190 -1.999 -17.771 1.00 39.68 ? 49 PRO B CB 1 ATOM 240 C CG . PRO A 1 34 ? 4.523 -1.582 -19.033 1.00 38.50 ? 49 PRO B CG 1 ATOM 241 C CD . PRO A 1 34 ? 4.263 -2.883 -19.719 1.00 38.37 ? 49 PRO B CD 1 ATOM 242 N N . TRP A 1 35 ? 5.619 -5.084 -16.822 1.00 40.29 ? 50 TRP B N 1 ATOM 243 C CA . TRP A 1 35 ? 5.799 -5.981 -15.691 1.00 39.68 ? 50 TRP B CA 1 ATOM 244 C C . TRP A 1 35 ? 6.691 -7.197 -15.968 1.00 40.20 ? 50 TRP B C 1 ATOM 245 O O . TRP A 1 35 ? 6.907 -7.998 -15.074 1.00 41.84 ? 50 TRP B O 1 ATOM 246 C CB . TRP A 1 35 ? 4.427 -6.414 -15.168 1.00 38.79 ? 50 TRP B CB 1 ATOM 247 C CG . TRP A 1 35 ? 3.706 -5.253 -14.564 1.00 38.30 ? 50 TRP B CG 1 ATOM 248 C CD1 . TRP A 1 35 ? 3.810 -4.802 -13.276 1.00 39.10 ? 50 TRP B CD1 1 ATOM 249 C CD2 . TRP A 1 35 ? 2.836 -4.345 -15.240 1.00 37.66 ? 50 TRP B CD2 1 ATOM 250 N NE1 . TRP A 1 35 ? 3.027 -3.688 -13.100 1.00 40.61 ? 50 TRP B NE1 1 ATOM 251 C CE2 . TRP A 1 35 ? 2.419 -3.383 -14.295 1.00 39.12 ? 50 TRP B CE2 1 ATOM 252 C CE3 . TRP A 1 35 ? 2.357 -4.257 -16.553 1.00 37.74 ? 50 TRP B CE3 1 ATOM 253 C CZ2 . TRP A 1 35 ? 1.541 -2.346 -14.623 1.00 38.80 ? 50 TRP B CZ2 1 ATOM 254 C CZ3 . TRP A 1 35 ? 1.477 -3.226 -16.881 1.00 37.49 ? 50 TRP B CZ3 1 ATOM 255 C CH2 . TRP A 1 35 ? 1.076 -2.292 -15.923 1.00 38.65 ? 50 TRP B CH2 1 ATOM 256 N N . LYS A 1 36 ? 7.251 -7.317 -17.166 1.00 39.78 ? 51 LYS B N 1 ATOM 257 C CA . LYS A 1 36 ? 7.932 -8.565 -17.553 1.00 42.05 ? 51 LYS B CA 1 ATOM 258 C C . LYS A 1 36 ? 9.226 -8.906 -16.755 1.00 43.78 ? 51 LYS B C 1 ATOM 259 O O . LYS A 1 36 ? 9.616 -10.077 -16.698 1.00 41.00 ? 51 LYS B O 1 ATOM 260 C CB . LYS A 1 36 ? 8.168 -8.597 -19.070 1.00 42.82 ? 51 LYS B CB 1 ATOM 261 C CG . LYS A 1 36 ? 9.301 -7.717 -19.579 1.00 44.83 ? 51 LYS B CG 1 ATOM 262 C CD . LYS A 1 36 ? 9.290 -7.602 -21.099 1.00 47.17 ? 51 LYS B CD 1 ATOM 263 C CE . LYS A 1 36 ? 9.471 -8.946 -21.805 1.00 49.36 ? 51 LYS B CE 1 ATOM 264 N NZ . LYS A 1 36 ? 10.646 -9.716 -21.298 1.00 52.42 ? 51 LYS B NZ 1 ATOM 265 N N . ASP A 1 37 ? 9.862 -7.907 -16.132 1.00 45.40 ? 52 ASP B N 1 ATOM 266 C CA . ASP A 1 37 ? 10.974 -8.145 -15.194 1.00 49.25 ? 52 ASP B CA 1 ATOM 267 C C . ASP A 1 37 ? 10.560 -9.034 -14.043 1.00 49.01 ? 52 ASP B C 1 ATOM 268 O O . ASP A 1 37 ? 11.372 -9.789 -13.534 1.00 48.54 ? 52 ASP B O 1 ATOM 269 C CB . ASP A 1 37 ? 11.473 -6.847 -14.549 1.00 55.13 ? 52 ASP B CB 1 ATOM 270 C CG . ASP A 1 37 ? 12.130 -5.904 -15.530 1.00 60.47 ? 52 ASP B CG 1 ATOM 271 O OD1 . ASP A 1 37 ? 12.598 -6.346 -16.598 1.00 70.03 ? 52 ASP B OD1 1 ATOM 272 O OD2 . ASP A 1 37 ? 12.183 -4.695 -15.218 1.00 72.52 ? 52 ASP B OD2 1 ATOM 273 N N . ASN A 1 38 ? 9.319 -8.878 -13.580 1.00 45.87 ? 53 ASN B N 1 ATOM 274 C CA . ASN A 1 38 ? 8.821 -9.635 -12.437 1.00 43.66 ? 53 ASN B CA 1 ATOM 275 C C . ASN A 1 38 ? 7.285 -9.528 -12.321 1.00 42.55 ? 53 ASN B C 1 ATOM 276 O O . ASN A 1 38 ? 6.762 -8.518 -11.860 1.00 42.19 ? 53 ASN B O 1 ATOM 277 C CB . ASN A 1 38 ? 9.508 -9.118 -11.164 1.00 43.59 ? 53 ASN B CB 1 ATOM 278 C CG . ASN A 1 38 ? 9.180 -9.943 -9.950 1.00 44.78 ? 53 ASN B CG 1 ATOM 279 O OD1 . ASN A 1 38 ? 9.132 -11.165 -10.012 1.00 46.29 ? 53 ASN B OD1 1 ATOM 280 N ND2 . ASN A 1 38 ? 8.957 -9.281 -8.835 1.00 46.27 ? 53 ASN B ND2 1 ATOM 281 N N . ALA A 1 39 ? 6.573 -10.571 -12.739 1.00 42.24 ? 54 ALA B N 1 ATOM 282 C CA . ALA A 1 39 ? 5.132 -10.485 -12.958 1.00 41.57 ? 54 ALA B CA 1 ATOM 283 C C . ALA A 1 39 ? 4.387 -11.576 -12.235 1.00 40.46 ? 54 ALA B C 1 ATOM 284 O O . ALA A 1 39 ? 4.907 -12.680 -12.082 1.00 37.68 ? 54 ALA B O 1 ATOM 285 C CB . ALA A 1 39 ? 4.826 -10.582 -14.449 1.00 43.16 ? 54 ALA B CB 1 ATOM 286 N N . CYS A 1 40 ? 3.154 -11.254 -11.835 1.00 36.55 ? 55 CYS B N 1 ATOM 287 C CA . CYS A 1 40 ? 2.184 -12.224 -11.337 1.00 36.23 ? 55 CYS B CA 1 ATOM 288 C C . CYS A 1 40 ? 1.263 -12.766 -12.440 1.00 35.24 ? 55 CYS B C 1 ATOM 289 O O . CYS A 1 40 ? 0.449 -13.648 -12.173 1.00 32.48 ? 55 CYS B O 1 ATOM 290 C CB . CYS A 1 40 ? 1.311 -11.584 -10.255 1.00 38.95 ? 55 CYS B CB 1 ATOM 291 S SG . CYS A 1 40 ? 2.183 -11.212 -8.736 1.00 42.74 ? 55 CYS B SG 1 ATOM 292 N N . CYS A 1 41 ? 1.384 -12.238 -13.661 1.00 34.95 ? 56 CYS B N 1 ATOM 293 C CA . CYS A 1 41 ? 0.613 -12.726 -14.808 1.00 34.97 ? 56 CYS B CA 1 ATOM 294 C C . CYS A 1 41 ? 1.449 -13.580 -15.767 1.00 33.98 ? 56 CYS B C 1 ATOM 295 O O . CYS A 1 41 ? 2.624 -13.287 -16.020 1.00 32.69 ? 56 CYS B O 1 ATOM 296 C CB . CYS A 1 41 ? 0.013 -11.558 -15.587 1.00 33.74 ? 56 CYS B CB 1 ATOM 297 S SG . CYS A 1 41 ? 1.237 -10.416 -16.249 1.00 37.38 ? 56 CYS B SG 1 ATOM 298 N N . THR A 1 42 ? 0.818 -14.619 -16.300 1.00 31.96 ? 57 THR B N 1 ATOM 299 C CA . THR A 1 42 ? 1.375 -15.413 -17.376 1.00 33.68 ? 57 THR B CA 1 ATOM 300 C C . THR A 1 42 ? 1.186 -14.703 -18.724 1.00 35.23 ? 57 THR B C 1 ATOM 301 O O . THR A 1 42 ? 0.419 -13.722 -18.853 1.00 35.22 ? 57 THR B O 1 ATOM 302 C CB . THR A 1 42 ? 0.662 -16.770 -17.480 1.00 33.59 ? 57 THR B CB 1 ATOM 303 O OG1 . THR A 1 42 ? -0.738 -16.538 -17.647 1.00 31.12 ? 57 THR B OG1 1 ATOM 304 C CG2 . THR A 1 42 ? 0.886 -17.624 -16.219 1.00 33.12 ? 57 THR B CG2 1 ATOM 305 N N . LEU A 1 43 ? 1.866 -15.229 -19.730 1.00 35.60 ? 58 LEU B N 1 ATOM 306 C CA . LEU A 1 43 ? 1.707 -14.766 -21.095 1.00 34.71 ? 58 LEU B CA 1 ATOM 307 C C . LEU A 1 43 ? 0.241 -14.849 -21.519 1.00 33.09 ? 58 LEU B C 1 ATOM 308 O O . LEU A 1 43 ? -0.309 -13.881 -22.046 1.00 32.93 ? 58 LEU B O 1 ATOM 309 C CB . LEU A 1 43 ? 2.598 -15.578 -22.039 1.00 36.44 ? 58 LEU B CB 1 ATOM 310 C CG . LEU A 1 43 ? 2.449 -15.260 -23.535 1.00 38.70 ? 58 LEU B CG 1 ATOM 311 C CD1 . LEU A 1 43 ? 2.888 -13.824 -23.842 1.00 41.62 ? 58 LEU B CD1 1 ATOM 312 C CD2 . LEU A 1 43 ? 3.238 -16.260 -24.357 1.00 41.42 ? 58 LEU B CD2 1 ATOM 313 N N . THR A 1 44 ? -0.399 -15.991 -21.260 1.00 33.32 ? 59 THR B N 1 ATOM 314 C CA . THR A 1 44 ? -1.789 -16.190 -21.655 1.00 33.68 ? 59 THR B CA 1 ATOM 315 C C . THR A 1 44 ? -2.678 -15.137 -21.014 1.00 34.52 ? 59 THR B C 1 ATOM 316 O O . THR A 1 44 ? -3.572 -14.600 -21.671 1.00 32.29 ? 59 THR B O 1 ATOM 317 C CB . THR A 1 44 ? -2.315 -17.594 -21.266 1.00 36.00 ? 59 THR B CB 1 ATOM 318 O OG1 . THR A 1 44 ? -1.536 -18.588 -21.935 1.00 34.72 ? 59 THR B OG1 1 ATOM 319 C CG2 . THR A 1 44 ? -3.787 -17.785 -21.661 1.00 34.36 ? 59 THR B CG2 1 ATOM 320 N N . THR A 1 45 ? -2.443 -14.854 -19.735 1.00 33.69 ? 60 THR B N 1 ATOM 321 C CA . THR A 1 45 ? -3.235 -13.836 -19.035 1.00 34.84 ? 60 THR B CA 1 ATOM 322 C C . THR A 1 45 ? -3.025 -12.469 -19.694 1.00 34.22 ? 60 THR B C 1 ATOM 323 O O . THR A 1 45 ? -3.992 -11.751 -19.927 1.00 31.45 ? 60 THR B O 1 ATOM 324 C CB . THR A 1 45 ? -2.910 -13.804 -17.529 1.00 34.40 ? 60 THR B CB 1 ATOM 325 O OG1 . THR A 1 45 ? -3.371 -15.023 -16.927 1.00 34.50 ? 60 THR B OG1 1 ATOM 326 C CG2 . THR A 1 45 ? -3.568 -12.645 -16.840 1.00 35.78 ? 60 THR B CG2 1 ATOM 327 N N . SER A 1 46 ? -1.776 -12.125 -20.025 1.00 32.82 ? 61 SER B N 1 ATOM 328 C CA . SER A 1 46 ? -1.504 -10.828 -20.649 1.00 31.69 ? 61 SER B CA 1 ATOM 329 C C . SER A 1 46 ? -2.206 -10.698 -22.019 1.00 32.95 ? 61 SER B C 1 ATOM 330 O O . SER A 1 46 ? -2.720 -9.640 -22.358 1.00 32.72 ? 61 SER B O 1 ATOM 331 C CB . SER A 1 46 ? -0.002 -10.575 -20.764 1.00 34.28 ? 61 SER B CB 1 ATOM 332 O OG . SER A 1 46 ? 0.616 -11.416 -21.730 1.00 35.34 ? 61 SER B OG 1 ATOM 333 N N . TRP A 1 47 ? -2.247 -11.793 -22.765 1.00 32.48 ? 62 TRP B N 1 ATOM 334 C CA . TRP A 1 47 ? -2.957 -11.865 -24.040 1.00 36.82 ? 62 TRP B CA 1 ATOM 335 C C . TRP A 1 47 ? -4.484 -11.687 -23.843 1.00 35.60 ? 62 TRP B C 1 ATOM 336 O O . TRP A 1 47 ? -5.106 -10.894 -24.533 1.00 33.57 ? 62 TRP B O 1 ATOM 337 C CB . TRP A 1 47 ? -2.622 -13.196 -24.756 1.00 39.23 ? 62 TRP B CB 1 ATOM 338 C CG . TRP A 1 47 ? -3.684 -13.710 -25.710 1.00 43.96 ? 62 TRP B CG 1 ATOM 339 C CD1 . TRP A 1 47 ? -4.772 -14.470 -25.400 1.00 44.43 ? 62 TRP B CD1 1 ATOM 340 C CD2 . TRP A 1 47 ? -3.719 -13.516 -27.115 1.00 45.66 ? 62 TRP B CD2 1 ATOM 341 N NE1 . TRP A 1 47 ? -5.508 -14.735 -26.524 1.00 47.78 ? 62 TRP B NE1 1 ATOM 342 C CE2 . TRP A 1 47 ? -4.879 -14.168 -27.598 1.00 49.41 ? 62 TRP B CE2 1 ATOM 343 C CE3 . TRP A 1 47 ? -2.890 -12.843 -28.017 1.00 48.65 ? 62 TRP B CE3 1 ATOM 344 C CZ2 . TRP A 1 47 ? -5.222 -14.183 -28.950 1.00 51.88 ? 62 TRP B CZ2 1 ATOM 345 C CZ3 . TRP A 1 47 ? -3.231 -12.846 -29.353 1.00 54.58 ? 62 TRP B CZ3 1 ATOM 346 C CH2 . TRP A 1 47 ? -4.392 -13.517 -29.815 1.00 54.53 ? 62 TRP B CH2 1 ATOM 347 N N . GLU A 1 48 ? -5.056 -12.414 -22.891 1.00 34.72 ? 63 GLU B N 1 ATOM 348 C CA . GLU A 1 48 ? -6.487 -12.383 -22.632 1.00 34.87 ? 63 GLU B CA 1 ATOM 349 C C . GLU A 1 48 ? -6.956 -11.010 -22.154 1.00 35.02 ? 63 GLU B C 1 ATOM 350 O O . GLU A 1 48 ? -8.103 -10.616 -22.424 1.00 34.78 ? 63 GLU B O 1 ATOM 351 C CB . GLU A 1 48 ? -6.857 -13.482 -21.630 1.00 37.38 ? 63 GLU B CB 1 ATOM 352 C CG . GLU A 1 48 ? -6.656 -14.872 -22.221 1.00 39.13 ? 63 GLU B CG 1 ATOM 353 C CD . GLU A 1 48 ? -7.093 -15.988 -21.299 1.00 42.05 ? 63 GLU B CD 1 ATOM 354 O OE1 . GLU A 1 48 ? -7.256 -15.751 -20.094 1.00 45.43 ? 63 GLU B OE1 1 ATOM 355 O OE2 . GLU A 1 48 ? -7.293 -17.109 -21.791 1.00 44.53 ? 63 GLU B OE2 1 ATOM 356 N N . ALA A 1 49 ? -6.054 -10.276 -21.499 1.00 31.21 ? 64 ALA B N 1 ATOM 357 C CA . ALA A 1 49 ? -6.294 -8.888 -21.104 1.00 32.57 ? 64 ALA B CA 1 ATOM 358 C C . ALA A 1 49 ? -6.641 -7.960 -22.271 1.00 29.80 ? 64 ALA B C 1 ATOM 359 O O . ALA A 1 49 ? -7.275 -6.944 -22.064 1.00 30.71 ? 64 ALA B O 1 ATOM 360 C CB . ALA A 1 49 ? -5.085 -8.322 -20.357 1.00 31.94 ? 64 ALA B CB 1 ATOM 361 N N . HIS A 1 50 ? -6.192 -8.297 -23.470 1.00 29.32 ? 65 HIS B N 1 ATOM 362 C CA . HIS A 1 50 ? -6.352 -7.457 -24.659 1.00 30.95 ? 65 HIS B CA 1 ATOM 363 C C . HIS A 1 50 ? -7.550 -7.834 -25.526 1.00 30.14 ? 65 HIS B C 1 ATOM 364 O O . HIS A 1 50 ? -7.812 -7.135 -26.477 1.00 32.44 ? 65 HIS B O 1 ATOM 365 C CB . HIS A 1 50 ? -5.094 -7.509 -25.541 1.00 30.33 ? 65 HIS B CB 1 ATOM 366 C CG . HIS A 1 50 ? -3.893 -6.894 -24.908 1.00 35.25 ? 65 HIS B CG 1 ATOM 367 N ND1 . HIS A 1 50 ? -3.177 -7.515 -23.907 1.00 36.72 ? 65 HIS B ND1 1 ATOM 368 C CD2 . HIS A 1 50 ? -3.291 -5.706 -25.119 1.00 36.41 ? 65 HIS B CD2 1 ATOM 369 C CE1 . HIS A 1 50 ? -2.179 -6.736 -23.536 1.00 37.05 ? 65 HIS B CE1 1 ATOM 370 N NE2 . HIS A 1 50 ? -2.228 -5.635 -24.257 1.00 37.56 ? 65 HIS B NE2 1 ATOM 371 N N . LEU A 1 51 ? -8.250 -8.924 -25.219 1.00 32.08 ? 66 LEU B N 1 ATOM 372 C CA . LEU A 1 51 ? -9.350 -9.404 -26.068 1.00 32.71 ? 66 LEU B CA 1 ATOM 373 C C . LEU A 1 51 ? -10.516 -8.440 -25.937 1.00 34.14 ? 66 LEU B C 1 ATOM 374 O O . LEU A 1 51 ? -10.629 -7.759 -24.920 1.00 36.28 ? 66 LEU B O 1 ATOM 375 C CB . LEU A 1 51 ? -9.763 -10.839 -25.691 1.00 34.72 ? 66 LEU B CB 1 ATOM 376 C CG . LEU A 1 51 ? -8.771 -11.999 -25.907 1.00 38.35 ? 66 LEU B CG 1 ATOM 377 C CD1 . LEU A 1 51 ? -9.263 -13.305 -25.292 1.00 40.39 ? 66 LEU B CD1 1 ATOM 378 C CD2 . LEU A 1 51 ? -8.502 -12.209 -27.394 1.00 39.98 ? 66 LEU B CD2 1 ATOM 379 N N . ASP A 1 52 ? -11.366 -8.371 -26.957 1.00 34.77 ? 67 ASP B N 1 ATOM 380 C CA . ASP A 1 52 ? -12.436 -7.370 -27.006 1.00 35.72 ? 67 ASP B CA 1 ATOM 381 C C . ASP A 1 52 ? -13.251 -7.323 -25.728 1.00 35.20 ? 67 ASP B C 1 ATOM 382 O O . ASP A 1 52 ? -13.480 -6.250 -25.174 1.00 36.42 ? 67 ASP B O 1 ATOM 383 C CB . ASP A 1 52 ? -13.356 -7.528 -28.241 1.00 36.44 ? 67 ASP B CB 1 ATOM 384 C CG . ASP A 1 52 ? -13.990 -8.914 -28.369 1.00 41.76 ? 67 ASP B CG 1 ATOM 385 O OD1 . ASP A 1 52 ? -13.459 -9.935 -27.859 1.00 41.35 ? 67 ASP B OD1 1 ATOM 386 O OD2 . ASP A 1 52 ? -15.049 -8.982 -29.006 1.00 47.91 ? 67 ASP B OD2 1 ATOM 387 N N . VAL A 1 53 ? -13.697 -8.487 -25.279 1.00 35.88 ? 68 VAL B N 1 ATOM 388 C CA . VAL A 1 53 ? -14.279 -8.640 -23.959 1.00 35.06 ? 68 VAL B CA 1 ATOM 389 C C . VAL A 1 53 ? -13.386 -9.682 -23.285 1.00 32.80 ? 68 VAL B C 1 ATOM 390 O O . VAL A 1 53 ? -13.397 -10.840 -23.679 1.00 32.30 ? 68 VAL B O 1 ATOM 391 C CB . VAL A 1 53 ? -15.722 -9.150 -24.031 1.00 34.52 ? 68 VAL B CB 1 ATOM 392 C CG1 . VAL A 1 53 ? -16.233 -9.424 -22.633 1.00 34.93 ? 68 VAL B CG1 1 ATOM 393 C CG2 . VAL A 1 53 ? -16.628 -8.141 -24.744 1.00 36.90 ? 68 VAL B CG2 1 ATOM 394 N N . SER A 1 54 ? -12.588 -9.259 -22.316 1.00 34.16 ? 69 SER B N 1 ATOM 395 C CA . SER A 1 54 ? -11.564 -10.147 -21.773 1.00 33.53 ? 69 SER B CA 1 ATOM 396 C C . SER A 1 54 ? -12.228 -11.357 -21.105 1.00 36.08 ? 69 SER B C 1 ATOM 397 O O . SER A 1 54 ? -13.109 -11.180 -20.272 1.00 35.27 ? 69 SER B O 1 ATOM 398 C CB . SER A 1 54 ? -10.680 -9.414 -20.776 1.00 33.45 ? 69 SER B CB 1 ATOM 399 O OG . SER A 1 54 ? -9.710 -10.299 -20.234 1.00 35.11 ? 69 SER B OG 1 ATOM 400 N N . PRO A 1 55 ? -11.804 -12.586 -21.457 1.00 36.68 ? 70 PRO B N 1 ATOM 401 C CA . PRO A 1 55 ? -12.360 -13.760 -20.760 1.00 38.67 ? 70 PRO B CA 1 ATOM 402 C C . PRO A 1 55 ? -11.892 -13.931 -19.303 1.00 36.91 ? 70 PRO B C 1 ATOM 403 O O . PRO A 1 55 ? -12.352 -14.839 -18.609 1.00 38.82 ? 70 PRO B O 1 ATOM 404 C CB . PRO A 1 55 ? -11.921 -14.945 -21.634 1.00 38.62 ? 70 PRO B CB 1 ATOM 405 C CG . PRO A 1 55 ? -10.737 -14.459 -22.419 1.00 38.95 ? 70 PRO B CG 1 ATOM 406 C CD . PRO A 1 55 ? -10.775 -12.955 -22.445 1.00 39.21 ? 70 PRO B CD 1 ATOM 407 N N . LEU A 1 56 ? -10.995 -13.067 -18.850 1.00 36.03 ? 71 LEU B N 1 ATOM 408 C CA . LEU A 1 56 ? -10.572 -13.049 -17.455 1.00 36.33 ? 71 LEU B CA 1 ATOM 409 C C . LEU A 1 56 ? -11.709 -12.741 -16.494 1.00 38.87 ? 71 LEU B C 1 ATOM 410 O O . LEU A 1 56 ? -11.740 -13.289 -15.386 1.00 34.77 ? 71 LEU B O 1 ATOM 411 C CB . LEU A 1 56 ? -9.463 -12.021 -17.239 1.00 35.80 ? 71 LEU B CB 1 ATOM 412 C CG . LEU A 1 56 ? -8.189 -12.268 -18.060 1.00 36.25 ? 71 LEU B CG 1 ATOM 413 C CD1 . LEU A 1 56 ? -7.231 -11.120 -17.875 1.00 37.47 ? 71 LEU B CD1 1 ATOM 414 C CD2 . LEU A 1 56 ? -7.521 -13.582 -17.692 1.00 38.27 ? 71 LEU B CD2 1 ATOM 415 N N . TYR A 1 57 ? -12.590 -11.822 -16.907 1.00 37.26 ? 72 TYR B N 1 ATOM 416 C CA . TYR A 1 57 ? -13.750 -11.394 -16.112 1.00 38.60 ? 72 TYR B CA 1 ATOM 417 C C . TYR A 1 57 ? -15.098 -11.500 -16.824 1.00 38.64 ? 72 TYR B C 1 ATOM 418 O O . TYR A 1 57 ? -16.122 -11.523 -16.153 1.00 35.66 ? 72 TYR B O 1 ATOM 419 C CB . TYR A 1 57 ? -13.570 -9.952 -15.644 1.00 39.95 ? 72 TYR B CB 1 ATOM 420 C CG . TYR A 1 57 ? -12.156 -9.602 -15.291 1.00 40.93 ? 72 TYR B CG 1 ATOM 421 C CD1 . TYR A 1 57 ? -11.520 -10.208 -14.217 1.00 42.15 ? 72 TYR B CD1 1 ATOM 422 C CD2 . TYR A 1 57 ? -11.437 -8.685 -16.046 1.00 42.36 ? 72 TYR B CD2 1 ATOM 423 C CE1 . TYR A 1 57 ? -10.201 -9.901 -13.891 1.00 42.47 ? 72 TYR B CE1 1 ATOM 424 C CE2 . TYR A 1 57 ? -10.135 -8.362 -15.724 1.00 41.87 ? 72 TYR B CE2 1 ATOM 425 C CZ . TYR A 1 57 ? -9.511 -8.974 -14.651 1.00 42.44 ? 72 TYR B CZ 1 ATOM 426 O OH . TYR A 1 57 ? -8.206 -8.636 -14.349 1.00 39.63 ? 72 TYR B OH 1 ATOM 427 N N . ASN A 1 58 ? -15.092 -11.568 -18.153 1.00 37.06 ? 73 ASN B N 1 ATOM 428 C CA . ASN A 1 58 ? -16.296 -11.492 -18.975 1.00 40.75 ? 73 ASN B CA 1 ATOM 429 C C . ASN A 1 58 ? -17.159 -10.278 -18.646 1.00 41.76 ? 73 ASN B C 1 ATOM 430 O O . ASN A 1 58 ? -18.391 -10.338 -18.647 1.00 45.04 ? 73 ASN B O 1 ATOM 431 C CB . ASN A 1 58 ? -17.081 -12.812 -18.932 1.00 41.82 ? 73 ASN B CB 1 ATOM 432 C CG . ASN A 1 58 ? -16.357 -13.930 -19.644 1.00 42.09 ? 73 ASN B CG 1 ATOM 433 O OD1 . ASN A 1 58 ? -15.689 -13.708 -20.651 1.00 40.85 ? 73 ASN B OD1 1 ATOM 434 N ND2 . ASN A 1 58 ? -16.484 -15.129 -19.133 1.00 42.29 ? 73 ASN B ND2 1 ATOM 435 N N . PHE A 1 59 ? -16.482 -9.171 -18.367 1.00 39.88 ? 74 PHE B N 1 ATOM 436 C CA . PHE A 1 59 ? -17.133 -7.876 -18.251 1.00 42.95 ? 74 PHE B CA 1 ATOM 437 C C . PHE A 1 59 ? -16.858 -7.062 -19.521 1.00 41.07 ? 74 PHE B C 1 ATOM 438 O O . PHE A 1 59 ? -15.695 -6.771 -19.834 1.00 38.77 ? 74 PHE B O 1 ATOM 439 C CB . PHE A 1 59 ? -16.610 -7.146 -17.031 1.00 44.93 ? 74 PHE B CB 1 ATOM 440 C CG . PHE A 1 59 ? -17.248 -5.818 -16.814 1.00 48.12 ? 74 PHE B CG 1 ATOM 441 C CD1 . PHE A 1 59 ? -18.502 -5.727 -16.210 1.00 49.86 ? 74 PHE B CD1 1 ATOM 442 C CD2 . PHE A 1 59 ? -16.615 -4.657 -17.232 1.00 48.42 ? 74 PHE B CD2 1 ATOM 443 C CE1 . PHE A 1 59 ? -19.104 -4.494 -16.018 1.00 51.09 ? 74 PHE B CE1 1 ATOM 444 C CE2 . PHE A 1 59 ? -17.214 -3.421 -17.049 1.00 50.77 ? 74 PHE B CE2 1 ATOM 445 C CZ . PHE A 1 59 ? -18.458 -3.337 -16.430 1.00 50.48 ? 74 PHE B CZ 1 ATOM 446 N N . SER A 1 60 ? -17.921 -6.722 -20.250 1.00 37.31 ? 75 SER B N 1 ATOM 447 C CA . SER A 1 60 ? -17.788 -5.911 -21.456 1.00 37.64 ? 75 SER B CA 1 ATOM 448 C C . SER A 1 60 ? -17.746 -4.439 -21.129 1.00 37.26 ? 75 SER B C 1 ATOM 449 O O . SER A 1 60 ? -18.635 -3.882 -20.481 1.00 39.50 ? 75 SER B O 1 ATOM 450 C CB . SER A 1 60 ? -18.918 -6.137 -22.435 1.00 38.10 ? 75 SER B CB 1 ATOM 451 O OG . SER A 1 60 ? -18.779 -5.239 -23.531 1.00 40.27 ? 75 SER B OG 1 ATOM 452 N N . LEU A 1 61 ? -16.692 -3.814 -21.603 1.00 37.32 ? 76 LEU B N 1 ATOM 453 C CA . LEU A 1 61 ? -16.591 -2.376 -21.571 1.00 38.75 ? 76 LEU B CA 1 ATOM 454 C C . LEU A 1 61 ? -17.419 -1.701 -22.676 1.00 35.76 ? 76 LEU B C 1 ATOM 455 O O . LEU A 1 61 ? -17.626 -0.492 -22.599 1.00 37.89 ? 76 LEU B O 1 ATOM 456 C CB . LEU A 1 61 ? -15.130 -1.967 -21.719 1.00 37.66 ? 76 LEU B CB 1 ATOM 457 C CG . LEU A 1 61 ? -14.203 -2.531 -20.645 1.00 41.00 ? 76 LEU B CG 1 ATOM 458 C CD1 . LEU A 1 61 ? -12.759 -2.438 -21.131 1.00 40.80 ? 76 LEU B CD1 1 ATOM 459 C CD2 . LEU A 1 61 ? -14.405 -1.798 -19.333 1.00 41.70 ? 76 LEU B CD2 1 ATOM 460 N N . PHE A 1 62 ? -17.842 -2.459 -23.697 1.00 33.07 ? 77 PHE B N 1 ATOM 461 C CA . PHE A 1 62 ? -18.617 -1.935 -24.841 1.00 34.74 ? 77 PHE B CA 1 ATOM 462 C C . PHE A 1 62 ? -20.144 -1.936 -24.614 1.00 34.83 ? 77 PHE B C 1 ATOM 463 O O . PHE A 1 62 ? -20.916 -1.865 -25.565 1.00 33.32 ? 77 PHE B O 1 ATOM 464 C CB . PHE A 1 62 ? -18.313 -2.738 -26.117 1.00 35.96 ? 77 PHE B CB 1 ATOM 465 C CG . PHE A 1 62 ? -16.894 -2.614 -26.586 1.00 36.94 ? 77 PHE B CG 1 ATOM 466 C CD1 . PHE A 1 62 ? -16.474 -1.471 -27.278 1.00 35.34 ? 77 PHE B CD1 1 ATOM 467 C CD2 . PHE A 1 62 ? -15.968 -3.625 -26.331 1.00 36.07 ? 77 PHE B CD2 1 ATOM 468 C CE1 . PHE A 1 62 ? -15.156 -1.344 -27.713 1.00 35.83 ? 77 PHE B CE1 1 ATOM 469 C CE2 . PHE A 1 62 ? -14.654 -3.501 -26.769 1.00 37.69 ? 77 PHE B CE2 1 ATOM 470 C CZ . PHE A 1 62 ? -14.247 -2.362 -27.458 1.00 36.18 ? 77 PHE B CZ 1 ATOM 471 N N . HIS A 1 63 ? -20.572 -2.003 -23.358 1.00 35.11 ? 78 HIS B N 1 ATOM 472 C CA . HIS A 1 63 ? -22.008 -2.049 -23.018 1.00 37.32 ? 78 HIS B CA 1 ATOM 473 C C . HIS A 1 63 ? -22.828 -0.871 -23.560 1.00 37.81 ? 78 HIS B C 1 ATOM 474 O O . HIS A 1 63 ? -24.030 -0.997 -23.692 1.00 37.64 ? 78 HIS B O 1 ATOM 475 C CB . HIS A 1 63 ? -22.225 -2.199 -21.504 1.00 36.46 ? 78 HIS B CB 1 ATOM 476 C CG . HIS A 1 63 ? -21.448 -1.224 -20.679 1.00 37.06 ? 78 HIS B CG 1 ATOM 477 N ND1 . HIS A 1 63 ? -20.214 -1.528 -20.139 1.00 38.37 ? 78 HIS B ND1 1 ATOM 478 C CD2 . HIS A 1 63 ? -21.708 0.056 -20.331 1.00 37.06 ? 78 HIS B CD2 1 ATOM 479 C CE1 . HIS A 1 63 ? -19.753 -0.480 -19.482 1.00 37.19 ? 78 HIS B CE1 1 ATOM 480 N NE2 . HIS A 1 63 ? -20.643 0.493 -19.580 1.00 39.37 ? 78 HIS B NE2 1 ATOM 481 N N . CYS A 1 64 ? -22.199 0.264 -23.862 1.00 37.29 ? 79 CYS B N 1 ATOM 482 C CA . CYS A 1 64 ? -22.918 1.375 -24.520 1.00 39.03 ? 79 CYS B CA 1 ATOM 483 C C . CYS A 1 64 ? -22.418 1.640 -25.945 1.00 40.78 ? 79 CYS B C 1 ATOM 484 O O . CYS A 1 64 ? -22.563 2.758 -26.448 1.00 42.87 ? 79 CYS B O 1 ATOM 485 C CB . CYS A 1 64 ? -22.824 2.643 -23.662 1.00 40.11 ? 79 CYS B CB 1 ATOM 486 S SG . CYS A 1 64 ? -23.951 2.688 -22.250 1.00 41.94 ? 79 CYS B SG 1 ATOM 487 N N . GLY A 1 65 ? -21.831 0.635 -26.602 1.00 37.06 ? 80 GLY B N 1 ATOM 488 C CA . GLY A 1 65 ? -21.359 0.770 -27.979 1.00 37.38 ? 80 GLY B CA 1 ATOM 489 C C . GLY A 1 65 ? -20.150 1.661 -28.231 1.00 36.38 ? 80 GLY B C 1 ATOM 490 O O . GLY A 1 65 ? -19.227 1.267 -28.952 1.00 35.62 ? 80 GLY B O 1 ATOM 491 N N . LEU A 1 66 ? -20.153 2.867 -27.662 1.00 37.26 ? 81 LEU B N 1 ATOM 492 C CA . LEU A 1 66 ? -19.099 3.856 -27.875 1.00 35.98 ? 81 LEU B CA 1 ATOM 493 C C . LEU A 1 66 ? -18.024 3.850 -26.797 1.00 36.91 ? 81 LEU B C 1 ATOM 494 O O . LEU A 1 66 ? -18.161 4.492 -25.757 1.00 36.36 ? 81 LEU B O 1 ATOM 495 C CB . LEU A 1 66 ? -19.697 5.251 -27.959 1.00 36.98 ? 81 LEU B CB 1 ATOM 496 C CG . LEU A 1 66 ? -20.505 5.612 -29.207 1.00 40.12 ? 81 LEU B CG 1 ATOM 497 C CD1 . LEU A 1 66 ? -21.223 6.931 -28.992 1.00 39.98 ? 81 LEU B CD1 1 ATOM 498 C CD2 . LEU A 1 66 ? -19.632 5.712 -30.450 1.00 41.17 ? 81 LEU B CD2 1 ATOM 499 N N . LEU A 1 67 ? -16.931 3.156 -27.056 1.00 36.22 ? 82 LEU B N 1 ATOM 500 C CA . LEU A 1 67 ? -15.795 3.192 -26.155 1.00 35.88 ? 82 LEU B CA 1 ATOM 501 C C . LEU A 1 67 ? -14.604 3.461 -27.018 1.00 33.96 ? 82 LEU B C 1 ATOM 502 O O . LEU A 1 67 ? -14.319 2.668 -27.902 1.00 35.32 ? 82 LEU B O 1 ATOM 503 C CB . LEU A 1 67 ? -15.682 1.858 -25.453 1.00 38.30 ? 82 LEU B CB 1 ATOM 504 C CG . LEU A 1 67 ? -14.494 1.679 -24.517 1.00 39.61 ? 82 LEU B CG 1 ATOM 505 C CD1 . LEU A 1 67 ? -14.725 2.429 -23.218 1.00 42.10 ? 82 LEU B CD1 1 ATOM 506 C CD2 . LEU A 1 67 ? -14.268 0.194 -24.294 1.00 43.51 ? 82 LEU B CD2 1 ATOM 507 N N . MET A 1 68 ? -13.923 4.579 -26.791 1.00 33.55 ? 83 MET B N 1 ATOM 508 C CA . MET A 1 68 ? -12.853 5.013 -27.693 1.00 35.05 ? 83 MET B CA 1 ATOM 509 C C . MET A 1 68 ? -11.539 4.257 -27.454 1.00 34.19 ? 83 MET B C 1 ATOM 510 O O . MET A 1 68 ? -11.244 3.897 -26.337 1.00 34.51 ? 83 MET B O 1 ATOM 511 C CB . MET A 1 68 ? -12.590 6.520 -27.548 1.00 35.90 ? 83 MET B CB 1 ATOM 512 C CG . MET A 1 68 ? -13.762 7.429 -27.880 1.00 37.55 ? 83 MET B CG 1 ATOM 513 S SD . MET A 1 68 ? -14.300 7.174 -29.569 1.00 38.39 ? 83 MET B SD 1 ATOM 514 C CE . MET A 1 68 ? -15.646 6.015 -29.280 1.00 40.83 ? 83 MET B CE 1 ATOM 515 N N . PRO A 1 69 ? -10.729 4.073 -28.505 1.00 33.15 ? 84 PRO B N 1 ATOM 516 C CA . PRO A 1 69 ? -9.440 3.396 -28.342 1.00 33.16 ? 84 PRO B CA 1 ATOM 517 C C . PRO A 1 69 ? -8.551 3.912 -27.200 1.00 33.92 ? 84 PRO B C 1 ATOM 518 O O . PRO A 1 69 ? -8.019 3.109 -26.440 1.00 33.08 ? 84 PRO B O 1 ATOM 519 C CB . PRO A 1 69 ? -8.769 3.613 -29.691 1.00 33.43 ? 84 PRO B CB 1 ATOM 520 C CG . PRO A 1 69 ? -9.902 3.678 -30.666 1.00 32.58 ? 84 PRO B CG 1 ATOM 521 C CD . PRO A 1 69 ? -11.054 4.290 -29.935 1.00 32.17 ? 84 PRO B CD 1 ATOM 522 N N . GLY A 1 70 ? -8.415 5.227 -27.078 1.00 32.80 ? 85 GLY B N 1 ATOM 523 C CA . GLY A 1 70 ? -7.657 5.828 -26.003 1.00 34.24 ? 85 GLY B CA 1 ATOM 524 C C . GLY A 1 70 ? -8.206 5.509 -24.624 1.00 36.84 ? 85 GLY B C 1 ATOM 525 O O . GLY A 1 70 ? -7.443 5.356 -23.692 1.00 37.64 ? 85 GLY B O 1 ATOM 526 N N . CYS A 1 71 ? -9.529 5.401 -24.505 1.00 35.20 ? 86 CYS B N 1 ATOM 527 C CA . CYS A 1 71 ? -10.167 4.991 -23.273 1.00 37.10 ? 86 CYS B CA 1 ATOM 528 C C . CYS A 1 71 ? -9.913 3.493 -23.012 1.00 37.63 ? 86 CYS B C 1 ATOM 529 O O . CYS A 1 71 ? -9.421 3.104 -21.944 1.00 39.09 ? 86 CYS B O 1 ATOM 530 C CB . CYS A 1 71 ? -11.669 5.322 -23.316 1.00 36.24 ? 86 CYS B CB 1 ATOM 531 S SG . CYS A 1 71 ? -12.585 4.923 -21.820 1.00 39.34 ? 86 CYS B SG 1 ATOM 532 N N . ARG A 1 72 ? -10.193 2.651 -23.992 1.00 35.22 ? 87 ARG B N 1 ATOM 533 C CA . ARG A 1 72 ? -9.985 1.235 -23.775 1.00 34.83 ? 87 ARG B CA 1 ATOM 534 C C . ARG A 1 72 ? -8.543 0.931 -23.409 1.00 34.26 ? 87 ARG B C 1 ATOM 535 O O . ARG A 1 72 ? -8.315 0.108 -22.579 1.00 31.85 ? 87 ARG B O 1 ATOM 536 C CB . ARG A 1 72 ? -10.386 0.390 -24.962 1.00 36.56 ? 87 ARG B CB 1 ATOM 537 C CG . ARG A 1 72 ? -10.349 -1.081 -24.587 1.00 40.32 ? 87 ARG B CG 1 ATOM 538 C CD . ARG A 1 72 ? -11.166 -1.959 -25.498 1.00 41.17 ? 87 ARG B CD 1 ATOM 539 N NE . ARG A 1 72 ? -10.530 -2.113 -26.769 1.00 41.36 ? 87 ARG B NE 1 ATOM 540 C CZ . ARG A 1 72 ? -10.027 -3.235 -27.276 1.00 40.85 ? 87 ARG B CZ 1 ATOM 541 N NH1 . ARG A 1 72 ? -10.076 -4.395 -26.638 1.00 45.91 ? 87 ARG B NH1 1 ATOM 542 N NH2 . ARG A 1 72 ? -9.466 -3.169 -28.460 1.00 39.76 ? 87 ARG B NH2 1 ATOM 543 N N . LYS A 1 73 ? -7.581 1.614 -24.008 1.00 34.07 ? 88 LYS B N 1 ATOM 544 C CA . LYS A 1 73 ? -6.188 1.415 -23.627 1.00 35.98 ? 88 LYS B CA 1 ATOM 545 C C . LYS A 1 73 ? -5.941 1.500 -22.099 1.00 34.97 ? 88 LYS B C 1 ATOM 546 O O . LYS A 1 73 ? -5.206 0.681 -21.554 1.00 33.86 ? 88 LYS B O 1 ATOM 547 C CB . LYS A 1 73 ? -5.320 2.408 -24.364 1.00 40.49 ? 88 LYS B CB 1 ATOM 548 C CG . LYS A 1 73 ? -3.836 2.302 -24.039 1.00 43.97 ? 88 LYS B CG 1 ATOM 549 C CD . LYS A 1 73 ? -2.983 2.666 -25.239 1.00 48.45 ? 88 LYS B CD 1 ATOM 550 C CE . LYS A 1 73 ? -1.798 3.555 -24.894 1.00 51.79 ? 88 LYS B CE 1 ATOM 551 N NZ . LYS A 1 73 ? -0.614 3.116 -25.687 1.00 52.87 ? 88 LYS B NZ 1 ATOM 552 N N . HIS A 1 74 ? -6.568 2.469 -21.433 1.00 33.84 ? 89 HIS B N 1 ATOM 553 C CA . HIS A 1 74 ? -6.414 2.649 -19.988 1.00 36.34 ? 89 HIS B CA 1 ATOM 554 C C . HIS A 1 74 ? -6.965 1.451 -19.254 1.00 37.35 ? 89 HIS B C 1 ATOM 555 O O . HIS A 1 74 ? -6.356 0.985 -18.304 1.00 39.51 ? 89 HIS B O 1 ATOM 556 C CB . HIS A 1 74 ? -7.094 3.921 -19.486 1.00 38.40 ? 89 HIS B CB 1 ATOM 557 C CG . HIS A 1 74 ? -6.356 5.176 -19.815 1.00 42.09 ? 89 HIS B CG 1 ATOM 558 N ND1 . HIS A 1 74 ? -5.273 5.605 -19.086 1.00 45.61 ? 89 HIS B ND1 1 ATOM 559 C CD2 . HIS A 1 74 ? -6.555 6.112 -20.770 1.00 42.83 ? 89 HIS B CD2 1 ATOM 560 C CE1 . HIS A 1 74 ? -4.819 6.736 -19.586 1.00 45.59 ? 89 HIS B CE1 1 ATOM 561 N NE2 . HIS A 1 74 ? -5.583 7.068 -20.608 1.00 45.09 ? 89 HIS B NE2 1 ATOM 562 N N . PHE A 1 75 ? -8.104 0.941 -19.709 1.00 36.81 ? 90 PHE B N 1 ATOM 563 C CA . PHE A 1 75 ? -8.708 -0.244 -19.098 1.00 35.56 ? 90 PHE B CA 1 ATOM 564 C C . PHE A 1 75 ? -7.864 -1.511 -19.264 1.00 34.86 ? 90 PHE B C 1 ATOM 565 O O . PHE A 1 75 ? -7.743 -2.306 -18.326 1.00 33.74 ? 90 PHE B O 1 ATOM 566 C CB . PHE A 1 75 ? -10.121 -0.464 -19.627 1.00 35.09 ? 90 PHE B CB 1 ATOM 567 C CG . PHE A 1 75 ? -11.113 0.485 -19.037 1.00 34.89 ? 90 PHE B CG 1 ATOM 568 C CD1 . PHE A 1 75 ? -11.588 0.278 -17.745 1.00 35.94 ? 90 PHE B CD1 1 ATOM 569 C CD2 . PHE A 1 75 ? -11.544 1.600 -19.744 1.00 34.34 ? 90 PHE B CD2 1 ATOM 570 C CE1 . PHE A 1 75 ? -12.478 1.154 -17.170 1.00 36.74 ? 90 PHE B CE1 1 ATOM 571 C CE2 . PHE A 1 75 ? -12.436 2.484 -19.169 1.00 35.53 ? 90 PHE B CE2 1 ATOM 572 C CZ . PHE A 1 75 ? -12.892 2.266 -17.879 1.00 38.06 ? 90 PHE B CZ 1 ATOM 573 N N . ILE A 1 76 ? -7.265 -1.684 -20.430 1.00 31.74 ? 91 ILE B N 1 ATOM 574 C CA . ILE A 1 76 ? -6.369 -2.827 -20.632 1.00 33.09 ? 91 ILE B CA 1 ATOM 575 C C . ILE A 1 76 ? -5.175 -2.688 -19.686 1.00 33.91 ? 91 ILE B C 1 ATOM 576 O O . ILE A 1 76 ? -4.802 -3.635 -18.999 1.00 36.10 ? 91 ILE B O 1 ATOM 577 C CB . ILE A 1 76 ? -5.864 -2.938 -22.066 1.00 31.19 ? 91 ILE B CB 1 ATOM 578 C CG1 . ILE A 1 76 ? -7.032 -3.200 -23.017 1.00 31.30 ? 91 ILE B CG1 1 ATOM 579 C CG2 . ILE A 1 76 ? -4.889 -4.104 -22.180 1.00 30.95 ? 91 ILE B CG2 1 ATOM 580 C CD1 . ILE A 1 76 ? -6.657 -3.164 -24.490 1.00 31.05 ? 91 ILE B CD1 1 ATOM 581 N N . GLN A 1 77 ? -4.598 -1.499 -19.636 1.00 35.31 ? 92 GLN B N 1 ATOM 582 C CA . GLN A 1 77 ? -3.510 -1.237 -18.703 1.00 36.05 ? 92 GLN B CA 1 ATOM 583 C C . GLN A 1 77 ? -3.896 -1.549 -17.247 1.00 39.00 ? 92 GLN B C 1 ATOM 584 O O . GLN A 1 77 ? -3.100 -2.138 -16.523 1.00 41.13 ? 92 GLN B O 1 ATOM 585 C CB . GLN A 1 77 ? -3.051 0.200 -18.840 1.00 36.33 ? 92 GLN B CB 1 ATOM 586 C CG . GLN A 1 77 ? -2.354 0.450 -20.159 1.00 36.93 ? 92 GLN B CG 1 ATOM 587 C CD . GLN A 1 77 ? -1.800 1.844 -20.270 1.00 38.01 ? 92 GLN B CD 1 ATOM 588 O OE1 . GLN A 1 77 ? -2.207 2.739 -19.544 1.00 38.66 ? 92 GLN B OE1 1 ATOM 589 N NE2 . GLN A 1 77 ? -0.868 2.038 -21.190 1.00 38.96 ? 92 GLN B NE2 1 ATOM 590 N N . ALA A 1 78 ? -5.114 -1.178 -16.839 1.00 35.56 ? 93 ALA B N 1 ATOM 591 C CA . ALA A 1 78 ? -5.631 -1.520 -15.517 1.00 36.26 ? 93 ALA B CA 1 ATOM 592 C C . ALA A 1 78 ? -5.689 -3.022 -15.258 1.00 36.47 ? 93 ALA B C 1 ATOM 593 O O . ALA A 1 78 ? -5.357 -3.478 -14.154 1.00 37.71 ? 93 ALA B O 1 ATOM 594 C CB . ALA A 1 78 ? -7.009 -0.896 -15.293 1.00 36.12 ? 93 ALA B CB 1 ATOM 595 N N . ILE A 1 79 ? -6.094 -3.790 -16.264 1.00 34.90 ? 94 ILE B N 1 ATOM 596 C CA . ILE A 1 79 ? -6.084 -5.239 -16.155 1.00 34.64 ? 94 ILE B CA 1 ATOM 597 C C . ILE A 1 79 ? -4.647 -5.735 -15.936 1.00 36.82 ? 94 ILE B C 1 ATOM 598 O O . ILE A 1 79 ? -4.404 -6.585 -15.079 1.00 36.51 ? 94 ILE B O 1 ATOM 599 C CB . ILE A 1 79 ? -6.680 -5.912 -17.397 1.00 35.02 ? 94 ILE B CB 1 ATOM 600 C CG1 . ILE A 1 79 ? -8.169 -5.544 -17.538 1.00 35.66 ? 94 ILE B CG1 1 ATOM 601 C CG2 . ILE A 1 79 ? -6.524 -7.434 -17.325 1.00 36.40 ? 94 ILE B CG2 1 ATOM 602 C CD1 . ILE A 1 79 ? -8.838 -6.109 -18.775 1.00 35.17 ? 94 ILE B CD1 1 ATOM 603 N N . CYS A 1 80 ? -3.712 -5.227 -16.737 1.00 35.24 ? 95 CYS B N 1 ATOM 604 C CA . CYS A 1 80 ? -2.303 -5.643 -16.632 1.00 36.14 ? 95 CYS B CA 1 ATOM 605 C C . CYS A 1 80 ? -1.780 -5.373 -15.227 1.00 36.60 ? 95 CYS B C 1 ATOM 606 O O . CYS A 1 80 ? -1.185 -6.234 -14.609 1.00 36.28 ? 95 CYS B O 1 ATOM 607 C CB . CYS A 1 80 ? -1.427 -4.910 -17.643 1.00 35.40 ? 95 CYS B CB 1 ATOM 608 S SG . CYS A 1 80 ? -1.713 -5.339 -19.367 1.00 35.54 ? 95 CYS B SG 1 ATOM 609 N N . PHE A 1 81 ? -2.042 -4.171 -14.729 1.00 36.26 ? 96 PHE B N 1 ATOM 610 C CA . PHE A 1 81 ? -1.688 -3.789 -13.375 1.00 37.40 ? 96 PHE B CA 1 ATOM 611 C C . PHE A 1 81 ? -2.256 -4.737 -12.314 1.00 39.38 ? 96 PHE B C 1 ATOM 612 O O . PHE A 1 81 ? -1.508 -5.279 -11.501 1.00 37.51 ? 96 PHE B O 1 ATOM 613 C CB . PHE A 1 81 ? -2.160 -2.363 -13.128 1.00 42.39 ? 96 PHE B CB 1 ATOM 614 C CG . PHE A 1 81 ? -1.799 -1.814 -11.777 1.00 41.96 ? 96 PHE B CG 1 ATOM 615 C CD1 . PHE A 1 81 ? -0.483 -1.852 -11.312 1.00 43.65 ? 96 PHE B CD1 1 ATOM 616 C CD2 . PHE A 1 81 ? -2.767 -1.234 -10.979 1.00 45.56 ? 96 PHE B CD2 1 ATOM 617 C CE1 . PHE A 1 81 ? -0.154 -1.333 -10.068 1.00 46.35 ? 96 PHE B CE1 1 ATOM 618 C CE2 . PHE A 1 81 ? -2.442 -0.712 -9.728 1.00 45.88 ? 96 PHE B CE2 1 ATOM 619 C CZ . PHE A 1 81 ? -1.136 -0.761 -9.275 1.00 45.68 ? 96 PHE B CZ 1 ATOM 620 N N . TYR A 1 82 ? -3.572 -4.937 -12.324 1.00 37.68 ? 97 TYR B N 1 ATOM 621 C CA . TYR A 1 82 ? -4.234 -5.865 -11.397 1.00 39.03 ? 97 TYR B CA 1 ATOM 622 C C . TYR A 1 82 ? -3.665 -7.283 -11.445 1.00 37.90 ? 97 TYR B C 1 ATOM 623 O O . TYR A 1 82 ? -3.447 -7.914 -10.403 1.00 35.24 ? 97 TYR B O 1 ATOM 624 C CB . TYR A 1 82 ? -5.725 -5.960 -11.710 1.00 41.02 ? 97 TYR B CB 1 ATOM 625 C CG . TYR A 1 82 ? -6.525 -6.647 -10.629 1.00 43.45 ? 97 TYR B CG 1 ATOM 626 C CD1 . TYR A 1 82 ? -6.831 -8.008 -10.694 1.00 45.45 ? 97 TYR B CD1 1 ATOM 627 C CD2 . TYR A 1 82 ? -6.990 -5.926 -9.538 1.00 46.51 ? 97 TYR B CD2 1 ATOM 628 C CE1 . TYR A 1 82 ? -7.572 -8.624 -9.691 1.00 45.70 ? 97 TYR B CE1 1 ATOM 629 C CE2 . TYR A 1 82 ? -7.738 -6.524 -8.550 1.00 48.84 ? 97 TYR B CE2 1 ATOM 630 C CZ . TYR A 1 82 ? -8.023 -7.874 -8.624 1.00 50.97 ? 97 TYR B CZ 1 ATOM 631 O OH . TYR A 1 82 ? -8.764 -8.456 -7.617 1.00 58.06 ? 97 TYR B OH 1 ATOM 632 N N . GLU A 1 83 ? -3.484 -7.782 -12.666 1.00 34.61 ? 98 GLU B N 1 ATOM 633 C CA . GLU A 1 83 ? -3.074 -9.167 -12.888 1.00 36.21 ? 98 GLU B CA 1 ATOM 634 C C . GLU A 1 83 ? -1.557 -9.407 -12.780 1.00 35.69 ? 98 GLU B C 1 ATOM 635 O O . GLU A 1 83 ? -1.131 -10.527 -12.484 1.00 37.80 ? 98 GLU B O 1 ATOM 636 C CB . GLU A 1 83 ? -3.581 -9.662 -14.247 1.00 36.76 ? 98 GLU B CB 1 ATOM 637 C CG . GLU A 1 83 ? -5.108 -9.740 -14.384 1.00 37.06 ? 98 GLU B CG 1 ATOM 638 C CD . GLU A 1 83 ? -5.790 -10.776 -13.499 1.00 40.32 ? 98 GLU B CD 1 ATOM 639 O OE1 . GLU A 1 83 ? -5.154 -11.773 -13.111 1.00 43.01 ? 98 GLU B OE1 1 ATOM 640 O OE2 . GLU A 1 83 ? -6.993 -10.596 -13.180 1.00 40.08 ? 98 GLU B OE2 1 ATOM 641 N N . CYS A 1 84 ? -0.753 -8.382 -13.046 1.00 35.82 ? 99 CYS B N 1 ATOM 642 C CA . CYS A 1 84 ? 0.713 -8.549 -13.130 1.00 36.74 ? 99 CYS B CA 1 ATOM 643 C C . CYS A 1 84 ? 1.541 -7.970 -11.980 1.00 37.95 ? 99 CYS B C 1 ATOM 644 O O . CYS A 1 84 ? 2.680 -8.411 -11.779 1.00 36.33 ? 99 CYS B O 1 ATOM 645 C CB . CYS A 1 84 ? 1.259 -7.975 -14.449 1.00 35.54 ? 99 CYS B CB 1 ATOM 646 S SG . CYS A 1 84 ? 0.412 -8.576 -15.922 1.00 37.49 ? 99 CYS B SG 1 ATOM 647 N N . SER A 1 85 ? 1.022 -6.985 -11.261 1.00 37.07 ? 100 SER B N 1 ATOM 648 C CA . SER A 1 85 ? 1.838 -6.255 -10.299 1.00 40.43 ? 100 SER B CA 1 ATOM 649 C C . SER A 1 85 ? 2.258 -7.146 -9.150 1.00 40.18 ? 100 SER B C 1 ATOM 650 O O . SER A 1 85 ? 1.395 -7.763 -8.535 1.00 37.83 ? 100 SER B O 1 ATOM 651 C CB . SER A 1 85 ? 1.090 -5.072 -9.717 1.00 42.05 ? 100 SER B CB 1 ATOM 652 O OG . SER A 1 85 ? 1.927 -4.382 -8.799 1.00 47.07 ? 100 SER B OG 1 ATOM 653 N N . PRO A 1 86 ? 3.582 -7.216 -8.860 1.00 41.50 ? 101 PRO B N 1 ATOM 654 C CA . PRO A 1 86 ? 4.064 -7.896 -7.665 1.00 42.37 ? 101 PRO B CA 1 ATOM 655 C C . PRO A 1 86 ? 4.126 -6.968 -6.439 1.00 46.64 ? 101 PRO B C 1 ATOM 656 O O . PRO A 1 86 ? 4.691 -7.359 -5.408 1.00 45.31 ? 101 PRO B O 1 ATOM 657 C CB . PRO A 1 86 ? 5.473 -8.310 -8.076 1.00 42.98 ? 101 PRO B CB 1 ATOM 658 C CG . PRO A 1 86 ? 5.935 -7.171 -8.908 1.00 42.84 ? 101 PRO B CG 1 ATOM 659 C CD . PRO A 1 86 ? 4.706 -6.627 -9.610 1.00 41.31 ? 101 PRO B CD 1 ATOM 660 N N . ASN A 1 87 ? 3.541 -5.772 -6.554 1.00 45.25 ? 102 ASN B N 1 ATOM 661 C CA . ASN A 1 87 ? 3.672 -4.717 -5.566 1.00 46.21 ? 102 ASN B CA 1 ATOM 662 C C . ASN A 1 87 ? 2.356 -4.303 -4.921 1.00 46.48 ? 102 ASN B C 1 ATOM 663 O O . ASN A 1 87 ? 2.226 -3.173 -4.441 1.00 49.81 ? 102 ASN B O 1 ATOM 664 C CB . ASN A 1 87 ? 4.336 -3.515 -6.226 1.00 47.08 ? 102 ASN B CB 1 ATOM 665 C CG . ASN A 1 87 ? 5.657 -3.867 -6.878 1.00 49.35 ? 102 ASN B CG 1 ATOM 666 O OD1 . ASN A 1 87 ? 5.940 -3.457 -8.012 1.00 46.09 ? 102 ASN B OD1 1 ATOM 667 N ND2 . ASN A 1 87 ? 6.475 -4.649 -6.172 1.00 47.42 ? 102 ASN B ND2 1 ATOM 668 N N . LEU A 1 88 ? 1.399 -5.226 -4.857 1.00 45.72 ? 103 LEU B N 1 ATOM 669 C CA . LEU A 1 88 ? 0.070 -4.926 -4.268 1.00 44.95 ? 103 LEU B CA 1 ATOM 670 C C . LEU A 1 88 ? -0.138 -5.482 -2.870 1.00 44.99 ? 103 LEU B C 1 ATOM 671 O O . LEU A 1 88 ? -1.171 -5.224 -2.256 1.00 41.51 ? 103 LEU B O 1 ATOM 672 C CB . LEU A 1 88 ? -1.040 -5.438 -5.189 1.00 43.27 ? 103 LEU B CB 1 ATOM 673 C CG . LEU A 1 88 ? -0.949 -4.967 -6.645 1.00 44.90 ? 103 LEU B CG 1 ATOM 674 C CD1 . LEU A 1 88 ? -2.153 -5.436 -7.446 1.00 45.22 ? 103 LEU B CD1 1 ATOM 675 C CD2 . LEU A 1 88 ? -0.816 -3.451 -6.722 1.00 45.72 ? 103 LEU B CD2 1 ATOM 676 N N . GLY A 1 89 ? 0.861 -6.201 -2.352 1.00 46.81 ? 104 GLY B N 1 ATOM 677 C CA . GLY A 1 89 ? 0.762 -6.875 -1.067 1.00 46.67 ? 104 GLY B CA 1 ATOM 678 C C . GLY A 1 89 ? 0.162 -6.046 0.045 1.00 45.53 ? 104 GLY B C 1 ATOM 679 O O . GLY A 1 89 ? -0.769 -6.506 0.697 1.00 44.27 ? 104 GLY B O 1 ATOM 680 N N . PRO A 1 90 ? 0.657 -4.807 0.245 1.00 47.62 ? 105 PRO B N 1 ATOM 681 C CA . PRO A 1 90 ? 0.113 -3.968 1.324 1.00 50.68 ? 105 PRO B CA 1 ATOM 682 C C . PRO A 1 90 ? -1.396 -3.691 1.274 1.00 52.64 ? 105 PRO B C 1 ATOM 683 O O . PRO A 1 90 ? -1.980 -3.387 2.313 1.00 51.43 ? 105 PRO B O 1 ATOM 684 C CB . PRO A 1 90 ? 0.879 -2.647 1.163 1.00 51.62 ? 105 PRO B CB 1 ATOM 685 C CG . PRO A 1 90 ? 2.142 -3.023 0.488 1.00 51.42 ? 105 PRO B CG 1 ATOM 686 C CD . PRO A 1 90 ? 1.777 -4.136 -0.444 1.00 48.25 ? 105 PRO B CD 1 ATOM 687 N N . TRP A 1 91 ? -2.008 -3.775 0.090 1.00 48.38 ? 106 TRP B N 1 ATOM 688 C CA . TRP A 1 91 ? -3.428 -3.505 -0.056 1.00 48.01 ? 106 TRP B CA 1 ATOM 689 C C . TRP A 1 91 ? -4.229 -4.748 -0.280 1.00 48.07 ? 106 TRP B C 1 ATOM 690 O O . TRP A 1 91 ? -5.439 -4.665 -0.498 1.00 42.98 ? 106 TRP B O 1 ATOM 691 C CB . TRP A 1 91 ? -3.660 -2.517 -1.173 1.00 46.46 ? 106 TRP B CB 1 ATOM 692 C CG . TRP A 1 91 ? -2.978 -1.302 -0.858 1.00 47.88 ? 106 TRP B CG 1 ATOM 693 C CD1 . TRP A 1 91 ? -3.431 -0.291 -0.078 1.00 50.17 ? 106 TRP B CD1 1 ATOM 694 C CD2 . TRP A 1 91 ? -1.658 -0.965 -1.233 1.00 50.87 ? 106 TRP B CD2 1 ATOM 695 N NE1 . TRP A 1 91 ? -2.482 0.685 0.023 1.00 49.13 ? 106 TRP B NE1 1 ATOM 696 C CE2 . TRP A 1 91 ? -1.377 0.292 -0.676 1.00 50.41 ? 106 TRP B CE2 1 ATOM 697 C CE3 . TRP A 1 91 ? -0.676 -1.601 -2.002 1.00 51.25 ? 106 TRP B CE3 1 ATOM 698 C CZ2 . TRP A 1 91 ? -0.161 0.940 -0.873 1.00 54.78 ? 106 TRP B CZ2 1 ATOM 699 C CZ3 . TRP A 1 91 ? 0.528 -0.959 -2.196 1.00 50.96 ? 106 TRP B CZ3 1 ATOM 700 C CH2 . TRP A 1 91 ? 0.780 0.295 -1.628 1.00 52.38 ? 106 TRP B CH2 1 ATOM 701 N N . ILE A 1 92 ? -3.575 -5.902 -0.192 1.00 46.55 ? 107 ILE B N 1 ATOM 702 C CA . ILE A 1 92 ? -4.296 -7.156 -0.228 1.00 48.14 ? 107 ILE B CA 1 ATOM 703 C C . ILE A 1 92 ? -5.084 -7.236 1.059 1.00 51.97 ? 107 ILE B C 1 ATOM 704 O O . ILE A 1 92 ? -4.615 -6.894 2.144 1.00 52.43 ? 107 ILE B O 1 ATOM 705 C CB . ILE A 1 92 ? -3.387 -8.397 -0.397 1.00 48.42 ? 107 ILE B CB 1 ATOM 706 C CG1 . ILE A 1 92 ? -2.823 -8.444 -1.819 1.00 45.35 ? 107 ILE B CG1 1 ATOM 707 C CG2 . ILE A 1 92 ? -4.155 -9.688 -0.153 1.00 49.25 ? 107 ILE B CG2 1 ATOM 708 C CD1 . ILE A 1 92 ? -1.801 -9.542 -2.051 1.00 47.91 ? 107 ILE B CD1 1 ATOM 709 N N . GLN A 1 93 ? -6.322 -7.636 0.908 1.00 53.37 ? 108 GLN B N 1 ATOM 710 C CA . GLN A 1 93 ? -7.144 -7.928 2.026 1.00 58.32 ? 108 GLN B CA 1 ATOM 711 C C . GLN A 1 93 ? -7.820 -9.219 1.605 1.00 60.72 ? 108 GLN B C 1 ATOM 712 O O . GLN A 1 93 ? -7.964 -9.465 0.396 1.00 59.45 ? 108 GLN B O 1 ATOM 713 C CB . GLN A 1 93 ? -8.128 -6.788 2.255 1.00 58.14 ? 108 GLN B CB 1 ATOM 714 C CG . GLN A 1 93 ? -7.470 -5.431 2.525 1.00 58.01 ? 108 GLN B CG 1 ATOM 715 C CD . GLN A 1 93 ? -8.468 -4.358 2.951 1.00 61.93 ? 108 GLN B CD 1 ATOM 716 O OE1 . GLN A 1 93 ? -9.610 -4.654 3.303 1.00 60.43 ? 108 GLN B OE1 1 ATOM 717 N NE2 . GLN A 1 93 ? -8.041 -3.102 2.910 1.00 61.96 ? 108 GLN B NE2 1 ATOM 718 N N . PRO A 1 94 ? -8.191 -10.069 2.580 1.00 62.53 ? 109 PRO B N 1 ATOM 719 C CA . PRO A 1 94 ? -9.070 -11.203 2.276 1.00 64.13 ? 109 PRO B CA 1 ATOM 720 C C . PRO A 1 94 ? -10.314 -10.783 1.449 1.00 61.90 ? 109 PRO B C 1 ATOM 721 O O . PRO A 1 94 ? -10.733 -9.620 1.505 1.00 54.14 ? 109 PRO B O 1 ATOM 722 C CB . PRO A 1 94 ? -9.489 -11.706 3.670 1.00 64.60 ? 109 PRO B CB 1 ATOM 723 C CG . PRO A 1 94 ? -8.386 -11.289 4.579 1.00 65.90 ? 109 PRO B CG 1 ATOM 724 C CD . PRO A 1 94 ? -7.788 -10.038 4.002 1.00 64.84 ? 109 PRO B CD 1 ATOM 725 N N . GLY A 1 108 ? -7.752 -16.675 -0.554 1.00 59.46 ? 123 GLY B N 1 ATOM 726 C CA . GLY A 1 108 ? -8.684 -16.010 -1.480 1.00 59.14 ? 123 GLY B CA 1 ATOM 727 C C . GLY A 1 108 ? -8.622 -14.522 -1.228 1.00 59.17 ? 123 GLY B C 1 ATOM 728 O O . GLY A 1 108 ? -8.993 -14.062 -0.148 1.00 60.34 ? 123 GLY B O 1 ATOM 729 N N . GLU A 1 109 ? -8.101 -13.762 -2.179 1.00 55.53 ? 124 GLU B N 1 ATOM 730 C CA . GLU A 1 109 ? -7.791 -12.378 -1.893 1.00 53.72 ? 124 GLU B CA 1 ATOM 731 C C . GLU A 1 109 ? -8.171 -11.447 -3.024 1.00 51.36 ? 124 GLU B C 1 ATOM 732 O O . GLU A 1 109 ? -8.432 -11.847 -4.152 1.00 49.06 ? 124 GLU B O 1 ATOM 733 C CB . GLU A 1 109 ? -6.311 -12.205 -1.553 1.00 55.23 ? 124 GLU B CB 1 ATOM 734 C CG . GLU A 1 109 ? -5.767 -13.189 -0.520 1.00 59.75 ? 124 GLU B CG 1 ATOM 735 C CD . GLU A 1 109 ? -4.280 -12.998 -0.226 1.00 63.77 ? 124 GLU B CD 1 ATOM 736 O OE1 . GLU A 1 109 ? -3.496 -12.729 -1.172 1.00 59.80 ? 124 GLU B OE1 1 ATOM 737 O OE2 . GLU A 1 109 ? -3.885 -13.128 0.959 1.00 60.02 ? 124 GLU B OE2 1 ATOM 738 N N . ARG A 1 110 ? -8.209 -10.182 -2.677 1.00 47.23 ? 125 ARG B N 1 ATOM 739 C CA . ARG A 1 110 ? -8.444 -9.156 -3.624 1.00 46.58 ? 125 ARG B CA 1 ATOM 740 C C . ARG A 1 110 ? -7.666 -8.016 -3.066 1.00 45.97 ? 125 ARG B C 1 ATOM 741 O O . ARG A 1 110 ? -6.946 -8.185 -2.092 1.00 48.50 ? 125 ARG B O 1 ATOM 742 C CB . ARG A 1 110 ? -9.937 -8.854 -3.677 1.00 47.09 ? 125 ARG B CB 1 ATOM 743 C CG . ARG A 1 110 ? -10.494 -8.342 -2.359 1.00 49.66 ? 125 ARG B CG 1 ATOM 744 C CD . ARG A 1 110 ? -11.820 -7.643 -2.576 1.00 51.54 ? 125 ARG B CD 1 ATOM 745 N NE . ARG A 1 110 ? -11.656 -6.297 -3.124 1.00 54.53 ? 125 ARG B NE 1 ATOM 746 C CZ . ARG A 1 110 ? -12.656 -5.428 -3.311 1.00 52.77 ? 125 ARG B CZ 1 ATOM 747 N NH1 . ARG A 1 110 ? -13.909 -5.753 -2.981 1.00 54.06 ? 125 ARG B NH1 1 ATOM 748 N NH2 . ARG A 1 110 ? -12.396 -4.220 -3.807 1.00 48.83 ? 125 ARG B NH2 1 ATOM 749 N N . VAL A 1 111 ? -7.853 -6.853 -3.649 1.00 44.26 ? 126 VAL B N 1 ATOM 750 C CA . VAL A 1 111 ? -7.135 -5.677 -3.265 1.00 46.17 ? 126 VAL B CA 1 ATOM 751 C C . VAL A 1 111 ? -8.186 -4.595 -2.979 1.00 49.22 ? 126 VAL B C 1 ATOM 752 O O . VAL A 1 111 ? -9.304 -4.638 -3.515 1.00 48.85 ? 126 VAL B O 1 ATOM 753 C CB . VAL A 1 111 ? -6.106 -5.383 -4.377 1.00 51.63 ? 126 VAL B CB 1 ATOM 754 C CG1 . VAL A 1 111 ? -6.037 -3.932 -4.759 1.00 54.33 ? 126 VAL B CG1 1 ATOM 755 C CG2 . VAL A 1 111 ? -4.733 -5.929 -3.983 1.00 50.91 ? 126 VAL B CG2 1 ATOM 756 N N . VAL A 1 112 ? -7.863 -3.686 -2.064 1.00 50.13 ? 127 VAL B N 1 ATOM 757 C CA . VAL A 1 112 ? -8.798 -2.631 -1.673 1.00 50.91 ? 127 VAL B CA 1 ATOM 758 C C . VAL A 1 112 ? -8.021 -1.326 -1.576 1.00 51.72 ? 127 VAL B C 1 ATOM 759 O O . VAL A 1 112 ? -7.009 -1.249 -0.888 1.00 50.88 ? 127 VAL B O 1 ATOM 760 C CB . VAL A 1 112 ? -9.524 -2.960 -0.342 1.00 50.94 ? 127 VAL B CB 1 ATOM 761 C CG1 . VAL A 1 112 ? -10.445 -1.819 0.086 1.00 51.45 ? 127 VAL B CG1 1 ATOM 762 C CG2 . VAL A 1 112 ? -10.335 -4.248 -0.465 1.00 51.66 ? 127 VAL B CG2 1 ATOM 763 N N . ASN A 1 113 ? -8.496 -0.305 -2.283 1.00 49.95 ? 128 ASN B N 1 ATOM 764 C CA . ASN A 1 113 ? -7.981 1.055 -2.145 1.00 51.62 ? 128 ASN B CA 1 ATOM 765 C C . ASN A 1 113 ? -6.493 1.219 -2.447 1.00 52.61 ? 128 ASN B C 1 ATOM 766 O O . ASN A 1 113 ? -5.808 1.973 -1.766 1.00 54.88 ? 128 ASN B O 1 ATOM 767 C CB . ASN A 1 113 ? -8.285 1.617 -0.731 1.00 53.91 ? 128 ASN B CB 1 ATOM 768 C CG . ASN A 1 113 ? -9.758 1.909 -0.503 1.00 54.87 ? 128 ASN B CG 1 ATOM 769 O OD1 . ASN A 1 113 ? -10.541 2.057 -1.442 1.00 52.32 ? 128 ASN B OD1 1 ATOM 770 N ND2 . ASN A 1 113 ? -10.135 2.029 0.762 1.00 57.82 ? 128 ASN B ND2 1 ATOM 771 N N . VAL A 1 114 ? -5.990 0.557 -3.483 1.00 51.67 ? 129 VAL B N 1 ATOM 772 C CA . VAL A 1 114 ? -4.621 0.825 -3.902 1.00 50.62 ? 129 VAL B CA 1 ATOM 773 C C . VAL A 1 114 ? -4.569 2.286 -4.305 1.00 54.86 ? 129 VAL B C 1 ATOM 774 O O . VAL A 1 114 ? -5.356 2.707 -5.148 1.00 54.03 ? 129 VAL B O 1 ATOM 775 C CB . VAL A 1 114 ? -4.173 -0.013 -5.107 1.00 49.51 ? 129 VAL B CB 1 ATOM 776 C CG1 . VAL A 1 114 ? -2.823 0.456 -5.617 1.00 47.44 ? 129 VAL B CG1 1 ATOM 777 C CG2 . VAL A 1 114 ? -4.074 -1.464 -4.719 1.00 48.64 ? 129 VAL B CG2 1 ATOM 778 N N . PRO A 1 115 ? -3.660 3.065 -3.703 1.00 59.90 ? 130 PRO B N 1 ATOM 779 C CA . PRO A 1 115 ? -3.576 4.489 -4.024 1.00 59.82 ? 130 PRO B CA 1 ATOM 780 C C . PRO A 1 115 ? -2.918 4.758 -5.367 1.00 56.90 ? 130 PRO B C 1 ATOM 781 O O . PRO A 1 115 ? -1.692 4.697 -5.479 1.00 55.97 ? 130 PRO B O 1 ATOM 782 C CB . PRO A 1 115 ? -2.724 5.050 -2.883 1.00 63.42 ? 130 PRO B CB 1 ATOM 783 C CG . PRO A 1 115 ? -1.879 3.899 -2.456 1.00 61.26 ? 130 PRO B CG 1 ATOM 784 C CD . PRO A 1 115 ? -2.776 2.709 -2.578 1.00 60.62 ? 130 PRO B CD 1 ATOM 785 N N . LEU A 1 116 ? -3.742 5.037 -6.380 1.00 55.59 ? 131 LEU B N 1 ATOM 786 C CA . LEU A 1 116 ? -3.255 5.396 -7.701 1.00 54.13 ? 131 LEU B CA 1 ATOM 787 C C . LEU A 1 116 ? -2.931 6.855 -7.730 1.00 52.25 ? 131 LEU B C 1 ATOM 788 O O . LEU A 1 116 ? -3.716 7.675 -7.264 1.00 56.43 ? 131 LEU B O 1 ATOM 789 C CB . LEU A 1 116 ? -4.293 5.116 -8.794 1.00 55.46 ? 131 LEU B CB 1 ATOM 790 C CG . LEU A 1 116 ? -4.638 3.654 -9.063 1.00 57.34 ? 131 LEU B CG 1 ATOM 791 C CD1 . LEU A 1 116 ? -5.603 3.561 -10.234 1.00 58.32 ? 131 LEU B CD1 1 ATOM 792 C CD2 . LEU A 1 116 ? -3.381 2.844 -9.344 1.00 57.66 ? 131 LEU B CD2 1 ATOM 793 N N . CYS A 1 117 ? -1.801 7.190 -8.330 1.00 54.72 ? 132 CYS B N 1 ATOM 794 C CA . CYS A 1 117 ? -1.416 8.577 -8.437 1.00 56.91 ? 132 CYS B CA 1 ATOM 795 C C . CYS A 1 117 ? -2.435 9.404 -9.203 1.00 60.36 ? 132 CYS B C 1 ATOM 796 O O . CYS A 1 117 ? -3.239 8.904 -10.013 1.00 53.37 ? 132 CYS B O 1 ATOM 797 C CB . CYS A 1 117 ? -0.045 8.733 -9.082 1.00 57.38 ? 132 CYS B CB 1 ATOM 798 S SG . CYS A 1 117 ? 1.282 7.913 -8.181 1.00 61.75 ? 132 CYS B SG 1 ATOM 799 N N . GLN A 1 118 ? -2.371 10.693 -8.924 1.00 61.20 ? 133 GLN B N 1 ATOM 800 C CA . GLN A 1 118 ? -3.294 11.656 -9.474 1.00 64.51 ? 133 GLN B CA 1 ATOM 801 C C . GLN A 1 118 ? -3.302 11.672 -11.015 1.00 61.59 ? 133 GLN B C 1 ATOM 802 O O . GLN A 1 118 ? -4.366 11.668 -11.627 1.00 58.39 ? 133 GLN B O 1 ATOM 803 C CB . GLN A 1 118 ? -2.933 13.025 -8.919 1.00 69.85 ? 133 GLN B CB 1 ATOM 804 C CG . GLN A 1 118 ? -3.964 14.087 -9.167 1.00 73.10 ? 133 GLN B CG 1 ATOM 805 C CD . GLN A 1 118 ? -3.764 15.258 -8.241 1.00 75.50 ? 133 GLN B CD 1 ATOM 806 O OE1 . GLN A 1 118 ? -2.814 16.021 -8.404 1.00 80.07 ? 133 GLN B OE1 1 ATOM 807 N NE2 . GLN A 1 118 ? -4.633 15.393 -7.246 1.00 77.37 ? 133 GLN B NE2 1 ATOM 808 N N . GLU A 1 119 ? -2.123 11.664 -11.630 1.00 60.09 ? 134 GLU B N 1 ATOM 809 C CA . GLU A 1 119 ? -2.031 11.717 -13.089 1.00 59.68 ? 134 GLU B CA 1 ATOM 810 C C . GLU A 1 119 ? -2.597 10.467 -13.741 1.00 55.67 ? 134 GLU B C 1 ATOM 811 O O . GLU A 1 119 ? -3.169 10.546 -14.810 1.00 56.56 ? 134 GLU B O 1 ATOM 812 C CB . GLU A 1 119 ? -0.595 11.905 -13.560 1.00 62.32 ? 134 GLU B CB 1 ATOM 813 C CG . GLU A 1 119 ? 0.020 13.227 -13.152 1.00 67.01 ? 134 GLU B CG 1 ATOM 814 C CD . GLU A 1 119 ? 0.881 13.112 -11.914 1.00 67.90 ? 134 GLU B CD 1 ATOM 815 O OE1 . GLU A 1 119 ? 0.479 12.417 -10.952 1.00 65.55 ? 134 GLU B OE1 1 ATOM 816 O OE2 . GLU A 1 119 ? 1.968 13.716 -11.911 1.00 72.74 ? 134 GLU B OE2 1 ATOM 817 N N . ASP A 1 120 ? -2.437 9.319 -13.091 1.00 57.12 ? 135 ASP B N 1 ATOM 818 C CA . ASP A 1 120 ? -3.006 8.076 -13.590 1.00 56.61 ? 135 ASP B CA 1 ATOM 819 C C . ASP A 1 120 ? -4.519 8.162 -13.661 1.00 57.87 ? 135 ASP B C 1 ATOM 820 O O . ASP A 1 120 ? -5.097 7.815 -14.675 1.00 58.30 ? 135 ASP B O 1 ATOM 821 C CB . ASP A 1 120 ? -2.580 6.896 -12.735 1.00 56.53 ? 135 ASP B CB 1 ATOM 822 C CG . ASP A 1 120 ? -1.113 6.609 -12.867 1.00 58.39 ? 135 ASP B CG 1 ATOM 823 O OD1 . ASP A 1 120 ? -0.294 7.456 -12.450 1.00 60.08 ? 135 ASP B OD1 1 ATOM 824 O OD2 . ASP A 1 120 ? -0.761 5.555 -13.431 1.00 53.14 ? 135 ASP B OD2 1 ATOM 825 N N . CYS A 1 121 ? -5.152 8.657 -12.605 1.00 57.30 ? 136 CYS B N 1 ATOM 826 C CA . CYS A 1 121 ? -6.598 8.877 -12.628 1.00 60.64 ? 136 CYS B CA 1 ATOM 827 C C . CYS A 1 121 ? -6.989 10.007 -13.595 1.00 59.50 ? 136 CYS B C 1 ATOM 828 O O . CYS A 1 121 ? -7.946 9.863 -14.360 1.00 54.79 ? 136 CYS B O 1 ATOM 829 C CB . CYS A 1 121 ? -7.149 9.131 -11.210 1.00 65.88 ? 136 CYS B CB 1 ATOM 830 S SG . CYS A 1 121 ? -7.159 7.674 -10.121 1.00 69.26 ? 136 CYS B SG 1 ATOM 831 N N . GLU A 1 122 ? -6.236 11.104 -13.595 1.00 60.67 ? 137 GLU B N 1 ATOM 832 C CA . GLU A 1 122 ? -6.602 12.262 -14.417 1.00 61.27 ? 137 GLU B CA 1 ATOM 833 C C . GLU A 1 122 ? -6.617 11.958 -15.918 1.00 61.37 ? 137 GLU B C 1 ATOM 834 O O . GLU A 1 122 ? -7.600 12.265 -16.586 1.00 58.71 ? 137 GLU B O 1 ATOM 835 C CB . GLU A 1 122 ? -5.710 13.465 -14.111 1.00 65.16 ? 137 GLU B CB 1 ATOM 836 C CG . GLU A 1 122 ? -6.073 14.138 -12.787 1.00 71.01 ? 137 GLU B CG 1 ATOM 837 C CD . GLU A 1 122 ? -5.118 15.245 -12.358 1.00 74.27 ? 137 GLU B CD 1 ATOM 838 O OE1 . GLU A 1 122 ? -3.995 15.348 -12.897 1.00 74.06 ? 137 GLU B OE1 1 ATOM 839 O OE2 . GLU A 1 122 ? -5.494 16.019 -11.451 1.00 80.44 ? 137 GLU B OE2 1 ATOM 840 N N . GLU A 1 123 ? -5.544 11.358 -16.434 1.00 60.72 ? 138 GLU B N 1 ATOM 841 C CA . GLU A 1 123 ? -5.436 11.033 -17.875 1.00 59.63 ? 138 GLU B CA 1 ATOM 842 C C . GLU A 1 123 ? -6.474 10.013 -18.313 1.00 53.72 ? 138 GLU B C 1 ATOM 843 O O . GLU A 1 123 ? -7.051 10.123 -19.389 1.00 50.67 ? 138 GLU B O 1 ATOM 844 C CB . GLU A 1 123 ? -4.052 10.476 -18.220 1.00 63.13 ? 138 GLU B CB 1 ATOM 845 C CG . GLU A 1 123 ? -2.951 11.519 -18.289 1.00 68.99 ? 138 GLU B CG 1 ATOM 846 C CD . GLU A 1 123 ? -1.568 10.912 -18.153 1.00 71.48 ? 138 GLU B CD 1 ATOM 847 O OE1 . GLU A 1 123 ? -1.312 9.848 -18.758 1.00 77.15 ? 138 GLU B OE1 1 ATOM 848 O OE2 . GLU A 1 123 ? -0.732 11.499 -17.440 1.00 75.49 ? 138 GLU B OE2 1 ATOM 849 N N . TRP A 1 124 ? -6.672 9.004 -17.477 1.00 49.83 ? 139 TRP B N 1 ATOM 850 C CA . TRP A 1 124 ? -7.676 7.979 -17.708 1.00 46.03 ? 139 TRP B CA 1 ATOM 851 C C . TRP A 1 124 ? -9.022 8.663 -17.931 1.00 47.32 ? 139 TRP B C 1 ATOM 852 O O . TRP A 1 124 ? -9.723 8.393 -18.909 1.00 41.16 ? 139 TRP B O 1 ATOM 853 C CB . TRP A 1 124 ? -7.714 7.062 -16.491 1.00 44.85 ? 139 TRP B CB 1 ATOM 854 C CG . TRP A 1 124 ? -8.495 5.823 -16.599 1.00 43.72 ? 139 TRP B CG 1 ATOM 855 C CD1 . TRP A 1 124 ? -9.380 5.464 -17.578 1.00 43.02 ? 139 TRP B CD1 1 ATOM 856 C CD2 . TRP A 1 124 ? -8.499 4.761 -15.648 1.00 42.32 ? 139 TRP B CD2 1 ATOM 857 N NE1 . TRP A 1 124 ? -9.916 4.235 -17.300 1.00 41.46 ? 139 TRP B NE1 1 ATOM 858 C CE2 . TRP A 1 124 ? -9.393 3.779 -16.119 1.00 40.65 ? 139 TRP B CE2 1 ATOM 859 C CE3 . TRP A 1 124 ? -7.822 4.539 -14.442 1.00 42.77 ? 139 TRP B CE3 1 ATOM 860 C CZ2 . TRP A 1 124 ? -9.632 2.592 -15.426 1.00 40.80 ? 139 TRP B CZ2 1 ATOM 861 C CZ3 . TRP A 1 124 ? -8.055 3.358 -13.754 1.00 44.46 ? 139 TRP B CZ3 1 ATOM 862 C CH2 . TRP A 1 124 ? -8.957 2.398 -14.248 1.00 43.52 ? 139 TRP B CH2 1 ATOM 863 N N . TRP A 1 125 ? -9.348 9.582 -17.031 1.00 48.35 ? 140 TRP B N 1 ATOM 864 C CA . TRP A 1 125 ? -10.593 10.338 -17.110 1.00 48.14 ? 140 TRP B CA 1 ATOM 865 C C . TRP A 1 125 ? -10.665 11.192 -18.356 1.00 45.76 ? 140 TRP B C 1 ATOM 866 O O . TRP A 1 125 ? -11.663 11.162 -19.064 1.00 46.74 ? 140 TRP B O 1 ATOM 867 C CB . TRP A 1 125 ? -10.760 11.196 -15.863 1.00 49.20 ? 140 TRP B CB 1 ATOM 868 C CG . TRP A 1 125 ? -12.097 11.813 -15.754 1.00 51.11 ? 140 TRP B CG 1 ATOM 869 C CD1 . TRP A 1 125 ? -13.208 11.281 -15.171 1.00 50.26 ? 140 TRP B CD1 1 ATOM 870 C CD2 . TRP A 1 125 ? -12.472 13.092 -16.252 1.00 51.66 ? 140 TRP B CD2 1 ATOM 871 N NE1 . TRP A 1 125 ? -14.251 12.163 -15.258 1.00 51.28 ? 140 TRP B NE1 1 ATOM 872 C CE2 . TRP A 1 125 ? -13.830 13.283 -15.926 1.00 53.08 ? 140 TRP B CE2 1 ATOM 873 C CE3 . TRP A 1 125 ? -11.789 14.099 -16.949 1.00 54.37 ? 140 TRP B CE3 1 ATOM 874 C CZ2 . TRP A 1 125 ? -14.528 14.447 -16.274 1.00 54.61 ? 140 TRP B CZ2 1 ATOM 875 C CZ3 . TRP A 1 125 ? -12.474 15.267 -17.282 1.00 56.08 ? 140 TRP B CZ3 1 ATOM 876 C CH2 . TRP A 1 125 ? -13.836 15.426 -16.948 1.00 56.00 ? 140 TRP B CH2 1 ATOM 877 N N . GLU A 1 126 ? -9.609 11.949 -18.621 1.00 49.62 ? 141 GLU B N 1 ATOM 878 C CA . GLU A 1 126 ? -9.543 12.794 -19.815 1.00 52.75 ? 141 GLU B CA 1 ATOM 879 C C . GLU A 1 126 ? -9.793 11.958 -21.086 1.00 49.46 ? 141 GLU B C 1 ATOM 880 O O . GLU A 1 126 ? -10.649 12.295 -21.910 1.00 43.63 ? 141 GLU B O 1 ATOM 881 C CB . GLU A 1 126 ? -8.172 13.499 -19.856 1.00 58.68 ? 141 GLU B CB 1 ATOM 882 C CG . GLU A 1 126 ? -7.918 14.453 -21.020 1.00 61.49 ? 141 GLU B CG 1 ATOM 883 C CD . GLU A 1 126 ? -8.913 15.588 -21.100 1.00 62.98 ? 141 GLU B CD 1 ATOM 884 O OE1 . GLU A 1 126 ? -9.519 15.970 -20.069 1.00 61.21 ? 141 GLU B OE1 1 ATOM 885 O OE2 . GLU A 1 126 ? -9.156 16.078 -22.224 1.00 71.96 ? 141 GLU B OE2 1 ATOM 886 N N . ASP A 1 127 ? -9.078 10.841 -21.210 1.00 46.58 ? 142 ASP B N 1 ATOM 887 C CA . ASP A 1 127 ? -9.185 9.996 -22.406 1.00 46.14 ? 142 ASP B CA 1 ATOM 888 C C . ASP A 1 127 ? -10.498 9.227 -22.518 1.00 43.01 ? 142 ASP B C 1 ATOM 889 O O . ASP A 1 127 ? -10.789 8.696 -23.575 1.00 42.53 ? 142 ASP B O 1 ATOM 890 C CB . ASP A 1 127 ? -8.015 9.022 -22.485 1.00 45.82 ? 142 ASP B CB 1 ATOM 891 C CG . ASP A 1 127 ? -6.682 9.724 -22.654 1.00 48.61 ? 142 ASP B CG 1 ATOM 892 O OD1 . ASP A 1 127 ? -6.643 10.907 -23.059 1.00 52.87 ? 142 ASP B OD1 1 ATOM 893 O OD2 . ASP A 1 127 ? -5.663 9.080 -22.371 1.00 49.72 ? 142 ASP B OD2 1 ATOM 894 N N . CYS A 1 128 ? -11.273 9.151 -21.442 1.00 41.40 ? 143 CYS B N 1 ATOM 895 C CA . CYS A 1 128 ? -12.577 8.483 -21.470 1.00 41.09 ? 143 CYS B CA 1 ATOM 896 C C . CYS A 1 128 ? -13.791 9.411 -21.497 1.00 41.30 ? 143 CYS B C 1 ATOM 897 O O . CYS A 1 128 ? -14.909 8.918 -21.554 1.00 36.63 ? 143 CYS B O 1 ATOM 898 C CB . CYS A 1 128 ? -12.692 7.526 -20.282 1.00 42.47 ? 143 CYS B CB 1 ATOM 899 S SG . CYS A 1 128 ? -11.635 6.062 -20.397 1.00 40.52 ? 143 CYS B SG 1 ATOM 900 N N . ARG A 1 129 ? -13.597 10.728 -21.488 1.00 43.17 ? 144 ARG B N 1 ATOM 901 C CA . ARG A 1 129 ? -14.737 11.662 -21.394 1.00 48.32 ? 144 ARG B CA 1 ATOM 902 C C . ARG A 1 129 ? -15.846 11.443 -22.410 1.00 45.18 ? 144 ARG B C 1 ATOM 903 O O . ARG A 1 129 ? -17.020 11.483 -22.064 1.00 42.93 ? 144 ARG B O 1 ATOM 904 C CB . ARG A 1 129 ? -14.287 13.097 -21.587 1.00 54.53 ? 144 ARG B CB 1 ATOM 905 C CG . ARG A 1 129 ? -13.494 13.672 -20.447 1.00 63.24 ? 144 ARG B CG 1 ATOM 906 C CD . ARG A 1 129 ? -13.769 15.173 -20.353 1.00 72.03 ? 144 ARG B CD 1 ATOM 907 N NE . ARG A 1 129 ? -13.563 15.861 -21.631 1.00 75.02 ? 144 ARG B NE 1 ATOM 908 C CZ . ARG A 1 129 ? -12.376 16.191 -22.142 1.00 79.02 ? 144 ARG B CZ 1 ATOM 909 N NH1 . ARG A 1 129 ? -12.313 16.813 -23.315 1.00 81.34 ? 144 ARG B NH1 1 ATOM 910 N NH2 . ARG A 1 129 ? -11.263 15.895 -21.512 1.00 86.11 ? 144 ARG B NH2 1 ATOM 911 N N . MET A 1 130 ? -15.479 11.249 -23.663 1.00 41.89 ? 145 MET B N 1 ATOM 912 C CA . MET A 1 130 ? -16.473 11.126 -24.723 1.00 42.57 ? 145 MET B CA 1 ATOM 913 C C . MET A 1 130 ? -16.874 9.698 -25.035 1.00 37.85 ? 145 MET B C 1 ATOM 914 O O . MET A 1 130 ? -17.681 9.464 -25.924 1.00 36.75 ? 145 MET B O 1 ATOM 915 C CB . MET A 1 130 ? -15.970 11.856 -25.954 1.00 48.54 ? 145 MET B CB 1 ATOM 916 C CG . MET A 1 130 ? -15.727 13.325 -25.671 1.00 53.93 ? 145 MET B CG 1 ATOM 917 S SD . MET A 1 130 ? -17.280 14.234 -25.587 1.00 68.54 ? 145 MET B SD 1 ATOM 918 C CE . MET A 1 130 ? -17.832 14.067 -23.894 1.00 64.24 ? 145 MET B CE 1 ATOM 919 N N . SER A 1 131 ? -16.353 8.733 -24.287 1.00 35.60 ? 146 SER B N 1 ATOM 920 C CA . SER A 1 131 ? -16.927 7.390 -24.309 1.00 35.28 ? 146 SER B CA 1 ATOM 921 C C . SER A 1 131 ? -18.225 7.408 -23.500 1.00 37.09 ? 146 SER B C 1 ATOM 922 O O . SER A 1 131 ? -18.509 8.382 -22.792 1.00 37.10 ? 146 SER B O 1 ATOM 923 C CB . SER A 1 131 ? -15.940 6.371 -23.745 1.00 36.80 ? 146 SER B CB 1 ATOM 924 O OG . SER A 1 131 ? -14.742 6.372 -24.514 1.00 34.74 ? 146 SER B OG 1 ATOM 925 N N . TYR A 1 132 ? -19.018 6.350 -23.640 1.00 36.80 ? 147 TYR B N 1 ATOM 926 C CA . TYR A 1 132 ? -20.330 6.255 -23.004 1.00 38.24 ? 147 TYR B CA 1 ATOM 927 C C . TYR A 1 132 ? -20.431 5.048 -22.073 1.00 40.36 ? 147 TYR B C 1 ATOM 928 O O . TYR A 1 132 ? -19.955 3.972 -22.398 1.00 38.66 ? 147 TYR B O 1 ATOM 929 C CB . TYR A 1 132 ? -21.429 6.145 -24.063 1.00 39.94 ? 147 TYR B CB 1 ATOM 930 C CG . TYR A 1 132 ? -21.823 7.468 -24.677 1.00 40.02 ? 147 TYR B CG 1 ATOM 931 C CD1 . TYR A 1 132 ? -20.915 8.207 -25.429 1.00 39.37 ? 147 TYR B CD1 1 ATOM 932 C CD2 . TYR A 1 132 ? -23.116 7.976 -24.522 1.00 40.47 ? 147 TYR B CD2 1 ATOM 933 C CE1 . TYR A 1 132 ? -21.264 9.419 -25.995 1.00 41.34 ? 147 TYR B CE1 1 ATOM 934 C CE2 . TYR A 1 132 ? -23.474 9.195 -25.080 1.00 40.96 ? 147 TYR B CE2 1 ATOM 935 C CZ . TYR A 1 132 ? -22.544 9.912 -25.811 1.00 41.70 ? 147 TYR B CZ 1 ATOM 936 O OH . TYR A 1 132 ? -22.880 11.109 -26.369 1.00 41.98 ? 147 TYR B OH 1 ATOM 937 N N . THR A 1 133 ? -21.070 5.249 -20.923 1.00 39.80 ? 148 THR B N 1 ATOM 938 C CA . THR A 1 133 ? -21.506 4.171 -20.047 1.00 42.55 ? 148 THR B CA 1 ATOM 939 C C . THR A 1 133 ? -22.933 4.470 -19.571 1.00 43.89 ? 148 THR B C 1 ATOM 940 O O . THR A 1 133 ? -23.505 5.523 -19.891 1.00 41.09 ? 148 THR B O 1 ATOM 941 C CB . THR A 1 133 ? -20.555 4.002 -18.838 1.00 43.59 ? 148 THR B CB 1 ATOM 942 O OG1 . THR A 1 133 ? -20.938 2.853 -18.074 1.00 40.36 ? 148 THR B OG1 1 ATOM 943 C CG2 . THR A 1 133 ? -20.543 5.252 -17.941 1.00 45.89 ? 148 THR B CG2 1 ATOM 944 N N . CYS A 1 134 ? -23.512 3.524 -18.844 1.00 43.31 ? 149 CYS B N 1 ATOM 945 C CA . CYS A 1 134 ? -24.875 3.676 -18.346 1.00 45.38 ? 149 CYS B CA 1 ATOM 946 C C . CYS A 1 134 ? -24.992 3.653 -16.825 1.00 47.18 ? 149 CYS B C 1 ATOM 947 O O . CYS A 1 134 ? -26.089 3.847 -16.297 1.00 41.43 ? 149 CYS B O 1 ATOM 948 C CB . CYS A 1 134 ? -25.758 2.589 -18.940 1.00 47.48 ? 149 CYS B CB 1 ATOM 949 S SG . CYS A 1 134 ? -25.182 0.888 -18.637 1.00 46.36 ? 149 CYS B SG 1 ATOM 950 N N . LYS A 1 135 ? -23.879 3.418 -16.133 1.00 44.83 ? 150 LYS B N 1 ATOM 951 C CA . LYS A 1 135 ? -23.868 3.303 -14.682 1.00 47.88 ? 150 LYS B CA 1 ATOM 952 C C . LYS A 1 135 ? -22.647 3.948 -14.117 1.00 48.64 ? 150 LYS B C 1 ATOM 953 O O . LYS A 1 135 ? -21.610 4.013 -14.773 1.00 44.66 ? 150 LYS B O 1 ATOM 954 C CB . LYS A 1 135 ? -23.803 1.854 -14.257 1.00 47.22 ? 150 LYS B CB 1 ATOM 955 C CG . LYS A 1 135 ? -25.048 1.055 -14.572 1.00 49.33 ? 150 LYS B CG 1 ATOM 956 C CD . LYS A 1 135 ? -24.807 -0.425 -14.365 1.00 50.08 ? 150 LYS B CD 1 ATOM 957 C CE . LYS A 1 135 ? -24.363 -0.754 -12.939 1.00 51.17 ? 150 LYS B CE 1 ATOM 958 N NZ . LYS A 1 135 ? -25.213 -0.156 -11.871 1.00 48.73 ? 150 LYS B NZ 1 ATOM 959 N N . SER A 1 136 ? -22.775 4.396 -12.879 1.00 50.73 ? 151 SER B N 1 ATOM 960 C CA . SER A 1 136 ? -21.661 4.934 -12.116 1.00 52.79 ? 151 SER B CA 1 ATOM 961 C C . SER A 1 136 ? -21.005 3.852 -11.277 1.00 53.39 ? 151 SER B C 1 ATOM 962 O O . SER A 1 136 ? -19.815 3.913 -11.030 1.00 54.29 ? 151 SER B O 1 ATOM 963 C CB . SER A 1 136 ? -22.125 6.071 -11.202 1.00 57.21 ? 151 SER B CB 1 ATOM 964 O OG . SER A 1 136 ? -22.096 7.310 -11.881 1.00 57.12 ? 151 SER B OG 1 ATOM 965 N N . ASN A 1 137 ? -21.773 2.869 -10.832 1.00 51.52 ? 152 ASN B N 1 ATOM 966 C CA . ASN A 1 137 ? -21.249 1.873 -9.926 1.00 53.17 ? 152 ASN B CA 1 ATOM 967 C C . ASN A 1 137 ? -21.229 0.530 -10.595 1.00 49.77 ? 152 ASN B C 1 ATOM 968 O O . ASN A 1 137 ? -22.187 -0.230 -10.525 1.00 46.16 ? 152 ASN B O 1 ATOM 969 C CB . ASN A 1 137 ? -22.066 1.874 -8.644 1.00 58.08 ? 152 ASN B CB 1 ATOM 970 C CG . ASN A 1 137 ? -21.932 3.185 -7.891 1.00 62.92 ? 152 ASN B CG 1 ATOM 971 O OD1 . ASN A 1 137 ? -22.909 3.892 -7.678 1.00 66.31 ? 152 ASN B OD1 1 ATOM 972 N ND2 . ASN A 1 137 ? -20.703 3.537 -7.517 1.00 66.44 ? 152 ASN B ND2 1 ATOM 973 N N . TRP A 1 138 ? -20.102 0.266 -11.254 1.00 49.13 ? 153 TRP B N 1 ATOM 974 C CA . TRP A 1 138 ? -19.912 -0.935 -12.065 1.00 48.18 ? 153 TRP B CA 1 ATOM 975 C C . TRP A 1 138 ? -19.832 -2.234 -11.265 1.00 48.69 ? 153 TRP B C 1 ATOM 976 O O . TRP A 1 138 ? -20.030 -3.303 -11.833 1.00 49.74 ? 153 TRP B O 1 ATOM 977 C CB . TRP A 1 138 ? -18.649 -0.782 -12.928 1.00 45.24 ? 153 TRP B CB 1 ATOM 978 C CG . TRP A 1 138 ? -18.778 0.189 -14.076 1.00 45.30 ? 153 TRP B CG 1 ATOM 979 C CD1 . TRP A 1 138 ? -19.777 1.112 -14.295 1.00 45.35 ? 153 TRP B CD1 1 ATOM 980 C CD2 . TRP A 1 138 ? -17.855 0.345 -15.155 1.00 43.97 ? 153 TRP B CD2 1 ATOM 981 N NE1 . TRP A 1 138 ? -19.528 1.812 -15.453 1.00 42.61 ? 153 TRP B NE1 1 ATOM 982 C CE2 . TRP A 1 138 ? -18.355 1.368 -15.997 1.00 41.30 ? 153 TRP B CE2 1 ATOM 983 C CE3 . TRP A 1 138 ? -16.646 -0.279 -15.492 1.00 41.25 ? 153 TRP B CE3 1 ATOM 984 C CZ2 . TRP A 1 138 ? -17.687 1.776 -17.153 1.00 39.81 ? 153 TRP B CZ2 1 ATOM 985 C CZ3 . TRP A 1 138 ? -15.997 0.118 -16.647 1.00 41.81 ? 153 TRP B CZ3 1 ATOM 986 C CH2 . TRP A 1 138 ? -16.521 1.138 -17.466 1.00 40.03 ? 153 TRP B CH2 1 ATOM 987 N N . ARG A 1 139 ? -19.559 -2.161 -9.961 1.00 49.66 ? 154 ARG B N 1 ATOM 988 C CA . ARG A 1 139 ? -19.384 -3.384 -9.173 1.00 49.85 ? 154 ARG B CA 1 ATOM 989 C C . ARG A 1 139 ? -20.560 -4.359 -9.225 1.00 52.49 ? 154 ARG B C 1 ATOM 990 O O . ARG A 1 139 ? -20.362 -5.533 -8.967 1.00 51.07 ? 154 ARG B O 1 ATOM 991 C CB . ARG A 1 139 ? -19.050 -3.072 -7.713 1.00 50.96 ? 154 ARG B CB 1 ATOM 992 C CG . ARG A 1 139 ? -20.170 -2.459 -6.892 1.00 50.19 ? 154 ARG B CG 1 ATOM 993 C CD . ARG A 1 139 ? -19.629 -1.907 -5.577 1.00 52.66 ? 154 ARG B CD 1 ATOM 994 N NE . ARG A 1 139 ? -20.682 -1.211 -4.841 1.00 52.96 ? 154 ARG B NE 1 ATOM 995 C CZ . ARG A 1 139 ? -21.650 -1.803 -4.140 1.00 52.26 ? 154 ARG B CZ 1 ATOM 996 N NH1 . ARG A 1 139 ? -21.708 -3.135 -4.027 1.00 51.85 ? 154 ARG B NH1 1 ATOM 997 N NH2 . ARG A 1 139 ? -22.568 -1.049 -3.536 1.00 51.12 ? 154 ARG B NH2 1 ATOM 998 N N . GLY A 1 140 ? -21.769 -3.876 -9.528 1.00 50.78 ? 155 GLY B N 1 ATOM 999 C CA . GLY A 1 140 ? -22.935 -4.748 -9.631 1.00 51.76 ? 155 GLY B CA 1 ATOM 1000 C C . GLY A 1 140 ? -24.126 -3.995 -10.188 1.00 53.11 ? 155 GLY B C 1 ATOM 1001 O O . GLY A 1 140 ? -24.022 -2.817 -10.509 1.00 53.53 ? 155 GLY B O 1 ATOM 1002 N N . GLY A 1 141 ? -25.256 -4.680 -10.310 1.00 55.60 ? 156 GLY B N 1 ATOM 1003 C CA . GLY A 1 141 ? -26.478 -4.087 -10.854 1.00 54.88 ? 156 GLY B CA 1 ATOM 1004 C C . GLY A 1 141 ? -26.548 -4.036 -12.377 1.00 55.61 ? 156 GLY B C 1 ATOM 1005 O O . GLY A 1 141 ? -27.171 -3.129 -12.940 1.00 54.22 ? 156 GLY B O 1 ATOM 1006 N N . TRP A 1 142 ? -25.924 -5.011 -13.032 1.00 50.97 ? 157 TRP B N 1 ATOM 1007 C CA . TRP A 1 142 ? -25.989 -5.180 -14.480 1.00 51.41 ? 157 TRP B CA 1 ATOM 1008 C C . TRP A 1 142 ? -27.053 -6.196 -14.814 1.00 53.29 ? 157 TRP B C 1 ATOM 1009 O O . TRP A 1 142 ? -27.391 -7.020 -13.988 1.00 50.94 ? 157 TRP B O 1 ATOM 1010 C CB . TRP A 1 142 ? -24.653 -5.700 -15.005 1.00 49.64 ? 157 TRP B CB 1 ATOM 1011 C CG . TRP A 1 142 ? -23.590 -4.713 -14.843 1.00 47.06 ? 157 TRP B CG 1 ATOM 1012 C CD1 . TRP A 1 142 ? -22.727 -4.597 -13.801 1.00 46.58 ? 157 TRP B CD1 1 ATOM 1013 C CD2 . TRP A 1 142 ? -23.294 -3.647 -15.739 1.00 45.69 ? 157 TRP B CD2 1 ATOM 1014 N NE1 . TRP A 1 142 ? -21.889 -3.524 -14.000 1.00 46.91 ? 157 TRP B NE1 1 ATOM 1015 C CE2 . TRP A 1 142 ? -22.224 -2.921 -15.184 1.00 44.61 ? 157 TRP B CE2 1 ATOM 1016 C CE3 . TRP A 1 142 ? -23.840 -3.227 -16.959 1.00 45.63 ? 157 TRP B CE3 1 ATOM 1017 C CZ2 . TRP A 1 142 ? -21.673 -1.813 -15.812 1.00 43.97 ? 157 TRP B CZ2 1 ATOM 1018 C CZ3 . TRP A 1 142 ? -23.303 -2.122 -17.576 1.00 44.01 ? 157 TRP B CZ3 1 ATOM 1019 C CH2 . TRP A 1 142 ? -22.226 -1.425 -17.004 1.00 44.68 ? 157 TRP B CH2 1 ATOM 1020 N N . ASP A 1 143 ? -27.562 -6.127 -16.034 1.00 55.80 ? 158 ASP B N 1 ATOM 1021 C CA . ASP A 1 143 ? -28.390 -7.176 -16.596 1.00 60.49 ? 158 ASP B CA 1 ATOM 1022 C C . ASP A 1 143 ? -27.422 -8.195 -17.198 1.00 62.28 ? 158 ASP B C 1 ATOM 1023 O O . ASP A 1 143 ? -26.687 -7.871 -18.121 1.00 63.30 ? 158 ASP B O 1 ATOM 1024 C CB . ASP A 1 143 ? -29.320 -6.578 -17.655 1.00 62.77 ? 158 ASP B CB 1 ATOM 1025 C CG . ASP A 1 143 ? -30.285 -7.588 -18.229 1.00 66.84 ? 158 ASP B CG 1 ATOM 1026 O OD1 . ASP A 1 143 ? -30.014 -8.801 -18.139 1.00 70.85 ? 158 ASP B OD1 1 ATOM 1027 O OD2 . ASP A 1 143 ? -31.318 -7.161 -18.782 1.00 71.61 ? 158 ASP B OD2 1 ATOM 1028 N N . TRP A 1 144 ? -27.422 -9.414 -16.667 1.00 65.83 ? 159 TRP B N 1 ATOM 1029 C CA . TRP A 1 144 ? -26.389 -10.414 -16.961 1.00 66.22 ? 159 TRP B CA 1 ATOM 1030 C C . TRP A 1 144 ? -26.834 -11.602 -17.788 1.00 75.11 ? 159 TRP B C 1 ATOM 1031 O O . TRP A 1 144 ? -26.106 -12.596 -17.852 1.00 74.91 ? 159 TRP B O 1 ATOM 1032 C CB . TRP A 1 144 ? -25.845 -10.954 -15.647 1.00 63.24 ? 159 TRP B CB 1 ATOM 1033 C CG . TRP A 1 144 ? -24.706 -10.236 -15.184 1.00 60.83 ? 159 TRP B CG 1 ATOM 1034 C CD1 . TRP A 1 144 ? -24.666 -9.338 -14.177 1.00 60.88 ? 159 TRP B CD1 1 ATOM 1035 C CD2 . TRP A 1 144 ? -23.391 -10.339 -15.697 1.00 61.29 ? 159 TRP B CD2 1 ATOM 1036 N NE1 . TRP A 1 144 ? -23.394 -8.865 -14.021 1.00 61.87 ? 159 TRP B NE1 1 ATOM 1037 C CE2 . TRP A 1 144 ? -22.587 -9.464 -14.947 1.00 61.32 ? 159 TRP B CE2 1 ATOM 1038 C CE3 . TRP A 1 144 ? -22.810 -11.082 -16.728 1.00 61.25 ? 159 TRP B CE3 1 ATOM 1039 C CZ2 . TRP A 1 144 ? -21.222 -9.315 -15.183 1.00 59.71 ? 159 TRP B CZ2 1 ATOM 1040 C CZ3 . TRP A 1 144 ? -21.464 -10.934 -16.965 1.00 61.44 ? 159 TRP B CZ3 1 ATOM 1041 C CH2 . TRP A 1 144 ? -20.681 -10.054 -16.193 1.00 60.10 ? 159 TRP B CH2 1 ATOM 1042 N N . SER A 1 145 ? -27.991 -11.500 -18.436 1.00 84.88 ? 160 SER B N 1 ATOM 1043 C CA . SER A 1 145 ? -28.650 -12.667 -19.037 1.00 92.20 ? 160 SER B CA 1 ATOM 1044 C C . SER A 1 145 ? -27.896 -13.315 -20.199 1.00 97.86 ? 160 SER B C 1 ATOM 1045 O O . SER A 1 145 ? -27.922 -14.536 -20.336 1.00 103.05 ? 160 SER B O 1 ATOM 1046 C CB . SER A 1 145 ? -30.041 -12.284 -19.517 1.00 92.06 ? 160 SER B CB 1 ATOM 1047 O OG . SER A 1 145 ? -29.948 -11.181 -20.394 1.00 94.89 ? 160 SER B OG 1 ATOM 1048 N N . GLN A 1 146 ? -27.224 -12.515 -21.022 1.00 95.64 ? 161 GLN B N 1 ATOM 1049 C CA . GLN A 1 146 ? -26.541 -13.041 -22.209 1.00 95.82 ? 161 GLN B CA 1 ATOM 1050 C C . GLN A 1 146 ? -25.199 -13.716 -21.970 1.00 91.20 ? 161 GLN B C 1 ATOM 1051 O O . GLN A 1 146 ? -24.637 -14.304 -22.895 1.00 90.83 ? 161 GLN B O 1 ATOM 1052 C CB . GLN A 1 146 ? -26.395 -11.929 -23.253 1.00 100.58 ? 161 GLN B CB 1 ATOM 1053 C CG . GLN A 1 146 ? -27.735 -11.325 -23.649 1.00 105.44 ? 161 GLN B CG 1 ATOM 1054 C CD . GLN A 1 146 ? -28.789 -12.396 -23.888 1.00 110.81 ? 161 GLN B CD 1 ATOM 1055 O OE1 . GLN A 1 146 ? -28.508 -13.403 -24.535 1.00 116.81 ? 161 GLN B OE1 1 ATOM 1056 N NE2 . GLN A 1 146 ? -29.992 -12.202 -23.353 1.00 112.64 ? 161 GLN B NE2 1 ATOM 1057 N N . GLY A 1 147 ? -24.691 -13.646 -20.740 1.00 88.45 ? 162 GLY B N 1 ATOM 1058 C CA . GLY A 1 147 ? -23.365 -14.155 -20.411 1.00 81.01 ? 162 GLY B CA 1 ATOM 1059 C C . GLY A 1 147 ? -22.386 -13.006 -20.316 1.00 79.26 ? 162 GLY B C 1 ATOM 1060 O O . GLY A 1 147 ? -21.315 -13.148 -19.730 1.00 78.15 ? 162 GLY B O 1 ATOM 1061 N N . LYS A 1 148 ? -22.736 -11.881 -20.934 1.00 78.93 ? 163 LYS B N 1 ATOM 1062 C CA . LYS A 1 148 ? -22.030 -10.634 -20.736 1.00 79.17 ? 163 LYS B CA 1 ATOM 1063 C C . LYS A 1 148 ? -23.063 -9.674 -20.198 1.00 68.65 ? 163 LYS B C 1 ATOM 1064 O O . LYS A 1 148 ? -24.257 -9.826 -20.441 1.00 67.78 ? 163 LYS B O 1 ATOM 1065 C CB . LYS A 1 148 ? -21.443 -10.103 -22.052 1.00 83.16 ? 163 LYS B CB 1 ATOM 1066 C CG . LYS A 1 148 ? -20.493 -11.051 -22.785 1.00 84.35 ? 163 LYS B CG 1 ATOM 1067 C CD . LYS A 1 148 ? -19.344 -11.546 -21.915 1.00 83.40 ? 163 LYS B CD 1 ATOM 1068 C CE . LYS A 1 148 ? -18.251 -12.217 -22.743 1.00 80.75 ? 163 LYS B CE 1 ATOM 1069 N NZ . LYS A 1 148 ? -18.707 -13.398 -23.523 1.00 78.90 ? 163 LYS B NZ 1 ATOM 1070 N N . ASN A 1 149 ? -22.584 -8.713 -19.438 1.00 60.84 ? 164 ASN B N 1 ATOM 1071 C CA . ASN A 1 149 ? -23.406 -7.661 -18.868 1.00 56.92 ? 164 ASN B CA 1 ATOM 1072 C C . ASN A 1 149 ? -24.025 -6.735 -19.917 1.00 54.98 ? 164 ASN B C 1 ATOM 1073 O O . ASN A 1 149 ? -23.367 -6.361 -20.883 1.00 55.09 ? 164 ASN B O 1 ATOM 1074 C CB . ASN A 1 149 ? -22.527 -6.821 -17.958 1.00 54.30 ? 164 ASN B CB 1 ATOM 1075 C CG . ASN A 1 149 ? -21.271 -6.373 -18.664 1.00 54.62 ? 164 ASN B CG 1 ATOM 1076 O OD1 . ASN A 1 149 ? -20.638 -7.180 -19.355 1.00 49.89 ? 164 ASN B OD1 1 ATOM 1077 N ND2 . ASN A 1 149 ? -20.931 -5.097 -18.558 1.00 55.36 ? 164 ASN B ND2 1 ATOM 1078 N N . ARG A 1 150 ? -25.278 -6.356 -19.697 1.00 52.97 ? 165 ARG B N 1 ATOM 1079 C CA . ARG A 1 150 ? -25.949 -5.318 -20.465 1.00 55.16 ? 165 ARG B CA 1 ATOM 1080 C C . ARG A 1 150 ? -26.459 -4.263 -19.522 1.00 51.08 ? 165 ARG B C 1 ATOM 1081 O O . ARG A 1 150 ? -26.748 -4.536 -18.347 1.00 45.74 ? 165 ARG B O 1 ATOM 1082 C CB . ARG A 1 150 ? -27.139 -5.881 -21.227 1.00 61.11 ? 165 ARG B CB 1 ATOM 1083 C CG . ARG A 1 150 ? -26.756 -6.965 -22.203 1.00 68.44 ? 165 ARG B CG 1 ATOM 1084 C CD . ARG A 1 150 ? -27.896 -7.292 -23.143 1.00 75.39 ? 165 ARG B CD 1 ATOM 1085 N NE . ARG A 1 150 ? -28.969 -8.036 -22.484 1.00 86.54 ? 165 ARG B NE 1 ATOM 1086 C CZ . ARG A 1 150 ? -30.017 -8.580 -23.108 1.00 94.02 ? 165 ARG B CZ 1 ATOM 1087 N NH1 . ARG A 1 150 ? -30.160 -8.478 -24.431 1.00 100.06 ? 165 ARG B NH1 1 ATOM 1088 N NH2 . ARG A 1 150 ? -30.935 -9.240 -22.406 1.00 95.45 ? 165 ARG B NH2 1 ATOM 1089 N N . CYS A 1 151 ? -26.615 -3.060 -20.050 1.00 48.24 ? 166 CYS B N 1 ATOM 1090 C CA . CYS A 1 151 ? -27.221 -1.976 -19.287 1.00 52.38 ? 166 CYS B CA 1 ATOM 1091 C C . CYS A 1 151 ? -28.607 -2.406 -18.747 1.00 52.35 ? 166 CYS B C 1 ATOM 1092 O O . CYS A 1 151 ? -29.394 -3.008 -19.482 1.00 51.77 ? 166 CYS B O 1 ATOM 1093 C CB . CYS A 1 151 ? -27.314 -0.707 -20.149 1.00 51.34 ? 166 CYS B CB 1 ATOM 1094 S SG . CYS A 1 151 ? -25.685 0.031 -20.467 1.00 50.47 ? 166 CYS B SG 1 ATOM 1095 N N . PRO A 1 152 ? -28.885 -2.148 -17.454 1.00 53.02 ? 167 PRO B N 1 ATOM 1096 C CA . PRO A 1 152 ? -30.213 -2.505 -16.937 1.00 58.15 ? 167 PRO B CA 1 ATOM 1097 C C . PRO A 1 152 ? -31.338 -1.618 -17.476 1.00 61.59 ? 167 PRO B C 1 ATOM 1098 O O . PRO A 1 152 ? -31.090 -0.596 -18.132 1.00 58.98 ? 167 PRO B O 1 ATOM 1099 C CB . PRO A 1 152 ? -30.065 -2.334 -15.420 1.00 58.75 ? 167 PRO B CB 1 ATOM 1100 C CG . PRO A 1 152 ? -28.941 -1.371 -15.235 1.00 57.85 ? 167 PRO B CG 1 ATOM 1101 C CD . PRO A 1 152 ? -28.035 -1.527 -16.419 1.00 55.12 ? 167 PRO B CD 1 ATOM 1102 N N . LYS A 1 153 ? -32.565 -2.001 -17.163 1.00 63.38 ? 168 LYS B N 1 ATOM 1103 C CA . LYS A 1 153 ? -33.717 -1.288 -17.643 1.00 64.28 ? 168 LYS B CA 1 ATOM 1104 C C . LYS A 1 153 ? -33.679 0.166 -17.200 1.00 61.05 ? 168 LYS B C 1 ATOM 1105 O O . LYS A 1 153 ? -33.503 0.466 -16.016 1.00 56.60 ? 168 LYS B O 1 ATOM 1106 C CB . LYS A 1 153 ? -34.975 -1.948 -17.093 1.00 69.37 ? 168 LYS B CB 1 ATOM 1107 C CG . LYS A 1 153 ? -36.276 -1.357 -17.612 1.00 72.19 ? 168 LYS B CG 1 ATOM 1108 C CD . LYS A 1 153 ? -37.470 -1.829 -16.785 1.00 76.45 ? 168 LYS B CD 1 ATOM 1109 C CE . LYS A 1 153 ? -38.691 -2.045 -17.666 1.00 80.71 ? 168 LYS B CE 1 ATOM 1110 N NZ . LYS A 1 153 ? -39.980 -1.942 -16.916 1.00 84.18 ? 168 LYS B NZ 1 ATOM 1111 N N . GLY A 1 154 ? -33.847 1.056 -18.165 1.00 62.76 ? 169 GLY B N 1 ATOM 1112 C CA . GLY A 1 154 ? -33.893 2.480 -17.892 1.00 63.53 ? 169 GLY B CA 1 ATOM 1113 C C . GLY A 1 154 ? -32.593 3.176 -17.519 1.00 64.25 ? 169 GLY B C 1 ATOM 1114 O O . GLY A 1 154 ? -32.623 4.350 -17.161 1.00 67.53 ? 169 GLY B O 1 ATOM 1115 N N . ALA A 1 155 ? -31.457 2.482 -17.593 1.00 61.32 ? 170 ALA B N 1 ATOM 1116 C CA . ALA A 1 155 ? -30.162 3.122 -17.385 1.00 58.23 ? 170 ALA B CA 1 ATOM 1117 C C . ALA A 1 155 ? -29.718 3.729 -18.724 1.00 55.59 ? 170 ALA B C 1 ATOM 1118 O O . ALA A 1 155 ? -29.446 2.999 -19.668 1.00 53.97 ? 170 ALA B O 1 ATOM 1119 C CB . ALA A 1 155 ? -29.147 2.117 -16.874 1.00 56.36 ? 170 ALA B CB 1 ATOM 1120 N N . GLN A 1 156 ? -29.692 5.059 -18.801 1.00 56.64 ? 171 GLN B N 1 ATOM 1121 C CA . GLN A 1 156 ? -29.344 5.790 -20.036 1.00 58.30 ? 171 GLN B CA 1 ATOM 1122 C C . GLN A 1 156 ? -27.862 5.745 -20.342 1.00 51.26 ? 171 GLN B C 1 ATOM 1123 O O . GLN A 1 156 ? -27.058 6.022 -19.464 1.00 52.76 ? 171 GLN B O 1 ATOM 1124 C CB . GLN A 1 156 ? -29.697 7.282 -19.915 1.00 63.22 ? 171 GLN B CB 1 ATOM 1125 C CG . GLN A 1 156 ? -31.004 7.700 -20.549 1.00 70.76 ? 171 GLN B CG 1 ATOM 1126 C CD . GLN A 1 156 ? -30.946 9.142 -21.025 1.00 74.69 ? 171 GLN B CD 1 ATOM 1127 O OE1 . GLN A 1 156 ? -30.958 10.073 -20.219 1.00 79.81 ? 171 GLN B OE1 1 ATOM 1128 N NE2 . GLN A 1 156 ? -30.866 9.333 -22.334 1.00 75.03 ? 171 GLN B NE2 1 ATOM 1129 N N . CYS A 1 157 ? -27.507 5.463 -21.589 1.00 47.93 ? 172 CYS B N 1 ATOM 1130 C CA . CYS A 1 157 ? -26.122 5.625 -22.033 1.00 45.82 ? 172 CYS B CA 1 ATOM 1131 C C . CYS A 1 157 ? -25.806 7.112 -22.193 1.00 44.17 ? 172 CYS B C 1 ATOM 1132 O O . CYS A 1 157 ? -26.494 7.834 -22.905 1.00 43.65 ? 172 CYS B O 1 ATOM 1133 C CB . CYS A 1 157 ? -25.865 4.874 -23.336 1.00 46.43 ? 172 CYS B CB 1 ATOM 1134 S SG . CYS A 1 157 ? -25.801 3.086 -23.124 1.00 48.86 ? 172 CYS B SG 1 ATOM 1135 N N . LEU A 1 158 ? -24.768 7.564 -21.514 1.00 43.39 ? 173 LEU B N 1 ATOM 1136 C CA . LEU A 1 158 ? -24.399 8.972 -21.496 1.00 44.33 ? 173 LEU B CA 1 ATOM 1137 C C . LEU A 1 158 ? -22.895 9.044 -21.383 1.00 45.80 ? 173 LEU B C 1 ATOM 1138 O O . LEU A 1 158 ? -22.253 8.030 -21.121 1.00 45.47 ? 173 LEU B O 1 ATOM 1139 C CB . LEU A 1 158 ? -25.072 9.684 -20.316 1.00 45.05 ? 173 LEU B CB 1 ATOM 1140 C CG . LEU A 1 158 ? -26.612 9.669 -20.311 1.00 46.12 ? 173 LEU B CG 1 ATOM 1141 C CD1 . LEU A 1 158 ? -27.187 10.127 -18.975 1.00 47.73 ? 173 LEU B CD1 1 ATOM 1142 C CD2 . LEU A 1 158 ? -27.147 10.530 -21.442 1.00 46.37 ? 173 LEU B CD2 1 ATOM 1143 N N . PRO A 1 159 ? -22.314 10.233 -21.580 1.00 46.88 ? 174 PRO B N 1 ATOM 1144 C CA . PRO A 1 159 ? -20.861 10.229 -21.497 1.00 46.60 ? 174 PRO B CA 1 ATOM 1145 C C . PRO A 1 159 ? -20.323 9.834 -20.112 1.00 44.14 ? 174 PRO B C 1 ATOM 1146 O O . PRO A 1 159 ? -20.980 10.059 -19.094 1.00 42.16 ? 174 PRO B O 1 ATOM 1147 C CB . PRO A 1 159 ? -20.481 11.677 -21.863 1.00 47.78 ? 174 PRO B CB 1 ATOM 1148 C CG . PRO A 1 159 ? -21.649 12.186 -22.652 1.00 47.94 ? 174 PRO B CG 1 ATOM 1149 C CD . PRO A 1 159 ? -22.840 11.539 -22.014 1.00 47.30 ? 174 PRO B CD 1 ATOM 1150 N N . PHE A 1 160 ? -19.130 9.247 -20.102 1.00 44.11 ? 175 PHE B N 1 ATOM 1151 C CA . PHE A 1 160 ? -18.370 9.003 -18.873 1.00 42.39 ? 175 PHE B CA 1 ATOM 1152 C C . PHE A 1 160 ? -18.299 10.243 -17.995 1.00 43.34 ? 175 PHE B C 1 ATOM 1153 O O . PHE A 1 160 ? -18.376 10.115 -16.803 1.00 44.93 ? 175 PHE B O 1 ATOM 1154 C CB . PHE A 1 160 ? -16.930 8.586 -19.178 1.00 41.47 ? 175 PHE B CB 1 ATOM 1155 C CG . PHE A 1 160 ? -16.730 7.103 -19.373 1.00 40.81 ? 175 PHE B CG 1 ATOM 1156 C CD1 . PHE A 1 160 ? -17.554 6.353 -20.206 1.00 38.53 ? 175 PHE B CD1 1 ATOM 1157 C CD2 . PHE A 1 160 ? -15.677 6.459 -18.731 1.00 40.62 ? 175 PHE B CD2 1 ATOM 1158 C CE1 . PHE A 1 160 ? -17.331 4.995 -20.381 1.00 41.64 ? 175 PHE B CE1 1 ATOM 1159 C CE2 . PHE A 1 160 ? -15.444 5.109 -18.915 1.00 41.10 ? 175 PHE B CE2 1 ATOM 1160 C CZ . PHE A 1 160 ? -16.268 4.371 -19.739 1.00 40.11 ? 175 PHE B CZ 1 ATOM 1161 N N . SER A 1 161 ? -18.134 11.433 -18.563 1.00 46.44 ? 176 SER B N 1 ATOM 1162 C CA . SER A 1 161 ? -18.146 12.666 -17.742 1.00 53.33 ? 176 SER B CA 1 ATOM 1163 C C . SER A 1 161 ? -19.449 12.830 -16.929 1.00 51.36 ? 176 SER B C 1 ATOM 1164 O O . SER A 1 161 ? -19.438 13.412 -15.846 1.00 56.93 ? 176 SER B O 1 ATOM 1165 C CB . SER A 1 161 ? -17.863 13.918 -18.596 1.00 54.09 ? 176 SER B CB 1 ATOM 1166 O OG . SER A 1 161 ? -18.823 14.096 -19.624 1.00 59.88 ? 176 SER B OG 1 ATOM 1167 N N . HIS A 1 162 ? -20.556 12.302 -17.439 1.00 49.18 ? 177 HIS B N 1 ATOM 1168 C CA . HIS A 1 162 ? -21.813 12.303 -16.699 1.00 53.34 ? 177 HIS B CA 1 ATOM 1169 C C . HIS A 1 162 ? -21.761 11.349 -15.508 1.00 53.70 ? 177 HIS B C 1 ATOM 1170 O O . HIS A 1 162 ? -22.023 11.760 -14.385 1.00 54.62 ? 177 HIS B O 1 ATOM 1171 C CB . HIS A 1 162 ? -22.998 11.944 -17.602 1.00 54.69 ? 177 HIS B CB 1 ATOM 1172 C CG . HIS A 1 162 ? -24.276 11.758 -16.857 1.00 58.62 ? 177 HIS B CG 1 ATOM 1173 N ND1 . HIS A 1 162 ? -25.025 12.816 -16.393 1.00 66.04 ? 177 HIS B ND1 1 ATOM 1174 C CD2 . HIS A 1 162 ? -24.927 10.638 -16.467 1.00 61.78 ? 177 HIS B CD2 1 ATOM 1175 C CE1 . HIS A 1 162 ? -26.091 12.356 -15.761 1.00 63.94 ? 177 HIS B CE1 1 ATOM 1176 N NE2 . HIS A 1 162 ? -26.055 11.036 -15.791 1.00 63.82 ? 177 HIS B NE2 1 ATOM 1177 N N . TYR A 1 163 ? -21.445 10.082 -15.756 1.00 49.92 ? 178 TYR B N 1 ATOM 1178 C CA . TYR A 1 163 ? -21.437 9.078 -14.673 1.00 51.03 ? 178 TYR B CA 1 ATOM 1179 C C . TYR A 1 163 ? -20.241 9.162 -13.734 1.00 46.93 ? 178 TYR B C 1 ATOM 1180 O O . TYR A 1 163 ? -20.349 8.798 -12.581 1.00 46.48 ? 178 TYR B O 1 ATOM 1181 C CB . TYR A 1 163 ? -21.575 7.669 -15.243 1.00 50.84 ? 178 TYR B CB 1 ATOM 1182 C CG . TYR A 1 163 ? -22.979 7.408 -15.688 1.00 47.61 ? 178 TYR B CG 1 ATOM 1183 C CD1 . TYR A 1 163 ? -23.322 7.441 -17.033 1.00 47.30 ? 178 TYR B CD1 1 ATOM 1184 C CD2 . TYR A 1 163 ? -23.985 7.174 -14.750 1.00 48.55 ? 178 TYR B CD2 1 ATOM 1185 C CE1 . TYR A 1 163 ? -24.625 7.210 -17.442 1.00 47.55 ? 178 TYR B CE1 1 ATOM 1186 C CE2 . TYR A 1 163 ? -25.295 6.954 -15.141 1.00 48.13 ? 178 TYR B CE2 1 ATOM 1187 C CZ . TYR A 1 163 ? -25.615 6.983 -16.488 1.00 49.88 ? 178 TYR B CZ 1 ATOM 1188 O OH . TYR A 1 163 ? -26.913 6.759 -16.887 1.00 48.36 ? 178 TYR B OH 1 ATOM 1189 N N . PHE A 1 164 ? -19.124 9.689 -14.218 1.00 46.23 ? 179 PHE B N 1 ATOM 1190 C CA . PHE A 1 164 ? -17.929 9.859 -13.411 1.00 48.23 ? 179 PHE B CA 1 ATOM 1191 C C . PHE A 1 164 ? -17.544 11.339 -13.433 1.00 51.55 ? 179 PHE B C 1 ATOM 1192 O O . PHE A 1 164 ? -16.660 11.746 -14.195 1.00 51.79 ? 179 PHE B O 1 ATOM 1193 C CB . PHE A 1 164 ? -16.798 8.971 -13.957 1.00 47.87 ? 179 PHE B CB 1 ATOM 1194 C CG . PHE A 1 164 ? -17.164 7.515 -14.070 1.00 46.36 ? 179 PHE B CG 1 ATOM 1195 C CD1 . PHE A 1 164 ? -17.255 6.893 -15.320 1.00 48.05 ? 179 PHE B CD1 1 ATOM 1196 C CD2 . PHE A 1 164 ? -17.407 6.760 -12.938 1.00 47.92 ? 179 PHE B CD2 1 ATOM 1197 C CE1 . PHE A 1 164 ? -17.580 5.546 -15.424 1.00 46.35 ? 179 PHE B CE1 1 ATOM 1198 C CE2 . PHE A 1 164 ? -17.737 5.418 -13.036 1.00 48.02 ? 179 PHE B CE2 1 ATOM 1199 C CZ . PHE A 1 164 ? -17.821 4.808 -14.277 1.00 48.03 ? 179 PHE B CZ 1 ATOM 1200 N N . PRO A 1 165 ? -18.215 12.165 -12.601 1.00 53.34 ? 180 PRO B N 1 ATOM 1201 C CA . PRO A 1 165 ? -17.945 13.596 -12.713 1.00 53.47 ? 180 PRO B CA 1 ATOM 1202 C C . PRO A 1 165 ? -16.480 13.962 -12.484 1.00 53.03 ? 180 PRO B C 1 ATOM 1203 O O . PRO A 1 165 ? -15.986 14.915 -13.073 1.00 53.90 ? 180 PRO B O 1 ATOM 1204 C CB . PRO A 1 165 ? -18.846 14.209 -11.632 1.00 56.99 ? 180 PRO B CB 1 ATOM 1205 C CG . PRO A 1 165 ? -19.976 13.242 -11.510 1.00 57.40 ? 180 PRO B CG 1 ATOM 1206 C CD . PRO A 1 165 ? -19.323 11.894 -11.668 1.00 55.43 ? 180 PRO B CD 1 ATOM 1207 N N . THR A 1 166 ? -15.784 13.197 -11.658 1.00 51.32 ? 181 THR B N 1 ATOM 1208 C CA . THR A 1 166 ? -14.381 13.455 -11.421 1.00 51.52 ? 181 THR B CA 1 ATOM 1209 C C . THR A 1 166 ? -13.540 12.225 -11.743 1.00 50.85 ? 181 THR B C 1 ATOM 1210 O O . THR A 1 166 ? -14.037 11.095 -11.678 1.00 48.18 ? 181 THR B O 1 ATOM 1211 C CB . THR A 1 166 ? -14.148 13.802 -9.954 1.00 51.26 ? 181 THR B CB 1 ATOM 1212 O OG1 . THR A 1 166 ? -14.417 12.644 -9.160 1.00 50.25 ? 181 THR B OG1 1 ATOM 1213 C CG2 . THR A 1 166 ? -15.077 14.964 -9.503 1.00 53.91 ? 181 THR B CG2 1 ATOM 1214 N N . PRO A 1 167 ? -12.247 12.437 -12.055 1.00 51.67 ? 182 PRO B N 1 ATOM 1215 C CA . PRO A 1 167 ? -11.312 11.322 -12.185 1.00 52.50 ? 182 PRO B CA 1 ATOM 1216 C C . PRO A 1 167 ? -11.409 10.324 -11.034 1.00 53.11 ? 182 PRO B C 1 ATOM 1217 O O . PRO A 1 167 ? -11.442 9.119 -11.287 1.00 50.45 ? 182 PRO B O 1 ATOM 1218 C CB . PRO A 1 167 ? -9.952 12.015 -12.205 1.00 54.83 ? 182 PRO B CB 1 ATOM 1219 C CG . PRO A 1 167 ? -10.223 13.335 -12.840 1.00 57.03 ? 182 PRO B CG 1 ATOM 1220 C CD . PRO A 1 167 ? -11.617 13.722 -12.414 1.00 54.84 ? 182 PRO B CD 1 ATOM 1221 N N . ALA A 1 168 ? -11.503 10.830 -9.797 1.00 53.45 ? 183 ALA B N 1 ATOM 1222 C CA . ALA A 1 168 ? -11.649 9.993 -8.600 1.00 54.79 ? 183 ALA B CA 1 ATOM 1223 C C . ALA A 1 168 ? -12.808 9.012 -8.699 1.00 51.18 ? 183 ALA B C 1 ATOM 1224 O O . ALA A 1 168 ? -12.661 7.846 -8.361 1.00 55.27 ? 183 ALA B O 1 ATOM 1225 C CB . ALA A 1 168 ? -11.785 10.851 -7.338 1.00 56.16 ? 183 ALA B CB 1 ATOM 1226 N N . ASP A 1 169 ? -13.942 9.464 -9.202 1.00 47.96 ? 184 ASP B N 1 ATOM 1227 C CA . ASP A 1 169 ? -15.098 8.569 -9.376 1.00 47.91 ? 184 ASP B CA 1 ATOM 1228 C C . ASP A 1 169 ? -14.780 7.417 -10.352 1.00 44.62 ? 184 ASP B C 1 ATOM 1229 O O . ASP A 1 169 ? -15.165 6.261 -10.141 1.00 42.83 ? 184 ASP B O 1 ATOM 1230 C CB . ASP A 1 169 ? -16.289 9.360 -9.912 1.00 48.89 ? 184 ASP B CB 1 ATOM 1231 C CG . ASP A 1 169 ? -16.705 10.491 -8.984 1.00 50.22 ? 184 ASP B CG 1 ATOM 1232 O OD1 . ASP A 1 169 ? -16.956 10.200 -7.813 1.00 48.25 ? 184 ASP B OD1 1 ATOM 1233 O OD2 . ASP A 1 169 ? -16.767 11.656 -9.424 1.00 51.46 ? 184 ASP B OD2 1 ATOM 1234 N N . LEU A 1 170 ? -14.093 7.768 -11.430 1.00 45.60 ? 185 LEU B N 1 ATOM 1235 C CA . LEU A 1 170 ? -13.725 6.804 -12.457 1.00 48.98 ? 185 LEU B CA 1 ATOM 1236 C C . LEU A 1 170 ? -12.822 5.710 -11.874 1.00 48.21 ? 185 LEU B C 1 ATOM 1237 O O . LEU A 1 170 ? -13.192 4.544 -11.893 1.00 41.28 ? 185 LEU B O 1 ATOM 1238 C CB . LEU A 1 170 ? -13.049 7.501 -13.645 1.00 51.09 ? 185 LEU B CB 1 ATOM 1239 C CG . LEU A 1 170 ? -12.612 6.637 -14.843 1.00 54.90 ? 185 LEU B CG 1 ATOM 1240 C CD1 . LEU A 1 170 ? -13.680 5.659 -15.251 1.00 56.78 ? 185 LEU B CD1 1 ATOM 1241 C CD2 . LEU A 1 170 ? -12.279 7.506 -16.027 1.00 56.19 ? 185 LEU B CD2 1 ATOM 1242 N N . CYS A 1 171 ? -11.673 6.101 -11.328 1.00 52.86 ? 186 CYS B N 1 ATOM 1243 C CA . CYS A 1 171 ? -10.740 5.155 -10.695 1.00 57.78 ? 186 CYS B CA 1 ATOM 1244 C C . CYS A 1 171 ? -11.368 4.208 -9.693 1.00 56.56 ? 186 CYS B C 1 ATOM 1245 O O . CYS A 1 171 ? -11.043 3.027 -9.663 1.00 57.39 ? 186 CYS B O 1 ATOM 1246 C CB . CYS A 1 171 ? -9.625 5.912 -9.970 1.00 65.06 ? 186 CYS B CB 1 ATOM 1247 S SG . CYS A 1 171 ? -8.314 6.338 -11.114 1.00 79.89 ? 186 CYS B SG 1 ATOM 1248 N N . GLU A 1 172 ? -12.254 4.737 -8.860 1.00 51.95 ? 187 GLU B N 1 ATOM 1249 C CA . GLU A 1 172 ? -12.706 4.001 -7.696 1.00 51.40 ? 187 GLU B CA 1 ATOM 1250 C C . GLU A 1 172 ? -13.851 3.091 -8.035 1.00 48.99 ? 187 GLU B C 1 ATOM 1251 O O . GLU A 1 172 ? -13.879 1.949 -7.586 1.00 47.47 ? 187 GLU B O 1 ATOM 1252 C CB . GLU A 1 172 ? -13.059 4.961 -6.553 1.00 52.53 ? 187 GLU B CB 1 ATOM 1253 C CG . GLU A 1 172 ? -11.824 5.717 -6.077 1.00 55.45 ? 187 GLU B CG 1 ATOM 1254 C CD . GLU A 1 172 ? -12.047 6.652 -4.897 1.00 59.72 ? 187 GLU B CD 1 ATOM 1255 O OE1 . GLU A 1 172 ? -13.210 6.835 -4.468 1.00 62.61 ? 187 GLU B OE1 1 ATOM 1256 O OE2 . GLU A 1 172 ? -11.035 7.210 -4.408 1.00 61.06 ? 187 GLU B OE2 1 ATOM 1257 N N . LYS A 1 173 ? -14.787 3.578 -8.839 1.00 47.76 ? 188 LYS B N 1 ATOM 1258 C CA . LYS A 1 173 ? -15.999 2.818 -9.092 1.00 48.23 ? 188 LYS B CA 1 ATOM 1259 C C . LYS A 1 173 ? -15.877 1.808 -10.225 1.00 47.40 ? 188 LYS B C 1 ATOM 1260 O O . LYS A 1 173 ? -16.608 0.826 -10.223 1.00 50.30 ? 188 LYS B O 1 ATOM 1261 C CB . LYS A 1 173 ? -17.190 3.752 -9.310 1.00 50.40 ? 188 LYS B CB 1 ATOM 1262 C CG . LYS A 1 173 ? -17.536 4.566 -8.066 1.00 51.24 ? 188 LYS B CG 1 ATOM 1263 C CD . LYS A 1 173 ? -18.415 5.766 -8.371 1.00 53.54 ? 188 LYS B CD 1 ATOM 1264 C CE . LYS A 1 173 ? -18.585 6.658 -7.140 1.00 56.01 ? 188 LYS B CE 1 ATOM 1265 N NZ . LYS A 1 173 ? -19.590 7.728 -7.363 1.00 58.32 ? 188 LYS B NZ 1 ATOM 1266 N N . THR A 1 174 ? -14.982 2.022 -11.189 1.00 45.26 ? 189 THR B N 1 ATOM 1267 C CA . THR A 1 174 ? -14.887 1.073 -12.308 1.00 45.05 ? 189 THR B CA 1 ATOM 1268 C C . THR A 1 174 ? -14.400 -0.306 -11.870 1.00 46.39 ? 189 THR B C 1 ATOM 1269 O O . THR A 1 174 ? -14.770 -1.297 -12.479 1.00 49.04 ? 189 THR B O 1 ATOM 1270 C CB . THR A 1 174 ? -14.029 1.586 -13.481 1.00 43.92 ? 189 THR B CB 1 ATOM 1271 O OG1 . THR A 1 174 ? -12.748 2.050 -13.018 1.00 46.02 ? 189 THR B OG1 1 ATOM 1272 C CG2 . THR A 1 174 ? -14.743 2.695 -14.191 1.00 43.04 ? 189 THR B CG2 1 ATOM 1273 N N . TRP A 1 175 ? -13.605 -0.366 -10.805 1.00 47.19 ? 190 TRP B N 1 ATOM 1274 C CA . TRP A 1 175 ? -13.002 -1.620 -10.339 1.00 48.53 ? 190 TRP B CA 1 ATOM 1275 C C . TRP A 1 175 ? -13.431 -2.006 -8.892 1.00 52.45 ? 190 TRP B C 1 ATOM 1276 O O . TRP A 1 175 ? -12.670 -2.626 -8.141 1.00 47.86 ? 190 TRP B O 1 ATOM 1277 C CB . TRP A 1 175 ? -11.473 -1.509 -10.482 1.00 49.05 ? 190 TRP B CB 1 ATOM 1278 C CG . TRP A 1 175 ? -10.919 -1.901 -11.835 1.00 49.66 ? 190 TRP B CG 1 ATOM 1279 C CD1 . TRP A 1 175 ? -10.901 -1.148 -12.970 1.00 49.25 ? 190 TRP B CD1 1 ATOM 1280 C CD2 . TRP A 1 175 ? -10.268 -3.132 -12.158 1.00 49.15 ? 190 TRP B CD2 1 ATOM 1281 N NE1 . TRP A 1 175 ? -10.297 -1.847 -13.993 1.00 50.34 ? 190 TRP B NE1 1 ATOM 1282 C CE2 . TRP A 1 175 ? -9.897 -3.068 -13.515 1.00 49.48 ? 190 TRP B CE2 1 ATOM 1283 C CE3 . TRP A 1 175 ? -9.971 -4.291 -11.431 1.00 52.94 ? 190 TRP B CE3 1 ATOM 1284 C CZ2 . TRP A 1 175 ? -9.247 -4.122 -14.164 1.00 48.73 ? 190 TRP B CZ2 1 ATOM 1285 C CZ3 . TRP A 1 175 ? -9.322 -5.336 -12.071 1.00 51.10 ? 190 TRP B CZ3 1 ATOM 1286 C CH2 . TRP A 1 175 ? -8.965 -5.242 -13.427 1.00 50.47 ? 190 TRP B CH2 1 ATOM 1287 N N . SER A 1 176 ? -14.662 -1.657 -8.514 1.00 50.31 ? 191 SER B N 1 ATOM 1288 C CA . SER A 1 176 ? -15.243 -2.114 -7.256 1.00 49.95 ? 191 SER B CA 1 ATOM 1289 C C . SER A 1 176 ? -14.355 -1.824 -6.035 1.00 48.00 ? 191 SER B C 1 ATOM 1290 O O . SER A 1 176 ? -14.159 -2.688 -5.179 1.00 48.75 ? 191 SER B O 1 ATOM 1291 C CB . SER A 1 176 ? -15.555 -3.611 -7.358 1.00 53.33 ? 191 SER B CB 1 ATOM 1292 O OG . SER A 1 176 ? -16.341 -4.048 -6.253 1.00 55.91 ? 191 SER B OG 1 ATOM 1293 N N . ASN A 1 177 ? -13.806 -0.611 -5.994 1.00 42.95 ? 192 ASN B N 1 ATOM 1294 C CA . ASN A 1 177 ? -12.955 -0.133 -4.911 1.00 45.05 ? 192 ASN B CA 1 ATOM 1295 C C . ASN A 1 177 ? -11.609 -0.834 -4.775 1.00 46.55 ? 192 ASN B C 1 ATOM 1296 O O . ASN A 1 177 ? -11.004 -0.816 -3.698 1.00 45.82 ? 192 ASN B O 1 ATOM 1297 C CB . ASN A 1 177 ? -13.695 -0.169 -3.580 1.00 46.56 ? 192 ASN B CB 1 ATOM 1298 C CG . ASN A 1 177 ? -15.041 0.516 -3.665 1.00 46.21 ? 192 ASN B CG 1 ATOM 1299 O OD1 . ASN A 1 177 ? -15.102 1.720 -3.871 1.00 41.99 ? 192 ASN B OD1 1 ATOM 1300 N ND2 . ASN A 1 177 ? -16.111 -0.249 -3.548 1.00 47.93 ? 192 ASN B ND2 1 ATOM 1301 N N . SER A 1 178 ? -11.134 -1.422 -5.870 1.00 44.61 ? 193 SER B N 1 ATOM 1302 C CA . SER A 1 178 ? -9.779 -1.940 -5.929 1.00 44.40 ? 193 SER B CA 1 ATOM 1303 C C . SER A 1 178 ? -8.801 -0.797 -5.839 1.00 44.02 ? 193 SER B C 1 ATOM 1304 O O . SER A 1 178 ? -7.772 -0.914 -5.185 1.00 46.42 ? 193 SER B O 1 ATOM 1305 C CB . SER A 1 178 ? -9.541 -2.718 -7.215 1.00 42.08 ? 193 SER B CB 1 ATOM 1306 O OG . SER A 1 178 ? -10.274 -3.921 -7.170 1.00 42.70 ? 193 SER B OG 1 ATOM 1307 N N . PHE A 1 179 ? -9.130 0.310 -6.491 1.00 45.21 ? 194 PHE B N 1 ATOM 1308 C CA . PHE A 1 179 ? -8.268 1.484 -6.487 1.00 47.77 ? 194 PHE B CA 1 ATOM 1309 C C . PHE A 1 179 ? -8.915 2.642 -5.743 1.00 48.66 ? 194 PHE B C 1 ATOM 1310 O O . PHE A 1 179 ? -10.130 2.699 -5.614 1.00 43.47 ? 194 PHE B O 1 ATOM 1311 C CB . PHE A 1 179 ? -7.921 1.911 -7.912 1.00 49.01 ? 194 PHE B CB 1 ATOM 1312 C CG . PHE A 1 179 ? -7.550 0.757 -8.820 1.00 49.57 ? 194 PHE B CG 1 ATOM 1313 C CD1 . PHE A 1 179 ? -6.583 -0.173 -8.433 1.00 48.21 ? 194 PHE B CD1 1 ATOM 1314 C CD2 . PHE A 1 179 ? -8.169 0.599 -10.061 1.00 50.27 ? 194 PHE B CD2 1 ATOM 1315 C CE1 . PHE A 1 179 ? -6.239 -1.230 -9.263 1.00 50.61 ? 194 PHE B CE1 1 ATOM 1316 C CE2 . PHE A 1 179 ? -7.822 -0.457 -10.898 1.00 48.74 ? 194 PHE B CE2 1 ATOM 1317 C CZ . PHE A 1 179 ? -6.860 -1.374 -10.499 1.00 49.45 ? 194 PHE B CZ 1 ATOM 1318 N N . LYS A 1 180 ? -8.056 3.551 -5.286 1.00 52.36 ? 195 LYS B N 1 ATOM 1319 C CA . LYS A 1 180 ? -8.411 4.758 -4.548 1.00 57.34 ? 195 LYS B CA 1 ATOM 1320 C C . LYS A 1 180 ? -7.670 5.837 -5.261 1.00 55.32 ? 195 LYS B C 1 ATOM 1321 O O . LYS A 1 180 ? -6.473 5.691 -5.455 1.00 55.74 ? 195 LYS B O 1 ATOM 1322 C CB . LYS A 1 180 ? -7.821 4.698 -3.138 1.00 60.86 ? 195 LYS B CB 1 ATOM 1323 C CG . LYS A 1 180 ? -8.830 4.823 -2.026 1.00 67.81 ? 195 LYS B CG 1 ATOM 1324 C CD . LYS A 1 180 ? -9.399 6.214 -1.859 1.00 70.16 ? 195 LYS B CD 1 ATOM 1325 C CE . LYS A 1 180 ? -10.800 6.108 -1.266 1.00 72.80 ? 195 LYS B CE 1 ATOM 1326 N NZ . LYS A 1 180 ? -11.364 7.415 -0.833 1.00 75.33 ? 195 LYS B NZ 1 ATOM 1327 N N . ALA A 1 181 ? -8.330 6.913 -5.656 1.00 58.02 ? 196 ALA B N 1 ATOM 1328 C CA . ALA A 1 181 ? -7.612 8.036 -6.258 1.00 59.75 ? 196 ALA B CA 1 ATOM 1329 C C . ALA A 1 181 ? -6.875 8.762 -5.157 1.00 61.70 ? 196 ALA B C 1 ATOM 1330 O O . ALA A 1 181 ? -7.467 9.095 -4.134 1.00 63.36 ? 196 ALA B O 1 ATOM 1331 C CB . ALA A 1 181 ? -8.557 8.982 -6.970 1.00 60.01 ? 196 ALA B CB 1 ATOM 1332 N N . SER A 1 182 ? -5.581 8.976 -5.363 1.00 65.00 ? 197 SER B N 1 ATOM 1333 C CA . SER A 1 182 ? -4.738 9.578 -4.355 1.00 66.17 ? 197 SER B CA 1 ATOM 1334 C C . SER A 1 182 ? -4.602 11.055 -4.645 1.00 69.57 ? 197 SER B C 1 ATOM 1335 O O . SER A 1 182 ? -4.416 11.447 -5.815 1.00 64.51 ? 197 SER B O 1 ATOM 1336 C CB . SER A 1 182 ? -3.352 8.947 -4.361 1.00 67.69 ? 197 SER B CB 1 ATOM 1337 O OG . SER A 1 182 ? -2.472 9.670 -3.521 1.00 69.00 ? 197 SER B OG 1 ATOM 1338 N N . PRO A 1 183 ? -4.662 11.884 -3.586 1.00 68.60 ? 198 PRO B N 1 ATOM 1339 C CA . PRO A 1 183 ? -4.298 13.268 -3.811 1.00 70.79 ? 198 PRO B CA 1 ATOM 1340 C C . PRO A 1 183 ? -2.820 13.423 -4.153 1.00 69.87 ? 198 PRO B C 1 ATOM 1341 O O . PRO A 1 183 ? -2.456 14.437 -4.719 1.00 75.43 ? 198 PRO B O 1 ATOM 1342 C CB . PRO A 1 183 ? -4.621 13.943 -2.474 1.00 72.66 ? 198 PRO B CB 1 ATOM 1343 C CG . PRO A 1 183 ? -4.491 12.860 -1.468 1.00 72.38 ? 198 PRO B CG 1 ATOM 1344 C CD . PRO A 1 183 ? -4.969 11.622 -2.165 1.00 72.14 ? 198 PRO B CD 1 ATOM 1345 N N . GLU A 1 184 ? -1.980 12.439 -3.825 1.00 71.22 ? 199 GLU B N 1 ATOM 1346 C CA . GLU A 1 184 ? -0.553 12.519 -4.151 1.00 74.29 ? 199 GLU B CA 1 ATOM 1347 C C . GLU A 1 184 ? -0.310 12.377 -5.651 1.00 70.53 ? 199 GLU B C 1 ATOM 1348 O O . GLU A 1 184 ? -1.038 11.668 -6.339 1.00 68.93 ? 199 GLU B O 1 ATOM 1349 C CB . GLU A 1 184 ? 0.256 11.471 -3.378 1.00 78.41 ? 199 GLU B CB 1 ATOM 1350 C CG . GLU A 1 184 ? 0.243 11.670 -1.864 1.00 82.23 ? 199 GLU B CG 1 ATOM 1351 C CD . GLU A 1 184 ? 1.282 12.665 -1.350 1.00 82.53 ? 199 GLU B CD 1 ATOM 1352 O OE1 . GLU A 1 184 ? 1.614 12.580 -0.155 1.00 85.37 ? 199 GLU B OE1 1 ATOM 1353 O OE2 . GLU A 1 184 ? 1.774 13.523 -2.113 1.00 83.60 ? 199 GLU B OE2 1 ATOM 1354 N N . ARG A 1 185 ? 0.708 13.077 -6.140 1.00 70.48 ? 200 ARG B N 1 ATOM 1355 C CA . ARG A 1 185 ? 1.059 13.084 -7.551 1.00 70.89 ? 200 ARG B CA 1 ATOM 1356 C C . ARG A 1 185 ? 2.113 12.009 -7.836 1.00 74.36 ? 200 ARG B C 1 ATOM 1357 O O . ARG A 1 185 ? 2.413 11.179 -6.973 1.00 73.11 ? 200 ARG B O 1 ATOM 1358 C CB . ARG A 1 185 ? 1.552 14.477 -7.964 1.00 74.93 ? 200 ARG B CB 1 ATOM 1359 C CG . ARG A 1 185 ? 0.529 15.596 -7.769 1.00 78.32 ? 200 ARG B CG 1 ATOM 1360 C CD . ARG A 1 185 ? 0.548 16.617 -8.911 1.00 79.68 ? 200 ARG B CD 1 ATOM 1361 N NE . ARG A 1 185 ? -0.477 16.338 -9.933 1.00 79.30 ? 200 ARG B NE 1 ATOM 1362 C CZ . ARG A 1 185 ? -0.389 16.624 -11.236 1.00 79.09 ? 200 ARG B CZ 1 ATOM 1363 N NH1 . ARG A 1 185 ? 0.693 17.197 -11.759 1.00 82.01 ? 200 ARG B NH1 1 ATOM 1364 N NH2 . ARG A 1 185 ? -1.406 16.320 -12.038 1.00 81.18 ? 200 ARG B NH2 1 ATOM 1365 N N . ARG A 1 186 ? 2.669 12.040 -9.048 1.00 72.37 ? 201 ARG B N 1 ATOM 1366 C CA . ARG A 1 186 ? 3.561 11.005 -9.540 1.00 70.02 ? 201 ARG B CA 1 ATOM 1367 C C . ARG A 1 186 ? 4.974 11.257 -9.067 1.00 73.00 ? 201 ARG B C 1 ATOM 1368 O O . ARG A 1 186 ? 5.417 12.399 -9.004 1.00 76.29 ? 201 ARG B O 1 ATOM 1369 C CB . ARG A 1 186 ? 3.558 10.965 -11.069 1.00 69.42 ? 201 ARG B CB 1 ATOM 1370 C CG . ARG A 1 186 ? 3.141 9.625 -11.616 1.00 67.30 ? 201 ARG B CG 1 ATOM 1371 C CD . ARG A 1 186 ? 2.962 9.649 -13.125 1.00 66.16 ? 201 ARG B CD 1 ATOM 1372 N NE . ARG A 1 186 ? 2.008 8.628 -13.559 1.00 64.14 ? 201 ARG B NE 1 ATOM 1373 C CZ . ARG A 1 186 ? 1.865 8.188 -14.808 1.00 64.80 ? 201 ARG B CZ 1 ATOM 1374 N NH1 . ARG A 1 186 ? 0.960 7.253 -15.076 1.00 62.31 ? 201 ARG B NH1 1 ATOM 1375 N NH2 . ARG A 1 186 ? 2.614 8.664 -15.802 1.00 62.27 ? 201 ARG B NH2 1 ATOM 1376 N N . ASN A 1 187 ? 5.682 10.176 -8.759 1.00 72.96 ? 202 ASN B N 1 ATOM 1377 C CA . ASN A 1 187 ? 7.051 10.236 -8.228 1.00 74.13 ? 202 ASN B CA 1 ATOM 1378 C C . ASN A 1 187 ? 7.127 10.808 -6.808 1.00 72.72 ? 202 ASN B C 1 ATOM 1379 O O . ASN A 1 187 ? 8.208 11.115 -6.322 1.00 72.27 ? 202 ASN B O 1 ATOM 1380 C CB . ASN A 1 187 ? 8.003 11.019 -9.154 1.00 75.77 ? 202 ASN B CB 1 ATOM 1381 C CG . ASN A 1 187 ? 8.019 10.489 -10.576 1.00 75.30 ? 202 ASN B CG 1 ATOM 1382 O OD1 . ASN A 1 187 ? 8.053 9.280 -10.794 1.00 78.70 ? 202 ASN B OD1 1 ATOM 1383 N ND2 . ASN A 1 187 ? 8.032 11.393 -11.554 1.00 75.10 ? 202 ASN B ND2 1 ATOM 1384 N N . SER A 1 188 ? 5.987 10.903 -6.132 1.00 68.39 ? 203 SER B N 1 ATOM 1385 C CA . SER A 1 188 ? 5.945 11.359 -4.762 1.00 70.88 ? 203 SER B CA 1 ATOM 1386 C C . SER A 1 188 ? 6.371 10.251 -3.791 1.00 69.70 ? 203 SER B C 1 ATOM 1387 O O . SER A 1 188 ? 6.522 10.510 -2.600 1.00 74.27 ? 203 SER B O 1 ATOM 1388 C CB . SER A 1 188 ? 4.530 11.816 -4.413 1.00 68.98 ? 203 SER B CB 1 ATOM 1389 O OG . SER A 1 188 ? 3.678 10.704 -4.204 1.00 66.82 ? 203 SER B OG 1 ATOM 1390 N N . GLY A 1 189 ? 6.510 9.017 -4.282 1.00 62.53 ? 204 GLY B N 1 ATOM 1391 C CA . GLY A 1 189 ? 6.819 7.880 -3.438 1.00 61.84 ? 204 GLY B CA 1 ATOM 1392 C C . GLY A 1 189 ? 5.638 7.410 -2.603 1.00 63.01 ? 204 GLY B C 1 ATOM 1393 O O . GLY A 1 189 ? 5.759 6.422 -1.879 1.00 61.86 ? 204 GLY B O 1 ATOM 1394 N N . ARG A 1 190 ? 4.488 8.077 -2.722 1.00 63.95 ? 205 ARG B N 1 ATOM 1395 C CA . ARG A 1 190 ? 3.327 7.787 -1.875 1.00 67.66 ? 205 ARG B CA 1 ATOM 1396 C C . ARG A 1 190 ? 2.105 7.242 -2.631 1.00 63.62 ? 205 ARG B C 1 ATOM 1397 O O . ARG A 1 190 ? 1.045 7.070 -2.037 1.00 62.04 ? 205 ARG B O 1 ATOM 1398 C CB . ARG A 1 190 ? 2.920 9.055 -1.131 1.00 72.19 ? 205 ARG B CB 1 ATOM 1399 C CG . ARG A 1 190 ? 4.027 9.704 -0.310 1.00 78.14 ? 205 ARG B CG 1 ATOM 1400 C CD . ARG A 1 190 ? 3.903 9.387 1.169 1.00 81.68 ? 205 ARG B CD 1 ATOM 1401 N NE . ARG A 1 190 ? 4.715 10.297 1.982 1.00 84.91 ? 205 ARG B NE 1 ATOM 1402 C CZ . ARG A 1 190 ? 5.862 9.995 2.597 1.00 87.93 ? 205 ARG B CZ 1 ATOM 1403 N NH1 . ARG A 1 190 ? 6.494 10.930 3.300 1.00 92.14 ? 205 ARG B NH1 1 ATOM 1404 N NH2 . ARG A 1 190 ? 6.392 8.778 2.529 1.00 90.80 ? 205 ARG B NH2 1 ATOM 1405 N N . CYS A 1 191 ? 2.239 6.958 -3.920 1.00 63.85 ? 206 CYS B N 1 ATOM 1406 C CA . CYS A 1 191 ? 1.128 6.420 -4.698 1.00 60.53 ? 206 CYS B CA 1 ATOM 1407 C C . CYS A 1 191 ? 1.661 5.550 -5.812 1.00 59.07 ? 206 CYS B C 1 ATOM 1408 O O . CYS A 1 191 ? 2.814 5.680 -6.198 1.00 60.17 ? 206 CYS B O 1 ATOM 1409 C CB . CYS A 1 191 ? 0.315 7.563 -5.294 1.00 60.41 ? 206 CYS B CB 1 ATOM 1410 S SG . CYS A 1 191 ? 1.307 8.701 -6.282 1.00 61.56 ? 206 CYS B SG 1 ATOM 1411 N N . LEU A 1 192 ? 0.798 4.703 -6.359 1.00 57.83 ? 207 LEU B N 1 ATOM 1412 C CA . LEU A 1 192 ? 1.188 3.786 -7.421 1.00 55.84 ? 207 LEU B CA 1 ATOM 1413 C C . LEU A 1 192 ? 0.667 4.199 -8.779 1.00 55.26 ? 207 LEU B C 1 ATOM 1414 O O . LEU A 1 192 ? -0.440 4.721 -8.912 1.00 51.32 ? 207 LEU B O 1 ATOM 1415 C CB . LEU A 1 192 ? 0.669 2.394 -7.141 1.00 54.56 ? 207 LEU B CB 1 ATOM 1416 C CG . LEU A 1 192 ? 1.348 1.683 -5.980 1.00 57.85 ? 207 LEU B CG 1 ATOM 1417 C CD1 . LEU A 1 192 ? 0.581 1.891 -4.681 1.00 59.56 ? 207 LEU B CD1 1 ATOM 1418 C CD2 . LEU A 1 192 ? 1.469 0.202 -6.289 1.00 57.79 ? 207 LEU B CD2 1 ATOM 1419 N N . GLN A 1 193 ? 1.470 3.904 -9.788 1.00 53.76 ? 208 GLN B N 1 ATOM 1420 C CA . GLN A 1 193 ? 1.083 4.086 -11.161 1.00 54.48 ? 208 GLN B CA 1 ATOM 1421 C C . GLN A 1 193 ? 0.513 2.789 -11.707 1.00 51.97 ? 208 GLN B C 1 ATOM 1422 O O . GLN A 1 193 ? 1.110 1.730 -11.516 1.00 50.62 ? 208 GLN B O 1 ATOM 1423 C CB . GLN A 1 193 ? 2.291 4.450 -11.979 1.00 54.10 ? 208 GLN B CB 1 ATOM 1424 C CG . GLN A 1 193 ? 2.894 5.785 -11.627 1.00 58.44 ? 208 GLN B CG 1 ATOM 1425 C CD . GLN A 1 193 ? 4.052 6.176 -12.527 1.00 58.98 ? 208 GLN B CD 1 ATOM 1426 O OE1 . GLN A 1 193 ? 4.907 6.950 -12.119 1.00 63.68 ? 208 GLN B OE1 1 ATOM 1427 N NE2 . GLN A 1 193 ? 4.090 5.654 -13.755 1.00 59.64 ? 208 GLN B NE2 1 ATOM 1428 N N . LYS A 1 194 ? -0.615 2.868 -12.412 1.00 49.34 ? 209 LYS B N 1 ATOM 1429 C CA . LYS A 1 194 ? -1.197 1.672 -13.056 1.00 46.54 ? 209 LYS B CA 1 ATOM 1430 C C . LYS A 1 194 ? -0.457 1.260 -14.325 1.00 46.33 ? 209 LYS B C 1 ATOM 1431 O O . LYS A 1 194 ? -0.678 0.166 -14.824 1.00 45.31 ? 209 LYS B O 1 ATOM 1432 C CB . LYS A 1 194 ? -2.696 1.831 -13.357 1.00 46.13 ? 209 LYS B CB 1 ATOM 1433 C CG . LYS A 1 194 ? -3.006 2.826 -14.453 1.00 46.90 ? 209 LYS B CG 1 ATOM 1434 C CD . LYS A 1 194 ? -4.346 2.576 -15.123 1.00 47.02 ? 209 LYS B CD 1 ATOM 1435 C CE . LYS A 1 194 ? -4.703 3.730 -16.042 1.00 45.87 ? 209 LYS B CE 1 ATOM 1436 N NZ . LYS A 1 194 ? -3.692 3.842 -17.134 1.00 45.95 ? 209 LYS B NZ 1 ATOM 1437 N N . TRP A 1 195 ? 0.360 2.155 -14.872 1.00 46.18 ? 210 TRP B N 1 ATOM 1438 C CA . TRP A 1 195 ? 1.226 1.853 -15.996 1.00 45.96 ? 210 TRP B CA 1 ATOM 1439 C C . TRP A 1 195 ? 2.448 2.767 -15.935 1.00 47.90 ? 210 TRP B C 1 ATOM 1440 O O . TRP A 1 195 ? 2.382 3.863 -15.398 1.00 49.86 ? 210 TRP B O 1 ATOM 1441 C CB . TRP A 1 195 ? 0.472 2.060 -17.308 1.00 46.45 ? 210 TRP B CB 1 ATOM 1442 C CG . TRP A 1 195 ? 1.132 1.438 -18.516 1.00 45.34 ? 210 TRP B CG 1 ATOM 1443 C CD1 . TRP A 1 195 ? 0.956 0.159 -18.989 1.00 44.64 ? 210 TRP B CD1 1 ATOM 1444 C CD2 . TRP A 1 195 ? 2.038 2.075 -19.416 1.00 43.26 ? 210 TRP B CD2 1 ATOM 1445 N NE1 . TRP A 1 195 ? 1.712 -0.034 -20.118 1.00 43.05 ? 210 TRP B NE1 1 ATOM 1446 C CE2 . TRP A 1 195 ? 2.382 1.126 -20.405 1.00 44.45 ? 210 TRP B CE2 1 ATOM 1447 C CE3 . TRP A 1 195 ? 2.600 3.354 -19.480 1.00 44.43 ? 210 TRP B CE3 1 ATOM 1448 C CZ2 . TRP A 1 195 ? 3.271 1.416 -21.435 1.00 43.37 ? 210 TRP B CZ2 1 ATOM 1449 C CZ3 . TRP A 1 195 ? 3.473 3.642 -20.499 1.00 43.97 ? 210 TRP B CZ3 1 ATOM 1450 C CH2 . TRP A 1 195 ? 3.801 2.677 -21.469 1.00 46.57 ? 210 TRP B CH2 1 ATOM 1451 N N . PHE A 1 196 ? 3.551 2.290 -16.492 1.00 48.12 ? 211 PHE B N 1 ATOM 1452 C CA . PHE A 1 196 ? 4.798 3.035 -16.569 1.00 52.00 ? 211 PHE B CA 1 ATOM 1453 C C . PHE A 1 196 ? 5.597 2.559 -17.754 1.00 56.89 ? 211 PHE B C 1 ATOM 1454 O O . PHE A 1 196 ? 5.418 1.434 -18.223 1.00 53.10 ? 211 PHE B O 1 ATOM 1455 C CB . PHE A 1 196 ? 5.637 2.830 -15.312 1.00 51.67 ? 211 PHE B CB 1 ATOM 1456 C CG . PHE A 1 196 ? 5.851 1.388 -14.957 1.00 49.17 ? 211 PHE B CG 1 ATOM 1457 C CD1 . PHE A 1 196 ? 4.909 0.709 -14.191 1.00 50.15 ? 211 PHE B CD1 1 ATOM 1458 C CD2 . PHE A 1 196 ? 6.978 0.706 -15.385 1.00 50.79 ? 211 PHE B CD2 1 ATOM 1459 C CE1 . PHE A 1 196 ? 5.084 -0.619 -13.853 1.00 47.81 ? 211 PHE B CE1 1 ATOM 1460 C CE2 . PHE A 1 196 ? 7.164 -0.628 -15.051 1.00 51.02 ? 211 PHE B CE2 1 ATOM 1461 C CZ . PHE A 1 196 ? 6.219 -1.288 -14.276 1.00 50.22 ? 211 PHE B CZ 1 ATOM 1462 N N . GLU A 1 197 ? 6.517 3.411 -18.185 1.00 60.83 ? 212 GLU B N 1 ATOM 1463 C CA . GLU A 1 197 ? 7.267 3.185 -19.400 1.00 66.71 ? 212 GLU B CA 1 ATOM 1464 C C . GLU A 1 197 ? 8.320 2.099 -19.104 1.00 70.12 ? 212 GLU B C 1 ATOM 1465 O O . GLU A 1 197 ? 9.052 2.214 -18.113 1.00 68.48 ? 212 GLU B O 1 ATOM 1466 C CB . GLU A 1 197 ? 7.909 4.496 -19.872 1.00 68.39 ? 212 GLU B CB 1 ATOM 1467 C CG . GLU A 1 197 ? 8.125 4.607 -21.369 1.00 70.83 ? 212 GLU B CG 1 ATOM 1468 C CD . GLU A 1 197 ? 6.846 4.880 -22.133 1.00 71.04 ? 212 GLU B CD 1 ATOM 1469 O OE1 . GLU A 1 197 ? 6.120 5.832 -21.781 1.00 76.72 ? 212 GLU B OE1 1 ATOM 1470 O OE2 . GLU A 1 197 ? 6.575 4.148 -23.099 1.00 65.93 ? 212 GLU B OE2 1 ATOM 1471 N N . PRO A 1 198 ? 8.383 1.032 -19.939 1.00 71.92 ? 213 PRO B N 1 ATOM 1472 C CA . PRO A 1 198 ? 9.273 -0.111 -19.625 1.00 75.30 ? 213 PRO B CA 1 ATOM 1473 C C . PRO A 1 198 ? 10.750 0.264 -19.467 1.00 80.30 ? 213 PRO B C 1 ATOM 1474 O O . PRO A 1 198 ? 11.419 -0.243 -18.571 1.00 82.79 ? 213 PRO B O 1 ATOM 1475 C CB . PRO A 1 198 ? 9.085 -1.074 -20.810 1.00 72.45 ? 213 PRO B CB 1 ATOM 1476 C CG . PRO A 1 198 ? 7.957 -0.549 -21.610 1.00 71.17 ? 213 PRO B CG 1 ATOM 1477 C CD . PRO A 1 198 ? 7.729 0.883 -21.252 1.00 71.54 ? 213 PRO B CD 1 ATOM 1478 N N . ALA A 1 199 ? 11.233 1.168 -20.315 1.00 82.12 ? 214 ALA B N 1 ATOM 1479 C CA . ALA A 1 199 ? 12.591 1.707 -20.191 1.00 80.55 ? 214 ALA B CA 1 ATOM 1480 C C . ALA A 1 199 ? 12.937 2.171 -18.771 1.00 81.04 ? 214 ALA B C 1 ATOM 1481 O O . ALA A 1 199 ? 14.051 1.927 -18.315 1.00 83.38 ? 214 ALA B O 1 ATOM 1482 C CB . ALA A 1 199 ? 12.798 2.850 -21.178 1.00 77.98 ? 214 ALA B CB 1 ATOM 1483 N N . GLN A 1 200 ? 11.979 2.788 -18.070 1.00 85.70 ? 215 GLN B N 1 ATOM 1484 C CA . GLN A 1 200 ? 12.264 3.503 -16.808 1.00 86.95 ? 215 GLN B CA 1 ATOM 1485 C C . GLN A 1 200 ? 12.363 2.654 -15.551 1.00 86.73 ? 215 GLN B C 1 ATOM 1486 O O . GLN A 1 200 ? 12.879 3.123 -14.538 1.00 94.47 ? 215 GLN B O 1 ATOM 1487 C CB . GLN A 1 200 ? 11.219 4.603 -16.509 1.00 87.55 ? 215 GLN B CB 1 ATOM 1488 C CG . GLN A 1 200 ? 10.747 5.482 -17.659 1.00 88.18 ? 215 GLN B CG 1 ATOM 1489 C CD . GLN A 1 200 ? 11.817 5.860 -18.669 1.00 89.33 ? 215 GLN B CD 1 ATOM 1490 O OE1 . GLN A 1 200 ? 11.550 5.915 -19.871 1.00 91.88 ? 215 GLN B OE1 1 ATOM 1491 N NE2 . GLN A 1 200 ? 13.027 6.125 -18.194 1.00 91.46 ? 215 GLN B NE2 1 ATOM 1492 N N . GLY A 1 201 ? 11.833 1.441 -15.572 1.00 80.19 ? 216 GLY B N 1 ATOM 1493 C CA . GLY A 1 201 ? 11.796 0.658 -14.344 1.00 77.26 ? 216 GLY B CA 1 ATOM 1494 C C . GLY A 1 201 ? 10.641 1.057 -13.441 1.00 71.37 ? 216 GLY B C 1 ATOM 1495 O O . GLY A 1 201 ? 10.071 2.153 -13.524 1.00 68.38 ? 216 GLY B O 1 ATOM 1496 N N . ASN A 1 202 ? 10.315 0.141 -12.550 1.00 63.88 ? 217 ASN B N 1 ATOM 1497 C CA . ASN A 1 202 ? 9.025 0.128 -11.925 1.00 61.47 ? 217 ASN B CA 1 ATOM 1498 C C . ASN A 1 202 ? 9.029 1.070 -10.725 1.00 60.85 ? 217 ASN B C 1 ATOM 1499 O O . ASN A 1 202 ? 9.706 0.791 -9.747 1.00 57.20 ? 217 ASN B O 1 ATOM 1500 C CB . ASN A 1 202 ? 8.692 -1.310 -11.526 1.00 59.48 ? 217 ASN B CB 1 ATOM 1501 C CG . ASN A 1 202 ? 7.297 -1.458 -10.976 1.00 59.00 ? 217 ASN B CG 1 ATOM 1502 O OD1 . ASN A 1 202 ? 6.762 -0.536 -10.376 1.00 59.34 ? 217 ASN B OD1 1 ATOM 1503 N ND2 . ASN A 1 202 ? 6.707 -2.635 -11.154 1.00 55.79 ? 217 ASN B ND2 1 ATOM 1504 N N . PRO A 1 203 ? 8.251 2.173 -10.788 1.00 58.79 ? 218 PRO B N 1 ATOM 1505 C CA . PRO A 1 203 ? 8.230 3.135 -9.687 1.00 59.42 ? 218 PRO B CA 1 ATOM 1506 C C . PRO A 1 203 ? 7.441 2.671 -8.469 1.00 56.43 ? 218 PRO B C 1 ATOM 1507 O O . PRO A 1 203 ? 7.487 3.331 -7.440 1.00 58.92 ? 218 PRO B O 1 ATOM 1508 C CB . PRO A 1 203 ? 7.540 4.346 -10.310 1.00 58.59 ? 218 PRO B CB 1 ATOM 1509 C CG . PRO A 1 203 ? 6.555 3.740 -11.242 1.00 58.59 ? 218 PRO B CG 1 ATOM 1510 C CD . PRO A 1 203 ? 7.220 2.499 -11.790 1.00 57.13 ? 218 PRO B CD 1 ATOM 1511 N N . ASN A 1 204 ? 6.724 1.556 -8.585 1.00 52.72 ? 219 ASN B N 1 ATOM 1512 C CA . ASN A 1 204 ? 5.876 1.067 -7.510 1.00 53.06 ? 219 ASN B CA 1 ATOM 1513 C C . ASN A 1 204 ? 6.583 0.189 -6.472 1.00 52.26 ? 219 ASN B C 1 ATOM 1514 O O . ASN A 1 204 ? 6.030 -0.010 -5.398 1.00 53.35 ? 219 ASN B O 1 ATOM 1515 C CB . ASN A 1 204 ? 4.689 0.286 -8.083 1.00 50.40 ? 219 ASN B CB 1 ATOM 1516 C CG . ASN A 1 204 ? 3.821 1.114 -9.029 1.00 51.21 ? 219 ASN B CG 1 ATOM 1517 O OD1 . ASN A 1 204 ? 3.815 2.340 -8.994 1.00 50.13 ? 219 ASN B OD1 1 ATOM 1518 N ND2 . ASN A 1 204 ? 3.064 0.432 -9.870 1.00 52.13 ? 219 ASN B ND2 1 ATOM 1519 N N . VAL A 1 205 ? 7.768 -0.351 -6.785 1.00 52.66 ? 220 VAL B N 1 ATOM 1520 C CA . VAL A 1 205 ? 8.496 -1.199 -5.824 1.00 52.43 ? 220 VAL B CA 1 ATOM 1521 C C . VAL A 1 205 ? 8.764 -0.416 -4.533 1.00 54.26 ? 220 VAL B C 1 ATOM 1522 O O . VAL A 1 205 ? 8.459 -0.906 -3.446 1.00 55.45 ? 220 VAL B O 1 ATOM 1523 C CB . VAL A 1 205 ? 9.818 -1.775 -6.391 1.00 52.56 ? 220 VAL B CB 1 ATOM 1524 C CG1 . VAL A 1 205 ? 10.586 -2.548 -5.320 1.00 51.93 ? 220 VAL B CG1 1 ATOM 1525 C CG2 . VAL A 1 205 ? 9.541 -2.703 -7.572 1.00 51.21 ? 220 VAL B CG2 1 ATOM 1526 N N . ALA A 1 206 ? 9.307 0.795 -4.668 1.00 55.27 ? 221 ALA B N 1 ATOM 1527 C CA . ALA A 1 206 ? 9.655 1.633 -3.512 1.00 57.65 ? 221 ALA B CA 1 ATOM 1528 C C . ALA A 1 206 ? 8.423 2.018 -2.709 1.00 58.32 ? 221 ALA B C 1 ATOM 1529 O O . ALA A 1 206 ? 8.492 2.122 -1.485 1.00 55.01 ? 221 ALA B O 1 ATOM 1530 C CB . ALA A 1 206 ? 10.400 2.885 -3.949 1.00 57.59 ? 221 ALA B CB 1 ATOM 1531 N N . VAL A 1 207 ? 7.297 2.200 -3.393 1.00 53.82 ? 222 VAL B N 1 ATOM 1532 C CA . VAL A 1 207 ? 6.055 2.605 -2.735 1.00 53.97 ? 222 VAL B CA 1 ATOM 1533 C C . VAL A 1 207 ? 5.513 1.474 -1.862 1.00 54.61 ? 222 VAL B C 1 ATOM 1534 O O . VAL A 1 207 ? 5.182 1.699 -0.701 1.00 54.16 ? 222 VAL B O 1 ATOM 1535 C CB . VAL A 1 207 ? 4.984 3.053 -3.756 1.00 53.34 ? 222 VAL B CB 1 ATOM 1536 C CG1 . VAL A 1 207 ? 3.682 3.428 -3.055 1.00 54.75 ? 222 VAL B CG1 1 ATOM 1537 C CG2 . VAL A 1 207 ? 5.498 4.226 -4.575 1.00 53.09 ? 222 VAL B CG2 1 ATOM 1538 N N . ALA A 1 208 ? 5.418 0.265 -2.410 1.00 51.83 ? 223 ALA B N 1 ATOM 1539 C CA . ALA A 1 208 ? 5.014 -0.890 -1.608 1.00 52.87 ? 223 ALA B CA 1 ATOM 1540 C C . ALA A 1 208 ? 5.960 -1.053 -0.407 1.00 54.42 ? 223 ALA B C 1 ATOM 1541 O O . ALA A 1 208 ? 5.521 -1.329 0.710 1.00 52.57 ? 223 ALA B O 1 ATOM 1542 C CB . ALA A 1 208 ? 4.999 -2.159 -2.445 1.00 52.22 ? 223 ALA B CB 1 ATOM 1543 N N . ARG A 1 209 ? 7.254 -0.866 -0.640 1.00 54.08 ? 224 ARG B N 1 ATOM 1544 C CA . ARG A 1 209 ? 8.227 -0.991 0.442 1.00 56.21 ? 224 ARG B CA 1 ATOM 1545 C C . ARG A 1 209 ? 7.912 -0.034 1.573 1.00 56.11 ? 224 ARG B C 1 ATOM 1546 O O . ARG A 1 209 ? 7.922 -0.424 2.727 1.00 54.41 ? 224 ARG B O 1 ATOM 1547 C CB . ARG A 1 209 ? 9.648 -0.789 -0.068 1.00 59.34 ? 224 ARG B CB 1 ATOM 1548 C CG . ARG A 1 209 ? 10.239 -2.067 -0.634 1.00 60.32 ? 224 ARG B CG 1 ATOM 1549 C CD . ARG A 1 209 ? 11.475 -1.799 -1.467 1.00 60.47 ? 224 ARG B CD 1 ATOM 1550 N NE . ARG A 1 209 ? 12.148 -3.043 -1.829 1.00 63.47 ? 224 ARG B NE 1 ATOM 1551 C CZ . ARG A 1 209 ? 13.233 -3.131 -2.602 1.00 64.92 ? 224 ARG B CZ 1 ATOM 1552 N NH1 . ARG A 1 209 ? 13.762 -4.323 -2.854 1.00 61.83 ? 224 ARG B NH1 1 ATOM 1553 N NH2 . ARG A 1 209 ? 13.794 -2.041 -3.128 1.00 68.27 ? 224 ARG B NH2 1 ATOM 1554 N N . LEU A 1 210 ? 7.579 1.197 1.215 1.00 57.60 ? 225 LEU B N 1 ATOM 1555 C CA . LEU A 1 210 ? 7.226 2.229 2.172 1.00 60.56 ? 225 LEU B CA 1 ATOM 1556 C C . LEU A 1 210 ? 6.032 1.864 3.063 1.00 61.99 ? 225 LEU B C 1 ATOM 1557 O O . LEU A 1 210 ? 6.131 1.956 4.284 1.00 56.46 ? 225 LEU B O 1 ATOM 1558 C CB . LEU A 1 210 ? 6.949 3.530 1.424 1.00 62.49 ? 225 LEU B CB 1 ATOM 1559 C CG . LEU A 1 210 ? 6.898 4.869 2.171 1.00 68.27 ? 225 LEU B CG 1 ATOM 1560 C CD1 . LEU A 1 210 ? 7.755 4.934 3.431 1.00 68.82 ? 225 LEU B CD1 1 ATOM 1561 C CD2 . LEU A 1 210 ? 7.311 5.972 1.196 1.00 69.61 ? 225 LEU B CD2 1 ATOM 1562 N N . PHE A 1 211 ? 4.919 1.441 2.461 1.00 59.42 ? 226 PHE B N 1 ATOM 1563 C CA . PHE A 1 211 ? 3.736 1.043 3.244 1.00 59.88 ? 226 PHE B CA 1 ATOM 1564 C C . PHE A 1 211 ? 4.045 -0.171 4.096 1.00 65.62 ? 226 PHE B C 1 ATOM 1565 O O . PHE A 1 211 ? 3.590 -0.277 5.240 1.00 66.34 ? 226 PHE B O 1 ATOM 1566 C CB . PHE A 1 211 ? 2.532 0.717 2.359 1.00 62.12 ? 226 PHE B CB 1 ATOM 1567 C CG . PHE A 1 211 ? 1.674 1.904 2.037 1.00 60.99 ? 226 PHE B CG 1 ATOM 1568 C CD1 . PHE A 1 211 ? 2.086 2.835 1.089 1.00 60.64 ? 226 PHE B CD1 1 ATOM 1569 C CD2 . PHE A 1 211 ? 0.449 2.090 2.674 1.00 64.02 ? 226 PHE B CD2 1 ATOM 1570 C CE1 . PHE A 1 211 ? 1.296 3.932 0.779 1.00 60.28 ? 226 PHE B CE1 1 ATOM 1571 C CE2 . PHE A 1 211 ? -0.350 3.183 2.365 1.00 62.89 ? 226 PHE B CE2 1 ATOM 1572 C CZ . PHE A 1 211 ? 0.073 4.104 1.412 1.00 61.39 ? 226 PHE B CZ 1 ATOM 1573 N N . ALA A 1 212 ? 4.818 -1.093 3.538 1.00 65.48 ? 227 ALA B N 1 ATOM 1574 C CA . ALA A 1 212 ? 5.166 -2.298 4.273 1.00 68.12 ? 227 ALA B CA 1 ATOM 1575 C C . ALA A 1 212 ? 5.940 -1.954 5.550 1.00 68.83 ? 227 ALA B C 1 ATOM 1576 O O . ALA A 1 212 ? 5.592 -2.419 6.628 1.00 71.45 ? 227 ALA B O 1 ATOM 1577 C CB . ALA A 1 212 ? 5.968 -3.239 3.398 1.00 65.84 ? 227 ALA B CB 1 ATOM 1578 N N . SER A 1 213 ? 6.954 -1.107 5.404 1.00 67.65 ? 228 SER B N 1 ATOM 1579 C CA . SER A 1 213 ? 7.851 -0.732 6.501 1.00 70.40 ? 228 SER B CA 1 ATOM 1580 C C . SER A 1 213 ? 7.147 0.072 7.588 1.00 73.39 ? 228 SER B C 1 ATOM 1581 O O . SER A 1 213 ? 7.471 -0.052 8.761 1.00 74.50 ? 228 SER B O 1 ATOM 1582 C CB . SER A 1 213 ? 9.031 0.088 5.968 1.00 70.00 ? 228 SER B CB 1 ATOM 1583 O OG . SER A 1 213 ? 8.648 1.435 5.726 1.00 70.64 ? 228 SER B OG 1 ATOM 1584 N N . GLU A 1 214 ? 6.168 0.877 7.199 1.00 75.12 ? 229 GLU B N 1 ATOM 1585 C CA . GLU A 1 214 ? 5.501 1.755 8.144 1.00 81.05 ? 229 GLU B CA 1 ATOM 1586 C C . GLU A 1 214 ? 4.227 1.156 8.744 1.00 80.74 ? 229 GLU B C 1 ATOM 1587 O O . GLU A 1 214 ? 3.392 1.884 9.283 1.00 81.30 ? 229 GLU B O 1 ATOM 1588 C CB . GLU A 1 214 ? 5.222 3.096 7.458 1.00 83.57 ? 229 GLU B CB 1 ATOM 1589 C CG . GLU A 1 214 ? 6.428 3.687 6.722 1.00 84.76 ? 229 GLU B CG 1 ATOM 1590 C CD . GLU A 1 214 ? 7.676 3.800 7.585 1.00 90.50 ? 229 GLU B CD 1 ATOM 1591 O OE1 . GLU A 1 214 ? 8.750 3.332 7.148 1.00 93.04 ? 229 GLU B OE1 1 ATOM 1592 O OE2 . GLU A 1 214 ? 7.584 4.357 8.703 1.00 88.64 ? 229 GLU B OE2 1 ATOM 1593 N N . PHE A 1 215 ? 4.088 -0.169 8.667 1.00 77.21 ? 230 PHE B N 1 ATOM 1594 C CA . PHE A 1 215 ? 2.951 -0.864 9.240 1.00 75.64 ? 230 PHE B CA 1 ATOM 1595 C C . PHE A 1 215 ? 1.684 -0.238 8.718 1.00 75.23 ? 230 PHE B C 1 ATOM 1596 O O . PHE A 1 215 ? 0.704 -0.099 9.448 1.00 74.14 ? 230 PHE B O 1 ATOM 1597 C CB . PHE A 1 215 ? 2.992 -0.785 10.766 1.00 79.51 ? 230 PHE B CB 1 ATOM 1598 C CG . PHE A 1 215 ? 4.339 -1.067 11.335 1.00 81.95 ? 230 PHE B CG 1 ATOM 1599 C CD1 . PHE A 1 215 ? 4.757 -2.380 11.529 1.00 82.11 ? 230 PHE B CD1 1 ATOM 1600 C CD2 . PHE A 1 215 ? 5.212 -0.027 11.638 1.00 84.62 ? 230 PHE B CD2 1 ATOM 1601 C CE1 . PHE A 1 215 ? 6.013 -2.653 12.040 1.00 84.77 ? 230 PHE B CE1 1 ATOM 1602 C CE2 . PHE A 1 215 ? 6.470 -0.292 12.153 1.00 87.89 ? 230 PHE B CE2 1 ATOM 1603 C CZ . PHE A 1 215 ? 6.872 -1.607 12.356 1.00 87.85 ? 230 PHE B CZ 1 ATOM 1604 N N . LEU A 1 216 ? 1.717 0.161 7.453 1.00 71.11 ? 231 LEU B N 1 ATOM 1605 C CA . LEU A 1 216 ? 0.587 0.830 6.848 1.00 72.59 ? 231 LEU B CA 1 ATOM 1606 C C . LEU A 1 216 ? 0.363 2.174 7.532 1.00 72.38 ? 231 LEU B C 1 ATOM 1607 O O . LEU A 1 216 ? -0.580 2.870 7.215 1.00 75.05 ? 231 LEU B O 1 ATOM 1608 C CB . LEU A 1 216 ? -0.674 -0.050 6.935 1.00 73.45 ? 231 LEU B CB 1 ATOM 1609 C CG . LEU A 1 216 ? -0.481 -1.580 6.828 1.00 75.64 ? 231 LEU B CG 1 ATOM 1610 C CD1 . LEU A 1 216 ? -1.800 -2.306 7.028 1.00 74.16 ? 231 LEU B CD1 1 ATOM 1611 C CD2 . LEU A 1 216 ? 0.168 -1.972 5.502 1.00 72.25 ? 231 LEU B CD2 1 ATOM 1612 N N . TRP B 1 4 ? -17.424 16.809 -64.110 1.00 54.66 ? 19 TRP A N 1 ATOM 1613 C CA . TRP B 1 4 ? -15.992 16.842 -64.560 1.00 53.43 ? 19 TRP A CA 1 ATOM 1614 C C . TRP B 1 4 ? -15.222 18.154 -64.240 1.00 51.91 ? 19 TRP A C 1 ATOM 1615 O O . TRP B 1 4 ? -15.812 19.178 -63.911 1.00 52.45 ? 19 TRP A O 1 ATOM 1616 C CB . TRP B 1 4 ? -15.898 16.516 -66.062 1.00 54.62 ? 19 TRP A CB 1 ATOM 1617 C CG . TRP B 1 4 ? -14.651 15.774 -66.433 1.00 54.19 ? 19 TRP A CG 1 ATOM 1618 C CD1 . TRP B 1 4 ? -13.624 16.232 -67.207 1.00 56.25 ? 19 TRP A CD1 1 ATOM 1619 C CD2 . TRP B 1 4 ? -14.296 14.439 -66.033 1.00 54.66 ? 19 TRP A CD2 1 ATOM 1620 N NE1 . TRP B 1 4 ? -12.664 15.261 -67.332 1.00 55.21 ? 19 TRP A NE1 1 ATOM 1621 C CE2 . TRP B 1 4 ? -13.044 14.149 -66.625 1.00 53.75 ? 19 TRP A CE2 1 ATOM 1622 C CE3 . TRP B 1 4 ? -14.922 13.454 -65.246 1.00 50.08 ? 19 TRP A CE3 1 ATOM 1623 C CZ2 . TRP B 1 4 ? -12.385 12.913 -66.446 1.00 54.33 ? 19 TRP A CZ2 1 ATOM 1624 C CZ3 . TRP B 1 4 ? -14.265 12.215 -65.067 1.00 58.75 ? 19 TRP A CZ3 1 ATOM 1625 C CH2 . TRP B 1 4 ? -13.004 11.964 -65.668 1.00 53.78 ? 19 TRP A CH2 1 ATOM 1626 N N . GLY B 1 5 ? -13.891 18.075 -64.313 1.00 49.67 ? 20 GLY A N 1 ATOM 1627 C CA . GLY B 1 5 ? -12.989 19.174 -63.989 1.00 48.85 ? 20 GLY A CA 1 ATOM 1628 C C . GLY B 1 5 ? -13.245 19.760 -62.608 1.00 50.12 ? 20 GLY A C 1 ATOM 1629 O O . GLY B 1 5 ? -13.305 19.033 -61.602 1.00 43.44 ? 20 GLY A O 1 ATOM 1630 N N . ASP B 1 6 ? -13.452 21.077 -62.580 1.00 48.98 ? 21 ASP A N 1 ATOM 1631 C CA . ASP B 1 6 ? -13.844 21.806 -61.368 1.00 53.02 ? 21 ASP A CA 1 ATOM 1632 C C . ASP B 1 6 ? -15.080 21.255 -60.675 1.00 45.58 ? 21 ASP A C 1 ATOM 1633 O O . ASP B 1 6 ? -15.224 21.430 -59.474 1.00 43.85 ? 21 ASP A O 1 ATOM 1634 C CB . ASP B 1 6 ? -14.103 23.293 -61.682 1.00 60.47 ? 21 ASP A CB 1 ATOM 1635 C CG . ASP B 1 6 ? -12.830 24.071 -61.960 1.00 69.22 ? 21 ASP A CG 1 ATOM 1636 O OD1 . ASP B 1 6 ? -11.742 23.669 -61.494 1.00 72.50 ? 21 ASP A OD1 1 ATOM 1637 O OD2 . ASP B 1 6 ? -12.923 25.106 -62.649 1.00 83.23 ? 21 ASP A OD2 1 ATOM 1638 N N . GLU B 1 7 ? -15.947 20.577 -61.420 1.00 44.34 ? 22 GLU A N 1 ATOM 1639 C CA . GLU B 1 7 ? -17.180 20.005 -60.872 1.00 48.81 ? 22 GLU A CA 1 ATOM 1640 C C . GLU B 1 7 ? -16.886 18.786 -59.973 1.00 44.01 ? 22 GLU A C 1 ATOM 1641 O O . GLU B 1 7 ? -17.760 18.331 -59.244 1.00 46.15 ? 22 GLU A O 1 ATOM 1642 C CB . GLU B 1 7 ? -18.136 19.539 -61.977 1.00 54.74 ? 22 GLU A CB 1 ATOM 1643 C CG . GLU B 1 7 ? -18.169 20.352 -63.273 1.00 66.91 ? 22 GLU A CG 1 ATOM 1644 C CD . GLU B 1 7 ? -19.301 21.332 -63.326 1.00 73.82 ? 22 GLU A CD 1 ATOM 1645 O OE1 . GLU B 1 7 ? -20.125 21.212 -64.258 1.00 82.28 ? 22 GLU A OE1 1 ATOM 1646 O OE2 . GLU B 1 7 ? -19.366 22.214 -62.443 1.00 84.56 ? 22 GLU A OE2 1 ATOM 1647 N N . LEU B 1 8 ? -15.680 18.240 -60.063 1.00 41.23 ? 23 LEU A N 1 ATOM 1648 C CA . LEU B 1 8 ? -15.252 17.153 -59.183 1.00 37.90 ? 23 LEU A CA 1 ATOM 1649 C C . LEU B 1 8 ? -14.696 17.619 -57.838 1.00 35.45 ? 23 LEU A C 1 ATOM 1650 O O . LEU B 1 8 ? -14.381 16.793 -57.006 1.00 35.56 ? 23 LEU A O 1 ATOM 1651 C CB . LEU B 1 8 ? -14.206 16.306 -59.885 1.00 34.48 ? 23 LEU A CB 1 ATOM 1652 C CG . LEU B 1 8 ? -14.641 15.616 -61.170 1.00 37.97 ? 23 LEU A CG 1 ATOM 1653 C CD1 . LEU B 1 8 ? -13.455 14.860 -61.751 1.00 38.35 ? 23 LEU A CD1 1 ATOM 1654 C CD2 . LEU B 1 8 ? -15.823 14.673 -60.980 1.00 40.01 ? 23 LEU A CD2 1 ATOM 1655 N N . LEU B 1 9 ? -14.539 18.918 -57.627 1.00 32.98 ? 24 LEU A N 1 ATOM 1656 C CA . LEU B 1 9 ? -14.053 19.417 -56.354 1.00 33.56 ? 24 LEU A CA 1 ATOM 1657 C C . LEU B 1 9 ? -15.228 19.648 -55.448 1.00 34.70 ? 24 LEU A C 1 ATOM 1658 O O . LEU B 1 9 ? -16.299 20.037 -55.890 1.00 32.53 ? 24 LEU A O 1 ATOM 1659 C CB . LEU B 1 9 ? -13.255 20.714 -56.542 1.00 35.99 ? 24 LEU A CB 1 ATOM 1660 C CG . LEU B 1 9 ? -12.033 20.538 -57.464 1.00 37.43 ? 24 LEU A CG 1 ATOM 1661 C CD1 . LEU B 1 9 ? -11.230 21.826 -57.559 1.00 40.46 ? 24 LEU A CD1 1 ATOM 1662 C CD2 . LEU B 1 9 ? -11.152 19.375 -57.016 1.00 38.12 ? 24 LEU A CD2 1 ATOM 1663 N N . ASN B 1 10 ? -15.048 19.370 -54.170 1.00 31.57 ? 25 ASN A N 1 ATOM 1664 C CA . ASN B 1 10 ? -16.080 19.681 -53.229 1.00 35.59 ? 25 ASN A CA 1 ATOM 1665 C C . ASN B 1 10 ? -17.449 19.063 -53.465 1.00 32.28 ? 25 ASN A C 1 ATOM 1666 O O . ASN B 1 10 ? -18.482 19.727 -53.408 1.00 33.91 ? 25 ASN A O 1 ATOM 1667 C CB . ASN B 1 10 ? -16.203 21.186 -53.154 1.00 39.26 ? 25 ASN A CB 1 ATOM 1668 C CG . ASN B 1 10 ? -16.070 21.634 -51.772 1.00 48.63 ? 25 ASN A CG 1 ATOM 1669 O OD1 . ASN B 1 10 ? -14.994 21.474 -51.184 1.00 51.77 ? 25 ASN A OD1 1 ATOM 1670 N ND2 . ASN B 1 10 ? -17.162 22.081 -51.183 1.00 55.73 ? 25 ASN A ND2 1 ATOM 1671 N N . ILE B 1 11 ? -17.425 17.760 -53.681 1.00 32.71 ? 26 ILE A N 1 ATOM 1672 C CA . ILE B 1 11 ? -18.618 16.950 -53.855 1.00 31.31 ? 26 ILE A CA 1 ATOM 1673 C C . ILE B 1 11 ? -18.539 15.740 -52.947 1.00 32.76 ? 26 ILE A C 1 ATOM 1674 O O . ILE B 1 11 ? -17.459 15.437 -52.389 1.00 29.43 ? 26 ILE A O 1 ATOM 1675 C CB . ILE B 1 11 ? -18.788 16.490 -55.324 1.00 34.34 ? 26 ILE A CB 1 ATOM 1676 C CG1 . ILE B 1 11 ? -17.547 15.725 -55.812 1.00 34.19 ? 26 ILE A CG1 1 ATOM 1677 C CG2 . ILE B 1 11 ? -19.087 17.691 -56.213 1.00 35.21 ? 26 ILE A CG2 1 ATOM 1678 C CD1 . ILE B 1 11 ? -17.716 15.028 -57.145 1.00 35.94 ? 26 ILE A CD1 1 ATOM 1679 N N . CYS B 1 12 ? -19.694 15.078 -52.796 1.00 31.74 ? 27 CYS A N 1 ATOM 1680 C CA . CYS B 1 12 ? -19.823 13.841 -52.037 1.00 33.39 ? 27 CYS A CA 1 ATOM 1681 C C . CYS B 1 12 ? -20.286 12.727 -52.972 1.00 33.91 ? 27 CYS A C 1 ATOM 1682 O O . CYS B 1 12 ? -21.156 12.949 -53.818 1.00 33.50 ? 27 CYS A O 1 ATOM 1683 C CB . CYS B 1 12 ? -20.848 14.003 -50.914 1.00 33.80 ? 27 CYS A CB 1 ATOM 1684 S SG . CYS B 1 12 ? -20.488 15.330 -49.748 1.00 32.83 ? 27 CYS A SG 1 ATOM 1685 N N . MET B 1 13 ? -19.733 11.528 -52.813 1.00 31.03 ? 28 MET A N 1 ATOM 1686 C CA . MET B 1 13 ? -20.247 10.380 -53.574 1.00 31.18 ? 28 MET A CA 1 ATOM 1687 C C . MET B 1 13 ? -21.683 10.108 -53.171 1.00 31.14 ? 28 MET A C 1 ATOM 1688 O O . MET B 1 13 ? -22.077 10.300 -52.013 1.00 28.23 ? 28 MET A O 1 ATOM 1689 C CB . MET B 1 13 ? -19.416 9.116 -53.375 1.00 30.21 ? 28 MET A CB 1 ATOM 1690 C CG . MET B 1 13 ? -19.535 8.468 -51.998 1.00 31.91 ? 28 MET A CG 1 ATOM 1691 S SD . MET B 1 13 ? -18.480 7.021 -51.790 1.00 28.49 ? 28 MET A SD 1 ATOM 1692 C CE . MET B 1 13 ? -16.920 7.736 -51.259 1.00 28.86 ? 28 MET A CE 1 ATOM 1693 N N . ASN B 1 14 ? -22.452 9.634 -54.136 1.00 33.32 ? 29 ASN A N 1 ATOM 1694 C CA . ASN B 1 14 ? -23.808 9.197 -53.886 1.00 37.71 ? 29 ASN A CA 1 ATOM 1695 C C . ASN B 1 14 ? -23.857 7.757 -53.335 1.00 38.30 ? 29 ASN A C 1 ATOM 1696 O O . ASN B 1 14 ? -24.263 6.817 -54.033 1.00 38.02 ? 29 ASN A O 1 ATOM 1697 C CB . ASN B 1 14 ? -24.616 9.372 -55.183 1.00 44.00 ? 29 ASN A CB 1 ATOM 1698 C CG . ASN B 1 14 ? -26.093 9.051 -55.026 1.00 53.70 ? 29 ASN A CG 1 ATOM 1699 O OD1 . ASN B 1 14 ? -26.737 8.642 -55.997 1.00 60.15 ? 29 ASN A OD1 1 ATOM 1700 N ND2 . ASN B 1 14 ? -26.648 9.234 -53.822 1.00 54.73 ? 29 ASN A ND2 1 ATOM 1701 N N . ALA B 1 15 ? -23.430 7.589 -52.080 1.00 35.19 ? 30 ALA A N 1 ATOM 1702 C CA . ALA B 1 15 ? -23.582 6.322 -51.361 1.00 37.96 ? 30 ALA A CA 1 ATOM 1703 C C . ALA B 1 15 ? -24.571 6.531 -50.212 1.00 40.11 ? 30 ALA A C 1 ATOM 1704 O O . ALA B 1 15 ? -25.079 7.642 -50.011 1.00 39.75 ? 30 ALA A O 1 ATOM 1705 C CB . ALA B 1 15 ? -22.228 5.802 -50.873 1.00 39.76 ? 30 ALA A CB 1 ATOM 1706 N N . LYS B 1 16 ? -24.878 5.492 -49.450 1.00 41.65 ? 31 LYS A N 1 ATOM 1707 C CA . LYS B 1 16 ? -26.125 5.567 -48.711 1.00 44.02 ? 31 LYS A CA 1 ATOM 1708 C C . LYS B 1 16 ? -26.155 6.542 -47.564 1.00 40.95 ? 31 LYS A C 1 ATOM 1709 O O . LYS B 1 16 ? -27.222 7.047 -47.280 1.00 39.81 ? 31 LYS A O 1 ATOM 1710 C CB . LYS B 1 16 ? -26.659 4.211 -48.276 1.00 54.30 ? 31 LYS A CB 1 ATOM 1711 C CG . LYS B 1 16 ? -25.830 3.403 -47.312 1.00 61.17 ? 31 LYS A CG 1 ATOM 1712 C CD . LYS B 1 16 ? -26.710 2.334 -46.662 1.00 71.60 ? 31 LYS A CD 1 ATOM 1713 C CE . LYS B 1 16 ? -26.013 0.989 -46.538 1.00 81.49 ? 31 LYS A CE 1 ATOM 1714 N NZ . LYS B 1 16 ? -26.955 -0.058 -46.045 1.00 88.93 ? 31 LYS A NZ 1 ATOM 1715 N N . HIS B 1 17 ? -25.028 6.819 -46.908 1.00 33.82 ? 32 HIS A N 1 ATOM 1716 C CA . HIS B 1 17 ? -25.059 7.754 -45.774 1.00 36.24 ? 32 HIS A CA 1 ATOM 1717 C C . HIS B 1 17 ? -24.667 9.159 -46.144 1.00 32.89 ? 32 HIS A C 1 ATOM 1718 O O . HIS B 1 17 ? -24.969 10.072 -45.400 1.00 32.54 ? 32 HIS A O 1 ATOM 1719 C CB . HIS B 1 17 ? -24.198 7.252 -44.621 1.00 38.09 ? 32 HIS A CB 1 ATOM 1720 C CG . HIS B 1 17 ? -24.459 5.819 -44.287 1.00 40.37 ? 32 HIS A CG 1 ATOM 1721 N ND1 . HIS B 1 17 ? -25.681 5.376 -43.817 1.00 45.05 ? 32 HIS A ND1 1 ATOM 1722 C CD2 . HIS B 1 17 ? -23.690 4.718 -44.435 1.00 39.87 ? 32 HIS A CD2 1 ATOM 1723 C CE1 . HIS B 1 17 ? -25.633 4.069 -43.642 1.00 42.99 ? 32 HIS A CE1 1 ATOM 1724 N NE2 . HIS B 1 17 ? -24.438 3.645 -44.018 1.00 42.59 ? 32 HIS A NE2 1 ATOM 1725 N N . HIS B 1 18 ? -24.002 9.337 -47.279 1.00 30.32 ? 33 HIS A N 1 ATOM 1726 C CA . HIS B 1 18 ? -23.351 10.600 -47.570 1.00 29.29 ? 33 HIS A CA 1 ATOM 1727 C C . HIS B 1 18 ? -24.325 11.750 -47.682 1.00 29.94 ? 33 HIS A C 1 ATOM 1728 O O . HIS B 1 18 ? -25.429 11.582 -48.189 1.00 26.41 ? 33 HIS A O 1 ATOM 1729 C CB . HIS B 1 18 ? -22.542 10.536 -48.860 1.00 29.20 ? 33 HIS A CB 1 ATOM 1730 C CG . HIS B 1 18 ? -21.228 9.843 -48.700 1.00 27.53 ? 33 HIS A CG 1 ATOM 1731 N ND1 . HIS B 1 18 ? -21.126 8.481 -48.539 1.00 27.51 ? 33 HIS A ND1 1 ATOM 1732 C CD2 . HIS B 1 18 ? -19.974 10.327 -48.629 1.00 27.84 ? 33 HIS A CD2 1 ATOM 1733 C CE1 . HIS B 1 18 ? -19.859 8.150 -48.408 1.00 30.79 ? 33 HIS A CE1 1 ATOM 1734 N NE2 . HIS B 1 18 ? -19.137 9.256 -48.439 1.00 28.93 ? 33 HIS A NE2 1 ATOM 1735 N N . LYS B 1 19 ? -23.891 12.924 -47.231 1.00 28.73 ? 34 LYS A N 1 ATOM 1736 C CA . LYS B 1 19 ? -24.680 14.141 -47.448 1.00 32.48 ? 34 LYS A CA 1 ATOM 1737 C C . LYS B 1 19 ? -24.673 14.473 -48.931 1.00 32.69 ? 34 LYS A C 1 ATOM 1738 O O . LYS B 1 19 ? -23.775 14.063 -49.686 1.00 33.48 ? 34 LYS A O 1 ATOM 1739 C CB . LYS B 1 19 ? -24.105 15.299 -46.669 1.00 35.14 ? 34 LYS A CB 1 ATOM 1740 C CG . LYS B 1 19 ? -24.279 15.172 -45.160 1.00 34.90 ? 34 LYS A CG 1 ATOM 1741 C CD . LYS B 1 19 ? -23.292 16.069 -44.427 1.00 34.65 ? 34 LYS A CD 1 ATOM 1742 C CE . LYS B 1 19 ? -23.450 17.539 -44.782 1.00 35.05 ? 34 LYS A CE 1 ATOM 1743 N NZ . LYS B 1 19 ? -22.388 18.358 -44.123 1.00 35.37 ? 34 LYS A NZ 1 ATOM 1744 N N . ARG B 1 20 ? -25.678 15.213 -49.343 1.00 31.71 ? 35 ARG A N 1 ATOM 1745 C CA . ARG B 1 20 ? -25.893 15.506 -50.747 1.00 34.23 ? 35 ARG A CA 1 ATOM 1746 C C . ARG B 1 20 ? -24.739 16.333 -51.278 1.00 31.73 ? 35 ARG A C 1 ATOM 1747 O O . ARG B 1 20 ? -24.303 16.128 -52.402 1.00 34.29 ? 35 ARG A O 1 ATOM 1748 C CB . ARG B 1 20 ? -27.238 16.242 -50.897 1.00 36.58 ? 35 ARG A CB 1 ATOM 1749 C CG . ARG B 1 20 ? -27.769 16.372 -52.308 1.00 41.88 ? 35 ARG A CG 1 ATOM 1750 C CD . ARG B 1 20 ? -29.190 16.937 -52.268 1.00 43.73 ? 35 ARG A CD 1 ATOM 1751 N NE . ARG B 1 20 ? -29.492 17.666 -53.488 1.00 47.12 ? 35 ARG A NE 1 ATOM 1752 C CZ . ARG B 1 20 ? -30.550 18.455 -53.676 1.00 48.53 ? 35 ARG A CZ 1 ATOM 1753 N NH1 . ARG B 1 20 ? -31.449 18.651 -52.721 1.00 50.86 ? 35 ARG A NH1 1 ATOM 1754 N NH2 . ARG B 1 20 ? -30.699 19.069 -54.839 1.00 53.07 ? 35 ARG A NH2 1 ATOM 1755 N N . VAL B 1 21 ? -24.249 17.266 -50.468 1.00 31.73 ? 36 VAL A N 1 ATOM 1756 C CA . VAL B 1 21 ? -23.036 18.017 -50.775 1.00 32.77 ? 36 VAL A CA 1 ATOM 1757 C C . VAL B 1 21 ? -22.291 18.288 -49.482 1.00 31.67 ? 36 VAL A C 1 ATOM 1758 O O . VAL B 1 21 ? -22.866 18.184 -48.397 1.00 30.22 ? 36 VAL A O 1 ATOM 1759 C CB . VAL B 1 21 ? -23.345 19.363 -51.459 1.00 34.10 ? 36 VAL A CB 1 ATOM 1760 C CG1 . VAL B 1 21 ? -24.004 19.154 -52.805 1.00 35.66 ? 36 VAL A CG1 1 ATOM 1761 C CG2 . VAL B 1 21 ? -24.191 20.259 -50.563 1.00 35.89 ? 36 VAL A CG2 1 ATOM 1762 N N . PRO B 1 22 ? -21.001 18.636 -49.571 1.00 33.59 ? 37 PRO A N 1 ATOM 1763 C CA . PRO B 1 22 ? -20.363 18.871 -48.296 1.00 32.29 ? 37 PRO A CA 1 ATOM 1764 C C . PRO B 1 22 ? -20.760 20.210 -47.725 1.00 32.96 ? 37 PRO A C 1 ATOM 1765 O O . PRO B 1 22 ? -21.123 21.121 -48.467 1.00 32.45 ? 37 PRO A O 1 ATOM 1766 C CB . PRO B 1 22 ? -18.871 18.829 -48.609 1.00 34.81 ? 37 PRO A CB 1 ATOM 1767 C CG . PRO B 1 22 ? -18.750 19.024 -50.061 1.00 36.87 ? 37 PRO A CG 1 ATOM 1768 C CD . PRO B 1 22 ? -20.072 18.763 -50.707 1.00 35.56 ? 37 PRO A CD 1 ATOM 1769 N N . SER B 1 23 ? -20.728 20.305 -46.411 1.00 32.98 ? 38 SER A N 1 ATOM 1770 C CA . SER B 1 23 ? -20.926 21.574 -45.751 1.00 36.39 ? 38 SER A CA 1 ATOM 1771 C C . SER B 1 23 ? -20.315 21.530 -44.368 1.00 37.41 ? 38 SER A C 1 ATOM 1772 O O . SER B 1 23 ? -20.040 20.438 -43.852 1.00 34.71 ? 38 SER A O 1 ATOM 1773 C CB . SER B 1 23 ? -22.421 21.874 -45.639 1.00 34.86 ? 38 SER A CB 1 ATOM 1774 O OG . SER B 1 23 ? -23.034 20.922 -44.813 1.00 32.42 ? 38 SER A OG 1 ATOM 1775 N N . PRO B 1 24 ? -20.160 22.710 -43.736 1.00 41.83 ? 39 PRO A N 1 ATOM 1776 C CA . PRO B 1 24 ? -19.617 22.697 -42.390 1.00 39.59 ? 39 PRO A CA 1 ATOM 1777 C C . PRO B 1 24 ? -20.524 21.970 -41.414 1.00 39.49 ? 39 PRO A C 1 ATOM 1778 O O . PRO B 1 24 ? -21.752 21.915 -41.592 1.00 37.80 ? 39 PRO A O 1 ATOM 1779 C CB . PRO B 1 24 ? -19.504 24.191 -42.037 1.00 42.80 ? 39 PRO A CB 1 ATOM 1780 C CG . PRO B 1 24 ? -19.486 24.898 -43.353 1.00 45.00 ? 39 PRO A CG 1 ATOM 1781 C CD . PRO B 1 24 ? -20.421 24.091 -44.199 1.00 43.76 ? 39 PRO A CD 1 ATOM 1782 N N . GLU B 1 25 ? -19.915 21.389 -40.396 1.00 39.86 ? 40 GLU A N 1 ATOM 1783 C CA . GLU B 1 25 ? -20.664 20.779 -39.304 1.00 39.99 ? 40 GLU A CA 1 ATOM 1784 C C . GLU B 1 25 ? -20.179 21.375 -37.997 1.00 41.22 ? 40 GLU A C 1 ATOM 1785 O O . GLU B 1 25 ? -18.983 21.329 -37.700 1.00 43.06 ? 40 GLU A O 1 ATOM 1786 C CB . GLU B 1 25 ? -20.468 19.269 -39.292 1.00 39.94 ? 40 GLU A CB 1 ATOM 1787 C CG . GLU B 1 25 ? -21.105 18.563 -40.481 1.00 37.20 ? 40 GLU A CG 1 ATOM 1788 C CD . GLU B 1 25 ? -22.604 18.431 -40.352 1.00 38.45 ? 40 GLU A CD 1 ATOM 1789 O OE1 . GLU B 1 25 ? -23.237 18.122 -41.379 1.00 36.63 ? 40 GLU A OE1 1 ATOM 1790 O OE2 . GLU B 1 25 ? -23.143 18.624 -39.240 1.00 36.52 ? 40 GLU A OE2 1 ATOM 1791 N N . ASP B 1 26 ? -21.118 21.917 -37.223 1.00 43.88 ? 41 ASP A N 1 ATOM 1792 C CA . ASP B 1 26 ? -20.837 22.497 -35.900 1.00 48.78 ? 41 ASP A CA 1 ATOM 1793 C C . ASP B 1 26 ? -20.155 21.461 -35.011 1.00 45.87 ? 41 ASP A C 1 ATOM 1794 O O . ASP B 1 26 ? -19.223 21.802 -34.289 1.00 48.91 ? 41 ASP A O 1 ATOM 1795 C CB . ASP B 1 26 ? -22.132 22.976 -35.201 1.00 49.53 ? 41 ASP A CB 1 ATOM 1796 C CG . ASP B 1 26 ? -22.849 24.116 -35.954 1.00 55.07 ? 41 ASP A CG 1 ATOM 1797 O OD1 . ASP B 1 26 ? -22.167 24.882 -36.662 1.00 59.05 ? 41 ASP A OD1 1 ATOM 1798 O OD2 . ASP B 1 26 ? -24.100 24.250 -35.828 1.00 57.50 ? 41 ASP A OD2 1 ATOM 1799 N N . LYS B 1 27 ? -20.625 20.210 -35.092 1.00 44.51 ? 42 LYS A N 1 ATOM 1800 C CA . LYS B 1 27 ? -20.136 19.112 -34.261 1.00 45.76 ? 42 LYS A CA 1 ATOM 1801 C C . LYS B 1 27 ? -19.889 17.819 -35.065 1.00 42.09 ? 42 LYS A C 1 ATOM 1802 O O . LYS B 1 27 ? -20.799 17.299 -35.693 1.00 40.32 ? 42 LYS A O 1 ATOM 1803 C CB . LYS B 1 27 ? -21.175 18.813 -33.161 1.00 49.80 ? 42 LYS A CB 1 ATOM 1804 C CG . LYS B 1 27 ? -20.594 18.589 -31.777 1.00 57.65 ? 42 LYS A CG 1 ATOM 1805 C CD . LYS B 1 27 ? -19.756 17.321 -31.673 1.00 67.04 ? 42 LYS A CD 1 ATOM 1806 C CE . LYS B 1 27 ? -19.170 17.174 -30.267 1.00 68.66 ? 42 LYS A CE 1 ATOM 1807 N NZ . LYS B 1 27 ? -18.696 15.789 -29.977 1.00 68.15 ? 42 LYS A NZ 1 ATOM 1808 N N . LEU B 1 28 ? -18.668 17.293 -35.006 1.00 38.87 ? 43 LEU A N 1 ATOM 1809 C CA . LEU B 1 28 ? -18.413 15.888 -35.361 1.00 34.35 ? 43 LEU A CA 1 ATOM 1810 C C . LEU B 1 28 ? -17.706 15.167 -34.213 1.00 34.62 ? 43 LEU A C 1 ATOM 1811 O O . LEU B 1 28 ? -16.984 15.772 -33.430 1.00 34.52 ? 43 LEU A O 1 ATOM 1812 C CB . LEU B 1 28 ? -17.617 15.772 -36.659 1.00 31.27 ? 43 LEU A CB 1 ATOM 1813 C CG . LEU B 1 28 ? -18.235 16.416 -37.905 1.00 30.37 ? 43 LEU A CG 1 ATOM 1814 C CD1 . LEU B 1 28 ? -17.296 16.352 -39.093 1.00 30.18 ? 43 LEU A CD1 1 ATOM 1815 C CD2 . LEU B 1 28 ? -19.556 15.757 -38.272 1.00 30.28 ? 43 LEU A CD2 1 ATOM 1816 N N . TYR B 1 29 ? -17.951 13.868 -34.128 1.00 32.19 ? 44 TYR A N 1 ATOM 1817 C CA . TYR B 1 29 ? -17.464 13.050 -33.048 1.00 32.91 ? 44 TYR A CA 1 ATOM 1818 C C . TYR B 1 29 ? -16.022 12.578 -33.257 1.00 33.32 ? 44 TYR A C 1 ATOM 1819 O O . TYR B 1 29 ? -15.659 12.079 -34.331 1.00 28.73 ? 44 TYR A O 1 ATOM 1820 C CB . TYR B 1 29 ? -18.378 11.853 -32.895 1.00 35.24 ? 44 TYR A CB 1 ATOM 1821 C CG . TYR B 1 29 ? -18.164 11.042 -31.629 1.00 38.92 ? 44 TYR A CG 1 ATOM 1822 C CD1 . TYR B 1 29 ? -18.665 11.462 -30.388 1.00 41.51 ? 44 TYR A CD1 1 ATOM 1823 C CD2 . TYR B 1 29 ? -17.514 9.822 -31.688 1.00 38.13 ? 44 TYR A CD2 1 ATOM 1824 C CE1 . TYR B 1 29 ? -18.472 10.692 -29.237 1.00 42.47 ? 44 TYR A CE1 1 ATOM 1825 C CE2 . TYR B 1 29 ? -17.317 9.046 -30.558 1.00 43.45 ? 44 TYR A CE2 1 ATOM 1826 C CZ . TYR B 1 29 ? -17.790 9.474 -29.337 1.00 44.11 ? 44 TYR A CZ 1 ATOM 1827 O OH . TYR B 1 29 ? -17.556 8.652 -28.262 1.00 46.00 ? 44 TYR A OH 1 ATOM 1828 N N . GLU B 1 30 ? -15.224 12.777 -32.207 1.00 30.52 ? 45 GLU A N 1 ATOM 1829 C CA . GLU B 1 30 ? -13.865 12.257 -32.043 1.00 31.84 ? 45 GLU A CA 1 ATOM 1830 C C . GLU B 1 30 ? -13.014 12.258 -33.318 1.00 29.91 ? 45 GLU A C 1 ATOM 1831 O O . GLU B 1 30 ? -12.682 13.332 -33.813 1.00 28.41 ? 45 GLU A O 1 ATOM 1832 C CB . GLU B 1 30 ? -13.905 10.896 -31.327 1.00 35.29 ? 45 GLU A CB 1 ATOM 1833 C CG . GLU B 1 30 ? -14.383 11.000 -29.887 1.00 37.77 ? 45 GLU A CG 1 ATOM 1834 C CD . GLU B 1 30 ? -13.281 11.478 -28.955 1.00 41.13 ? 45 GLU A CD 1 ATOM 1835 O OE1 . GLU B 1 30 ? -13.430 12.568 -28.340 1.00 44.83 ? 45 GLU A OE1 1 ATOM 1836 O OE2 . GLU B 1 30 ? -12.258 10.757 -28.851 1.00 43.91 ? 45 GLU A OE2 1 ATOM 1837 N N . GLU B 1 31 ? -12.666 11.080 -33.826 1.00 28.61 ? 46 GLU A N 1 ATOM 1838 C CA . GLU B 1 31 ? -11.809 10.917 -35.010 1.00 30.50 ? 46 GLU A CA 1 ATOM 1839 C C . GLU B 1 31 ? -12.275 11.624 -36.267 1.00 27.69 ? 46 GLU A C 1 ATOM 1840 O O . GLU B 1 31 ? -11.458 11.832 -37.148 1.00 26.31 ? 46 GLU A O 1 ATOM 1841 C CB . GLU B 1 31 ? -11.567 9.430 -35.343 1.00 29.64 ? 46 GLU A CB 1 ATOM 1842 C CG . GLU B 1 31 ? -10.886 8.623 -34.248 1.00 30.97 ? 46 GLU A CG 1 ATOM 1843 C CD . GLU B 1 31 ? -9.613 9.269 -33.721 1.00 34.17 ? 46 GLU A CD 1 ATOM 1844 O OE1 . GLU B 1 31 ? -8.785 9.742 -34.520 1.00 34.72 ? 46 GLU A OE1 1 ATOM 1845 O OE2 . GLU B 1 31 ? -9.471 9.337 -32.490 1.00 37.57 ? 46 GLU A OE2 1 ATOM 1846 N N . CYS B 1 32 ? -13.565 11.971 -36.377 1.00 25.07 ? 47 CYS A N 1 ATOM 1847 C CA . CYS B 1 32 ? -14.035 12.682 -37.559 1.00 26.55 ? 47 CYS A CA 1 ATOM 1848 C C . CYS B 1 32 ? -13.862 14.218 -37.468 1.00 29.35 ? 47 CYS A C 1 ATOM 1849 O O . CYS B 1 32 ? -14.109 14.929 -38.453 1.00 26.94 ? 47 CYS A O 1 ATOM 1850 C CB . CYS B 1 32 ? -15.501 12.309 -37.886 1.00 27.49 ? 47 CYS A CB 1 ATOM 1851 S SG . CYS B 1 32 ? -15.864 10.550 -38.249 1.00 28.00 ? 47 CYS A SG 1 ATOM 1852 N N . ILE B 1 33 ? -13.374 14.728 -36.328 1.00 28.26 ? 48 ILE A N 1 ATOM 1853 C CA . ILE B 1 33 ? -13.291 16.172 -36.116 1.00 30.92 ? 48 ILE A CA 1 ATOM 1854 C C . ILE B 1 33 ? -12.531 16.917 -37.228 1.00 29.54 ? 48 ILE A C 1 ATOM 1855 O O . ILE B 1 33 ? -12.948 18.024 -37.602 1.00 29.01 ? 48 ILE A O 1 ATOM 1856 C CB . ILE B 1 33 ? -12.755 16.488 -34.683 1.00 33.30 ? 48 ILE A CB 1 ATOM 1857 C CG1 . ILE B 1 33 ? -13.867 16.211 -33.660 1.00 35.40 ? 48 ILE A CG1 1 ATOM 1858 C CG2 . ILE B 1 33 ? -12.315 17.942 -34.539 1.00 35.44 ? 48 ILE A CG2 1 ATOM 1859 C CD1 . ILE B 1 33 ? -13.405 16.240 -32.216 1.00 37.24 ? 48 ILE A CD1 1 ATOM 1860 N N . PRO B 1 34 ? -11.452 16.315 -37.790 1.00 27.97 ? 49 PRO A N 1 ATOM 1861 C CA . PRO B 1 34 ? -10.726 17.034 -38.856 1.00 27.04 ? 49 PRO A CA 1 ATOM 1862 C C . PRO B 1 34 ? -11.597 17.581 -39.993 1.00 27.19 ? 49 PRO A C 1 ATOM 1863 O O . PRO B 1 34 ? -11.243 18.603 -40.576 1.00 27.92 ? 49 PRO A O 1 ATOM 1864 C CB . PRO B 1 34 ? -9.747 15.986 -39.383 1.00 26.46 ? 49 PRO A CB 1 ATOM 1865 C CG . PRO B 1 34 ? -9.456 15.152 -38.183 1.00 26.66 ? 49 PRO A CG 1 ATOM 1866 C CD . PRO B 1 34 ? -10.768 15.051 -37.449 1.00 27.24 ? 49 PRO A CD 1 ATOM 1867 N N . TRP B 1 35 ? -12.723 16.933 -40.293 1.00 25.46 ? 50 TRP A N 1 ATOM 1868 C CA . TRP B 1 35 ? -13.523 17.283 -41.470 1.00 26.98 ? 50 TRP A CA 1 ATOM 1869 C C . TRP B 1 35 ? -14.596 18.334 -41.197 1.00 28.98 ? 50 TRP A C 1 ATOM 1870 O O . TRP B 1 35 ? -15.345 18.702 -42.094 1.00 27.68 ? 50 TRP A O 1 ATOM 1871 C CB . TRP B 1 35 ? -14.147 16.009 -42.101 1.00 25.08 ? 50 TRP A CB 1 ATOM 1872 C CG . TRP B 1 35 ? -13.071 15.179 -42.764 1.00 24.15 ? 50 TRP A CG 1 ATOM 1873 C CD1 . TRP B 1 35 ? -12.578 15.349 -44.017 1.00 23.78 ? 50 TRP A CD1 1 ATOM 1874 C CD2 . TRP B 1 35 ? -12.304 14.125 -42.169 1.00 21.82 ? 50 TRP A CD2 1 ATOM 1875 N NE1 . TRP B 1 35 ? -11.565 14.451 -44.255 1.00 23.64 ? 50 TRP A NE1 1 ATOM 1876 C CE2 . TRP B 1 35 ? -11.394 13.669 -43.142 1.00 23.02 ? 50 TRP A CE2 1 ATOM 1877 C CE3 . TRP B 1 35 ? -12.317 13.508 -40.920 1.00 21.14 ? 50 TRP A CE3 1 ATOM 1878 C CZ2 . TRP B 1 35 ? -10.465 12.655 -42.887 1.00 21.48 ? 50 TRP A CZ2 1 ATOM 1879 C CZ3 . TRP B 1 35 ? -11.434 12.470 -40.674 1.00 22.02 ? 50 TRP A CZ3 1 ATOM 1880 C CH2 . TRP B 1 35 ? -10.503 12.058 -41.655 1.00 22.10 ? 50 TRP A CH2 1 ATOM 1881 N N . LYS B 1 36 ? -14.668 18.850 -39.984 1.00 32.60 ? 51 LYS A N 1 ATOM 1882 C CA . LYS B 1 36 ? -15.857 19.614 -39.626 1.00 35.55 ? 51 LYS A CA 1 ATOM 1883 C C . LYS B 1 36 ? -16.004 20.969 -40.375 1.00 34.89 ? 51 LYS A C 1 ATOM 1884 O O . LYS B 1 36 ? -17.123 21.386 -40.600 1.00 32.30 ? 51 LYS A O 1 ATOM 1885 C CB . LYS B 1 36 ? -16.030 19.689 -38.107 1.00 41.36 ? 51 LYS A CB 1 ATOM 1886 C CG . LYS B 1 36 ? -15.435 20.853 -37.366 1.00 47.36 ? 51 LYS A CG 1 ATOM 1887 C CD . LYS B 1 36 ? -15.530 20.552 -35.869 1.00 52.68 ? 51 LYS A CD 1 ATOM 1888 C CE . LYS B 1 36 ? -15.815 21.796 -35.059 1.00 58.61 ? 51 LYS A CE 1 ATOM 1889 N NZ . LYS B 1 36 ? -15.511 21.558 -33.620 1.00 64.16 ? 51 LYS A NZ 1 ATOM 1890 N N . ASP B 1 37 ? -14.909 21.593 -40.821 1.00 33.60 ? 52 ASP A N 1 ATOM 1891 C CA . ASP B 1 37 ? -14.985 22.758 -41.745 1.00 38.00 ? 52 ASP A CA 1 ATOM 1892 C C . ASP B 1 37 ? -15.783 22.488 -43.029 1.00 36.42 ? 52 ASP A C 1 ATOM 1893 O O . ASP B 1 37 ? -16.403 23.392 -43.587 1.00 35.93 ? 52 ASP A O 1 ATOM 1894 C CB . ASP B 1 37 ? -13.588 23.205 -42.208 1.00 43.91 ? 52 ASP A CB 1 ATOM 1895 C CG . ASP B 1 37 ? -12.781 23.909 -41.131 1.00 50.95 ? 52 ASP A CG 1 ATOM 1896 O OD1 . ASP B 1 37 ? -13.314 24.250 -40.047 1.00 54.80 ? 52 ASP A OD1 1 ATOM 1897 O OD2 . ASP B 1 37 ? -11.574 24.130 -41.393 1.00 60.92 ? 52 ASP A OD2 1 ATOM 1898 N N . ASN B 1 38 ? -15.723 21.260 -43.536 1.00 32.94 ? 53 ASN A N 1 ATOM 1899 C CA . ASN B 1 38 ? -16.408 20.941 -44.776 1.00 32.68 ? 53 ASN A CA 1 ATOM 1900 C C . ASN B 1 38 ? -16.531 19.432 -44.951 1.00 31.91 ? 53 ASN A C 1 ATOM 1901 O O . ASN B 1 38 ? -15.583 18.793 -45.391 1.00 29.62 ? 53 ASN A O 1 ATOM 1902 C CB . ASN B 1 38 ? -15.618 21.550 -45.930 1.00 34.28 ? 53 ASN A CB 1 ATOM 1903 C CG . ASN B 1 38 ? -16.374 21.546 -47.219 1.00 33.80 ? 53 ASN A CG 1 ATOM 1904 O OD1 . ASN B 1 38 ? -17.595 21.602 -47.252 1.00 37.06 ? 53 ASN A OD1 1 ATOM 1905 N ND2 . ASN B 1 38 ? -15.638 21.482 -48.300 1.00 37.62 ? 53 ASN A ND2 1 ATOM 1906 N N . ALA B 1 39 ? -17.697 18.882 -44.594 1.00 30.83 ? 54 ALA A N 1 ATOM 1907 C CA . ALA B 1 39 ? -17.855 17.453 -44.402 1.00 29.86 ? 54 ALA A CA 1 ATOM 1908 C C . ALA B 1 39 ? -18.961 16.870 -45.251 1.00 30.74 ? 54 ALA A C 1 ATOM 1909 O O . ALA B 1 39 ? -20.007 17.501 -45.447 1.00 28.63 ? 54 ALA A O 1 ATOM 1910 C CB . ALA B 1 39 ? -18.146 17.152 -42.941 1.00 30.32 ? 54 ALA A CB 1 ATOM 1911 N N . CYS B 1 40 ? -18.738 15.633 -45.701 1.00 28.83 ? 55 CYS A N 1 ATOM 1912 C CA . CYS B 1 40 ? -19.779 14.828 -46.352 1.00 28.73 ? 55 CYS A CA 1 ATOM 1913 C C . CYS B 1 40 ? -20.545 13.945 -45.368 1.00 27.41 ? 55 CYS A C 1 ATOM 1914 O O . CYS B 1 40 ? -21.439 13.207 -45.777 1.00 28.22 ? 55 CYS A O 1 ATOM 1915 C CB . CYS B 1 40 ? -19.166 13.972 -47.464 1.00 29.44 ? 55 CYS A CB 1 ATOM 1916 S SG . CYS B 1 40 ? -18.634 14.852 -48.943 1.00 30.95 ? 55 CYS A SG 1 ATOM 1917 N N . CYS B 1 41 ? -20.191 14.015 -44.083 1.00 27.21 ? 56 CYS A N 1 ATOM 1918 C CA . CYS B 1 41 ? -20.789 13.192 -43.035 1.00 28.12 ? 56 CYS A CA 1 ATOM 1919 C C . CYS B 1 41 ? -21.517 14.091 -42.035 1.00 30.54 ? 56 CYS A C 1 ATOM 1920 O O . CYS B 1 41 ? -21.076 15.199 -41.761 1.00 32.22 ? 56 CYS A O 1 ATOM 1921 C CB . CYS B 1 41 ? -19.739 12.363 -42.298 1.00 29.18 ? 56 CYS A CB 1 ATOM 1922 S SG . CYS B 1 41 ? -18.473 13.344 -41.475 1.00 28.39 ? 56 CYS A SG 1 ATOM 1923 N N . THR B 1 42 ? -22.649 13.605 -41.534 1.00 31.91 ? 57 THR A N 1 ATOM 1924 C CA . THR B 1 42 ? -23.408 14.266 -40.484 1.00 31.58 ? 57 THR A CA 1 ATOM 1925 C C . THR B 1 42 ? -22.856 13.842 -39.135 1.00 32.82 ? 57 THR A C 1 ATOM 1926 O O . THR B 1 42 ? -22.072 12.892 -39.025 1.00 27.91 ? 57 THR A O 1 ATOM 1927 C CB . THR B 1 42 ? -24.857 13.795 -40.472 1.00 31.35 ? 57 THR A CB 1 ATOM 1928 O OG1 . THR B 1 42 ? -24.861 12.393 -40.222 1.00 27.71 ? 57 THR A OG1 1 ATOM 1929 C CG2 . THR B 1 42 ? -25.551 14.087 -41.777 1.00 31.18 ? 57 THR A CG2 1 ATOM 1930 N N . LEU B 1 43 ? -23.322 14.525 -38.099 1.00 35.76 ? 58 LEU A N 1 ATOM 1931 C CA . LEU B 1 43 ? -22.924 14.197 -36.732 1.00 35.43 ? 58 LEU A CA 1 ATOM 1932 C C . LEU B 1 43 ? -23.282 12.751 -36.432 1.00 32.64 ? 58 LEU A C 1 ATOM 1933 O O . LEU B 1 43 ? -22.474 12.001 -35.879 1.00 33.47 ? 58 LEU A O 1 ATOM 1934 C CB . LEU B 1 43 ? -23.585 15.163 -35.743 1.00 38.40 ? 58 LEU A CB 1 ATOM 1935 C CG . LEU B 1 43 ? -23.445 14.895 -34.240 1.00 37.57 ? 58 LEU A CG 1 ATOM 1936 C CD1 . LEU B 1 43 ? -22.002 14.839 -33.758 1.00 37.25 ? 58 LEU A CD1 1 ATOM 1937 C CD2 . LEU B 1 43 ? -24.193 15.998 -33.509 1.00 39.00 ? 58 LEU A CD2 1 ATOM 1938 N N . THR B 1 44 ? -24.458 12.329 -36.864 1.00 32.51 ? 59 THR A N 1 ATOM 1939 C CA . THR B 1 44 ? -24.879 10.959 -36.628 1.00 33.77 ? 59 THR A CA 1 ATOM 1940 C C . THR B 1 44 ? -23.948 9.934 -37.251 1.00 33.91 ? 59 THR A C 1 ATOM 1941 O O . THR B 1 44 ? -23.556 8.959 -36.595 1.00 31.26 ? 59 THR A O 1 ATOM 1942 C CB . THR B 1 44 ? -26.288 10.713 -37.141 1.00 38.34 ? 59 THR A CB 1 ATOM 1943 O OG1 . THR B 1 44 ? -27.171 11.614 -36.469 1.00 39.76 ? 59 THR A OG1 1 ATOM 1944 C CG2 . THR B 1 44 ? -26.716 9.285 -36.848 1.00 38.46 ? 59 THR A CG2 1 ATOM 1945 N N . THR B 1 45 ? -23.596 10.137 -38.508 1.00 32.82 ? 60 THR A N 1 ATOM 1946 C CA . THR B 1 45 ? -22.677 9.215 -39.161 1.00 30.68 ? 60 THR A CA 1 ATOM 1947 C C . THR B 1 45 ? -21.361 9.183 -38.385 1.00 28.45 ? 60 THR A C 1 ATOM 1948 O O . THR B 1 45 ? -20.833 8.120 -38.144 1.00 26.13 ? 60 THR A O 1 ATOM 1949 C CB . THR B 1 45 ? -22.472 9.602 -40.641 1.00 30.74 ? 60 THR A CB 1 ATOM 1950 O OG1 . THR B 1 45 ? -23.712 9.470 -41.323 1.00 31.05 ? 60 THR A OG1 1 ATOM 1951 C CG2 . THR B 1 45 ? -21.422 8.747 -41.350 1.00 29.17 ? 60 THR A CG2 1 ATOM 1952 N N . SER B 1 46 ? -20.859 10.345 -37.980 1.00 30.12 ? 61 SER A N 1 ATOM 1953 C CA . SER B 1 46 ? -19.578 10.398 -37.284 1.00 31.93 ? 61 SER A CA 1 ATOM 1954 C C . SER B 1 46 ? -19.593 9.560 -36.001 1.00 34.05 ? 61 SER A C 1 ATOM 1955 O O . SER B 1 46 ? -18.642 8.838 -35.765 1.00 35.14 ? 61 SER A O 1 ATOM 1956 C CB . SER B 1 46 ? -19.118 11.837 -37.015 1.00 31.97 ? 61 SER A CB 1 ATOM 1957 O OG . SER B 1 46 ? -19.860 12.434 -35.982 1.00 31.70 ? 61 SER A OG 1 ATOM 1958 N N . TRP B 1 47 ? -20.659 9.597 -35.196 1.00 35.63 ? 62 TRP A N 1 ATOM 1959 C CA . TRP B 1 47 ? -20.639 8.738 -33.992 1.00 37.01 ? 62 TRP A CA 1 ATOM 1960 C C . TRP B 1 47 ? -20.897 7.280 -34.325 1.00 32.88 ? 62 TRP A C 1 ATOM 1961 O O . TRP B 1 47 ? -20.255 6.389 -33.752 1.00 31.58 ? 62 TRP A O 1 ATOM 1962 C CB . TRP B 1 47 ? -21.427 9.284 -32.779 1.00 41.58 ? 62 TRP A CB 1 ATOM 1963 C CG . TRP B 1 47 ? -22.861 9.335 -32.863 1.00 46.08 ? 62 TRP A CG 1 ATOM 1964 C CD1 . TRP B 1 47 ? -23.612 10.422 -33.187 1.00 53.70 ? 62 TRP A CD1 1 ATOM 1965 C CD2 . TRP B 1 47 ? -23.775 8.286 -32.547 1.00 50.83 ? 62 TRP A CD2 1 ATOM 1966 N NE1 . TRP B 1 47 ? -24.947 10.110 -33.131 1.00 58.30 ? 62 TRP A NE1 1 ATOM 1967 C CE2 . TRP B 1 47 ? -25.079 8.800 -32.743 1.00 60.42 ? 62 TRP A CE2 1 ATOM 1968 C CE3 . TRP B 1 47 ? -23.626 6.958 -32.136 1.00 51.94 ? 62 TRP A CE3 1 ATOM 1969 C CZ2 . TRP B 1 47 ? -26.234 8.023 -32.544 1.00 61.53 ? 62 TRP A CZ2 1 ATOM 1970 C CZ3 . TRP B 1 47 ? -24.770 6.184 -31.934 1.00 58.12 ? 62 TRP A CZ3 1 ATOM 1971 C CH2 . TRP B 1 47 ? -26.057 6.720 -32.142 1.00 60.39 ? 62 TRP A CH2 1 ATOM 1972 N N . GLU B 1 48 ? -21.723 7.019 -35.323 1.00 30.38 ? 63 GLU A N 1 ATOM 1973 C CA . GLU B 1 48 ? -21.910 5.645 -35.773 1.00 30.31 ? 63 GLU A CA 1 ATOM 1974 C C . GLU B 1 48 ? -20.630 5.008 -36.283 1.00 29.61 ? 63 GLU A C 1 ATOM 1975 O O . GLU B 1 48 ? -20.470 3.791 -36.195 1.00 30.54 ? 63 GLU A O 1 ATOM 1976 C CB . GLU B 1 48 ? -23.002 5.580 -36.837 1.00 33.66 ? 63 GLU A CB 1 ATOM 1977 C CG . GLU B 1 48 ? -24.368 5.803 -36.210 1.00 36.26 ? 63 GLU A CG 1 ATOM 1978 C CD . GLU B 1 48 ? -25.501 5.819 -37.214 1.00 40.88 ? 63 GLU A CD 1 ATOM 1979 O OE1 . GLU B 1 48 ? -25.247 5.928 -38.427 1.00 44.83 ? 63 GLU A OE1 1 ATOM 1980 O OE2 . GLU B 1 48 ? -26.654 5.730 -36.769 1.00 47.79 ? 63 GLU A OE2 1 ATOM 1981 N N . ALA B 1 49 ? -19.716 5.828 -36.807 1.00 28.44 ? 64 ALA A N 1 ATOM 1982 C CA . ALA B 1 49 ? -18.402 5.350 -37.242 1.00 25.79 ? 64 ALA A CA 1 ATOM 1983 C C . ALA B 1 49 ? -17.557 4.799 -36.121 1.00 27.26 ? 64 ALA A C 1 ATOM 1984 O O . ALA B 1 49 ? -16.655 3.982 -36.370 1.00 26.79 ? 64 ALA A O 1 ATOM 1985 C CB . ALA B 1 49 ? -17.627 6.477 -37.927 1.00 26.03 ? 64 ALA A CB 1 ATOM 1986 N N . HIS B 1 50 ? -17.794 5.294 -34.910 1.00 26.32 ? 65 HIS A N 1 ATOM 1987 C CA . HIS B 1 50 ? -17.057 4.875 -33.742 1.00 27.20 ? 65 HIS A CA 1 ATOM 1988 C C . HIS B 1 50 ? -17.694 3.756 -32.939 1.00 29.41 ? 65 HIS A C 1 ATOM 1989 O O . HIS B 1 50 ? -17.129 3.369 -31.943 1.00 29.89 ? 65 HIS A O 1 ATOM 1990 C CB . HIS B 1 50 ? -16.900 6.062 -32.823 1.00 28.04 ? 65 HIS A CB 1 ATOM 1991 C CG . HIS B 1 50 ? -16.020 7.134 -33.375 1.00 28.88 ? 65 HIS A CG 1 ATOM 1992 N ND1 . HIS B 1 50 ? -16.395 7.946 -34.424 1.00 29.07 ? 65 HIS A ND1 1 ATOM 1993 C CD2 . HIS B 1 50 ? -14.784 7.532 -33.011 1.00 32.57 ? 65 HIS A CD2 1 ATOM 1994 C CE1 . HIS B 1 50 ? -15.422 8.802 -34.680 1.00 31.82 ? 65 HIS A CE1 1 ATOM 1995 N NE2 . HIS B 1 50 ? -14.435 8.572 -33.834 1.00 32.53 ? 65 HIS A NE2 1 ATOM 1996 N N . LEU B 1 51 ? -18.875 3.265 -33.321 1.00 33.22 ? 66 LEU A N 1 ATOM 1997 C CA . LEU B 1 51 ? -19.513 2.190 -32.558 1.00 33.49 ? 66 LEU A CA 1 ATOM 1998 C C . LEU B 1 51 ? -18.678 0.918 -32.630 1.00 36.29 ? 66 LEU A C 1 ATOM 1999 O O . LEU B 1 51 ? -17.981 0.659 -33.621 1.00 37.11 ? 66 LEU A O 1 ATOM 2000 C CB . LEU B 1 51 ? -20.937 1.930 -33.025 1.00 35.05 ? 66 LEU A CB 1 ATOM 2001 C CG . LEU B 1 51 ? -21.918 2.978 -32.516 1.00 36.61 ? 66 LEU A CG 1 ATOM 2002 C CD1 . LEU B 1 51 ? -23.236 2.949 -33.275 1.00 38.37 ? 66 LEU A CD1 1 ATOM 2003 C CD2 . LEU B 1 51 ? -22.180 2.757 -31.033 1.00 37.23 ? 66 LEU A CD2 1 ATOM 2004 N N . ASP B 1 52 ? -18.727 0.128 -31.571 1.00 36.11 ? 67 ASP A N 1 ATOM 2005 C CA . ASP B 1 52 ? -17.903 -1.089 -31.519 1.00 38.79 ? 67 ASP A CA 1 ATOM 2006 C C . ASP B 1 52 ? -18.045 -1.937 -32.780 1.00 36.63 ? 67 ASP A C 1 ATOM 2007 O O . ASP B 1 52 ? -17.050 -2.432 -33.296 1.00 39.85 ? 67 ASP A O 1 ATOM 2008 C CB . ASP B 1 52 ? -18.209 -1.912 -30.260 1.00 42.06 ? 67 ASP A CB 1 ATOM 2009 C CG . ASP B 1 52 ? -19.662 -2.347 -30.167 1.00 42.12 ? 67 ASP A CG 1 ATOM 2010 O OD1 . ASP B 1 52 ? -20.557 -1.656 -30.708 1.00 43.57 ? 67 ASP A OD1 1 ATOM 2011 O OD2 . ASP B 1 52 ? -19.902 -3.401 -29.565 1.00 46.83 ? 67 ASP A OD2 1 ATOM 2012 N N . VAL B 1 53 ? -19.280 -2.096 -33.261 1.00 36.16 ? 68 VAL A N 1 ATOM 2013 C CA . VAL B 1 53 ? -19.549 -2.593 -34.606 1.00 38.87 ? 68 VAL A CA 1 ATOM 2014 C C . VAL B 1 53 ? -20.429 -1.539 -35.288 1.00 36.70 ? 68 VAL A C 1 ATOM 2015 O O . VAL B 1 53 ? -21.591 -1.356 -34.927 1.00 34.64 ? 68 VAL A O 1 ATOM 2016 C CB . VAL B 1 53 ? -20.233 -3.968 -34.600 1.00 39.55 ? 68 VAL A CB 1 ATOM 2017 C CG1 . VAL B 1 53 ? -20.532 -4.385 -36.021 1.00 38.32 ? 68 VAL A CG1 1 ATOM 2018 C CG2 . VAL B 1 53 ? -19.333 -5.004 -33.918 1.00 40.44 ? 68 VAL A CG2 1 ATOM 2019 N N . SER B 1 54 ? -19.852 -0.827 -36.250 1.00 36.53 ? 69 SER A N 1 ATOM 2020 C CA . SER B 1 54 ? -20.531 0.301 -36.865 1.00 35.87 ? 69 SER A CA 1 ATOM 2021 C C . SER B 1 54 ? -21.728 -0.185 -37.662 1.00 36.69 ? 69 SER A C 1 ATOM 2022 O O . SER B 1 54 ? -21.551 -1.030 -38.527 1.00 36.51 ? 69 SER A O 1 ATOM 2023 C CB . SER B 1 54 ? -19.599 1.080 -37.811 1.00 34.68 ? 69 SER A CB 1 ATOM 2024 O OG . SER B 1 54 ? -20.296 2.205 -38.385 1.00 33.07 ? 69 SER A OG 1 ATOM 2025 N N . PRO B 1 55 ? -22.931 0.378 -37.411 1.00 38.70 ? 70 PRO A N 1 ATOM 2026 C CA . PRO B 1 55 ? -24.092 0.044 -38.241 1.00 40.61 ? 70 PRO A CA 1 ATOM 2027 C C . PRO B 1 55 ? -24.023 0.642 -39.654 1.00 39.55 ? 70 PRO A C 1 ATOM 2028 O O . PRO B 1 55 ? -24.894 0.375 -40.478 1.00 39.85 ? 70 PRO A O 1 ATOM 2029 C CB . PRO B 1 55 ? -25.277 0.635 -37.451 1.00 41.39 ? 70 PRO A CB 1 ATOM 2030 C CG . PRO B 1 55 ? -24.705 1.751 -36.646 1.00 40.35 ? 70 PRO A CG 1 ATOM 2031 C CD . PRO B 1 55 ? -23.228 1.486 -36.483 1.00 40.86 ? 70 PRO A CD 1 ATOM 2032 N N . LEU B 1 56 ? -23.004 1.447 -39.929 1.00 36.71 ? 71 LEU A N 1 ATOM 2033 C CA . LEU B 1 56 ? -22.810 1.972 -41.263 1.00 40.08 ? 71 LEU A CA 1 ATOM 2034 C C . LEU B 1 56 ? -22.606 0.836 -42.275 1.00 41.26 ? 71 LEU A C 1 ATOM 2035 O O . LEU B 1 56 ? -23.103 0.924 -43.391 1.00 40.36 ? 71 LEU A O 1 ATOM 2036 C CB . LEU B 1 56 ? -21.633 2.959 -41.307 1.00 36.91 ? 71 LEU A CB 1 ATOM 2037 C CG . LEU B 1 56 ? -21.790 4.191 -40.407 1.00 36.11 ? 71 LEU A CG 1 ATOM 2038 C CD1 . LEU B 1 56 ? -20.514 5.000 -40.437 1.00 37.34 ? 71 LEU A CD1 1 ATOM 2039 C CD2 . LEU B 1 56 ? -22.972 5.074 -40.799 1.00 39.14 ? 71 LEU A CD2 1 ATOM 2040 N N . TYR B 1 57 ? -21.859 -0.198 -41.904 1.00 41.90 ? 72 TYR A N 1 ATOM 2041 C CA . TYR B 1 57 ? -21.651 -1.349 -42.793 1.00 42.54 ? 72 TYR A CA 1 ATOM 2042 C C . TYR B 1 57 ? -21.955 -2.708 -42.143 1.00 39.83 ? 72 TYR A C 1 ATOM 2043 O O . TYR B 1 57 ? -21.872 -3.715 -42.822 1.00 37.07 ? 72 TYR A O 1 ATOM 2044 C CB . TYR B 1 57 ? -20.230 -1.336 -43.395 1.00 39.85 ? 72 TYR A CB 1 ATOM 2045 C CG . TYR B 1 57 ? -19.651 0.058 -43.610 1.00 41.36 ? 72 TYR A CG 1 ATOM 2046 C CD1 . TYR B 1 57 ? -20.159 0.912 -44.597 1.00 40.53 ? 72 TYR A CD1 1 ATOM 2047 C CD2 . TYR B 1 57 ? -18.597 0.537 -42.804 1.00 40.11 ? 72 TYR A CD2 1 ATOM 2048 C CE1 . TYR B 1 57 ? -19.647 2.202 -44.774 1.00 38.04 ? 72 TYR A CE1 1 ATOM 2049 C CE2 . TYR B 1 57 ? -18.086 1.827 -42.973 1.00 36.70 ? 72 TYR A CE2 1 ATOM 2050 C CZ . TYR B 1 57 ? -18.604 2.653 -43.960 1.00 38.38 ? 72 TYR A CZ 1 ATOM 2051 O OH . TYR B 1 57 ? -18.078 3.922 -44.135 1.00 36.50 ? 72 TYR A OH 1 ATOM 2052 N N . ASN B 1 58 ? -22.318 -2.729 -40.859 1.00 39.72 ? 73 ASN A N 1 ATOM 2053 C CA . ASN B 1 58 ? -22.514 -3.974 -40.082 1.00 43.24 ? 73 ASN A CA 1 ATOM 2054 C C . ASN B 1 58 ? -21.331 -4.958 -40.165 1.00 42.62 ? 73 ASN A C 1 ATOM 2055 O O . ASN B 1 58 ? -21.530 -6.181 -40.140 1.00 42.83 ? 73 ASN A O 1 ATOM 2056 C CB . ASN B 1 58 ? -23.819 -4.684 -40.494 1.00 45.01 ? 73 ASN A CB 1 ATOM 2057 C CG . ASN B 1 58 ? -25.069 -3.873 -40.176 1.00 48.20 ? 73 ASN A CG 1 ATOM 2058 O OD1 . ASN B 1 58 ? -25.142 -3.195 -39.155 1.00 48.21 ? 73 ASN A OD1 1 ATOM 2059 N ND2 . ASN B 1 58 ? -26.073 -3.966 -41.041 1.00 52.73 ? 73 ASN A ND2 1 ATOM 2060 N N . PHE B 1 59 ? -20.114 -4.413 -40.279 1.00 40.81 ? 74 PHE A N 1 ATOM 2061 C CA . PHE B 1 59 ? -18.899 -5.203 -40.405 1.00 39.73 ? 74 PHE A CA 1 ATOM 2062 C C . PHE B 1 59 ? -18.057 -5.108 -39.134 1.00 39.72 ? 74 PHE A C 1 ATOM 2063 O O . PHE B 1 59 ? -17.597 -4.026 -38.770 1.00 39.42 ? 74 PHE A O 1 ATOM 2064 C CB . PHE B 1 59 ? -18.053 -4.721 -41.593 1.00 39.46 ? 74 PHE A CB 1 ATOM 2065 C CG . PHE B 1 59 ? -16.817 -5.525 -41.790 1.00 38.69 ? 74 PHE A CG 1 ATOM 2066 C CD1 . PHE B 1 59 ? -16.862 -6.699 -42.515 1.00 40.56 ? 74 PHE A CD1 1 ATOM 2067 C CD2 . PHE B 1 59 ? -15.614 -5.139 -41.214 1.00 38.78 ? 74 PHE A CD2 1 ATOM 2068 C CE1 . PHE B 1 59 ? -15.725 -7.477 -42.679 1.00 40.29 ? 74 PHE A CE1 1 ATOM 2069 C CE2 . PHE B 1 59 ? -14.473 -5.914 -41.363 1.00 39.36 ? 74 PHE A CE2 1 ATOM 2070 C CZ . PHE B 1 59 ? -14.528 -7.083 -42.103 1.00 40.45 ? 74 PHE A CZ 1 ATOM 2071 N N . SER B 1 60 ? -17.785 -6.241 -38.495 1.00 34.43 ? 75 SER A N 1 ATOM 2072 C CA . SER B 1 60 ? -17.065 -6.212 -37.249 1.00 31.73 ? 75 SER A CA 1 ATOM 2073 C C . SER B 1 60 ? -15.586 -6.385 -37.486 1.00 30.50 ? 75 SER A C 1 ATOM 2074 O O . SER B 1 60 ? -15.158 -7.387 -38.055 1.00 31.74 ? 75 SER A O 1 ATOM 2075 C CB . SER B 1 60 ? -17.535 -7.307 -36.286 1.00 33.09 ? 75 SER A CB 1 ATOM 2076 O OG . SER B 1 60 ? -16.735 -7.222 -35.115 1.00 34.54 ? 75 SER A OG 1 ATOM 2077 N N . LEU B 1 61 ? -14.819 -5.425 -36.986 1.00 31.12 ? 76 LEU A N 1 ATOM 2078 C CA . LEU B 1 61 ? -13.352 -5.511 -36.944 1.00 31.27 ? 76 LEU A CA 1 ATOM 2079 C C . LEU B 1 61 ? -12.838 -6.438 -35.833 1.00 31.15 ? 76 LEU A C 1 ATOM 2080 O O . LEU B 1 61 ? -11.662 -6.773 -35.831 1.00 31.36 ? 76 LEU A O 1 ATOM 2081 C CB . LEU B 1 61 ? -12.780 -4.109 -36.715 1.00 34.02 ? 76 LEU A CB 1 ATOM 2082 C CG . LEU B 1 61 ? -13.168 -3.037 -37.745 1.00 36.10 ? 76 LEU A CG 1 ATOM 2083 C CD1 . LEU B 1 61 ? -12.901 -1.619 -37.224 1.00 36.45 ? 76 LEU A CD1 1 ATOM 2084 C CD2 . LEU B 1 61 ? -12.404 -3.311 -39.030 1.00 36.91 ? 76 LEU A CD2 1 ATOM 2085 N N . PHE B 1 62 ? -13.705 -6.834 -34.893 1.00 34.46 ? 77 PHE A N 1 ATOM 2086 C CA . PHE B 1 62 ? -13.341 -7.728 -33.775 1.00 34.18 ? 77 PHE A CA 1 ATOM 2087 C C . PHE B 1 62 ? -13.595 -9.202 -34.049 1.00 36.24 ? 77 PHE A C 1 ATOM 2088 O O . PHE B 1 62 ? -13.584 -10.012 -33.109 1.00 35.64 ? 77 PHE A O 1 ATOM 2089 C CB . PHE B 1 62 ? -14.123 -7.342 -32.508 1.00 34.01 ? 77 PHE A CB 1 ATOM 2090 C CG . PHE B 1 62 ? -13.747 -6.015 -31.947 1.00 31.65 ? 77 PHE A CG 1 ATOM 2091 C CD1 . PHE B 1 62 ? -12.540 -5.849 -31.246 1.00 31.38 ? 77 PHE A CD1 1 ATOM 2092 C CD2 . PHE B 1 62 ? -14.582 -4.932 -32.111 1.00 31.06 ? 77 PHE A CD2 1 ATOM 2093 C CE1 . PHE B 1 62 ? -12.203 -4.620 -30.709 1.00 30.51 ? 77 PHE A CE1 1 ATOM 2094 C CE2 . PHE B 1 62 ? -14.245 -3.697 -31.590 1.00 31.11 ? 77 PHE A CE2 1 ATOM 2095 C CZ . PHE B 1 62 ? -13.054 -3.540 -30.888 1.00 29.49 ? 77 PHE A CZ 1 ATOM 2096 N N . HIS B 1 63 ? -13.807 -9.557 -35.315 1.00 34.45 ? 78 HIS A N 1 ATOM 2097 C CA . HIS B 1 63 ? -14.040 -10.956 -35.733 1.00 33.68 ? 78 HIS A CA 1 ATOM 2098 C C . HIS B 1 63 ? -13.038 -11.998 -35.185 1.00 34.94 ? 78 HIS A C 1 ATOM 2099 O O . HIS B 1 63 ? -13.392 -13.167 -35.043 1.00 34.43 ? 78 HIS A O 1 ATOM 2100 C CB . HIS B 1 63 ? -14.134 -11.046 -37.271 1.00 32.52 ? 78 HIS A CB 1 ATOM 2101 C CG . HIS B 1 63 ? -12.993 -10.383 -37.996 1.00 31.76 ? 78 HIS A CG 1 ATOM 2102 N ND1 . HIS B 1 63 ? -13.074 -9.093 -38.482 1.00 31.46 ? 78 HIS A ND1 1 ATOM 2103 C CD2 . HIS B 1 63 ? -11.745 -10.821 -38.299 1.00 32.06 ? 78 HIS A CD2 1 ATOM 2104 C CE1 . HIS B 1 63 ? -11.929 -8.771 -39.063 1.00 32.78 ? 78 HIS A CE1 1 ATOM 2105 N NE2 . HIS B 1 63 ? -11.103 -9.800 -38.967 1.00 31.32 ? 78 HIS A NE2 1 ATOM 2106 N N . CYS B 1 64 ? -11.807 -11.581 -34.885 1.00 35.28 ? 79 CYS A N 1 ATOM 2107 C CA . CYS B 1 64 ? -10.822 -12.437 -34.203 1.00 35.82 ? 79 CYS A CA 1 ATOM 2108 C C . CYS B 1 64 ? -10.518 -12.028 -32.734 1.00 37.65 ? 79 CYS A C 1 ATOM 2109 O O . CYS B 1 64 ? -9.532 -12.486 -32.151 1.00 39.27 ? 79 CYS A O 1 ATOM 2110 C CB . CYS B 1 64 ? -9.519 -12.494 -35.010 1.00 38.57 ? 79 CYS A CB 1 ATOM 2111 S SG . CYS B 1 64 ? -9.550 -13.582 -36.460 1.00 37.41 ? 79 CYS A SG 1 ATOM 2112 N N . GLY B 1 65 ? -11.324 -11.157 -32.136 1.00 37.78 ? 80 GLY A N 1 ATOM 2113 C CA . GLY B 1 65 ? -11.206 -10.851 -30.699 1.00 37.35 ? 80 GLY A CA 1 ATOM 2114 C C . GLY B 1 65 ? -10.095 -9.894 -30.325 1.00 36.39 ? 80 GLY A C 1 ATOM 2115 O O . GLY B 1 65 ? -10.325 -8.947 -29.583 1.00 38.24 ? 80 GLY A O 1 ATOM 2116 N N . LEU B 1 66 ? -8.895 -10.134 -30.842 1.00 36.14 ? 81 LEU A N 1 ATOM 2117 C CA . LEU B 1 66 ? -7.719 -9.364 -30.467 1.00 36.65 ? 81 LEU A CA 1 ATOM 2118 C C . LEU B 1 66 ? -7.462 -8.253 -31.495 1.00 36.23 ? 81 LEU A C 1 ATOM 2119 O O . LEU B 1 66 ? -6.895 -8.481 -32.556 1.00 34.70 ? 81 LEU A O 1 ATOM 2120 C CB . LEU B 1 66 ? -6.516 -10.298 -30.358 1.00 37.10 ? 81 LEU A CB 1 ATOM 2121 C CG . LEU B 1 66 ? -5.338 -9.867 -29.475 1.00 40.90 ? 81 LEU A CG 1 ATOM 2122 C CD1 . LEU B 1 66 ? -5.056 -8.369 -29.486 1.00 40.96 ? 81 LEU A CD1 1 ATOM 2123 C CD2 . LEU B 1 66 ? -5.552 -10.348 -28.043 1.00 43.28 ? 81 LEU A CD2 1 ATOM 2124 N N . LEU B 1 67 ? -7.907 -7.052 -31.177 1.00 33.99 ? 82 LEU A N 1 ATOM 2125 C CA . LEU B 1 67 ? -7.722 -5.906 -32.051 1.00 33.27 ? 82 LEU A CA 1 ATOM 2126 C C . LEU B 1 67 ? -7.273 -4.816 -31.133 1.00 32.56 ? 82 LEU A C 1 ATOM 2127 O O . LEU B 1 67 ? -8.030 -4.404 -30.258 1.00 34.74 ? 82 LEU A O 1 ATOM 2128 C CB . LEU B 1 67 ? -9.031 -5.536 -32.750 1.00 34.49 ? 82 LEU A CB 1 ATOM 2129 C CG . LEU B 1 67 ? -9.018 -4.295 -33.658 1.00 34.88 ? 82 LEU A CG 1 ATOM 2130 C CD1 . LEU B 1 67 ? -8.315 -4.596 -34.961 1.00 34.73 ? 82 LEU A CD1 1 ATOM 2131 C CD2 . LEU B 1 67 ? -10.429 -3.823 -33.930 1.00 34.53 ? 82 LEU A CD2 1 ATOM 2132 N N . MET B 1 68 ? -6.040 -4.370 -31.304 1.00 32.70 ? 83 MET A N 1 ATOM 2133 C CA . MET B 1 68 ? -5.472 -3.382 -30.414 1.00 32.77 ? 83 MET A CA 1 ATOM 2134 C C . MET B 1 68 ? -6.100 -2.007 -30.675 1.00 31.31 ? 83 MET A C 1 ATOM 2135 O O . MET B 1 68 ? -6.416 -1.684 -31.807 1.00 30.20 ? 83 MET A O 1 ATOM 2136 C CB . MET B 1 68 ? -3.965 -3.275 -30.612 1.00 34.79 ? 83 MET A CB 1 ATOM 2137 C CG . MET B 1 68 ? -3.185 -4.553 -30.311 1.00 39.75 ? 83 MET A CG 1 ATOM 2138 S SD . MET B 1 68 ? -3.189 -4.966 -28.555 1.00 45.93 ? 83 MET A SD 1 ATOM 2139 C CE . MET B 1 68 ? -2.227 -3.592 -27.900 1.00 50.53 ? 83 MET A CE 1 ATOM 2140 N N . PRO B 1 69 ? -6.267 -1.202 -29.621 1.00 30.29 ? 84 PRO A N 1 ATOM 2141 C CA . PRO B 1 69 ? -6.802 0.143 -29.772 1.00 31.92 ? 84 PRO A CA 1 ATOM 2142 C C . PRO B 1 69 ? -6.119 0.998 -30.831 1.00 31.98 ? 84 PRO A C 1 ATOM 2143 O O . PRO B 1 69 ? -6.815 1.682 -31.564 1.00 30.39 ? 84 PRO A O 1 ATOM 2144 C CB . PRO B 1 69 ? -6.597 0.742 -28.391 1.00 33.17 ? 84 PRO A CB 1 ATOM 2145 C CG . PRO B 1 69 ? -6.809 -0.416 -27.483 1.00 33.21 ? 84 PRO A CG 1 ATOM 2146 C CD . PRO B 1 69 ? -6.171 -1.585 -28.195 1.00 31.50 ? 84 PRO A CD 1 ATOM 2147 N N . GLY B 1 70 ? -4.787 0.943 -30.926 1.00 31.25 ? 85 GLY A N 1 ATOM 2148 C CA . GLY B 1 70 ? -4.068 1.695 -31.948 1.00 30.38 ? 85 GLY A CA 1 ATOM 2149 C C . GLY B 1 70 ? -4.403 1.268 -33.371 1.00 29.54 ? 85 GLY A C 1 ATOM 2150 O O . GLY B 1 70 ? -4.379 2.085 -34.288 1.00 32.47 ? 85 GLY A O 1 ATOM 2151 N N . CYS B 1 71 ? -4.737 -0.008 -33.545 1.00 26.58 ? 86 CYS A N 1 ATOM 2152 C CA . CYS B 1 71 ? -5.161 -0.531 -34.818 1.00 27.38 ? 86 CYS A CA 1 ATOM 2153 C C . CYS B 1 71 ? -6.603 -0.096 -35.123 1.00 28.33 ? 86 CYS A C 1 ATOM 2154 O O . CYS B 1 71 ? -6.886 0.430 -36.202 1.00 28.23 ? 86 CYS A O 1 ATOM 2155 C CB . CYS B 1 71 ? -5.036 -2.057 -34.805 1.00 29.61 ? 86 CYS A CB 1 ATOM 2156 S SG . CYS B 1 71 ? -5.477 -2.886 -36.332 1.00 30.31 ? 86 CYS A SG 1 ATOM 2157 N N . ARG B 1 72 ? -7.502 -0.280 -34.169 1.00 27.19 ? 87 ARG A N 1 ATOM 2158 C CA . ARG B 1 72 ? -8.876 0.087 -34.391 1.00 26.70 ? 87 ARG A CA 1 ATOM 2159 C C . ARG B 1 72 ? -8.973 1.569 -34.694 1.00 26.57 ? 87 ARG A C 1 ATOM 2160 O O . ARG B 1 72 ? -9.704 1.954 -35.563 1.00 27.07 ? 87 ARG A O 1 ATOM 2161 C CB . ARG B 1 72 ? -9.768 -0.240 -33.215 1.00 29.85 ? 87 ARG A CB 1 ATOM 2162 C CG . ARG B 1 72 ? -11.228 0.003 -33.559 1.00 30.93 ? 87 ARG A CG 1 ATOM 2163 C CD . ARG B 1 72 ? -12.190 -0.757 -32.651 1.00 34.56 ? 87 ARG A CD 1 ATOM 2164 N NE . ARG B 1 72 ? -12.291 -0.056 -31.407 1.00 36.53 ? 87 ARG A NE 1 ATOM 2165 C CZ . ARG B 1 72 ? -13.320 0.651 -30.964 1.00 34.53 ? 87 ARG A CZ 1 ATOM 2166 N NH1 . ARG B 1 72 ? -14.471 0.736 -31.615 1.00 37.03 ? 87 ARG A NH1 1 ATOM 2167 N NH2 . ARG B 1 72 ? -13.182 1.246 -29.793 1.00 34.83 ? 87 ARG A NH2 1 ATOM 2168 N N . LYS B 1 73 ? -8.216 2.395 -33.993 1.00 26.39 ? 88 LYS A N 1 ATOM 2169 C CA . LYS B 1 73 ? -8.173 3.808 -34.306 1.00 26.97 ? 88 LYS A CA 1 ATOM 2170 C C . LYS B 1 73 ? -7.964 4.151 -35.801 1.00 25.21 ? 88 LYS A C 1 ATOM 2171 O O . LYS B 1 73 ? -8.638 5.028 -36.320 1.00 23.89 ? 88 LYS A O 1 ATOM 2172 C CB . LYS B 1 73 ? -7.111 4.509 -33.483 1.00 30.40 ? 88 LYS A CB 1 ATOM 2173 C CG . LYS B 1 73 ? -7.254 6.005 -33.616 1.00 34.42 ? 88 LYS A CG 1 ATOM 2174 C CD . LYS B 1 73 ? -6.736 6.739 -32.405 1.00 41.37 ? 88 LYS A CD 1 ATOM 2175 C CE . LYS B 1 73 ? -5.466 7.501 -32.705 1.00 44.93 ? 88 LYS A CE 1 ATOM 2176 N NZ . LYS B 1 73 ? -5.608 8.851 -32.100 1.00 53.64 ? 88 LYS A NZ 1 ATOM 2177 N N . HIS B 1 74 ? -7.005 3.492 -36.455 1.00 25.50 ? 89 HIS A N 1 ATOM 2178 C CA . HIS B 1 74 ? -6.778 3.655 -37.907 1.00 26.42 ? 89 HIS A CA 1 ATOM 2179 C C . HIS B 1 74 ? -8.012 3.289 -38.745 1.00 24.67 ? 89 HIS A C 1 ATOM 2180 O O . HIS B 1 74 ? -8.367 3.985 -39.695 1.00 21.50 ? 89 HIS A O 1 ATOM 2181 C CB . HIS B 1 74 ? -5.608 2.784 -38.391 1.00 26.32 ? 89 HIS A CB 1 ATOM 2182 C CG . HIS B 1 74 ? -4.266 3.320 -38.037 1.00 27.90 ? 89 HIS A CG 1 ATOM 2183 N ND1 . HIS B 1 74 ? -3.678 4.342 -38.737 1.00 28.76 ? 89 HIS A ND1 1 ATOM 2184 C CD2 . HIS B 1 74 ? -3.389 2.983 -37.065 1.00 28.59 ? 89 HIS A CD2 1 ATOM 2185 C CE1 . HIS B 1 74 ? -2.503 4.629 -38.213 1.00 30.94 ? 89 HIS A CE1 1 ATOM 2186 N NE2 . HIS B 1 74 ? -2.301 3.814 -37.194 1.00 29.64 ? 89 HIS A NE2 1 ATOM 2187 N N . PHE B 1 75 ? -8.635 2.171 -38.410 1.00 25.91 ? 90 PHE A N 1 ATOM 2188 C CA . PHE B 1 75 ? -9.862 1.750 -39.107 1.00 24.71 ? 90 PHE A CA 1 ATOM 2189 C C . PHE B 1 75 ? -10.992 2.763 -38.948 1.00 26.05 ? 90 PHE A C 1 ATOM 2190 O O . PHE B 1 75 ? -11.706 3.032 -39.909 1.00 26.73 ? 90 PHE A O 1 ATOM 2191 C CB . PHE B 1 75 ? -10.318 0.352 -38.668 1.00 25.14 ? 90 PHE A CB 1 ATOM 2192 C CG . PHE B 1 75 ? -9.524 -0.763 -39.293 1.00 23.44 ? 90 PHE A CG 1 ATOM 2193 C CD1 . PHE B 1 75 ? -9.741 -1.120 -40.613 1.00 23.74 ? 90 PHE A CD1 1 ATOM 2194 C CD2 . PHE B 1 75 ? -8.520 -1.406 -38.592 1.00 24.95 ? 90 PHE A CD2 1 ATOM 2195 C CE1 . PHE B 1 75 ? -9.010 -2.113 -41.217 1.00 24.45 ? 90 PHE A CE1 1 ATOM 2196 C CE2 . PHE B 1 75 ? -7.794 -2.422 -39.186 1.00 23.47 ? 90 PHE A CE2 1 ATOM 2197 C CZ . PHE B 1 75 ? -8.026 -2.764 -40.500 1.00 24.49 ? 90 PHE A CZ 1 ATOM 2198 N N . ILE B 1 76 ? -11.148 3.330 -37.753 1.00 25.89 ? 91 ILE A N 1 ATOM 2199 C CA . ILE B 1 76 ? -12.168 4.361 -37.528 1.00 25.48 ? 91 ILE A CA 1 ATOM 2200 C C . ILE B 1 76 ? -11.851 5.619 -38.349 1.00 24.41 ? 91 ILE A C 1 ATOM 2201 O O . ILE B 1 76 ? -12.755 6.233 -38.947 1.00 24.97 ? 91 ILE A O 1 ATOM 2202 C CB . ILE B 1 76 ? -12.311 4.749 -36.031 1.00 25.97 ? 91 ILE A CB 1 ATOM 2203 C CG1 . ILE B 1 76 ? -12.806 3.543 -35.221 1.00 26.04 ? 91 ILE A CG1 1 ATOM 2204 C CG2 . ILE B 1 76 ? -13.262 5.944 -35.871 1.00 24.33 ? 91 ILE A CG2 1 ATOM 2205 C CD1 . ILE B 1 76 ? -12.862 3.769 -33.717 1.00 26.38 ? 91 ILE A CD1 1 ATOM 2206 N N . GLN B 1 77 ? -10.584 6.004 -38.369 1.00 23.04 ? 92 GLN A N 1 ATOM 2207 C CA . GLN B 1 77 ? -10.175 7.159 -39.159 1.00 23.65 ? 92 GLN A CA 1 ATOM 2208 C C . GLN B 1 77 ? -10.470 6.937 -40.641 1.00 24.36 ? 92 GLN A C 1 ATOM 2209 O O . GLN B 1 77 ? -10.999 7.837 -41.292 1.00 25.03 ? 92 GLN A O 1 ATOM 2210 C CB . GLN B 1 77 ? -8.716 7.483 -38.935 1.00 23.23 ? 92 GLN A CB 1 ATOM 2211 C CG . GLN B 1 77 ? -8.451 7.982 -37.535 1.00 24.40 ? 92 GLN A CG 1 ATOM 2212 C CD . GLN B 1 77 ? -6.988 8.203 -37.271 1.00 27.67 ? 92 GLN A CD 1 ATOM 2213 O OE1 . GLN B 1 77 ? -6.122 7.651 -37.967 1.00 28.24 ? 92 GLN A OE1 1 ATOM 2214 N NE2 . GLN B 1 77 ? -6.693 9.000 -36.243 1.00 30.16 ? 92 GLN A NE2 1 ATOM 2215 N N . ALA B 1 78 ? -10.209 5.720 -41.140 1.00 22.48 ? 93 ALA A N 1 ATOM 2216 C CA . ALA B 1 78 ? -10.566 5.359 -42.516 1.00 22.97 ? 93 ALA A CA 1 ATOM 2217 C C . ALA B 1 78 ? -12.054 5.517 -42.805 1.00 22.66 ? 93 ALA A C 1 ATOM 2218 O O . ALA B 1 78 ? -12.445 5.973 -43.890 1.00 21.98 ? 93 ALA A O 1 ATOM 2219 C CB . ALA B 1 78 ? -10.120 3.945 -42.830 1.00 23.91 ? 93 ALA A CB 1 ATOM 2220 N N . ILE B 1 79 ? -12.890 5.155 -41.846 1.00 23.59 ? 94 ILE A N 1 ATOM 2221 C CA . ILE B 1 79 ? -14.334 5.360 -41.996 1.00 21.89 ? 94 ILE A CA 1 ATOM 2222 C C . ILE B 1 79 ? -14.656 6.842 -42.084 1.00 22.72 ? 94 ILE A C 1 ATOM 2223 O O . ILE B 1 79 ? -15.393 7.263 -42.987 1.00 25.30 ? 94 ILE A O 1 ATOM 2224 C CB . ILE B 1 79 ? -15.160 4.684 -40.888 1.00 22.93 ? 94 ILE A CB 1 ATOM 2225 C CG1 . ILE B 1 79 ? -14.994 3.165 -40.915 1.00 23.17 ? 94 ILE A CG1 1 ATOM 2226 C CG2 . ILE B 1 79 ? -16.651 5.002 -41.044 1.00 22.73 ? 94 ILE A CG2 1 ATOM 2227 C CD1 . ILE B 1 79 ? -15.469 2.466 -39.656 1.00 24.10 ? 94 ILE A CD1 1 ATOM 2228 N N . CYS B 1 80 ? -14.119 7.652 -41.172 1.00 22.48 ? 95 CYS A N 1 ATOM 2229 C CA . CYS B 1 80 ? -14.354 9.091 -41.224 1.00 22.49 ? 95 CYS A CA 1 ATOM 2230 C C . CYS B 1 80 ? -13.930 9.660 -42.587 1.00 21.47 ? 95 CYS A C 1 ATOM 2231 O O . CYS B 1 80 ? -14.617 10.484 -43.172 1.00 18.37 ? 95 CYS A O 1 ATOM 2232 C CB . CYS B 1 80 ? -13.562 9.818 -40.131 1.00 24.42 ? 95 CYS A CB 1 ATOM 2233 S SG . CYS B 1 80 ? -14.094 9.534 -38.431 1.00 28.28 ? 95 CYS A SG 1 ATOM 2234 N N . PHE B 1 81 ? -12.735 9.266 -43.045 1.00 20.07 ? 96 PHE A N 1 ATOM 2235 C CA . PHE B 1 81 ? -12.215 9.735 -44.337 1.00 20.84 ? 96 PHE A CA 1 ATOM 2236 C C . PHE B 1 81 ? -13.207 9.422 -45.457 1.00 23.71 ? 96 PHE A C 1 ATOM 2237 O O . PHE B 1 81 ? -13.646 10.316 -46.226 1.00 23.79 ? 96 PHE A O 1 ATOM 2238 C CB . PHE B 1 81 ? -10.868 9.054 -44.581 1.00 21.57 ? 96 PHE A CB 1 ATOM 2239 C CG . PHE B 1 81 ? -10.232 9.393 -45.885 1.00 20.96 ? 96 PHE A CG 1 ATOM 2240 C CD1 . PHE B 1 81 ? -9.946 10.689 -46.209 1.00 21.24 ? 96 PHE A CD1 1 ATOM 2241 C CD2 . PHE B 1 81 ? -9.873 8.382 -46.773 1.00 22.70 ? 96 PHE A CD2 1 ATOM 2242 C CE1 . PHE B 1 81 ? -9.312 11.002 -47.411 1.00 22.74 ? 96 PHE A CE1 1 ATOM 2243 C CE2 . PHE B 1 81 ? -9.271 8.685 -47.984 1.00 22.55 ? 96 PHE A CE2 1 ATOM 2244 C CZ . PHE B 1 81 ? -8.988 10.008 -48.298 1.00 22.39 ? 96 PHE A CZ 1 ATOM 2245 N N . TYR B 1 82 ? -13.631 8.162 -45.486 1.00 23.79 ? 97 TYR A N 1 ATOM 2246 C CA . TYR B 1 82 ? -14.563 7.683 -46.515 1.00 23.90 ? 97 TYR A CA 1 ATOM 2247 C C . TYR B 1 82 ? -15.912 8.398 -46.478 1.00 23.52 ? 97 TYR A C 1 ATOM 2248 O O . TYR B 1 82 ? -16.428 8.811 -47.521 1.00 22.70 ? 97 TYR A O 1 ATOM 2249 C CB . TYR B 1 82 ? -14.828 6.202 -46.328 1.00 25.41 ? 97 TYR A CB 1 ATOM 2250 C CG . TYR B 1 82 ? -15.582 5.564 -47.456 1.00 27.51 ? 97 TYR A CG 1 ATOM 2251 C CD1 . TYR B 1 82 ? -16.973 5.355 -47.397 1.00 29.71 ? 97 TYR A CD1 1 ATOM 2252 C CD2 . TYR B 1 82 ? -14.891 5.158 -48.600 1.00 29.65 ? 97 TYR A CD2 1 ATOM 2253 C CE1 . TYR B 1 82 ? -17.645 4.756 -48.477 1.00 31.59 ? 97 TYR A CE1 1 ATOM 2254 C CE2 . TYR B 1 82 ? -15.534 4.592 -49.667 1.00 30.97 ? 97 TYR A CE2 1 ATOM 2255 C CZ . TYR B 1 82 ? -16.895 4.381 -49.611 1.00 32.97 ? 97 TYR A CZ 1 ATOM 2256 O OH . TYR B 1 82 ? -17.420 3.773 -50.715 1.00 37.93 ? 97 TYR A OH 1 ATOM 2257 N N . GLU B 1 83 ? -16.473 8.526 -45.285 1.00 22.32 ? 98 GLU A N 1 ATOM 2258 C CA . GLU B 1 83 ? -17.796 9.131 -45.114 1.00 23.53 ? 98 GLU A CA 1 ATOM 2259 C C . GLU B 1 83 ? -17.786 10.652 -45.145 1.00 23.70 ? 98 GLU A C 1 ATOM 2260 O O . GLU B 1 83 ? -18.830 11.266 -45.460 1.00 21.90 ? 98 GLU A O 1 ATOM 2261 C CB . GLU B 1 83 ? -18.430 8.673 -43.794 1.00 23.32 ? 98 GLU A CB 1 ATOM 2262 C CG . GLU B 1 83 ? -18.672 7.178 -43.720 1.00 25.63 ? 98 GLU A CG 1 ATOM 2263 C CD . GLU B 1 83 ? -19.737 6.664 -44.698 1.00 26.56 ? 98 GLU A CD 1 ATOM 2264 O OE1 . GLU B 1 83 ? -20.541 7.458 -45.214 1.00 26.79 ? 98 GLU A OE1 1 ATOM 2265 O OE2 . GLU B 1 83 ? -19.764 5.444 -44.956 1.00 27.45 ? 98 GLU A OE2 1 ATOM 2266 N N . CYS B 1 84 ? -16.658 11.254 -44.771 1.00 21.90 ? 99 CYS A N 1 ATOM 2267 C CA . CYS B 1 84 ? -16.587 12.711 -44.537 1.00 24.27 ? 99 CYS A CA 1 ATOM 2268 C C . CYS B 1 84 ? -15.821 13.528 -45.565 1.00 24.81 ? 99 CYS A C 1 ATOM 2269 O O . CYS B 1 84 ? -16.106 14.706 -45.693 1.00 24.70 ? 99 CYS A O 1 ATOM 2270 C CB . CYS B 1 84 ? -15.996 13.056 -43.158 1.00 24.67 ? 99 CYS A CB 1 ATOM 2271 S SG . CYS B 1 84 ? -16.736 12.261 -41.720 1.00 26.38 ? 99 CYS A SG 1 ATOM 2272 N N . SER B 1 85 ? -14.829 12.947 -46.247 1.00 24.53 ? 100 SER A N 1 ATOM 2273 C CA . SER B 1 85 ? -14.000 13.733 -47.163 1.00 25.17 ? 100 SER A CA 1 ATOM 2274 C C . SER B 1 85 ? -14.816 14.385 -48.282 1.00 26.28 ? 100 SER A C 1 ATOM 2275 O O . SER B 1 85 ? -15.578 13.682 -48.951 1.00 27.29 ? 100 SER A O 1 ATOM 2276 C CB . SER B 1 85 ? -12.909 12.892 -47.808 1.00 24.30 ? 100 SER A CB 1 ATOM 2277 O OG . SER B 1 85 ? -12.235 13.637 -48.806 1.00 25.08 ? 100 SER A OG 1 ATOM 2278 N N . PRO B 1 86 ? -14.646 15.728 -48.491 1.00 25.34 ? 101 PRO A N 1 ATOM 2279 C CA . PRO B 1 86 ? -15.204 16.417 -49.667 1.00 25.47 ? 101 PRO A CA 1 ATOM 2280 C C . PRO B 1 86 ? -14.228 16.393 -50.848 1.00 24.76 ? 101 PRO A C 1 ATOM 2281 O O . PRO B 1 86 ? -14.455 17.081 -51.817 1.00 25.03 ? 101 PRO A O 1 ATOM 2282 C CB . PRO B 1 86 ? -15.342 17.870 -49.164 1.00 26.39 ? 101 PRO A CB 1 ATOM 2283 C CG . PRO B 1 86 ? -14.147 18.052 -48.288 1.00 26.30 ? 101 PRO A CG 1 ATOM 2284 C CD . PRO B 1 86 ? -13.949 16.687 -47.611 1.00 25.07 ? 101 PRO A CD 1 ATOM 2285 N N . ASN B 1 87 ? -13.149 15.620 -50.752 1.00 24.83 ? 102 ASN A N 1 ATOM 2286 C CA . ASN B 1 87 ? -12.018 15.674 -51.705 1.00 23.91 ? 102 ASN A CA 1 ATOM 2287 C C . ASN B 1 87 ? -11.782 14.392 -52.504 1.00 24.49 ? 102 ASN A C 1 ATOM 2288 O O . ASN B 1 87 ? -10.692 14.176 -53.042 1.00 25.14 ? 102 ASN A O 1 ATOM 2289 C CB . ASN B 1 87 ? -10.765 16.014 -50.904 1.00 25.54 ? 102 ASN A CB 1 ATOM 2290 C CG . ASN B 1 87 ? -10.836 17.394 -50.291 1.00 26.98 ? 102 ASN A CG 1 ATOM 2291 O OD1 . ASN B 1 87 ? -10.583 17.591 -49.092 1.00 31.68 ? 102 ASN A OD1 1 ATOM 2292 N ND2 . ASN B 1 87 ? -11.223 18.358 -51.105 1.00 25.91 ? 102 ASN A ND2 1 ATOM 2293 N N . LEU B 1 88 ? -12.799 13.546 -52.603 1.00 23.11 ? 103 LEU A N 1 ATOM 2294 C CA . LEU B 1 88 ? -12.658 12.267 -53.291 1.00 23.72 ? 103 LEU A CA 1 ATOM 2295 C C . LEU B 1 88 ? -13.210 12.297 -54.709 1.00 25.09 ? 103 LEU A C 1 ATOM 2296 O O . LEU B 1 88 ? -13.121 11.300 -55.424 1.00 24.53 ? 103 LEU A O 1 ATOM 2297 C CB . LEU B 1 88 ? -13.336 11.152 -52.492 1.00 22.11 ? 103 LEU A CB 1 ATOM 2298 C CG . LEU B 1 88 ? -12.954 11.026 -51.026 1.00 21.47 ? 103 LEU A CG 1 ATOM 2299 C CD1 . LEU B 1 88 ? -13.724 9.874 -50.394 1.00 21.45 ? 103 LEU A CD1 1 ATOM 2300 C CD2 . LEU B 1 88 ? -11.448 10.847 -50.850 1.00 22.04 ? 103 LEU A CD2 1 ATOM 2301 N N . GLY B 1 89 ? -13.755 13.438 -55.129 1.00 25.20 ? 104 GLY A N 1 ATOM 2302 C CA . GLY B 1 89 ? -14.428 13.531 -56.411 1.00 27.28 ? 104 GLY A CA 1 ATOM 2303 C C . GLY B 1 89 ? -13.721 12.943 -57.617 1.00 27.35 ? 104 GLY A C 1 ATOM 2304 O O . GLY B 1 89 ? -14.335 12.234 -58.399 1.00 27.85 ? 104 GLY A O 1 ATOM 2305 N N . PRO B 1 90 ? -12.420 13.211 -57.768 1.00 27.74 ? 105 PRO A N 1 ATOM 2306 C CA . PRO B 1 90 ? -11.720 12.624 -58.899 1.00 27.77 ? 105 PRO A CA 1 ATOM 2307 C C . PRO B 1 90 ? -11.618 11.110 -58.924 1.00 27.55 ? 105 PRO A C 1 ATOM 2308 O O . PRO B 1 90 ? -11.240 10.562 -59.947 1.00 25.61 ? 105 PRO A O 1 ATOM 2309 C CB . PRO B 1 90 ? -10.324 13.229 -58.793 1.00 29.43 ? 105 PRO A CB 1 ATOM 2310 C CG . PRO B 1 90 ? -10.495 14.471 -57.999 1.00 28.32 ? 105 PRO A CG 1 ATOM 2311 C CD . PRO B 1 90 ? -11.572 14.159 -57.028 1.00 29.13 ? 105 PRO A CD 1 ATOM 2312 N N . TRP B 1 91 ? -11.942 10.428 -57.829 1.00 26.99 ? 106 TRP A N 1 ATOM 2313 C CA . TRP B 1 91 ? -11.893 8.972 -57.800 1.00 26.58 ? 106 TRP A CA 1 ATOM 2314 C C . TRP B 1 91 ? -13.286 8.353 -57.692 1.00 25.83 ? 106 TRP A C 1 ATOM 2315 O O . TRP B 1 91 ? -13.415 7.130 -57.541 1.00 22.74 ? 106 TRP A O 1 ATOM 2316 C CB . TRP B 1 91 ? -10.969 8.521 -56.653 1.00 26.58 ? 106 TRP A CB 1 ATOM 2317 C CG . TRP B 1 91 ? -9.570 9.055 -56.875 1.00 26.41 ? 106 TRP A CG 1 ATOM 2318 C CD1 . TRP B 1 91 ? -8.601 8.485 -57.639 1.00 26.00 ? 106 TRP A CD1 1 ATOM 2319 C CD2 . TRP B 1 91 ? -9.034 10.298 -56.400 1.00 24.06 ? 106 TRP A CD2 1 ATOM 2320 N NE1 . TRP B 1 91 ? -7.479 9.288 -57.647 1.00 25.98 ? 106 TRP A NE1 1 ATOM 2321 C CE2 . TRP B 1 91 ? -7.726 10.407 -56.904 1.00 24.81 ? 106 TRP A CE2 1 ATOM 2322 C CE3 . TRP B 1 91 ? -9.538 11.332 -55.610 1.00 24.16 ? 106 TRP A CE3 1 ATOM 2323 C CZ2 . TRP B 1 91 ? -6.916 11.508 -56.644 1.00 25.12 ? 106 TRP A CZ2 1 ATOM 2324 C CZ3 . TRP B 1 91 ? -8.740 12.430 -55.350 1.00 24.29 ? 106 TRP A CZ3 1 ATOM 2325 C CH2 . TRP B 1 91 ? -7.426 12.497 -55.852 1.00 24.83 ? 106 TRP A CH2 1 ATOM 2326 N N . ILE B 1 92 ? -14.325 9.196 -57.782 1.00 25.93 ? 107 ILE A N 1 ATOM 2327 C CA . ILE B 1 92 ? -15.679 8.707 -57.690 1.00 27.29 ? 107 ILE A CA 1 ATOM 2328 C C . ILE B 1 92 ? -16.043 8.045 -59.020 1.00 29.66 ? 107 ILE A C 1 ATOM 2329 O O . ILE B 1 92 ? -15.750 8.588 -60.094 1.00 27.20 ? 107 ILE A O 1 ATOM 2330 C CB . ILE B 1 92 ? -16.699 9.816 -57.325 1.00 29.19 ? 107 ILE A CB 1 ATOM 2331 C CG1 . ILE B 1 92 ? -16.511 10.268 -55.863 1.00 29.94 ? 107 ILE A CG1 1 ATOM 2332 C CG2 . ILE B 1 92 ? -18.122 9.310 -57.545 1.00 29.25 ? 107 ILE A CG2 1 ATOM 2333 C CD1 . ILE B 1 92 ? -17.415 11.419 -55.432 1.00 31.19 ? 107 ILE A CD1 1 ATOM 2334 N N . GLN B 1 93 ? -16.676 6.875 -58.929 1.00 30.72 ? 108 GLN A N 1 ATOM 2335 C CA . GLN B 1 93 ? -17.126 6.119 -60.095 1.00 36.59 ? 108 GLN A CA 1 ATOM 2336 C C . GLN B 1 93 ? -18.457 5.429 -59.769 1.00 43.21 ? 108 GLN A C 1 ATOM 2337 O O . GLN B 1 93 ? -18.774 5.200 -58.600 1.00 41.63 ? 108 GLN A O 1 ATOM 2338 C CB . GLN B 1 93 ? -16.099 5.057 -60.501 1.00 36.27 ? 108 GLN A CB 1 ATOM 2339 C CG . GLN B 1 93 ? -14.669 5.613 -60.670 1.00 37.87 ? 108 GLN A CG 1 ATOM 2340 C CD . GLN B 1 93 ? -13.663 4.716 -61.399 1.00 38.53 ? 108 GLN A CD 1 ATOM 2341 O OE1 . GLN B 1 93 ? -12.500 5.094 -61.568 1.00 39.92 ? 108 GLN A OE1 1 ATOM 2342 N NE2 . GLN B 1 93 ? -14.087 3.562 -61.847 1.00 34.85 ? 108 GLN A NE2 1 ATOM 2343 N N . PRO B 1 94 ? -19.238 5.082 -60.799 1.00 50.71 ? 109 PRO A N 1 ATOM 2344 C CA . PRO B 1 94 ? -20.438 4.231 -60.613 1.00 54.45 ? 109 PRO A CA 1 ATOM 2345 C C . PRO B 1 94 ? -20.333 2.962 -59.691 1.00 57.96 ? 109 PRO A C 1 ATOM 2346 O O . PRO B 1 94 ? -19.291 2.269 -59.617 1.00 62.10 ? 109 PRO A O 1 ATOM 2347 C CB . PRO B 1 94 ? -20.785 3.847 -62.059 1.00 53.86 ? 109 PRO A CB 1 ATOM 2348 C CG . PRO B 1 94 ? -20.402 5.065 -62.851 1.00 53.33 ? 109 PRO A CG 1 ATOM 2349 C CD . PRO B 1 94 ? -19.176 5.641 -62.171 1.00 51.89 ? 109 PRO A CD 1 ATOM 2350 N N . GLY B 1 108 ? -26.017 3.993 -57.186 1.00 52.75 ? 123 GLY A N 1 ATOM 2351 C CA . GLY B 1 108 ? -25.039 4.239 -56.148 1.00 48.90 ? 123 GLY A CA 1 ATOM 2352 C C . GLY B 1 108 ? -23.683 4.574 -56.731 1.00 50.44 ? 123 GLY A C 1 ATOM 2353 O O . GLY B 1 108 ? -23.393 4.242 -57.885 1.00 53.14 ? 123 GLY A O 1 ATOM 2354 N N . GLU B 1 109 ? -22.857 5.240 -55.930 1.00 43.86 ? 124 GLU A N 1 ATOM 2355 C CA . GLU B 1 109 ? -21.489 5.562 -56.302 1.00 37.42 ? 124 GLU A CA 1 ATOM 2356 C C . GLU B 1 109 ? -20.535 5.020 -55.264 1.00 34.05 ? 124 GLU A C 1 ATOM 2357 O O . GLU B 1 109 ? -20.906 4.695 -54.144 1.00 29.47 ? 124 GLU A O 1 ATOM 2358 C CB . GLU B 1 109 ? -21.318 7.073 -56.436 1.00 40.02 ? 124 GLU A CB 1 ATOM 2359 C CG . GLU B 1 109 ? -21.695 7.622 -57.812 1.00 42.43 ? 124 GLU A CG 1 ATOM 2360 C CD . GLU B 1 109 ? -21.842 9.144 -57.833 1.00 44.62 ? 124 GLU A CD 1 ATOM 2361 O OE1 . GLU B 1 109 ? -21.779 9.795 -56.761 1.00 38.67 ? 124 GLU A OE1 1 ATOM 2362 O OE2 . GLU B 1 109 ? -22.026 9.703 -58.929 1.00 46.55 ? 124 GLU A OE2 1 ATOM 2363 N N . ARG B 1 110 ? -19.279 4.972 -55.661 1.00 30.23 ? 125 ARG A N 1 ATOM 2364 C CA . ARG B 1 110 ? -18.224 4.483 -54.843 1.00 29.51 ? 125 ARG A CA 1 ATOM 2365 C C . ARG B 1 110 ? -16.979 5.216 -55.278 1.00 29.02 ? 125 ARG A C 1 ATOM 2366 O O . ARG B 1 110 ? -17.019 6.027 -56.188 1.00 30.49 ? 125 ARG A O 1 ATOM 2367 C CB . ARG B 1 110 ? -18.051 2.979 -55.074 1.00 31.38 ? 125 ARG A CB 1 ATOM 2368 C CG . ARG B 1 110 ? -17.546 2.617 -56.470 1.00 33.69 ? 125 ARG A CG 1 ATOM 2369 C CD . ARG B 1 110 ? -17.042 1.175 -56.523 1.00 36.16 ? 125 ARG A CD 1 ATOM 2370 N NE . ARG B 1 110 ? -15.742 1.030 -55.858 1.00 37.39 ? 125 ARG A NE 1 ATOM 2371 C CZ . ARG B 1 110 ? -15.136 -0.134 -55.642 1.00 35.95 ? 125 ARG A CZ 1 ATOM 2372 N NH1 . ARG B 1 110 ? -15.693 -1.269 -56.057 1.00 32.48 ? 125 ARG A NH1 1 ATOM 2373 N NH2 . ARG B 1 110 ? -13.972 -0.159 -55.020 1.00 35.91 ? 125 ARG A NH2 1 ATOM 2374 N N . VAL B 1 111 ? -15.873 4.810 -54.695 1.00 27.49 ? 126 VAL A N 1 ATOM 2375 C CA . VAL B 1 111 ? -14.588 5.365 -54.966 1.00 27.96 ? 126 VAL A CA 1 ATOM 2376 C C . VAL B 1 111 ? -13.666 4.209 -55.390 1.00 27.45 ? 126 VAL A C 1 ATOM 2377 O O . VAL B 1 111 ? -13.826 3.100 -54.918 1.00 26.64 ? 126 VAL A O 1 ATOM 2378 C CB . VAL B 1 111 ? -14.252 6.137 -53.685 1.00 31.79 ? 126 VAL A CB 1 ATOM 2379 C CG1 . VAL B 1 111 ? -12.966 5.713 -53.014 1.00 35.44 ? 126 VAL A CG1 1 ATOM 2380 C CG2 . VAL B 1 111 ? -14.450 7.616 -53.938 1.00 32.09 ? 126 VAL A CG2 1 ATOM 2381 N N . VAL B 1 112 ? -12.751 4.464 -56.327 1.00 27.28 ? 127 VAL A N 1 ATOM 2382 C CA . VAL B 1 112 ? -11.796 3.459 -56.779 1.00 26.29 ? 127 VAL A CA 1 ATOM 2383 C C . VAL B 1 112 ? -10.381 4.036 -56.768 1.00 25.34 ? 127 VAL A C 1 ATOM 2384 O O . VAL B 1 112 ? -10.153 5.079 -57.371 1.00 26.08 ? 127 VAL A O 1 ATOM 2385 C CB . VAL B 1 112 ? -12.143 3.013 -58.215 1.00 28.10 ? 127 VAL A CB 1 ATOM 2386 C CG1 . VAL B 1 112 ? -11.065 2.092 -58.780 1.00 29.00 ? 127 VAL A CG1 1 ATOM 2387 C CG2 . VAL B 1 112 ? -13.491 2.297 -58.232 1.00 28.81 ? 127 VAL A CG2 1 ATOM 2388 N N . ASN B 1 113 ? -9.447 3.330 -56.121 1.00 24.65 ? 128 ASN A N 1 ATOM 2389 C CA . ASN B 1 113 ? -8.014 3.642 -56.143 1.00 24.40 ? 128 ASN A CA 1 ATOM 2390 C C . ASN B 1 113 ? -7.639 5.066 -55.667 1.00 24.83 ? 128 ASN A C 1 ATOM 2391 O O . ASN B 1 113 ? -6.714 5.704 -56.217 1.00 24.79 ? 128 ASN A O 1 ATOM 2392 C CB . ASN B 1 113 ? -7.449 3.403 -57.567 1.00 24.57 ? 128 ASN A CB 1 ATOM 2393 C CG . ASN B 1 113 ? -7.481 1.956 -57.974 1.00 24.09 ? 128 ASN A CG 1 ATOM 2394 O OD1 . ASN B 1 113 ? -7.578 1.044 -57.144 1.00 23.58 ? 128 ASN A OD1 1 ATOM 2395 N ND2 . ASN B 1 113 ? -7.356 1.733 -59.264 1.00 25.29 ? 128 ASN A ND2 1 ATOM 2396 N N . VAL B 1 114 ? -8.349 5.580 -54.668 1.00 23.82 ? 129 VAL A N 1 ATOM 2397 C CA . VAL B 1 114 ? -7.919 6.850 -54.037 1.00 23.56 ? 129 VAL A CA 1 ATOM 2398 C C . VAL B 1 114 ? -6.493 6.641 -53.528 1.00 23.09 ? 129 VAL A C 1 ATOM 2399 O O . VAL B 1 114 ? -6.265 5.756 -52.713 1.00 22.72 ? 129 VAL A O 1 ATOM 2400 C CB . VAL B 1 114 ? -8.772 7.209 -52.821 1.00 25.84 ? 129 VAL A CB 1 ATOM 2401 C CG1 . VAL B 1 114 ? -8.177 8.410 -52.056 1.00 25.06 ? 129 VAL A CG1 1 ATOM 2402 C CG2 . VAL B 1 114 ? -10.198 7.515 -53.255 1.00 26.23 ? 129 VAL A CG2 1 ATOM 2403 N N . PRO B 1 115 ? -5.550 7.461 -53.970 1.00 23.72 ? 130 PRO A N 1 ATOM 2404 C CA . PRO B 1 115 ? -4.151 7.213 -53.605 1.00 25.18 ? 130 PRO A CA 1 ATOM 2405 C C . PRO B 1 115 ? -3.809 7.693 -52.197 1.00 23.57 ? 130 PRO A C 1 ATOM 2406 O O . PRO B 1 115 ? -3.805 8.891 -51.940 1.00 24.63 ? 130 PRO A O 1 ATOM 2407 C CB . PRO B 1 115 ? -3.394 7.998 -54.658 1.00 25.73 ? 130 PRO A CB 1 ATOM 2408 C CG . PRO B 1 115 ? -4.293 9.134 -54.989 1.00 26.99 ? 130 PRO A CG 1 ATOM 2409 C CD . PRO B 1 115 ? -5.676 8.580 -54.910 1.00 25.04 ? 130 PRO A CD 1 ATOM 2410 N N . LEU B 1 116 ? -3.537 6.760 -51.294 1.00 23.50 ? 131 LEU A N 1 ATOM 2411 C CA . LEU B 1 116 ? -3.199 7.063 -49.907 1.00 23.74 ? 131 LEU A CA 1 ATOM 2412 C C . LEU B 1 116 ? -1.695 7.133 -49.730 1.00 24.21 ? 131 LEU A C 1 ATOM 2413 O O . LEU B 1 116 ? -0.969 6.269 -50.205 1.00 24.11 ? 131 LEU A O 1 ATOM 2414 C CB . LEU B 1 116 ? -3.759 6.005 -48.945 1.00 26.02 ? 131 LEU A CB 1 ATOM 2415 C CG . LEU B 1 116 ? -5.270 5.967 -48.780 1.00 29.03 ? 131 LEU A CG 1 ATOM 2416 C CD1 . LEU B 1 116 ? -5.648 4.944 -47.719 1.00 33.39 ? 131 LEU A CD1 1 ATOM 2417 C CD2 . LEU B 1 116 ? -5.822 7.328 -48.391 1.00 30.91 ? 131 LEU A CD2 1 ATOM 2418 N N . CYS B 1 117 ? -1.241 8.150 -48.992 1.00 26.69 ? 132 CYS A N 1 ATOM 2419 C CA . CYS B 1 117 ? 0.182 8.391 -48.833 1.00 27.51 ? 132 CYS A CA 1 ATOM 2420 C C . CYS B 1 117 ? 0.836 7.230 -48.119 1.00 29.21 ? 132 CYS A C 1 ATOM 2421 O O . CYS B 1 117 ? 0.225 6.516 -47.304 1.00 26.52 ? 132 CYS A O 1 ATOM 2422 C CB . CYS B 1 117 ? 0.445 9.680 -48.047 1.00 30.92 ? 132 CYS A CB 1 ATOM 2423 S SG . CYS B 1 117 ? -0.152 11.198 -48.822 1.00 31.91 ? 132 CYS A SG 1 ATOM 2424 N N . GLN B 1 118 ? 2.104 7.049 -48.428 1.00 28.95 ? 133 GLN A N 1 ATOM 2425 C CA . GLN B 1 118 ? 2.877 5.984 -47.855 1.00 32.66 ? 133 GLN A CA 1 ATOM 2426 C C . GLN B 1 118 ? 2.805 5.926 -46.313 1.00 32.33 ? 133 GLN A C 1 ATOM 2427 O O . GLN B 1 118 ? 2.584 4.854 -45.757 1.00 29.81 ? 133 GLN A O 1 ATOM 2428 C CB . GLN B 1 118 ? 4.305 6.132 -48.307 1.00 36.06 ? 133 GLN A CB 1 ATOM 2429 C CG . GLN B 1 118 ? 5.124 4.895 -48.176 1.00 44.65 ? 133 GLN A CG 1 ATOM 2430 C CD . GLN B 1 118 ? 6.417 5.105 -48.916 1.00 46.57 ? 133 GLN A CD 1 ATOM 2431 O OE1 . GLN B 1 118 ? 7.259 5.880 -48.468 1.00 48.70 ? 133 GLN A OE1 1 ATOM 2432 N NE2 . GLN B 1 118 ? 6.548 4.490 -50.084 1.00 44.50 ? 133 GLN A NE2 1 ATOM 2433 N N . GLU B 1 119 ? 2.962 7.061 -45.635 1.00 30.32 ? 134 GLU A N 1 ATOM 2434 C CA . GLU B 1 119 ? 2.919 7.066 -44.170 1.00 32.90 ? 134 GLU A CA 1 ATOM 2435 C C . GLU B 1 119 ? 1.578 6.588 -43.626 1.00 32.13 ? 134 GLU A C 1 ATOM 2436 O O . GLU B 1 119 ? 1.543 5.919 -42.609 1.00 33.22 ? 134 GLU A O 1 ATOM 2437 C CB . GLU B 1 119 ? 3.237 8.442 -43.580 1.00 35.65 ? 134 GLU A CB 1 ATOM 2438 C CG . GLU B 1 119 ? 4.661 8.911 -43.876 1.00 37.13 ? 134 GLU A CG 1 ATOM 2439 C CD . GLU B 1 119 ? 4.756 9.771 -45.130 1.00 40.17 ? 134 GLU A CD 1 ATOM 2440 O OE1 . GLU B 1 119 ? 4.043 9.522 -46.136 1.00 36.61 ? 134 GLU A OE1 1 ATOM 2441 O OE2 . GLU B 1 119 ? 5.538 10.740 -45.117 1.00 44.13 ? 134 GLU A OE2 1 ATOM 2442 N N . ASP B 1 120 ? 0.490 6.911 -44.313 1.00 27.84 ? 135 ASP A N 1 ATOM 2443 C CA . ASP B 1 120 ? -0.818 6.513 -43.841 1.00 29.88 ? 135 ASP A CA 1 ATOM 2444 C C . ASP B 1 120 ? -0.983 4.997 -43.873 1.00 29.96 ? 135 ASP A C 1 ATOM 2445 O O . ASP B 1 120 ? -1.460 4.432 -42.906 1.00 31.38 ? 135 ASP A O 1 ATOM 2446 C CB . ASP B 1 120 ? -1.908 7.201 -44.635 1.00 28.58 ? 135 ASP A CB 1 ATOM 2447 C CG . ASP B 1 120 ? -1.900 8.698 -44.425 1.00 30.41 ? 135 ASP A CG 1 ATOM 2448 O OD1 . ASP B 1 120 ? -0.935 9.371 -44.915 1.00 28.00 ? 135 ASP A OD1 1 ATOM 2449 O OD2 . ASP B 1 120 ? -2.851 9.194 -43.768 1.00 28.79 ? 135 ASP A OD2 1 ATOM 2450 N N . CYS B 1 121 ? -0.527 4.345 -44.943 1.00 27.66 ? 136 CYS A N 1 ATOM 2451 C CA . CYS B 1 121 ? -0.569 2.887 -45.044 1.00 29.21 ? 136 CYS A CA 1 ATOM 2452 C C . CYS B 1 121 ? 0.462 2.206 -44.142 1.00 31.26 ? 136 CYS A C 1 ATOM 2453 O O . CYS B 1 121 ? 0.179 1.168 -43.517 1.00 30.65 ? 136 CYS A O 1 ATOM 2454 C CB . CYS B 1 121 ? -0.374 2.453 -46.510 1.00 31.41 ? 136 CYS A CB 1 ATOM 2455 S SG . CYS B 1 121 ? -1.732 3.044 -47.553 1.00 33.52 ? 136 CYS A SG 1 ATOM 2456 N N . GLU B 1 122 ? 1.640 2.803 -44.077 1.00 31.09 ? 137 GLU A N 1 ATOM 2457 C CA . GLU B 1 122 ? 2.746 2.305 -43.265 1.00 36.96 ? 137 GLU A CA 1 ATOM 2458 C C . GLU B 1 122 ? 2.376 2.271 -41.792 1.00 33.07 ? 137 GLU A C 1 ATOM 2459 O O . GLU B 1 122 ? 2.546 1.257 -41.147 1.00 29.87 ? 137 GLU A O 1 ATOM 2460 C CB . GLU B 1 122 ? 3.969 3.203 -43.454 1.00 45.15 ? 137 GLU A CB 1 ATOM 2461 C CG . GLU B 1 122 ? 5.299 2.559 -43.136 1.00 57.84 ? 137 GLU A CG 1 ATOM 2462 C CD . GLU B 1 122 ? 5.989 2.014 -44.375 1.00 66.18 ? 137 GLU A CD 1 ATOM 2463 O OE1 . GLU B 1 122 ? 6.340 2.820 -45.275 1.00 68.55 ? 137 GLU A OE1 1 ATOM 2464 O OE2 . GLU B 1 122 ? 6.180 0.778 -44.440 1.00 73.37 ? 137 GLU A OE2 1 ATOM 2465 N N . GLU B 1 123 ? 1.887 3.388 -41.264 1.00 32.37 ? 138 GLU A N 1 ATOM 2466 C CA . GLU B 1 123 ? 1.621 3.502 -39.827 1.00 33.59 ? 138 GLU A CA 1 ATOM 2467 C C . GLU B 1 123 ? 0.452 2.608 -39.465 1.00 30.35 ? 138 GLU A C 1 ATOM 2468 O O . GLU B 1 123 ? 0.452 1.978 -38.418 1.00 31.56 ? 138 GLU A O 1 ATOM 2469 C CB . GLU B 1 123 ? 1.371 4.951 -39.397 1.00 35.55 ? 138 GLU A CB 1 ATOM 2470 C CG . GLU B 1 123 ? 2.608 5.836 -39.521 1.00 41.22 ? 138 GLU A CG 1 ATOM 2471 C CD . GLU B 1 123 ? 2.325 7.332 -39.439 1.00 47.62 ? 138 GLU A CD 1 ATOM 2472 O OE1 . GLU B 1 123 ? 1.201 7.747 -39.067 1.00 51.02 ? 138 GLU A OE1 1 ATOM 2473 O OE2 . GLU B 1 123 ? 3.248 8.109 -39.763 1.00 58.22 ? 138 GLU A OE2 1 ATOM 2474 N N . TRP B 1 124 ? -0.510 2.514 -40.365 1.00 28.62 ? 139 TRP A N 1 ATOM 2475 C CA . TRP B 1 124 ? -1.704 1.699 -40.157 1.00 27.51 ? 139 TRP A CA 1 ATOM 2476 C C . TRP B 1 124 ? -1.267 0.233 -40.046 1.00 29.72 ? 139 TRP A C 1 ATOM 2477 O O . TRP B 1 124 ? -1.657 -0.482 -39.127 1.00 29.51 ? 139 TRP A O 1 ATOM 2478 C CB . TRP B 1 124 ? -2.618 1.908 -41.345 1.00 27.32 ? 139 TRP A CB 1 ATOM 2479 C CG . TRP B 1 124 ? -3.964 1.297 -41.325 1.00 28.14 ? 139 TRP A CG 1 ATOM 2480 C CD1 . TRP B 1 124 ? -4.493 0.433 -40.409 1.00 27.90 ? 139 TRP A CD1 1 ATOM 2481 C CD2 . TRP B 1 124 ? -4.960 1.476 -42.329 1.00 27.71 ? 139 TRP A CD2 1 ATOM 2482 N NE1 . TRP B 1 124 ? -5.780 0.092 -40.771 1.00 26.92 ? 139 TRP A NE1 1 ATOM 2483 C CE2 . TRP B 1 124 ? -6.087 0.719 -41.948 1.00 27.52 ? 139 TRP A CE2 1 ATOM 2484 C CE3 . TRP B 1 124 ? -5.010 2.216 -43.522 1.00 28.43 ? 139 TRP A CE3 1 ATOM 2485 C CZ2 . TRP B 1 124 ? -7.256 0.683 -42.715 1.00 27.65 ? 139 TRP A CZ2 1 ATOM 2486 C CZ3 . TRP B 1 124 ? -6.194 2.206 -44.268 1.00 27.83 ? 139 TRP A CZ3 1 ATOM 2487 C CH2 . TRP B 1 124 ? -7.287 1.434 -43.869 1.00 26.93 ? 139 TRP A CH2 1 ATOM 2488 N N . TRP B 1 125 ? -0.412 -0.187 -40.972 1.00 28.91 ? 140 TRP A N 1 ATOM 2489 C CA . TRP B 1 125 ? 0.153 -1.531 -40.940 1.00 31.45 ? 140 TRP A CA 1 ATOM 2490 C C . TRP B 1 125 ? 0.968 -1.766 -39.661 1.00 30.38 ? 140 TRP A C 1 ATOM 2491 O O . TRP B 1 125 ? 0.720 -2.727 -38.937 1.00 29.60 ? 140 TRP A O 1 ATOM 2492 C CB . TRP B 1 125 ? 0.970 -1.773 -42.211 1.00 31.28 ? 140 TRP A CB 1 ATOM 2493 C CG . TRP B 1 125 ? 1.369 -3.160 -42.385 1.00 34.30 ? 140 TRP A CG 1 ATOM 2494 C CD1 . TRP B 1 125 ? 0.686 -4.151 -43.027 1.00 35.60 ? 140 TRP A CD1 1 ATOM 2495 C CD2 . TRP B 1 125 ? 2.572 -3.739 -41.904 1.00 37.36 ? 140 TRP A CD2 1 ATOM 2496 N NE1 . TRP B 1 125 ? 1.402 -5.325 -42.971 1.00 36.70 ? 140 TRP A NE1 1 ATOM 2497 C CE2 . TRP B 1 125 ? 2.566 -5.099 -42.284 1.00 38.14 ? 140 TRP A CE2 1 ATOM 2498 C CE3 . TRP B 1 125 ? 3.652 -3.241 -41.174 1.00 40.59 ? 140 TRP A CE3 1 ATOM 2499 C CZ2 . TRP B 1 125 ? 3.612 -5.977 -41.956 1.00 42.82 ? 140 TRP A CZ2 1 ATOM 2500 C CZ3 . TRP B 1 125 ? 4.707 -4.118 -40.853 1.00 46.36 ? 140 TRP A CZ3 1 ATOM 2501 C CH2 . TRP B 1 125 ? 4.670 -5.470 -41.245 1.00 43.67 ? 140 TRP A CH2 1 ATOM 2502 N N . GLU B 1 126 ? 1.891 -0.862 -39.354 1.00 32.69 ? 141 GLU A N 1 ATOM 2503 C CA . GLU B 1 126 ? 2.760 -1.035 -38.178 1.00 35.57 ? 141 GLU A CA 1 ATOM 2504 C C . GLU B 1 126 ? 1.949 -1.158 -36.875 1.00 35.62 ? 141 GLU A C 1 ATOM 2505 O O . GLU B 1 126 ? 2.220 -2.015 -36.050 1.00 35.39 ? 141 GLU A O 1 ATOM 2506 C CB . GLU B 1 126 ? 3.766 0.119 -38.048 1.00 39.43 ? 141 GLU A CB 1 ATOM 2507 C CG . GLU B 1 126 ? 5.177 -0.256 -38.452 1.00 49.08 ? 141 GLU A CG 1 ATOM 2508 C CD . GLU B 1 126 ? 5.774 -1.305 -37.534 1.00 50.38 ? 141 GLU A CD 1 ATOM 2509 O OE1 . GLU B 1 126 ? 5.799 -1.106 -36.290 1.00 55.17 ? 141 GLU A OE1 1 ATOM 2510 O OE2 . GLU B 1 126 ? 6.211 -2.339 -38.072 1.00 58.46 ? 141 GLU A OE2 1 ATOM 2511 N N . ASP B 1 127 ? 0.962 -0.280 -36.721 1.00 32.14 ? 142 ASP A N 1 ATOM 2512 C CA . ASP B 1 127 ? 0.069 -0.262 -35.557 1.00 31.39 ? 142 ASP A CA 1 ATOM 2513 C C . ASP B 1 127 ? -0.895 -1.454 -35.465 1.00 31.55 ? 142 ASP A C 1 ATOM 2514 O O . ASP B 1 127 ? -1.456 -1.689 -34.391 1.00 34.36 ? 142 ASP A O 1 ATOM 2515 C CB . ASP B 1 127 ? -0.724 1.057 -35.517 1.00 31.38 ? 142 ASP A CB 1 ATOM 2516 C CG . ASP B 1 127 ? 0.144 2.268 -35.178 1.00 33.34 ? 142 ASP A CG 1 ATOM 2517 O OD1 . ASP B 1 127 ? 1.328 2.102 -34.824 1.00 40.59 ? 142 ASP A OD1 1 ATOM 2518 O OD2 . ASP B 1 127 ? -0.348 3.402 -35.296 1.00 32.31 ? 142 ASP A OD2 1 ATOM 2519 N N . CYS B 1 128 ? -1.105 -2.170 -36.575 1.00 28.70 ? 143 CYS A N 1 ATOM 2520 C CA . CYS B 1 128 ? -1.958 -3.360 -36.613 1.00 31.23 ? 143 CYS A CA 1 ATOM 2521 C C . CYS B 1 128 ? -1.225 -4.704 -36.590 1.00 32.12 ? 143 CYS A C 1 ATOM 2522 O O . CYS B 1 128 ? -1.884 -5.735 -36.582 1.00 32.34 ? 143 CYS A O 1 ATOM 2523 C CB . CYS B 1 128 ? -2.866 -3.309 -37.856 1.00 31.71 ? 143 CYS A CB 1 ATOM 2524 S SG . CYS B 1 128 ? -4.176 -2.072 -37.724 1.00 32.61 ? 143 CYS A SG 1 ATOM 2525 N N . ARG B 1 129 ? 0.106 -4.704 -36.552 1.00 33.93 ? 144 ARG A N 1 ATOM 2526 C CA . ARG B 1 129 ? 0.890 -5.956 -36.615 1.00 39.78 ? 144 ARG A CA 1 ATOM 2527 C C . ARG B 1 129 ? 0.532 -6.958 -35.519 1.00 40.92 ? 144 ARG A C 1 ATOM 2528 O O . ARG B 1 129 ? 0.425 -8.140 -35.787 1.00 50.66 ? 144 ARG A O 1 ATOM 2529 C CB . ARG B 1 129 ? 2.382 -5.684 -36.477 1.00 41.28 ? 144 ARG A CB 1 ATOM 2530 C CG . ARG B 1 129 ? 2.950 -4.824 -37.561 1.00 46.70 ? 144 ARG A CG 1 ATOM 2531 C CD . ARG B 1 129 ? 4.372 -4.454 -37.242 1.00 54.28 ? 144 ARG A CD 1 ATOM 2532 N NE . ARG B 1 129 ? 5.312 -5.446 -37.757 1.00 63.31 ? 144 ARG A NE 1 ATOM 2533 C CZ . ARG B 1 129 ? 6.640 -5.314 -37.763 1.00 70.75 ? 144 ARG A CZ 1 ATOM 2534 N NH1 . ARG B 1 129 ? 7.224 -4.232 -37.244 1.00 72.78 ? 144 ARG A NH1 1 ATOM 2535 N NH2 . ARG B 1 129 ? 7.397 -6.283 -38.282 1.00 69.14 ? 144 ARG A NH2 1 ATOM 2536 N N . MET B 1 130 ? 0.362 -6.474 -34.294 1.00 40.68 ? 145 MET A N 1 ATOM 2537 C CA . MET B 1 130 ? -0.015 -7.323 -33.145 1.00 41.66 ? 145 MET A CA 1 ATOM 2538 C C . MET B 1 130 ? -1.514 -7.620 -33.010 1.00 38.35 ? 145 MET A C 1 ATOM 2539 O O . MET B 1 130 ? -1.910 -8.334 -32.102 1.00 37.32 ? 145 MET A O 1 ATOM 2540 C CB . MET B 1 130 ? 0.505 -6.689 -31.848 1.00 45.50 ? 145 MET A CB 1 ATOM 2541 C CG . MET B 1 130 ? 2.006 -6.411 -31.869 1.00 49.80 ? 145 MET A CG 1 ATOM 2542 S SD . MET B 1 130 ? 2.956 -7.874 -32.309 1.00 57.77 ? 145 MET A SD 1 ATOM 2543 C CE . MET B 1 130 ? 2.836 -8.812 -30.775 1.00 56.47 ? 145 MET A CE 1 ATOM 2544 N N . SER B 1 131 ? -2.346 -7.090 -33.900 1.00 33.87 ? 146 SER A N 1 ATOM 2545 C CA . SER B 1 131 ? -3.768 -7.446 -33.925 1.00 31.42 ? 146 SER A CA 1 ATOM 2546 C C . SER B 1 131 ? -3.996 -8.656 -34.821 1.00 32.67 ? 146 SER A C 1 ATOM 2547 O O . SER B 1 131 ? -3.118 -9.034 -35.589 1.00 32.41 ? 146 SER A O 1 ATOM 2548 C CB . SER B 1 131 ? -4.596 -6.259 -34.394 1.00 30.44 ? 146 SER A CB 1 ATOM 2549 O OG . SER B 1 131 ? -4.207 -5.097 -33.678 1.00 30.31 ? 146 SER A OG 1 ATOM 2550 N N . TYR B 1 132 ? -5.193 -9.249 -34.736 1.00 32.82 ? 147 TYR A N 1 ATOM 2551 C CA . TYR B 1 132 ? -5.494 -10.534 -35.408 1.00 32.84 ? 147 TYR A CA 1 ATOM 2552 C C . TYR B 1 132 ? -6.673 -10.405 -36.374 1.00 32.03 ? 147 TYR A C 1 ATOM 2553 O O . TYR B 1 132 ? -7.638 -9.692 -36.089 1.00 29.01 ? 147 TYR A O 1 ATOM 2554 C CB . TYR B 1 132 ? -5.755 -11.658 -34.365 1.00 35.19 ? 147 TYR A CB 1 ATOM 2555 C CG . TYR B 1 132 ? -4.480 -12.274 -33.793 1.00 37.58 ? 147 TYR A CG 1 ATOM 2556 C CD1 . TYR B 1 132 ? -3.559 -11.491 -33.101 1.00 39.31 ? 147 TYR A CD1 1 ATOM 2557 C CD2 . TYR B 1 132 ? -4.188 -13.635 -33.950 1.00 41.68 ? 147 TYR A CD2 1 ATOM 2558 C CE1 . TYR B 1 132 ? -2.391 -12.033 -32.587 1.00 42.97 ? 147 TYR A CE1 1 ATOM 2559 C CE2 . TYR B 1 132 ? -3.014 -14.186 -33.434 1.00 41.40 ? 147 TYR A CE2 1 ATOM 2560 C CZ . TYR B 1 132 ? -2.124 -13.371 -32.756 1.00 42.85 ? 147 TYR A CZ 1 ATOM 2561 O OH . TYR B 1 132 ? -0.957 -13.852 -32.236 1.00 48.82 ? 147 TYR A OH 1 ATOM 2562 N N . THR B 1 133 ? -6.556 -11.075 -37.527 1.00 32.39 ? 148 THR A N 1 ATOM 2563 C CA . THR B 1 133 ? -7.670 -11.270 -38.470 1.00 31.51 ? 148 THR A CA 1 ATOM 2564 C C . THR B 1 133 ? -7.590 -12.702 -39.020 1.00 33.42 ? 148 THR A C 1 ATOM 2565 O O . THR B 1 133 ? -6.631 -13.433 -38.722 1.00 33.61 ? 148 THR A O 1 ATOM 2566 C CB . THR B 1 133 ? -7.610 -10.268 -39.644 1.00 32.15 ? 148 THR A CB 1 ATOM 2567 O OG1 . THR B 1 133 ? -8.762 -10.415 -40.480 1.00 29.56 ? 148 THR A OG1 1 ATOM 2568 C CG2 . THR B 1 133 ? -6.332 -10.461 -40.488 1.00 31.90 ? 148 THR A CG2 1 ATOM 2569 N N . CYS B 1 134 ? -8.583 -13.093 -39.810 1.00 31.08 ? 149 CYS A N 1 ATOM 2570 C CA . CYS B 1 134 ? -8.627 -14.457 -40.366 1.00 37.00 ? 149 CYS A CA 1 ATOM 2571 C C . CYS B 1 134 ? -8.635 -14.546 -41.886 1.00 38.57 ? 149 CYS A C 1 ATOM 2572 O O . CYS B 1 134 ? -8.729 -15.652 -42.425 1.00 36.65 ? 149 CYS A O 1 ATOM 2573 C CB . CYS B 1 134 ? -9.855 -15.192 -39.834 1.00 39.09 ? 149 CYS A CB 1 ATOM 2574 S SG . CYS B 1 134 ? -11.421 -14.360 -40.140 1.00 39.08 ? 149 CYS A SG 1 ATOM 2575 N N . LYS B 1 135 ? -8.551 -13.397 -42.560 1.00 36.60 ? 150 LYS A N 1 ATOM 2576 C CA . LYS B 1 135 ? -8.663 -13.298 -44.010 1.00 36.34 ? 150 LYS A CA 1 ATOM 2577 C C . LYS B 1 135 ? -7.751 -12.209 -44.527 1.00 37.09 ? 150 LYS A C 1 ATOM 2578 O O . LYS B 1 135 ? -7.545 -11.190 -43.858 1.00 34.68 ? 150 LYS A O 1 ATOM 2579 C CB . LYS B 1 135 ? -10.101 -12.975 -44.395 1.00 36.79 ? 150 LYS A CB 1 ATOM 2580 C CG . LYS B 1 135 ? -10.982 -14.215 -44.365 1.00 36.50 ? 150 LYS A CG 1 ATOM 2581 C CD . LYS B 1 135 ? -12.466 -13.917 -44.431 1.00 37.75 ? 150 LYS A CD 1 ATOM 2582 C CE . LYS B 1 135 ? -12.828 -13.033 -45.607 1.00 37.36 ? 150 LYS A CE 1 ATOM 2583 N NZ . LYS B 1 135 ? -12.317 -13.571 -46.905 1.00 34.69 ? 150 LYS A NZ 1 ATOM 2584 N N . SER B 1 136 ? -7.208 -12.413 -45.717 1.00 36.02 ? 151 SER A N 1 ATOM 2585 C CA . SER B 1 136 ? -6.412 -11.374 -46.355 1.00 40.60 ? 151 SER A CA 1 ATOM 2586 C C . SER B 1 136 ? -7.187 -10.549 -47.370 1.00 38.73 ? 151 SER A C 1 ATOM 2587 O O . SER B 1 136 ? -6.648 -9.591 -47.903 1.00 40.19 ? 151 SER A O 1 ATOM 2588 C CB . SER B 1 136 ? -5.124 -11.957 -46.955 1.00 44.36 ? 151 SER A CB 1 ATOM 2589 O OG . SER B 1 136 ? -5.299 -13.209 -47.549 1.00 49.16 ? 151 SER A OG 1 ATOM 2590 N N . ASN B 1 137 ? -8.435 -10.910 -47.637 1.00 39.56 ? 152 ASN A N 1 ATOM 2591 C CA . ASN B 1 137 ? -9.290 -10.070 -48.444 1.00 40.10 ? 152 ASN A CA 1 ATOM 2592 C C . ASN B 1 137 ? -10.667 -9.988 -47.831 1.00 37.83 ? 152 ASN A C 1 ATOM 2593 O O . ASN B 1 137 ? -11.453 -10.942 -47.864 1.00 36.83 ? 152 ASN A O 1 ATOM 2594 C CB . ASN B 1 137 ? -9.369 -10.554 -49.891 1.00 43.42 ? 152 ASN A CB 1 ATOM 2595 C CG . ASN B 1 137 ? -9.861 -9.456 -50.829 1.00 45.10 ? 152 ASN A CG 1 ATOM 2596 O OD1 . ASN B 1 137 ? -10.790 -8.723 -50.505 1.00 46.17 ? 152 ASN A OD1 1 ATOM 2597 N ND2 . ASN B 1 137 ? -9.207 -9.304 -51.961 1.00 47.95 ? 152 ASN A ND2 1 ATOM 2598 N N . TRP B 1 138 ? -10.967 -8.808 -47.302 1.00 35.62 ? 153 TRP A N 1 ATOM 2599 C CA . TRP B 1 138 ? -12.183 -8.605 -46.522 1.00 36.11 ? 153 TRP A CA 1 ATOM 2600 C C . TRP B 1 138 ? -13.422 -8.349 -47.352 1.00 35.96 ? 153 TRP A C 1 ATOM 2601 O O . TRP B 1 138 ? -14.529 -8.316 -46.811 1.00 34.33 ? 153 TRP A O 1 ATOM 2602 C CB . TRP B 1 138 ? -11.964 -7.441 -45.562 1.00 34.27 ? 153 TRP A CB 1 ATOM 2603 C CG . TRP B 1 138 ? -11.044 -7.771 -44.431 1.00 32.47 ? 153 TRP A CG 1 ATOM 2604 C CD1 . TRP B 1 138 ? -10.280 -8.904 -44.255 1.00 31.29 ? 153 TRP A CD1 1 ATOM 2605 C CD2 . TRP B 1 138 ? -10.787 -6.939 -43.322 1.00 29.60 ? 153 TRP A CD2 1 ATOM 2606 N NE1 . TRP B 1 138 ? -9.582 -8.812 -43.087 1.00 31.44 ? 153 TRP A NE1 1 ATOM 2607 C CE2 . TRP B 1 138 ? -9.876 -7.613 -42.493 1.00 30.91 ? 153 TRP A CE2 1 ATOM 2608 C CE3 . TRP B 1 138 ? -11.262 -5.685 -42.933 1.00 29.87 ? 153 TRP A CE3 1 ATOM 2609 C CZ2 . TRP B 1 138 ? -9.419 -7.067 -41.298 1.00 30.45 ? 153 TRP A CZ2 1 ATOM 2610 C CZ3 . TRP B 1 138 ? -10.811 -5.151 -41.764 1.00 31.24 ? 153 TRP A CZ3 1 ATOM 2611 C CH2 . TRP B 1 138 ? -9.900 -5.840 -40.952 1.00 29.89 ? 153 TRP A CH2 1 ATOM 2612 N N . ARG B 1 139 ? -13.242 -8.177 -48.654 1.00 36.48 ? 154 ARG A N 1 ATOM 2613 C CA . ARG B 1 139 ? -14.336 -7.816 -49.560 1.00 41.89 ? 154 ARG A CA 1 ATOM 2614 C C . ARG B 1 139 ? -15.455 -8.872 -49.640 1.00 41.89 ? 154 ARG A C 1 ATOM 2615 O O . ARG B 1 139 ? -16.602 -8.527 -49.912 1.00 43.24 ? 154 ARG A O 1 ATOM 2616 C CB . ARG B 1 139 ? -13.758 -7.482 -50.952 1.00 46.57 ? 154 ARG A CB 1 ATOM 2617 C CG . ARG B 1 139 ? -14.538 -7.968 -52.158 1.00 52.39 ? 154 ARG A CG 1 ATOM 2618 C CD . ARG B 1 139 ? -14.222 -7.142 -53.385 1.00 56.88 ? 154 ARG A CD 1 ATOM 2619 N NE . ARG B 1 139 ? -12.902 -7.438 -53.921 1.00 56.21 ? 154 ARG A NE 1 ATOM 2620 C CZ . ARG B 1 139 ? -12.613 -8.473 -54.709 1.00 61.19 ? 154 ARG A CZ 1 ATOM 2621 N NH1 . ARG B 1 139 ? -11.367 -8.628 -55.146 1.00 69.74 ? 154 ARG A NH1 1 ATOM 2622 N NH2 . ARG B 1 139 ? -13.547 -9.349 -55.073 1.00 58.24 ? 154 ARG A NH2 1 ATOM 2623 N N . GLY B 1 140 ? -15.122 -10.141 -49.428 1.00 37.98 ? 155 GLY A N 1 ATOM 2624 C CA . GLY B 1 140 ? -16.136 -11.191 -49.399 1.00 38.82 ? 155 GLY A CA 1 ATOM 2625 C C . GLY B 1 140 ? -15.660 -12.472 -48.753 1.00 39.91 ? 155 GLY A C 1 ATOM 2626 O O . GLY B 1 140 ? -14.525 -12.568 -48.260 1.00 38.55 ? 155 GLY A O 1 ATOM 2627 N N . GLY B 1 141 ? -16.558 -13.452 -48.749 1.00 40.37 ? 156 GLY A N 1 ATOM 2628 C CA . GLY B 1 141 ? -16.274 -14.785 -48.236 1.00 42.90 ? 156 GLY A CA 1 ATOM 2629 C C . GLY B 1 141 ? -16.344 -14.911 -46.731 1.00 43.16 ? 156 GLY A C 1 ATOM 2630 O O . GLY B 1 141 ? -15.657 -15.752 -46.149 1.00 47.50 ? 156 GLY A O 1 ATOM 2631 N N . TRP B 1 142 ? -17.159 -14.079 -46.093 1.00 43.21 ? 157 TRP A N 1 ATOM 2632 C CA . TRP B 1 142 ? -17.402 -14.201 -44.655 1.00 42.80 ? 157 TRP A CA 1 ATOM 2633 C C . TRP B 1 142 ? -18.570 -15.150 -44.418 1.00 43.61 ? 157 TRP A C 1 ATOM 2634 O O . TRP B 1 142 ? -19.413 -15.348 -45.283 1.00 40.72 ? 157 TRP A O 1 ATOM 2635 C CB . TRP B 1 142 ? -17.712 -12.839 -44.020 1.00 41.57 ? 157 TRP A CB 1 ATOM 2636 C CG . TRP B 1 142 ? -16.577 -11.910 -44.077 1.00 41.38 ? 157 TRP A CG 1 ATOM 2637 C CD1 . TRP B 1 142 ? -16.315 -10.988 -45.057 1.00 40.27 ? 157 TRP A CD1 1 ATOM 2638 C CD2 . TRP B 1 142 ? -15.511 -11.813 -43.136 1.00 39.49 ? 157 TRP A CD2 1 ATOM 2639 N NE1 . TRP B 1 142 ? -15.154 -10.319 -44.772 1.00 40.51 ? 157 TRP A NE1 1 ATOM 2640 C CE2 . TRP B 1 142 ? -14.629 -10.817 -43.606 1.00 41.07 ? 157 TRP A CE2 1 ATOM 2641 C CE3 . TRP B 1 142 ? -15.201 -12.488 -41.949 1.00 39.70 ? 157 TRP A CE3 1 ATOM 2642 C CZ2 . TRP B 1 142 ? -13.466 -10.462 -42.913 1.00 40.12 ? 157 TRP A CZ2 1 ATOM 2643 C CZ3 . TRP B 1 142 ? -14.053 -12.146 -41.265 1.00 42.15 ? 157 TRP A CZ3 1 ATOM 2644 C CH2 . TRP B 1 142 ? -13.190 -11.141 -41.747 1.00 39.27 ? 157 TRP A CH2 1 ATOM 2645 N N . ASP B 1 143 ? -18.596 -15.727 -43.227 1.00 45.94 ? 158 ASP A N 1 ATOM 2646 C CA . ASP B 1 143 ? -19.787 -16.359 -42.673 1.00 52.05 ? 158 ASP A CA 1 ATOM 2647 C C . ASP B 1 143 ? -20.704 -15.251 -42.110 1.00 52.76 ? 158 ASP A C 1 ATOM 2648 O O . ASP B 1 143 ? -20.279 -14.483 -41.253 1.00 56.03 ? 158 ASP A O 1 ATOM 2649 C CB . ASP B 1 143 ? -19.328 -17.313 -41.576 1.00 55.12 ? 158 ASP A CB 1 ATOM 2650 C CG . ASP B 1 143 ? -20.392 -18.270 -41.137 1.00 59.32 ? 158 ASP A CG 1 ATOM 2651 O OD1 . ASP B 1 143 ? -21.597 -17.993 -41.322 1.00 60.94 ? 158 ASP A OD1 1 ATOM 2652 O OD2 . ASP B 1 143 ? -19.998 -19.311 -40.581 1.00 62.02 ? 158 ASP A OD2 1 ATOM 2653 N N . TRP B 1 144 ? -21.949 -15.170 -42.581 1.00 54.72 ? 159 TRP A N 1 ATOM 2654 C CA . TRP B 1 144 ? -22.858 -14.054 -42.235 1.00 60.85 ? 159 TRP A CA 1 ATOM 2655 C C . TRP B 1 144 ? -24.165 -14.410 -41.480 1.00 73.73 ? 159 TRP A C 1 ATOM 2656 O O . TRP B 1 144 ? -25.213 -13.810 -41.745 1.00 85.53 ? 159 TRP A O 1 ATOM 2657 C CB . TRP B 1 144 ? -23.220 -13.300 -43.520 1.00 58.96 ? 159 TRP A CB 1 ATOM 2658 C CG . TRP B 1 144 ? -22.237 -12.274 -43.943 1.00 55.72 ? 159 TRP A CG 1 ATOM 2659 C CD1 . TRP B 1 144 ? -21.344 -12.376 -44.957 1.00 54.80 ? 159 TRP A CD1 1 ATOM 2660 C CD2 . TRP B 1 144 ? -22.076 -10.963 -43.392 1.00 55.91 ? 159 TRP A CD2 1 ATOM 2661 N NE1 . TRP B 1 144 ? -20.619 -11.214 -45.072 1.00 55.60 ? 159 TRP A NE1 1 ATOM 2662 C CE2 . TRP B 1 144 ? -21.046 -10.331 -44.118 1.00 52.94 ? 159 TRP A CE2 1 ATOM 2663 C CE3 . TRP B 1 144 ? -22.695 -10.264 -42.346 1.00 55.03 ? 159 TRP A CE3 1 ATOM 2664 C CZ2 . TRP B 1 144 ? -20.620 -9.037 -43.838 1.00 50.09 ? 159 TRP A CZ2 1 ATOM 2665 C CZ3 . TRP B 1 144 ? -22.273 -8.972 -42.073 1.00 51.86 ? 159 TRP A CZ3 1 ATOM 2666 C CH2 . TRP B 1 144 ? -21.242 -8.377 -42.813 1.00 52.46 ? 159 TRP A CH2 1 ATOM 2667 N N . SER B 1 145 ? -24.122 -15.318 -40.512 1.00 79.48 ? 160 SER A N 1 ATOM 2668 C CA . SER B 1 145 ? -25.372 -15.774 -39.865 1.00 89.98 ? 160 SER A CA 1 ATOM 2669 C C . SER B 1 145 ? -26.026 -14.805 -38.842 1.00 94.50 ? 160 SER A C 1 ATOM 2670 O O . SER B 1 145 ? -27.255 -14.750 -38.761 1.00 97.22 ? 160 SER A O 1 ATOM 2671 C CB . SER B 1 145 ? -25.157 -17.142 -39.241 1.00 87.93 ? 160 SER A CB 1 ATOM 2672 O OG . SER B 1 145 ? -24.008 -17.098 -38.429 1.00 88.07 ? 160 SER A OG 1 ATOM 2673 N N . GLN B 1 146 ? -25.241 -14.018 -38.105 1.00 96.93 ? 161 GLN A N 1 ATOM 2674 C CA . GLN B 1 146 ? -25.808 -13.128 -37.070 1.00 95.90 ? 161 GLN A CA 1 ATOM 2675 C C . GLN B 1 146 ? -26.110 -11.726 -37.603 1.00 95.22 ? 161 GLN A C 1 ATOM 2676 O O . GLN B 1 146 ? -26.354 -10.802 -36.819 1.00 87.81 ? 161 GLN A O 1 ATOM 2677 C CB . GLN B 1 146 ? -24.867 -12.991 -35.863 1.00 100.04 ? 161 GLN A CB 1 ATOM 2678 C CG . GLN B 1 146 ? -23.944 -14.163 -35.586 1.00 103.42 ? 161 GLN A CG 1 ATOM 2679 C CD . GLN B 1 146 ? -24.633 -15.509 -35.677 1.00 102.57 ? 161 GLN A CD 1 ATOM 2680 O OE1 . GLN B 1 146 ? -25.457 -15.853 -34.836 1.00 102.63 ? 161 GLN A OE1 1 ATOM 2681 N NE2 . GLN B 1 146 ? -24.282 -16.283 -36.680 1.00 102.49 ? 161 GLN A NE2 1 ATOM 2682 N N . GLY B 1 147 ? -26.053 -11.545 -38.923 1.00 92.25 ? 162 GLY A N 1 ATOM 2683 C CA . GLY B 1 147 ? -26.056 -10.207 -39.505 1.00 89.39 ? 162 GLY A CA 1 ATOM 2684 C C . GLY B 1 147 ? -24.745 -9.484 -39.233 1.00 87.48 ? 162 GLY A C 1 ATOM 2685 O O . GLY B 1 147 ? -24.611 -8.296 -39.519 1.00 87.84 ? 162 GLY A O 1 ATOM 2686 N N . LYS B 1 148 ? -23.789 -10.204 -38.661 1.00 76.13 ? 163 LYS A N 1 ATOM 2687 C CA . LYS B 1 148 ? -22.464 -9.717 -38.447 1.00 74.94 ? 163 LYS A CA 1 ATOM 2688 C C . LYS B 1 148 ? -21.625 -10.831 -38.986 1.00 59.19 ? 163 LYS A C 1 ATOM 2689 O O . LYS B 1 148 ? -22.021 -11.996 -38.937 1.00 60.40 ? 163 LYS A O 1 ATOM 2690 C CB . LYS B 1 148 ? -22.203 -9.478 -36.961 1.00 82.54 ? 163 LYS A CB 1 ATOM 2691 C CG . LYS B 1 148 ? -23.219 -8.550 -36.306 1.00 89.76 ? 163 LYS A CG 1 ATOM 2692 C CD . LYS B 1 148 ? -23.354 -7.218 -37.049 1.00 91.53 ? 163 LYS A CD 1 ATOM 2693 C CE . LYS B 1 148 ? -24.402 -6.296 -36.435 1.00 90.04 ? 163 LYS A CE 1 ATOM 2694 N NZ . LYS B 1 148 ? -25.813 -6.774 -36.540 1.00 92.66 ? 163 LYS A NZ 1 ATOM 2695 N N . ASN B 1 149 ? -20.494 -10.455 -39.545 1.00 52.93 ? 164 ASN A N 1 ATOM 2696 C CA . ASN B 1 149 ? -19.611 -11.390 -40.197 1.00 45.67 ? 164 ASN A CA 1 ATOM 2697 C C . ASN B 1 149 ? -18.871 -12.183 -39.153 1.00 46.01 ? 164 ASN A C 1 ATOM 2698 O O . ASN B 1 149 ? -18.503 -11.639 -38.108 1.00 42.31 ? 164 ASN A O 1 ATOM 2699 C CB . ASN B 1 149 ? -18.593 -10.633 -41.039 1.00 46.13 ? 164 ASN A CB 1 ATOM 2700 C CG . ASN B 1 149 ? -17.906 -9.540 -40.243 1.00 43.16 ? 164 ASN A CG 1 ATOM 2701 O OD1 . ASN B 1 149 ? -18.579 -8.717 -39.616 1.00 40.42 ? 164 ASN A OD1 1 ATOM 2702 N ND2 . ASN B 1 149 ? -16.593 -9.556 -40.205 1.00 42.09 ? 164 ASN A ND2 1 ATOM 2703 N N . ARG B 1 150 ? -18.629 -13.454 -39.462 1.00 43.47 ? 165 ARG A N 1 ATOM 2704 C CA . ARG B 1 150 ? -17.770 -14.308 -38.674 1.00 46.70 ? 165 ARG A CA 1 ATOM 2705 C C . ARG B 1 150 ? -16.729 -14.918 -39.576 1.00 41.51 ? 165 ARG A C 1 ATOM 2706 O O . ARG B 1 150 ? -16.940 -15.062 -40.776 1.00 40.50 ? 165 ARG A O 1 ATOM 2707 C CB . ARG B 1 150 ? -18.578 -15.431 -38.037 1.00 55.86 ? 165 ARG A CB 1 ATOM 2708 C CG . ARG B 1 150 ? -19.760 -14.940 -37.223 1.00 62.87 ? 165 ARG A CG 1 ATOM 2709 C CD . ARG B 1 150 ? -20.290 -16.045 -36.318 1.00 74.93 ? 165 ARG A CD 1 ATOM 2710 N NE . ARG B 1 150 ? -21.075 -17.049 -37.047 1.00 83.18 ? 165 ARG A NE 1 ATOM 2711 C CZ . ARG B 1 150 ? -21.432 -18.245 -36.571 1.00 88.02 ? 165 ARG A CZ 1 ATOM 2712 N NH1 . ARG B 1 150 ? -21.079 -18.641 -35.347 1.00 91.93 ? 165 ARG A NH1 1 ATOM 2713 N NH2 . ARG B 1 150 ? -22.154 -19.062 -37.331 1.00 92.44 ? 165 ARG A NH2 1 ATOM 2714 N N . CYS B 1 151 ? -15.624 -15.316 -38.986 1.00 39.63 ? 166 CYS A N 1 ATOM 2715 C CA . CYS B 1 151 ? -14.585 -16.011 -39.723 1.00 44.14 ? 166 CYS A CA 1 ATOM 2716 C C . CYS B 1 151 ? -15.171 -17.318 -40.247 1.00 48.99 ? 166 CYS A C 1 ATOM 2717 O O . CYS B 1 151 ? -15.805 -18.035 -39.479 1.00 50.91 ? 166 CYS A O 1 ATOM 2718 C CB . CYS B 1 151 ? -13.401 -16.290 -38.813 1.00 44.12 ? 166 CYS A CB 1 ATOM 2719 S SG . CYS B 1 151 ? -12.511 -14.782 -38.387 1.00 48.74 ? 166 CYS A SG 1 ATOM 2720 N N . PRO B 1 152 ? -14.986 -17.627 -41.553 1.00 49.87 ? 167 PRO A N 1 ATOM 2721 C CA . PRO B 1 152 ? -15.536 -18.902 -42.035 1.00 50.87 ? 167 PRO A CA 1 ATOM 2722 C C . PRO B 1 152 ? -14.767 -20.103 -41.475 1.00 51.47 ? 167 PRO A C 1 ATOM 2723 O O . PRO B 1 152 ? -13.650 -19.942 -40.973 1.00 45.69 ? 167 PRO A O 1 ATOM 2724 C CB . PRO B 1 152 ? -15.374 -18.809 -43.552 1.00 51.23 ? 167 PRO A CB 1 ATOM 2725 C CG . PRO B 1 152 ? -14.208 -17.902 -43.761 1.00 51.62 ? 167 PRO A CG 1 ATOM 2726 C CD . PRO B 1 152 ? -14.155 -16.965 -42.577 1.00 49.77 ? 167 PRO A CD 1 ATOM 2727 N N . LYS B 1 153 ? -15.379 -21.287 -41.552 1.00 56.72 ? 168 LYS A N 1 ATOM 2728 C CA . LYS B 1 153 ? -14.742 -22.529 -41.091 1.00 57.31 ? 168 LYS A CA 1 ATOM 2729 C C . LYS B 1 153 ? -13.395 -22.705 -41.796 1.00 55.50 ? 168 LYS A C 1 ATOM 2730 O O . LYS B 1 153 ? -13.291 -22.477 -43.007 1.00 55.72 ? 168 LYS A O 1 ATOM 2731 C CB . LYS B 1 153 ? -15.650 -23.729 -41.360 1.00 62.76 ? 168 LYS A CB 1 ATOM 2732 C CG . LYS B 1 153 ? -16.910 -23.753 -40.499 1.00 65.04 ? 168 LYS A CG 1 ATOM 2733 C CD . LYS B 1 153 ? -17.741 -24.991 -40.793 1.00 67.65 ? 168 LYS A CD 1 ATOM 2734 C CE . LYS B 1 153 ? -19.046 -24.977 -40.009 1.00 71.35 ? 168 LYS A CE 1 ATOM 2735 N NZ . LYS B 1 153 ? -19.865 -26.198 -40.292 1.00 75.29 ? 168 LYS A NZ 1 ATOM 2736 N N . GLY B 1 154 ? -12.360 -23.027 -41.021 1.00 54.12 ? 169 GLY A N 1 ATOM 2737 C CA . GLY B 1 154 ? -10.994 -23.172 -41.544 1.00 55.42 ? 169 GLY A CA 1 ATOM 2738 C C . GLY B 1 154 ? -10.138 -21.910 -41.663 1.00 56.43 ? 169 GLY A C 1 ATOM 2739 O O . GLY B 1 154 ? -8.933 -22.011 -41.902 1.00 58.47 ? 169 GLY A O 1 ATOM 2740 N N . ALA B 1 155 ? -10.737 -20.725 -41.511 1.00 54.75 ? 170 ALA A N 1 ATOM 2741 C CA . ALA B 1 155 ? -9.985 -19.467 -41.544 1.00 50.87 ? 170 ALA A CA 1 ATOM 2742 C C . ALA B 1 155 ? -9.399 -19.186 -40.156 1.00 51.65 ? 170 ALA A C 1 ATOM 2743 O O . ALA B 1 155 ? -10.112 -18.743 -39.256 1.00 50.55 ? 170 ALA A O 1 ATOM 2744 C CB . ALA B 1 155 ? -10.886 -18.330 -41.986 1.00 50.66 ? 170 ALA A CB 1 ATOM 2745 N N . GLN B 1 156 ? -8.108 -19.469 -40.000 1.00 47.64 ? 171 GLN A N 1 ATOM 2746 C CA . GLN B 1 156 ? -7.379 -19.292 -38.744 1.00 47.48 ? 171 GLN A CA 1 ATOM 2747 C C . GLN B 1 156 ? -7.148 -17.826 -38.407 1.00 44.30 ? 171 GLN A C 1 ATOM 2748 O O . GLN B 1 156 ? -6.707 -17.076 -39.251 1.00 40.28 ? 171 GLN A O 1 ATOM 2749 C CB . GLN B 1 156 ? -5.989 -19.885 -38.858 1.00 51.78 ? 171 GLN A CB 1 ATOM 2750 C CG . GLN B 1 156 ? -5.874 -21.366 -38.692 1.00 60.36 ? 171 GLN A CG 1 ATOM 2751 C CD . GLN B 1 156 ? -4.493 -21.683 -38.182 1.00 67.39 ? 171 GLN A CD 1 ATOM 2752 O OE1 . GLN B 1 156 ? -3.524 -21.677 -38.945 1.00 74.76 ? 171 GLN A OE1 1 ATOM 2753 N NE2 . GLN B 1 156 ? -4.377 -21.877 -36.878 1.00 69.73 ? 171 GLN A NE2 1 ATOM 2754 N N . CYS B 1 157 ? -7.387 -17.455 -37.155 1.00 42.35 ? 172 CYS A N 1 ATOM 2755 C CA . CYS B 1 157 ? -7.041 -16.135 -36.658 1.00 44.01 ? 172 CYS A CA 1 ATOM 2756 C C . CYS B 1 157 ? -5.535 -16.043 -36.468 1.00 42.70 ? 172 CYS A C 1 ATOM 2757 O O . CYS B 1 157 ? -4.964 -16.790 -35.675 1.00 41.73 ? 172 CYS A O 1 ATOM 2758 C CB . CYS B 1 157 ? -7.775 -15.825 -35.351 1.00 42.93 ? 172 CYS A CB 1 ATOM 2759 S SG . CYS B 1 157 ? -9.523 -15.475 -35.636 1.00 43.97 ? 172 CYS A SG 1 ATOM 2760 N N . LEU B 1 158 ? -4.907 -15.140 -37.222 1.00 38.61 ? 173 LEU A N 1 ATOM 2761 C CA . LEU B 1 158 ? -3.463 -14.945 -37.175 1.00 40.31 ? 173 LEU A CA 1 ATOM 2762 C C . LEU B 1 158 ? -3.135 -13.458 -37.168 1.00 40.43 ? 173 LEU A C 1 ATOM 2763 O O . LEU B 1 158 ? -4.016 -12.621 -37.391 1.00 37.08 ? 173 LEU A O 1 ATOM 2764 C CB . LEU B 1 158 ? -2.805 -15.640 -38.368 1.00 42.65 ? 173 LEU A CB 1 ATOM 2765 C CG . LEU B 1 158 ? -3.142 -17.129 -38.497 1.00 45.84 ? 173 LEU A CG 1 ATOM 2766 C CD1 . LEU B 1 158 ? -2.660 -17.681 -39.826 1.00 46.65 ? 173 LEU A CD1 1 ATOM 2767 C CD2 . LEU B 1 158 ? -2.546 -17.943 -37.356 1.00 48.87 ? 173 LEU A CD2 1 ATOM 2768 N N . PRO B 1 159 ? -1.863 -13.114 -36.913 1.00 40.47 ? 174 PRO A N 1 ATOM 2769 C CA . PRO B 1 159 ? -1.553 -11.696 -36.922 1.00 39.36 ? 174 PRO A CA 1 ATOM 2770 C C . PRO B 1 159 ? -1.850 -11.024 -38.257 1.00 37.54 ? 174 PRO A C 1 ATOM 2771 O O . PRO B 1 159 ? -1.766 -11.655 -39.317 1.00 35.63 ? 174 PRO A O 1 ATOM 2772 C CB . PRO B 1 159 ? -0.054 -11.669 -36.620 1.00 41.11 ? 174 PRO A CB 1 ATOM 2773 C CG . PRO B 1 159 ? 0.178 -12.899 -35.816 1.00 41.64 ? 174 PRO A CG 1 ATOM 2774 C CD . PRO B 1 159 ? -0.692 -13.915 -36.504 1.00 41.29 ? 174 PRO A CD 1 ATOM 2775 N N . PHE B 1 160 ? -2.228 -9.751 -38.197 1.00 34.23 ? 175 PHE A N 1 ATOM 2776 C CA . PHE B 1 160 ? -2.408 -8.966 -39.409 1.00 33.39 ? 175 PHE A CA 1 ATOM 2777 C C . PHE B 1 160 ? -1.209 -9.111 -40.344 1.00 35.65 ? 175 PHE A C 1 ATOM 2778 O O . PHE B 1 160 ? -1.388 -9.333 -41.533 1.00 35.22 ? 175 PHE A O 1 ATOM 2779 C CB . PHE B 1 160 ? -2.609 -7.483 -39.091 1.00 31.68 ? 175 PHE A CB 1 ATOM 2780 C CG . PHE B 1 160 ? -4.058 -7.074 -38.959 1.00 33.56 ? 175 PHE A CG 1 ATOM 2781 C CD1 . PHE B 1 160 ? -4.890 -7.657 -38.011 1.00 32.74 ? 175 PHE A CD1 1 ATOM 2782 C CD2 . PHE B 1 160 ? -4.573 -6.076 -39.765 1.00 34.51 ? 175 PHE A CD2 1 ATOM 2783 C CE1 . PHE B 1 160 ? -6.219 -7.254 -37.879 1.00 34.52 ? 175 PHE A CE1 1 ATOM 2784 C CE2 . PHE B 1 160 ? -5.896 -5.677 -39.641 1.00 34.90 ? 175 PHE A CE2 1 ATOM 2785 C CZ . PHE B 1 160 ? -6.719 -6.259 -38.699 1.00 31.88 ? 175 PHE A CZ 1 ATOM 2786 N N . SER B 1 161 ? 0.002 -8.997 -39.803 1.00 35.63 ? 176 SER A N 1 ATOM 2787 C CA . SER B 1 161 ? 1.212 -9.142 -40.623 1.00 39.85 ? 176 SER A CA 1 ATOM 2788 C C . SER B 1 161 ? 1.259 -10.473 -41.379 1.00 39.20 ? 176 SER A C 1 ATOM 2789 O O . SER B 1 161 ? 1.922 -10.549 -42.382 1.00 40.62 ? 176 SER A O 1 ATOM 2790 C CB . SER B 1 161 ? 2.466 -8.963 -39.766 1.00 41.01 ? 176 SER A CB 1 ATOM 2791 O OG . SER B 1 161 ? 2.402 -9.806 -38.625 1.00 43.92 ? 176 SER A OG 1 ATOM 2792 N N . HIS B 1 162 ? 0.545 -11.509 -40.925 1.00 40.91 ? 177 HIS A N 1 ATOM 2793 C CA . HIS B 1 162 ? 0.420 -12.746 -41.720 1.00 42.55 ? 177 HIS A CA 1 ATOM 2794 C C . HIS B 1 162 ? -0.487 -12.578 -42.933 1.00 41.20 ? 177 HIS A C 1 ATOM 2795 O O . HIS B 1 162 ? -0.121 -12.951 -44.027 1.00 44.62 ? 177 HIS A O 1 ATOM 2796 C CB . HIS B 1 162 ? -0.080 -13.943 -40.883 1.00 45.54 ? 177 HIS A CB 1 ATOM 2797 C CG . HIS B 1 162 ? -0.381 -15.168 -41.706 1.00 52.22 ? 177 HIS A CG 1 ATOM 2798 N ND1 . HIS B 1 162 ? 0.603 -16.028 -42.150 1.00 56.01 ? 177 HIS A ND1 1 ATOM 2799 C CD2 . HIS B 1 162 ? -1.551 -15.655 -42.192 1.00 53.11 ? 177 HIS A CD2 1 ATOM 2800 C CE1 . HIS B 1 162 ? 0.053 -17.000 -42.859 1.00 54.68 ? 177 HIS A CE1 1 ATOM 2801 N NE2 . HIS B 1 162 ? -1.253 -16.798 -42.900 1.00 56.98 ? 177 HIS A NE2 1 ATOM 2802 N N . TYR B 1 163 ? -1.703 -12.095 -42.725 1.00 38.39 ? 178 TYR A N 1 ATOM 2803 C CA . TYR B 1 163 ? -2.660 -11.987 -43.825 1.00 38.18 ? 178 TYR A CA 1 ATOM 2804 C C . TYR B 1 163 ? -2.454 -10.763 -44.721 1.00 38.63 ? 178 TYR A C 1 ATOM 2805 O O . TYR B 1 163 ? -2.926 -10.746 -45.844 1.00 35.87 ? 178 TYR A O 1 ATOM 2806 C CB . TYR B 1 163 ? -4.078 -11.952 -43.283 1.00 39.18 ? 178 TYR A CB 1 ATOM 2807 C CG . TYR B 1 163 ? -4.583 -13.306 -42.858 1.00 38.49 ? 178 TYR A CG 1 ATOM 2808 C CD1 . TYR B 1 163 ? -4.684 -13.645 -41.518 1.00 36.69 ? 178 TYR A CD1 1 ATOM 2809 C CD2 . TYR B 1 163 ? -4.967 -14.245 -43.810 1.00 40.97 ? 178 TYR A CD2 1 ATOM 2810 C CE1 . TYR B 1 163 ? -5.166 -14.886 -41.134 1.00 38.73 ? 178 TYR A CE1 1 ATOM 2811 C CE2 . TYR B 1 163 ? -5.446 -15.484 -43.445 1.00 40.56 ? 178 TYR A CE2 1 ATOM 2812 C CZ . TYR B 1 163 ? -5.541 -15.807 -42.104 1.00 41.77 ? 178 TYR A CZ 1 ATOM 2813 O OH . TYR B 1 163 ? -6.040 -17.042 -41.744 1.00 39.58 ? 178 TYR A OH 1 ATOM 2814 N N . PHE B 1 164 ? -1.794 -9.732 -44.198 1.00 35.36 ? 179 PHE A N 1 ATOM 2815 C CA . PHE B 1 164 ? -1.476 -8.522 -44.940 1.00 34.04 ? 179 PHE A CA 1 ATOM 2816 C C . PHE B 1 164 ? 0.030 -8.378 -44.889 1.00 33.41 ? 179 PHE A C 1 ATOM 2817 O O . PHE B 1 164 ? 0.550 -7.650 -44.045 1.00 32.43 ? 179 PHE A O 1 ATOM 2818 C CB . PHE B 1 164 ? -2.168 -7.321 -44.302 1.00 34.33 ? 179 PHE A CB 1 ATOM 2819 C CG . PHE B 1 164 ? -3.663 -7.405 -44.338 1.00 33.45 ? 179 PHE A CG 1 ATOM 2820 C CD1 . PHE B 1 164 ? -4.394 -7.547 -43.169 1.00 35.64 ? 179 PHE A CD1 1 ATOM 2821 C CD2 . PHE B 1 164 ? -4.341 -7.344 -45.544 1.00 33.64 ? 179 PHE A CD2 1 ATOM 2822 C CE1 . PHE B 1 164 ? -5.781 -7.618 -43.197 1.00 34.73 ? 179 PHE A CE1 1 ATOM 2823 C CE2 . PHE B 1 164 ? -5.727 -7.411 -45.591 1.00 33.12 ? 179 PHE A CE2 1 ATOM 2824 C CZ . PHE B 1 164 ? -6.452 -7.562 -44.414 1.00 34.39 ? 179 PHE A CZ 1 ATOM 2825 N N . PRO B 1 165 ? 0.742 -9.094 -45.783 1.00 34.22 ? 180 PRO A N 1 ATOM 2826 C CA . PRO B 1 165 ? 2.206 -9.086 -45.681 1.00 35.86 ? 180 PRO A CA 1 ATOM 2827 C C . PRO B 1 165 ? 2.786 -7.692 -45.779 1.00 35.47 ? 180 PRO A C 1 ATOM 2828 O O . PRO B 1 165 ? 3.784 -7.421 -45.128 1.00 39.50 ? 180 PRO A O 1 ATOM 2829 C CB . PRO B 1 165 ? 2.670 -9.961 -46.858 1.00 36.53 ? 180 PRO A CB 1 ATOM 2830 C CG . PRO B 1 165 ? 1.488 -10.764 -47.253 1.00 36.74 ? 180 PRO A CG 1 ATOM 2831 C CD . PRO B 1 165 ? 0.261 -9.998 -46.838 1.00 34.46 ? 180 PRO A CD 1 ATOM 2832 N N . THR B 1 166 ? 2.161 -6.806 -46.559 1.00 33.44 ? 181 THR A N 1 ATOM 2833 C CA . THR B 1 166 ? 2.664 -5.441 -46.690 1.00 33.98 ? 181 THR A CA 1 ATOM 2834 C C . THR B 1 166 ? 1.596 -4.383 -46.390 1.00 32.60 ? 181 THR A C 1 ATOM 2835 O O . THR B 1 166 ? 0.390 -4.657 -46.489 1.00 32.08 ? 181 THR A O 1 ATOM 2836 C CB . THR B 1 166 ? 3.210 -5.172 -48.112 1.00 33.69 ? 181 THR A CB 1 ATOM 2837 O OG1 . THR B 1 166 ? 2.116 -5.052 -49.016 1.00 31.87 ? 181 THR A OG1 1 ATOM 2838 C CG2 . THR B 1 166 ? 4.122 -6.303 -48.587 1.00 35.88 ? 181 THR A CG2 1 ATOM 2839 N N . PRO B 1 167 ? 2.037 -3.148 -46.085 1.00 33.04 ? 182 PRO A N 1 ATOM 2840 C CA . PRO B 1 167 ? 1.101 -2.021 -45.929 1.00 31.79 ? 182 PRO A CA 1 ATOM 2841 C C . PRO B 1 167 ? 0.129 -1.864 -47.105 1.00 30.66 ? 182 PRO A C 1 ATOM 2842 O O . PRO B 1 167 ? -1.085 -1.680 -46.891 1.00 30.78 ? 182 PRO A O 1 ATOM 2843 C CB . PRO B 1 167 ? 2.051 -0.817 -45.795 1.00 33.36 ? 182 PRO A CB 1 ATOM 2844 C CG . PRO B 1 167 ? 3.250 -1.399 -45.116 1.00 33.83 ? 182 PRO A CG 1 ATOM 2845 C CD . PRO B 1 167 ? 3.425 -2.742 -45.758 1.00 32.63 ? 182 PRO A CD 1 ATOM 2846 N N . ALA B 1 168 ? 0.632 -2.000 -48.333 1.00 29.00 ? 183 ALA A N 1 ATOM 2847 C CA . ALA B 1 168 ? -0.234 -1.945 -49.518 1.00 28.76 ? 183 ALA A CA 1 ATOM 2848 C C . ALA B 1 168 ? -1.338 -2.971 -49.450 1.00 29.53 ? 183 ALA A C 1 ATOM 2849 O O . ALA B 1 168 ? -2.466 -2.663 -49.772 1.00 31.50 ? 183 ALA A O 1 ATOM 2850 C CB . ALA B 1 168 ? 0.557 -2.118 -50.815 1.00 30.24 ? 183 ALA A CB 1 ATOM 2851 N N . ASP B 1 169 ? -1.032 -4.186 -49.010 1.00 32.10 ? 184 ASP A N 1 ATOM 2852 C CA . ASP B 1 169 ? -2.070 -5.221 -48.895 1.00 32.03 ? 184 ASP A CA 1 ATOM 2853 C C . ASP B 1 169 ? -3.201 -4.758 -47.976 1.00 30.59 ? 184 ASP A C 1 ATOM 2854 O O . ASP B 1 169 ? -4.396 -4.892 -48.302 1.00 27.67 ? 184 ASP A O 1 ATOM 2855 C CB . ASP B 1 169 ? -1.485 -6.533 -48.365 1.00 33.01 ? 184 ASP A CB 1 ATOM 2856 C CG . ASP B 1 169 ? -0.475 -7.151 -49.322 1.00 36.73 ? 184 ASP A CG 1 ATOM 2857 O OD1 . ASP B 1 169 ? -0.831 -7.387 -50.490 1.00 36.23 ? 184 ASP A OD1 1 ATOM 2858 O OD2 . ASP B 1 169 ? 0.679 -7.377 -48.901 1.00 41.60 ? 184 ASP A OD2 1 ATOM 2859 N N . LEU B 1 170 ? -2.806 -4.176 -46.847 1.00 29.32 ? 185 LEU A N 1 ATOM 2860 C CA . LEU B 1 170 ? -3.759 -3.726 -45.845 1.00 29.07 ? 185 LEU A CA 1 ATOM 2861 C C . LEU B 1 170 ? -4.632 -2.588 -46.358 1.00 29.59 ? 185 LEU A C 1 ATOM 2862 O O . LEU B 1 170 ? -5.859 -2.709 -46.314 1.00 26.87 ? 185 LEU A O 1 ATOM 2863 C CB . LEU B 1 170 ? -3.032 -3.345 -44.556 1.00 32.13 ? 185 LEU A CB 1 ATOM 2864 C CG . LEU B 1 170 ? -3.871 -2.777 -43.405 1.00 31.69 ? 185 LEU A CG 1 ATOM 2865 C CD1 . LEU B 1 170 ? -4.923 -3.773 -43.050 1.00 36.55 ? 185 LEU A CD1 1 ATOM 2866 C CD2 . LEU B 1 170 ? -3.020 -2.574 -42.181 1.00 35.48 ? 185 LEU A CD2 1 ATOM 2867 N N . CYS B 1 171 ? -4.007 -1.519 -46.885 1.00 29.44 ? 186 CYS A N 1 ATOM 2868 C CA . CYS B 1 171 ? -4.727 -0.351 -47.454 1.00 32.00 ? 186 CYS A CA 1 ATOM 2869 C C . CYS B 1 171 ? -5.692 -0.753 -48.545 1.00 30.32 ? 186 CYS A C 1 ATOM 2870 O O . CYS B 1 171 ? -6.798 -0.236 -48.617 1.00 30.65 ? 186 CYS A O 1 ATOM 2871 C CB . CYS B 1 171 ? -3.750 0.712 -48.041 1.00 35.74 ? 186 CYS A CB 1 ATOM 2872 S SG . CYS B 1 171 ? -3.317 1.942 -46.798 1.00 50.90 ? 186 CYS A SG 1 ATOM 2873 N N . GLU B 1 172 ? -5.250 -1.644 -49.416 1.00 28.01 ? 187 GLU A N 1 ATOM 2874 C CA . GLU B 1 172 ? -6.031 -1.982 -50.607 1.00 31.91 ? 187 GLU A CA 1 ATOM 2875 C C . GLU B 1 172 ? -7.124 -3.028 -50.391 1.00 28.12 ? 187 GLU A C 1 ATOM 2876 O O . GLU B 1 172 ? -8.210 -2.905 -50.967 1.00 32.56 ? 187 GLU A O 1 ATOM 2877 C CB . GLU B 1 172 ? -5.090 -2.387 -51.749 1.00 31.02 ? 187 GLU A CB 1 ATOM 2878 C CG . GLU B 1 172 ? -4.247 -1.184 -52.174 1.00 33.68 ? 187 GLU A CG 1 ATOM 2879 C CD . GLU B 1 172 ? -3.211 -1.464 -53.236 1.00 35.36 ? 187 GLU A CD 1 ATOM 2880 O OE1 . GLU B 1 172 ? -3.047 -2.637 -53.589 1.00 36.17 ? 187 GLU A OE1 1 ATOM 2881 O OE2 . GLU B 1 172 ? -2.562 -0.488 -53.715 1.00 36.53 ? 187 GLU A OE2 1 ATOM 2882 N N . LYS B 1 173 ? -6.843 -4.049 -49.587 1.00 28.02 ? 188 LYS A N 1 ATOM 2883 C CA . LYS B 1 173 ? -7.759 -5.193 -49.460 1.00 33.65 ? 188 LYS A CA 1 ATOM 2884 C C . LYS B 1 173 ? -8.684 -5.148 -48.253 1.00 34.49 ? 188 LYS A C 1 ATOM 2885 O O . LYS B 1 173 ? -9.417 -6.089 -48.030 1.00 40.75 ? 188 LYS A O 1 ATOM 2886 C CB . LYS B 1 173 ? -6.966 -6.501 -49.423 1.00 35.91 ? 188 LYS A CB 1 ATOM 2887 C CG . LYS B 1 173 ? -6.258 -6.802 -50.729 1.00 38.84 ? 188 LYS A CG 1 ATOM 2888 C CD . LYS B 1 173 ? -5.354 -8.013 -50.631 1.00 42.93 ? 188 LYS A CD 1 ATOM 2889 C CE . LYS B 1 173 ? -4.213 -7.881 -51.623 1.00 48.78 ? 188 LYS A CE 1 ATOM 2890 N NZ . LYS B 1 173 ? -3.487 -9.169 -51.774 1.00 58.04 ? 188 LYS A NZ 1 ATOM 2891 N N . THR B 1 174 ? -8.603 -4.132 -47.409 1.00 30.91 ? 189 THR A N 1 ATOM 2892 C CA . THR B 1 174 ? -9.595 -4.022 -46.329 1.00 29.44 ? 189 THR A CA 1 ATOM 2893 C C . THR B 1 174 ? -10.782 -3.248 -46.805 1.00 29.34 ? 189 THR A C 1 ATOM 2894 O O . THR B 1 174 ? -11.872 -3.401 -46.247 1.00 31.43 ? 189 THR A O 1 ATOM 2895 C CB . THR B 1 174 ? -9.025 -3.349 -45.068 1.00 29.93 ? 189 THR A CB 1 ATOM 2896 O OG1 . THR B 1 174 ? -8.440 -2.087 -45.403 1.00 28.16 ? 189 THR A OG1 1 ATOM 2897 C CG2 . THR B 1 174 ? -7.969 -4.239 -44.462 1.00 29.03 ? 189 THR A CG2 1 ATOM 2898 N N . TRP B 1 175 ? -10.595 -2.413 -47.827 1.00 27.96 ? 190 TRP A N 1 ATOM 2899 C CA . TRP B 1 175 ? -11.662 -1.527 -48.299 1.00 27.94 ? 190 TRP A CA 1 ATOM 2900 C C . TRP B 1 175 ? -11.989 -1.737 -49.784 1.00 27.01 ? 190 TRP A C 1 ATOM 2901 O O . TRP B 1 175 ? -12.493 -0.822 -50.457 1.00 26.51 ? 190 TRP A O 1 ATOM 2902 C CB . TRP B 1 175 ? -11.248 -0.076 -48.030 1.00 28.61 ? 190 TRP A CB 1 ATOM 2903 C CG . TRP B 1 175 ? -11.587 0.430 -46.692 1.00 28.41 ? 190 TRP A CG 1 ATOM 2904 C CD1 . TRP B 1 175 ? -10.871 0.291 -45.541 1.00 28.11 ? 190 TRP A CD1 1 ATOM 2905 C CD2 . TRP B 1 175 ? -12.737 1.204 -46.366 1.00 30.25 ? 190 TRP A CD2 1 ATOM 2906 N NE1 . TRP B 1 175 ? -11.529 0.906 -44.500 1.00 30.35 ? 190 TRP A NE1 1 ATOM 2907 C CE2 . TRP B 1 175 ? -12.672 1.489 -44.990 1.00 29.49 ? 190 TRP A CE2 1 ATOM 2908 C CE3 . TRP B 1 175 ? -13.832 1.660 -47.105 1.00 30.29 ? 190 TRP A CE3 1 ATOM 2909 C CZ2 . TRP B 1 175 ? -13.666 2.215 -44.336 1.00 31.30 ? 190 TRP A CZ2 1 ATOM 2910 C CZ3 . TRP B 1 175 ? -14.813 2.386 -46.456 1.00 30.66 ? 190 TRP A CZ3 1 ATOM 2911 C CH2 . TRP B 1 175 ? -14.717 2.662 -45.085 1.00 30.38 ? 190 TRP A CH2 1 ATOM 2912 N N . SER B 1 176 ? -11.716 -2.933 -50.295 1.00 26.22 ? 191 SER A N 1 ATOM 2913 C CA . SER B 1 176 ? -12.185 -3.357 -51.622 1.00 27.26 ? 191 SER A CA 1 ATOM 2914 C C . SER B 1 176 ? -11.747 -2.418 -52.757 1.00 26.54 ? 191 SER A C 1 ATOM 2915 O O . SER B 1 176 ? -12.543 -2.043 -53.637 1.00 23.66 ? 191 SER A O 1 ATOM 2916 C CB . SER B 1 176 ? -13.714 -3.534 -51.596 1.00 31.29 ? 191 SER A CB 1 ATOM 2917 O OG . SER B 1 176 ? -14.204 -3.959 -52.882 1.00 37.89 ? 191 SER A OG 1 ATOM 2918 N N . ASN B 1 177 ? -10.461 -2.053 -52.732 1.00 25.39 ? 192 ASN A N 1 ATOM 2919 C CA . ASN B 1 177 ? -9.854 -1.144 -53.717 1.00 26.70 ? 192 ASN A CA 1 ATOM 2920 C C . ASN B 1 177 ? -10.437 0.282 -53.775 1.00 25.75 ? 192 ASN A C 1 ATOM 2921 O O . ASN B 1 177 ? -10.260 0.971 -54.778 1.00 25.58 ? 192 ASN A O 1 ATOM 2922 C CB . ASN B 1 177 ? -9.822 -1.779 -55.121 1.00 29.97 ? 192 ASN A CB 1 ATOM 2923 C CG . ASN B 1 177 ? -9.105 -3.131 -55.136 1.00 33.47 ? 192 ASN A CG 1 ATOM 2924 O OD1 . ASN B 1 177 ? -7.902 -3.212 -54.928 1.00 37.01 ? 192 ASN A OD1 1 ATOM 2925 N ND2 . ASN B 1 177 ? -9.859 -4.190 -55.327 1.00 36.68 ? 192 ASN A ND2 1 ATOM 2926 N N . SER B 1 178 ? -11.138 0.716 -52.720 1.00 24.77 ? 193 SER A N 1 ATOM 2927 C CA . SER B 1 178 ? -11.461 2.121 -52.524 1.00 23.60 ? 193 SER A CA 1 ATOM 2928 C C . SER B 1 178 ? -10.171 2.936 -52.447 1.00 24.22 ? 193 SER A C 1 ATOM 2929 O O . SER B 1 178 ? -10.117 4.050 -52.954 1.00 23.24 ? 193 SER A O 1 ATOM 2930 C CB . SER B 1 178 ? -12.274 2.309 -51.239 1.00 26.18 ? 193 SER A CB 1 ATOM 2931 O OG . SER B 1 178 ? -13.576 1.780 -51.386 1.00 27.13 ? 193 SER A OG 1 ATOM 2932 N N . PHE B 1 179 ? -9.145 2.347 -51.836 1.00 21.49 ? 194 PHE A N 1 ATOM 2933 C CA . PHE B 1 179 ? -7.856 2.994 -51.664 1.00 23.16 ? 194 PHE A CA 1 ATOM 2934 C C . PHE B 1 179 ? -6.795 2.249 -52.441 1.00 22.73 ? 194 PHE A C 1 ATOM 2935 O O . PHE B 1 179 ? -6.839 1.022 -52.573 1.00 21.80 ? 194 PHE A O 1 ATOM 2936 C CB . PHE B 1 179 ? -7.466 3.034 -50.179 1.00 22.37 ? 194 PHE A CB 1 ATOM 2937 C CG . PHE B 1 179 ? -8.569 3.532 -49.260 1.00 24.69 ? 194 PHE A CG 1 ATOM 2938 C CD1 . PHE B 1 179 ? -9.337 4.651 -49.584 1.00 23.52 ? 194 PHE A CD1 1 ATOM 2939 C CD2 . PHE B 1 179 ? -8.812 2.895 -48.042 1.00 25.42 ? 194 PHE A CD2 1 ATOM 2940 C CE1 . PHE B 1 179 ? -10.322 5.117 -48.719 1.00 24.89 ? 194 PHE A CE1 1 ATOM 2941 C CE2 . PHE B 1 179 ? -9.792 3.349 -47.179 1.00 27.14 ? 194 PHE A CE2 1 ATOM 2942 C CZ . PHE B 1 179 ? -10.561 4.458 -47.519 1.00 25.50 ? 194 PHE A CZ 1 ATOM 2943 N N . LYS B 1 180 ? -5.835 3.015 -52.929 1.00 25.51 ? 195 LYS A N 1 ATOM 2944 C CA . LYS B 1 180 ? -4.574 2.519 -53.477 1.00 28.18 ? 195 LYS A CA 1 ATOM 2945 C C . LYS B 1 180 ? -3.431 2.979 -52.584 1.00 28.72 ? 195 LYS A C 1 ATOM 2946 O O . LYS B 1 180 ? -3.435 4.112 -52.128 1.00 29.23 ? 195 LYS A O 1 ATOM 2947 C CB . LYS B 1 180 ? -4.381 3.117 -54.872 1.00 32.64 ? 195 LYS A CB 1 ATOM 2948 C CG . LYS B 1 180 ? -3.031 2.819 -55.511 1.00 37.56 ? 195 LYS A CG 1 ATOM 2949 C CD . LYS B 1 180 ? -3.086 2.911 -57.031 1.00 45.01 ? 195 LYS A CD 1 ATOM 2950 C CE . LYS B 1 180 ? -3.390 4.313 -57.541 1.00 52.72 ? 195 LYS A CE 1 ATOM 2951 N NZ . LYS B 1 180 ? -2.217 5.235 -57.590 1.00 61.45 ? 195 LYS A NZ 1 ATOM 2952 N N . ALA B 1 181 ? -2.453 2.118 -52.348 1.00 28.00 ? 196 ALA A N 1 ATOM 2953 C CA . ALA B 1 181 ? -1.266 2.496 -51.607 1.00 31.29 ? 196 ALA A CA 1 ATOM 2954 C C . ALA B 1 181 ? -0.309 3.244 -52.544 1.00 33.52 ? 196 ALA A C 1 ATOM 2955 O O . ALA B 1 181 ? 0.345 2.644 -53.376 1.00 32.08 ? 196 ALA A O 1 ATOM 2956 C CB . ALA B 1 181 ? -0.599 1.267 -51.032 1.00 32.77 ? 196 ALA A CB 1 ATOM 2957 N N . SER B 1 182 ? -0.254 4.564 -52.422 1.00 33.53 ? 197 SER A N 1 ATOM 2958 C CA . SER B 1 182 ? 0.619 5.357 -53.260 1.00 31.32 ? 197 SER A CA 1 ATOM 2959 C C . SER B 1 182 ? 2.076 5.151 -52.861 1.00 32.46 ? 197 SER A C 1 ATOM 2960 O O . SER B 1 182 ? 2.386 5.047 -51.673 1.00 29.94 ? 197 SER A O 1 ATOM 2961 C CB . SER B 1 182 ? 0.283 6.839 -53.123 1.00 33.79 ? 197 SER A CB 1 ATOM 2962 O OG . SER B 1 182 ? 1.105 7.624 -53.977 1.00 34.94 ? 197 SER A OG 1 ATOM 2963 N N . PRO B 1 183 ? 2.981 5.135 -53.851 1.00 35.51 ? 198 PRO A N 1 ATOM 2964 C CA . PRO B 1 183 ? 4.402 5.215 -53.519 1.00 36.44 ? 198 PRO A CA 1 ATOM 2965 C C . PRO B 1 183 ? 4.857 6.648 -53.110 1.00 35.83 ? 198 PRO A C 1 ATOM 2966 O O . PRO B 1 183 ? 5.949 6.816 -52.586 1.00 40.88 ? 198 PRO A O 1 ATOM 2967 C CB . PRO B 1 183 ? 5.077 4.750 -54.814 1.00 38.76 ? 198 PRO A CB 1 ATOM 2968 C CG . PRO B 1 183 ? 4.143 5.157 -55.893 1.00 38.00 ? 198 PRO A CG 1 ATOM 2969 C CD . PRO B 1 183 ? 2.758 5.040 -55.308 1.00 36.17 ? 198 PRO A CD 1 ATOM 2970 N N . GLU B 1 184 ? 4.017 7.654 -53.332 1.00 34.11 ? 199 GLU A N 1 ATOM 2971 C CA . GLU B 1 184 ? 4.279 9.022 -52.879 1.00 35.06 ? 199 GLU A CA 1 ATOM 2972 C C . GLU B 1 184 ? 4.038 9.175 -51.369 1.00 35.54 ? 199 GLU A C 1 ATOM 2973 O O . GLU B 1 184 ? 3.224 8.440 -50.764 1.00 27.23 ? 199 GLU A O 1 ATOM 2974 C CB . GLU B 1 184 ? 3.398 10.011 -53.663 1.00 35.21 ? 199 GLU A CB 1 ATOM 2975 C CG . GLU B 1 184 ? 3.617 9.947 -55.190 1.00 38.68 ? 199 GLU A CG 1 ATOM 2976 C CD . GLU B 1 184 ? 4.802 10.761 -55.670 1.00 41.05 ? 199 GLU A CD 1 ATOM 2977 O OE1 . GLU B 1 184 ? 4.975 10.890 -56.902 1.00 47.18 ? 199 GLU A OE1 1 ATOM 2978 O OE2 . GLU B 1 184 ? 5.558 11.294 -54.831 1.00 43.88 ? 199 GLU A OE2 1 ATOM 2979 N N . ARG B 1 185 ? 4.769 10.120 -50.776 1.00 33.80 ? 200 ARG A N 1 ATOM 2980 C CA . ARG B 1 185 ? 4.712 10.380 -49.334 1.00 34.63 ? 200 ARG A CA 1 ATOM 2981 C C . ARG B 1 185 ? 3.905 11.628 -49.016 1.00 30.95 ? 200 ARG A C 1 ATOM 2982 O O . ARG B 1 185 ? 3.507 12.393 -49.898 1.00 29.38 ? 200 ARG A O 1 ATOM 2983 C CB . ARG B 1 185 ? 6.113 10.505 -48.758 1.00 39.86 ? 200 ARG A CB 1 ATOM 2984 C CG . ARG B 1 185 ? 7.042 9.374 -49.181 1.00 45.15 ? 200 ARG A CG 1 ATOM 2985 C CD . ARG B 1 185 ? 8.277 9.294 -48.304 1.00 49.89 ? 200 ARG A CD 1 ATOM 2986 N NE . ARG B 1 185 ? 8.050 8.320 -47.240 1.00 58.03 ? 200 ARG A NE 1 ATOM 2987 C CZ . ARG B 1 185 ? 8.098 8.539 -45.926 1.00 61.50 ? 200 ARG A CZ 1 ATOM 2988 N NH1 . ARG B 1 185 ? 8.410 9.731 -45.413 1.00 67.07 ? 200 ARG A NH1 1 ATOM 2989 N NH2 . ARG B 1 185 ? 7.842 7.522 -45.105 1.00 61.50 ? 200 ARG A NH2 1 ATOM 2990 N N . ARG B 1 186 ? 3.644 11.819 -47.744 1.00 29.66 ? 201 ARG A N 1 ATOM 2991 C CA . ARG B 1 186 ? 2.874 12.965 -47.300 1.00 31.87 ? 201 ARG A CA 1 ATOM 2992 C C . ARG B 1 186 ? 3.604 14.240 -47.710 1.00 34.27 ? 201 ARG A C 1 ATOM 2993 O O . ARG B 1 186 ? 4.834 14.242 -47.791 1.00 32.56 ? 201 ARG A O 1 ATOM 2994 C CB . ARG B 1 186 ? 2.709 12.929 -45.788 1.00 31.96 ? 201 ARG A CB 1 ATOM 2995 C CG . ARG B 1 186 ? 1.558 12.055 -45.321 1.00 34.10 ? 201 ARG A CG 1 ATOM 2996 C CD . ARG B 1 186 ? 1.531 12.062 -43.819 1.00 34.62 ? 201 ARG A CD 1 ATOM 2997 N NE . ARG B 1 186 ? 0.394 11.326 -43.340 1.00 34.84 ? 201 ARG A NE 1 ATOM 2998 C CZ . ARG B 1 186 ? -0.208 11.536 -42.175 1.00 39.40 ? 201 ARG A CZ 1 ATOM 2999 N NH1 . ARG B 1 186 ? -1.285 10.824 -41.866 1.00 35.72 ? 201 ARG A NH1 1 ATOM 3000 N NH2 . ARG B 1 186 ? 0.235 12.474 -41.323 1.00 39.49 ? 201 ARG A NH2 1 ATOM 3001 N N . ASN B 1 187 ? 2.836 15.287 -47.993 1.00 32.57 ? 202 ASN A N 1 ATOM 3002 C CA . ASN B 1 187 ? 3.356 16.570 -48.472 1.00 37.21 ? 202 ASN A CA 1 ATOM 3003 C C . ASN B 1 187 ? 4.030 16.517 -49.869 1.00 38.04 ? 202 ASN A C 1 ATOM 3004 O O . ASN B 1 187 ? 4.641 17.497 -50.300 1.00 39.73 ? 202 ASN A O 1 ATOM 3005 C CB . ASN B 1 187 ? 4.271 17.221 -47.425 1.00 38.43 ? 202 ASN A CB 1 ATOM 3006 C CG . ASN B 1 187 ? 3.554 17.456 -46.100 1.00 40.21 ? 202 ASN A CG 1 ATOM 3007 O OD1 . ASN B 1 187 ? 2.583 18.215 -46.033 1.00 40.63 ? 202 ASN A OD1 1 ATOM 3008 N ND2 . ASN B 1 187 ? 4.010 16.800 -45.052 1.00 40.85 ? 202 ASN A ND2 1 ATOM 3009 N N . SER B 1 188 ? 3.899 15.386 -50.578 1.00 35.86 ? 203 SER A N 1 ATOM 3010 C CA . SER B 1 188 ? 4.268 15.300 -52.008 1.00 34.33 ? 203 SER A CA 1 ATOM 3011 C C . SER B 1 188 ? 3.264 16.043 -52.910 1.00 33.35 ? 203 SER A C 1 ATOM 3012 O O . SER B 1 188 ? 3.575 16.353 -54.060 1.00 36.45 ? 203 SER A O 1 ATOM 3013 C CB . SER B 1 188 ? 4.363 13.835 -52.468 1.00 34.29 ? 203 SER A CB 1 ATOM 3014 O OG . SER B 1 188 ? 3.081 13.197 -52.448 1.00 32.67 ? 203 SER A OG 1 ATOM 3015 N N . GLY B 1 189 ? 2.049 16.289 -52.413 1.00 32.37 ? 204 GLY A N 1 ATOM 3016 C CA . GLY B 1 189 ? 0.961 16.777 -53.256 1.00 32.40 ? 204 GLY A CA 1 ATOM 3017 C C . GLY B 1 189 ? 0.332 15.740 -54.198 1.00 33.08 ? 204 GLY A C 1 ATOM 3018 O O . GLY B 1 189 ? -0.595 16.077 -54.943 1.00 33.41 ? 204 GLY A O 1 ATOM 3019 N N . ARG B 1 190 ? 0.790 14.487 -54.131 1.00 33.22 ? 205 ARG A N 1 ATOM 3020 C CA . ARG B 1 190 ? 0.337 13.404 -55.033 1.00 35.00 ? 205 ARG A CA 1 ATOM 3021 C C . ARG B 1 190 ? -0.476 12.296 -54.349 1.00 33.76 ? 205 ARG A C 1 ATOM 3022 O O . ARG B 1 190 ? -0.830 11.295 -54.989 1.00 30.03 ? 205 ARG A O 1 ATOM 3023 C CB . ARG B 1 190 ? 1.539 12.752 -55.704 1.00 38.31 ? 205 ARG A CB 1 ATOM 3024 C CG . ARG B 1 190 ? 2.404 13.682 -56.542 1.00 44.70 ? 205 ARG A CG 1 ATOM 3025 C CD . ARG B 1 190 ? 1.574 14.413 -57.588 1.00 47.84 ? 205 ARG A CD 1 ATOM 3026 N NE . ARG B 1 190 ? 2.403 15.128 -58.561 1.00 56.84 ? 205 ARG A NE 1 ATOM 3027 C CZ . ARG B 1 190 ? 2.924 14.603 -59.671 1.00 61.42 ? 205 ARG A CZ 1 ATOM 3028 N NH1 . ARG B 1 190 ? 3.662 15.371 -60.464 1.00 63.40 ? 205 ARG A NH1 1 ATOM 3029 N NH2 . ARG B 1 190 ? 2.724 13.325 -59.999 1.00 57.33 ? 205 ARG A NH2 1 ATOM 3030 N N . CYS B 1 191 ? -0.772 12.451 -53.068 1.00 31.77 ? 206 CYS A N 1 ATOM 3031 C CA . CYS B 1 191 ? -1.503 11.415 -52.350 1.00 30.99 ? 206 CYS A CA 1 ATOM 3032 C C . CYS B 1 191 ? -2.305 12.049 -51.240 1.00 30.21 ? 206 CYS A C 1 ATOM 3033 O O . CYS B 1 191 ? -1.963 13.135 -50.797 1.00 28.85 ? 206 CYS A O 1 ATOM 3034 C CB . CYS B 1 191 ? -0.513 10.402 -51.780 1.00 31.54 ? 206 CYS A CB 1 ATOM 3035 S SG . CYS B 1 191 ? 0.748 11.141 -50.701 1.00 32.25 ? 206 CYS A SG 1 ATOM 3036 N N . LEU B 1 192 ? -3.359 11.349 -50.796 1.00 26.51 ? 207 LEU A N 1 ATOM 3037 C CA . LEU B 1 192 ? -4.231 11.820 -49.733 1.00 26.16 ? 207 LEU A CA 1 ATOM 3038 C C . LEU B 1 192 ? -3.853 11.193 -48.394 1.00 26.47 ? 207 LEU A C 1 ATOM 3039 O O . LEU B 1 192 ? -3.392 10.056 -48.336 1.00 26.99 ? 207 LEU A O 1 ATOM 3040 C CB . LEU B 1 192 ? -5.713 11.530 -50.036 1.00 26.63 ? 207 LEU A CB 1 ATOM 3041 C CG . LEU B 1 192 ? -6.382 12.367 -51.139 1.00 27.60 ? 207 LEU A CG 1 ATOM 3042 C CD1 . LEU B 1 192 ? -6.158 11.842 -52.544 1.00 26.63 ? 207 LEU A CD1 1 ATOM 3043 C CD2 . LEU B 1 192 ? -7.875 12.527 -50.910 1.00 30.26 ? 207 LEU A CD2 1 ATOM 3044 N N . GLN B 1 193 ? -4.056 11.946 -47.319 1.00 24.24 ? 208 GLN A N 1 ATOM 3045 C CA . GLN B 1 193 ? -3.974 11.411 -45.982 1.00 24.46 ? 208 GLN A CA 1 ATOM 3046 C C . GLN B 1 193 ? -5.378 10.973 -45.560 1.00 23.62 ? 208 GLN A C 1 ATOM 3047 O O . GLN B 1 193 ? -6.325 11.711 -45.780 1.00 24.47 ? 208 GLN A O 1 ATOM 3048 C CB . GLN B 1 193 ? -3.499 12.492 -45.021 1.00 24.76 ? 208 GLN A CB 1 ATOM 3049 C CG . GLN B 1 193 ? -2.038 12.873 -45.224 1.00 26.19 ? 208 GLN A CG 1 ATOM 3050 C CD . GLN B 1 193 ? -1.551 14.003 -44.319 1.00 27.36 ? 208 GLN A CD 1 ATOM 3051 O OE1 . GLN B 1 193 ? -0.720 14.785 -44.737 1.00 29.97 ? 208 GLN A OE1 1 ATOM 3052 N NE2 . GLN B 1 193 ? -2.026 14.069 -43.091 1.00 27.42 ? 208 GLN A NE2 1 ATOM 3053 N N . LYS B 1 194 ? -5.497 9.827 -44.900 1.00 23.25 ? 209 LYS A N 1 ATOM 3054 C CA . LYS B 1 194 ? -6.770 9.424 -44.317 1.00 25.42 ? 209 LYS A CA 1 ATOM 3055 C C . LYS B 1 194 ? -7.092 10.121 -43.000 1.00 25.61 ? 209 LYS A C 1 ATOM 3056 O O . LYS B 1 194 ? -8.164 9.935 -42.466 1.00 25.83 ? 209 LYS A O 1 ATOM 3057 C CB . LYS B 1 194 ? -6.842 7.903 -44.131 1.00 25.10 ? 209 LYS A CB 1 ATOM 3058 C CG . LYS B 1 194 ? -5.972 7.338 -43.029 1.00 24.78 ? 209 LYS A CG 1 ATOM 3059 C CD . LYS B 1 194 ? -6.395 5.922 -42.653 1.00 25.09 ? 209 LYS A CD 1 ATOM 3060 C CE . LYS B 1 194 ? -5.424 5.253 -41.692 1.00 25.57 ? 209 LYS A CE 1 ATOM 3061 N NZ . LYS B 1 194 ? -5.031 6.165 -40.577 1.00 29.48 ? 209 LYS A NZ 1 ATOM 3062 N N . TRP B 1 195 ? -6.145 10.868 -42.437 1.00 25.43 ? 210 TRP A N 1 ATOM 3063 C CA . TRP B 1 195 ? -6.410 11.647 -41.246 1.00 27.01 ? 210 TRP A CA 1 ATOM 3064 C C . TRP B 1 195 ? -5.386 12.763 -41.196 1.00 26.84 ? 210 TRP A C 1 ATOM 3065 O O . TRP B 1 195 ? -4.277 12.624 -41.732 1.00 27.86 ? 210 TRP A O 1 ATOM 3066 C CB . TRP B 1 195 ? -6.328 10.771 -39.990 1.00 26.75 ? 210 TRP A CB 1 ATOM 3067 C CG . TRP B 1 195 ? -6.967 11.388 -38.791 1.00 28.98 ? 210 TRP A CG 1 ATOM 3068 C CD1 . TRP B 1 195 ? -8.278 11.317 -38.428 1.00 29.74 ? 210 TRP A CD1 1 ATOM 3069 C CD2 . TRP B 1 195 ? -6.313 12.171 -37.787 1.00 30.74 ? 210 TRP A CD2 1 ATOM 3070 N NE1 . TRP B 1 195 ? -8.490 12.011 -37.261 1.00 30.26 ? 210 TRP A NE1 1 ATOM 3071 C CE2 . TRP B 1 195 ? -7.296 12.547 -36.847 1.00 29.30 ? 210 TRP A CE2 1 ATOM 3072 C CE3 . TRP B 1 195 ? -4.988 12.577 -37.584 1.00 29.94 ? 210 TRP A CE3 1 ATOM 3073 C CZ2 . TRP B 1 195 ? -6.999 13.327 -35.724 1.00 29.86 ? 210 TRP A CZ2 1 ATOM 3074 C CZ3 . TRP B 1 195 ? -4.690 13.369 -36.460 1.00 31.09 ? 210 TRP A CZ3 1 ATOM 3075 C CH2 . TRP B 1 195 ? -5.695 13.735 -35.554 1.00 32.02 ? 210 TRP A CH2 1 ATOM 3076 N N . PHE B 1 196 ? -5.758 13.867 -40.579 1.00 27.03 ? 211 PHE A N 1 ATOM 3077 C CA . PHE B 1 196 ? -4.840 14.976 -40.391 1.00 29.96 ? 211 PHE A CA 1 ATOM 3078 C C . PHE B 1 196 ? -5.232 15.739 -39.148 1.00 30.87 ? 211 PHE A C 1 ATOM 3079 O O . PHE B 1 196 ? -6.399 15.738 -38.734 1.00 27.13 ? 211 PHE A O 1 ATOM 3080 C CB . PHE B 1 196 ? -4.838 15.925 -41.609 1.00 28.58 ? 211 PHE A CB 1 ATOM 3081 C CG . PHE B 1 196 ? -6.211 16.394 -42.004 1.00 27.31 ? 211 PHE A CG 1 ATOM 3082 C CD1 . PHE B 1 196 ? -7.004 15.613 -42.824 1.00 30.35 ? 211 PHE A CD1 1 ATOM 3083 C CD2 . PHE B 1 196 ? -6.738 17.591 -41.508 1.00 29.07 ? 211 PHE A CD2 1 ATOM 3084 C CE1 . PHE B 1 196 ? -8.296 16.013 -43.150 1.00 28.65 ? 211 PHE A CE1 1 ATOM 3085 C CE2 . PHE B 1 196 ? -8.020 18.001 -41.848 1.00 29.99 ? 211 PHE A CE2 1 ATOM 3086 C CZ . PHE B 1 196 ? -8.798 17.198 -42.668 1.00 29.57 ? 211 PHE A CZ 1 ATOM 3087 N N . GLU B 1 197 ? -4.256 16.447 -38.599 1.00 32.08 ? 212 GLU A N 1 ATOM 3088 C CA . GLU B 1 197 ? -4.466 17.226 -37.388 1.00 36.55 ? 212 GLU A CA 1 ATOM 3089 C C . GLU B 1 197 ? -5.385 18.439 -37.716 1.00 35.71 ? 212 GLU A C 1 ATOM 3090 O O . GLU B 1 197 ? -5.140 19.198 -38.646 1.00 38.34 ? 212 GLU A O 1 ATOM 3091 C CB . GLU B 1 197 ? -3.107 17.593 -36.771 1.00 42.23 ? 212 GLU A CB 1 ATOM 3092 C CG . GLU B 1 197 ? -3.099 17.865 -35.284 1.00 48.26 ? 212 GLU A CG 1 ATOM 3093 C CD . GLU B 1 197 ? -3.447 16.661 -34.451 1.00 46.10 ? 212 GLU A CD 1 ATOM 3094 O OE1 . GLU B 1 197 ? -2.745 15.635 -34.533 1.00 51.84 ? 212 GLU A OE1 1 ATOM 3095 O OE2 . GLU B 1 197 ? -4.425 16.751 -33.690 1.00 58.81 ? 212 GLU A OE2 1 ATOM 3096 N N . PRO B 1 198 ? -6.510 18.566 -37.005 1.00 38.80 ? 213 PRO A N 1 ATOM 3097 C CA . PRO B 1 198 ? -7.499 19.637 -37.223 1.00 43.46 ? 213 PRO A CA 1 ATOM 3098 C C . PRO B 1 198 ? -6.919 21.058 -37.381 1.00 48.08 ? 213 PRO A C 1 ATOM 3099 O O . PRO B 1 198 ? -7.260 21.779 -38.323 1.00 47.81 ? 213 PRO A O 1 ATOM 3100 C CB . PRO B 1 198 ? -8.343 19.563 -35.960 1.00 43.15 ? 213 PRO A CB 1 ATOM 3101 C CG . PRO B 1 198 ? -8.307 18.125 -35.600 1.00 41.44 ? 213 PRO A CG 1 ATOM 3102 C CD . PRO B 1 198 ? -6.938 17.639 -35.944 1.00 39.21 ? 213 PRO A CD 1 ATOM 3103 N N . ALA B 1 199 ? -6.011 21.433 -36.488 1.00 49.23 ? 214 ALA A N 1 ATOM 3104 C CA . ALA B 1 199 ? -5.446 22.790 -36.512 1.00 49.73 ? 214 ALA A CA 1 ATOM 3105 C C . ALA B 1 199 ? -4.698 23.120 -37.798 1.00 51.08 ? 214 ALA A C 1 ATOM 3106 O O . ALA B 1 199 ? -4.594 24.286 -38.136 1.00 51.29 ? 214 ALA A O 1 ATOM 3107 C CB . ALA B 1 199 ? -4.533 23.010 -35.320 1.00 49.87 ? 214 ALA A CB 1 ATOM 3108 N N . GLN B 1 200 ? -4.191 22.114 -38.516 1.00 49.60 ? 215 GLN A N 1 ATOM 3109 C CA . GLN B 1 200 ? -3.336 22.364 -39.685 1.00 48.27 ? 215 GLN A CA 1 ATOM 3110 C C . GLN B 1 200 ? -4.088 22.504 -41.010 1.00 46.60 ? 215 GLN A C 1 ATOM 3111 O O . GLN B 1 200 ? -3.480 22.782 -42.037 1.00 49.22 ? 215 GLN A O 1 ATOM 3112 C CB . GLN B 1 200 ? -2.281 21.270 -39.856 1.00 57.16 ? 215 GLN A CB 1 ATOM 3113 C CG . GLN B 1 200 ? -1.720 20.659 -38.573 1.00 64.26 ? 215 GLN A CG 1 ATOM 3114 C CD . GLN B 1 200 ? -1.262 21.649 -37.503 1.00 67.23 ? 215 GLN A CD 1 ATOM 3115 O OE1 . GLN B 1 200 ? -1.384 21.364 -36.308 1.00 70.21 ? 215 GLN A OE1 1 ATOM 3116 N NE2 . GLN B 1 200 ? -0.716 22.794 -37.914 1.00 67.67 ? 215 GLN A NE2 1 ATOM 3117 N N . GLY B 1 201 ? -5.398 22.292 -41.014 1.00 44.17 ? 216 GLY A N 1 ATOM 3118 C CA . GLY B 1 201 ? -6.164 22.412 -42.243 1.00 43.48 ? 216 GLY A CA 1 ATOM 3119 C C . GLY B 1 201 ? -5.982 21.201 -43.144 1.00 38.59 ? 216 GLY A C 1 ATOM 3120 O O . GLY B 1 201 ? -5.027 20.430 -43.037 1.00 35.54 ? 216 GLY A O 1 ATOM 3121 N N . ASN B 1 202 ? -6.915 21.063 -44.056 1.00 37.77 ? 217 ASN A N 1 ATOM 3122 C CA . ASN B 1 202 ? -7.007 19.870 -44.841 1.00 36.18 ? 217 ASN A CA 1 ATOM 3123 C C . ASN B 1 202 ? -5.965 19.848 -45.961 1.00 35.58 ? 217 ASN A C 1 ATOM 3124 O O . ASN B 1 202 ? -6.073 20.614 -46.902 1.00 34.51 ? 217 ASN A O 1 ATOM 3125 C CB . ASN B 1 202 ? -8.414 19.757 -45.399 1.00 35.86 ? 217 ASN A CB 1 ATOM 3126 C CG . ASN B 1 202 ? -8.677 18.391 -45.990 1.00 33.69 ? 217 ASN A CG 1 ATOM 3127 O OD1 . ASN B 1 202 ? -7.764 17.774 -46.550 1.00 32.70 ? 217 ASN A OD1 1 ATOM 3128 N ND2 . ASN B 1 202 ? -9.898 17.895 -45.837 1.00 30.86 ? 217 ASN A ND2 1 ATOM 3129 N N . PRO B 1 203 ? -4.983 18.937 -45.883 1.00 32.45 ? 218 PRO A N 1 ATOM 3130 C CA . PRO B 1 203 ? -3.982 18.868 -46.936 1.00 34.54 ? 218 PRO A CA 1 ATOM 3131 C C . PRO B 1 203 ? -4.448 18.110 -48.201 1.00 33.75 ? 218 PRO A C 1 ATOM 3132 O O . PRO B 1 203 ? -3.688 18.017 -49.165 1.00 35.39 ? 218 PRO A O 1 ATOM 3133 C CB . PRO B 1 203 ? -2.869 18.082 -46.265 1.00 33.06 ? 218 PRO A CB 1 ATOM 3134 C CG . PRO B 1 203 ? -3.628 17.053 -45.480 1.00 32.60 ? 218 PRO A CG 1 ATOM 3135 C CD . PRO B 1 203 ? -4.877 17.767 -44.992 1.00 32.90 ? 218 PRO A CD 1 ATOM 3136 N N . ASN B 1 204 ? -5.662 17.553 -48.199 1.00 30.47 ? 219 ASN A N 1 ATOM 3137 C CA . ASN B 1 204 ? -6.124 16.785 -49.346 1.00 28.03 ? 219 ASN A CA 1 ATOM 3138 C C . ASN B 1 204 ? -6.751 17.673 -50.377 1.00 26.84 ? 219 ASN A C 1 ATOM 3139 O O . ASN B 1 204 ? -6.907 17.261 -51.517 1.00 25.54 ? 219 ASN A O 1 ATOM 3140 C CB . ASN B 1 204 ? -7.066 15.681 -48.905 1.00 26.57 ? 219 ASN A CB 1 ATOM 3141 C CG . ASN B 1 204 ? -6.375 14.667 -48.009 1.00 27.25 ? 219 ASN A CG 1 ATOM 3142 O OD1 . ASN B 1 204 ? -5.150 14.462 -48.109 1.00 25.52 ? 219 ASN A OD1 1 ATOM 3143 N ND2 . ASN B 1 204 ? -7.145 14.026 -47.122 1.00 25.48 ? 219 ASN A ND2 1 ATOM 3144 N N . VAL B 1 205 ? -7.085 18.904 -49.994 1.00 29.07 ? 220 VAL A N 1 ATOM 3145 C CA . VAL B 1 205 ? -7.712 19.855 -50.914 1.00 31.18 ? 220 VAL A CA 1 ATOM 3146 C C . VAL B 1 205 ? -6.850 20.027 -52.182 1.00 30.02 ? 220 VAL A C 1 ATOM 3147 O O . VAL B 1 205 ? -7.348 19.922 -53.313 1.00 26.83 ? 220 VAL A O 1 ATOM 3148 C CB . VAL B 1 205 ? -7.962 21.223 -50.221 1.00 34.03 ? 220 VAL A CB 1 ATOM 3149 C CG1 . VAL B 1 205 ? -8.352 22.292 -51.233 1.00 36.65 ? 220 VAL A CG1 1 ATOM 3150 C CG2 . VAL B 1 205 ? -9.026 21.108 -49.139 1.00 33.69 ? 220 VAL A CG2 1 ATOM 3151 N N . ALA B 1 206 ? -5.548 20.240 -51.988 1.00 30.78 ? 221 ALA A N 1 ATOM 3152 C CA . ALA B 1 206 ? -4.628 20.457 -53.115 1.00 33.03 ? 221 ALA A CA 1 ATOM 3153 C C . ALA B 1 206 ? -4.507 19.244 -54.031 1.00 32.22 ? 221 ALA A C 1 ATOM 3154 O O . ALA B 1 206 ? -4.245 19.388 -55.226 1.00 33.77 ? 221 ALA A O 1 ATOM 3155 C CB . ALA B 1 206 ? -3.242 20.850 -52.614 1.00 34.35 ? 221 ALA A CB 1 ATOM 3156 N N . VAL B 1 207 ? -4.682 18.053 -53.463 1.00 29.63 ? 222 VAL A N 1 ATOM 3157 C CA . VAL B 1 207 ? -4.467 16.810 -54.189 1.00 28.56 ? 222 VAL A CA 1 ATOM 3158 C C . VAL B 1 207 ? -5.642 16.567 -55.115 1.00 27.52 ? 222 VAL A C 1 ATOM 3159 O O . VAL B 1 207 ? -5.443 16.254 -56.305 1.00 28.40 ? 222 VAL A O 1 ATOM 3160 C CB . VAL B 1 207 ? -4.190 15.621 -53.249 1.00 28.89 ? 222 VAL A CB 1 ATOM 3161 C CG1 . VAL B 1 207 ? -3.868 14.362 -54.048 1.00 28.65 ? 222 VAL A CG1 1 ATOM 3162 C CG2 . VAL B 1 207 ? -3.028 15.964 -52.313 1.00 30.64 ? 222 VAL A CG2 1 ATOM 3163 N N . ALA B 1 208 ? -6.857 16.737 -54.602 1.00 26.74 ? 223 ALA A N 1 ATOM 3164 C CA . ALA B 1 208 ? -8.019 16.643 -55.458 1.00 26.97 ? 223 ALA A CA 1 ATOM 3165 C C . ALA B 1 208 ? -7.946 17.665 -56.593 1.00 29.00 ? 223 ALA A C 1 ATOM 3166 O O . ALA B 1 208 ? -8.215 17.323 -57.724 1.00 30.72 ? 223 ALA A O 1 ATOM 3167 C CB . ALA B 1 208 ? -9.316 16.824 -54.676 1.00 29.20 ? 223 ALA A CB 1 ATOM 3168 N N . ARG B 1 209 ? -7.602 18.912 -56.277 1.00 30.29 ? 224 ARG A N 1 ATOM 3169 C CA . ARG B 1 209 ? -7.488 19.974 -57.282 1.00 32.30 ? 224 ARG A CA 1 ATOM 3170 C C . ARG B 1 209 ? -6.506 19.576 -58.376 1.00 32.14 ? 224 ARG A C 1 ATOM 3171 O O . ARG B 1 209 ? -6.776 19.751 -59.543 1.00 32.75 ? 224 ARG A O 1 ATOM 3172 C CB . ARG B 1 209 ? -7.053 21.278 -56.606 1.00 35.66 ? 224 ARG A CB 1 ATOM 3173 C CG . ARG B 1 209 ? -6.963 22.487 -57.520 1.00 39.96 ? 224 ARG A CG 1 ATOM 3174 C CD . ARG B 1 209 ? -6.610 23.709 -56.706 1.00 41.38 ? 224 ARG A CD 1 ATOM 3175 N NE . ARG B 1 209 ? -6.452 24.896 -57.535 1.00 44.15 ? 224 ARG A NE 1 ATOM 3176 C CZ . ARG B 1 209 ? -6.251 26.125 -57.056 1.00 42.81 ? 224 ARG A CZ 1 ATOM 3177 N NH1 . ARG B 1 209 ? -6.122 27.143 -57.894 1.00 45.35 ? 224 ARG A NH1 1 ATOM 3178 N NH2 . ARG B 1 209 ? -6.175 26.342 -55.746 1.00 41.91 ? 224 ARG A NH2 1 ATOM 3179 N N . LEU B 1 210 ? -5.366 19.027 -57.986 1.00 32.95 ? 225 LEU A N 1 ATOM 3180 C CA . LEU B 1 210 ? -4.393 18.567 -58.947 1.00 33.11 ? 225 LEU A CA 1 ATOM 3181 C C . LEU B 1 210 ? -4.985 17.494 -59.853 1.00 34.98 ? 225 LEU A C 1 ATOM 3182 O O . LEU B 1 210 ? -4.897 17.606 -61.072 1.00 35.53 ? 225 LEU A O 1 ATOM 3183 C CB . LEU B 1 210 ? -3.154 18.032 -58.243 1.00 35.46 ? 225 LEU A CB 1 ATOM 3184 C CG . LEU B 1 210 ? -2.097 17.361 -59.118 1.00 36.47 ? 225 LEU A CG 1 ATOM 3185 C CD1 . LEU B 1 210 ? -1.518 18.339 -60.122 1.00 39.90 ? 225 LEU A CD1 1 ATOM 3186 C CD2 . LEU B 1 210 ? -1.006 16.785 -58.246 1.00 38.08 ? 225 LEU A CD2 1 ATOM 3187 N N . PHE B 1 211 ? -5.606 16.471 -59.269 1.00 32.95 ? 226 PHE A N 1 ATOM 3188 C CA . PHE B 1 211 ? -6.163 15.383 -60.082 1.00 33.54 ? 226 PHE A CA 1 ATOM 3189 C C . PHE B 1 211 ? -7.385 15.773 -60.880 1.00 33.90 ? 226 PHE A C 1 ATOM 3190 O O . PHE B 1 211 ? -7.606 15.224 -61.944 1.00 37.31 ? 226 PHE A O 1 ATOM 3191 C CB . PHE B 1 211 ? -6.397 14.126 -59.250 1.00 33.21 ? 226 PHE A CB 1 ATOM 3192 C CG . PHE B 1 211 ? -5.130 13.410 -58.925 1.00 34.41 ? 226 PHE A CG 1 ATOM 3193 C CD1 . PHE B 1 211 ? -4.407 13.731 -57.800 1.00 35.27 ? 226 PHE A CD1 1 ATOM 3194 C CD2 . PHE B 1 211 ? -4.633 12.441 -59.779 1.00 40.27 ? 226 PHE A CD2 1 ATOM 3195 C CE1 . PHE B 1 211 ? -3.232 13.092 -57.496 1.00 36.56 ? 226 PHE A CE1 1 ATOM 3196 C CE2 . PHE B 1 211 ? -3.450 11.794 -59.494 1.00 40.38 ? 226 PHE A CE2 1 ATOM 3197 C CZ . PHE B 1 211 ? -2.736 12.130 -58.345 1.00 41.17 ? 226 PHE A CZ 1 ATOM 3198 N N . ALA B 1 212 ? -8.175 16.725 -60.398 1.00 34.39 ? 227 ALA A N 1 ATOM 3199 C CA . ALA B 1 212 ? -9.295 17.215 -61.187 1.00 38.11 ? 227 ALA A CA 1 ATOM 3200 C C . ALA B 1 212 ? -8.779 17.951 -62.431 1.00 43.82 ? 227 ALA A C 1 ATOM 3201 O O . ALA B 1 212 ? -9.446 17.971 -63.449 1.00 42.84 ? 227 ALA A O 1 ATOM 3202 C CB . ALA B 1 212 ? -10.172 18.134 -60.371 1.00 39.45 ? 227 ALA A CB 1 ATOM 3203 N N . SER B 1 213 ? -7.585 18.533 -62.339 1.00 47.05 ? 228 SER A N 1 ATOM 3204 C CA . SER B 1 213 ? -6.994 19.284 -63.459 1.00 51.80 ? 228 SER A CA 1 ATOM 3205 C C . SER B 1 213 ? -6.607 18.405 -64.659 1.00 57.42 ? 228 SER A C 1 ATOM 3206 O O . SER B 1 213 ? -6.495 18.916 -65.768 1.00 60.37 ? 228 SER A O 1 ATOM 3207 C CB . SER B 1 213 ? -5.762 20.090 -62.992 1.00 49.62 ? 228 SER A CB 1 ATOM 3208 O OG . SER B 1 213 ? -4.558 19.324 -63.119 1.00 47.90 ? 228 SER A OG 1 ATOM 3209 N N . GLU B 1 214 ? -6.375 17.109 -64.431 1.00 62.65 ? 229 GLU A N 1 ATOM 3210 C CA . GLU B 1 214 ? -5.985 16.162 -65.497 1.00 70.15 ? 229 GLU A CA 1 ATOM 3211 C C . GLU B 1 214 ? -4.613 16.472 -66.141 1.00 74.89 ? 229 GLU A C 1 ATOM 3212 O O . GLU B 1 214 ? -4.441 16.379 -67.358 1.00 70.21 ? 229 GLU A O 1 ATOM 3213 C CB . GLU B 1 214 ? -7.075 16.056 -66.577 1.00 70.17 ? 229 GLU A CB 1 ATOM 3214 C CG . GLU B 1 214 ? -8.451 15.713 -66.033 1.00 73.46 ? 229 GLU A CG 1 ATOM 3215 C CD . GLU B 1 214 ? -9.556 15.833 -67.066 1.00 76.95 ? 229 GLU A CD 1 ATOM 3216 O OE1 . GLU B 1 214 ? -10.560 15.122 -66.911 1.00 77.80 ? 229 GLU A OE1 1 ATOM 3217 O OE2 . GLU B 1 214 ? -9.444 16.636 -68.019 1.00 77.20 ? 229 GLU A OE2 1 ATOM 3218 N N . PHE B 1 215 ? -3.659 16.863 -65.298 1.00 80.65 ? 230 PHE A N 1 ATOM 3219 C CA . PHE B 1 215 ? -2.244 16.992 -65.655 1.00 82.34 ? 230 PHE A CA 1 ATOM 3220 C C . PHE B 1 215 ? -1.670 15.666 -66.202 1.00 87.38 ? 230 PHE A C 1 ATOM 3221 O O . PHE B 1 215 ? -2.145 14.581 -65.848 1.00 86.80 ? 230 PHE A O 1 ATOM 3222 C CB . PHE B 1 215 ? -1.451 17.381 -64.403 1.00 82.19 ? 230 PHE A CB 1 ATOM 3223 C CG . PHE B 1 215 ? -1.205 16.216 -63.482 1.00 81.93 ? 230 PHE A CG 1 ATOM 3224 C CD1 . PHE B 1 215 ? 0.035 15.574 -63.464 1.00 81.41 ? 230 PHE A CD1 1 ATOM 3225 C CD2 . PHE B 1 215 ? -2.236 15.697 -62.696 1.00 77.37 ? 230 PHE A CD2 1 ATOM 3226 C CE1 . PHE B 1 215 ? 0.254 14.471 -62.650 1.00 78.49 ? 230 PHE A CE1 1 ATOM 3227 C CE2 . PHE B 1 215 ? -2.015 14.602 -61.875 1.00 74.95 ? 230 PHE A CE2 1 ATOM 3228 C CZ . PHE B 1 215 ? -0.770 13.987 -61.851 1.00 75.14 ? 230 PHE A CZ 1 ATOM 3229 N N . LEU B 1 216 ? -0.632 15.750 -67.028 1.00 87.84 ? 231 LEU A N 1 ATOM 3230 C CA . LEU B 1 216 ? 0.055 14.552 -67.524 1.00 86.23 ? 231 LEU A CA 1 ATOM 3231 C C . LEU B 1 216 ? 1.557 14.784 -67.594 1.00 83.57 ? 231 LEU A C 1 ATOM 3232 O O . LEU B 1 216 ? 2.335 14.033 -67.006 1.00 79.82 ? 231 LEU A O 1 ATOM 3233 C CB . LEU B 1 216 ? -0.510 14.115 -68.886 1.00 85.17 ? 231 LEU A CB 1 ATOM 3234 C CG . LEU B 1 216 ? -0.931 15.195 -69.893 1.00 86.52 ? 231 LEU A CG 1 ATOM 3235 C CD1 . LEU B 1 216 ? 0.257 15.989 -70.420 1.00 85.62 ? 231 LEU A CD1 1 ATOM 3236 C CD2 . LEU B 1 216 ? -1.696 14.563 -71.046 1.00 86.97 ? 231 LEU A CD2 1 HETATM 3237 C C1 . NAG C 2 . ? -15.829 -16.213 -19.763 1.00 45.05 ? 301 NAG B C1 1 HETATM 3238 C C2 . NAG C 2 . ? -15.316 -17.295 -18.844 1.00 47.69 ? 301 NAG B C2 1 HETATM 3239 C C3 . NAG C 2 . ? -14.607 -18.319 -19.683 1.00 47.64 ? 301 NAG B C3 1 HETATM 3240 C C4 . NAG C 2 . ? -15.550 -18.882 -20.708 1.00 49.85 ? 301 NAG B C4 1 HETATM 3241 C C5 . NAG C 2 . ? -16.081 -17.726 -21.554 1.00 47.91 ? 301 NAG B C5 1 HETATM 3242 C C6 . NAG C 2 . ? -17.070 -18.185 -22.613 1.00 48.91 ? 301 NAG B C6 1 HETATM 3243 C C7 . NAG C 2 . ? -14.437 -17.007 -16.619 1.00 50.02 ? 301 NAG B C7 1 HETATM 3244 C C8 . NAG C 2 . ? -13.424 -16.290 -15.770 1.00 49.69 ? 301 NAG B C8 1 HETATM 3245 N N2 . NAG C 2 . ? -14.393 -16.713 -17.904 1.00 45.40 ? 301 NAG B N2 1 HETATM 3246 O O3 . NAG C 2 . ? -14.182 -19.362 -18.838 1.00 49.21 ? 301 NAG B O3 1 HETATM 3247 O O4 . NAG C 2 . ? -14.788 -19.770 -21.507 1.00 49.84 ? 301 NAG B O4 1 HETATM 3248 O O5 . NAG C 2 . ? -16.715 -16.795 -20.699 1.00 46.68 ? 301 NAG B O5 1 HETATM 3249 O O6 . NAG C 2 . ? -18.110 -18.996 -22.050 1.00 49.67 ? 301 NAG B O6 1 HETATM 3250 O O7 . NAG C 2 . ? -15.234 -17.818 -16.173 1.00 48.85 ? 301 NAG B O7 1 HETATM 3251 C C1 . NAG D 2 . ? -15.428 -21.031 -21.645 1.00 52.86 ? 302 NAG B C1 1 HETATM 3252 C C2 . NAG D 2 . ? -14.776 -21.731 -22.818 1.00 53.74 ? 302 NAG B C2 1 HETATM 3253 C C3 . NAG D 2 . ? -15.347 -23.112 -22.985 1.00 57.04 ? 302 NAG B C3 1 HETATM 3254 C C4 . NAG D 2 . ? -15.296 -23.892 -21.686 1.00 58.20 ? 302 NAG B C4 1 HETATM 3255 C C5 . NAG D 2 . ? -16.007 -23.078 -20.622 1.00 58.08 ? 302 NAG B C5 1 HETATM 3256 C C6 . NAG D 2 . ? -16.009 -23.734 -19.258 1.00 57.67 ? 302 NAG B C6 1 HETATM 3257 C C7 . NAG D 2 . ? -14.116 -20.302 -24.648 1.00 55.14 ? 302 NAG B C7 1 HETATM 3258 C C8 . NAG D 2 . ? -14.542 -19.580 -25.880 1.00 52.80 ? 302 NAG B C8 1 HETATM 3259 N N2 . NAG D 2 . ? -15.054 -21.000 -24.029 1.00 55.00 ? 302 NAG B N2 1 HETATM 3260 O O3 . NAG D 2 . ? -14.593 -23.755 -24.001 1.00 56.27 ? 302 NAG B O3 1 HETATM 3261 O O4 . NAG D 2 . ? -15.961 -25.139 -21.857 1.00 59.53 ? 302 NAG B O4 1 HETATM 3262 O O5 . NAG D 2 . ? -15.323 -21.833 -20.478 1.00 52.59 ? 302 NAG B O5 1 HETATM 3263 O O6 . NAG D 2 . ? -14.945 -23.092 -18.563 1.00 60.55 ? 302 NAG B O6 1 HETATM 3264 O O7 . NAG D 2 . ? -12.975 -20.249 -24.235 1.00 57.72 ? 302 NAG B O7 1 HETATM 3265 C C1 . BMA E 3 . ? -15.043 -26.227 -21.858 1.00 61.65 ? 303 BMA B C1 1 HETATM 3266 C C2 . BMA E 3 . ? -15.804 -27.451 -21.414 1.00 65.48 ? 303 BMA B C2 1 HETATM 3267 C C3 . BMA E 3 . ? -14.928 -28.691 -21.538 1.00 65.79 ? 303 BMA B C3 1 HETATM 3268 C C4 . BMA E 3 . ? -14.314 -28.783 -22.914 1.00 64.91 ? 303 BMA B C4 1 HETATM 3269 C C5 . BMA E 3 . ? -13.604 -27.492 -23.258 1.00 65.38 ? 303 BMA B C5 1 HETATM 3270 C C6 . BMA E 3 . ? -13.049 -27.573 -24.673 1.00 64.70 ? 303 BMA B C6 1 HETATM 3271 O O2 . BMA E 3 . ? -16.973 -27.548 -22.232 1.00 65.16 ? 303 BMA B O2 1 HETATM 3272 O O3 . BMA E 3 . ? -15.690 -29.877 -21.354 1.00 69.05 ? 303 BMA B O3 1 HETATM 3273 O O4 . BMA E 3 . ? -13.359 -29.835 -22.914 1.00 63.05 ? 303 BMA B O4 1 HETATM 3274 O O5 . BMA E 3 . ? -14.531 -26.421 -23.161 1.00 62.97 ? 303 BMA B O5 1 HETATM 3275 O O6 . BMA E 3 . ? -12.098 -26.529 -24.920 1.00 63.54 ? 303 BMA B O6 1 HETATM 3276 C C1 . MAN F 4 . ? -15.658 -30.308 -19.989 1.00 71.69 ? 304 MAN B C1 1 HETATM 3277 C C2 . MAN F 4 . ? -16.344 -31.661 -19.977 1.00 76.70 ? 304 MAN B C2 1 HETATM 3278 C C3 . MAN F 4 . ? -17.844 -31.526 -20.062 1.00 79.29 ? 304 MAN B C3 1 HETATM 3279 C C4 . MAN F 4 . ? -18.352 -30.603 -18.973 1.00 79.32 ? 304 MAN B C4 1 HETATM 3280 C C5 . MAN F 4 . ? -17.685 -29.260 -19.180 1.00 76.95 ? 304 MAN B C5 1 HETATM 3281 C C6 . MAN F 4 . ? -18.156 -28.231 -18.170 1.00 74.17 ? 304 MAN B C6 1 HETATM 3282 O O2 . MAN F 4 . ? -16.114 -32.342 -18.750 1.00 73.48 ? 304 MAN B O2 1 HETATM 3283 O O3 . MAN F 4 . ? -18.351 -32.825 -19.841 1.00 81.16 ? 304 MAN B O3 1 HETATM 3284 O O4 . MAN F 4 . ? -19.768 -30.496 -19.073 1.00 81.79 ? 304 MAN B O4 1 HETATM 3285 O O5 . MAN F 4 . ? -16.264 -29.396 -19.066 1.00 73.71 ? 304 MAN B O5 1 HETATM 3286 O O6 . MAN F 4 . ? -17.513 -26.992 -18.480 1.00 75.73 ? 304 MAN B O6 1 HETATM 3287 CL CL . CL G 5 . ? 3.731 -2.617 -10.157 1.00 43.57 ? 305 CL B CL 1 HETATM 3288 CL CL . CL H 5 . ? -10.214 14.937 -47.098 1.00 26.71 ? 301 CL A CL 1 HETATM 3289 CL CL . CL I 5 . ? -10.261 0.054 -29.109 1.00 39.01 ? 302 CL A CL 1 HETATM 3290 O O . HOH J 6 . ? -0.393 -15.166 -2.559 1.00 55.40 ? 401 HOH B O 1 HETATM 3291 O O . HOH J 6 . ? -20.751 -5.474 -25.044 1.00 59.05 ? 402 HOH B O 1 HETATM 3292 O O . HOH J 6 . ? -9.691 -6.128 -6.022 1.00 46.53 ? 403 HOH B O 1 HETATM 3293 O O . HOH J 6 . ? -2.433 -20.955 -22.442 1.00 39.87 ? 404 HOH B O 1 HETATM 3294 O O . HOH J 6 . ? -9.152 -6.419 -28.571 1.00 43.92 ? 405 HOH B O 1 HETATM 3295 O O . HOH J 6 . ? 6.809 -17.779 -10.812 1.00 36.98 ? 406 HOH B O 1 HETATM 3296 O O . HOH J 6 . ? -1.941 -18.818 -17.153 1.00 34.91 ? 407 HOH B O 1 HETATM 3297 O O . HOH J 6 . ? -1.861 -14.831 -14.785 1.00 36.89 ? 408 HOH B O 1 HETATM 3298 O O . HOH J 6 . ? -18.267 0.076 -8.305 1.00 48.24 ? 409 HOH B O 1 HETATM 3299 O O . HOH J 6 . ? 0.164 -17.002 -4.127 1.00 38.08 ? 410 HOH B O 1 HETATM 3300 O O . HOH J 6 . ? 0.177 -3.167 -31.413 1.00 43.12 ? 411 HOH B O 1 HETATM 3301 O O . HOH J 6 . ? 6.416 -15.249 -21.004 1.00 34.99 ? 412 HOH B O 1 HETATM 3302 O O . HOH J 6 . ? -1.346 -9.491 -6.521 1.00 40.89 ? 413 HOH B O 1 HETATM 3303 O O . HOH J 6 . ? -6.016 -1.988 1.547 1.00 38.36 ? 414 HOH B O 1 HETATM 3304 O O . HOH J 6 . ? 1.046 -7.801 -5.864 1.00 52.31 ? 415 HOH B O 1 HETATM 3305 O O . HOH J 6 . ? -13.324 8.646 -24.880 1.00 40.01 ? 416 HOH B O 1 HETATM 3306 O O . HOH J 6 . ? -24.876 3.992 -11.220 1.00 46.36 ? 417 HOH B O 1 HETATM 3307 O O . HOH J 6 . ? -9.859 -6.323 -22.592 1.00 36.74 ? 418 HOH B O 1 HETATM 3308 O O . HOH J 6 . ? -23.487 -5.286 -23.368 1.00 49.70 ? 419 HOH B O 1 HETATM 3309 O O . HOH J 6 . ? 3.511 -1.575 -22.990 1.00 49.69 ? 420 HOH B O 1 HETATM 3310 O O . HOH J 6 . ? -9.374 7.309 -28.573 1.00 34.30 ? 421 HOH B O 1 HETATM 3311 O O . HOH J 6 . ? 3.432 -7.012 -2.923 1.00 40.87 ? 422 HOH B O 1 HETATM 3312 O O . HOH J 6 . ? 1.610 -20.363 -10.320 1.00 36.30 ? 423 HOH B O 1 HETATM 3313 O O . HOH J 6 . ? 0.846 -18.463 -20.569 1.00 28.63 ? 424 HOH B O 1 HETATM 3314 O O . HOH J 6 . ? -6.551 -13.402 -11.138 1.00 45.92 ? 425 HOH B O 1 HETATM 3315 O O . HOH J 6 . ? -2.556 -12.837 -13.097 1.00 32.78 ? 426 HOH B O 1 HETATM 3316 O O . HOH J 6 . ? -11.484 0.624 -8.099 1.00 38.57 ? 427 HOH B O 1 HETATM 3317 O O . HOH J 6 . ? -1.076 -8.863 -9.217 1.00 38.12 ? 428 HOH B O 1 HETATM 3318 O O . HOH J 6 . ? 12.989 -12.998 -18.915 1.00 48.32 ? 429 HOH B O 1 HETATM 3319 O O . HOH J 6 . ? -10.858 13.441 -8.918 1.00 48.45 ? 430 HOH B O 1 HETATM 3320 O O . HOH J 6 . ? 3.820 -17.385 -19.002 1.00 33.72 ? 431 HOH B O 1 HETATM 3321 O O . HOH J 6 . ? 5.325 7.522 -6.376 1.00 55.33 ? 432 HOH B O 1 HETATM 3322 O O . HOH J 6 . ? -14.545 -5.292 -22.716 1.00 37.82 ? 433 HOH B O 1 HETATM 3323 O O . HOH J 6 . ? -1.143 -15.995 -6.228 1.00 43.34 ? 434 HOH B O 1 HETATM 3324 O O . HOH J 6 . ? -13.689 -8.781 -18.676 1.00 37.05 ? 435 HOH B O 1 HETATM 3325 O O . HOH J 6 . ? -19.563 1.339 -23.578 1.00 30.14 ? 436 HOH B O 1 HETATM 3326 O O . HOH J 6 . ? -12.328 -6.541 -21.536 1.00 31.03 ? 437 HOH B O 1 HETATM 3327 O O . HOH J 6 . ? -15.093 -11.156 -30.833 1.00 56.43 ? 438 HOH B O 1 HETATM 3328 O O . HOH J 6 . ? 4.867 7.497 -9.291 1.00 46.90 ? 439 HOH B O 1 HETATM 3329 O O . HOH J 6 . ? -9.323 8.987 -26.004 1.00 47.21 ? 440 HOH B O 1 HETATM 3330 O O . HOH J 6 . ? -11.528 -4.598 -23.911 1.00 38.69 ? 441 HOH B O 1 HETATM 3331 O O . HOH J 6 . ? 3.234 -14.604 -3.807 1.00 47.59 ? 442 HOH B O 1 HETATM 3332 O O . HOH J 6 . ? 3.552 -7.951 -27.408 1.00 50.24 ? 443 HOH B O 1 HETATM 3333 O O . HOH J 6 . ? 7.208 -5.668 -11.965 1.00 41.46 ? 444 HOH B O 1 HETATM 3334 O O . HOH J 6 . ? 11.752 -10.582 -18.576 1.00 40.94 ? 445 HOH B O 1 HETATM 3335 O O . HOH J 6 . ? 7.296 -9.007 -24.141 1.00 45.35 ? 446 HOH B O 1 HETATM 3336 O O . HOH J 6 . ? -5.099 -16.868 -18.397 1.00 36.74 ? 447 HOH B O 1 HETATM 3337 O O . HOH J 6 . ? -10.341 -2.689 -16.819 1.00 39.72 ? 448 HOH B O 1 HETATM 3338 O O . HOH J 6 . ? -9.536 -17.176 -18.868 1.00 46.53 ? 449 HOH B O 1 HETATM 3339 O O . HOH J 6 . ? -10.470 -14.120 -8.491 1.00 49.29 ? 450 HOH B O 1 HETATM 3340 O O . HOH J 6 . ? -4.650 6.382 -23.926 1.00 48.16 ? 451 HOH B O 1 HETATM 3341 O O . HOH J 6 . ? -12.916 -6.164 -18.869 1.00 45.16 ? 452 HOH B O 1 HETATM 3342 O O . HOH J 6 . ? 0.905 -1.817 -26.890 1.00 60.70 ? 453 HOH B O 1 HETATM 3343 O O . HOH J 6 . ? 4.149 -19.608 -9.342 1.00 44.81 ? 454 HOH B O 1 HETATM 3344 O O . HOH J 6 . ? 0.328 -20.175 -18.492 0.50 34.43 ? 455 HOH B O 1 HETATM 3345 O O . HOH J 6 . ? 7.054 -17.250 -22.737 1.00 37.91 ? 456 HOH B O 1 HETATM 3346 O O . HOH J 6 . ? -0.214 -19.952 -12.927 0.50 37.95 ? 457 HOH B O 1 HETATM 3347 O O . HOH J 6 . ? -4.414 -20.821 -14.134 1.00 45.34 ? 458 HOH B O 1 HETATM 3348 O O . HOH J 6 . ? -12.730 -4.887 -16.301 1.00 51.72 ? 459 HOH B O 1 HETATM 3349 O O . HOH K 6 . ? 4.323 19.826 -49.612 1.00 61.84 ? 401 HOH A O 1 HETATM 3350 O O . HOH K 6 . ? 0.294 7.243 -56.292 1.00 43.38 ? 402 HOH A O 1 HETATM 3351 O O . HOH K 6 . ? -1.855 -4.171 -33.313 1.00 28.65 ? 403 HOH A O 1 HETATM 3352 O O . HOH K 6 . ? -5.390 20.017 -34.438 1.00 49.46 ? 404 HOH A O 1 HETATM 3353 O O . HOH K 6 . ? 6.476 13.075 -46.189 1.00 38.98 ? 405 HOH A O 1 HETATM 3354 O O . HOH K 6 . ? -1.166 18.594 -55.140 1.00 37.62 ? 406 HOH A O 1 HETATM 3355 O O . HOH K 6 . ? -25.740 18.782 -41.480 1.00 47.63 ? 407 HOH A O 1 HETATM 3356 O O . HOH K 6 . ? -6.483 11.038 -33.213 1.00 44.97 ? 408 HOH A O 1 HETATM 3357 O O . HOH K 6 . ? -15.744 2.606 -52.574 1.00 34.64 ? 409 HOH A O 1 HETATM 3358 O O . HOH K 6 . ? -0.590 9.574 -56.958 1.00 37.25 ? 410 HOH A O 1 HETATM 3359 O O . HOH K 6 . ? -16.339 1.467 -35.661 1.00 30.96 ? 411 HOH A O 1 HETATM 3360 O O . HOH K 6 . ? -9.773 20.620 -54.082 1.00 36.85 ? 412 HOH A O 1 HETATM 3361 O O . HOH K 6 . ? -15.121 -0.284 -33.962 1.00 38.07 ? 413 HOH A O 1 HETATM 3362 O O . HOH K 6 . ? 1.934 -8.951 -50.639 1.00 38.03 ? 414 HOH A O 1 HETATM 3363 O O . HOH K 6 . ? -26.822 13.995 -37.607 1.00 36.25 ? 415 HOH A O 1 HETATM 3364 O O . HOH K 6 . ? -15.301 11.116 -60.804 1.00 35.75 ? 416 HOH A O 1 HETATM 3365 O O . HOH K 6 . ? -8.407 -17.243 -44.538 1.00 43.74 ? 417 HOH A O 1 HETATM 3366 O O . HOH K 6 . ? -5.100 -15.865 -47.458 1.00 52.78 ? 418 HOH A O 1 HETATM 3367 O O . HOH K 6 . ? -12.175 19.054 -53.497 1.00 29.49 ? 419 HOH A O 1 HETATM 3368 O O . HOH K 6 . ? -27.244 16.331 -47.466 1.00 34.66 ? 420 HOH A O 1 HETATM 3369 O O . HOH K 6 . ? -3.095 7.926 -41.205 1.00 35.39 ? 421 HOH A O 1 HETATM 3370 O O . HOH K 6 . ? -21.273 10.029 -44.862 1.00 25.36 ? 422 HOH A O 1 HETATM 3371 O O . HOH K 6 . ? -15.932 -3.153 -35.646 1.00 32.08 ? 423 HOH A O 1 HETATM 3372 O O . HOH K 6 . ? -22.796 18.965 -36.582 1.00 36.97 ? 424 HOH A O 1 HETATM 3373 O O . HOH K 6 . ? -6.626 -0.251 -54.948 1.00 25.75 ? 425 HOH A O 1 HETATM 3374 O O . HOH K 6 . ? -3.558 -9.275 -48.030 1.00 42.20 ? 426 HOH A O 1 HETATM 3375 O O . HOH K 6 . ? -15.577 13.592 -51.755 1.00 24.51 ? 427 HOH A O 1 HETATM 3376 O O . HOH K 6 . ? 6.193 5.502 -44.364 1.00 55.58 ? 428 HOH A O 1 HETATM 3377 O O . HOH K 6 . ? -16.570 2.069 -29.630 1.00 42.55 ? 429 HOH A O 1 HETATM 3378 O O . HOH K 6 . ? -7.145 24.500 -60.128 1.00 46.35 ? 430 HOH A O 1 HETATM 3379 O O . HOH K 6 . ? -3.423 4.607 -33.973 1.00 44.46 ? 431 HOH A O 1 HETATM 3380 O O . HOH K 6 . ? -23.211 11.129 -43.419 1.00 24.55 ? 432 HOH A O 1 HETATM 3381 O O . HOH K 6 . ? -1.699 15.693 -39.147 1.00 51.64 ? 433 HOH A O 1 HETATM 3382 O O . HOH K 6 . ? -14.050 16.201 -54.369 1.00 30.08 ? 434 HOH A O 1 HETATM 3383 O O . HOH K 6 . ? -19.456 -1.633 -40.174 1.00 35.09 ? 435 HOH A O 1 HETATM 3384 O O . HOH K 6 . ? -5.545 6.201 -58.648 1.00 40.09 ? 436 HOH A O 1 HETATM 3385 O O . HOH K 6 . ? -25.138 16.835 -38.618 1.00 38.80 ? 437 HOH A O 1 HETATM 3386 O O . HOH K 6 . ? -16.949 11.305 -48.702 1.00 25.24 ? 438 HOH A O 1 HETATM 3387 O O . HOH K 6 . ? -10.200 -8.988 -35.075 1.00 30.14 ? 439 HOH A O 1 HETATM 3388 O O . HOH K 6 . ? 0.676 4.140 -49.574 1.00 39.23 ? 440 HOH A O 1 HETATM 3389 O O . HOH K 6 . ? 0.011 15.022 -47.393 1.00 26.28 ? 441 HOH A O 1 HETATM 3390 O O . HOH K 6 . ? -23.846 13.227 -54.417 1.00 49.77 ? 442 HOH A O 1 HETATM 3391 O O . HOH K 6 . ? -17.359 11.342 -51.398 1.00 20.41 ? 443 HOH A O 1 HETATM 3392 O O . HOH K 6 . ? -22.012 16.353 -53.975 1.00 39.45 ? 444 HOH A O 1 HETATM 3393 O O . HOH K 6 . ? -9.634 -13.744 -47.649 1.00 29.86 ? 445 HOH A O 1 HETATM 3394 O O . HOH K 6 . ? -22.282 6.326 -47.160 1.00 31.27 ? 446 HOH A O 1 HETATM 3395 O O . HOH K 6 . ? -1.119 -0.318 -31.963 1.00 45.87 ? 447 HOH A O 1 HETATM 3396 O O . HOH K 6 . ? -11.718 20.463 -36.935 1.00 40.40 ? 448 HOH A O 1 HETATM 3397 O O . HOH K 6 . ? -12.337 0.847 -41.800 1.00 46.90 ? 449 HOH A O 1 HETATM 3398 O O . HOH K 6 . ? -12.774 18.972 -45.099 1.00 38.29 ? 450 HOH A O 1 HETATM 3399 O O . HOH K 6 . ? -2.050 14.994 -48.665 1.00 35.70 ? 451 HOH A O 1 HETATM 3400 O O . HOH K 6 . ? 6.837 11.325 -52.294 1.00 34.69 ? 452 HOH A O 1 HETATM 3401 O O . HOH K 6 . ? -11.963 20.215 -42.794 1.00 44.41 ? 453 HOH A O 1 HETATM 3402 O O . HOH K 6 . ? -7.645 24.964 -53.735 1.00 47.11 ? 454 HOH A O 1 HETATM 3403 O O . HOH K 6 . ? -9.082 -0.178 -50.317 1.00 32.09 ? 455 HOH A O 1 HETATM 3404 O O . HOH K 6 . ? -24.146 12.265 -51.928 1.00 35.95 ? 456 HOH A O 1 HETATM 3405 O O . HOH K 6 . ? -10.099 21.405 -62.090 1.00 63.01 ? 457 HOH A O 1 HETATM 3406 O O . HOH K 6 . ? -3.414 8.563 -38.188 1.00 50.48 ? 458 HOH A O 1 HETATM 3407 O O . HOH K 6 . ? -10.386 6.317 -60.048 1.00 46.31 ? 459 HOH A O 1 HETATM 3408 O O . HOH K 6 . ? -0.181 -5.263 -39.975 1.00 38.48 ? 460 HOH A O 1 HETATM 3409 O O . HOH K 6 . ? -18.918 -11.685 -47.364 1.00 45.33 ? 461 HOH A O 1 HETATM 3410 O O . HOH K 6 . ? -2.786 -0.257 -29.205 1.00 37.36 ? 462 HOH A O 1 HETATM 3411 O O . HOH K 6 . ? -4.995 8.676 -59.036 1.00 32.44 ? 463 HOH A O 1 HETATM 3412 O O . HOH K 6 . ? -16.738 -1.409 -39.714 1.00 30.84 ? 464 HOH A O 1 HETATM 3413 O O . HOH K 6 . ? -4.344 10.206 -34.951 1.00 51.94 ? 465 HOH A O 1 HETATM 3414 O O . HOH K 6 . ? -25.574 18.947 -47.533 1.00 43.86 ? 466 HOH A O 1 HETATM 3415 O O . HOH K 6 . ? -16.800 18.717 -33.050 1.00 50.83 ? 467 HOH A O 1 HETATM 3416 O O . HOH K 6 . ? -17.011 -0.875 -37.146 1.00 30.80 ? 468 HOH A O 1 HETATM 3417 O O . HOH K 6 . ? -2.720 8.051 -58.470 1.00 51.51 ? 469 HOH A O 1 HETATM 3418 O O . HOH K 6 . ? -7.510 -15.247 -46.664 1.00 44.58 ? 470 HOH A O 1 HETATM 3419 O O . HOH K 6 . ? -12.280 21.319 -39.366 1.00 53.34 ? 471 HOH A O 1 HETATM 3420 O O . HOH K 6 . ? 8.367 -3.132 -40.029 1.00 59.02 ? 472 HOH A O 1 HETATM 3421 O O . HOH K 6 . ? -17.407 -5.638 -49.550 1.00 57.06 ? 473 HOH A O 1 HETATM 3422 O O . HOH K 6 . ? 0.214 15.266 -50.177 1.00 39.21 ? 474 HOH A O 1 HETATM 3423 O O . HOH K 6 . ? 2.910 18.423 -56.325 1.00 50.63 ? 475 HOH A O 1 HETATM 3424 O O . HOH K 6 . ? -11.560 20.175 -47.260 1.00 39.16 ? 476 HOH A O 1 HETATM 3425 O O . HOH K 6 . ? -5.704 -4.243 -56.957 1.00 40.13 ? 477 HOH A O 1 HETATM 3426 O O . HOH K 6 . ? 3.697 -1.850 -49.126 1.00 39.16 ? 478 HOH A O 1 HETATM 3427 O O . HOH K 6 . ? -5.964 -5.653 -54.335 1.00 45.98 ? 479 HOH A O 1 HETATM 3428 O O . HOH K 6 . ? 3.003 18.252 -58.985 1.00 49.36 ? 480 HOH A O 1 HETATM 3429 O O . HOH K 6 . ? -27.116 3.655 -40.210 1.00 63.16 ? 481 HOH A O 1 HETATM 3430 O O . HOH K 6 . ? -17.060 -0.263 -52.758 1.00 55.94 ? 482 HOH A O 1 HETATM 3431 O O . HOH K 6 . ? -10.223 25.111 -57.174 1.00 58.86 ? 483 HOH A O 1 HETATM 3432 O O . HOH K 6 . ? -11.542 21.142 -34.447 1.00 48.42 ? 484 HOH A O 1 HETATM 3433 O O . HOH K 6 . ? -14.366 -0.921 -42.126 1.00 51.35 ? 485 HOH A O 1 HETATM 3434 O O . HOH K 6 . ? -0.196 19.908 -52.210 0.50 61.29 ? 486 HOH A O 1 HETATM 3435 O O . HOH K 6 . ? -10.816 17.820 -71.901 1.00 48.53 ? 487 HOH A O 1 HETATM 3436 O O . HOH K 6 . ? -9.924 23.439 -54.234 1.00 44.64 ? 488 HOH A O 1 HETATM 3437 O O . HOH K 6 . ? -10.573 22.616 -46.205 1.00 48.93 ? 489 HOH A O 1 HETATM 3438 O O . HOH K 6 . ? 0.165 20.041 -57.109 0.50 39.46 ? 490 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLY A 5 ? 0.9713 1.1528 0.6926 0.3385 -0.0656 -0.1471 20 GLY B N 2 C CA . GLY A 5 ? 0.9830 1.1557 0.7161 0.3223 -0.0776 -0.1601 20 GLY B CA 3 C C . GLY A 5 ? 0.9797 1.1572 0.7378 0.3002 -0.0720 -0.1562 20 GLY B C 4 O O . GLY A 5 ? 0.9151 1.0895 0.6834 0.2866 -0.0662 -0.1514 20 GLY B O 5 N N . ASP A 6 ? 0.9471 1.1322 0.7139 0.2977 -0.0734 -0.1580 21 ASP B N 6 C CA . ASP A 6 ? 0.9391 1.1294 0.7277 0.2792 -0.0673 -0.1539 21 ASP B CA 7 C C . ASP A 6 ? 0.8564 1.0510 0.6491 0.2757 -0.0519 -0.1389 21 ASP B C 8 O O . ASP A 6 ? 0.8217 1.0165 0.6300 0.2595 -0.0465 -0.1351 21 ASP B O 9 C CB . ASP A 6 ? 1.0075 1.2061 0.8028 0.2800 -0.0713 -0.1579 21 ASP B CB 10 C CG . ASP A 6 ? 1.0700 1.2665 0.8781 0.2685 -0.0838 -0.1697 21 ASP B CG 11 O OD1 . ASP A 6 ? 1.1109 1.2980 0.9158 0.2665 -0.0936 -0.1779 21 ASP B OD1 12 O OD2 . ASP A 6 ? 1.1376 1.3418 0.9592 0.2615 -0.0838 -0.1702 21 ASP B OD2 13 N N . GLU A 7 ? 0.8425 1.0404 0.6212 0.2911 -0.0451 -0.1302 22 GLU B N 14 C CA . GLU A 7 ? 0.8970 1.0987 0.6793 0.2887 -0.0311 -0.1148 22 GLU B CA 15 C C . GLU A 7 ? 0.8241 1.0195 0.6138 0.2753 -0.0276 -0.1112 22 GLU B C 16 O O . GLU A 7 ? 0.7439 0.9413 0.5430 0.2664 -0.0180 -0.1002 22 GLU B O 17 C CB . GLU A 7 ? 0.9628 1.1695 0.7279 0.3093 -0.0256 -0.1059 22 GLU B CB 18 C CG . GLU A 7 ? 1.0847 1.2993 0.8423 0.3237 -0.0252 -0.1047 22 GLU B CG 19 C CD . GLU A 7 ? 1.1854 1.4016 0.9204 0.3475 -0.0273 -0.1048 22 GLU B CD 20 O OE1 . GLU A 7 ? 1.2409 1.4545 0.9668 0.3541 -0.0244 -0.1003 22 GLU B OE1 21 O OE2 . GLU A 7 ? 1.2952 1.5152 1.0211 0.3603 -0.0319 -0.1095 22 GLU B OE2 22 N N . LEU A 8 ? 0.7989 0.9862 0.5836 0.2747 -0.0359 -0.1204 23 LEU B N 23 C CA . LEU A 8 ? 0.7665 0.9473 0.5560 0.2640 -0.0334 -0.1177 23 LEU B CA 24 C C . LEU A 8 ? 0.7571 0.9331 0.5638 0.2434 -0.0368 -0.1238 23 LEU B C 25 O O . LEU A 8 ? 0.7191 0.8898 0.5311 0.2333 -0.0345 -0.1214 23 LEU B O 26 C CB . LEU A 8 ? 0.7718 0.9452 0.5452 0.2755 -0.0402 -0.1239 23 LEU B CB 27 C CG . LEU A 8 ? 0.8225 1.0001 0.5759 0.2986 -0.0374 -0.1186 23 LEU B CG 28 C CD1 . LEU A 8 ? 0.8655 1.0334 0.6012 0.3103 -0.0454 -0.1263 23 LEU B CD1 29 C CD2 . LEU A 8 ? 0.8195 1.0058 0.5754 0.3008 -0.0229 -0.1007 23 LEU B CD2 30 N N . LEU A 9 ? 0.7690 0.9473 0.5847 0.2376 -0.0421 -0.1309 24 LEU B N 31 C CA . LEU A 9 ? 0.7140 0.8885 0.5457 0.2193 -0.0458 -0.1367 24 LEU B CA 32 C C . LEU A 9 ? 0.6618 0.8411 0.5073 0.2077 -0.0371 -0.1294 24 LEU B C 33 O O . LEU A 9 ? 0.6536 0.8396 0.4982 0.2135 -0.0327 -0.1248 24 LEU B O 34 C CB . LEU A 9 ? 0.7359 0.9096 0.5700 0.2195 -0.0587 -0.1497 24 LEU B CB 35 C CG . LEU A 9 ? 0.7944 0.9609 0.6134 0.2316 -0.0699 -0.1589 24 LEU B CG 36 C CD1 . LEU A 9 ? 0.8117 0.9779 0.6365 0.2294 -0.0836 -0.1711 24 LEU B CD1 37 C CD2 . LEU A 9 ? 0.7893 0.9454 0.6049 0.2274 -0.0708 -0.1594 24 LEU B CD2 38 N N . ASN A 10 ? 0.6469 0.8216 0.5038 0.1919 -0.0347 -0.1283 25 ASN B N 39 C CA . ASN A 10 ? 0.6313 0.8084 0.5006 0.1803 -0.0278 -0.1230 25 ASN B CA 40 C C . ASN A 10 ? 0.5897 0.7696 0.4551 0.1847 -0.0176 -0.1108 25 ASN B C 41 O O . ASN A 10 ? 0.5702 0.7545 0.4381 0.1861 -0.0140 -0.1077 25 ASN B O 42 C CB . ASN A 10 ? 0.6710 0.8537 0.5481 0.1787 -0.0325 -0.1296 25 ASN B CB 43 C CG . ASN A 10 ? 0.7230 0.9060 0.6136 0.1648 -0.0274 -0.1269 25 ASN B CG 44 O OD1 . ASN A 10 ? 0.7300 0.9092 0.6295 0.1531 -0.0292 -0.1299 25 ASN B OD1 45 N ND2 . ASN A 10 ? 0.7447 0.9316 0.6359 0.1668 -0.0209 -0.1210 25 ASN B ND2 46 N N . ILE A 11 ? 0.5696 0.7470 0.4289 0.1875 -0.0132 -0.1035 26 ILE B N 47 C CA . ILE A 11 ? 0.5834 0.7635 0.4409 0.1906 -0.0040 -0.0904 26 ILE B CA 48 C C . ILE A 11 ? 0.5793 0.7541 0.4415 0.1801 0.0005 -0.0834 26 ILE B C 49 O O . ILE A 11 ? 0.5766 0.7464 0.4399 0.1744 -0.0031 -0.0885 26 ILE B O 50 C CB . ILE A 11 ? 0.6054 0.7912 0.4496 0.2090 -0.0026 -0.0856 26 ILE B CB 51 C CG1 . ILE A 11 ? 0.6210 0.8042 0.4555 0.2163 -0.0065 -0.0887 26 ILE B CG1 52 C CG2 . ILE A 11 ? 0.6240 0.8152 0.4634 0.2196 -0.0069 -0.0917 26 ILE B CG2 53 C CD1 . ILE A 11 ? 0.6178 0.8067 0.4387 0.2347 -0.0030 -0.0811 26 ILE B CD1 54 N N . CYS A 12 ? 0.5709 0.7466 0.4361 0.1776 0.0080 -0.0715 27 CYS B N 55 C CA . CYS A 12 ? 0.5577 0.7294 0.4275 0.1685 0.0124 -0.0630 27 CYS B CA 56 C C . CYS A 12 ? 0.5545 0.7321 0.4187 0.1792 0.0175 -0.0508 27 CYS B C 57 O O . CYS A 12 ? 0.5614 0.7446 0.4227 0.1882 0.0208 -0.0445 27 CYS B O 58 C CB . CYS A 12 ? 0.5435 0.7103 0.4226 0.1554 0.0160 -0.0586 27 CYS B CB 59 S SG . CYS A 12 ? 0.5531 0.7149 0.4390 0.1444 0.0116 -0.0709 27 CYS B SG 60 N N . MET A 13 ? 0.5266 0.7035 0.3895 0.1787 0.0185 -0.0467 28 MET B N 61 C CA . MET A 13 ? 0.5141 0.6980 0.3740 0.1878 0.0245 -0.0328 28 MET B CA 62 C C . MET A 13 ? 0.4890 0.6737 0.3583 0.1803 0.0301 -0.0200 28 MET B C 63 O O . MET A 13 ? 0.4602 0.6375 0.3381 0.1657 0.0295 -0.0214 28 MET B O 64 C CB . MET A 13 ? 0.5205 0.7036 0.3788 0.1872 0.0249 -0.0298 28 MET B CB 65 C CG . MET A 13 ? 0.5052 0.6831 0.3747 0.1704 0.0266 -0.0247 28 MET B CG 66 S SD . MET A 13 ? 0.5196 0.6978 0.3866 0.1715 0.0272 -0.0211 28 MET B SD 67 C CE . MET A 13 ? 0.4970 0.6650 0.3597 0.1668 0.0188 -0.0402 28 MET B CE 68 N N . ASN A 14 ? 0.5219 0.7151 0.3895 0.1908 0.0355 -0.0071 29 ASN B N 69 C CA . ASN A 14 ? 0.5404 0.7348 0.4173 0.1850 0.0406 0.0073 29 ASN B CA 70 C C . ASN A 14 ? 0.5779 0.7729 0.4628 0.1769 0.0432 0.0184 29 ASN B C 71 O O . ASN A 14 ? 0.5848 0.7894 0.4706 0.1849 0.0481 0.0324 29 ASN B O 72 C CB . ASN A 14 ? 0.5553 0.7598 0.4280 0.2002 0.0454 0.0175 29 ASN B CB 73 C CG . ASN A 14 ? 0.5926 0.7973 0.4574 0.2089 0.0428 0.0075 29 ASN B CG 74 O OD1 . ASN A 14 ? 0.5762 0.7737 0.4416 0.2016 0.0379 -0.0053 29 ASN B OD1 75 N ND2 . ASN A 14 ? 0.6544 0.8685 0.5121 0.2252 0.0463 0.0142 29 ASN B ND2 76 N N . ALA A 15 ? 0.5489 0.7346 0.4396 0.1617 0.0400 0.0128 30 ALA B N 77 C CA . ALA A 15 ? 0.5570 0.7417 0.4563 0.1517 0.0415 0.0229 30 ALA B CA 78 C C . ALA A 15 ? 0.5909 0.7660 0.4996 0.1363 0.0403 0.0255 30 ALA B C 79 O O . ALA A 15 ? 0.5216 0.6907 0.4289 0.1343 0.0388 0.0190 30 ALA B O 80 C CB . ALA A 15 ? 0.5808 0.7622 0.4773 0.1482 0.0385 0.0142 30 ALA B CB 81 N N . LYS A 16 ? 0.5481 0.7209 0.4657 0.1257 0.0406 0.0349 31 LYS B N 82 C CA . LYS A 16 ? 0.5683 0.7320 0.4937 0.1138 0.0393 0.0404 31 LYS B CA 83 C C . LYS A 16 ? 0.5082 0.6575 0.4313 0.1034 0.0350 0.0270 31 LYS B C 84 O O . LYS A 16 ? 0.4974 0.6390 0.4226 0.0986 0.0342 0.0293 31 LYS B O 85 C CB . LYS A 16 ? 0.6258 0.7907 0.5623 0.1052 0.0397 0.0553 31 LYS B CB 86 C CG . LYS A 16 ? 0.6804 0.8408 0.6191 0.0954 0.0370 0.0519 31 LYS B CG 87 C CD . LYS A 16 ? 0.7533 0.9113 0.7040 0.0838 0.0355 0.0657 31 LYS B CD 88 C CE . LYS A 16 ? 0.7905 0.9631 0.7482 0.0886 0.0390 0.0806 31 LYS B CE 89 N NZ . LYS A 16 ? 0.8329 1.0049 0.8049 0.0776 0.0371 0.0963 31 LYS B NZ 90 N N . HIS A 17 ? 0.4565 0.6020 0.3752 0.1006 0.0325 0.0138 32 HIS B N 91 C CA . HIS A 17 ? 0.4749 0.6081 0.3922 0.0911 0.0292 0.0025 32 HIS B CA 92 C C . HIS A 17 ? 0.4414 0.5758 0.3524 0.0980 0.0285 -0.0098 32 HIS B C 93 O O . HIS A 17 ? 0.4058 0.5321 0.3159 0.0928 0.0271 -0.0165 32 HIS B O 94 C CB . HIS A 17 ? 0.4827 0.6098 0.4010 0.0811 0.0268 -0.0031 32 HIS B CB 95 C CG . HIS A 17 ? 0.5142 0.6424 0.4386 0.0755 0.0271 0.0081 32 HIS B CG 96 N ND1 . HIS A 17 ? 0.5073 0.6296 0.4379 0.0674 0.0261 0.0184 32 HIS B ND1 97 C CD2 . HIS A 17 ? 0.5121 0.6470 0.4377 0.0772 0.0278 0.0113 32 HIS B CD2 98 C CE1 . HIS A 17 ? 0.5277 0.6540 0.4642 0.0637 0.0261 0.0276 32 HIS B CE1 99 N NE2 . HIS A 17 ? 0.5206 0.6548 0.4539 0.0700 0.0277 0.0236 32 HIS B NE2 100 N N . HIS A 18 ? 0.4284 0.5726 0.3347 0.1099 0.0292 -0.0128 33 HIS B N 101 C CA . HIS A 18 ? 0.4629 0.6083 0.3642 0.1152 0.0269 -0.0257 33 HIS B CA 102 C C . HIS A 18 ? 0.4501 0.5933 0.3506 0.1170 0.0275 -0.0271 33 HIS B C 103 O O . HIS A 18 ? 0.4225 0.5668 0.3238 0.1203 0.0302 -0.0174 33 HIS B O 104 C CB . HIS A 18 ? 0.4888 0.6441 0.3837 0.1291 0.0266 -0.0278 33 HIS B CB 105 C CG . HIS A 18 ? 0.5014 0.6572 0.3946 0.1286 0.0246 -0.0316 33 HIS B CG 106 N ND1 . HIS A 18 ? 0.4956 0.6526 0.3914 0.1261 0.0269 -0.0222 33 HIS B ND1 107 C CD2 . HIS A 18 ? 0.5112 0.6660 0.4008 0.1302 0.0203 -0.0434 33 HIS B CD2 108 C CE1 . HIS A 18 ? 0.5097 0.6662 0.4022 0.1270 0.0244 -0.0283 33 HIS B CE1 109 N NE2 . HIS A 18 ? 0.5003 0.6548 0.3890 0.1292 0.0201 -0.0413 33 HIS B NE2 110 N N . LYS A 19 ? 0.4596 0.5999 0.3593 0.1147 0.0249 -0.0387 34 LYS B N 111 C CA . LYS A 19 ? 0.4582 0.5984 0.3561 0.1187 0.0253 -0.0418 34 LYS B CA 112 C C . LYS A 19 ? 0.4706 0.6212 0.3637 0.1333 0.0259 -0.0407 34 LYS B C 113 O O . LYS A 19 ? 0.4636 0.6208 0.3534 0.1403 0.0243 -0.0432 34 LYS B O 114 C CB . LYS A 19 ? 0.4709 0.6087 0.3701 0.1142 0.0225 -0.0539 34 LYS B CB 115 C CG . LYS A 19 ? 0.4785 0.6056 0.3808 0.1012 0.0226 -0.0546 34 LYS B CG 116 C CD . LYS A 19 ? 0.5475 0.6729 0.4512 0.0981 0.0215 -0.0638 34 LYS B CD 117 C CE . LYS A 19 ? 0.5691 0.7005 0.4759 0.0978 0.0182 -0.0730 34 LYS B CE 118 N NZ . LYS A 19 ? 0.5390 0.6748 0.4482 0.1000 0.0171 -0.0805 34 LYS B NZ 119 N N . ARG A 20 ? 0.4669 0.6180 0.3585 0.1385 0.0280 -0.0368 35 ARG B N 120 C CA . ARG A 20 ? 0.4843 0.6450 0.3706 0.1531 0.0290 -0.0350 35 ARG B CA 121 C C . ARG A 20 ? 0.4778 0.6447 0.3604 0.1596 0.0245 -0.0476 35 ARG B C 122 O O . ARG A 20 ? 0.5123 0.6866 0.3893 0.1706 0.0233 -0.0482 35 ARG B O 123 C CB . ARG A 20 ? 0.5173 0.6755 0.4030 0.1557 0.0314 -0.0309 35 ARG B CB 124 C CG . ARG A 20 ? 0.5865 0.7513 0.4691 0.1673 0.0351 -0.0198 35 ARG B CG 125 C CD . ARG A 20 ? 0.5674 0.7393 0.4442 0.1798 0.0346 -0.0249 35 ARG B CD 126 N NE . ARG A 20 ? 0.6394 0.8053 0.5174 0.1750 0.0333 -0.0318 35 ARG B NE 127 C CZ . ARG A 20 ? 0.6717 0.8428 0.5468 0.1819 0.0310 -0.0407 35 ARG B CZ 128 N NH1 . ARG A 20 ? 0.6999 0.8656 0.5767 0.1772 0.0306 -0.0455 35 ARG B NH1 129 N NH2 . ARG A 20 ? 0.7214 0.9029 0.5913 0.1941 0.0289 -0.0446 35 ARG B NH2 130 N N . VAL A 21 ? 0.4756 0.6391 0.3615 0.1527 0.0215 -0.0572 36 VAL B N 131 C CA . VAL A 21 ? 0.5379 0.7069 0.4230 0.1569 0.0162 -0.0689 36 VAL B CA 132 C C . VAL A 21 ? 0.5157 0.6796 0.4074 0.1444 0.0134 -0.0764 36 VAL B C 133 O O . VAL A 21 ? 0.5299 0.6867 0.4257 0.1345 0.0160 -0.0741 36 VAL B O 134 C CB . VAL A 21 ? 0.5801 0.7540 0.4634 0.1649 0.0161 -0.0714 36 VAL B CB 135 C CG1 . VAL A 21 ? 0.5891 0.7637 0.4781 0.1595 0.0126 -0.0813 36 VAL B CG1 136 C CG2 . VAL A 21 ? 0.5735 0.7561 0.4490 0.1802 0.0144 -0.0716 36 VAL B CG2 137 N N . PRO A 22 ? 0.5229 0.6898 0.4152 0.1452 0.0078 -0.0852 37 PRO B N 138 C CA . PRO A 22 ? 0.5199 0.6828 0.4197 0.1334 0.0054 -0.0914 37 PRO B CA 139 C C . PRO A 22 ? 0.5512 0.7154 0.4570 0.1294 0.0055 -0.0955 37 PRO B C 140 O O . PRO A 22 ? 0.5256 0.6959 0.4300 0.1373 0.0046 -0.0973 37 PRO B O 141 C CB . PRO A 22 ? 0.5248 0.6908 0.4238 0.1367 -0.0016 -0.0998 37 PRO B CB 142 C CG . PRO A 22 ? 0.5417 0.7130 0.4312 0.1513 -0.0032 -0.0989 37 PRO B CG 143 C CD . PRO A 22 ? 0.5393 0.7129 0.4255 0.1571 0.0028 -0.0902 37 PRO B CD 144 N N . SER A 23 ? 0.5285 0.6874 0.4404 0.1180 0.0068 -0.0966 38 SER B N 145 C CA . SER A 23 ? 0.5529 0.7140 0.4710 0.1145 0.0070 -0.1005 38 SER B CA 146 C C . SER A 23 ? 0.5501 0.7065 0.4748 0.1027 0.0075 -0.1023 38 SER B C 147 O O . SER A 23 ? 0.5292 0.6780 0.4520 0.0967 0.0091 -0.0988 38 SER B O 148 C CB . SER A 23 ? 0.5511 0.7094 0.4656 0.1172 0.0122 -0.0953 38 SER B CB 149 O OG . SER A 23 ? 0.5489 0.6964 0.4600 0.1112 0.0164 -0.0884 38 SER B OG 150 N N . PRO A 24 ? 0.5526 0.7140 0.4853 0.0997 0.0064 -0.1069 39 PRO B N 151 C CA . PRO A 24 ? 0.5415 0.6992 0.4807 0.0891 0.0077 -0.1077 39 PRO B CA 152 C C . PRO A 24 ? 0.5293 0.6757 0.4628 0.0839 0.0136 -0.1018 39 PRO B C 153 O O . PRO A 24 ? 0.5525 0.6951 0.4796 0.0880 0.0170 -0.0978 39 PRO B O 154 C CB . PRO A 24 ? 0.5554 0.7224 0.5039 0.0891 0.0070 -0.1113 39 PRO B CB 155 C CG . PRO A 24 ? 0.5524 0.7289 0.5011 0.0987 0.0026 -0.1147 39 PRO B CG 156 C CD . PRO A 24 ? 0.5557 0.7275 0.4927 0.1061 0.0043 -0.1107 39 PRO B CD 157 N N . GLU A 25 ? 0.5077 0.6479 0.4430 0.0752 0.0142 -0.1012 40 GLU B N 158 C CA . GLU A 25 ? 0.4895 0.6182 0.4194 0.0696 0.0186 -0.0964 40 GLU B CA 159 C C . GLU A 25 ? 0.5137 0.6417 0.4488 0.0632 0.0207 -0.0982 40 GLU B C 160 O O . GLU A 25 ? 0.4932 0.6248 0.4359 0.0580 0.0187 -0.1010 40 GLU B O 161 C CB . GLU A 25 ? 0.4879 0.6094 0.4139 0.0657 0.0179 -0.0927 40 GLU B CB 162 C CG . GLU A 25 ? 0.4698 0.5908 0.3897 0.0721 0.0177 -0.0878 40 GLU B CG 163 C CD . GLU A 25 ? 0.4506 0.5648 0.3644 0.0743 0.0208 -0.0824 40 GLU B CD 164 O OE1 . GLU A 25 ? 0.4479 0.5645 0.3584 0.0813 0.0210 -0.0788 40 GLU B OE1 165 O OE2 . GLU A 25 ? 0.4535 0.5591 0.3650 0.0695 0.0230 -0.0815 40 GLU B OE2 166 N N . ASP A 26 ? 0.5104 0.6333 0.4407 0.0641 0.0248 -0.0961 41 ASP B N 167 C CA . ASP A 26 ? 0.5704 0.6930 0.5039 0.0601 0.0280 -0.0968 41 ASP B CA 168 C C . ASP A 26 ? 0.5939 0.7091 0.5274 0.0515 0.0281 -0.0958 41 ASP B C 169 O O . ASP A 26 ? 0.5662 0.6858 0.5071 0.0472 0.0290 -0.0972 41 ASP B O 170 C CB . ASP A 26 ? 0.5731 0.6882 0.4975 0.0641 0.0324 -0.0944 41 ASP B CB 171 C CG . ASP A 26 ? 0.6039 0.7276 0.5291 0.0732 0.0328 -0.0955 41 ASP B CG 172 O OD1 . ASP A 26 ? 0.6014 0.7384 0.5358 0.0759 0.0298 -0.0985 41 ASP B OD1 173 O OD2 . ASP A 26 ? 0.6239 0.7403 0.5399 0.0781 0.0357 -0.0935 41 ASP B OD2 174 N N . LYS A 27 ? 0.5943 0.6995 0.5204 0.0492 0.0272 -0.0927 42 LYS B N 175 C CA . LYS A 27 ? 0.5859 0.6840 0.5114 0.0414 0.0269 -0.0913 42 LYS B CA 176 C C . LYS A 27 ? 0.5472 0.6428 0.4707 0.0404 0.0238 -0.0889 42 LYS B C 177 O O . LYS A 27 ? 0.5306 0.6224 0.4484 0.0437 0.0235 -0.0853 42 LYS B O 178 C CB . LYS A 27 ? 0.5973 0.6823 0.5135 0.0385 0.0299 -0.0885 42 LYS B CB 179 C CG . LYS A 27 ? 0.6331 0.7118 0.5491 0.0307 0.0298 -0.0874 42 LYS B CG 180 C CD . LYS A 27 ? 0.6921 0.7568 0.5974 0.0283 0.0319 -0.0851 42 LYS B CD 181 C CE . LYS A 27 ? 0.7092 0.7684 0.6144 0.0209 0.0313 -0.0840 42 LYS B CE 182 N NZ . LYS A 27 ? 0.7661 0.8096 0.6591 0.0186 0.0314 -0.0815 42 LYS B NZ 183 N N . LEU A 28 ? 0.5367 0.6346 0.4653 0.0360 0.0218 -0.0904 43 LEU B N 184 C CA . LEU A 28 ? 0.4924 0.5867 0.4184 0.0342 0.0199 -0.0872 43 LEU B CA 185 C C . LEU A 28 ? 0.5226 0.6111 0.4494 0.0262 0.0203 -0.0866 43 LEU B C 186 O O . LEU A 28 ? 0.4621 0.5527 0.3941 0.0227 0.0211 -0.0897 43 LEU B O 187 C CB . LEU A 28 ? 0.4784 0.5813 0.4081 0.0390 0.0163 -0.0897 43 LEU B CB 188 C CG . LEU A 28 ? 0.4800 0.5896 0.4082 0.0482 0.0153 -0.0902 43 LEU B CG 189 C CD1 . LEU A 28 ? 0.4761 0.5928 0.4065 0.0531 0.0110 -0.0939 43 LEU B CD1 190 C CD2 . LEU A 28 ? 0.4609 0.5655 0.3823 0.0508 0.0172 -0.0833 43 LEU B CD2 191 N N . TYR A 29 ? 0.4990 0.5812 0.4215 0.0235 0.0197 -0.0819 44 TYR B N 192 C CA . TYR A 29 ? 0.4964 0.5718 0.4180 0.0163 0.0201 -0.0803 44 TYR B CA 193 C C . TYR A 29 ? 0.4935 0.5732 0.4205 0.0143 0.0182 -0.0828 44 TYR B C 194 O O . TYR A 29 ? 0.4681 0.5524 0.3960 0.0182 0.0159 -0.0826 44 TYR B O 195 C CB . TYR A 29 ? 0.5240 0.5914 0.4397 0.0141 0.0195 -0.0737 44 TYR B CB 196 C CG . TYR A 29 ? 0.5891 0.6466 0.5009 0.0073 0.0202 -0.0724 44 TYR B CG 197 C CD1 . TYR A 29 ? 0.6354 0.6853 0.5415 0.0068 0.0219 -0.0734 44 TYR B CD1 198 C CD2 . TYR A 29 ? 0.6391 0.6943 0.5516 0.0022 0.0192 -0.0703 44 TYR B CD2 199 C CE1 . TYR A 29 ? 0.6541 0.6939 0.5546 0.0016 0.0223 -0.0725 44 TYR B CE1 200 C CE2 . TYR A 29 ? 0.6540 0.6997 0.5620 -0.0036 0.0196 -0.0691 44 TYR B CE2 201 C CZ . TYR A 29 ? 0.6804 0.7182 0.5820 -0.0037 0.0211 -0.0704 44 TYR B CZ 202 O OH . TYR A 29 ? 0.7093 0.7369 0.6044 -0.0081 0.0213 -0.0697 44 TYR B OH 203 N N . GLU A 30 ? 0.4843 0.5625 0.4146 0.0091 0.0193 -0.0850 45 GLU B N 204 C CA . GLU A 30 ? 0.5074 0.5862 0.4421 0.0054 0.0177 -0.0865 45 GLU B CA 205 C C . GLU A 30 ? 0.4779 0.5629 0.4160 0.0099 0.0137 -0.0896 45 GLU B C 206 O O . GLU A 30 ? 0.4248 0.5160 0.3688 0.0123 0.0116 -0.0944 45 GLU B O 207 C CB . GLU A 30 ? 0.6028 0.6732 0.5323 0.0002 0.0185 -0.0818 45 GLU B CB 208 C CG . GLU A 30 ? 0.6527 0.7157 0.5782 -0.0041 0.0216 -0.0803 45 GLU B CG 209 C CD . GLU A 30 ? 0.7147 0.7798 0.6458 -0.0072 0.0237 -0.0833 45 GLU B CD 210 O OE1 . GLU A 30 ? 0.7279 0.7973 0.6619 -0.0050 0.0258 -0.0854 45 GLU B OE1 211 O OE2 . GLU A 30 ? 0.7312 0.7946 0.6647 -0.0116 0.0236 -0.0829 45 GLU B OE2 212 N N . GLU A 31 ? 0.4456 0.5288 0.3799 0.0113 0.0122 -0.0868 46 GLU B N 213 C CA . GLU A 31 ? 0.4636 0.5509 0.3984 0.0170 0.0083 -0.0898 46 GLU B CA 214 C C . GLU A 31 ? 0.4695 0.5636 0.4036 0.0255 0.0065 -0.0923 46 GLU B C 215 O O . GLU A 31 ? 0.4645 0.5615 0.3991 0.0304 0.0023 -0.0968 46 GLU B O 216 C CB . GLU A 31 ? 0.4650 0.5499 0.3943 0.0187 0.0081 -0.0848 46 GLU B CB 217 C CG . GLU A 31 ? 0.4806 0.5594 0.4100 0.0116 0.0091 -0.0825 46 GLU B CG 218 C CD . GLU A 31 ? 0.4870 0.5638 0.4216 0.0076 0.0070 -0.0881 46 GLU B CD 219 O OE1 . GLU A 31 ? 0.4832 0.5628 0.4202 0.0116 0.0030 -0.0937 46 GLU B OE1 220 O OE2 . GLU A 31 ? 0.5126 0.5846 0.4487 0.0004 0.0089 -0.0866 46 GLU B OE2 221 N N . CYS A 32 ? 0.4457 0.5412 0.3776 0.0277 0.0091 -0.0895 47 CYS B N 222 C CA . CYS A 32 ? 0.4575 0.5596 0.3883 0.0364 0.0077 -0.0913 47 CYS B CA 223 C C . CYS A 32 ? 0.4910 0.5978 0.4279 0.0364 0.0066 -0.0971 47 CYS B C 224 O O . CYS A 32 ? 0.4855 0.5982 0.4220 0.0435 0.0050 -0.0993 47 CYS B O 225 C CB . CYS A 32 ? 0.4634 0.5650 0.3892 0.0396 0.0107 -0.0847 47 CYS B CB 226 S SG . CYS A 32 ? 0.4274 0.5261 0.3485 0.0398 0.0121 -0.0753 47 CYS B SG 227 N N . ILE A 33 ? 0.4952 0.6002 0.4380 0.0291 0.0075 -0.0990 48 ILE B N 228 C CA . ILE A 33 ? 0.5215 0.6326 0.4721 0.0286 0.0071 -0.1030 48 ILE B CA 229 C C . ILE A 33 ? 0.5025 0.6210 0.4578 0.0339 0.0011 -0.1089 48 ILE B C 230 O O . ILE A 33 ? 0.5192 0.6444 0.4778 0.0377 0.0006 -0.1109 48 ILE B O 231 C CB . ILE A 33 ? 0.5110 0.6200 0.4682 0.0200 0.0093 -0.1029 48 ILE B CB 232 C CG1 . ILE A 33 ? 0.5315 0.6346 0.4828 0.0175 0.0152 -0.0982 48 ILE B CG1 233 C CG2 . ILE A 33 ? 0.5210 0.6386 0.4899 0.0191 0.0074 -0.1068 48 ILE B CG2 234 C CD1 . ILE A 33 ? 0.5339 0.6331 0.4879 0.0103 0.0183 -0.0967 48 ILE B CD1 235 N N . PRO A 34 ? 0.5028 0.6193 0.4573 0.0349 -0.0039 -0.1117 49 PRO B N 236 C CA . PRO A 34 ? 0.4985 0.6200 0.4560 0.0404 -0.0110 -0.1180 49 PRO B CA 237 C C . PRO A 34 ? 0.5059 0.6335 0.4586 0.0503 -0.0120 -0.1190 49 PRO B C 238 O O . PRO A 34 ? 0.4915 0.6249 0.4491 0.0535 -0.0173 -0.1242 49 PRO B O 239 C CB . PRO A 34 ? 0.4801 0.5953 0.4319 0.0422 -0.0153 -0.1197 49 PRO B CB 240 C CG . PRO A 34 ? 0.4671 0.5758 0.4199 0.0335 -0.0112 -0.1157 49 PRO B CG 241 C CD . PRO A 34 ? 0.4662 0.5752 0.4164 0.0319 -0.0039 -0.1097 49 PRO B CD 242 N N . TRP A 35 ? 0.4867 0.6132 0.4307 0.0549 -0.0072 -0.1137 50 TRP B N 243 C CA . TRP A 35 ? 0.4789 0.6108 0.4178 0.0649 -0.0075 -0.1135 50 TRP B CA 244 C C . TRP A 35 ? 0.4830 0.6193 0.4250 0.0650 -0.0038 -0.1121 50 TRP B C 245 O O . TRP A 35 ? 0.5035 0.6444 0.4416 0.0732 -0.0037 -0.1118 50 TRP B O 246 C CB . TRP A 35 ? 0.4719 0.6010 0.4005 0.0707 -0.0047 -0.1075 50 TRP B CB 247 C CG . TRP A 35 ? 0.4682 0.5948 0.3920 0.0746 -0.0090 -0.1096 50 TRP B CG 248 C CD1 . TRP A 35 ? 0.4793 0.6087 0.3974 0.0849 -0.0144 -0.1140 50 TRP B CD1 249 C CD2 . TRP A 35 ? 0.4625 0.5827 0.3857 0.0689 -0.0087 -0.1080 50 TRP B CD2 250 N NE1 . TRP A 35 ? 0.5019 0.6261 0.4150 0.0865 -0.0173 -0.1151 50 TRP B NE1 251 C CE2 . TRP A 35 ? 0.4835 0.6025 0.4003 0.0765 -0.0137 -0.1113 50 TRP B CE2 252 C CE3 . TRP A 35 ? 0.4641 0.5789 0.3907 0.0587 -0.0047 -0.1040 50 TRP B CE3 253 C CZ2 . TRP A 35 ? 0.4824 0.5952 0.3963 0.0743 -0.0146 -0.1106 50 TRP B CZ2 254 C CZ3 . TRP A 35 ? 0.4634 0.5728 0.3879 0.0560 -0.0057 -0.1032 50 TRP B CZ3 255 C CH2 . TRP A 35 ? 0.4805 0.5890 0.3990 0.0637 -0.0103 -0.1063 50 TRP B CH2 256 N N . LYS A 36 ? 0.4759 0.6111 0.4244 0.0570 -0.0006 -0.1114 51 LYS B N 257 C CA . LYS A 36 ? 0.5037 0.6411 0.4526 0.0580 0.0040 -0.1091 51 LYS B CA 258 C C . LYS A 36 ? 0.5206 0.6683 0.4745 0.0642 0.0013 -0.1130 51 LYS B C 259 O O . LYS A 36 ? 0.4857 0.6352 0.4367 0.0683 0.0048 -0.1108 51 LYS B O 260 C CB . LYS A 36 ? 0.5137 0.6469 0.4663 0.0493 0.0084 -0.1069 51 LYS B CB 261 C CG . LYS A 36 ? 0.5329 0.6723 0.4978 0.0443 0.0066 -0.1104 51 LYS B CG 262 C CD . LYS A 36 ? 0.5637 0.6980 0.5304 0.0364 0.0116 -0.1073 51 LYS B CD 263 C CE . LYS A 36 ? 0.5948 0.7256 0.5550 0.0383 0.0178 -0.1036 51 LYS B CE 264 N NZ . LYS A 36 ? 0.6294 0.7692 0.5928 0.0446 0.0184 -0.1049 51 LYS B NZ 265 N N . ASP A 37 ? 0.5367 0.6904 0.4975 0.0650 -0.0054 -0.1188 52 ASP B N 266 C CA . ASP A 37 ? 0.5808 0.7445 0.5459 0.0716 -0.0097 -0.1228 52 ASP B CA 267 C C . ASP A 37 ? 0.5809 0.7456 0.5353 0.0824 -0.0093 -0.1217 52 ASP B C 268 O O . ASP A 37 ? 0.5723 0.7440 0.5277 0.0883 -0.0093 -0.1224 52 ASP B O 269 C CB . ASP A 37 ? 0.6516 0.8190 0.6238 0.0712 -0.0192 -0.1295 52 ASP B CB 270 C CG . ASP A 37 ? 0.7142 0.8831 0.7002 0.0608 -0.0208 -0.1306 52 ASP B CG 271 O OD1 . ASP A 37 ? 0.8325 1.0037 0.8245 0.0556 -0.0146 -0.1267 52 ASP B OD1 272 O OD2 . ASP A 37 ? 0.8658 1.0330 0.8563 0.0582 -0.0285 -0.1351 52 ASP B OD2 273 N N . ASN A 38 ? 0.5465 0.7050 0.4912 0.0857 -0.0092 -0.1196 53 ASN B N 274 C CA . ASN A 38 ? 0.5214 0.6814 0.4560 0.0966 -0.0086 -0.1172 53 ASN B CA 275 C C . ASN A 38 ? 0.5125 0.6656 0.4383 0.0978 -0.0060 -0.1119 53 ASN B C 276 O O . ASN A 38 ? 0.5096 0.6610 0.4324 0.0999 -0.0102 -0.1144 53 ASN B O 277 C CB . ASN A 38 ? 0.5183 0.6852 0.4527 0.1052 -0.0165 -0.1240 53 ASN B CB 278 C CG . ASN A 38 ? 0.5358 0.7057 0.4598 0.1178 -0.0156 -0.1216 53 ASN B CG 279 O OD1 . ASN A 38 ? 0.5555 0.7263 0.4770 0.1202 -0.0096 -0.1161 53 ASN B OD1 280 N ND2 . ASN A 38 ? 0.5565 0.7275 0.4739 0.1265 -0.0216 -0.1255 53 ASN B ND2 281 N N . ALA A 39 ? 0.5114 0.6604 0.4332 0.0967 0.0003 -0.1042 54 ALA B N 282 C CA . ALA A 39 ? 0.5066 0.6495 0.4234 0.0948 0.0032 -0.0977 54 ALA B CA 283 C C . ALA A 39 ? 0.4943 0.6382 0.4045 0.1024 0.0069 -0.0899 54 ALA B C 284 O O . ALA A 39 ? 0.4588 0.6043 0.3684 0.1054 0.0092 -0.0880 54 ALA B O 285 C CB . ALA A 39 ? 0.5280 0.6633 0.4485 0.0831 0.0067 -0.0947 54 ALA B CB 286 N N . CYS A 40 ? 0.4467 0.5897 0.3522 0.1054 0.0077 -0.0845 55 CYS B N 287 C CA . CYS A 40 ? 0.4437 0.5875 0.3450 0.1106 0.0120 -0.0743 55 CYS B CA 288 C C . CYS A 40 ? 0.4329 0.5691 0.3368 0.1007 0.0157 -0.0662 55 CYS B C 289 O O . CYS A 40 ? 0.3984 0.5345 0.3010 0.1029 0.0189 -0.0566 55 CYS B O 290 C CB . CYS A 40 ? 0.4787 0.6273 0.3738 0.1206 0.0112 -0.0715 55 CYS B CB 291 S SG . CYS A 40 ? 0.5263 0.6827 0.4148 0.1354 0.0065 -0.0792 55 CYS B SG 292 N N . CYS A 41 ? 0.4299 0.5598 0.3378 0.0899 0.0150 -0.0697 56 CYS B N 293 C CA . CYS A 41 ? 0.4325 0.5539 0.3421 0.0802 0.0174 -0.0633 56 CYS B CA 294 C C . CYS A 41 ? 0.4219 0.5366 0.3326 0.0743 0.0185 -0.0655 56 CYS B C 295 O O . CYS A 41 ? 0.4042 0.5206 0.3169 0.0737 0.0174 -0.0733 56 CYS B O 296 C CB . CYS A 41 ? 0.4174 0.5354 0.3290 0.0729 0.0161 -0.0646 56 CYS B CB 297 S SG . CYS A 41 ? 0.4625 0.5797 0.3780 0.0678 0.0131 -0.0763 56 CYS B SG 298 N N . THR A 42 ? 0.3992 0.5063 0.3085 0.0703 0.0203 -0.0582 57 THR B N 299 C CA . THR A 42 ? 0.4247 0.5222 0.3325 0.0646 0.0211 -0.0596 57 THR B CA 300 C C . THR A 42 ? 0.4464 0.5368 0.3553 0.0548 0.0204 -0.0620 57 THR B C 301 O O . THR A 42 ? 0.4450 0.5368 0.3561 0.0515 0.0195 -0.0611 57 THR B O 302 C CB . THR A 42 ? 0.4273 0.5166 0.3323 0.0636 0.0218 -0.0507 57 THR B CB 303 O OG1 . THR A 42 ? 0.3960 0.4832 0.3031 0.0589 0.0211 -0.0430 57 THR B OG1 304 C CG2 . THR A 42 ? 0.4198 0.5151 0.3235 0.0734 0.0231 -0.0473 57 THR B CG2 305 N N . LEU A 43 ? 0.4546 0.5370 0.3611 0.0510 0.0212 -0.0648 58 LEU B N 306 C CA . LEU A 43 ? 0.4463 0.5205 0.3520 0.0425 0.0211 -0.0663 58 LEU B CA 307 C C . LEU A 43 ? 0.4285 0.4954 0.3331 0.0366 0.0196 -0.0591 58 LEU B C 308 O O . LEU A 43 ? 0.4259 0.4925 0.3326 0.0313 0.0189 -0.0593 58 LEU B O 309 C CB . LEU A 43 ? 0.4727 0.5384 0.3733 0.0415 0.0226 -0.0691 58 LEU B CB 310 C CG . LEU A 43 ? 0.5057 0.5614 0.4032 0.0340 0.0227 -0.0702 58 LEU B CG 311 C CD1 . LEU A 43 ? 0.5379 0.6015 0.4418 0.0312 0.0234 -0.0751 58 LEU B CD1 312 C CD2 . LEU A 43 ? 0.5460 0.5920 0.4357 0.0354 0.0243 -0.0719 58 LEU B CD2 313 N N . THR A 44 ? 0.4341 0.4955 0.3363 0.0373 0.0188 -0.0521 59 THR B N 314 C CA . THR A 44 ? 0.4406 0.4954 0.3434 0.0312 0.0167 -0.0440 59 THR B CA 315 C C . THR A 44 ? 0.4458 0.5112 0.3543 0.0320 0.0168 -0.0405 59 THR B C 316 O O . THR A 44 ? 0.4180 0.4805 0.3281 0.0256 0.0154 -0.0375 59 THR B O 317 C CB . THR A 44 ? 0.4725 0.5213 0.3740 0.0324 0.0153 -0.0358 59 THR B CB 318 O OG1 . THR A 44 ? 0.4628 0.4993 0.3571 0.0321 0.0147 -0.0392 59 THR B OG1 319 C CG2 . THR A 44 ? 0.4525 0.4959 0.3571 0.0252 0.0122 -0.0262 59 THR B CG2 320 N N . THR A 45 ? 0.4307 0.5080 0.3414 0.0404 0.0183 -0.0410 60 THR B N 321 C CA . THR A 45 ? 0.4408 0.5279 0.3549 0.0434 0.0185 -0.0381 60 THR B CA 322 C C . THR A 45 ? 0.4327 0.5197 0.3474 0.0392 0.0178 -0.0452 60 THR B C 323 O O . THR A 45 ? 0.3969 0.4847 0.3133 0.0361 0.0173 -0.0416 60 THR B O 324 C CB . THR A 45 ? 0.4316 0.5301 0.3453 0.0548 0.0198 -0.0383 60 THR B CB 325 O OG1 . THR A 45 ? 0.4326 0.5316 0.3467 0.0583 0.0209 -0.0293 60 THR B OG1 326 C CG2 . THR A 45 ? 0.4458 0.5531 0.3604 0.0595 0.0199 -0.0373 60 THR B CG2 327 N N . SER A 46 ? 0.4155 0.5019 0.3295 0.0390 0.0178 -0.0545 61 SER B N 328 C CA . SER A 46 ? 0.4007 0.4870 0.3164 0.0348 0.0171 -0.0606 61 SER B CA 329 C C . SER A 46 ? 0.4199 0.4968 0.3350 0.0253 0.0168 -0.0578 61 SER B C 330 O O . SER A 46 ? 0.4164 0.4936 0.3329 0.0221 0.0162 -0.0582 61 SER B O 331 C CB . SER A 46 ? 0.4321 0.5207 0.3494 0.0359 0.0172 -0.0695 61 SER B CB 332 O OG . SER A 46 ? 0.4488 0.5301 0.3639 0.0322 0.0186 -0.0704 61 SER B OG 333 N N . TRP A 47 ? 0.4182 0.4858 0.3299 0.0215 0.0168 -0.0551 62 TRP B N 334 C CA . TRP A 47 ? 0.4775 0.5347 0.3868 0.0132 0.0156 -0.0522 62 TRP B CA 335 C C . TRP A 47 ? 0.4606 0.5192 0.3727 0.0109 0.0140 -0.0435 62 TRP B C 336 O O . TRP A 47 ? 0.4353 0.4920 0.3482 0.0058 0.0132 -0.0427 62 TRP B O 337 C CB . TRP A 47 ? 0.5140 0.5593 0.4173 0.0113 0.0149 -0.0516 62 TRP B CB 338 C CG . TRP A 47 ? 0.5789 0.6123 0.4790 0.0041 0.0117 -0.0458 62 TRP B CG 339 C CD1 . TRP A 47 ? 0.5851 0.6159 0.4869 0.0024 0.0089 -0.0370 62 TRP B CD1 340 C CD2 . TRP A 47 ? 0.6058 0.6283 0.5005 -0.0019 0.0105 -0.0481 62 TRP B CD2 341 N NE1 . TRP A 47 ? 0.6327 0.6514 0.5311 -0.0050 0.0051 -0.0341 62 TRP B NE1 342 C CE2 . TRP A 47 ? 0.6571 0.6701 0.5501 -0.0074 0.0060 -0.0412 62 TRP B CE2 343 C CE3 . TRP A 47 ? 0.6455 0.6659 0.5370 -0.0031 0.0127 -0.0549 62 TRP B CE3 344 C CZ2 . TRP A 47 ? 0.6947 0.6949 0.5813 -0.0136 0.0031 -0.0418 62 TRP B CZ2 345 C CZ3 . TRP A 47 ? 0.7267 0.7353 0.6118 -0.0086 0.0109 -0.0549 62 TRP B CZ3 346 C CH2 . TRP A 47 ? 0.7307 0.7287 0.6124 -0.0136 0.0058 -0.0488 62 TRP B CH2 347 N N . GLU A 48 ? 0.4472 0.5103 0.3614 0.0150 0.0138 -0.0364 63 GLU B N 348 C CA . GLU A 48 ? 0.4467 0.5132 0.3651 0.0135 0.0127 -0.0263 63 GLU B CA 349 C C . GLU A 48 ? 0.4444 0.5206 0.3654 0.0166 0.0140 -0.0265 63 GLU B C 350 O O . GLU A 48 ? 0.4399 0.5174 0.3638 0.0133 0.0132 -0.0198 63 GLU B O 351 C CB . GLU A 48 ? 0.4762 0.5468 0.3971 0.0183 0.0130 -0.0180 63 GLU B CB 352 C CG . GLU A 48 ? 0.5035 0.5616 0.4216 0.0140 0.0106 -0.0162 63 GLU B CG 353 C CD . GLU A 48 ? 0.5383 0.5993 0.4599 0.0178 0.0106 -0.0068 63 GLU B CD 354 O OE1 . GLU A 48 ? 0.5757 0.6496 0.5007 0.0257 0.0135 -0.0031 63 GLU B OE1 355 O OE2 . GLU A 48 ? 0.5738 0.6235 0.4944 0.0130 0.0073 -0.0027 63 GLU B OE2 356 N N . ALA A 49 ? 0.3946 0.4768 0.3143 0.0229 0.0154 -0.0344 64 ALA B N 357 C CA . ALA A 49 ? 0.4096 0.4981 0.3297 0.0263 0.0158 -0.0370 64 ALA B CA 358 C C . ALA A 49 ? 0.3763 0.4591 0.2966 0.0185 0.0148 -0.0389 64 ALA B C 359 O O . ALA A 49 ? 0.3864 0.4731 0.3072 0.0203 0.0149 -0.0377 64 ALA B O 360 C CB . ALA A 49 ? 0.4007 0.4937 0.3192 0.0330 0.0157 -0.0466 64 ALA B CB 361 N N . HIS A 50 ? 0.3738 0.4472 0.2928 0.0109 0.0142 -0.0419 65 HIS B N 362 C CA . HIS A 50 ? 0.3966 0.4640 0.3150 0.0038 0.0137 -0.0443 65 HIS B CA 363 C C . HIS A 50 ? 0.3884 0.4500 0.3067 -0.0029 0.0119 -0.0365 65 HIS B C 364 O O . HIS A 50 ? 0.4193 0.4763 0.3366 -0.0082 0.0114 -0.0377 65 HIS B O 365 C CB . HIS A 50 ? 0.3918 0.4527 0.3079 0.0004 0.0143 -0.0522 65 HIS B CB 366 C CG . HIS A 50 ? 0.4514 0.5183 0.3696 0.0051 0.0152 -0.0600 65 HIS B CG 367 N ND1 . HIS A 50 ? 0.4681 0.5403 0.3867 0.0117 0.0155 -0.0620 65 HIS B ND1 368 C CD2 . HIS A 50 ? 0.4648 0.5330 0.3853 0.0040 0.0152 -0.0659 65 HIS B CD2 369 C CE1 . HIS A 50 ? 0.4698 0.5466 0.3911 0.0143 0.0152 -0.0691 65 HIS B CE1 370 N NE2 . HIS A 50 ? 0.4766 0.5509 0.3996 0.0094 0.0148 -0.0714 65 HIS B NE2 371 N N . LEU A 51 ? 0.4125 0.4740 0.3323 -0.0030 0.0106 -0.0285 66 LEU B N 372 C CA . LEU A 51 ? 0.4222 0.4774 0.3430 -0.0103 0.0075 -0.0208 66 LEU B CA 373 C C . LEU A 51 ? 0.4365 0.4990 0.3615 -0.0104 0.0077 -0.0148 66 LEU B C 374 O O . LEU A 51 ? 0.4595 0.5324 0.3866 -0.0032 0.0102 -0.0142 66 LEU B O 375 C CB . LEU A 51 ? 0.4476 0.5009 0.3706 -0.0106 0.0054 -0.0131 66 LEU B CB 376 C CG . LEU A 51 ? 0.4985 0.5422 0.4162 -0.0107 0.0045 -0.0176 66 LEU B CG 377 C CD1 . LEU A 51 ? 0.5233 0.5666 0.4444 -0.0099 0.0025 -0.0088 66 LEU B CD1 378 C CD2 . LEU A 51 ? 0.5265 0.5552 0.4371 -0.0177 0.0017 -0.0222 66 LEU B CD2 379 N N . ASP A 52 ? 0.4462 0.5031 0.3718 -0.0178 0.0048 -0.0105 67 ASP B N 380 C CA . ASP A 52 ? 0.4548 0.5182 0.3840 -0.0182 0.0051 -0.0052 67 ASP B CA 381 C C . ASP A 52 ? 0.4416 0.5188 0.3769 -0.0111 0.0070 0.0037 67 ASP B C 382 O O . ASP A 52 ? 0.4545 0.5395 0.3897 -0.0052 0.0097 0.0033 67 ASP B O 383 C CB . ASP A 52 ? 0.4661 0.5222 0.3959 -0.0273 0.0008 -0.0001 67 ASP B CB 384 C CG . ASP A 52 ? 0.5337 0.5857 0.4672 -0.0321 -0.0038 0.0084 67 ASP B CG 385 O OD1 . ASP A 52 ? 0.5293 0.5792 0.4625 -0.0301 -0.0040 0.0081 67 ASP B OD1 386 O OD2 . ASP A 52 ? 0.6108 0.6613 0.5481 -0.0382 -0.0078 0.0157 67 ASP B OD2 387 N N . VAL A 53 ? 0.4477 0.5273 0.3879 -0.0113 0.0057 0.0123 68 VAL B N 388 C CA . VAL A 53 ? 0.4309 0.5243 0.3767 -0.0031 0.0084 0.0213 68 VAL B CA 389 C C . VAL A 53 ? 0.4034 0.4951 0.3476 0.0004 0.0091 0.0187 68 VAL B C 390 O O . VAL A 53 ? 0.3990 0.4832 0.3449 -0.0051 0.0059 0.0220 68 VAL B O 391 C CB . VAL A 53 ? 0.4189 0.5182 0.3745 -0.0072 0.0062 0.0366 68 VAL B CB 392 C CG1 . VAL A 53 ? 0.4170 0.5314 0.3786 0.0022 0.0100 0.0469 68 VAL B CG1 393 C CG2 . VAL A 53 ? 0.4478 0.5491 0.4051 -0.0108 0.0053 0.0395 68 VAL B CG2 394 N N . SER A 54 ? 0.4201 0.5175 0.3602 0.0099 0.0126 0.0124 69 SER B N 395 C CA . SER A 54 ? 0.4137 0.5089 0.3512 0.0135 0.0132 0.0079 69 SER B CA 396 C C . SER A 54 ? 0.4423 0.5424 0.3861 0.0150 0.0132 0.0204 69 SER B C 397 O O . SER A 54 ? 0.4263 0.5387 0.3751 0.0210 0.0155 0.0303 69 SER B O 398 C CB . SER A 54 ? 0.4122 0.5137 0.3448 0.0238 0.0162 -0.0003 69 SER B CB 399 O OG . SER A 54 ? 0.4344 0.5346 0.3648 0.0276 0.0167 -0.0040 69 SER B OG 400 N N . PRO A 55 ? 0.4532 0.5438 0.3967 0.0103 0.0106 0.0203 70 PRO B N 401 C CA . PRO A 55 ? 0.4747 0.5695 0.4249 0.0119 0.0104 0.0324 70 PRO B CA 402 C C . PRO A 55 ? 0.4491 0.5549 0.3982 0.0242 0.0151 0.0333 70 PRO B C 403 O O . PRO A 55 ? 0.4697 0.5806 0.4246 0.0269 0.0159 0.0442 70 PRO B O 404 C CB . PRO A 55 ? 0.4804 0.5588 0.4281 0.0036 0.0057 0.0301 70 PRO B CB 405 C CG . PRO A 55 ? 0.4911 0.5596 0.4289 0.0022 0.0056 0.0149 70 PRO B CG 406 C CD . PRO A 55 ? 0.4924 0.5683 0.4290 0.0046 0.0082 0.0098 70 PRO B CD 407 N N . LEU A 56 ? 0.4393 0.5483 0.3814 0.0317 0.0177 0.0222 71 LEU B N 408 C CA . LEU A 56 ? 0.4404 0.5598 0.3799 0.0444 0.0214 0.0220 71 LEU B CA 409 C C . LEU A 56 ? 0.4662 0.6003 0.4102 0.0525 0.0248 0.0345 71 LEU B C 410 O O . LEU A 56 ? 0.4112 0.5538 0.3559 0.0617 0.0277 0.0408 71 LEU B O 411 C CB . LEU A 56 ? 0.4364 0.5557 0.3679 0.0499 0.0220 0.0075 71 LEU B CB 412 C CG . LEU A 56 ? 0.4474 0.5551 0.3748 0.0440 0.0198 -0.0044 71 LEU B CG 413 C CD1 . LEU A 56 ? 0.4640 0.5731 0.3863 0.0482 0.0198 -0.0169 71 LEU B CD1 414 C CD2 . LEU A 56 ? 0.4742 0.5790 0.4007 0.0461 0.0201 -0.0037 71 LEU B CD2 415 N N . TYR A 57 ? 0.4439 0.5813 0.3903 0.0501 0.0247 0.0377 72 TYR B N 416 C CA . TYR A 57 ? 0.4547 0.6066 0.4052 0.0582 0.0282 0.0501 72 TYR B CA 417 C C . TYR A 57 ? 0.4508 0.6053 0.4119 0.0495 0.0268 0.0631 72 TYR B C 418 O O . TYR A 57 ? 0.4063 0.5744 0.3739 0.0554 0.0300 0.0771 72 TYR B O 419 C CB . TYR A 57 ? 0.4733 0.6295 0.4150 0.0677 0.0301 0.0420 72 TYR B CB 420 C CG . TYR A 57 ? 0.4909 0.6415 0.4227 0.0727 0.0291 0.0263 72 TYR B CG 421 C CD1 . TYR A 57 ? 0.5061 0.6610 0.4344 0.0823 0.0309 0.0255 72 TYR B CD1 422 C CD2 . TYR A 57 ? 0.5138 0.6550 0.4407 0.0676 0.0263 0.0128 72 TYR B CD2 423 C CE1 . TYR A 57 ? 0.5143 0.6647 0.4346 0.0866 0.0292 0.0114 72 TYR B CE1 424 C CE2 . TYR A 57 ? 0.5112 0.6484 0.4312 0.0715 0.0248 -0.0004 72 TYR B CE2 425 C CZ . TYR A 57 ? 0.5180 0.6598 0.4348 0.0808 0.0260 -0.0014 72 TYR B CZ 426 O OH . TYR A 57 ? 0.4854 0.6238 0.3964 0.0843 0.0238 -0.0145 72 TYR B OH 427 N N . ASN A 58 ? 0.4343 0.5766 0.3970 0.0362 0.0221 0.0590 73 ASN B N 428 C CA . ASN A 58 ? 0.4778 0.6211 0.4493 0.0272 0.0194 0.0690 73 ASN B CA 429 C C . ASN A 58 ? 0.4863 0.6418 0.4584 0.0340 0.0228 0.0738 73 ASN B C 430 O O . ASN A 58 ? 0.5212 0.6865 0.5034 0.0327 0.0232 0.0883 73 ASN B O 431 C CB . ASN A 58 ? 0.4864 0.6322 0.4704 0.0216 0.0172 0.0844 73 ASN B CB 432 C CG . ASN A 58 ? 0.4960 0.6249 0.4781 0.0122 0.0120 0.0788 73 ASN B CG 433 O OD1 . ASN A 58 ? 0.4875 0.6025 0.4621 0.0056 0.0086 0.0664 73 ASN B OD1 434 N ND2 . ASN A 58 ? 0.4960 0.6261 0.4846 0.0122 0.0114 0.0880 73 ASN B ND2 435 N N . PHE A 59 ? 0.4665 0.6209 0.4277 0.0415 0.0249 0.0616 74 PHE B N 436 C CA . PHE A 59 ? 0.5040 0.6652 0.4625 0.0474 0.0272 0.0627 74 PHE B CA 437 C C . PHE A 59 ? 0.4856 0.6347 0.4402 0.0379 0.0236 0.0521 74 PHE B C 438 O O . PHE A 59 ? 0.4625 0.6009 0.4093 0.0361 0.0221 0.0377 74 PHE B O 439 C CB . PHE A 59 ? 0.5306 0.6976 0.4789 0.0629 0.0310 0.0566 74 PHE B CB 440 C CG . PHE A 59 ? 0.5708 0.7434 0.5141 0.0708 0.0331 0.0572 74 PHE B CG 441 C CD1 . PHE A 59 ? 0.5861 0.7738 0.5345 0.0788 0.0372 0.0728 74 PHE B CD1 442 C CD2 . PHE A 59 ? 0.5809 0.7437 0.5149 0.0704 0.0311 0.0431 74 PHE B CD2 443 C CE1 . PHE A 59 ? 0.6020 0.7943 0.5446 0.0872 0.0394 0.0735 74 PHE B CE1 444 C CE2 . PHE A 59 ? 0.6114 0.7776 0.5399 0.0779 0.0326 0.0435 74 PHE B CE2 445 C CZ . PHE A 59 ? 0.6018 0.7825 0.5337 0.0869 0.0369 0.0584 74 PHE B CZ 446 N N . SER A 60 ? 0.4352 0.5866 0.3958 0.0319 0.0224 0.0599 75 SER B N 447 C CA . SER A 60 ? 0.4441 0.5850 0.4010 0.0236 0.0195 0.0514 75 SER B CA 448 C C . SER A 60 ? 0.4413 0.5843 0.3899 0.0323 0.0221 0.0451 75 SER B C 449 O O . SER A 60 ? 0.4656 0.6200 0.4151 0.0411 0.0253 0.0536 75 SER B O 450 C CB . SER A 60 ? 0.4467 0.5881 0.4127 0.0134 0.0163 0.0617 75 SER B CB 451 O OG . SER A 60 ? 0.4791 0.6109 0.4399 0.0073 0.0142 0.0533 75 SER B OG 452 N N . LEU A 61 ? 0.4486 0.5801 0.3893 0.0298 0.0206 0.0305 76 LEU B N 453 C CA . LEU A 61 ? 0.4699 0.5993 0.4030 0.0350 0.0214 0.0234 76 LEU B CA 454 C C . LEU A 61 ? 0.4322 0.5590 0.3676 0.0278 0.0202 0.0267 76 LEU B C 455 O O . LEU A 61 ? 0.4609 0.5875 0.3909 0.0330 0.0212 0.0237 76 LEU B O 456 C CB . LEU A 61 ? 0.4622 0.5805 0.3881 0.0338 0.0198 0.0075 76 LEU B CB 457 C CG . LEU A 61 ? 0.5047 0.6251 0.4277 0.0412 0.0204 0.0028 76 LEU B CG 458 C CD1 . LEU A 61 ? 0.5069 0.6165 0.4267 0.0359 0.0181 -0.0109 76 LEU B CD1 459 C CD2 . LEU A 61 ? 0.5134 0.6412 0.4297 0.0562 0.0225 0.0030 76 LEU B CD2 460 N N . PHE A 62 ? 0.3968 0.5204 0.3392 0.0162 0.0174 0.0320 77 PHE B N 461 C CA . PHE A 62 ? 0.4181 0.5388 0.3628 0.0085 0.0154 0.0352 77 PHE B CA 462 C C . PHE A 62 ? 0.4121 0.5463 0.3650 0.0110 0.0165 0.0512 77 PHE B C 463 O O . PHE A 62 ? 0.3916 0.5249 0.3492 0.0032 0.0139 0.0566 77 PHE B O 464 C CB . PHE A 62 ? 0.4369 0.5460 0.3835 -0.0047 0.0109 0.0326 77 PHE B CB 465 C CG . PHE A 62 ? 0.4561 0.5525 0.3950 -0.0077 0.0103 0.0181 77 PHE B CG 466 C CD1 . PHE A 62 ? 0.4402 0.5293 0.3733 -0.0093 0.0107 0.0096 77 PHE B CD1 467 C CD2 . PHE A 62 ? 0.4467 0.5389 0.3849 -0.0085 0.0097 0.0138 77 PHE B CD2 468 C CE1 . PHE A 62 ? 0.4514 0.5305 0.3792 -0.0120 0.0105 -0.0023 77 PHE B CE1 469 C CE2 . PHE A 62 ? 0.4725 0.5548 0.4046 -0.0107 0.0096 0.0014 77 PHE B CE2 470 C CZ . PHE A 62 ? 0.4568 0.5331 0.3844 -0.0126 0.0101 -0.0062 77 PHE B CZ 471 N N . HIS A 63 ? 0.4106 0.5579 0.3653 0.0223 0.0204 0.0590 78 HIS B N 472 C CA . HIS A 63 ? 0.4302 0.5933 0.3942 0.0262 0.0224 0.0759 78 HIS B CA 473 C C . HIS A 63 ? 0.4363 0.6015 0.3987 0.0272 0.0230 0.0784 78 HIS B C 474 O O . HIS A 63 ? 0.4270 0.6037 0.3993 0.0262 0.0232 0.0925 78 HIS B O 475 C CB . HIS A 63 ? 0.4147 0.5918 0.3786 0.0408 0.0276 0.0833 78 HIS B CB 476 C CG . HIS A 63 ? 0.4284 0.6019 0.3779 0.0534 0.0305 0.0716 78 HIS B CG 477 N ND1 . HIS A 63 ? 0.4496 0.6160 0.3922 0.0562 0.0301 0.0604 78 HIS B ND1 478 C CD2 . HIS A 63 ? 0.4309 0.6057 0.3713 0.0638 0.0330 0.0690 78 HIS B CD2 479 C CE1 . HIS A 63 ? 0.4395 0.6032 0.3700 0.0674 0.0316 0.0513 78 HIS B CE1 480 N NE2 . HIS A 63 ? 0.4666 0.6344 0.3948 0.0724 0.0332 0.0561 78 HIS B NE2 481 N N . CYS A 64 ? 0.4369 0.5917 0.3880 0.0291 0.0232 0.0655 79 CYS B N 482 C CA . CYS A 64 ? 0.4598 0.6143 0.4089 0.0290 0.0233 0.0671 79 CYS B CA 483 C C . CYS A 64 ? 0.4878 0.6271 0.4343 0.0163 0.0191 0.0576 79 CYS B C 484 O O . CYS A 64 ? 0.5177 0.6524 0.4586 0.0171 0.0195 0.0537 79 CYS B O 485 C CB . CYS A 64 ? 0.4769 0.6324 0.4145 0.0435 0.0272 0.0622 79 CYS B CB 486 S SG . CYS A 64 ? 0.4927 0.6686 0.4322 0.0606 0.0330 0.0777 79 CYS B SG 487 N N . GLY A 65 ? 0.4424 0.5736 0.3920 0.0055 0.0154 0.0540 80 GLY B N 488 C CA . GLY A 65 ? 0.4521 0.5693 0.3986 -0.0055 0.0117 0.0459 80 GLY B CA 489 C C . GLY A 65 ? 0.4470 0.5519 0.3831 -0.0047 0.0127 0.0308 80 GLY B C 490 O O . GLY A 65 ? 0.4420 0.5358 0.3756 -0.0121 0.0106 0.0225 80 GLY B O 491 N N . LEU A 66 ? 0.4597 0.5660 0.3899 0.0043 0.0156 0.0276 81 LEU B N 492 C CA . LEU A 66 ? 0.4501 0.5449 0.3718 0.0049 0.0159 0.0144 81 LEU B CA 493 C C . LEU A 66 ? 0.4638 0.5572 0.3812 0.0120 0.0168 0.0060 81 LEU B C 494 O O . LEU A 66 ? 0.4570 0.5546 0.3698 0.0232 0.0184 0.0056 81 LEU B O 495 C CB . LEU A 66 ? 0.4645 0.5589 0.3814 0.0102 0.0172 0.0150 81 LEU B CB 496 C CG . LEU A 66 ? 0.5043 0.5967 0.4232 0.0029 0.0161 0.0200 81 LEU B CG 497 C CD1 . LEU A 66 ? 0.5035 0.5978 0.4175 0.0111 0.0181 0.0223 81 LEU B CD1 498 C CD2 . LEU A 66 ? 0.5229 0.6019 0.4394 -0.0073 0.0142 0.0112 81 LEU B CD2 499 N N . LEU A 67 ? 0.4569 0.5440 0.3750 0.0062 0.0154 -0.0011 82 LEU B N 500 C CA . LEU A 67 ? 0.4545 0.5396 0.3689 0.0118 0.0155 -0.0101 82 LEU B CA 501 C C . LEU A 67 ? 0.4344 0.5083 0.3475 0.0041 0.0142 -0.0205 82 LEU B C 502 O O . LEU A 67 ? 0.4520 0.5220 0.3679 -0.0043 0.0134 -0.0205 82 LEU B O 503 C CB . LEU A 67 ? 0.4816 0.5734 0.4000 0.0135 0.0159 -0.0060 82 LEU B CB 504 C CG . LEU A 67 ? 0.4996 0.5904 0.4148 0.0192 0.0157 -0.0146 82 LEU B CG 505 C CD1 . LEU A 67 ? 0.5312 0.6274 0.4407 0.0327 0.0168 -0.0149 82 LEU B CD1 506 C CD2 . LEU A 67 ? 0.5463 0.6406 0.4660 0.0169 0.0158 -0.0110 82 LEU B CD2 507 N N . MET A 68 ? 0.4325 0.5008 0.3414 0.0074 0.0136 -0.0289 83 MET B N 508 C CA . MET A 68 ? 0.4545 0.5131 0.3638 -0.0001 0.0127 -0.0372 83 MET B CA 509 C C . MET A 68 ? 0.4432 0.5008 0.3547 -0.0018 0.0121 -0.0438 83 MET B C 510 O O . MET A 68 ? 0.4459 0.5083 0.3568 0.0049 0.0116 -0.0454 83 MET B O 511 C CB . MET A 68 ? 0.4687 0.5211 0.3742 0.0031 0.0115 -0.0432 83 MET B CB 512 C CG . MET A 68 ? 0.4909 0.5426 0.3931 0.0050 0.0122 -0.0378 83 MET B CG 513 S SD . MET A 68 ? 0.5015 0.5503 0.4068 -0.0062 0.0134 -0.0323 83 MET B SD 514 C CE . MET A 68 ? 0.5274 0.5879 0.4358 -0.0043 0.0142 -0.0202 83 MET B CE 515 N N . PRO A 69 ? 0.4314 0.4830 0.3451 -0.0101 0.0123 -0.0476 84 PRO B N 516 C CA . PRO A 69 ? 0.4308 0.4821 0.3470 -0.0114 0.0122 -0.0535 84 PRO B CA 517 C C . PRO A 69 ? 0.4398 0.4927 0.3563 -0.0051 0.0102 -0.0606 84 PRO B C 518 O O . PRO A 69 ? 0.4274 0.4846 0.3447 -0.0015 0.0099 -0.0623 84 PRO B O 519 C CB . PRO A 69 ? 0.4360 0.4805 0.3536 -0.0197 0.0132 -0.0562 84 PRO B CB 520 C CG . PRO A 69 ? 0.4269 0.4687 0.3421 -0.0239 0.0139 -0.0497 84 PRO B CG 521 C CD . PRO A 69 ? 0.4209 0.4668 0.3344 -0.0181 0.0132 -0.0452 84 PRO B CD 522 N N . GLY A 70 ? 0.4273 0.4760 0.3428 -0.0036 0.0084 -0.0647 85 GLY B N 523 C CA . GLY A 70 ? 0.4459 0.4942 0.3608 0.0024 0.0049 -0.0717 85 GLY B CA 524 C C . GLY A 70 ? 0.4786 0.5328 0.3882 0.0134 0.0040 -0.0701 85 GLY B C 525 O O . GLY A 70 ? 0.4882 0.5444 0.3975 0.0185 0.0015 -0.0753 85 GLY B O 526 N N . CYS A 71 ? 0.4579 0.5158 0.3638 0.0173 0.0061 -0.0622 86 CYS B N 527 C CA . CYS A 71 ? 0.4809 0.5464 0.3823 0.0281 0.0066 -0.0582 86 CYS B CA 528 C C . CYS A 71 ? 0.4840 0.5564 0.3891 0.0274 0.0084 -0.0550 86 CYS B C 529 O O . CYS A 71 ? 0.5018 0.5781 0.4050 0.0347 0.0074 -0.0578 86 CYS B O 530 C CB . CYS A 71 ? 0.4700 0.5389 0.3681 0.0321 0.0089 -0.0491 86 CYS B CB 531 S SG . CYS A 71 ? 0.5073 0.5872 0.4001 0.0469 0.0107 -0.0418 86 CYS B SG 532 N N . ARG A 72 ? 0.4519 0.5246 0.3616 0.0188 0.0105 -0.0497 87 ARG B N 533 C CA . ARG A 72 ? 0.4444 0.5217 0.3570 0.0181 0.0116 -0.0466 87 ARG B CA 534 C C . ARG A 72 ? 0.4374 0.5134 0.3510 0.0186 0.0103 -0.0553 87 ARG B C 535 O O . ARG A 72 ? 0.4052 0.4864 0.3185 0.0238 0.0106 -0.0544 87 ARG B O 536 C CB . ARG A 72 ? 0.4660 0.5408 0.3821 0.0085 0.0127 -0.0411 87 ARG B CB 537 C CG . ARG A 72 ? 0.5116 0.5905 0.4299 0.0090 0.0133 -0.0367 87 ARG B CG 538 C CD . ARG A 72 ? 0.5221 0.5991 0.4431 0.0015 0.0132 -0.0286 87 ARG B CD 539 N NE . ARG A 72 ? 0.5279 0.5955 0.4481 -0.0071 0.0124 -0.0333 87 ARG B NE 540 C CZ . ARG A 72 ? 0.5232 0.5859 0.4431 -0.0114 0.0118 -0.0340 87 ARG B CZ 541 N NH1 . ARG A 72 ? 0.5858 0.6514 0.5070 -0.0089 0.0115 -0.0301 87 ARG B NH1 542 N NH2 . ARG A 72 ? 0.5130 0.5671 0.4305 -0.0177 0.0116 -0.0384 87 ARG B NH2 543 N N . LYS A 73 ? 0.4364 0.5063 0.3517 0.0135 0.0088 -0.0629 88 LYS B N 544 C CA . LYS A 73 ? 0.4596 0.5299 0.3775 0.0141 0.0071 -0.0706 88 LYS B CA 545 C C . LYS A 73 ? 0.4464 0.5214 0.3607 0.0251 0.0046 -0.0738 88 LYS B C 546 O O . LYS A 73 ? 0.4306 0.5095 0.3461 0.0278 0.0044 -0.0760 88 LYS B O 547 C CB . LYS A 73 ? 0.5174 0.5817 0.4390 0.0080 0.0055 -0.0770 88 LYS B CB 548 C CG . LYS A 73 ? 0.5594 0.6252 0.4858 0.0078 0.0034 -0.0842 88 LYS B CG 549 C CD . LYS A 73 ? 0.6153 0.6773 0.5482 -0.0012 0.0044 -0.0866 88 LYS B CD 550 C CE . LYS A 73 ? 0.6557 0.7173 0.5947 -0.0017 0.0002 -0.0938 88 LYS B CE 551 N NZ . LYS A 73 ? 0.6659 0.7299 0.6130 -0.0078 0.0024 -0.0949 88 LYS B NZ 552 N N . HIS A 74 ? 0.4342 0.5085 0.3431 0.0322 0.0028 -0.0742 89 HIS B N 553 C CA . HIS A 74 ? 0.4667 0.5442 0.3696 0.0442 0.0000 -0.0775 89 HIS B CA 554 C C . HIS A 74 ? 0.4773 0.5635 0.3784 0.0508 0.0032 -0.0702 89 HIS B C 555 O O . HIS A 74 ? 0.5039 0.5940 0.4031 0.0576 0.0019 -0.0733 89 HIS B O 556 C CB . HIS A 74 ? 0.4967 0.5703 0.3919 0.0516 -0.0024 -0.0787 89 HIS B CB 557 C CG . HIS A 74 ? 0.5463 0.6103 0.4424 0.0477 -0.0075 -0.0875 89 HIS B CG 558 N ND1 . HIS A 74 ? 0.5921 0.6530 0.4876 0.0511 -0.0136 -0.0968 89 HIS B ND1 559 C CD2 . HIS A 74 ? 0.5575 0.6142 0.4556 0.0406 -0.0079 -0.0879 89 HIS B CD2 560 C CE1 . HIS A 74 ? 0.5941 0.6461 0.4921 0.0457 -0.0178 -0.1023 89 HIS B CE1 561 N NE2 . HIS A 74 ? 0.5881 0.6374 0.4875 0.0394 -0.0140 -0.0970 89 HIS B NE2 562 N N . PHE A 75 ? 0.4689 0.5584 0.3713 0.0485 0.0072 -0.0602 90 PHE B N 563 C CA . PHE A 75 ? 0.4500 0.5480 0.3528 0.0534 0.0103 -0.0514 90 PHE B CA 564 C C . PHE A 75 ? 0.4393 0.5382 0.3467 0.0488 0.0110 -0.0524 90 PHE B C 565 O O . PHE A 75 ? 0.4236 0.5285 0.3297 0.0560 0.0119 -0.0501 90 PHE B O 566 C CB . PHE A 75 ? 0.4421 0.5434 0.3473 0.0505 0.0135 -0.0397 90 PHE B CB 567 C CG . PHE A 75 ? 0.4404 0.5450 0.3400 0.0598 0.0141 -0.0358 90 PHE B CG 568 C CD1 . PHE A 75 ? 0.4524 0.5657 0.3471 0.0731 0.0159 -0.0307 90 PHE B CD1 569 C CD2 . PHE A 75 ? 0.4358 0.5348 0.3339 0.0564 0.0133 -0.0371 90 PHE B CD2 570 C CE1 . PHE A 75 ? 0.4638 0.5802 0.3518 0.0835 0.0169 -0.0269 90 PHE B CE1 571 C CE2 . PHE A 75 ? 0.4523 0.5538 0.3439 0.0662 0.0140 -0.0336 90 PHE B CE2 572 C CZ . PHE A 75 ? 0.4831 0.5933 0.3693 0.0801 0.0158 -0.0287 90 PHE B CZ 573 N N . ILE A 76 ? 0.4004 0.4931 0.3123 0.0379 0.0107 -0.0557 91 ILE B N 574 C CA . ILE A 76 ? 0.4166 0.5089 0.3315 0.0343 0.0112 -0.0575 91 ILE B CA 575 C C . ILE A 76 ? 0.4266 0.5214 0.3402 0.0410 0.0089 -0.0659 91 ILE B C 576 O O . ILE A 76 ? 0.4530 0.5522 0.3663 0.0457 0.0096 -0.0651 91 ILE B O 577 C CB . ILE A 76 ? 0.3939 0.4788 0.3122 0.0230 0.0116 -0.0601 91 ILE B CB 578 C CG1 . ILE A 76 ? 0.3961 0.4779 0.3150 0.0165 0.0129 -0.0519 91 ILE B CG1 579 C CG2 . ILE A 76 ? 0.3905 0.4750 0.3104 0.0215 0.0123 -0.0622 91 ILE B CG2 580 C CD1 . ILE A 76 ? 0.3954 0.4688 0.3153 0.0065 0.0131 -0.0543 91 ILE B CD1 581 N N . GLN A 77 ? 0.4455 0.5373 0.3588 0.0412 0.0056 -0.0738 92 GLN B N 582 C CA . GLN A 77 ? 0.4544 0.5482 0.3668 0.0474 0.0018 -0.0820 92 GLN B CA 583 C C . GLN A 77 ? 0.4920 0.5921 0.3976 0.0606 0.0015 -0.0799 92 GLN B C 584 O O . GLN A 77 ? 0.5177 0.6218 0.4231 0.0655 0.0003 -0.0831 92 GLN B O 585 C CB . GLN A 77 ? 0.4597 0.5480 0.3727 0.0457 -0.0027 -0.0896 92 GLN B CB 586 C CG . GLN A 77 ? 0.4661 0.5499 0.3870 0.0338 -0.0022 -0.0922 92 GLN B CG 587 C CD . GLN A 77 ? 0.4807 0.5592 0.4041 0.0313 -0.0071 -0.0991 92 GLN B CD 588 O OE1 . GLN A 77 ? 0.4919 0.5675 0.4095 0.0377 -0.0110 -0.1016 92 GLN B OE1 589 N NE2 . GLN A 77 ? 0.4905 0.5673 0.4224 0.0224 -0.0072 -0.1018 92 GLN B NE2 590 N N . ALA A 78 ? 0.4497 0.5514 0.3498 0.0667 0.0029 -0.0739 93 ALA B N 591 C CA . ALA A 78 ? 0.4585 0.5672 0.3517 0.0801 0.0039 -0.0696 93 ALA B CA 592 C C . ALA A 78 ? 0.4580 0.5733 0.3541 0.0811 0.0078 -0.0625 93 ALA B C 593 O O . ALA A 78 ? 0.4734 0.5940 0.3653 0.0912 0.0075 -0.0631 93 ALA B O 594 C CB . ALA A 78 ? 0.4580 0.5683 0.3459 0.0861 0.0059 -0.0625 93 ALA B CB 595 N N . ILE A 79 ? 0.4364 0.5505 0.3389 0.0712 0.0109 -0.0559 94 ILE B N 596 C CA . ILE A 79 ? 0.4309 0.5486 0.3364 0.0706 0.0137 -0.0496 94 ILE B CA 597 C C . ILE A 79 ? 0.4585 0.5754 0.3647 0.0709 0.0119 -0.0579 94 ILE B C 598 O O . ILE A 79 ? 0.4535 0.5756 0.3581 0.0780 0.0130 -0.0557 94 ILE B O 599 C CB . ILE A 79 ? 0.4352 0.5487 0.3466 0.0588 0.0157 -0.0427 94 ILE B CB 600 C CG1 . ILE A 79 ? 0.4420 0.5584 0.3543 0.0589 0.0174 -0.0327 94 ILE B CG1 601 C CG2 . ILE A 79 ? 0.4514 0.5659 0.3655 0.0577 0.0174 -0.0373 94 ILE B CG2 602 C CD1 . ILE A 79 ? 0.4356 0.5471 0.3534 0.0471 0.0179 -0.0260 94 ILE B CD1 603 N N . CYS A 80 ? 0.4395 0.5507 0.3487 0.0633 0.0095 -0.0664 95 CYS B N 604 C CA . CYS A 80 ? 0.4500 0.5617 0.3614 0.0630 0.0079 -0.0738 95 CYS B CA 605 C C . CYS A 80 ? 0.4554 0.5727 0.3623 0.0749 0.0048 -0.0788 95 CYS B C 606 O O . CYS A 80 ? 0.4502 0.5717 0.3565 0.0799 0.0052 -0.0792 95 CYS B O 607 C CB . CYS A 80 ? 0.4407 0.5471 0.3571 0.0539 0.0058 -0.0813 95 CYS B CB 608 S SG . CYS A 80 ? 0.4436 0.5427 0.3639 0.0409 0.0092 -0.0771 95 CYS B SG 609 N N . PHE A 81 ? 0.4530 0.5693 0.3554 0.0799 0.0013 -0.0826 96 PHE B N 610 C CA . PHE A 81 ? 0.4685 0.5882 0.3640 0.0924 -0.0025 -0.0876 96 PHE B CA 611 C C . PHE A 81 ? 0.4930 0.6202 0.3828 0.1037 0.0009 -0.0801 96 PHE B C 612 O O . PHE A 81 ? 0.4687 0.6001 0.3564 0.1106 -0.0004 -0.0831 96 PHE B O 613 C CB . PHE A 81 ? 0.5352 0.6504 0.4249 0.0962 -0.0065 -0.0914 96 PHE B CB 614 C CG . PHE A 81 ? 0.5326 0.6487 0.4130 0.1096 -0.0121 -0.0980 96 PHE B CG 615 C CD1 . PHE A 81 ? 0.5531 0.6699 0.4352 0.1111 -0.0177 -0.1069 96 PHE B CD1 616 C CD2 . PHE A 81 ? 0.5818 0.6978 0.4511 0.1212 -0.0122 -0.0952 96 PHE B CD2 617 C CE1 . PHE A 81 ? 0.5907 0.7071 0.4632 0.1237 -0.0241 -0.1135 96 PHE B CE1 618 C CE2 . PHE A 81 ? 0.5899 0.7051 0.4481 0.1350 -0.0180 -0.1019 96 PHE B CE2 619 C CZ . PHE A 81 ? 0.5870 0.7018 0.4465 0.1360 -0.0244 -0.1113 96 PHE B CZ 620 N N . TYR A 82 ? 0.4714 0.6008 0.3593 0.1057 0.0054 -0.0697 97 TYR B N 621 C CA . TYR A 82 ? 0.4869 0.6244 0.3713 0.1157 0.0097 -0.0600 97 TYR B CA 622 C C . TYR A 82 ? 0.4702 0.6102 0.3594 0.1130 0.0121 -0.0571 97 TYR B C 623 O O . TYR A 82 ? 0.4359 0.5819 0.3211 0.1234 0.0131 -0.0552 97 TYR B O 624 C CB . TYR A 82 ? 0.5107 0.6508 0.3968 0.1144 0.0145 -0.0475 97 TYR B CB 625 C CG . TYR A 82 ? 0.5394 0.6894 0.4220 0.1266 0.0189 -0.0363 97 TYR B CG 626 C CD1 . TYR A 82 ? 0.5612 0.7154 0.4502 0.1238 0.0230 -0.0259 97 TYR B CD1 627 C CD2 . TYR A 82 ? 0.5800 0.7347 0.4525 0.1415 0.0189 -0.0355 97 TYR B CD2 628 C CE1 . TYR A 82 ? 0.5616 0.7258 0.4487 0.1349 0.0274 -0.0143 97 TYR B CE1 629 C CE2 . TYR A 82 ? 0.6072 0.7721 0.4764 0.1537 0.0237 -0.0241 97 TYR B CE2 630 C CZ . TYR A 82 ? 0.6296 0.7999 0.5070 0.1501 0.0282 -0.0131 97 TYR B CZ 631 O OH . TYR A 82 ? 0.7164 0.8977 0.5917 0.1624 0.0333 -0.0006 97 TYR B OH 632 N N . GLU A 83 ? 0.4278 0.5625 0.3247 0.0998 0.0132 -0.0563 98 GLU B N 633 C CA . GLU A 83 ? 0.4467 0.5813 0.3474 0.0965 0.0156 -0.0528 98 GLU B CA 634 C C . GLU A 83 ? 0.4401 0.5742 0.3414 0.0968 0.0130 -0.0627 98 GLU B C 635 O O . GLU A 83 ? 0.4661 0.6021 0.3677 0.0994 0.0147 -0.0603 98 GLU B O 636 C CB . GLU A 83 ? 0.4540 0.5818 0.3607 0.0833 0.0174 -0.0475 98 GLU B CB 637 C CG . GLU A 83 ? 0.4567 0.5861 0.3652 0.0820 0.0200 -0.0354 98 GLU B CG 638 C CD . GLU A 83 ? 0.4955 0.6320 0.4044 0.0893 0.0233 -0.0238 98 GLU B CD 639 O OE1 . GLU A 83 ? 0.5294 0.6664 0.4381 0.0920 0.0239 -0.0237 98 GLU B OE1 640 O OE2 . GLU A 83 ? 0.4901 0.6323 0.4001 0.0926 0.0254 -0.0137 98 GLU B OE2 641 N N . CYS A 84 ? 0.4423 0.5740 0.3445 0.0941 0.0087 -0.0729 99 CYS B N 642 C CA . CYS A 84 ? 0.4528 0.5849 0.3582 0.0925 0.0061 -0.0815 99 CYS B CA 643 C C . CYS A 84 ? 0.4675 0.6046 0.3695 0.1023 0.0009 -0.0897 99 CYS B C 644 O O . CYS A 84 ? 0.4451 0.5853 0.3498 0.1036 -0.0007 -0.0945 99 CYS B O 645 C CB . CYS A 84 ? 0.4372 0.5635 0.3493 0.0803 0.0050 -0.0865 99 CYS B CB 646 S SG . CYS A 84 ? 0.4636 0.5822 0.3783 0.0687 0.0098 -0.0787 99 CYS B SG 647 N N . SER A 85 ? 0.4584 0.5957 0.3543 0.1094 -0.0022 -0.0916 100 SER B N 648 C CA . SER A 85 ? 0.5017 0.6409 0.3936 0.1176 -0.0091 -0.1010 100 SER B CA 649 C C . SER A 85 ? 0.4978 0.6440 0.3846 0.1292 -0.0089 -0.1003 100 SER B C 650 O O . SER A 85 ? 0.4689 0.6186 0.3496 0.1373 -0.0044 -0.0920 100 SER B O 651 C CB . SER A 85 ? 0.5259 0.6621 0.4093 0.1246 -0.0127 -0.1028 100 SER B CB 652 O OG . SER A 85 ? 0.5912 0.7273 0.4698 0.1325 -0.0209 -0.1128 100 SER B OG 653 N N . PRO A 86 ? 0.5125 0.6616 0.4027 0.1302 -0.0137 -0.1082 101 PRO B N 654 C CA . PRO A 86 ? 0.5232 0.6789 0.4075 0.1425 -0.0148 -0.1090 101 PRO B CA 655 C C . PRO A 86 ? 0.5807 0.7366 0.4547 0.1551 -0.0223 -0.1158 101 PRO B C 656 O O . PRO A 86 ? 0.5640 0.7250 0.4325 0.1659 -0.0251 -0.1185 101 PRO B O 657 C CB . PRO A 86 ? 0.5269 0.6855 0.4207 0.1365 -0.0169 -0.1144 101 PRO B CB 658 C CG . PRO A 86 ? 0.5238 0.6779 0.4257 0.1259 -0.0219 -0.1212 101 PRO B CG 659 C CD . PRO A 86 ? 0.5074 0.6546 0.4076 0.1202 -0.0185 -0.1163 101 PRO B CD 660 N N . ASN A 87 ? 0.5666 0.7160 0.4367 0.1544 -0.0258 -0.1186 102 ASN B N 661 C CA . ASN A 87 ? 0.5833 0.7295 0.4430 0.1650 -0.0346 -0.1268 102 ASN B CA 662 C C . ASN A 87 ? 0.5920 0.7362 0.4378 0.1765 -0.0322 -0.1217 102 ASN B C 663 O O . ASN A 87 ? 0.6394 0.7770 0.4760 0.1829 -0.0392 -0.1284 102 ASN B O 664 C CB . ASN A 87 ? 0.5942 0.7330 0.4614 0.1545 -0.0428 -0.1362 102 ASN B CB 665 C CG . ASN A 87 ? 0.6167 0.7593 0.4989 0.1435 -0.0448 -0.1402 102 ASN B CG 666 O OD1 . ASN A 87 ? 0.5726 0.7121 0.4663 0.1299 -0.0446 -0.1410 102 ASN B OD1 667 N ND2 . ASN A 87 ? 0.5899 0.7399 0.4720 0.1501 -0.0462 -0.1419 102 ASN B ND2 668 N N . LEU A 88 ? 0.5810 0.7308 0.4250 0.1801 -0.0226 -0.1096 103 LEU B N 669 C CA . LEU A 88 ? 0.5750 0.7254 0.4072 0.1916 -0.0187 -0.1022 103 LEU B CA 670 C C . LEU A 88 ? 0.5774 0.7350 0.3969 0.2103 -0.0168 -0.0983 103 LEU B C 671 O O . LEU A 88 ? 0.5362 0.6957 0.3450 0.2222 -0.0135 -0.0918 103 LEU B O 672 C CB . LEU A 88 ? 0.5505 0.7029 0.3906 0.1825 -0.0093 -0.0896 103 LEU B CB 673 C CG . LEU A 88 ? 0.5696 0.7151 0.4213 0.1645 -0.0100 -0.0921 103 LEU B CG 674 C CD1 . LEU A 88 ? 0.5711 0.7183 0.4286 0.1574 -0.0019 -0.0796 103 LEU B CD1 675 C CD2 . LEU A 88 ? 0.5844 0.7211 0.4316 0.1641 -0.0177 -0.1019 103 LEU B CD2 676 N N . GLY A 89 ? 0.5987 0.7607 0.4191 0.2137 -0.0190 -0.1020 104 GLY B N 677 C CA . GLY A 89 ? 0.5982 0.7677 0.4074 0.2312 -0.0167 -0.0977 104 GLY B CA 678 C C . GLY A 89 ? 0.5904 0.7584 0.3809 0.2496 -0.0197 -0.0992 104 GLY B C 679 O O . GLY A 89 ? 0.5747 0.7495 0.3576 0.2618 -0.0123 -0.0880 104 GLY B O 680 N N . PRO A 90 ? 0.6226 0.7810 0.4056 0.2519 -0.0305 -0.1124 105 PRO B N 681 C CA . PRO A 90 ? 0.6695 0.8241 0.4319 0.2710 -0.0344 -0.1151 105 PRO B CA 682 C C . PRO A 90 ? 0.6959 0.8521 0.4520 0.2770 -0.0260 -0.1036 105 PRO B C 683 O O . PRO A 90 ? 0.6862 0.8434 0.4244 0.2964 -0.0255 -0.1014 105 PRO B O 684 C CB . PRO A 90 ? 0.6868 0.8281 0.4465 0.2665 -0.0480 -0.1310 105 PRO B CB 685 C CG . PRO A 90 ? 0.6781 0.8204 0.4551 0.2506 -0.0523 -0.1373 105 PRO B CG 686 C CD . PRO A 90 ? 0.6299 0.7806 0.4226 0.2381 -0.0403 -0.1253 105 PRO B CD 687 N N . TRP A 91 ? 0.6371 0.7936 0.4074 0.2613 -0.0198 -0.0964 106 TRP B N 688 C CA . TRP A 91 ? 0.6326 0.7916 0.3996 0.2653 -0.0122 -0.0850 106 TRP B CA 689 C C . TRP A 91 ? 0.6258 0.7973 0.4031 0.2625 -0.0002 -0.0678 106 TRP B C 690 O O . TRP A 91 ? 0.5597 0.7354 0.3379 0.2639 0.0067 -0.0562 106 TRP B O 691 C CB . TRP A 91 ? 0.6140 0.7634 0.3877 0.2512 -0.0152 -0.0893 106 TRP B CB 692 C CG . TRP A 91 ? 0.6397 0.7765 0.4028 0.2552 -0.0271 -0.1047 106 TRP B CG 693 C CD1 . TRP A 91 ? 0.6774 0.8073 0.4214 0.2712 -0.0316 -0.1088 106 TRP B CD1 694 C CD2 . TRP A 91 ? 0.6777 0.8069 0.4482 0.2441 -0.0371 -0.1182 106 TRP B CD2 695 N NE1 . TRP A 91 ? 0.6704 0.7869 0.4093 0.2697 -0.0448 -0.1248 106 TRP B NE1 696 C CE2 . TRP A 91 ? 0.6807 0.7975 0.4369 0.2527 -0.0483 -0.1304 106 TRP B CE2 697 C CE3 . TRP A 91 ? 0.6759 0.8075 0.4639 0.2278 -0.0378 -0.1208 106 TRP B CE3 698 C CZ2 . TRP A 91 ? 0.7377 0.8450 0.4985 0.2443 -0.0606 -0.1444 106 TRP B CZ2 699 C CZ3 . TRP A 91 ? 0.6732 0.7970 0.4658 0.2203 -0.0488 -0.1342 106 TRP B CZ3 700 C CH2 . TRP A 91 ? 0.6993 0.8114 0.4794 0.2281 -0.0604 -0.1456 106 TRP B CH2 701 N N . ILE A 92 ? 0.6021 0.7795 0.3871 0.2591 0.0018 -0.0657 107 ILE B N 702 C CA . ILE A 92 ? 0.6157 0.8040 0.4091 0.2584 0.0123 -0.0491 107 ILE B CA 703 C C . ILE A 92 ? 0.6661 0.8633 0.4451 0.2804 0.0173 -0.0397 107 ILE B C 704 O O . ILE A 92 ? 0.6776 0.8739 0.4404 0.2969 0.0127 -0.0470 107 ILE B O 705 C CB . ILE A 92 ? 0.6149 0.8061 0.4185 0.2507 0.0132 -0.0491 107 ILE B CB 706 C CG1 . ILE A 92 ? 0.5734 0.7573 0.3923 0.2287 0.0107 -0.0547 107 ILE B CG1 707 C CG2 . ILE A 92 ? 0.6200 0.8219 0.4293 0.2537 0.0233 -0.0315 107 ILE B CG2 708 C CD1 . ILE A 92 ? 0.6026 0.7876 0.4301 0.2215 0.0107 -0.0567 107 ILE B CD1 709 N N . GLN A 93 ? 0.6791 0.8848 0.4637 0.2810 0.0266 -0.0231 108 GLN B N 710 C CA . GLN A 93 ? 0.7413 0.9584 0.5159 0.3007 0.0336 -0.0103 108 GLN B CA 711 C C . GLN A 93 ? 0.7624 0.9899 0.5544 0.2918 0.0429 0.0076 108 GLN B C 712 O O . GLN A 93 ? 0.7422 0.9660 0.5503 0.2721 0.0432 0.0096 108 GLN B O 713 C CB . GLN A 93 ? 0.7430 0.9597 0.5061 0.3116 0.0346 -0.0079 108 GLN B CB 714 C CG . GLN A 93 ? 0.7516 0.9545 0.4979 0.3182 0.0237 -0.0268 108 GLN B CG 715 C CD . GLN A 93 ? 0.8066 1.0087 0.5376 0.3333 0.0251 -0.0239 108 GLN B CD 716 O OE1 . GLN A 93 ? 0.7836 0.9981 0.5141 0.3433 0.0348 -0.0071 108 GLN B OE1 717 N NE2 . GLN A 93 ? 0.8159 1.0034 0.5348 0.3351 0.0152 -0.0396 108 GLN B NE2 718 N N . PRO A 94 ? 0.7824 1.0219 0.5714 0.3059 0.0500 0.0207 109 PRO B N 719 C CA . PRO A 94 ? 0.7936 1.0438 0.5992 0.2991 0.0590 0.0407 109 PRO B CA 720 C C . PRO A 94 ? 0.7610 1.0138 0.5770 0.2901 0.0628 0.0513 109 PRO B C 721 O O . PRO A 94 ? 0.6667 0.9173 0.4729 0.2967 0.0611 0.0471 109 PRO B O 722 C CB . PRO A 94 ? 0.7982 1.0620 0.5941 0.3215 0.0662 0.0535 109 PRO B CB 723 C CG . PRO A 94 ? 0.8230 1.0811 0.5996 0.3357 0.0595 0.0374 109 PRO B CG 724 C CD . PRO A 94 ? 0.8166 1.0601 0.5868 0.3286 0.0494 0.0178 109 PRO B CD 725 N N . GLY A 108 ? 0.7170 0.9552 0.5869 0.2348 0.0631 0.0616 123 GLY B N 726 C CA . GLY A 108 ? 0.7110 0.9475 0.5886 0.2238 0.0627 0.0652 123 GLY B CA 727 C C . GLY A 108 ? 0.7158 0.9516 0.5806 0.2323 0.0596 0.0537 123 GLY B C 728 O O . GLY A 108 ? 0.7313 0.9761 0.5851 0.2504 0.0627 0.0575 123 GLY B O 729 N N . GLU A 109 ? 0.6734 0.8980 0.5384 0.2204 0.0534 0.0393 124 GLU B N 730 C CA . GLU A 109 ? 0.6559 0.8772 0.5078 0.2282 0.0488 0.0260 124 GLU B CA 731 C C . GLU A 109 ? 0.6269 0.8408 0.4835 0.2153 0.0458 0.0212 124 GLU B C 732 O O . GLU A 109 ? 0.5950 0.8045 0.4644 0.1987 0.0459 0.0248 124 GLU B O 733 C CB . GLU A 109 ? 0.6802 0.8949 0.5233 0.2315 0.0423 0.0086 124 GLU B CB 734 C CG . GLU A 109 ? 0.7369 0.9578 0.5754 0.2432 0.0446 0.0117 124 GLU B CG 735 C CD . GLU A 109 ? 0.7923 1.0073 0.6232 0.2457 0.0373 -0.0054 124 GLU B CD 736 O OE1 . GLU A 109 ? 0.7431 0.9491 0.5798 0.2317 0.0319 -0.0170 124 GLU B OE1 737 O OE2 . GLU A 109 ? 0.7468 0.9671 0.5663 0.2622 0.0371 -0.0070 124 GLU B OE2 738 N N . ARG A 110 ? 0.5791 0.7912 0.4241 0.2241 0.0427 0.0130 125 ARG B N 739 C CA . ARG A 110 ? 0.5729 0.7772 0.4198 0.2140 0.0393 0.0066 125 ARG B CA 740 C C . ARG A 110 ? 0.5723 0.7700 0.4042 0.2236 0.0325 -0.0094 125 ARG B C 741 O O . ARG A 110 ? 0.6070 0.8062 0.4293 0.2355 0.0304 -0.0149 125 ARG B O 742 C CB . ARG A 110 ? 0.5757 0.7879 0.4254 0.2171 0.0450 0.0213 125 ARG B CB 743 C CG . ARG A 110 ? 0.6102 0.8313 0.4452 0.2397 0.0483 0.0264 125 ARG B CG 744 C CD . ARG A 110 ? 0.6319 0.8584 0.4678 0.2424 0.0523 0.0367 125 ARG B CD 745 N NE . ARG A 110 ? 0.6759 0.8910 0.5049 0.2388 0.0463 0.0234 125 ARG B NE 746 C CZ . ARG A 110 ? 0.6538 0.8709 0.4802 0.2423 0.0484 0.0287 125 ARG B CZ 747 N NH1 . ARG A 110 ? 0.6639 0.8954 0.4947 0.2499 0.0565 0.0475 125 ARG B NH1 748 N NH2 . ARG A 110 ? 0.6102 0.8152 0.4298 0.2388 0.0423 0.0156 125 ARG B NH2 749 N N . VAL A 111 ? 0.5538 0.7441 0.3835 0.2189 0.0287 -0.0163 126 VAL B N 750 C CA . VAL A 111 ? 0.5853 0.7668 0.4020 0.2256 0.0208 -0.0320 126 VAL B CA 751 C C . VAL A 111 ? 0.6274 0.8090 0.4338 0.2362 0.0220 -0.0285 126 VAL B C 752 O O . VAL A 111 ? 0.6186 0.8053 0.4323 0.2317 0.0278 -0.0164 126 VAL B O 753 C CB . VAL A 111 ? 0.6552 0.8255 0.4807 0.2075 0.0142 -0.0450 126 VAL B CB 754 C CG1 . VAL A 111 ? 0.6947 0.8546 0.5148 0.2053 0.0078 -0.0556 126 VAL B CG1 755 C CG2 . VAL A 111 ? 0.6465 0.8157 0.4718 0.2080 0.0097 -0.0545 126 VAL B CG2 756 N N . VAL A 112 ? 0.6464 0.8230 0.4351 0.2515 0.0165 -0.0383 127 VAL B N 757 C CA . VAL A 112 ? 0.6610 0.8365 0.4366 0.2645 0.0172 -0.0360 127 VAL B CA 758 C C . VAL A 112 ? 0.6807 0.8405 0.4439 0.2668 0.0060 -0.0543 127 VAL B C 759 O O . VAL A 112 ? 0.6746 0.8293 0.4291 0.2733 -0.0011 -0.0658 127 VAL B O 760 C CB . VAL A 112 ? 0.6619 0.8492 0.4243 0.2876 0.0237 -0.0247 127 VAL B CB 761 C CG1 . VAL A 112 ? 0.6742 0.8596 0.4208 0.3030 0.0244 -0.0230 127 VAL B CG1 762 C CG2 . VAL A 112 ? 0.6608 0.8639 0.4379 0.2842 0.0345 -0.0050 127 VAL B CG2 763 N N . ASN A 113 ? 0.6610 0.8128 0.4240 0.2610 0.0041 -0.0569 128 ASN B N 764 C CA . ASN A 113 ? 0.6917 0.8276 0.4417 0.2648 -0.0063 -0.0725 128 ASN B CA 765 C C . ASN A 113 ? 0.7059 0.8315 0.4613 0.2532 -0.0167 -0.0883 128 ASN B C 766 O O . ASN A 113 ? 0.7426 0.8578 0.4846 0.2620 -0.0266 -0.1011 128 ASN B O 767 C CB . ASN A 113 ? 0.7296 0.8638 0.4547 0.2908 -0.0085 -0.0745 128 ASN B CB 768 C CG . ASN A 113 ? 0.7420 0.8834 0.4592 0.3036 0.0001 -0.0609 128 ASN B CG 769 O OD1 . ASN A 113 ? 0.7052 0.8491 0.4336 0.2928 0.0052 -0.0529 128 ASN B OD1 770 N ND2 . ASN A 113 ? 0.7849 0.9297 0.4820 0.3277 0.0016 -0.0581 128 ASN B ND2 771 N N . VAL A 114 ? 0.6868 0.8147 0.4617 0.2335 -0.0151 -0.0874 129 VAL B N 772 C CA . VAL A 114 ? 0.6741 0.7931 0.4559 0.2216 -0.0244 -0.1013 129 VAL B CA 773 C C . VAL A 114 ? 0.7343 0.8386 0.5113 0.2183 -0.0323 -0.1111 129 VAL B C 774 O O . VAL A 114 ? 0.7229 0.8254 0.5046 0.2109 -0.0284 -0.1058 129 VAL B O 775 C CB . VAL A 114 ? 0.6518 0.7747 0.4545 0.2011 -0.0206 -0.0982 129 VAL B CB 776 C CG1 . VAL A 114 ? 0.6258 0.7401 0.4363 0.1892 -0.0298 -0.1116 129 VAL B CG1 777 C CG2 . VAL A 114 ? 0.6351 0.7702 0.4426 0.2037 -0.0141 -0.0900 129 VAL B CG2 778 N N . PRO A 115 ? 0.8048 0.8984 0.5725 0.2237 -0.0441 -0.1250 130 PRO B N 779 C CA . PRO A 115 ? 0.8107 0.8886 0.5734 0.2209 -0.0529 -0.1346 130 PRO B CA 780 C C . PRO A 115 ? 0.7689 0.8420 0.5510 0.1985 -0.0554 -0.1384 130 PRO B C 781 O O . PRO A 115 ? 0.7548 0.8259 0.5458 0.1903 -0.0625 -0.1468 130 PRO B O 782 C CB . PRO A 115 ? 0.8645 0.9329 0.6122 0.2337 -0.0657 -0.1478 130 PRO B CB 783 C CG . PRO A 115 ? 0.8313 0.9105 0.5857 0.2335 -0.0648 -0.1477 130 PRO B CG 784 C CD . PRO A 115 ? 0.8163 0.9113 0.5757 0.2350 -0.0503 -0.1321 130 PRO B CD 785 N N . LEU A 116 ? 0.7504 0.8228 0.5390 0.1893 -0.0492 -0.1316 131 LEU B N 786 C CA . LEU A 116 ? 0.7281 0.7955 0.5332 0.1694 -0.0508 -0.1343 131 LEU B CA 787 C C . LEU A 116 ? 0.7117 0.7626 0.5109 0.1689 -0.0616 -0.1450 131 LEU B C 788 O O . LEU A 116 ? 0.7724 0.8154 0.5560 0.1807 -0.0634 -0.1456 131 LEU B O 789 C CB . LEU A 116 ? 0.7402 0.8128 0.5539 0.1601 -0.0403 -0.1226 131 LEU B CB 790 C CG . LEU A 116 ? 0.7560 0.8433 0.5791 0.1563 -0.0300 -0.1111 131 LEU B CG 791 C CD1 . LEU A 116 ? 0.7647 0.8543 0.5965 0.1456 -0.0223 -0.1012 131 LEU B CD1 792 C CD2 . LEU A 116 ? 0.7547 0.8457 0.5903 0.1462 -0.0317 -0.1152 131 LEU B CD2 793 N N . CYS A 117 ? 0.7404 0.7860 0.5527 0.1550 -0.0686 -0.1527 132 CYS B N 794 C CA . CYS A 117 ? 0.7745 0.8037 0.5839 0.1524 -0.0798 -0.1626 132 CYS B CA 795 C C . CYS A 117 ? 0.8215 0.8433 0.6284 0.1492 -0.0760 -0.1582 132 CYS B C 796 O O . CYS A 117 ? 0.7281 0.7581 0.5415 0.1432 -0.0650 -0.1478 132 CYS B O 797 C CB . CYS A 117 ? 0.7750 0.8023 0.6029 0.1361 -0.0867 -0.1691 132 CYS B CB 798 S SG . CYS A 117 ? 0.8263 0.8616 0.6581 0.1396 -0.0930 -0.1753 132 CYS B SG 799 N N . GLN A 118 ? 0.8411 0.8462 0.6379 0.1534 -0.0862 -0.1667 133 GLN B N 800 C CA . GLN A 118 ? 0.8882 0.8834 0.6792 0.1531 -0.0846 -0.1643 133 GLN B CA 801 C C . GLN A 118 ? 0.8439 0.8419 0.6543 0.1335 -0.0785 -0.1587 133 GLN B C 802 O O . GLN A 118 ? 0.8026 0.8038 0.6122 0.1325 -0.0697 -0.1500 133 GLN B O 803 C CB . GLN A 118 ? 0.9670 0.9416 0.7455 0.1594 -0.0990 -0.1763 133 GLN B CB 804 C CG . GLN A 118 ? 1.0162 0.9784 0.7825 0.1646 -0.0985 -0.1749 133 GLN B CG 805 C CD . GLN A 118 ? 1.0601 1.0014 0.8069 0.1773 -0.1128 -0.1867 133 GLN B CD 806 O OE1 . GLN A 118 ? 1.1205 1.0482 0.8736 0.1684 -0.1251 -0.1962 133 GLN B OE1 807 N NE2 . GLN A 118 ? 1.0928 1.0311 0.8157 0.1985 -0.1117 -0.1860 133 GLN B NE2 808 N N . GLU A 119 ? 0.8192 0.8169 0.6469 0.1185 -0.0830 -0.1630 134 GLU B N 809 C CA . GLU A 119 ? 0.8075 0.8072 0.6526 0.1007 -0.0776 -0.1580 134 GLU B CA 810 C C . GLU A 119 ? 0.7490 0.7646 0.6015 0.0962 -0.0642 -0.1468 134 GLU B C 811 O O . GLU A 119 ? 0.7580 0.7745 0.6166 0.0875 -0.0576 -0.1404 134 GLU B O 812 C CB . GLU A 119 ? 0.8356 0.8338 0.6983 0.0869 -0.0846 -0.1639 134 GLU B CB 813 C CG . GLU A 119 ? 0.9018 0.8828 0.7612 0.0874 -0.0991 -0.1743 134 GLU B CG 814 C CD . GLU A 119 ? 0.9153 0.8948 0.7695 0.0960 -0.1099 -0.1833 134 GLU B CD 815 O OE1 . GLU A 119 ? 0.8880 0.8736 0.7287 0.1101 -0.1074 -0.1827 134 GLU B OE1 816 O OE2 . GLU A 119 ? 0.9757 0.9482 0.8398 0.0884 -0.1212 -0.1904 134 GLU B OE2 817 N N . ASP A 120 ? 0.7638 0.7911 0.6153 0.1021 -0.0608 -0.1446 135 ASP B N 818 C CA . ASP A 120 ? 0.7508 0.7918 0.6081 0.0989 -0.0492 -0.1340 135 ASP B CA 819 C C . ASP A 120 ? 0.7695 0.8119 0.6175 0.1056 -0.0421 -0.1252 135 ASP B C 820 O O . ASP A 120 ? 0.7709 0.8177 0.6265 0.0967 -0.0347 -0.1173 135 ASP B O 821 C CB . ASP A 120 ? 0.7466 0.7984 0.6030 0.1058 -0.0477 -0.1334 135 ASP B CB 822 C CG . ASP A 120 ? 0.7653 0.8189 0.6340 0.0973 -0.0527 -0.1399 135 ASP B CG 823 O OD1 . ASP A 120 ? 0.7898 0.8351 0.6579 0.0979 -0.0632 -0.1494 135 ASP B OD1 824 O OD2 . ASP A 120 ? 0.6922 0.7553 0.5716 0.0897 -0.0466 -0.1352 135 ASP B OD2 825 N N . CYS A 121 ? 0.7691 0.8076 0.6003 0.1217 -0.0446 -0.1265 136 CYS B N 826 C CA . CYS A 121 ? 0.8138 0.8540 0.6360 0.1293 -0.0382 -0.1177 136 CYS B CA 827 C C . CYS A 121 ? 0.8024 0.8319 0.6263 0.1216 -0.0393 -0.1183 136 CYS B C 828 O O . CYS A 121 ? 0.7400 0.7743 0.5674 0.1174 -0.0318 -0.1090 136 CYS B O 829 C CB . CYS A 121 ? 0.8871 0.9263 0.6896 0.1505 -0.0401 -0.1185 136 CYS B CB 830 S SG . CYS A 121 ? 0.9255 0.9808 0.7251 0.1619 -0.0349 -0.1127 136 CYS B SG 831 N N . GLU A 122 ? 0.8226 0.8375 0.6447 0.1190 -0.0491 -0.1288 137 GLU B N 832 C CA . GLU A 122 ? 0.8342 0.8373 0.6564 0.1130 -0.0507 -0.1296 137 GLU B CA 833 C C . GLU A 122 ? 0.8281 0.8361 0.6672 0.0954 -0.0442 -0.1234 137 GLU B C 834 O O . GLU A 122 ? 0.7950 0.8027 0.6329 0.0939 -0.0389 -0.1166 137 GLU B O 835 C CB . GLU A 122 ? 0.8905 0.8761 0.7090 0.1128 -0.0635 -0.1420 137 GLU B CB 836 C CG . GLU A 122 ? 0.9753 0.9508 0.7717 0.1322 -0.0704 -0.1479 137 GLU B CG 837 C CD . GLU A 122 ? 1.0244 0.9811 0.8163 0.1325 -0.0852 -0.1611 137 GLU B CD 838 O OE1 . GLU A 122 ? 1.0171 0.9715 0.8251 0.1180 -0.0906 -0.1658 137 GLU B OE1 839 O OE2 . GLU A 122 ? 1.1134 1.0574 0.8853 0.1479 -0.0918 -0.1665 137 GLU B OE2 840 N N . GLU A 123 ? 0.8135 0.8260 0.6673 0.0832 -0.0446 -0.1255 138 GLU B N 841 C CA . GLU A 123 ? 0.7934 0.8100 0.6622 0.0673 -0.0387 -0.1201 138 GLU B CA 842 C C . GLU A 123 ? 0.7143 0.7426 0.5840 0.0670 -0.0285 -0.1089 138 GLU B C 843 O O . GLU A 123 ? 0.6741 0.7024 0.5485 0.0591 -0.0237 -0.1031 138 GLU B O 844 C CB . GLU A 123 ? 0.8316 0.8522 0.7147 0.0568 -0.0406 -0.1240 138 GLU B CB 845 C CG . GLU A 123 ? 0.9074 0.9172 0.7965 0.0509 -0.0501 -0.1329 138 GLU B CG 846 C CD . GLU A 123 ? 0.9330 0.9490 0.8339 0.0454 -0.0533 -0.1371 138 GLU B CD 847 O OE1 . GLU A 123 ? 0.9981 1.0250 0.9081 0.0390 -0.0462 -0.1321 138 GLU B OE1 848 O OE2 . GLU A 123 ? 0.9857 0.9955 0.8868 0.0477 -0.0633 -0.1454 138 GLU B OE2 849 N N . TRP A 124 ? 0.6630 0.7012 0.5290 0.0753 -0.0257 -0.1058 139 TRP B N 850 C CA . TRP A 124 ? 0.6107 0.6603 0.4780 0.0760 -0.0172 -0.0945 139 TRP B CA 851 C C . TRP A 124 ? 0.6299 0.6777 0.4903 0.0805 -0.0141 -0.0880 139 TRP B C 852 O O . TRP A 124 ? 0.5486 0.6000 0.4149 0.0729 -0.0088 -0.0802 139 TRP B O 853 C CB . TRP A 124 ? 0.5944 0.6532 0.4562 0.0876 -0.0160 -0.0927 139 TRP B CB 854 C CG . TRP A 124 ? 0.5748 0.6458 0.4403 0.0876 -0.0083 -0.0814 139 TRP B CG 855 C CD1 . TRP A 124 ? 0.5626 0.6376 0.4343 0.0798 -0.0027 -0.0719 139 TRP B CD1 856 C CD2 . TRP A 124 ? 0.5546 0.6354 0.4181 0.0960 -0.0060 -0.0777 139 TRP B CD2 857 N NE1 . TRP A 124 ? 0.5382 0.6243 0.4127 0.0822 0.0023 -0.0626 139 TRP B NE1 858 C CE2 . TRP A 124 ? 0.5283 0.6183 0.3979 0.0921 0.0008 -0.0656 139 TRP B CE2 859 C CE3 . TRP A 124 ? 0.5618 0.6442 0.4189 0.1064 -0.0096 -0.0833 139 TRP B CE3 860 C CZ2 . TRP A 124 ? 0.5264 0.6270 0.3968 0.0979 0.0046 -0.0585 139 TRP B CZ2 861 C CZ3 . TRP A 124 ? 0.5795 0.6730 0.4364 0.1129 -0.0052 -0.0764 139 TRP B CZ3 862 C CH2 . TRP A 124 ? 0.5624 0.6648 0.4262 0.1085 0.0019 -0.0638 139 TRP B CH2 863 N N . TRP A 125 ? 0.6495 0.6909 0.4967 0.0934 -0.0181 -0.0917 140 TRP B N 864 C CA . TRP A 125 ? 0.6503 0.6895 0.4890 0.1001 -0.0156 -0.0860 140 TRP B CA 865 C C . TRP A 125 ? 0.6214 0.6516 0.4655 0.0886 -0.0161 -0.0868 140 TRP B C 866 O O . TRP A 125 ? 0.6316 0.6662 0.4779 0.0857 -0.0106 -0.0780 140 TRP B O 867 C CB . TRP A 125 ? 0.6720 0.7037 0.4934 0.1174 -0.0207 -0.0915 140 TRP B CB 868 C CG . TRP A 125 ? 0.6996 0.7315 0.5107 0.1276 -0.0170 -0.0843 140 TRP B CG 869 C CD1 . TRP A 125 ? 0.6864 0.7311 0.4921 0.1395 -0.0103 -0.0734 140 TRP B CD1 870 C CD2 . TRP A 125 ? 0.7126 0.7319 0.5180 0.1273 -0.0196 -0.0867 140 TRP B CD2 871 N NE1 . TRP A 125 ? 0.7033 0.7449 0.5002 0.1471 -0.0084 -0.0689 140 TRP B NE1 872 C CE2 . TRP A 125 ? 0.7318 0.7572 0.5277 0.1399 -0.0141 -0.0773 140 TRP B CE2 873 C CE3 . TRP A 125 ? 0.7512 0.7551 0.5594 0.1176 -0.0259 -0.0953 140 TRP B CE3 874 C CZ2 . TRP A 125 ? 0.7571 0.7729 0.5449 0.1437 -0.0147 -0.0767 140 TRP B CZ2 875 C CZ3 . TRP A 125 ? 0.7790 0.7724 0.5791 0.1210 -0.0268 -0.0949 140 TRP B CZ3 876 C CH2 . TRP A 125 ? 0.7796 0.7788 0.5691 0.1341 -0.0212 -0.0860 140 TRP B CH2 877 N N . GLU A 126 ? 0.6733 0.6916 0.5203 0.0819 -0.0229 -0.0967 141 GLU B N 878 C CA . GLU A 126 ? 0.7140 0.7233 0.5668 0.0705 -0.0236 -0.0975 141 GLU B CA 879 C C . GLU A 126 ? 0.6653 0.6834 0.5304 0.0577 -0.0163 -0.0894 141 GLU B C 880 O O . GLU A 126 ? 0.5915 0.6091 0.4569 0.0543 -0.0125 -0.0833 141 GLU B O 881 C CB . GLU A 126 ? 0.7913 0.7891 0.6490 0.0640 -0.0320 -0.1084 141 GLU B CB 882 C CG . GLU A 126 ? 0.8278 0.8155 0.6927 0.0523 -0.0334 -0.1096 141 GLU B CG 883 C CD . GLU A 126 ? 0.8537 0.8314 0.7076 0.0585 -0.0340 -0.1081 141 GLU B CD 884 O OE1 . GLU A 126 ? 0.8375 0.8116 0.6766 0.0731 -0.0365 -0.1096 141 GLU B OE1 885 O OE2 . GLU A 126 ? 0.9670 0.9409 0.8263 0.0496 -0.0314 -0.1047 141 GLU B OE2 886 N N . ASP A 127 ? 0.6232 0.6493 0.4974 0.0515 -0.0146 -0.0893 142 ASP B N 887 C CA . ASP A 127 ? 0.6120 0.6444 0.4964 0.0397 -0.0088 -0.0829 142 ASP B CA 888 C C . ASP A 127 ? 0.5697 0.6118 0.4524 0.0426 -0.0027 -0.0718 142 ASP B C 889 O O . ASP A 127 ? 0.5605 0.6055 0.4497 0.0334 0.0009 -0.0663 142 ASP B O 890 C CB . ASP A 127 ? 0.6036 0.6404 0.4966 0.0334 -0.0090 -0.0861 142 ASP B CB 891 C CG . ASP A 127 ? 0.6396 0.6688 0.5385 0.0275 -0.0145 -0.0951 142 ASP B CG 892 O OD1 . ASP A 127 ? 0.6969 0.7164 0.5954 0.0248 -0.0175 -0.0979 142 ASP B OD1 893 O OD2 . ASP A 127 ? 0.6505 0.6836 0.5550 0.0257 -0.0159 -0.0989 142 ASP B OD2 894 N N . CYS A 128 ? 0.5504 0.5977 0.4248 0.0554 -0.0020 -0.0682 143 CYS B N 895 C CA . CYS A 128 ? 0.5428 0.6010 0.4174 0.0586 0.0035 -0.0562 143 CYS B CA 896 C C . CYS A 128 ? 0.5481 0.6052 0.4156 0.0654 0.0050 -0.0507 143 CYS B C 897 O O . CYS A 128 ? 0.4851 0.5523 0.3543 0.0677 0.0094 -0.0398 143 CYS B O 898 C CB . CYS A 128 ? 0.5576 0.6260 0.4297 0.0685 0.0050 -0.0528 143 CYS B CB 899 S SG . CYS A 128 ? 0.5282 0.6015 0.4099 0.0603 0.0054 -0.0546 143 CYS B SG 900 N N . ARG A 129 ? 0.5781 0.6233 0.4387 0.0682 0.0011 -0.0576 144 ARG B N 901 C CA . ARG A 129 ? 0.6468 0.6903 0.4987 0.0768 0.0024 -0.0528 144 ARG B CA 902 C C . ARG A 129 ? 0.6027 0.6532 0.4606 0.0706 0.0075 -0.0417 144 ARG B C 903 O O . ARG A 129 ? 0.5727 0.6314 0.4268 0.0795 0.0110 -0.0325 144 ARG B O 904 C CB . ARG A 129 ? 0.7331 0.7600 0.5785 0.0768 -0.0027 -0.0619 144 ARG B CB 905 C CG . ARG A 129 ? 0.8499 0.8674 0.6856 0.0864 -0.0094 -0.0725 144 ARG B CG 906 C CD . ARG A 129 ? 0.9700 0.9726 0.7941 0.0931 -0.0137 -0.0772 144 ARG B CD 907 N NE . ARG A 129 ? 1.0084 1.0021 0.8397 0.0800 -0.0144 -0.0784 144 ARG B NE 908 C CZ . ARG A 129 ? 1.0596 1.0440 0.8987 0.0688 -0.0192 -0.0863 144 ARG B CZ 909 N NH1 . ARG A 129 ? 1.0893 1.0668 0.9345 0.0581 -0.0186 -0.0856 144 ARG B NH1 910 N NH2 . ARG A 129 ? 1.1492 1.1318 0.9907 0.0683 -0.0243 -0.0941 144 ARG B NH2 911 N N . MET A 130 ? 0.5590 0.6064 0.4261 0.0560 0.0078 -0.0423 145 MET B N 912 C CA . MET A 130 ? 0.5644 0.6165 0.4365 0.0495 0.0113 -0.0329 145 MET B CA 913 C C . MET A 130 ? 0.4975 0.5617 0.3788 0.0436 0.0143 -0.0242 145 MET B C 914 O O . MET A 130 ? 0.4806 0.5488 0.3669 0.0374 0.0162 -0.0163 145 MET B O 915 C CB . MET A 130 ? 0.6429 0.6836 0.5177 0.0385 0.0098 -0.0379 145 MET B CB 916 C CG . MET A 130 ? 0.7183 0.7462 0.5844 0.0442 0.0064 -0.0451 145 MET B CG 917 S SD . MET A 130 ? 0.9058 0.9351 0.7630 0.0546 0.0088 -0.0369 145 MET B SD 918 C CE . MET A 130 ? 0.8521 0.8894 0.6993 0.0733 0.0094 -0.0343 145 MET B CE 919 N N . SER A 131 ? 0.4664 0.5361 0.3499 0.0457 0.0142 -0.0253 146 SER B N 920 C CA . SER A 131 ? 0.4559 0.5375 0.3470 0.0430 0.0167 -0.0154 146 SER B CA 921 C C . SER A 131 ? 0.4755 0.5692 0.3644 0.0546 0.0198 -0.0042 146 SER B C 922 O O . SER A 131 ? 0.4793 0.5713 0.3588 0.0663 0.0200 -0.0057 146 SER B O 923 C CB . SER A 131 ? 0.4738 0.5570 0.3675 0.0422 0.0159 -0.0199 146 SER B CB 924 O OG . SER A 131 ? 0.4500 0.5236 0.3463 0.0320 0.0136 -0.0293 146 SER B OG 925 N N . TYR A 132 ? 0.4651 0.5704 0.3627 0.0516 0.0220 0.0073 147 TYR B N 926 C CA . TYR A 132 ? 0.4781 0.5976 0.3770 0.0612 0.0255 0.0208 147 TYR B CA 927 C C . TYR A 132 ? 0.4993 0.6307 0.4032 0.0659 0.0274 0.0280 147 TYR B C 928 O O . TYR A 132 ? 0.4755 0.6065 0.3867 0.0566 0.0260 0.0277 147 TYR B O 929 C CB . TYR A 132 ? 0.4951 0.6198 0.4024 0.0530 0.0260 0.0315 147 TYR B CB 930 C CG . TYR A 132 ? 0.5003 0.6184 0.4016 0.0539 0.0258 0.0293 147 TYR B CG 931 C CD1 . TYR A 132 ? 0.4989 0.6013 0.3953 0.0472 0.0231 0.0170 147 TYR B CD1 932 C CD2 . TYR A 132 ? 0.5028 0.6308 0.4040 0.0618 0.0287 0.0405 147 TYR B CD2 933 C CE1 . TYR A 132 ? 0.5279 0.6235 0.4190 0.0480 0.0229 0.0153 147 TYR B CE1 934 C CE2 . TYR A 132 ? 0.5133 0.6346 0.4083 0.0632 0.0286 0.0385 147 TYR B CE2 935 C CZ . TYR A 132 ? 0.5299 0.6345 0.4197 0.0562 0.0256 0.0257 147 TYR B CZ 936 O OH . TYR A 132 ? 0.5379 0.6351 0.4217 0.0574 0.0255 0.0240 147 TYR B OH 937 N N . THR A 133 ? 0.4903 0.6321 0.3896 0.0810 0.0309 0.0350 148 THR B N 938 C CA . THR A 133 ? 0.5182 0.6747 0.4235 0.0869 0.0340 0.0462 148 THR B CA 939 C C . THR A 133 ? 0.5296 0.7015 0.4363 0.0980 0.0388 0.0616 148 THR B C 940 O O . THR A 133 ? 0.4965 0.6665 0.3981 0.1017 0.0394 0.0622 148 THR B O 941 C CB . THR A 133 ? 0.5351 0.6895 0.4315 0.0973 0.0340 0.0381 148 THR B CB 942 O OG1 . THR A 133 ? 0.4871 0.6556 0.3905 0.1018 0.0373 0.0496 148 THR B OG1 943 C CG2 . THR A 133 ? 0.5709 0.7214 0.4512 0.1140 0.0345 0.0322 148 THR B CG2 944 N N . CYS A 134 ? 0.5144 0.7021 0.4290 0.1033 0.0423 0.0749 149 CYS B N 945 C CA . CYS A 134 ? 0.5335 0.7390 0.4518 0.1142 0.0476 0.0919 149 CYS B CA 946 C C . CYS A 134 ? 0.5556 0.7714 0.4654 0.1340 0.0527 0.0968 149 CYS B C 947 O O . CYS A 134 ? 0.4771 0.7086 0.3884 0.1459 0.0580 0.1113 149 CYS B O 948 C CB . CYS A 134 ? 0.5490 0.7676 0.4873 0.1026 0.0477 0.1082 149 CYS B CB 949 S SG . CYS A 134 ? 0.5301 0.7515 0.4796 0.0946 0.0463 0.1113 149 CYS B SG 950 N N . LYS A 135 ? 0.5315 0.7392 0.4325 0.1382 0.0511 0.0853 150 LYS B N 951 C CA . LYS A 135 ? 0.5704 0.7866 0.4622 0.1570 0.0553 0.0888 150 LYS B CA 952 C C . LYS A 135 ? 0.5914 0.7914 0.4653 0.1643 0.0515 0.0699 150 LYS B C 953 O O . LYS A 135 ? 0.5461 0.7308 0.4197 0.1519 0.0458 0.0556 150 LYS B O 954 C CB . LYS A 135 ? 0.5542 0.7815 0.4582 0.1539 0.0573 0.0982 150 LYS B CB 955 C CG . LYS A 135 ? 0.5683 0.8141 0.4918 0.1483 0.0609 0.1194 150 LYS B CG 956 C CD . LYS A 135 ? 0.5713 0.8234 0.5079 0.1410 0.0609 0.1265 150 LYS B CD 957 C CE . LYS A 135 ? 0.5864 0.8441 0.5136 0.1576 0.0649 0.1267 150 LYS B CE 958 N NZ . LYS A 135 ? 0.5533 0.8258 0.4723 0.1794 0.0720 0.1377 150 LYS B NZ 959 N N . SER A 136 ? 0.6215 0.8253 0.4807 0.1849 0.0545 0.0706 151 SER B N 960 C CA . SER A 136 ? 0.6582 0.8478 0.4996 0.1944 0.0502 0.0538 151 SER B CA 961 C C . SER A 136 ? 0.6636 0.8584 0.5063 0.1978 0.0509 0.0539 151 SER B C 962 O O . SER A 136 ? 0.6816 0.8640 0.5169 0.1967 0.0456 0.0389 151 SER B O 963 C CB . SER A 136 ? 0.7214 0.9096 0.5426 0.2168 0.0519 0.0530 151 SER B CB 964 O OG . SER A 136 ? 0.7277 0.9010 0.5412 0.2137 0.0477 0.0434 151 SER B OG 965 N N . ASN A 137 ? 0.6301 0.8439 0.4832 0.2018 0.0573 0.0713 152 ASN B N 966 C CA . ASN A 137 ? 0.6490 0.8688 0.5022 0.2075 0.0589 0.0730 152 ASN B CA 967 C C . ASN A 137 ? 0.5969 0.8229 0.4710 0.1897 0.0592 0.0810 152 ASN B C 968 O O . ASN A 137 ? 0.5412 0.7838 0.4287 0.1894 0.0645 0.0994 152 ASN B O 969 C CB . ASN A 137 ? 0.7087 0.9445 0.5536 0.2305 0.0662 0.0864 152 ASN B CB 970 C CG . ASN A 137 ? 0.7814 1.0076 0.6016 0.2499 0.0647 0.0760 152 ASN B CG 971 O OD1 . ASN A 137 ? 0.8243 1.0572 0.6380 0.2625 0.0690 0.0845 152 ASN B OD1 972 N ND2 . ASN A 137 ? 0.8361 1.0457 0.6424 0.2524 0.0578 0.0573 152 ASN B ND2 973 N N . TRP A 138 ? 0.5929 0.8045 0.4694 0.1750 0.0531 0.0669 153 TRP B N 974 C CA . TRP A 138 ? 0.5748 0.7871 0.4686 0.1567 0.0518 0.0709 153 TRP B CA 975 C C . TRP A 138 ? 0.5756 0.7986 0.4756 0.1607 0.0551 0.0803 153 TRP B C 976 O O . TRP A 138 ? 0.5826 0.8092 0.4981 0.1477 0.0550 0.0886 153 TRP B O 977 C CB . TRP A 138 ? 0.5443 0.7381 0.4364 0.1425 0.0449 0.0527 153 TRP B CB 978 C CG . TRP A 138 ? 0.5485 0.7320 0.4406 0.1325 0.0416 0.0462 153 TRP B CG 979 C CD1 . TRP A 138 ? 0.5488 0.7357 0.4386 0.1370 0.0435 0.0521 153 TRP B CD1 980 C CD2 . TRP A 138 ? 0.5360 0.7045 0.4300 0.1172 0.0362 0.0330 153 TRP B CD2 981 N NE1 . TRP A 138 ? 0.5181 0.6925 0.4084 0.1249 0.0394 0.0432 153 TRP B NE1 982 C CE2 . TRP A 138 ? 0.5043 0.6675 0.3972 0.1128 0.0351 0.0316 153 TRP B CE2 983 C CE3 . TRP A 138 ? 0.5038 0.6634 0.4002 0.1075 0.0326 0.0228 153 TRP B CE3 984 C CZ2 . TRP A 138 ? 0.4896 0.6390 0.3840 0.0990 0.0307 0.0207 153 TRP B CZ2 985 C CZ3 . TRP A 138 ? 0.5146 0.6613 0.4126 0.0941 0.0285 0.0124 153 TRP B CZ3 986 C CH2 . TRP A 138 ? 0.4941 0.6358 0.3911 0.0899 0.0276 0.0116 153 TRP B CH2 987 N N . ARG A 139 ? 0.5904 0.8180 0.4781 0.1788 0.0577 0.0793 154 ARG B N 988 C CA . ARG A 139 ? 0.5882 0.8252 0.4808 0.1831 0.0610 0.0875 154 ARG B CA 989 C C . ARG A 139 ? 0.6096 0.8641 0.5204 0.1798 0.0665 0.1102 154 ARG B C 990 O O . ARG A 139 ? 0.5872 0.8463 0.5067 0.1765 0.0676 0.1167 154 ARG B O 991 C CB . ARG A 139 ? 0.6068 0.8473 0.4818 0.2055 0.0634 0.0843 154 ARG B CB 992 C CG . ARG A 139 ? 0.5951 0.8492 0.4625 0.2250 0.0700 0.0969 154 ARG B CG 993 C CD . ARG A 139 ? 0.6349 0.8862 0.4796 0.2472 0.0700 0.0882 154 ARG B CD 994 N NE . ARG A 139 ? 0.6383 0.9009 0.4729 0.2673 0.0762 0.0991 154 ARG B NE 995 C CZ . ARG A 139 ? 0.6206 0.9038 0.4610 0.2791 0.0851 0.1198 154 ARG B CZ 996 N NH1 . ARG A 139 ? 0.6063 0.9008 0.4630 0.2726 0.0886 0.1321 154 ARG B NH1 997 N NH2 . ARG A 139 ? 0.6067 0.8993 0.4363 0.2983 0.0908 0.1288 154 ARG B NH2 998 N N . GLY A 140 ? 0.5827 0.8470 0.4994 0.1811 0.0696 0.1225 155 GLY B N 999 C CA . GLY A 140 ? 0.5827 0.8646 0.5191 0.1768 0.0741 0.1452 155 GLY B CA 1000 C C . GLY A 140 ? 0.5953 0.8851 0.5375 0.1760 0.0759 0.1551 155 GLY B C 1001 O O . GLY A 140 ? 0.6077 0.8883 0.5379 0.1787 0.0738 0.1439 155 GLY B O 1002 N N . GLY A 141 ? 0.6146 0.9216 0.5761 0.1720 0.0794 0.1766 156 GLY B N 1003 C CA . GLY A 141 ? 0.5992 0.9166 0.5693 0.1706 0.0811 0.1887 156 GLY B CA 1004 C C . GLY A 141 ? 0.6089 0.9148 0.5891 0.1486 0.0738 0.1833 156 GLY B C 1005 O O . GLY A 141 ? 0.5914 0.8980 0.5706 0.1481 0.0735 0.1841 156 GLY B O 1006 N N . TRP A 142 ? 0.5508 0.8459 0.5397 0.1315 0.0679 0.1782 157 TRP B N 1007 C CA . TRP A 142 ? 0.5567 0.8409 0.5556 0.1107 0.0605 0.1744 157 TRP B CA 1008 C C . TRP A 142 ? 0.5681 0.8658 0.5907 0.1004 0.0597 0.1955 157 TRP B C 1009 O O . TRP A 142 ? 0.5306 0.8421 0.5625 0.1060 0.0637 0.2101 157 TRP B O 1010 C CB . TRP A 142 ? 0.5430 0.8065 0.5363 0.0989 0.0543 0.1565 157 TRP B CB 1011 C CG . TRP A 142 ? 0.5218 0.7713 0.4949 0.1059 0.0536 0.1360 157 TRP B CG 1012 C CD1 . TRP A 142 ? 0.5210 0.7682 0.4804 0.1190 0.0560 0.1271 157 TRP B CD1 1013 C CD2 . TRP A 142 ? 0.5117 0.7479 0.4764 0.1003 0.0500 0.1222 157 TRP B CD2 1014 N NE1 . TRP A 142 ? 0.5352 0.7680 0.4790 0.1212 0.0532 0.1083 157 TRP B NE1 1015 C CE2 . TRP A 142 ? 0.5073 0.7332 0.4542 0.1099 0.0499 0.1054 157 TRP B CE2 1016 C CE3 . TRP A 142 ? 0.5104 0.7423 0.4810 0.0883 0.0465 0.1229 157 TRP B CE3 1017 C CZ2 . TRP A 142 ? 0.5076 0.7191 0.4438 0.1070 0.0465 0.0898 157 TRP B CZ2 1018 C CZ3 . TRP A 142 ? 0.4984 0.7164 0.4572 0.0864 0.0439 0.1074 157 TRP B CZ3 1019 C CH2 . TRP A 142 ? 0.5157 0.7236 0.4581 0.0955 0.0439 0.0914 157 TRP B CH2 1020 N N . ASP A 143 ? 0.5981 0.8914 0.6305 0.0851 0.0539 0.1971 158 ASP B N 1021 C CA . ASP A 143 ? 0.6475 0.9480 0.7025 0.0709 0.0497 0.2137 158 ASP B CA 1022 C C . ASP A 143 ? 0.6766 0.9577 0.7319 0.0562 0.0422 0.2026 158 ASP B C 1023 O O . ASP A 143 ? 0.6991 0.9612 0.7445 0.0472 0.0368 0.1854 158 ASP B O 1024 C CB . ASP A 143 ? 0.6730 0.9759 0.7361 0.0620 0.0460 0.2188 158 ASP B CB 1025 C CG . ASP A 143 ? 0.7135 1.0248 0.8011 0.0474 0.0405 0.2371 158 ASP B CG 1026 O OD1 . ASP A 143 ? 0.7625 1.0702 0.8591 0.0396 0.0369 0.2410 158 ASP B OD1 1027 O OD2 . ASP A 143 ? 0.7672 1.0883 0.8651 0.0437 0.0391 0.2476 158 ASP B OD2 1028 N N . TRP A 144 ? 0.7163 1.0024 0.7824 0.0544 0.0423 0.2131 159 TRP B N 1029 C CA . TRP A 144 ? 0.7281 0.9963 0.7914 0.0446 0.0368 0.2024 159 TRP B CA 1030 C C . TRP A 144 ? 0.8366 1.0995 0.9175 0.0266 0.0282 0.2118 159 TRP B C 1031 O O . TRP A 144 ? 0.8386 1.0888 0.9186 0.0204 0.0243 0.2067 159 TRP B O 1032 C CB . TRP A 144 ? 0.6896 0.9642 0.7487 0.0575 0.0429 0.2046 159 TRP B CB 1033 C CG . TRP A 144 ? 0.6693 0.9348 0.7071 0.0683 0.0460 0.1856 159 TRP B CG 1034 C CD1 . TRP A 144 ? 0.6707 0.9458 0.6964 0.0867 0.0533 0.1840 159 TRP B CD1 1035 C CD2 . TRP A 144 ? 0.6863 0.9306 0.7116 0.0619 0.0413 0.1650 159 TRP B CD2 1036 N NE1 . TRP A 144 ? 0.6943 0.9550 0.7014 0.0914 0.0526 0.1633 159 TRP B NE1 1037 C CE2 . TRP A 144 ? 0.6932 0.9359 0.7006 0.0762 0.0457 0.1518 159 TRP B CE2 1038 C CE3 . TRP A 144 ? 0.6912 0.9175 0.7183 0.0459 0.0336 0.1566 159 TRP B CE3 1039 C CZ2 . TRP A 144 ? 0.6831 0.9086 0.6768 0.0742 0.0427 0.1314 159 TRP B CZ2 1040 C CZ3 . TRP A 144 ? 0.7042 0.9138 0.7165 0.0450 0.0316 0.1366 159 TRP B CZ3 1041 C CH2 . TRP A 144 ? 0.6921 0.9022 0.6890 0.0587 0.0362 0.1246 159 TRP B CH2 1042 N N . SER A 145 ? 0.9526 1.2237 1.0484 0.0184 0.0246 0.2249 160 SER B N 1043 C CA . SER A 145 ? 1.0391 1.3089 1.1549 0.0026 0.0161 0.2384 160 SER B CA 1044 C C . SER A 145 ? 1.1217 1.3647 1.2317 -0.0133 0.0053 0.2236 160 SER B C 1045 O O . SER A 145 ? 1.1863 1.4226 1.3065 -0.0229 -0.0009 0.2301 160 SER B O 1046 C CB . SER A 145 ? 1.0268 1.3117 1.1594 -0.0023 0.0139 0.2547 160 SER B CB 1047 O OG . SER A 145 ? 1.0694 1.3457 1.1900 -0.0042 0.0121 0.2412 160 SER B OG 1048 N N . GLN A 146 ? 1.1044 1.3316 1.1976 -0.0155 0.0032 0.2043 161 GLN B N 1049 C CA . GLN A 146 ? 1.1175 1.3196 1.2036 -0.0293 -0.0064 0.1904 161 GLN B CA 1050 C C . GLN A 146 ? 1.0686 1.2546 1.1419 -0.0278 -0.0064 0.1766 161 GLN B C 1051 O O . GLN A 146 ? 1.0726 1.2380 1.1402 -0.0383 -0.0142 0.1666 161 GLN B O 1052 C CB . GLN A 146 ? 1.1849 1.3774 1.2591 -0.0323 -0.0084 0.1768 161 GLN B CB 1053 C CG . GLN A 146 ? 1.2375 1.4442 1.3244 -0.0352 -0.0098 0.1902 161 GLN B CG 1054 C CD . GLN A 146 ? 1.2962 1.5087 1.4051 -0.0466 -0.0177 0.2092 161 GLN B CD 1055 O OE1 . GLN A 146 ? 1.3774 1.5729 1.4877 -0.0585 -0.0271 0.2061 161 GLN B OE1 1056 N NE2 . GLN A 146 ? 1.3057 1.5420 1.4320 -0.0429 -0.0143 0.2292 161 GLN B NE2 1057 N N . GLY A 147 ? 1.0322 1.2276 1.1006 -0.0143 0.0022 0.1762 162 GLY B N 1058 C CA . GLY A 147 ? 0.9466 1.1289 1.0023 -0.0109 0.0033 0.1626 162 GLY B CA 1059 C C . GLY A 147 ? 0.9322 1.1101 0.9692 -0.0019 0.0083 0.1442 162 GLY B C 1060 O O . GLY A 147 ? 0.9233 1.0964 0.9497 0.0051 0.0116 0.1340 162 GLY B O 1061 N N . LYS A 148 ? 0.9289 1.1076 0.9622 -0.0028 0.0083 0.1399 163 LYS B N 1062 C CA . LYS A 148 ? 0.9374 1.1149 0.9556 0.0065 0.0133 0.1256 163 LYS B CA 1063 C C . LYS A 148 ? 0.7966 0.9925 0.8191 0.0156 0.0187 0.1362 163 LYS B C 1064 O O . LYS A 148 ? 0.7775 0.9837 0.8140 0.0110 0.0171 0.1516 163 LYS B O 1065 C CB . LYS A 148 ? 0.9971 1.1568 1.0054 -0.0026 0.0084 0.1100 163 LYS B CB 1066 C CG . LYS A 148 ? 1.0204 1.1607 1.0236 -0.0119 0.0027 0.0999 163 LYS B CG 1067 C CD . LYS A 148 ? 1.0116 1.1494 1.0076 -0.0043 0.0062 0.0924 163 LYS B CD 1068 C CE . LYS A 148 ? 0.9875 1.1053 0.9751 -0.0119 0.0014 0.0796 163 LYS B CE 1069 N NZ . LYS A 148 ? 0.9653 1.0727 0.9597 -0.0238 -0.0063 0.0864 163 LYS B NZ 1070 N N . ASN A 149 ? 0.7003 0.9003 0.7107 0.0290 0.0248 0.1282 164 ASN B N 1071 C CA . ASN A 149 ? 0.6459 0.8611 0.6557 0.0406 0.0304 0.1356 164 ASN B CA 1072 C C . ASN A 149 ? 0.6220 0.8346 0.6323 0.0341 0.0278 0.1343 164 ASN B C 1073 O O . ASN A 149 ? 0.6314 0.8279 0.6337 0.0261 0.0236 0.1201 164 ASN B O 1074 C CB . ASN A 149 ? 0.6186 0.8326 0.6118 0.0554 0.0354 0.1230 164 ASN B CB 1075 C CG . ASN A 149 ? 0.6333 0.8279 0.6138 0.0497 0.0316 0.1021 164 ASN B CG 1076 O OD1 . ASN A 149 ? 0.5770 0.7594 0.5592 0.0384 0.0269 0.0962 164 ASN B OD1 1077 N ND2 . ASN A 149 ? 0.6479 0.8392 0.6163 0.0570 0.0333 0.0915 164 ASN B ND2 1078 N N . ARG A 150 ? 0.5879 0.8172 0.6073 0.0387 0.0307 0.1498 165 ARG B N 1079 C CA . ARG A 150 ? 0.6157 0.8457 0.6344 0.0364 0.0297 0.1499 165 ARG B CA 1080 C C . ARG A 150 ? 0.5613 0.8056 0.5739 0.0539 0.0374 0.1548 165 ARG B C 1081 O O . ARG A 150 ? 0.4881 0.7469 0.5030 0.0662 0.0432 0.1652 165 ARG B O 1082 C CB . ARG A 150 ? 0.6824 0.9199 0.7196 0.0245 0.0250 0.1659 165 ARG B CB 1083 C CG . ARG A 150 ? 0.7785 1.0006 0.8210 0.0075 0.0162 0.1620 165 ARG B CG 1084 C CD . ARG A 150 ? 0.8600 1.0861 0.9183 -0.0050 0.0095 0.1748 165 ARG B CD 1085 N NE . ARG A 150 ? 0.9880 1.2339 1.0661 -0.0039 0.0106 0.1972 165 ARG B NE 1086 C CZ . ARG A 150 ? 1.0746 1.3267 1.1709 -0.0153 0.0040 0.2119 165 ARG B CZ 1087 N NH1 . ARG A 150 ? 1.1556 1.3946 1.2514 -0.0283 -0.0045 0.2060 165 ARG B NH1 1088 N NH2 . ARG A 150 ? 1.0797 1.3513 1.1953 -0.0137 0.0057 0.2332 165 ARG B NH2 1089 N N . CYS A 151 ? 0.5295 0.7693 0.5338 0.0554 0.0374 0.1481 166 CYS B N 1090 C CA . CYS A 151 ? 0.5802 0.8321 0.5777 0.0720 0.0440 0.1531 166 CYS B CA 1091 C C . CYS A 151 ? 0.5663 0.8425 0.5802 0.0775 0.0483 0.1773 166 CYS B C 1092 O O . CYS A 151 ? 0.5513 0.8334 0.5824 0.0650 0.0443 0.1893 166 CYS B O 1093 C CB . CYS A 151 ? 0.5730 0.8157 0.5618 0.0701 0.0423 0.1440 166 CYS B CB 1094 S SG . CYS A 151 ? 0.5770 0.7946 0.5458 0.0685 0.0393 0.1173 166 CYS B SG 1095 N N . PRO A 152 ? 0.5716 0.8621 0.5806 0.0962 0.0561 0.1850 167 PRO B N 1096 C CA . PRO A 152 ? 0.6227 0.9384 0.6481 0.1024 0.0611 0.2095 167 PRO B CA 1097 C C . PRO A 152 ? 0.6614 0.9869 0.6914 0.1037 0.0622 0.2186 167 PRO B C 1098 O O . PRO A 152 ? 0.6368 0.9493 0.6546 0.1024 0.0600 0.2054 167 PRO B O 1099 C CB . PRO A 152 ? 0.6306 0.9566 0.6450 0.1243 0.0696 0.2127 167 PRO B CB 1100 C CG . PRO A 152 ? 0.6337 0.9406 0.6234 0.1319 0.0688 0.1896 167 PRO B CG 1101 C CD . PRO A 152 ? 0.6068 0.8917 0.5955 0.1128 0.0603 0.1726 167 PRO B CD 1102 N N . LYS A 153 ? 0.6703 1.0195 0.7183 0.1069 0.0660 0.2420 168 LYS B N 1103 C CA . LYS A 153 ? 0.6751 1.0368 0.7305 0.1081 0.0672 0.2535 168 LYS B CA 1104 C C . LYS A 153 ? 0.6423 1.0015 0.6758 0.1266 0.0731 0.2451 168 LYS B C 1105 O O . LYS A 153 ? 0.5883 0.9532 0.6091 0.1458 0.0802 0.2454 168 LYS B O 1106 C CB . LYS A 153 ? 0.7222 1.1130 0.8004 0.1123 0.0719 0.2817 168 LYS B CB 1107 C CG . LYS A 153 ? 0.7484 1.1556 0.8386 0.1123 0.0729 0.2970 168 LYS B CG 1108 C CD . LYS A 153 ? 0.7849 1.2242 0.8954 0.1220 0.0802 0.3258 168 LYS B CD 1109 C CE . LYS A 153 ? 0.8252 1.2799 0.9613 0.1089 0.0755 0.3441 168 LYS B CE 1110 N NZ . LYS A 153 ? 0.8529 1.3409 1.0044 0.1231 0.0846 0.3715 168 LYS B NZ 1111 N N . GLY A 154 ? 0.6687 1.0186 0.6972 0.1209 0.0696 0.2374 169 GLY B N 1112 C CA . GLY A 154 ? 0.6864 1.0323 0.6949 0.1370 0.0740 0.2298 169 GLY B CA 1113 C C . GLY A 154 ? 0.7117 1.0349 0.6946 0.1444 0.0733 0.2061 169 GLY B C 1114 O O . GLY A 154 ? 0.7605 1.0794 0.7257 0.1592 0.0766 0.2000 169 GLY B O 1115 N N . ALA A 155 ? 0.6801 0.9885 0.6610 0.1345 0.0687 0.1930 170 ALA B N 1116 C CA . ALA A 155 ? 0.6556 0.9420 0.6148 0.1387 0.0666 0.1702 170 ALA B CA 1117 C C . ALA A 155 ? 0.6298 0.8969 0.5855 0.1237 0.0599 0.1558 170 ALA B C 1118 O O . ALA A 155 ? 0.6077 0.8683 0.5744 0.1055 0.0543 0.1534 170 ALA B O 1119 C CB . ALA A 155 ? 0.6338 0.9144 0.5930 0.1354 0.0650 0.1636 170 ALA B CB 1120 N N . GLN A 156 ? 0.6512 0.9093 0.5913 0.1323 0.0606 0.1470 171 GLN B N 1121 C CA . GLN A 156 ? 0.6794 0.9201 0.6153 0.1202 0.0553 0.1345 171 GLN B CA 1122 C C . GLN A 156 ? 0.6004 0.8193 0.5277 0.1113 0.0501 0.1142 171 GLN B C 1123 O O . GLN A 156 ? 0.6263 0.8379 0.5403 0.1216 0.0508 0.1040 171 GLN B O 1124 C CB . GLN A 156 ? 0.7485 0.9846 0.6688 0.1336 0.0577 0.1308 171 GLN B CB 1125 C CG . GLN A 156 ? 0.8369 1.0855 0.7659 0.1331 0.0596 0.1448 171 GLN B CG 1126 C CD . GLN A 156 ? 0.8966 1.1306 0.8104 0.1373 0.0586 0.1344 171 GLN B CD 1127 O OE1 . GLN A 156 ? 0.9682 1.1989 0.8652 0.1550 0.0619 0.1308 171 GLN B OE1 1128 N NE2 . GLN A 156 ? 0.9026 1.1268 0.8212 0.1216 0.0539 0.1295 171 GLN B NE2 1129 N N . CYS A 157 ? 0.5595 0.7680 0.4936 0.0931 0.0447 0.1083 172 CYS B N 1130 C CA . CYS A 157 ? 0.5425 0.7302 0.4681 0.0850 0.0402 0.0893 172 CYS B CA 1131 C C . CYS A 157 ? 0.5312 0.7053 0.4415 0.0910 0.0397 0.0776 172 CYS B C 1132 O O . CYS A 157 ? 0.5246 0.6985 0.4351 0.0893 0.0397 0.0810 172 CYS B O 1133 C CB . CYS A 157 ? 0.5489 0.7298 0.4852 0.0652 0.0351 0.0873 172 CYS B CB 1134 S SG . CYS A 157 ? 0.5720 0.7613 0.5229 0.0570 0.0336 0.0958 172 CYS B SG 1135 N N . LEU A 158 ? 0.5296 0.6921 0.4269 0.0981 0.0388 0.0640 173 LEU B N 1136 C CA . LEU A 158 ? 0.5512 0.6995 0.4335 0.1048 0.0374 0.0526 173 LEU B CA 1137 C C . LEU A 158 ? 0.5774 0.7094 0.4531 0.1008 0.0331 0.0356 173 LEU B C 1138 O O . LEU A 158 ? 0.5708 0.7049 0.4519 0.0962 0.0323 0.0338 173 LEU B O 1139 C CB . LEU A 158 ? 0.5620 0.7171 0.4323 0.1259 0.0415 0.0577 173 LEU B CB 1140 C CG . LEU A 158 ? 0.5670 0.7410 0.4442 0.1324 0.0467 0.0763 173 LEU B CG 1141 C CD1 . LEU A 158 ? 0.5884 0.7714 0.4536 0.1553 0.0518 0.0826 173 LEU B CD1 1142 C CD2 . LEU A 158 ? 0.5717 0.7403 0.4495 0.1259 0.0456 0.0768 173 LEU B CD2 1143 N N . PRO A 159 ? 0.6002 0.7160 0.4648 0.1022 0.0300 0.0234 174 PRO B N 1144 C CA . PRO A 159 ? 0.6024 0.7045 0.4637 0.0971 0.0255 0.0084 174 PRO B CA 1145 C C . PRO A 159 ? 0.5725 0.6774 0.4271 0.1089 0.0253 0.0049 174 PRO B C 1146 O O . PRO A 159 ? 0.5478 0.6599 0.3941 0.1251 0.0281 0.0106 174 PRO B O 1147 C CB . PRO A 159 ? 0.6263 0.7114 0.4775 0.0979 0.0220 -0.0020 174 PRO B CB 1148 C CG . PRO A 159 ? 0.6264 0.7155 0.4797 0.0966 0.0248 0.0073 174 PRO B CG 1149 C CD . PRO A 159 ? 0.6106 0.7190 0.4674 0.1060 0.0299 0.0224 174 PRO B CD 1150 N N . PHE A 160 ? 0.5729 0.6721 0.4308 0.1014 0.0222 -0.0040 175 PHE B N 1151 C CA . PHE A 160 ? 0.5538 0.6523 0.4044 0.1114 0.0205 -0.0105 175 PHE B CA 1152 C C . PHE A 160 ? 0.5747 0.6636 0.4081 0.1269 0.0178 -0.0179 175 PHE B C 1153 O O . PHE A 160 ? 0.5963 0.6898 0.4208 0.1415 0.0186 -0.0170 175 PHE B O 1154 C CB . PHE A 160 ? 0.5436 0.6332 0.3989 0.1002 0.0161 -0.0221 175 PHE B CB 1155 C CG . PHE A 160 ? 0.5280 0.6272 0.3953 0.0917 0.0182 -0.0168 175 PHE B CG 1156 C CD1 . PHE A 160 ? 0.4926 0.6004 0.3710 0.0826 0.0214 -0.0054 175 PHE B CD1 1157 C CD2 . PHE A 160 ? 0.5260 0.6243 0.3930 0.0927 0.0162 -0.0236 175 PHE B CD2 1158 C CE1 . PHE A 160 ? 0.5266 0.6406 0.4149 0.0748 0.0223 -0.0013 175 PHE B CE1 1159 C CE2 . PHE A 160 ? 0.5264 0.6318 0.4033 0.0852 0.0179 -0.0192 175 PHE B CE2 1160 C CZ . PHE A 160 ? 0.5081 0.6205 0.3953 0.0763 0.0208 -0.0082 175 PHE B CZ 1161 N N . SER A 161 ? 0.6205 0.6952 0.4485 0.1242 0.0142 -0.0253 176 SER B N 1162 C CA . SER A 161 ? 0.7175 0.7808 0.5276 0.1395 0.0107 -0.0323 176 SER B CA 1163 C C . SER A 161 ? 0.6922 0.7664 0.4926 0.1579 0.0162 -0.0210 176 SER B C 1164 O O . SER A 161 ? 0.7701 0.8389 0.5539 0.1750 0.0142 -0.0254 176 SER B O 1165 C CB . SER A 161 ? 0.7340 0.7799 0.5412 0.1325 0.0062 -0.0405 176 SER B CB 1166 O OG . SER A 161 ? 0.8035 0.8542 0.6171 0.1262 0.0105 -0.0311 176 SER B OG 1167 N N . HIS A 162 ? 0.6560 0.7457 0.4666 0.1548 0.0227 -0.0063 177 HIS B N 1168 C CA . HIS A 162 ? 0.7059 0.8100 0.5107 0.1716 0.0289 0.0070 177 HIS B CA 1169 C C . HIS A 162 ? 0.7067 0.8235 0.5102 0.1825 0.0318 0.0119 177 HIS B C 1170 O O . HIS A 162 ? 0.7233 0.8408 0.5112 0.2021 0.0330 0.0123 177 HIS B O 1171 C CB . HIS A 162 ? 0.7133 0.8321 0.5323 0.1639 0.0344 0.0225 177 HIS B CB 1172 C CG . HIS A 162 ? 0.7574 0.8950 0.5747 0.1798 0.0415 0.0386 177 HIS B CG 1173 N ND1 . HIS A 162 ? 0.8568 0.9929 0.6592 0.1969 0.0437 0.0414 177 HIS B ND1 1174 C CD2 . HIS A 162 ? 0.7867 0.9452 0.6154 0.1818 0.0470 0.0536 177 HIS B CD2 1175 C CE1 . HIS A 162 ? 0.8224 0.9792 0.6276 0.2092 0.0508 0.0578 177 HIS B CE1 1176 N NE2 . HIS A 162 ? 0.8107 0.9815 0.6325 0.1999 0.0529 0.0658 177 HIS B NE2 1177 N N . TYR A 163 ? 0.6504 0.7766 0.4693 0.1706 0.0331 0.0159 178 TYR B N 1178 C CA . TYR A 163 ? 0.6599 0.7993 0.4793 0.1801 0.0364 0.0222 178 TYR B CA 1179 C C . TYR A 163 ? 0.6159 0.7443 0.4229 0.1875 0.0314 0.0081 178 TYR B C 1180 O O . TYR A 163 ? 0.6101 0.7464 0.4094 0.2027 0.0339 0.0118 178 TYR B O 1181 C CB . TYR A 163 ? 0.6464 0.7989 0.4863 0.1652 0.0392 0.0322 178 TYR B CB 1182 C CG . TYR A 163 ? 0.5963 0.7651 0.4474 0.1640 0.0449 0.0502 178 TYR B CG 1183 C CD1 . TYR A 163 ? 0.5891 0.7561 0.4520 0.1476 0.0436 0.0528 178 TYR B CD1 1184 C CD2 . TYR A 163 ? 0.6028 0.7893 0.4526 0.1801 0.0515 0.0653 178 TYR B CD2 1185 C CE1 . TYR A 163 ? 0.5834 0.7659 0.4574 0.1462 0.0479 0.0696 178 TYR B CE1 1186 C CE2 . TYR A 163 ? 0.5879 0.7911 0.4498 0.1790 0.0565 0.0831 178 TYR B CE2 1187 C CZ . TYR A 163 ? 0.6066 0.8076 0.4808 0.1617 0.0542 0.0850 178 TYR B CZ 1188 O OH . TYR A 163 ? 0.5775 0.7953 0.4647 0.1601 0.0582 0.1028 178 TYR B OH 1189 N N . PHE A 164 ? 0.6137 0.7242 0.4186 0.1776 0.0240 -0.0076 179 PHE B N 1190 C CA . PHE A 164 ? 0.6463 0.7454 0.4407 0.1832 0.0177 -0.0218 179 PHE B CA 1191 C C . PHE A 164 ? 0.7000 0.7788 0.4799 0.1874 0.0106 -0.0349 179 PHE B C 1192 O O . PHE A 164 ? 0.7057 0.7712 0.4906 0.1735 0.0047 -0.0455 179 PHE B O 1193 C CB . PHE A 164 ? 0.6377 0.7351 0.4459 0.1658 0.0148 -0.0280 179 PHE B CB 1194 C CG . PHE A 164 ? 0.6079 0.7225 0.4307 0.1599 0.0208 -0.0155 179 PHE B CG 1195 C CD1 . PHE A 164 ? 0.6229 0.7404 0.4623 0.1413 0.0223 -0.0109 179 PHE B CD1 1196 C CD2 . PHE A 164 ? 0.6249 0.7517 0.4442 0.1730 0.0246 -0.0085 179 PHE B CD2 1197 C CE1 . PHE A 164 ? 0.5925 0.7236 0.4447 0.1356 0.0266 0.0001 179 PHE B CE1 1198 C CE2 . PHE A 164 ? 0.6165 0.7581 0.4499 0.1670 0.0297 0.0033 179 PHE B CE2 1199 C CZ . PHE A 164 ? 0.6107 0.7537 0.4605 0.1481 0.0302 0.0074 179 PHE B CZ 1200 N N . PRO A 165 ? 0.7296 0.8056 0.4913 0.2071 0.0111 -0.0336 180 PRO B N 1201 C CA . PRO A 165 ? 0.7428 0.7978 0.4908 0.2105 0.0039 -0.0454 180 PRO B CA 1202 C C . PRO A 165 ? 0.7445 0.7817 0.4884 0.2057 -0.0066 -0.0629 180 PRO B C 1203 O O . PRO A 165 ? 0.7617 0.7818 0.5044 0.1979 -0.0133 -0.0725 180 PRO B O 1204 C CB . PRO A 165 ? 0.7941 0.8501 0.5209 0.2356 0.0063 -0.0410 180 PRO B CB 1205 C CG . PRO A 165 ? 0.7880 0.8689 0.5240 0.2401 0.0174 -0.0221 180 PRO B CG 1206 C CD . PRO A 165 ? 0.7536 0.8451 0.5071 0.2264 0.0185 -0.0204 180 PRO B CD 1207 N N . THR A 166 ? 0.7217 0.7633 0.4647 0.2097 -0.0084 -0.0664 181 THR B N 1208 C CA . THR A 166 ? 0.7299 0.7568 0.4709 0.2048 -0.0187 -0.0820 181 THR B CA 1209 C C . THR A 166 ? 0.7120 0.7489 0.4711 0.1901 -0.0175 -0.0818 181 THR B C 1210 O O . THR A 166 ? 0.6695 0.7241 0.4369 0.1900 -0.0094 -0.0704 181 THR B O 1211 C CB . THR A 166 ? 0.7362 0.7559 0.4553 0.2261 -0.0243 -0.0893 181 THR B CB 1212 O OG1 . THR A 166 ? 0.7172 0.7550 0.4368 0.2353 -0.0176 -0.0806 181 THR B OG1 1213 C CG2 . THR A 166 ? 0.7802 0.7901 0.4779 0.2444 -0.0248 -0.0888 181 THR B CG2 1214 N N . PRO A 167 ? 0.7241 0.7496 0.4894 0.1783 -0.0257 -0.0941 182 PRO B N 1215 C CA . PRO A 167 ? 0.7271 0.7608 0.5066 0.1673 -0.0255 -0.0954 182 PRO B CA 1216 C C . PRO A 167 ? 0.7325 0.7789 0.5064 0.1805 -0.0221 -0.0910 182 PRO B C 1217 O O . PRO A 167 ? 0.6900 0.7504 0.4765 0.1736 -0.0158 -0.0831 182 PRO B O 1218 C CB . PRO A 167 ? 0.7617 0.7794 0.5418 0.1606 -0.0369 -0.1105 182 PRO B CB 1219 C CG . PRO A 167 ? 0.7959 0.7987 0.5722 0.1573 -0.0407 -0.1141 182 PRO B CG 1220 C CD . PRO A 167 ? 0.7724 0.7774 0.5337 0.1732 -0.0354 -0.1061 182 PRO B CD 1221 N N . ALA A 168 ? 0.7453 0.7861 0.4995 0.2000 -0.0262 -0.0956 183 ALA B N 1222 C CA . ALA A 168 ? 0.7611 0.8134 0.5071 0.2156 -0.0228 -0.0911 183 ALA B CA 1223 C C . ALA A 168 ? 0.7062 0.7787 0.4596 0.2178 -0.0103 -0.0733 183 ALA B C 1224 O O . ALA A 168 ? 0.7513 0.8368 0.5117 0.2177 -0.0060 -0.0674 183 ALA B O 1225 C CB . ALA A 168 ? 0.7904 0.8322 0.5109 0.2383 -0.0286 -0.0977 183 ALA B CB 1226 N N . ASP A 169 ? 0.6646 0.7398 0.4177 0.2190 -0.0049 -0.0643 184 ASP B N 1227 C CA . ASP A 169 ? 0.6542 0.7492 0.4169 0.2196 0.0061 -0.0462 184 ASP B CA 1228 C C . ASP A 169 ? 0.6021 0.7058 0.3875 0.1988 0.0093 -0.0413 184 ASP B C 1229 O O . ASP A 169 ? 0.5713 0.6905 0.3653 0.1991 0.0157 -0.0298 184 ASP B O 1230 C CB . ASP A 169 ? 0.6672 0.7627 0.4276 0.2220 0.0101 -0.0383 184 ASP B CB 1231 C CG . ASP A 169 ? 0.6951 0.7815 0.4315 0.2438 0.0076 -0.0421 184 ASP B CG 1232 O OD1 . ASP A 169 ? 0.6717 0.7654 0.3959 0.2625 0.0103 -0.0382 184 ASP B OD1 1233 O OD2 . ASP A 169 ? 0.7181 0.7896 0.4473 0.2429 0.0030 -0.0490 184 ASP B OD2 1234 N N . LEU A 170 ? 0.6150 0.7078 0.4095 0.1814 0.0045 -0.0497 185 LEU B N 1235 C CA . LEU A 170 ? 0.6498 0.7477 0.4633 0.1622 0.0067 -0.0468 185 LEU B CA 1236 C C . LEU A 170 ? 0.6370 0.7402 0.4544 0.1619 0.0059 -0.0494 185 LEU B C 1237 O O . LEU A 170 ? 0.5419 0.6579 0.3685 0.1593 0.0117 -0.0388 185 LEU B O 1238 C CB . LEU A 170 ? 0.6788 0.7633 0.4990 0.1459 0.0015 -0.0562 185 LEU B CB 1239 C CG . LEU A 170 ? 0.7202 0.8075 0.5581 0.1263 0.0033 -0.0543 185 LEU B CG 1240 C CD1 . LEU A 170 ? 0.7362 0.8374 0.5835 0.1227 0.0109 -0.0391 185 LEU B CD1 1241 C CD2 . LEU A 170 ? 0.7389 0.8144 0.5814 0.1132 0.0000 -0.0606 185 LEU B CD2 1242 N N . CYS A 171 ? 0.7017 0.7949 0.5119 0.1650 -0.0015 -0.0630 186 CYS B N 1243 C CA . CYS A 171 ? 0.7617 0.8593 0.5741 0.1662 -0.0030 -0.0665 186 CYS B CA 1244 C C . CYS A 171 ? 0.7427 0.8548 0.5513 0.1797 0.0033 -0.0556 186 CYS B C 1245 O O . CYS A 171 ? 0.7475 0.8679 0.5651 0.1750 0.0063 -0.0514 186 CYS B O 1246 C CB . CYS A 171 ? 0.8617 0.9469 0.6632 0.1726 -0.0128 -0.0820 186 CYS B CB 1247 S SG . CYS A 171 ? 1.0492 1.1225 0.8638 0.1522 -0.0201 -0.0939 186 CYS B SG 1248 N N . GLU A 172 ? 0.6881 0.8028 0.4826 0.1972 0.0056 -0.0507 187 GLU B N 1249 C CA . GLU A 172 ? 0.6791 0.8067 0.4669 0.2136 0.0108 -0.0416 187 GLU B CA 1250 C C . GLU A 172 ? 0.6390 0.7831 0.4392 0.2104 0.0207 -0.0231 187 GLU B C 1251 O O . GLU A 172 ? 0.6139 0.7696 0.4199 0.2126 0.0252 -0.0148 187 GLU B O 1252 C CB . GLU A 172 ? 0.7025 0.8254 0.4677 0.2361 0.0086 -0.0449 187 GLU B CB 1253 C CG . GLU A 172 ? 0.7492 0.8553 0.5023 0.2395 -0.0027 -0.0636 187 GLU B CG 1254 C CD . GLU A 172 ? 0.8143 0.9125 0.5423 0.2627 -0.0069 -0.0690 187 GLU B CD 1255 O OE1 . GLU A 172 ? 0.8515 0.9572 0.5702 0.2774 -0.0001 -0.0582 187 GLU B OE1 1256 O OE2 . GLU A 172 ? 0.8393 0.9235 0.5569 0.2663 -0.0174 -0.0842 187 GLU B OE2 1257 N N . LYS A 173 ? 0.6214 0.7665 0.4265 0.2049 0.0236 -0.0162 188 LYS B N 1258 C CA . LYS A 173 ? 0.6180 0.7794 0.4348 0.2033 0.0322 0.0025 188 LYS B CA 1259 C C . LYS A 173 ? 0.5998 0.7642 0.4369 0.1822 0.0333 0.0071 188 LYS B C 1260 O O . LYS A 173 ? 0.6282 0.8063 0.4763 0.1805 0.0391 0.0220 188 LYS B O 1261 C CB . LYS A 173 ? 0.6464 0.8099 0.4586 0.2097 0.0353 0.0098 188 LYS B CB 1262 C CG . LYS A 173 ? 0.6643 0.8275 0.4551 0.2340 0.0359 0.0089 188 LYS B CG 1263 C CD . LYS A 173 ? 0.6974 0.8565 0.4802 0.2399 0.0367 0.0108 188 LYS B CD 1264 C CE . LYS A 173 ? 0.7385 0.8930 0.4966 0.2650 0.0357 0.0068 188 LYS B CE 1265 N NZ . LYS A 173 ? 0.7711 0.9237 0.5208 0.2731 0.0379 0.0113 188 LYS B NZ 1266 N N . THR A 174 ? 0.5752 0.7269 0.4174 0.1664 0.0277 -0.0047 189 THR B N 1267 C CA . THR A 174 ? 0.5664 0.7195 0.4256 0.1476 0.0286 -0.0006 189 THR B CA 1268 C C . THR A 174 ? 0.5790 0.7389 0.4445 0.1464 0.0303 0.0028 189 THR B C 1269 O O . THR A 174 ? 0.6065 0.7718 0.4850 0.1359 0.0328 0.0122 189 THR B O 1270 C CB . THR A 174 ? 0.5556 0.6944 0.4186 0.1318 0.0231 -0.0132 189 THR B CB 1271 O OG1 . THR A 174 ? 0.5883 0.7170 0.4430 0.1349 0.0172 -0.0284 189 THR B OG1 1272 C CG2 . THR A 174 ? 0.5468 0.6806 0.4079 0.1293 0.0228 -0.0126 189 THR B CG2 1273 N N . TRP A 175 ? 0.5927 0.7516 0.4484 0.1577 0.0284 -0.0043 190 TRP B N 1274 C CA . TRP A 175 ? 0.6064 0.7705 0.4667 0.1575 0.0295 -0.0025 190 TRP B CA 1275 C C . TRP A 175 ? 0.6549 0.8310 0.5071 0.1768 0.0340 0.0059 190 TRP B C 1276 O O . TRP A 175 ? 0.5973 0.7748 0.4461 0.1826 0.0332 0.0024 190 TRP B O 1277 C CB . TRP A 175 ? 0.6177 0.7703 0.4757 0.1516 0.0230 -0.0192 190 TRP B CB 1278 C CG . TRP A 175 ? 0.6236 0.7693 0.4938 0.1320 0.0211 -0.0231 190 TRP B CG 1279 C CD1 . TRP A 175 ? 0.6202 0.7572 0.4939 0.1205 0.0186 -0.0281 190 TRP B CD1 1280 C CD2 . TRP A 175 ? 0.6140 0.7605 0.4929 0.1233 0.0216 -0.0226 190 TRP B CD2 1281 N NE1 . TRP A 175 ? 0.6320 0.7647 0.5157 0.1054 0.0178 -0.0303 190 TRP B NE1 1282 C CE2 . TRP A 175 ? 0.6185 0.7564 0.5051 0.1070 0.0194 -0.0272 190 TRP B CE2 1283 C CE3 . TRP A 175 ? 0.6594 0.8125 0.5395 0.1282 0.0237 -0.0182 190 TRP B CE3 1284 C CZ2 . TRP A 175 ? 0.6071 0.7426 0.5016 0.0963 0.0194 -0.0280 190 TRP B CZ2 1285 C CZ3 . TRP A 175 ? 0.6341 0.7844 0.5228 0.1170 0.0235 -0.0191 190 TRP B CZ3 1286 C CH2 . TRP A 175 ? 0.6270 0.7682 0.5222 0.1015 0.0212 -0.0241 190 TRP B CH2 1287 N N . SER A 176 ? 0.6256 0.8111 0.4749 0.1873 0.0390 0.0180 191 SER B N 1288 C CA . SER A 176 ? 0.6182 0.8175 0.4618 0.2053 0.0449 0.0297 191 SER B CA 1289 C C . SER A 176 ? 0.6008 0.7959 0.4268 0.2217 0.0417 0.0186 191 SER B C 1290 O O . SER A 176 ? 0.6080 0.8113 0.4329 0.2302 0.0446 0.0236 191 SER B O 1291 C CB . SER A 176 ? 0.6519 0.8626 0.5116 0.1980 0.0498 0.0440 191 SER B CB 1292 O OG . SER A 176 ? 0.6801 0.9067 0.5374 0.2146 0.0568 0.0592 191 SER B OG 1293 N N . ASN A 177 ? 0.5458 0.7275 0.3586 0.2254 0.0350 0.0033 192 ASN B N 1294 C CA . ASN A 177 ? 0.5807 0.7554 0.3755 0.2404 0.0296 -0.0092 192 ASN B CA 1295 C C . ASN A 177 ? 0.6000 0.7704 0.3980 0.2343 0.0248 -0.0193 192 ASN B C 1296 O O . ASN A 177 ? 0.5955 0.7648 0.3804 0.2483 0.0217 -0.0258 192 ASN B O 1297 C CB . ASN A 177 ? 0.6008 0.7865 0.3817 0.2644 0.0352 0.0006 192 ASN B CB 1298 C CG . ASN A 177 ? 0.5955 0.7870 0.3730 0.2722 0.0406 0.0117 192 ASN B CG 1299 O OD1 . ASN A 177 ? 0.5493 0.7294 0.3164 0.2748 0.0360 0.0029 192 ASN B OD1 1300 N ND2 . ASN A 177 ? 0.6081 0.8174 0.3956 0.2751 0.0500 0.0314 192 ASN B ND2 1301 N N . SER A 178 ? 0.5709 0.7386 0.3853 0.2140 0.0239 -0.0209 193 SER B N 1302 C CA . SER A 178 ? 0.5688 0.7311 0.3868 0.2066 0.0188 -0.0318 193 SER B CA 1303 C C . SER A 178 ? 0.5720 0.7204 0.3802 0.2077 0.0091 -0.0496 193 SER B C 1304 O O . SER A 178 ? 0.6052 0.7507 0.4079 0.2127 0.0039 -0.0591 193 SER B O 1305 C CB . SER A 178 ? 0.5338 0.6951 0.3699 0.1855 0.0200 -0.0295 193 SER B CB 1306 O OG . SER A 178 ? 0.5347 0.7077 0.3799 0.1847 0.0273 -0.0139 193 SER B OG 1307 N N . PHE A 179 ? 0.5904 0.7301 0.3971 0.2029 0.0063 -0.0537 194 PHE B N 1308 C CA . PHE A 179 ? 0.6304 0.7555 0.4291 0.2025 -0.0035 -0.0699 194 PHE B CA 1309 C C . PHE A 179 ? 0.6496 0.7692 0.4299 0.2194 -0.0058 -0.0719 194 PHE B C 1310 O O . PHE A 179 ? 0.5828 0.7094 0.3594 0.2273 0.0009 -0.0603 194 PHE B O 1311 C CB . PHE A 179 ? 0.6444 0.7612 0.4562 0.1824 -0.0061 -0.0748 194 PHE B CB 1312 C CG . PHE A 179 ? 0.6440 0.7662 0.4731 0.1662 -0.0022 -0.0703 194 PHE B CG 1313 C CD1 . PHE A 179 ? 0.6244 0.7503 0.4570 0.1657 -0.0033 -0.0735 194 PHE B CD1 1314 C CD2 . PHE A 179 ? 0.6487 0.7716 0.4894 0.1521 0.0021 -0.0632 194 PHE B CD2 1315 C CE1 . PHE A 179 ? 0.6489 0.7784 0.4956 0.1520 0.0000 -0.0697 194 PHE B CE1 1316 C CE2 . PHE A 179 ? 0.6238 0.7496 0.4782 0.1383 0.0049 -0.0598 194 PHE B CE2 1317 C CZ . PHE A 179 ? 0.6310 0.7598 0.4880 0.1384 0.0040 -0.0630 194 PHE B CZ 1318 N N . LYS A 180 ? 0.7046 0.8110 0.4737 0.2244 -0.0161 -0.0868 195 LYS B N 1319 C CA . LYS A 180 ? 0.7778 0.8740 0.5266 0.2407 -0.0214 -0.0927 195 LYS B CA 1320 C C . LYS A 180 ? 0.7569 0.8364 0.5083 0.2287 -0.0313 -0.1060 195 LYS B C 1321 O O . LYS A 180 ? 0.7609 0.8362 0.5205 0.2187 -0.0379 -0.1154 195 LYS B O 1322 C CB . LYS A 180 ? 0.8287 0.9232 0.5605 0.2589 -0.0270 -0.0998 195 LYS B CB 1323 C CG . LYS A 180 ? 0.9215 1.0213 0.6336 0.2830 -0.0221 -0.0921 195 LYS B CG 1324 C CD . LYS A 180 ? 0.9616 1.0479 0.6560 0.2939 -0.0267 -0.0971 195 LYS B CD 1325 C CE . LYS A 180 ? 0.9949 1.0928 0.6781 0.3126 -0.0161 -0.0821 195 LYS B CE 1326 N NZ . LYS A 180 ? 1.0388 1.1237 0.6995 0.3289 -0.0202 -0.0868 195 LYS B NZ 1327 N N . ALA A 181 ? 0.7962 0.8665 0.5416 0.2295 -0.0325 -0.1066 196 ALA B N 1328 C CA . ALA A 181 ? 0.8234 0.8763 0.5704 0.2192 -0.0427 -0.1194 196 ALA B CA 1329 C C . ALA A 181 ? 0.8584 0.8979 0.5877 0.2327 -0.0550 -0.1331 196 ALA B C 1330 O O . ALA A 181 ? 0.8872 0.9244 0.5958 0.2532 -0.0554 -0.1326 196 ALA B O 1331 C CB . ALA A 181 ? 0.8297 0.8759 0.5744 0.2170 -0.0405 -0.1158 196 ALA B CB 1332 N N . SER A 182 ? 0.9002 0.9315 0.6377 0.2216 -0.0651 -0.1448 197 SER B N 1333 C CA . SER A 182 ? 0.9241 0.9426 0.6473 0.2321 -0.0785 -0.1584 197 SER B CA 1334 C C . SER A 182 ? 0.9762 0.9738 0.6931 0.2295 -0.0893 -0.1684 197 SER B C 1335 O O . SER A 182 ? 0.9081 0.9018 0.6410 0.2114 -0.0894 -0.1684 197 SER B O 1336 C CB . SER A 182 ? 0.9374 0.9598 0.6748 0.2215 -0.0842 -0.1649 197 SER B CB 1337 O OG . SER A 182 ? 0.9624 0.9708 0.6883 0.2290 -0.0993 -0.1790 197 SER B OG 1338 N N . PRO A 183 ? 0.9768 0.9598 0.6698 0.2478 -0.0990 -0.1771 198 PRO B N 1339 C CA . PRO A 183 ? 1.0137 0.9743 0.7016 0.2440 -0.1120 -0.1885 198 PRO B CA 1340 C C . PRO A 183 ? 0.9984 0.9529 0.7033 0.2272 -0.1240 -0.1989 198 PRO B C 1341 O O . PRO A 183 ? 1.0723 1.0114 0.7822 0.2170 -0.1328 -0.2055 198 PRO B O 1342 C CB . PRO A 183 ? 1.0524 0.9990 0.7092 0.2693 -0.1203 -0.1958 198 PRO B CB 1343 C CG . PRO A 183 ? 1.0462 1.0072 0.6963 0.2825 -0.1164 -0.1929 198 PRO B CG 1344 C CD . PRO A 183 ? 1.0287 1.0136 0.6984 0.2723 -0.0996 -0.1776 198 PRO B CD 1345 N N . GLU A 184 ? 1.0082 0.9749 0.7227 0.2243 -0.1241 -0.1996 199 GLU B N 1346 C CA . GLU A 184 ? 1.0421 1.0059 0.7746 0.2084 -0.1348 -0.2081 199 GLU B CA 1347 C C . GLU A 184 ? 0.9833 0.9539 0.7426 0.1848 -0.1282 -0.2021 199 GLU B C 1348 O O . GLU A 184 ? 0.9560 0.9399 0.7230 0.1800 -0.1138 -0.1906 199 GLU B O 1349 C CB . GLU A 184 ? 1.0893 1.0654 0.8243 0.2129 -0.1361 -0.2098 199 GLU B CB 1350 C CG . GLU A 184 ? 1.1493 1.1173 0.8578 0.2361 -0.1452 -0.2176 199 GLU B CG 1351 C CD . GLU A 184 ? 1.1612 1.1098 0.8645 0.2363 -0.1659 -0.2333 199 GLU B CD 1352 O OE1 . GLU A 184 ? 1.2043 1.1489 0.8904 0.2523 -0.1745 -0.2405 199 GLU B OE1 1353 O OE2 . GLU A 184 ? 1.1743 1.1114 0.8905 0.2208 -0.1741 -0.2382 199 GLU B OE2 1354 N N . ARG A 185 ? 0.9813 0.9422 0.7544 0.1706 -0.1393 -0.2098 200 ARG B N 1355 C CA . ARG A 185 ? 0.9767 0.9424 0.7744 0.1489 -0.1344 -0.2049 200 ARG B CA 1356 C C . ARG A 185 ? 1.0082 0.9905 0.8265 0.1378 -0.1315 -0.2028 200 ARG B C 1357 O O . ARG A 185 ? 0.9912 0.9824 0.8042 0.1471 -0.1315 -0.2039 200 ARG B O 1358 C CB . ARG A 185 ? 1.0326 0.9791 0.8351 0.1396 -0.1473 -0.2128 200 ARG B CB 1359 C CG . ARG A 185 ? 1.0885 1.0168 0.8704 0.1502 -0.1503 -0.2150 200 ARG B CG 1360 C CD . ARG A 185 ? 1.1055 1.0224 0.8995 0.1349 -0.1525 -0.2145 200 ARG B CD 1361 N NE . ARG A 185 ? 1.0961 1.0220 0.8947 0.1297 -0.1367 -0.2028 200 ARG B NE 1362 C CZ . ARG A 185 ? 1.0872 1.0139 0.9037 0.1126 -0.1323 -0.1979 200 ARG B CZ 1363 N NH1 . ARG A 185 ? 1.1205 1.0408 0.9544 0.0978 -0.1412 -0.2023 200 ARG B NH1 1364 N NH2 . ARG A 185 ? 1.1107 1.0453 0.9282 0.1103 -0.1186 -0.1876 200 ARG B NH2 1365 N N . ARG A 186 ? 0.9741 0.9605 0.8150 0.1187 -0.1289 -0.1996 201 ARG B N 1366 C CA . ARG A 186 ? 0.9322 0.9351 0.7931 0.1076 -0.1237 -0.1958 201 ARG B CA 1367 C C . ARG A 186 ? 0.9673 0.9683 0.8379 0.1038 -0.1377 -0.2047 201 ARG B C 1368 O O . ARG A 186 ? 1.0133 0.9998 0.8854 0.1001 -0.1506 -0.2120 201 ARG B O 1369 C CB . ARG A 186 ? 0.9165 0.9245 0.7964 0.0900 -0.1148 -0.1881 201 ARG B CB 1370 C CG . ARG A 186 ? 0.8826 0.9070 0.7676 0.0877 -0.0996 -0.1779 201 ARG B CG 1371 C CD . ARG A 186 ? 0.8623 0.8894 0.7618 0.0725 -0.0908 -0.1706 201 ARG B CD 1372 N NE . ARG A 186 ? 0.8346 0.8715 0.7309 0.0740 -0.0771 -0.1608 201 ARG B NE 1373 C CZ . ARG A 186 ? 0.8372 0.8799 0.7448 0.0625 -0.0678 -0.1534 201 ARG B CZ 1374 N NH1 . ARG A 186 ? 0.8046 0.8547 0.7081 0.0648 -0.0571 -0.1451 201 ARG B NH1 1375 N NH2 . ARG A 186 ? 0.8006 0.8416 0.7237 0.0489 -0.0692 -0.1539 201 ARG B NH2 1376 N N . ASN A 187 ? 0.9595 0.9752 0.8374 0.1042 -0.1352 -0.2036 202 ASN B N 1377 C CA . ASN A 187 ? 0.9704 0.9877 0.8583 0.1016 -0.1480 -0.2112 202 ASN B CA 1378 C C . ASN A 187 ? 0.9634 0.9680 0.8315 0.1172 -0.1627 -0.2220 202 ASN B C 1379 O O . ASN A 187 ? 0.9564 0.9583 0.8312 0.1152 -0.1764 -0.2297 202 ASN B O 1380 C CB . ASN A 187 ? 0.9845 0.9987 0.8956 0.0834 -0.1548 -0.2124 202 ASN B CB 1381 C CG . ASN A 187 ? 0.9683 0.9946 0.8981 0.0688 -0.1409 -0.2020 202 ASN B CG 1382 O OD1 . ASN A 187 ? 1.0049 1.0464 0.9387 0.0690 -0.1297 -0.1958 202 ASN B OD1 1383 N ND2 . ASN A 187 ? 0.9645 0.9834 0.9054 0.0565 -0.1418 -0.2002 202 ASN B ND2 1384 N N . SER A 188 ? 0.9191 0.9166 0.7627 0.1334 -0.1597 -0.2221 203 SER B N 1385 C CA . SER A 188 ? 0.9622 0.9476 0.7832 0.1510 -0.1721 -0.2318 203 SER B CA 1386 C C . SER A 188 ? 0.9447 0.9431 0.7604 0.1621 -0.1712 -0.2324 203 SER B C 1387 O O . SER A 188 ? 1.0114 1.0015 0.8091 0.1771 -0.1823 -0.2409 203 SER B O 1388 C CB . SER A 188 ? 0.9499 0.9247 0.7461 0.1659 -0.1675 -0.2301 203 SER B CB 1389 O OG . SER A 188 ? 0.9203 0.9098 0.7086 0.1756 -0.1521 -0.2206 203 SER B OG 1390 N N . GLY A 189 ? 0.8429 0.8607 0.6722 0.1560 -0.1579 -0.2234 204 GLY B N 1391 C CA . GLY A 189 ? 0.8314 0.8622 0.6558 0.1664 -0.1550 -0.2224 204 GLY B CA 1392 C C . GLY A 189 ? 0.8538 0.8860 0.6541 0.1860 -0.1467 -0.2181 204 GLY B C 1393 O O . GLY A 189 ? 0.8374 0.8807 0.6322 0.1961 -0.1428 -0.2159 204 GLY B O 1394 N N . ARG A 190 ? 0.8736 0.8958 0.6603 0.1917 -0.1432 -0.2158 205 ARG B N 1395 C CA . ARG A 190 ? 0.9281 0.9512 0.6913 0.2118 -0.1360 -0.2111 205 ARG B CA 1396 C C . ARG A 190 ? 0.8728 0.9053 0.6389 0.2090 -0.1185 -0.1973 205 ARG B C 1397 O O . ARG A 190 ? 0.8580 0.8923 0.6069 0.2246 -0.1116 -0.1916 205 ARG B O 1398 C CB . ARG A 190 ? 1.0000 1.0029 0.7400 0.2257 -0.1478 -0.2202 205 ARG B CB 1399 C CG . ARG A 190 ? 1.0814 1.0718 0.8156 0.2298 -0.1674 -0.2347 205 ARG B CG 1400 C CD . ARG A 190 ? 1.1348 1.1246 0.8438 0.2537 -0.1713 -0.2387 205 ARG B CD 1401 N NE . ARG A 190 ? 1.1855 1.1575 0.8831 0.2602 -0.1923 -0.2538 205 ARG B NE 1402 C CZ . ARG A 190 ? 1.2215 1.1962 0.9232 0.2607 -0.2034 -0.2614 205 ARG B CZ 1403 N NH1 . ARG A 190 ? 1.2847 1.2409 0.9750 0.2664 -0.2237 -0.2753 205 ARG B NH1 1404 N NH2 . ARG A 190 ? 1.2461 1.2411 0.9627 0.2558 -0.1954 -0.2554 205 ARG B NH2 1405 N N . CYS A 191 ? 0.8664 0.9053 0.6542 0.1899 -0.1113 -0.1914 206 CYS B N 1406 C CA . CYS A 191 ? 0.8203 0.8675 0.6120 0.1859 -0.0960 -0.1786 206 CYS B CA 1407 C C . CYS A 191 ? 0.7901 0.8489 0.6051 0.1678 -0.0886 -0.1728 206 CYS B C 1408 O O . CYS A 191 ? 0.7996 0.8577 0.6288 0.1564 -0.0952 -0.1787 206 CYS B O 1409 C CB . CYS A 191 ? 0.8244 0.8592 0.6116 0.1831 -0.0966 -0.1783 206 CYS B CB 1410 S SG . CYS A 191 ? 0.8377 0.8597 0.6415 0.1638 -0.1076 -0.1872 206 CYS B SG 1411 N N . LEU A 192 ? 0.7699 0.8385 0.5887 0.1653 -0.0751 -0.1609 207 LEU B N 1412 C CA . LEU A 192 ? 0.7351 0.8135 0.5731 0.1498 -0.0674 -0.1549 207 LEU B CA 1413 C C . LEU A 192 ? 0.7256 0.8005 0.5735 0.1357 -0.0622 -0.1501 207 LEU B C 1414 O O . LEU A 192 ? 0.6800 0.7502 0.5195 0.1395 -0.0590 -0.1460 207 LEU B O 1415 C CB . LEU A 192 ? 0.7150 0.8064 0.5516 0.1556 -0.0566 -0.1448 207 LEU B CB 1416 C CG . LEU A 192 ? 0.7565 0.8543 0.5872 0.1670 -0.0598 -0.1480 207 LEU B CG 1417 C CD1 . LEU A 192 ? 0.7856 0.8820 0.5951 0.1876 -0.0607 -0.1474 207 LEU B CD1 1418 C CD2 . LEU A 192 ? 0.7483 0.8587 0.5887 0.1626 -0.0502 -0.1395 207 LEU B CD2 1419 N N . GLN A 193 ? 0.6997 0.7778 0.5650 0.1203 -0.0610 -0.1500 208 GLN B N 1420 C CA . GLN A 193 ? 0.7059 0.7823 0.5814 0.1065 -0.0551 -0.1448 208 GLN B CA 1421 C C . GLN A 193 ? 0.6694 0.7559 0.5492 0.1033 -0.0433 -0.1341 208 GLN B C 1422 O O . GLN A 193 ? 0.6480 0.7428 0.5324 0.1034 -0.0409 -0.1328 208 GLN B O 1423 C CB . GLN A 193 ? 0.6963 0.7710 0.5880 0.0924 -0.0597 -0.1498 208 GLN B CB 1424 C CG . GLN A 193 ? 0.7552 0.8189 0.6462 0.0924 -0.0723 -0.1597 208 GLN B CG 1425 C CD . GLN A 193 ? 0.7558 0.8193 0.6656 0.0772 -0.0763 -0.1625 208 GLN B CD 1426 O OE1 . GLN A 193 ? 0.8160 0.8740 0.7295 0.0763 -0.0877 -0.1705 208 GLN B OE1 1427 N NE2 . GLN A 193 ? 0.7582 0.8277 0.6802 0.0656 -0.0673 -0.1557 208 GLN B NE2 1428 N N . LYS A 194 ? 0.6369 0.7220 0.5156 0.1000 -0.0366 -0.1265 209 LYS B N 1429 C CA . LYS A 194 ? 0.5972 0.6900 0.4809 0.0952 -0.0267 -0.1162 209 LYS B CA 1430 C C . LYS A 194 ? 0.5896 0.6832 0.4875 0.0801 -0.0242 -0.1158 209 LYS B C 1431 O O . LYS A 194 ? 0.5736 0.6723 0.4754 0.0762 -0.0175 -0.1090 209 LYS B O 1432 C CB . LYS A 194 ? 0.5940 0.6862 0.4724 0.0970 -0.0208 -0.1073 209 LYS B CB 1433 C CG . LYS A 194 ? 0.6051 0.6892 0.4874 0.0871 -0.0214 -0.1079 209 LYS B CG 1434 C CD . LYS A 194 ? 0.6061 0.6922 0.4881 0.0844 -0.0141 -0.0972 209 LYS B CD 1435 C CE . LYS A 194 ? 0.5939 0.6714 0.4774 0.0771 -0.0153 -0.0985 209 LYS B CE 1436 N NZ . LYS A 194 ? 0.5923 0.6661 0.4873 0.0633 -0.0167 -0.1029 209 LYS B NZ 1437 N N . TRP A 195 ? 0.5870 0.6751 0.4922 0.0720 -0.0295 -0.1225 210 TRP B N 1438 C CA . TRP A 195 ? 0.5794 0.6691 0.4978 0.0593 -0.0274 -0.1225 210 TRP B CA 1439 C C . TRP A 195 ? 0.6022 0.6890 0.5285 0.0553 -0.0359 -0.1311 210 TRP B C 1440 O O . TRP A 195 ? 0.6310 0.7106 0.5526 0.0591 -0.0432 -0.1366 210 TRP B O 1441 C CB . TRP A 195 ? 0.5859 0.6715 0.5074 0.0499 -0.0218 -0.1166 210 TRP B CB 1442 C CG . TRP A 195 ? 0.5675 0.6555 0.4995 0.0389 -0.0173 -0.1143 210 TRP B CG 1443 C CD1 . TRP A 195 ? 0.5572 0.6493 0.4897 0.0369 -0.0107 -0.1084 210 TRP B CD1 1444 C CD2 . TRP A 195 ? 0.5383 0.6243 0.4811 0.0291 -0.0190 -0.1173 210 TRP B CD2 1445 N NE1 . TRP A 195 ? 0.5341 0.6263 0.4753 0.0276 -0.0082 -0.1082 210 TRP B NE1 1446 C CE2 . TRP A 195 ? 0.5503 0.6398 0.4985 0.0227 -0.0126 -0.1130 210 TRP B CE2 1447 C CE3 . TRP A 195 ? 0.5528 0.6340 0.5013 0.0254 -0.0254 -0.1228 210 TRP B CE3 1448 C CZ2 . TRP A 195 ? 0.5330 0.6229 0.4918 0.0137 -0.0116 -0.1136 210 TRP B CZ2 1449 C CZ3 . TRP A 195 ? 0.5426 0.6246 0.5035 0.0153 -0.0246 -0.1227 210 TRP B CZ3 1450 C CH2 . TRP A 195 ? 0.5722 0.6592 0.5380 0.0100 -0.0173 -0.1179 210 TRP B CH2 1451 N N . PHE A 196 ? 0.5992 0.6914 0.5375 0.0479 -0.0349 -0.1318 211 PHE B N 1452 C CA . PHE A 196 ? 0.6447 0.7367 0.5944 0.0423 -0.0423 -0.1381 211 PHE B CA 1453 C C . PHE A 196 ? 0.7001 0.7978 0.6636 0.0317 -0.0370 -0.1346 211 PHE B C 1454 O O . PHE A 196 ? 0.6509 0.7532 0.6133 0.0311 -0.0290 -0.1292 211 PHE B O 1455 C CB . PHE A 196 ? 0.6393 0.7358 0.5879 0.0505 -0.0497 -0.1443 211 PHE B CB 1456 C CG . PHE A 196 ? 0.6049 0.7112 0.5518 0.0557 -0.0442 -0.1412 211 PHE B CG 1457 C CD1 . PHE A 196 ? 0.6216 0.7287 0.5550 0.0663 -0.0406 -0.1380 211 PHE B CD1 1458 C CD2 . PHE A 196 ? 0.6187 0.7335 0.5775 0.0506 -0.0423 -0.1406 211 PHE B CD2 1459 C CE1 . PHE A 196 ? 0.5898 0.7050 0.5216 0.0710 -0.0356 -0.1346 211 PHE B CE1 1460 C CE2 . PHE A 196 ? 0.6199 0.7424 0.5761 0.0559 -0.0373 -0.1377 211 PHE B CE2 1461 C CZ . PHE A 196 ? 0.6143 0.7365 0.5570 0.0659 -0.0342 -0.1349 211 PHE B CZ 1462 N N . GLU A 197 ? 0.7459 0.8430 0.7221 0.0239 -0.0420 -0.1376 212 GLU B N 1463 C CA . GLU A 197 ? 0.8142 0.9166 0.8039 0.0140 -0.0367 -0.1335 212 GLU B CA 1464 C C . GLU A 197 ? 0.8514 0.9655 0.8472 0.0165 -0.0353 -0.1335 212 GLU B C 1465 O O . GLU A 197 ? 0.8283 0.9464 0.8271 0.0209 -0.0430 -0.1388 212 GLU B O 1466 C CB . GLU A 197 ? 0.8322 0.9313 0.8349 0.0053 -0.0427 -0.1356 212 GLU B CB 1467 C CG . GLU A 197 ? 0.8593 0.9599 0.8720 -0.0048 -0.0356 -0.1294 212 GLU B CG 1468 C CD . GLU A 197 ? 0.8681 0.9597 0.8713 -0.0068 -0.0300 -0.1255 212 GLU B CD 1469 O OE1 . GLU A 197 ? 0.9454 1.0274 0.9422 -0.0053 -0.0349 -0.1281 212 GLU B OE1 1470 O OE2 . GLU A 197 ? 0.8033 0.8969 0.8048 -0.0094 -0.0211 -0.1198 212 GLU B OE2 1471 N N . PRO A 198 ? 0.8724 0.9912 0.8688 0.0144 -0.0259 -0.1278 213 PRO B N 1472 C CA . PRO A 198 ? 0.9108 1.0397 0.9104 0.0184 -0.0238 -0.1275 213 PRO B CA 1473 C C . PRO A 198 ? 0.9656 1.1039 0.9815 0.0154 -0.0294 -0.1303 213 PRO B C 1474 O O . PRO A 198 ? 0.9943 1.1397 1.0114 0.0214 -0.0330 -0.1332 213 PRO B O 1475 C CB . PRO A 198 ? 0.8753 1.0046 0.8729 0.0153 -0.0134 -0.1209 213 PRO B CB 1476 C CG . PRO A 198 ? 0.8642 0.9838 0.8559 0.0106 -0.0103 -0.1179 213 PRO B CG 1477 C CD . PRO A 198 ? 0.8698 0.9841 0.8641 0.0084 -0.0177 -0.1218 213 PRO B CD 1478 N N . ALA A 199 ? 0.9842 1.1227 1.0131 0.0063 -0.0303 -0.1287 214 ALA B N 1479 C CA . ALA A 199 ? 0.9552 1.1028 1.0025 0.0020 -0.0366 -0.1303 214 ALA B CA 1480 C C . ALA A 199 ? 0.9613 1.1088 1.0088 0.0071 -0.0490 -0.1380 214 ALA B C 1481 O O . ALA A 199 ? 0.9839 1.1420 1.0422 0.0081 -0.0533 -0.1394 214 ALA B O 1482 C CB . ALA A 199 ? 0.9192 1.0643 0.9793 -0.0085 -0.0372 -0.1274 214 ALA B CB 1483 N N . GLN A 200 ? 1.0286 1.1644 1.0631 0.0113 -0.0545 -0.1427 215 GLN B N 1484 C CA . GLN A 200 ? 1.0460 1.1783 1.0793 0.0160 -0.0679 -0.1507 215 GLN B CA 1485 C C . GLN A 200 ? 1.0451 1.1819 1.0682 0.0278 -0.0706 -0.1548 215 GLN B C 1486 O O . GLN A 200 ? 1.1430 1.2792 1.1670 0.0318 -0.0821 -0.1615 215 GLN B O 1487 C CB . GLN A 200 ? 1.0626 1.1793 1.0843 0.0174 -0.0735 -0.1546 215 GLN B CB 1488 C CG . GLN A 200 ? 1.0716 1.1806 1.0980 0.0078 -0.0702 -0.1508 215 GLN B CG 1489 C CD . GLN A 200 ? 1.0765 1.1927 1.1249 -0.0041 -0.0695 -0.1466 215 GLN B CD 1490 O OE1 . GLN A 200 ? 1.1075 1.2235 1.1598 -0.0108 -0.0610 -0.1402 215 GLN B OE1 1491 N NE2 . GLN A 200 ? 1.0962 1.2195 1.1594 -0.0064 -0.0785 -0.1495 215 GLN B NE2 1492 N N . GLY A 201 ? 0.9647 1.1047 0.9773 0.0338 -0.0609 -0.1508 216 GLY B N 1493 C CA . GLY A 201 ? 0.9302 1.0735 0.9316 0.0458 -0.0630 -0.1539 216 GLY B CA 1494 C C . GLY A 201 ? 0.8653 0.9980 0.8484 0.0549 -0.0666 -0.1574 216 GLY B C 1495 O O . GLY A 201 ? 0.8320 0.9542 0.8117 0.0527 -0.0711 -0.1597 216 GLY B O 1496 N N . ASN A 202 ? 0.7734 0.9092 0.7444 0.0661 -0.0643 -0.1572 217 ASN B N 1497 C CA . ASN A 202 ? 0.7513 0.8799 0.7043 0.0755 -0.0625 -0.1564 217 ASN B CA 1498 C C . ASN A 202 ? 0.7487 0.8707 0.6927 0.0842 -0.0746 -0.1648 217 ASN B C 1499 O O . ASN A 202 ? 0.7015 0.8282 0.6435 0.0919 -0.0809 -0.1694 217 ASN B O 1500 C CB . ASN A 202 ? 0.7265 0.8619 0.6714 0.0837 -0.0543 -0.1513 217 ASN B CB 1501 C CG . ASN A 202 ? 0.7277 0.8580 0.6560 0.0930 -0.0505 -0.1478 217 ASN B CG 1502 O OD1 . ASN A 202 ? 0.7374 0.8604 0.6566 0.0986 -0.0563 -0.1516 217 ASN B OD1 1503 N ND2 . ASN A 202 ? 0.6871 0.8211 0.6114 0.0951 -0.0409 -0.1401 217 ASN B ND2 1504 N N . PRO A 203 ? 0.7287 0.8389 0.6659 0.0839 -0.0782 -0.1668 218 PRO B N 1505 C CA . PRO A 203 ? 0.7432 0.8445 0.6698 0.0928 -0.0905 -0.1753 218 PRO B CA 1506 C C . PRO A 203 ? 0.7124 0.8131 0.6185 0.1100 -0.0895 -0.1755 218 PRO B C 1507 O O . PRO A 203 ? 0.7501 0.8437 0.6448 0.1199 -0.0998 -0.1830 218 PRO B O 1508 C CB . PRO A 203 ? 0.7374 0.8260 0.6625 0.0870 -0.0924 -0.1758 218 PRO B CB 1509 C CG . PRO A 203 ? 0.7369 0.8281 0.6611 0.0830 -0.0785 -0.1662 218 PRO B CG 1510 C CD . PRO A 203 ? 0.7102 0.8143 0.6460 0.0774 -0.0707 -0.1610 218 PRO B CD 1511 N N . ASN A 204 ? 0.6646 0.7723 0.5660 0.1136 -0.0775 -0.1670 219 ASN B N 1512 C CA . ASN A 204 ? 0.6746 0.7833 0.5579 0.1296 -0.0746 -0.1647 219 ASN B CA 1513 C C . ASN A 204 ? 0.6628 0.7802 0.5427 0.1398 -0.0769 -0.1669 219 ASN B C 1514 O O . ASN A 204 ? 0.6820 0.7993 0.5458 0.1549 -0.0770 -0.1666 219 ASN B O 1515 C CB . ASN A 204 ? 0.6407 0.7528 0.5215 0.1288 -0.0612 -0.1534 219 ASN B CB 1516 C CG . ASN A 204 ? 0.6532 0.7572 0.5351 0.1207 -0.0585 -0.1505 219 ASN B CG 1517 O OD1 . ASN A 204 ? 0.6437 0.7379 0.5229 0.1201 -0.0662 -0.1566 219 ASN B OD1 1518 N ND2 . ASN A 204 ? 0.6625 0.7699 0.5480 0.1149 -0.0479 -0.1410 219 ASN B ND2 1519 N N . VAL A 205 ? 0.6604 0.7858 0.5547 0.1324 -0.0780 -0.1682 220 VAL B N 1520 C CA . VAL A 205 ? 0.6554 0.7895 0.5469 0.1420 -0.0802 -0.1702 220 VAL B CA 1521 C C . VAL A 205 ? 0.6847 0.8130 0.5638 0.1544 -0.0934 -0.1799 220 VAL B C 1522 O O . VAL A 205 ? 0.7039 0.8346 0.5682 0.1696 -0.0930 -0.1797 220 VAL B O 1523 C CB . VAL A 205 ? 0.6477 0.7916 0.5577 0.1321 -0.0802 -0.1706 220 VAL B CB 1524 C CG1 . VAL A 205 ? 0.6381 0.7905 0.5445 0.1429 -0.0837 -0.1733 220 VAL B CG1 1525 C CG2 . VAL A 205 ? 0.6262 0.7748 0.5447 0.1227 -0.0670 -0.1612 220 VAL B CG2 1526 N N . ALA A 206 ? 0.6985 0.8184 0.5830 0.1482 -0.1052 -0.1881 221 ALA B N 1527 C CA . ALA A 206 ? 0.7352 0.8469 0.6082 0.1588 -0.1201 -0.1987 221 ALA B CA 1528 C C . ALA A 206 ? 0.7548 0.8571 0.6037 0.1744 -0.1196 -0.1989 221 ALA B C 1529 O O . ALA A 206 ? 0.7193 0.8185 0.5520 0.1898 -0.1273 -0.2047 221 ALA B O 1530 C CB . ALA A 206 ? 0.7332 0.8363 0.6184 0.1472 -0.1330 -0.2063 221 ALA B CB 1531 N N . VAL A 207 ? 0.7002 0.7985 0.5462 0.1711 -0.1103 -0.1921 222 VAL B N 1532 C CA . VAL A 207 ? 0.7119 0.8024 0.5363 0.1857 -0.1085 -0.1907 222 VAL B CA 1533 C C . VAL A 207 ? 0.7209 0.8213 0.5325 0.2011 -0.0998 -0.1839 222 VAL B C 1534 O O . VAL A 207 ? 0.7232 0.8195 0.5151 0.2188 -0.1042 -0.1872 222 VAL B O 1535 C CB . VAL A 207 ? 0.7049 0.7903 0.5315 0.1776 -0.1003 -0.1840 222 VAL B CB 1536 C CG1 . VAL A 207 ? 0.7321 0.8114 0.5366 0.1937 -0.0975 -0.1813 222 VAL B CG1 1537 C CG2 . VAL A 207 ? 0.7013 0.7762 0.5395 0.1633 -0.1089 -0.1904 222 VAL B CG2 1538 N N . ALA A 208 ? 0.6781 0.7907 0.5004 0.1950 -0.0876 -0.1741 223 ALA B N 1539 C CA . ALA A 208 ? 0.6910 0.8136 0.5039 0.2083 -0.0795 -0.1668 223 ALA B CA 1540 C C . ALA A 208 ? 0.7126 0.8374 0.5176 0.2205 -0.0891 -0.1750 223 ALA B C 1541 O O . ALA A 208 ? 0.6943 0.8209 0.4819 0.2384 -0.0882 -0.1735 223 ALA B O 1542 C CB . ALA A 208 ? 0.6744 0.8078 0.5019 0.1979 -0.0673 -0.1566 223 ALA B CB 1543 N N . ARG A 209 ? 0.7038 0.8291 0.5219 0.2110 -0.0982 -0.1830 224 ARG B N 1544 C CA . ARG A 209 ? 0.7318 0.8596 0.5442 0.2213 -0.1085 -0.1911 224 ARG B CA 1545 C C . ARG A 209 ? 0.7418 0.8578 0.5320 0.2377 -0.1196 -0.1995 224 ARG B C 1546 O O . ARG A 209 ? 0.7247 0.8433 0.4992 0.2548 -0.1215 -0.2009 224 ARG B O 1547 C CB . ARG A 209 ? 0.7640 0.8943 0.5963 0.2072 -0.1176 -0.1979 224 ARG B CB 1548 C CG . ARG A 209 ? 0.7663 0.9110 0.6145 0.1992 -0.1081 -0.1909 224 ARG B CG 1549 C CD . ARG A 209 ? 0.7595 0.9076 0.6303 0.1827 -0.1140 -0.1949 224 ARG B CD 1550 N NE . ARG A 209 ? 0.7888 0.9507 0.6720 0.1784 -0.1060 -0.1891 224 ARG B NE 1551 C CZ . ARG A 209 ? 0.7979 0.9668 0.7016 0.1654 -0.1076 -0.1897 224 ARG B CZ 1552 N NH1 . ARG A 209 ? 0.7523 0.9330 0.6639 0.1641 -0.0996 -0.1842 224 ARG B NH1 1553 N NH2 . ARG A 209 ? 0.8377 1.0020 0.7541 0.1540 -0.1169 -0.1951 224 ARG B NH2 1554 N N . LEU A 210 ? 0.7661 0.8686 0.5538 0.2332 -0.1261 -0.2045 225 LEU B N 1555 C CA . LEU A 210 ? 0.8159 0.9040 0.5812 0.2485 -0.1372 -0.2131 225 LEU B CA 1556 C C . LEU A 210 ? 0.8414 0.9310 0.5830 0.2694 -0.1286 -0.2064 225 LEU B C 1557 O O . LEU A 210 ? 0.7789 0.8651 0.5008 0.2879 -0.1358 -0.2120 225 LEU B O 1558 C CB . LEU A 210 ? 0.8441 0.9175 0.6127 0.2381 -0.1432 -0.2174 225 LEU B CB 1559 C CG . LEU A 210 ? 0.9301 0.9840 0.6796 0.2487 -0.1591 -0.2294 225 LEU B CG 1560 C CD1 . LEU A 210 ? 0.9424 0.9928 0.6794 0.2622 -0.1739 -0.2402 225 LEU B CD1 1561 C CD2 . LEU A 210 ? 0.9458 0.9883 0.7108 0.2304 -0.1678 -0.2348 225 LEU B CD2 1562 N N . PHE A 211 ? 0.8062 0.9013 0.5500 0.2669 -0.1134 -0.1940 226 PHE B N 1563 C CA . PHE A 211 ? 0.8172 0.9163 0.5415 0.2860 -0.1037 -0.1852 226 PHE B CA 1564 C C . PHE A 211 ? 0.8868 0.9991 0.6071 0.2974 -0.0991 -0.1807 226 PHE B C 1565 O O . PHE A 211 ? 0.9027 1.0157 0.6019 0.3185 -0.0985 -0.1794 226 PHE B O 1566 C CB . PHE A 211 ? 0.8413 0.9461 0.5729 0.2789 -0.0885 -0.1713 226 PHE B CB 1567 C CG . PHE A 211 ? 0.8339 0.9263 0.5571 0.2796 -0.0903 -0.1726 226 PHE B CG 1568 C CD1 . PHE A 211 ? 0.8291 0.9107 0.5640 0.2630 -0.0976 -0.1799 226 PHE B CD1 1569 C CD2 . PHE A 211 ? 0.8788 0.9708 0.5827 0.2973 -0.0841 -0.1659 226 PHE B CD2 1570 C CE1 . PHE A 211 ? 0.8312 0.9008 0.5582 0.2637 -0.0992 -0.1810 226 PHE B CE1 1571 C CE2 . PHE A 211 ? 0.8710 0.9517 0.5668 0.2986 -0.0855 -0.1668 226 PHE B CE2 1572 C CZ . PHE A 211 ? 0.8521 0.9211 0.5592 0.2816 -0.0932 -0.1747 226 PHE B CZ 1573 N N . ALA A 212 ? 0.8750 0.9976 0.6149 0.2841 -0.0954 -0.1780 227 ALA B N 1574 C CA . ALA A 212 ? 0.9052 1.0401 0.6428 0.2937 -0.0907 -0.1735 227 ALA B CA 1575 C C . ALA A 212 ? 0.9211 1.0517 0.6423 0.3098 -0.1043 -0.1851 227 ALA B C 1576 O O . ALA A 212 ? 0.9586 1.0936 0.6624 0.3292 -0.1014 -0.1817 227 ALA B O 1577 C CB . ALA A 212 ? 0.8652 1.0099 0.6262 0.2764 -0.0860 -0.1702 227 ALA B CB 1578 N N . SER A 213 ? 0.9072 1.0288 0.6342 0.3016 -0.1195 -0.1984 228 SER B N 1579 C CA . SER A 213 ? 0.9479 1.0644 0.6624 0.3138 -0.1352 -0.2108 228 SER B CA 1580 C C . SER A 213 ? 0.9998 1.1040 0.6846 0.3359 -0.1416 -0.2159 228 SER B C 1581 O O . SER A 213 ? 1.0199 1.1235 0.6870 0.3537 -0.1486 -0.2212 228 SER B O 1582 C CB . SER A 213 ? 0.9400 1.0492 0.6705 0.2976 -0.1506 -0.2228 228 SER B CB 1583 O OG . SER A 213 ? 0.9557 1.0480 0.6800 0.2951 -0.1592 -0.2296 228 SER B OG 1584 N N . GLU A 214 ? 1.0272 1.1216 0.7052 0.3356 -0.1389 -0.2140 229 GLU B N 1585 C CA . GLU A 214 ? 1.1165 1.1973 0.7655 0.3564 -0.1454 -0.2193 229 GLU B CA 1586 C C . GLU A 214 ? 1.1156 1.2048 0.7472 0.3755 -0.1301 -0.2061 229 GLU B C 1587 O O . GLU A 214 ? 1.1335 1.2129 0.7425 0.3917 -0.1313 -0.2069 229 GLU B O 1588 C CB . GLU A 214 ? 1.1539 1.2176 0.8037 0.3469 -0.1530 -0.2258 229 GLU B CB 1589 C CG . GLU A 214 ? 1.1641 1.2210 0.8351 0.3256 -0.1667 -0.2364 229 GLU B CG 1590 C CD . GLU A 214 ? 1.2395 1.2927 0.9063 0.3312 -0.1841 -0.2492 229 GLU B CD 1591 O OE1 . GLU A 214 ? 1.2610 1.3235 0.9505 0.3162 -0.1870 -0.2505 229 GLU B OE1 1592 O OE2 . GLU A 214 ? 1.2288 1.2698 0.8692 0.3511 -0.1951 -0.2578 229 GLU B OE2 1593 N N . PHE A 215 ? 1.0613 1.1686 0.7035 0.3741 -0.1160 -0.1934 230 PHE B N 1594 C CA . PHE A 215 ? 1.0422 1.1599 0.6716 0.3911 -0.1011 -0.1790 230 PHE B CA 1595 C C . PHE A 215 ? 1.0397 1.1530 0.6657 0.3905 -0.0935 -0.1718 230 PHE B C 1596 O O . PHE A 215 ? 1.0325 1.1464 0.6381 0.4106 -0.0877 -0.1653 230 PHE B O 1597 C CB . PHE A 215 ? 1.1018 1.2168 0.7021 0.4189 -0.1071 -0.1837 230 PHE B CB 1598 C CG . PHE A 215 ? 1.1326 1.2477 0.7333 0.4202 -0.1193 -0.1948 230 PHE B CG 1599 C CD1 . PHE A 215 ? 1.1259 1.2572 0.7365 0.4199 -0.1113 -0.1872 230 PHE B CD1 1600 C CD2 . PHE A 215 ? 1.1744 1.2733 0.7672 0.4207 -0.1393 -0.2126 230 PHE B CD2 1601 C CE1 . PHE A 215 ? 1.1589 1.2914 0.7705 0.4212 -0.1224 -0.1970 230 PHE B CE1 1602 C CE2 . PHE A 215 ? 1.2149 1.3150 0.8096 0.4213 -0.1513 -0.2224 230 PHE B CE2 1603 C CZ . PHE A 215 ? 1.2054 1.3229 0.8095 0.4218 -0.1425 -0.2145 230 PHE B CZ 1604 N N . LEU A 216 ? 0.9823 1.0913 0.6279 0.3682 -0.0935 -0.1727 231 LEU B N 1605 C CA . LEU A 216 ? 1.0031 1.1073 0.6473 0.3656 -0.0874 -0.1667 231 LEU B CA 1606 C C . LEU A 216 ? 1.0150 1.1012 0.6337 0.3815 -0.0992 -0.1778 231 LEU B C 1607 O O . LEU A 216 ? 1.0530 1.1331 0.6655 0.3836 -0.0957 -0.1742 231 LEU B O 1608 C CB . LEU A 216 ? 1.0091 1.1287 0.6526 0.3737 -0.0692 -0.1475 231 LEU B CB 1609 C CG . LEU A 216 ? 1.0257 1.1629 0.6852 0.3678 -0.0582 -0.1361 231 LEU B CG 1610 C CD1 . LEU A 216 ? 1.0032 1.1540 0.6606 0.3775 -0.0419 -0.1169 231 LEU B CD1 1611 C CD2 . LEU A 216 ? 0.9729 1.1120 0.6603 0.3406 -0.0576 -0.1369 231 LEU B CD2 1612 N N . TRP B 4 ? 0.7642 0.6313 0.6810 0.0649 0.0127 -0.0060 19 TRP A N 1613 C CA . TRP B 4 ? 0.7551 0.6072 0.6675 0.0595 0.0186 -0.0071 19 TRP A CA 1614 C C . TRP B 4 ? 0.7438 0.5815 0.6470 0.0598 0.0248 -0.0078 19 TRP A C 1615 O O . TRP B 4 ? 0.7545 0.5884 0.6499 0.0656 0.0247 -0.0075 19 TRP A O 1616 C CB . TRP B 4 ? 0.7773 0.6184 0.6796 0.0606 0.0183 -0.0072 19 TRP A CB 1617 C CG . TRP B 4 ? 0.7727 0.6083 0.6779 0.0538 0.0223 -0.0078 19 TRP A CG 1618 C CD1 . TRP B 4 ? 0.8077 0.6266 0.7028 0.0526 0.0283 -0.0081 19 TRP A CD1 1619 C CD2 . TRP B 4 ? 0.7705 0.6172 0.6891 0.0479 0.0209 -0.0078 19 TRP A CD2 1620 N NE1 . TRP B 4 ? 0.7917 0.6121 0.6937 0.0469 0.0307 -0.0082 19 TRP A NE1 1621 C CE2 . TRP B 4 ? 0.7633 0.5998 0.6790 0.0442 0.0262 -0.0081 19 TRP A CE2 1622 C CE3 . TRP B 4 ? 0.7023 0.5662 0.6343 0.0456 0.0160 -0.0074 19 TRP A CE3 1623 C CZ2 . TRP B 4 ? 0.7654 0.6080 0.6907 0.0391 0.0267 -0.0080 19 TRP A CZ2 1624 C CZ3 . TRP B 4 ? 0.8077 0.6761 0.7483 0.0399 0.0164 -0.0074 19 TRP A CZ3 1625 C CH2 . TRP B 4 ? 0.7496 0.6071 0.6865 0.0372 0.0217 -0.0078 19 TRP A CH2 1626 N N . GLY B 5 ? 0.7176 0.5477 0.6219 0.0532 0.0300 -0.0085 20 GLY A N 1627 C CA . GLY B 5 ? 0.7138 0.5311 0.6111 0.0508 0.0360 -0.0093 20 GLY A CA 1628 C C . GLY B 5 ? 0.7264 0.5498 0.6278 0.0512 0.0354 -0.0096 20 GLY A C 1629 O O . GLY B 5 ? 0.6315 0.4710 0.5478 0.0483 0.0329 -0.0096 20 GLY A O 1630 N N . ASP B 6 ? 0.7218 0.5309 0.6084 0.0555 0.0376 -0.0099 21 ASP A N 1631 C CA . ASP B 6 ? 0.7724 0.5835 0.6583 0.0578 0.0370 -0.0101 21 ASP A CA 1632 C C . ASP B 6 ? 0.6686 0.4986 0.5645 0.0632 0.0312 -0.0091 21 ASP A C 1633 O O . ASP B 6 ? 0.6426 0.4797 0.5438 0.0631 0.0306 -0.0092 21 ASP A O 1634 C CB . ASP B 6 ? 0.8810 0.6711 0.7453 0.0639 0.0399 -0.0103 21 ASP A CB 1635 C CG . ASP B 6 ? 1.0017 0.7724 0.8558 0.0571 0.0464 -0.0114 21 ASP A CG 1636 O OD1 . ASP B 6 ? 1.0378 0.8137 0.9029 0.0476 0.0486 -0.0123 21 ASP A OD1 1637 O OD2 . ASP B 6 ? 1.1924 0.9427 1.0269 0.0612 0.0494 -0.0113 21 ASP A OD2 1638 N N . GLU B 7 ? 0.6493 0.4877 0.5476 0.0674 0.0270 -0.0079 22 GLU A N 1639 C CA . GLU B 7 ? 0.6960 0.5540 0.6043 0.0718 0.0214 -0.0066 22 GLU A CA 1640 C C . GLU B 7 ? 0.6228 0.4985 0.5506 0.0645 0.0197 -0.0066 22 GLU A C 1641 O O . GLU B 7 ? 0.6412 0.5335 0.5786 0.0666 0.0160 -0.0055 22 GLU A O 1642 C CB . GLU B 7 ? 0.7703 0.6332 0.6764 0.0767 0.0168 -0.0055 22 GLU A CB 1643 C CG . GLU B 7 ? 0.9369 0.7810 0.8242 0.0822 0.0185 -0.0056 22 GLU A CG 1644 C CD . GLU B 7 ? 1.0290 0.8712 0.9046 0.0936 0.0167 -0.0045 22 GLU A CD 1645 O OE1 . GLU B 7 ? 1.1370 0.9816 1.0076 0.0995 0.0128 -0.0036 22 GLU A OE1 1646 O OE2 . GLU B 7 ? 1.1680 1.0061 1.0388 0.0969 0.0190 -0.0044 22 GLU A OE2 1647 N N . LEU B 8 ? 0.5870 0.4593 0.5199 0.0565 0.0225 -0.0076 23 LEU A N 1648 C CA . LEU B 8 ? 0.5346 0.4212 0.4840 0.0501 0.0215 -0.0077 23 LEU A CA 1649 C C . LEU B 8 ? 0.5017 0.3900 0.4551 0.0474 0.0238 -0.0085 23 LEU A C 1650 O O . LEU B 8 ? 0.4949 0.3949 0.4611 0.0430 0.0230 -0.0084 23 LEU A O 1651 C CB . LEU B 8 ? 0.4912 0.3745 0.4441 0.0437 0.0235 -0.0082 23 LEU A CB 1652 C CG . LEU B 8 ? 0.5371 0.4187 0.4866 0.0452 0.0210 -0.0077 23 LEU A CG 1653 C CD1 . LEU B 8 ? 0.5429 0.4195 0.4945 0.0394 0.0241 -0.0082 23 LEU A CD1 1654 C CD2 . LEU B 8 ? 0.5548 0.4523 0.5128 0.0465 0.0149 -0.0065 23 LEU A CD2 1655 N N . LEU B 9 ? 0.4787 0.3540 0.4202 0.0499 0.0266 -0.0092 24 LEU A N 1656 C CA . LEU B 9 ? 0.4853 0.3607 0.4288 0.0474 0.0283 -0.0102 24 LEU A CA 1657 C C . LEU B 9 ? 0.4965 0.3809 0.4408 0.0541 0.0254 -0.0091 24 LEU A C 1658 O O . LEU B 9 ? 0.4715 0.3554 0.4087 0.0620 0.0237 -0.0079 24 LEU A O 1659 C CB . LEU B 9 ? 0.5279 0.3830 0.4565 0.0458 0.0330 -0.0117 24 LEU A CB 1660 C CG . LEU B 9 ? 0.5491 0.3959 0.4770 0.0388 0.0366 -0.0124 24 LEU A CG 1661 C CD1 . LEU B 9 ? 0.5987 0.4260 0.5124 0.0357 0.0414 -0.0138 24 LEU A CD1 1662 C CD2 . LEU B 9 ? 0.5475 0.4083 0.4924 0.0314 0.0364 -0.0127 24 LEU A CD2 1663 N N . ASN B 10 ? 0.4507 0.3447 0.4042 0.0516 0.0249 -0.0094 25 ASN A N 1664 C CA . ASN B 10 ? 0.4990 0.4005 0.4524 0.0581 0.0231 -0.0082 25 ASN A CA 1665 C C . ASN B 10 ? 0.4500 0.3669 0.4095 0.0640 0.0192 -0.0059 25 ASN A C 1666 O O . ASN B 10 ? 0.4728 0.3903 0.4251 0.0726 0.0183 -0.0046 25 ASN A O 1667 C CB . ASN B 10 ? 0.5576 0.4414 0.4926 0.0636 0.0256 -0.0090 25 ASN A CB 1668 C CG . ASN B 10 ? 0.6765 0.5602 0.6107 0.0637 0.0263 -0.0097 25 ASN A CG 1669 O OD1 . ASN B 10 ? 0.7152 0.5976 0.6542 0.0558 0.0275 -0.0114 25 ASN A OD1 1670 N ND2 . ASN B 10 ? 0.7668 0.6542 0.6964 0.0726 0.0253 -0.0083 25 ASN A ND2 1671 N N . ILE B 11 ? 0.4467 0.3763 0.4195 0.0592 0.0169 -0.0052 26 ILE A N 1672 C CA . ILE B 11 ? 0.4207 0.3669 0.4018 0.0620 0.0128 -0.0031 26 ILE A CA 1673 C C . ILE B 11 ? 0.4289 0.3904 0.4255 0.0564 0.0114 -0.0024 26 ILE A C 1674 O O . ILE B 11 ? 0.3862 0.3449 0.3870 0.0505 0.0134 -0.0037 26 ILE A O 1675 C CB . ILE B 11 ? 0.4606 0.4043 0.4395 0.0613 0.0109 -0.0029 26 ILE A CB 1676 C CG1 . ILE B 11 ? 0.4597 0.3972 0.4421 0.0529 0.0125 -0.0043 26 ILE A CG1 1677 C CG2 . ILE B 11 ? 0.4818 0.4113 0.4444 0.0684 0.0119 -0.0032 26 ILE A CG2 1678 C CD1 . ILE B 11 ? 0.4828 0.4188 0.4639 0.0516 0.0103 -0.0041 26 ILE A CD1 1679 N N . CYS B 12 ? 0.4077 0.3857 0.4124 0.0585 0.0080 -0.0002 27 CYS A N 1680 C CA . CYS B 12 ? 0.4191 0.4118 0.4377 0.0533 0.0065 0.0008 27 CYS A CA 1681 C C . CYS B 12 ? 0.4214 0.4212 0.4456 0.0496 0.0030 0.0017 27 CYS A C 1682 O O . CYS B 12 ? 0.4165 0.4190 0.4371 0.0534 0.0004 0.0026 27 CYS A O 1683 C CB . CYS B 12 ? 0.4179 0.4247 0.4415 0.0582 0.0058 0.0030 27 CYS A CB 1684 S SG . CYS B 12 ? 0.4116 0.4094 0.4264 0.0636 0.0095 0.0020 27 CYS A SG 1685 N N . MET B 13 ? 0.3815 0.3840 0.4135 0.0423 0.0027 0.0015 28 MET A N 1686 C CA . MET B 13 ? 0.3798 0.3885 0.4162 0.0381 -0.0008 0.0024 28 MET A CA 1687 C C . MET B 13 ? 0.3709 0.3977 0.4145 0.0399 -0.0041 0.0050 28 MET A C 1688 O O . MET B 13 ? 0.3290 0.3655 0.3779 0.0421 -0.0031 0.0063 28 MET A O 1689 C CB . MET B 13 ? 0.3662 0.3733 0.4082 0.0306 -0.0002 0.0020 28 MET A CB 1690 C CG . MET B 13 ? 0.3809 0.3990 0.4325 0.0282 0.0002 0.0033 28 MET A CG 1691 S SD . MET B 13 ? 0.3376 0.3514 0.3932 0.0208 0.0013 0.0029 28 MET A SD 1692 C CE . MET B 13 ? 0.3466 0.3502 0.3995 0.0219 0.0058 0.0008 28 MET A CE 1693 N N . ASN B 14 ? 0.3968 0.4286 0.4406 0.0386 -0.0082 0.0056 29 ASN A N 1694 C CA . ASN B 14 ? 0.4433 0.4943 0.4952 0.0385 -0.0118 0.0082 29 ASN A CA 1695 C C . ASN B 14 ? 0.4449 0.5038 0.5066 0.0297 -0.0129 0.0092 29 ASN A C 1696 O O . ASN B 14 ? 0.4398 0.5017 0.5031 0.0239 -0.0166 0.0095 29 ASN A O 1697 C CB . ASN B 14 ? 0.5237 0.5769 0.5710 0.0409 -0.0162 0.0083 29 ASN A CB 1698 C CG . ASN B 14 ? 0.6361 0.7118 0.6924 0.0411 -0.0205 0.0111 29 ASN A CG 1699 O OD1 . ASN B 14 ? 0.7163 0.7968 0.7721 0.0390 -0.0253 0.0113 29 ASN A OD1 1700 N ND2 . ASN B 14 ? 0.6417 0.7317 0.7059 0.0437 -0.0188 0.0133 29 ASN A ND2 1701 N N . ALA B 15 ? 0.4030 0.4641 0.4698 0.0287 -0.0096 0.0097 30 ALA A N 1702 C CA . ALA B 15 ? 0.4326 0.5016 0.5078 0.0216 -0.0100 0.0112 30 ALA A CA 1703 C C . ALA B 15 ? 0.4512 0.5381 0.5346 0.0244 -0.0095 0.0140 30 ALA A C 1704 O O . ALA B 15 ? 0.4454 0.5376 0.5273 0.0324 -0.0088 0.0147 30 ALA A O 1705 C CB . ALA B 15 ? 0.4601 0.5166 0.5339 0.0181 -0.0067 0.0096 30 ALA A CB 1706 N N . LYS B 16 ? 0.4651 0.5610 0.5563 0.0185 -0.0094 0.0159 31 LYS A N 1707 C CA . LYS B 16 ? 0.4856 0.6017 0.5853 0.0203 -0.0099 0.0191 31 LYS A CA 1708 C C . LYS B 16 ? 0.4452 0.5653 0.5452 0.0284 -0.0061 0.0200 31 LYS A C 1709 O O . LYS B 16 ? 0.4243 0.5598 0.5283 0.0335 -0.0064 0.0224 31 LYS A O 1710 C CB . LYS B 16 ? 0.6096 0.7358 0.7174 0.0113 -0.0109 0.0214 31 LYS A CB 1711 C CG . LYS B 16 ? 0.6991 0.8176 0.8075 0.0070 -0.0077 0.0213 31 LYS A CG 1712 C CD . LYS B 16 ? 0.8237 0.9561 0.9404 0.0000 -0.0081 0.0245 31 LYS A CD 1713 C CE . LYS B 16 ? 0.9539 1.0744 1.0680 -0.0086 -0.0075 0.0240 31 LYS A CE 1714 N NZ . LYS B 16 ? 1.0417 1.1745 1.1627 -0.0166 -0.0080 0.0272 31 LYS A NZ 1715 N N . HIS B 17 ? 0.3608 0.4677 0.4562 0.0300 -0.0027 0.0181 32 HIS A N 1716 C CA . HIS B 17 ? 0.3912 0.5002 0.4852 0.0375 0.0005 0.0188 32 HIS A CA 1717 C C . HIS B 17 ? 0.3560 0.4538 0.4399 0.0454 0.0016 0.0166 32 HIS A C 1718 O O . HIS B 17 ? 0.3516 0.4518 0.4327 0.0528 0.0037 0.0174 32 HIS A O 1719 C CB . HIS B 17 ? 0.4162 0.5198 0.5113 0.0347 0.0034 0.0183 32 HIS A CB 1720 C CG . HIS B 17 ? 0.4400 0.5509 0.5427 0.0266 0.0029 0.0203 32 HIS A CG 1721 N ND1 . HIS B 17 ? 0.4907 0.6194 0.6015 0.0254 0.0026 0.0238 32 HIS A ND1 1722 C CD2 . HIS B 17 ? 0.4366 0.5389 0.5392 0.0193 0.0026 0.0193 32 HIS A CD2 1723 C CE1 . HIS B 17 ? 0.4629 0.5925 0.5778 0.0169 0.0022 0.0249 32 HIS A CE1 1724 N NE2 . HIS B 17 ? 0.4652 0.5783 0.5747 0.0136 0.0022 0.0221 32 HIS A NE2 1725 N N . HIS B 18 ? 0.3300 0.4146 0.4075 0.0439 0.0003 0.0141 33 HIS A N 1726 C CA . HIS B 18 ? 0.3254 0.3953 0.3920 0.0496 0.0021 0.0118 33 HIS A CA 1727 C C . HIS B 18 ? 0.3337 0.4086 0.3953 0.0592 0.0020 0.0130 33 HIS A C 1728 O O . HIS B 18 ? 0.2831 0.3713 0.3488 0.0609 -0.0006 0.0151 33 HIS A O 1729 C CB . HIS B 18 ? 0.3310 0.3867 0.3917 0.0462 0.0011 0.0092 33 HIS A CB 1730 C CG . HIS B 18 ? 0.3130 0.3586 0.3744 0.0396 0.0026 0.0073 33 HIS A CG 1731 N ND1 . HIS B 18 ? 0.3086 0.3591 0.3774 0.0326 0.0016 0.0082 33 HIS A ND1 1732 C CD2 . HIS B 18 ? 0.3235 0.3551 0.3792 0.0390 0.0051 0.0049 33 HIS A CD2 1733 C CE1 . HIS B 18 ? 0.3541 0.3942 0.4215 0.0291 0.0035 0.0063 33 HIS A CE1 1734 N NE2 . HIS B 18 ? 0.3363 0.3661 0.3967 0.0327 0.0056 0.0044 33 HIS A NE2 1735 N N . LYS B 19 ? 0.3254 0.3889 0.3772 0.0654 0.0048 0.0117 34 LYS A N 1736 C CA . LYS B 19 ? 0.3757 0.4392 0.4190 0.0758 0.0051 0.0126 34 LYS A CA 1737 C C . LYS B 19 ? 0.3835 0.4388 0.4198 0.0767 0.0031 0.0114 34 LYS A C 1738 O O . LYS B 19 ? 0.3976 0.4419 0.4325 0.0702 0.0026 0.0092 34 LYS A O 1739 C CB . LYS B 19 ? 0.4180 0.4671 0.4498 0.0813 0.0087 0.0111 34 LYS A CB 1740 C CG . LYS B 19 ? 0.4109 0.4679 0.4471 0.0828 0.0108 0.0125 34 LYS A CG 1741 C CD . LYS B 19 ? 0.4176 0.4565 0.4424 0.0843 0.0136 0.0099 34 LYS A CD 1742 C CE . LYS B 19 ? 0.4328 0.4575 0.4411 0.0932 0.0151 0.0090 34 LYS A CE 1743 N NZ . LYS B 19 ? 0.4473 0.4525 0.4438 0.0925 0.0175 0.0060 34 LYS A NZ 1744 N N . ARG B 20 ? 0.3708 0.4317 0.4023 0.0856 0.0021 0.0130 35 ARG A N 1745 C CA . ARG B 20 ? 0.4066 0.4623 0.4315 0.0878 -0.0003 0.0124 35 ARG A CA 1746 C C . ARG B 20 ? 0.3882 0.4185 0.3987 0.0879 0.0022 0.0092 35 ARG A C 1747 O O . ARG B 20 ? 0.4248 0.4462 0.4317 0.0843 0.0009 0.0078 35 ARG A O 1748 C CB . ARG B 20 ? 0.4332 0.5011 0.4552 0.0991 -0.0015 0.0151 35 ARG A CB 1749 C CG . ARG B 20 ? 0.5015 0.5703 0.5192 0.1020 -0.0052 0.0153 35 ARG A CG 1750 C CD . ARG B 20 ? 0.5189 0.6055 0.5369 0.1134 -0.0068 0.0186 35 ARG A CD 1751 N NE . ARG B 20 ? 0.5684 0.6473 0.5744 0.1206 -0.0087 0.0182 35 ARG A NE 1752 C CZ . ARG B 20 ? 0.5849 0.6731 0.5857 0.1331 -0.0097 0.0206 35 ARG A CZ 1753 N NH1 . ARG B 20 ? 0.6062 0.7128 0.6131 0.1401 -0.0085 0.0237 35 ARG A NH1 1754 N NH2 . ARG B 20 ? 0.6496 0.7284 0.6382 0.1393 -0.0115 0.0199 35 ARG A NH2 1755 N N . VAL B 21 ? 0.3952 0.4135 0.3967 0.0918 0.0059 0.0082 36 VAL A N 1756 C CA . VAL B 21 ? 0.4206 0.4150 0.4094 0.0899 0.0088 0.0051 36 VAL A CA 1757 C C . VAL B 21 ? 0.4091 0.3973 0.3969 0.0878 0.0119 0.0039 36 VAL A C 1758 O O . VAL B 21 ? 0.3851 0.3849 0.3781 0.0909 0.0121 0.0056 36 VAL A O 1759 C CB . VAL B 21 ? 0.4481 0.4281 0.4191 0.0995 0.0100 0.0049 36 VAL A CB 1760 C CG1 . VAL B 21 ? 0.4666 0.4512 0.4370 0.1019 0.0067 0.0058 36 VAL A CG1 1761 C CG2 . VAL B 21 ? 0.4721 0.4552 0.4364 0.1103 0.0116 0.0067 36 VAL A CG2 1762 N N . PRO B 22 ? 0.4415 0.4119 0.4225 0.0824 0.0141 0.0011 37 PRO A N 1763 C CA . PRO B 22 ? 0.4266 0.3930 0.4071 0.0803 0.0162 0.0000 37 PRO A CA 1764 C C . PRO B 22 ? 0.4436 0.3994 0.4090 0.0894 0.0184 0.0000 37 PRO A C 1765 O O . PRO B 22 ? 0.4453 0.3902 0.3973 0.0959 0.0191 0.0000 37 PRO A O 1766 C CB . PRO B 22 ? 0.4638 0.4163 0.4424 0.0713 0.0177 -0.0030 37 PRO A CB 1767 C CG . PRO B 22 ? 0.4949 0.4384 0.4674 0.0711 0.0177 -0.0035 37 PRO A CG 1768 C CD . PRO B 22 ? 0.4736 0.4289 0.4485 0.0775 0.0149 -0.0010 37 PRO A CD 1769 N N . SER B 23 ? 0.4428 0.4011 0.4090 0.0903 0.0194 0.0000 38 SER A N 1770 C CA . SER B 23 ? 0.4958 0.4409 0.4457 0.0982 0.0218 -0.0003 38 SER A CA 1771 C C . SER B 23 ? 0.5089 0.4523 0.4599 0.0947 0.0227 -0.0016 38 SER A C 1772 O O . SER B 23 ? 0.4652 0.4222 0.4313 0.0884 0.0215 -0.0012 38 SER A O 1773 C CB . SER B 23 ? 0.4733 0.4298 0.4212 0.1104 0.0216 0.0030 38 SER A CB 1774 O OG . SER B 23 ? 0.4299 0.4084 0.3934 0.1101 0.0205 0.0054 38 SER A OG 1775 N N . PRO B 24 ? 0.5763 0.5025 0.5102 0.0994 0.0249 -0.0029 39 PRO A N 1776 C CA . PRO B 24 ? 0.5487 0.4729 0.4824 0.0965 0.0254 -0.0042 39 PRO A CA 1777 C C . PRO B 24 ? 0.5369 0.4814 0.4819 0.1012 0.0249 -0.0012 39 PRO A C 1778 O O . PRO B 24 ? 0.5107 0.4675 0.4580 0.1097 0.0250 0.0020 39 PRO A O 1779 C CB . PRO B 24 ? 0.6053 0.5056 0.5153 0.1022 0.0277 -0.0060 39 PRO A CB 1780 C CG . PRO B 24 ? 0.6416 0.5278 0.5403 0.1038 0.0286 -0.0066 39 PRO A CG 1781 C CD . PRO B 24 ? 0.6147 0.5207 0.5270 0.1074 0.0270 -0.0035 39 PRO A CD 1782 N N . GLU B 25 ? 0.5377 0.4867 0.4899 0.0954 0.0244 -0.0021 40 GLU A N 1783 C CA . GLU B 25 ? 0.5310 0.4964 0.4917 0.0995 0.0245 0.0005 40 GLU A CA 1784 C C . GLU B 25 ? 0.5542 0.5079 0.5038 0.1007 0.0256 -0.0012 40 GLU A C 1785 O O . GLU B 25 ? 0.5807 0.5256 0.5296 0.0923 0.0246 -0.0043 40 GLU A O 1786 C CB . GLU B 25 ? 0.5176 0.5013 0.4985 0.0915 0.0227 0.0017 40 GLU A CB 1787 C CG . GLU B 25 ? 0.4748 0.4716 0.4668 0.0905 0.0213 0.0038 40 GLU A CG 1788 C CD . GLU B 25 ? 0.4835 0.4972 0.4799 0.0990 0.0217 0.0079 40 GLU A CD 1789 O OE1 . GLU B 25 ? 0.4555 0.4782 0.4577 0.0995 0.0202 0.0094 40 GLU A OE1 1790 O OE2 . GLU B 25 ? 0.4582 0.4767 0.4525 0.1050 0.0234 0.0096 40 GLU A OE2 1791 N N . ASP B 26 ? 0.5905 0.5449 0.5316 0.1113 0.0275 0.0008 41 ASP A N 1792 C CA . ASP B 26 ? 0.6605 0.6035 0.5892 0.1141 0.0286 -0.0005 41 ASP A CA 1793 C C . ASP B 26 ? 0.6161 0.5689 0.5577 0.1061 0.0271 -0.0011 41 ASP A C 1794 O O . ASP B 26 ? 0.6615 0.6015 0.5951 0.1019 0.0263 -0.0042 41 ASP A O 1795 C CB . ASP B 26 ? 0.6711 0.6187 0.5919 0.1279 0.0314 0.0028 41 ASP A CB 1796 C CG . ASP B 26 ? 0.7502 0.6867 0.6552 0.1382 0.0332 0.0036 41 ASP A CG 1797 O OD1 . ASP B 26 ? 0.8114 0.7279 0.7040 0.1350 0.0329 0.0006 41 ASP A OD1 1798 O OD2 . ASP B 26 ? 0.7773 0.7253 0.6820 0.1497 0.0352 0.0075 41 ASP A OD2 1799 N N . LYS B 27 ? 0.5853 0.5600 0.5458 0.1040 0.0265 0.0018 42 LYS A N 1800 C CA . LYS B 27 ? 0.5936 0.5786 0.5663 0.0977 0.0254 0.0019 42 LYS A CA 1801 C C . LYS B 27 ? 0.5363 0.5355 0.5275 0.0892 0.0236 0.0027 42 LYS A C 1802 O O . LYS B 27 ? 0.5063 0.5191 0.5066 0.0910 0.0238 0.0057 42 LYS A O 1803 C CB . LYS B 27 ? 0.6400 0.6374 0.6147 0.1055 0.0275 0.0056 42 LYS A CB 1804 C CG . LYS B 27 ? 0.7413 0.7355 0.7133 0.1041 0.0274 0.0045 42 LYS A CG 1805 C CD . LYS B 27 ? 0.8525 0.8553 0.8392 0.0941 0.0253 0.0038 42 LYS A CD 1806 C CE . LYS B 27 ? 0.8759 0.8747 0.8581 0.0936 0.0249 0.0027 42 LYS A CE 1807 N NZ . LYS B 27 ? 0.8607 0.8713 0.8573 0.0868 0.0236 0.0035 42 LYS A NZ 1808 N N . LEU B 28 ? 0.4949 0.4908 0.4909 0.0802 0.0218 0.0001 43 LEU A N 1809 C CA . LEU B 28 ? 0.4277 0.4370 0.4402 0.0731 0.0204 0.0013 43 LEU A CA 1810 C C . LEU B 28 ? 0.4287 0.4410 0.4455 0.0696 0.0198 0.0007 43 LEU A C 1811 O O . LEU B 28 ? 0.4340 0.4359 0.4418 0.0694 0.0192 -0.0018 43 LEU A O 1812 C CB . LEU B 28 ? 0.3893 0.3937 0.4050 0.0662 0.0191 -0.0007 43 LEU A CB 1813 C CG . LEU B 28 ? 0.3807 0.3814 0.3919 0.0694 0.0195 -0.0003 43 LEU A CG 1814 C CD1 . LEU B 28 ? 0.3802 0.3737 0.3927 0.0624 0.0185 -0.0026 43 LEU A CD1 1815 C CD2 . LEU B 28 ? 0.3711 0.3880 0.3912 0.0731 0.0196 0.0035 43 LEU A CD2 1816 N N . TYR B 29 ? 0.3891 0.4151 0.4186 0.0667 0.0196 0.0032 44 TYR A N 1817 C CA . TYR B 29 ? 0.3956 0.4257 0.4292 0.0645 0.0193 0.0034 44 TYR A CA 1818 C C . TYR B 29 ? 0.4010 0.4269 0.4381 0.0569 0.0172 0.0005 44 TYR A C 1819 O O . TYR B 29 ? 0.3401 0.3675 0.3837 0.0520 0.0164 0.0002 44 TYR A O 1820 C CB . TYR B 29 ? 0.4164 0.4616 0.4607 0.0646 0.0205 0.0075 44 TYR A CB 1821 C CG . TYR B 29 ? 0.4609 0.5103 0.5075 0.0643 0.0210 0.0087 44 TYR A CG 1822 C CD1 . TYR B 29 ? 0.4959 0.5453 0.5358 0.0708 0.0228 0.0099 44 TYR A CD1 1823 C CD2 . TYR B 29 ? 0.4470 0.5001 0.5016 0.0583 0.0200 0.0089 44 TYR A CD2 1824 C CE1 . TYR B 29 ? 0.5066 0.5592 0.5477 0.0708 0.0234 0.0111 44 TYR A CE1 1825 C CE2 . TYR B 29 ? 0.5130 0.5690 0.5687 0.0585 0.0206 0.0101 44 TYR A CE2 1826 C CZ . TYR B 29 ? 0.5236 0.5795 0.5728 0.0645 0.0223 0.0112 44 TYR A CZ 1827 O OH . TYR B 29 ? 0.5467 0.6048 0.5963 0.0646 0.0229 0.0125 44 TYR A OH 1828 N N . GLU B 30 ? 0.3688 0.3896 0.4009 0.0566 0.0162 -0.0014 45 GLU A N 1829 C CA . GLU B 30 ? 0.3846 0.4045 0.4205 0.0507 0.0141 -0.0037 45 GLU A CA 1830 C C . GLU B 30 ? 0.3597 0.3768 0.3997 0.0446 0.0131 -0.0057 45 GLU A C 1831 O O . GLU B 30 ? 0.3463 0.3538 0.3792 0.0435 0.0128 -0.0081 45 GLU A O 1832 C CB . GLU B 30 ? 0.4223 0.4522 0.4661 0.0504 0.0142 -0.0012 45 GLU A CB 1833 C CG . GLU B 30 ? 0.4554 0.4859 0.4934 0.0559 0.0151 0.0000 45 GLU A CG 1834 C CD . GLU B 30 ? 0.5028 0.5262 0.5336 0.0552 0.0127 -0.0033 45 GLU A CD 1835 O OE1 . GLU B 30 ? 0.5563 0.5711 0.5757 0.0588 0.0125 -0.0049 45 GLU A OE1 1836 O OE2 . GLU B 30 ? 0.5353 0.5616 0.5714 0.0512 0.0108 -0.0044 45 GLU A OE2 1837 N N . GLU B 31 ? 0.3375 0.3619 0.3875 0.0409 0.0129 -0.0045 46 GLU A N 1838 C CA . GLU B 31 ? 0.3606 0.3832 0.4149 0.0355 0.0124 -0.0060 46 GLU A CA 1839 C C . GLU B 31 ? 0.3279 0.3450 0.3792 0.0354 0.0133 -0.0063 46 GLU A C 1840 O O . GLU B 31 ? 0.3116 0.3244 0.3635 0.0313 0.0131 -0.0081 46 GLU A O 1841 C CB . GLU B 31 ? 0.3439 0.3742 0.4078 0.0330 0.0124 -0.0042 46 GLU A CB 1842 C CG . GLU B 31 ? 0.3584 0.3932 0.4249 0.0331 0.0115 -0.0040 46 GLU A CG 1843 C CD . GLU B 31 ? 0.4009 0.4328 0.4646 0.0312 0.0096 -0.0073 46 GLU A CD 1844 O OE1 . GLU B 31 ? 0.4086 0.4374 0.4729 0.0273 0.0092 -0.0094 46 GLU A OE1 1845 O OE2 . GLU B 31 ? 0.4447 0.4774 0.5051 0.0334 0.0085 -0.0077 46 GLU A OE2 1846 N N . CYS B 32 ? 0.2954 0.3134 0.3437 0.0402 0.0143 -0.0044 47 CYS A N 1847 C CA . CYS B 32 ? 0.3173 0.3299 0.3617 0.0410 0.0150 -0.0046 47 CYS A CA 1848 C C . CYS B 32 ? 0.3613 0.3609 0.3929 0.0432 0.0154 -0.0070 47 CYS A C 1849 O O . CYS B 32 ? 0.3349 0.3274 0.3610 0.0441 0.0161 -0.0075 47 CYS A O 1850 C CB . CYS B 32 ? 0.3252 0.3463 0.3729 0.0451 0.0156 -0.0012 47 CYS A CB 1851 S SG . CYS B 32 ? 0.3232 0.3569 0.3838 0.0413 0.0152 0.0016 47 CYS A SG 1852 N N . ILE B 33 ? 0.3511 0.3459 0.3765 0.0437 0.0148 -0.0087 48 ILE A N 1853 C CA . ILE B 33 ? 0.3944 0.3749 0.4054 0.0458 0.0152 -0.0110 48 ILE A CA 1854 C C . ILE B 33 ? 0.3823 0.3516 0.3884 0.0410 0.0155 -0.0135 48 ILE A C 1855 O O . ILE B 33 ? 0.3836 0.3409 0.3775 0.0442 0.0167 -0.0142 48 ILE A O 1856 C CB . ILE B 33 ? 0.4278 0.4046 0.4329 0.0459 0.0140 -0.0128 48 ILE A CB 1857 C CG1 . ILE B 33 ? 0.4525 0.4358 0.4567 0.0535 0.0149 -0.0100 48 ILE A CG1 1858 C CG2 . ILE B 33 ? 0.4660 0.4253 0.4552 0.0453 0.0138 -0.0160 48 ILE A CG2 1859 C CD1 . ILE B 33 ? 0.4778 0.4595 0.4775 0.0540 0.0136 -0.0112 48 ILE A CD1 1860 N N . PRO B 34 ? 0.3584 0.3312 0.3731 0.0338 0.0148 -0.0146 49 PRO A N 1861 C CA . PRO B 34 ? 0.3517 0.3140 0.3616 0.0289 0.0157 -0.0167 49 PRO A CA 1862 C C . PRO B 34 ? 0.3580 0.3133 0.3615 0.0328 0.0174 -0.0156 49 PRO A C 1863 O O . PRO B 34 ? 0.3753 0.3169 0.3685 0.0310 0.0186 -0.0174 49 PRO A O 1864 C CB . PRO B 34 ? 0.3369 0.3086 0.3598 0.0228 0.0153 -0.0167 49 PRO A CB 1865 C CG . PRO B 34 ? 0.3336 0.3157 0.3636 0.0228 0.0135 -0.0163 49 PRO A CG 1866 C CD . PRO B 34 ? 0.3407 0.3258 0.3682 0.0300 0.0136 -0.0141 49 PRO A CD 1867 N N . TRP B 35 ? 0.3312 0.2957 0.3402 0.0380 0.0175 -0.0127 50 TRP A N 1868 C CA . TRP B 35 ? 0.3532 0.3138 0.3579 0.0416 0.0186 -0.0115 50 TRP A CA 1869 C C . TRP B 35 ? 0.3852 0.3386 0.3772 0.0500 0.0195 -0.0107 50 TRP A C 1870 O O . TRP B 35 ? 0.3712 0.3218 0.3586 0.0544 0.0202 -0.0096 50 TRP A O 1871 C CB . TRP B 35 ? 0.3204 0.2950 0.3375 0.0418 0.0178 -0.0088 50 TRP A CB 1872 C CG . TRP B 35 ? 0.3050 0.2819 0.3306 0.0345 0.0176 -0.0096 50 TRP A CG 1873 C CD1 . TRP B 35 ? 0.3033 0.2733 0.3269 0.0315 0.0185 -0.0105 50 TRP A CD1 1874 C CD2 . TRP B 35 ? 0.2693 0.2548 0.3050 0.0302 0.0168 -0.0096 50 TRP A CD2 1875 N NE1 . TRP B 35 ? 0.2971 0.2717 0.3294 0.0257 0.0185 -0.0110 50 TRP A NE1 1876 C CE2 . TRP B 35 ? 0.2835 0.2678 0.3233 0.0251 0.0174 -0.0104 50 TRP A CE2 1877 C CE3 . TRP B 35 ? 0.2560 0.2500 0.2969 0.0309 0.0158 -0.0089 50 TRP A CE3 1878 C CZ2 . TRP B 35 ? 0.2586 0.2499 0.3073 0.0211 0.0170 -0.0105 50 TRP A CZ2 1879 C CZ3 . TRP B 35 ? 0.2621 0.2627 0.3117 0.0267 0.0153 -0.0090 50 TRP A CZ3 1880 C CH2 . TRP B 35 ? 0.2623 0.2617 0.3157 0.0221 0.0158 -0.0098 50 TRP A CH2 1881 N N . LYS B 36 ? 0.4344 0.3842 0.4197 0.0529 0.0195 -0.0113 51 LYS A N 1882 C CA . LYS B 36 ? 0.4765 0.4229 0.4512 0.0627 0.0206 -0.0098 51 LYS A CA 1883 C C . LYS B 36 ? 0.4801 0.4080 0.4376 0.0664 0.0223 -0.0110 51 LYS A C 1884 O O . LYS B 36 ? 0.4492 0.3773 0.4006 0.0752 0.0232 -0.0089 51 LYS A O 1885 C CB . LYS B 36 ? 0.5504 0.4986 0.5222 0.0661 0.0205 -0.0096 51 LYS A CB 1886 C CG . LYS B 36 ? 0.6380 0.5681 0.5933 0.0660 0.0208 -0.0126 51 LYS A CG 1887 C CD . LYS B 36 ? 0.7032 0.6389 0.6594 0.0683 0.0202 -0.0122 51 LYS A CD 1888 C CE . LYS B 36 ? 0.7905 0.7095 0.7267 0.0747 0.0213 -0.0134 51 LYS A CE 1889 N NZ . LYS B 36 ? 0.8603 0.7813 0.7958 0.0745 0.0201 -0.0141 51 LYS A NZ 1890 N N . ASP B 37 ? 0.4713 0.3841 0.4212 0.0596 0.0227 -0.0140 52 ASP A N 1891 C CA . ASP B 37 ? 0.5386 0.4328 0.4723 0.0620 0.0246 -0.0150 52 ASP A CA 1892 C C . ASP B 37 ? 0.5155 0.4152 0.4527 0.0663 0.0249 -0.0127 52 ASP A C 1893 O O . ASP B 37 ? 0.5179 0.4060 0.4411 0.0732 0.0264 -0.0122 52 ASP A O 1894 C CB . ASP B 37 ? 0.6194 0.5001 0.5487 0.0518 0.0252 -0.0182 52 ASP A CB 1895 C CG . ASP B 37 ? 0.7157 0.5846 0.6353 0.0473 0.0248 -0.0212 52 ASP A CG 1896 O OD1 . ASP B 37 ? 0.7678 0.6344 0.6799 0.0532 0.0244 -0.0210 52 ASP A OD1 1897 O OD2 . ASP B 37 ? 0.8445 0.7065 0.7636 0.0375 0.0250 -0.0237 52 ASP A OD2 1898 N N . ASN B 38 ? 0.4603 0.3763 0.4147 0.0622 0.0235 -0.0114 53 ASN A N 1899 C CA . ASN B 38 ? 0.4543 0.3753 0.4119 0.0652 0.0232 -0.0095 53 ASN A CA 1900 C C . ASN B 38 ? 0.4316 0.3725 0.4084 0.0613 0.0212 -0.0078 53 ASN A C 1901 O O . ASN B 38 ? 0.3998 0.3416 0.3840 0.0535 0.0209 -0.0089 53 ASN A O 1902 C CB . ASN B 38 ? 0.4830 0.3877 0.4317 0.0609 0.0248 -0.0115 53 ASN A CB 1903 C CG . ASN B 38 ? 0.4775 0.3825 0.4240 0.0657 0.0246 -0.0098 53 ASN A CG 1904 O OD1 . ASN B 38 ? 0.5168 0.4291 0.4622 0.0743 0.0237 -0.0075 53 ASN A OD1 1905 N ND2 . ASN B 38 ? 0.5285 0.4263 0.4743 0.0601 0.0255 -0.0109 53 ASN A ND2 1906 N N . ALA B 39 ? 0.4104 0.3666 0.3943 0.0669 0.0199 -0.0050 54 ALA A N 1907 C CA . ALA B 39 ? 0.3865 0.3607 0.3872 0.0629 0.0181 -0.0033 54 ALA A CA 1908 C C . ALA B 39 ? 0.3915 0.3777 0.3985 0.0658 0.0165 -0.0006 54 ALA A C 1909 O O . ALA B 39 ? 0.3662 0.3540 0.3673 0.0738 0.0165 0.0009 54 ALA A O 1910 C CB . ALA B 39 ? 0.3877 0.3711 0.3930 0.0647 0.0182 -0.0022 54 ALA A CB 1911 N N . CYS B 40 ? 0.3605 0.3556 0.3793 0.0594 0.0149 -0.0001 55 CYS A N 1912 C CA . CYS B 40 ? 0.3520 0.3608 0.3788 0.0602 0.0126 0.0023 55 CYS A CA 1913 C C . CYS B 40 ? 0.3257 0.3520 0.3636 0.0602 0.0118 0.0049 55 CYS A C 1914 O O . CYS B 40 ? 0.3291 0.3683 0.3745 0.0596 0.0098 0.0072 55 CYS A O 1915 C CB . CYS B 40 ? 0.3603 0.3667 0.3914 0.0532 0.0114 0.0014 55 CYS A CB 1916 S SG . CYS B 40 ? 0.3893 0.3783 0.4082 0.0539 0.0122 -0.0006 55 CYS A SG 1917 N N . CYS B 41 ? 0.3230 0.3494 0.3613 0.0604 0.0133 0.0047 56 CYS A N 1918 C CA . CYS B 41 ? 0.3265 0.3677 0.3742 0.0602 0.0133 0.0072 56 CYS A CA 1919 C C . CYS B 41 ? 0.3583 0.4018 0.4002 0.0687 0.0150 0.0085 56 CYS A C 1920 O O . CYS B 41 ? 0.3879 0.4179 0.4181 0.0725 0.0165 0.0065 56 CYS A O 1921 C CB . CYS B 41 ? 0.3387 0.3784 0.3915 0.0536 0.0137 0.0060 56 CYS A CB 1922 S SG . CYS B 41 ? 0.3370 0.3614 0.3802 0.0540 0.0153 0.0027 56 CYS A SG 1923 N N . THR B 42 ? 0.3675 0.4277 0.4169 0.0716 0.0151 0.0119 57 THR A N 1924 C CA . THR B 42 ? 0.3631 0.4282 0.4085 0.0800 0.0172 0.0139 57 THR A CA 1925 C C . THR B 42 ? 0.3783 0.4429 0.4255 0.0777 0.0187 0.0136 57 THR A C 1926 O O . THR B 42 ? 0.3142 0.3783 0.3679 0.0697 0.0178 0.0127 57 THR A O 1927 C CB . THR B 42 ? 0.3501 0.4363 0.4047 0.0833 0.0169 0.0182 57 THR A CB 1928 O OG1 . THR B 42 ? 0.2959 0.3934 0.3634 0.0751 0.0161 0.0196 57 THR A OG1 1929 C CG2 . THR B 42 ? 0.3466 0.4371 0.4009 0.0859 0.0148 0.0188 57 THR A CG2 1930 N N . LEU B 43 ? 0.4176 0.4825 0.4585 0.0853 0.0209 0.0148 58 LEU A N 1931 C CA . LEU B 43 ? 0.4134 0.4781 0.4547 0.0845 0.0224 0.0148 58 LEU A CA 1932 C C . LEU B 43 ? 0.3680 0.4486 0.4235 0.0788 0.0221 0.0176 58 LEU A C 1933 O O . LEU B 43 ? 0.3783 0.4563 0.4371 0.0731 0.0219 0.0166 58 LEU A O 1934 C CB . LEU B 43 ? 0.4547 0.5180 0.4860 0.0949 0.0251 0.0162 58 LEU A CB 1935 C CG . LEU B 43 ? 0.4442 0.5086 0.4745 0.0962 0.0270 0.0170 58 LEU A CG 1936 C CD1 . LEU B 43 ? 0.4465 0.4965 0.4723 0.0901 0.0257 0.0130 58 LEU A CD1 1937 C CD2 . LEU B 43 ? 0.4674 0.5288 0.4855 0.1079 0.0298 0.0183 58 LEU A CD2 1938 N N . THR B 44 ? 0.3580 0.4550 0.4220 0.0799 0.0220 0.0211 59 THR A N 1939 C CA . THR B 44 ? 0.3649 0.4765 0.4416 0.0736 0.0219 0.0239 59 THR A CA 1940 C C . THR B 44 ? 0.3669 0.4728 0.4485 0.0634 0.0196 0.0219 59 THR A C 1941 O O . THR B 44 ? 0.3315 0.4386 0.4175 0.0583 0.0202 0.0225 59 THR A O 1942 C CB . THR B 44 ? 0.4136 0.5443 0.4988 0.0752 0.0216 0.0278 59 THR A CB 1943 O OG1 . THR B 44 ? 0.4308 0.5683 0.5117 0.0858 0.0243 0.0302 59 THR A OG1 1944 C CG2 . THR B 44 ? 0.4064 0.5510 0.5038 0.0674 0.0216 0.0307 59 THR A CG2 1945 N N . THR B 45 ? 0.3560 0.4552 0.4359 0.0609 0.0173 0.0198 60 THR A N 1946 C CA . THR B 45 ? 0.3298 0.4226 0.4130 0.0523 0.0155 0.0178 60 THR A CA 1947 C C . THR B 45 ? 0.3070 0.3879 0.3860 0.0505 0.0164 0.0153 60 THR A C 1948 O O . THR B 45 ? 0.2761 0.3571 0.3595 0.0449 0.0162 0.0154 60 THR A O 1949 C CB . THR B 45 ? 0.3339 0.4198 0.4140 0.0511 0.0133 0.0158 60 THR A CB 1950 O OG1 . THR B 45 ? 0.3320 0.4308 0.4170 0.0521 0.0118 0.0184 60 THR A OG1 1951 C CG2 . THR B 45 ? 0.3163 0.3937 0.3981 0.0432 0.0119 0.0137 60 THR A CG2 1952 N N . SER B 46 ? 0.3346 0.4055 0.4044 0.0554 0.0172 0.0130 61 SER A N 1953 C CA . SER B 46 ? 0.3623 0.4228 0.4281 0.0534 0.0174 0.0103 61 SER A CA 1954 C C . SER B 46 ? 0.3857 0.4525 0.4555 0.0528 0.0186 0.0121 61 SER A C 1955 O O . SER B 46 ? 0.3999 0.4634 0.4718 0.0482 0.0180 0.0109 61 SER A O 1956 C CB . SER B 46 ? 0.3708 0.4189 0.4248 0.0581 0.0180 0.0076 61 SER A CB 1957 O OG . SER B 46 ? 0.3681 0.4189 0.4171 0.0652 0.0197 0.0092 61 SER A OG 1958 N N . TRP B 47 ? 0.4023 0.4785 0.4730 0.0575 0.0204 0.0152 62 TRP A N 1959 C CA . TRP B 47 ? 0.4171 0.4982 0.4909 0.0566 0.0218 0.0170 62 TRP A CA 1960 C C . TRP B 47 ? 0.3589 0.4481 0.4421 0.0499 0.0215 0.0194 62 TRP A C 1961 O O . TRP B 47 ? 0.3428 0.4297 0.4273 0.0465 0.0217 0.0194 62 TRP A O 1962 C CB . TRP B 47 ? 0.4747 0.5605 0.5443 0.0642 0.0244 0.0193 62 TRP A CB 1963 C CG . TRP B 47 ? 0.5257 0.6252 0.5996 0.0680 0.0262 0.0231 62 TRP A CG 1964 C CD1 . TRP B 47 ? 0.6231 0.7245 0.6925 0.0750 0.0268 0.0237 62 TRP A CD1 1965 C CD2 . TRP B 47 ? 0.5778 0.6922 0.6611 0.0654 0.0278 0.0274 62 TRP A CD2 1966 N NE1 . TRP B 47 ? 0.6732 0.7918 0.7499 0.0774 0.0286 0.0281 62 TRP A NE1 1967 C CE2 . TRP B 47 ? 0.6943 0.8214 0.7800 0.0709 0.0292 0.0304 62 TRP A CE2 1968 C CE3 . TRP B 47 ? 0.5887 0.7067 0.6780 0.0590 0.0284 0.0290 62 TRP A CE3 1969 C CZ2 . TRP B 47 ? 0.6990 0.8442 0.7945 0.0692 0.0310 0.0351 62 TRP A CZ2 1970 C CZ3 . TRP B 47 ? 0.6591 0.7925 0.7566 0.0570 0.0303 0.0336 62 TRP A CZ3 1971 C CH2 . TRP B 47 ? 0.6818 0.8295 0.7831 0.0616 0.0316 0.0366 62 TRP A CH2 1972 N N . GLU B 48 ? 0.3227 0.4197 0.4116 0.0476 0.0207 0.0210 63 GLU A N 1973 C CA . GLU B 48 ? 0.3178 0.4197 0.4139 0.0401 0.0199 0.0227 63 GLU A CA 1974 C C . GLU B 48 ? 0.3132 0.4038 0.4079 0.0348 0.0184 0.0200 63 GLU A C 1975 O O . GLU B 48 ? 0.3241 0.4146 0.4216 0.0296 0.0185 0.0212 63 GLU A O 1976 C CB . GLU B 48 ? 0.3551 0.4670 0.4565 0.0384 0.0185 0.0245 63 GLU A CB 1977 C CG . GLU B 48 ? 0.3815 0.5091 0.4871 0.0425 0.0205 0.0284 63 GLU A CG 1978 C CD . GLU B 48 ? 0.4338 0.5741 0.5453 0.0414 0.0187 0.0304 63 GLU A CD 1979 O OE1 . GLU B 48 ? 0.4859 0.6209 0.5964 0.0390 0.0159 0.0283 63 GLU A OE1 1980 O OE2 . GLU B 48 ? 0.5141 0.6703 0.6314 0.0431 0.0203 0.0342 63 GLU A OE2 1981 N N . ALA B 49 ? 0.3034 0.3839 0.3932 0.0362 0.0172 0.0165 64 ALA A N 1982 C CA . ALA B 49 ? 0.2735 0.3442 0.3620 0.0322 0.0162 0.0139 64 ALA A CA 1983 C C . ALA B 49 ? 0.2935 0.3613 0.3808 0.0321 0.0170 0.0136 64 ALA A C 1984 O O . ALA B 49 ? 0.2891 0.3519 0.3769 0.0286 0.0165 0.0127 64 ALA A O 1985 C CB . ALA B 49 ? 0.2812 0.3429 0.3647 0.0338 0.0152 0.0105 64 ALA A CB 1986 N N . HIS B 50 ? 0.2817 0.3519 0.3665 0.0367 0.0183 0.0143 65 HIS A N 1987 C CA . HIS B 50 ? 0.2943 0.3620 0.3770 0.0376 0.0189 0.0140 65 HIS A CA 1988 C C . HIS B 50 ? 0.3195 0.3931 0.4048 0.0367 0.0207 0.0176 65 HIS A C 1989 O O . HIS B 50 ? 0.3273 0.3985 0.4099 0.0381 0.0213 0.0176 65 HIS A O 1990 C CB . HIS B 50 ? 0.3079 0.3729 0.3844 0.0431 0.0191 0.0125 65 HIS A CB 1991 C CG . HIS B 50 ? 0.3228 0.3795 0.3949 0.0432 0.0174 0.0086 65 HIS A CG 1992 N ND1 . HIS B 50 ? 0.3263 0.3810 0.3972 0.0435 0.0171 0.0078 65 HIS A ND1 1993 C CD2 . HIS B 50 ? 0.3730 0.4230 0.4413 0.0427 0.0161 0.0055 65 HIS A CD2 1994 C CE1 . HIS B 50 ? 0.3656 0.4115 0.4316 0.0429 0.0160 0.0043 65 HIS A CE1 1995 N NE2 . HIS B 50 ? 0.3757 0.4194 0.4407 0.0421 0.0152 0.0029 65 HIS A NE2 1996 N N . LEU B 51 ? 0.3635 0.4450 0.4534 0.0344 0.0217 0.0207 66 LEU A N 1997 C CA . LEU B 51 ? 0.3645 0.4514 0.4565 0.0325 0.0239 0.0243 66 LEU A CA 1998 C C . LEU B 51 ? 0.4028 0.4823 0.4937 0.0280 0.0236 0.0242 66 LEU A C 1999 O O . LEU B 51 ? 0.4153 0.4887 0.5061 0.0249 0.0217 0.0221 66 LEU A O 2000 C CB . LEU B 51 ? 0.3785 0.4767 0.4765 0.0297 0.0246 0.0277 66 LEU A CB 2001 C CG . LEU B 51 ? 0.3948 0.5026 0.4935 0.0359 0.0262 0.0292 66 LEU A CG 2002 C CD1 . LEU B 51 ? 0.4105 0.5312 0.5161 0.0337 0.0261 0.0319 66 LEU A CD1 2003 C CD2 . LEU B 51 ? 0.4024 0.5131 0.4989 0.0393 0.0295 0.0318 66 LEU A CD2 2004 N N . ASP B 52 ? 0.4012 0.4806 0.4901 0.0283 0.0257 0.0264 67 ASP A N 2005 C CA . ASP B 52 ? 0.4390 0.5100 0.5247 0.0254 0.0257 0.0264 67 ASP A CA 2006 C C . ASP B 52 ? 0.4121 0.4799 0.4996 0.0187 0.0247 0.0268 67 ASP A C 2007 O O . ASP B 52 ? 0.4568 0.5159 0.5413 0.0177 0.0236 0.0250 67 ASP A O 2008 C CB . ASP B 52 ? 0.4815 0.5525 0.5640 0.0262 0.0287 0.0296 67 ASP A CB 2009 C CG . ASP B 52 ? 0.4780 0.5578 0.5645 0.0223 0.0311 0.0337 67 ASP A CG 2010 O OD1 . ASP B 52 ? 0.4914 0.5805 0.5834 0.0217 0.0307 0.0343 67 ASP A OD1 2011 O OD2 . ASP B 52 ? 0.5394 0.6167 0.6230 0.0197 0.0336 0.0366 67 ASP A OD2 2012 N N . VAL B 53 ? 0.4022 0.4775 0.4941 0.0145 0.0251 0.0291 68 VAL A N 2013 C CA . VAL B 53 ? 0.4366 0.5099 0.5302 0.0082 0.0232 0.0289 68 VAL A CA 2014 C C . VAL B 53 ? 0.4038 0.4874 0.5031 0.0089 0.0217 0.0286 68 VAL A C 2015 O O . VAL B 53 ? 0.3723 0.4676 0.4761 0.0087 0.0229 0.0314 68 VAL A O 2016 C CB . VAL B 53 ? 0.4460 0.5181 0.5386 0.0010 0.0245 0.0321 68 VAL A CB 2017 C CG1 . VAL B 53 ? 0.4309 0.5005 0.5243 -0.0055 0.0220 0.0315 68 VAL A CG1 2018 C CG2 . VAL B 53 ? 0.4639 0.5239 0.5488 0.0014 0.0262 0.0325 68 VAL A CG2 2019 N N . SER B 54 ? 0.4032 0.4826 0.5019 0.0104 0.0194 0.0254 69 SER A N 2020 C CA . SER B 54 ? 0.3912 0.4782 0.4932 0.0127 0.0181 0.0249 69 SER A CA 2021 C C . SER B 54 ? 0.3974 0.4926 0.5041 0.0071 0.0168 0.0271 69 SER A C 2022 O O . SER B 54 ? 0.3977 0.4866 0.5029 0.0012 0.0153 0.0267 69 SER A O 2023 C CB . SER B 54 ? 0.3799 0.4586 0.4790 0.0147 0.0162 0.0211 69 SER A CB 2024 O OG . SER B 54 ? 0.3570 0.4417 0.4577 0.0177 0.0151 0.0206 69 SER A OG 2025 N N . PRO B 55 ? 0.4163 0.5257 0.5282 0.0091 0.0173 0.0295 70 PRO A N 2026 C CA . PRO B 55 ? 0.4351 0.5551 0.5526 0.0038 0.0155 0.0315 70 PRO A CA 2027 C C . PRO B 55 ? 0.4229 0.5402 0.5394 0.0041 0.0120 0.0289 70 PRO A C 2028 O O . PRO B 55 ? 0.4229 0.5480 0.5432 -0.0002 0.0096 0.0301 70 PRO A O 2029 C CB . PRO B 55 ? 0.4373 0.5746 0.5606 0.0080 0.0175 0.0347 70 PRO A CB 2030 C CG . PRO B 55 ? 0.4269 0.5602 0.5458 0.0173 0.0194 0.0332 70 PRO A CG 2031 C CD . PRO B 55 ? 0.4413 0.5576 0.5535 0.0171 0.0193 0.0300 70 PRO A CD 2032 N N . LEU B 56 ? 0.3922 0.4988 0.5035 0.0090 0.0117 0.0256 71 LEU A N 2033 C CA . LEU B 56 ? 0.4374 0.5390 0.5462 0.0093 0.0090 0.0232 71 LEU A CA 2034 C C . LEU B 56 ? 0.4553 0.5496 0.5626 0.0015 0.0068 0.0226 71 LEU A C 2035 O O . LEU B 56 ? 0.4432 0.5393 0.5507 -0.0005 0.0039 0.0222 71 LEU A O 2036 C CB . LEU B 56 ? 0.4031 0.4932 0.5061 0.0149 0.0097 0.0198 71 LEU A CB 2037 C CG . LEU B 56 ? 0.3920 0.4861 0.4938 0.0228 0.0115 0.0198 71 LEU A CG 2038 C CD1 . LEU B 56 ? 0.4141 0.4952 0.5094 0.0260 0.0120 0.0162 71 LEU A CD1 2039 C CD2 . LEU B 56 ? 0.4263 0.5310 0.5298 0.0272 0.0107 0.0211 71 LEU A CD2 2040 N N . TYR B 57 ? 0.4676 0.5524 0.5718 -0.0022 0.0080 0.0225 72 TYR A N 2041 C CA . TYR B 57 ? 0.4800 0.5556 0.5805 -0.0093 0.0063 0.0221 72 TYR A CA 2042 C C . TYR B 57 ? 0.4461 0.5209 0.5462 -0.0156 0.0076 0.0247 72 TYR A C 2043 O O . TYR B 57 ? 0.4157 0.4816 0.5111 -0.0219 0.0062 0.0246 72 TYR A O 2044 C CB . TYR B 57 ? 0.4534 0.5133 0.5471 -0.0073 0.0066 0.0190 72 TYR A CB 2045 C CG . TYR B 57 ? 0.4730 0.5319 0.5662 -0.0006 0.0068 0.0165 72 TYR A CG 2046 C CD1 . TYR B 57 ? 0.4616 0.5233 0.5549 0.0009 0.0047 0.0156 72 TYR A CD1 2047 C CD2 . TYR B 57 ? 0.4590 0.5139 0.5509 0.0040 0.0091 0.0151 72 TYR A CD2 2048 C CE1 . TYR B 57 ? 0.4316 0.4906 0.5228 0.0068 0.0053 0.0135 72 TYR A CE1 2049 C CE2 . TYR B 57 ? 0.4169 0.4699 0.5075 0.0091 0.0093 0.0129 72 TYR A CE2 2050 C CZ . TYR B 57 ? 0.4380 0.4922 0.5278 0.0104 0.0077 0.0121 72 TYR A CZ 2051 O OH . TYR B 57 ? 0.4166 0.4668 0.5033 0.0150 0.0083 0.0099 72 TYR A OH 2052 N N . ASN B 58 ? 0.4408 0.5236 0.5445 -0.0140 0.0102 0.0270 73 ASN A N 2053 C CA . ASN B 58 ? 0.4868 0.5673 0.5888 -0.0194 0.0122 0.0296 73 ASN A CA 2054 C C . ASN B 58 ? 0.4881 0.5502 0.5809 -0.0208 0.0131 0.0283 73 ASN A C 2055 O O . ASN B 58 ? 0.4946 0.5498 0.5829 -0.0274 0.0136 0.0299 73 ASN A O 2056 C CB . ASN B 58 ? 0.5050 0.5942 0.6108 -0.0284 0.0106 0.0323 73 ASN A CB 2057 C CG . ASN B 58 ? 0.5350 0.6454 0.6508 -0.0266 0.0105 0.0347 73 ASN A CG 2058 O OD1 . ASN B 58 ? 0.5316 0.6496 0.6506 -0.0201 0.0133 0.0357 73 ASN A OD1 2059 N ND2 . ASN B 58 ? 0.5875 0.7079 0.7079 -0.0322 0.0073 0.0356 73 ASN A ND2 2060 N N . PHE B 59 ? 0.4689 0.5230 0.5585 -0.0146 0.0134 0.0254 74 PHE A N 2061 C CA . PHE B 59 ? 0.4631 0.5016 0.5446 -0.0141 0.0143 0.0241 74 PHE A CA 2062 C C . PHE B 59 ? 0.4638 0.5011 0.5442 -0.0081 0.0169 0.0241 74 PHE A C 2063 O O . PHE B 59 ? 0.4573 0.4995 0.5409 -0.0022 0.0170 0.0225 74 PHE A O 2064 C CB . PHE B 59 ? 0.4630 0.4942 0.5419 -0.0118 0.0126 0.0209 74 PHE A CB 2065 C CG . PHE B 59 ? 0.4609 0.4775 0.5317 -0.0105 0.0138 0.0198 74 PHE A CG 2066 C CD1 . PHE B 59 ? 0.4912 0.4958 0.5540 -0.0157 0.0133 0.0203 74 PHE A CD1 2067 C CD2 . PHE B 59 ? 0.4626 0.4775 0.5331 -0.0041 0.0154 0.0184 74 PHE A CD2 2068 C CE1 . PHE B 59 ? 0.4953 0.4860 0.5495 -0.0133 0.0149 0.0196 74 PHE A CE1 2069 C CE2 . PHE B 59 ? 0.4762 0.4795 0.5397 -0.0020 0.0167 0.0178 74 PHE A CE2 2070 C CZ . PHE B 59 ? 0.4970 0.4879 0.5520 -0.0061 0.0167 0.0185 74 PHE A CZ 2071 N N . SER B 60 ? 0.4014 0.4307 0.4758 -0.0095 0.0189 0.0258 75 SER A N 2072 C CA . SER B 60 ? 0.3680 0.3967 0.4408 -0.0037 0.0211 0.0260 75 SER A CA 2073 C C . SER B 60 ? 0.3574 0.3761 0.4250 0.0007 0.0211 0.0237 75 SER A C 2074 O O . SER B 60 ? 0.3797 0.3864 0.4399 -0.0011 0.0214 0.0238 75 SER A O 2075 C CB . SER B 60 ? 0.3877 0.4132 0.4561 -0.0065 0.0236 0.0293 75 SER A CB 2076 O OG . SER B 60 ? 0.4073 0.4317 0.4734 0.0000 0.0253 0.0293 75 SER A OG 2077 N N . LEU B 61 ? 0.3627 0.3862 0.4336 0.0069 0.0209 0.0218 76 LEU A N 2078 C CA . LEU B 61 ? 0.3676 0.3853 0.4352 0.0119 0.0211 0.0199 76 LEU A CA 2079 C C . LEU B 61 ? 0.3696 0.3824 0.4312 0.0151 0.0230 0.0216 76 LEU A C 2080 O O . LEU B 61 ? 0.3753 0.3830 0.4332 0.0193 0.0233 0.0206 76 LEU A O 2081 C CB . LEU B 61 ? 0.3978 0.4236 0.4711 0.0162 0.0200 0.0173 76 LEU A CB 2082 C CG . LEU B 61 ? 0.4214 0.4509 0.4992 0.0143 0.0184 0.0155 76 LEU A CG 2083 C CD1 . LEU B 61 ? 0.4222 0.4588 0.5040 0.0180 0.0177 0.0135 76 LEU A CD1 2084 C CD2 . LEU B 61 ? 0.4349 0.4569 0.5103 0.0133 0.0180 0.0140 76 LEU A CD2 2085 N N . PHE B 62 ? 0.4113 0.4260 0.4718 0.0136 0.0245 0.0242 77 PHE A N 2086 C CA . PHE B 62 ? 0.4120 0.4210 0.4655 0.0167 0.0265 0.0262 77 PHE A CA 2087 C C . PHE B 62 ? 0.4457 0.4415 0.4897 0.0126 0.0283 0.0285 77 PHE A C 2088 O O . PHE B 62 ? 0.4424 0.4323 0.4793 0.0142 0.0306 0.0308 77 PHE A O 2089 C CB . PHE B 62 ? 0.4063 0.4235 0.4624 0.0177 0.0278 0.0280 77 PHE A CB 2090 C CG . PHE B 62 ? 0.3712 0.3980 0.4330 0.0229 0.0263 0.0258 77 PHE A CG 2091 C CD1 . PHE B 62 ? 0.3689 0.3949 0.4283 0.0293 0.0256 0.0242 77 PHE A CD1 2092 C CD2 . PHE B 62 ? 0.3583 0.3947 0.4270 0.0215 0.0255 0.0253 77 PHE A CD2 2093 C CE1 . PHE B 62 ? 0.3541 0.3877 0.4175 0.0330 0.0239 0.0219 77 PHE A CE1 2094 C CE2 . PHE B 62 ? 0.3557 0.3985 0.4275 0.0262 0.0243 0.0232 77 PHE A CE2 2095 C CZ . PHE B 62 ? 0.3368 0.3778 0.4058 0.0314 0.0234 0.0214 77 PHE A CZ 2096 N N . HIS B 63 ? 0.4257 0.4153 0.4679 0.0076 0.0274 0.0280 78 HIS A N 2097 C CA . HIS B 63 ? 0.4247 0.3991 0.4559 0.0029 0.0288 0.0299 78 HIS A CA 2098 C C . HIS B 63 ? 0.4492 0.4101 0.4682 0.0085 0.0310 0.0308 78 HIS A C 2099 O O . HIS B 63 ? 0.4507 0.3986 0.4589 0.0051 0.0330 0.0332 78 HIS A O 2100 C CB . HIS B 63 ? 0.4123 0.3810 0.4422 -0.0017 0.0269 0.0283 78 HIS A CB 2101 C CG . HIS B 63 ? 0.4014 0.3713 0.4340 0.0039 0.0256 0.0253 78 HIS A CG 2102 N ND1 . HIS B 63 ? 0.3901 0.3719 0.4331 0.0042 0.0235 0.0231 78 HIS A ND1 2103 C CD2 . HIS B 63 ? 0.4103 0.3713 0.4362 0.0096 0.0265 0.0243 78 HIS A CD2 2104 C CE1 . HIS B 63 ? 0.4076 0.3875 0.4505 0.0090 0.0233 0.0209 78 HIS A CE1 2105 N NE2 . HIS B 63 ? 0.3961 0.3645 0.4294 0.0124 0.0250 0.0216 78 HIS A NE2 2106 N N . CYS B 64 ? 0.4520 0.4161 0.4724 0.0170 0.0306 0.0291 79 CYS A N 2107 C CA . CYS B 64 ? 0.4653 0.4200 0.4755 0.0242 0.0325 0.0301 79 CYS A CA 2108 C C . CYS B 64 ? 0.4847 0.4480 0.4976 0.0304 0.0328 0.0305 79 CYS A C 2109 O O . CYS B 64 ? 0.5087 0.4680 0.5152 0.0379 0.0335 0.0308 79 CYS A O 2110 C CB . CYS B 64 ? 0.5022 0.4532 0.5101 0.0300 0.0319 0.0281 79 CYS A CB 2111 S SG . CYS B 64 ? 0.4978 0.4299 0.4936 0.0262 0.0329 0.0284 79 CYS A SG 2112 N N . GLY B 65 ? 0.4794 0.4547 0.5011 0.0279 0.0321 0.0306 80 GLY A N 2113 C CA . GLY B 65 ? 0.4719 0.4533 0.4939 0.0331 0.0327 0.0314 80 GLY A CA 2114 C C . GLY B 65 ? 0.4543 0.4457 0.4823 0.0402 0.0302 0.0285 80 GLY A C 2115 O O . GLY B 65 ? 0.4725 0.4740 0.5065 0.0415 0.0291 0.0277 80 GLY A O 2116 N N . LEU B 66 ? 0.4528 0.4414 0.4788 0.0446 0.0293 0.0270 81 LEU A N 2117 C CA . LEU B 66 ? 0.4542 0.4528 0.4854 0.0510 0.0268 0.0245 81 LEU A CA 2118 C C . LEU B 66 ? 0.4426 0.4497 0.4842 0.0481 0.0246 0.0214 81 LEU A C 2119 O O . LEU B 66 ? 0.4242 0.4282 0.4658 0.0479 0.0247 0.0206 81 LEU A O 2120 C CB . LEU B 66 ? 0.4646 0.4570 0.4878 0.0583 0.0275 0.0251 81 LEU A CB 2121 C CG . LEU B 66 ? 0.5086 0.5109 0.5343 0.0661 0.0252 0.0236 81 LEU A CG 2122 C CD1 . LEU B 66 ? 0.5003 0.5175 0.5384 0.0644 0.0218 0.0203 81 LEU A CD1 2123 C CD2 . LEU B 66 ? 0.5425 0.5415 0.5602 0.0705 0.0260 0.0257 81 LEU A CD2 2124 N N . LEU B 67 ? 0.4084 0.4251 0.4577 0.0460 0.0230 0.0199 82 LEU A N 2125 C CA . LEU B 67 ? 0.3942 0.4178 0.4520 0.0433 0.0211 0.0170 82 LEU A CA 2126 C C . LEU B 67 ? 0.3805 0.4137 0.4426 0.0461 0.0188 0.0150 82 LEU A C 2127 O O . LEU B 67 ? 0.4075 0.4429 0.4692 0.0460 0.0188 0.0156 82 LEU A O 2128 C CB . LEU B 67 ? 0.4088 0.4319 0.4696 0.0368 0.0216 0.0175 82 LEU A CB 2129 C CG . LEU B 67 ? 0.4094 0.4381 0.4775 0.0341 0.0199 0.0148 82 LEU A CG 2130 C CD1 . LEU B 67 ? 0.4090 0.4334 0.4770 0.0332 0.0201 0.0138 82 LEU A CD1 2131 C CD2 . LEU B 67 ? 0.4034 0.4341 0.4742 0.0295 0.0202 0.0157 82 LEU A CD2 2132 N N . MET B 68 ? 0.3793 0.4181 0.4450 0.0486 0.0170 0.0126 83 MET A N 2133 C CA . MET B 68 ? 0.3763 0.4235 0.4450 0.0507 0.0142 0.0103 83 MET A CA 2134 C C . MET B 68 ? 0.3553 0.4056 0.4287 0.0464 0.0132 0.0083 83 MET A C 2135 O O . MET B 68 ? 0.3407 0.3895 0.4172 0.0424 0.0138 0.0078 83 MET A O 2136 C CB . MET B 68 ? 0.3985 0.4524 0.4708 0.0535 0.0124 0.0084 83 MET A CB 2137 C CG . MET B 68 ? 0.4636 0.5155 0.5309 0.0596 0.0133 0.0103 83 MET A CG 2138 S SD . MET B 68 ? 0.5442 0.5963 0.6045 0.0656 0.0122 0.0116 83 MET A SD 2139 C CE . MET B 68 ? 0.5956 0.6614 0.6627 0.0658 0.0073 0.0078 83 MET A CE 2140 N N . PRO B 69 ? 0.3415 0.3953 0.4140 0.0477 0.0115 0.0073 84 PRO A N 2141 C CA . PRO B 69 ? 0.3609 0.4161 0.4355 0.0447 0.0106 0.0053 84 PRO A CA 2142 C C . PRO B 69 ? 0.3593 0.4166 0.4390 0.0412 0.0094 0.0025 84 PRO A C 2143 O O . PRO B 69 ? 0.3395 0.3946 0.4204 0.0380 0.0101 0.0020 84 PRO A O 2144 C CB . PRO B 69 ? 0.3771 0.4348 0.4482 0.0479 0.0085 0.0041 84 PRO A CB 2145 C CG . PRO B 69 ? 0.3800 0.4355 0.4461 0.0520 0.0098 0.0070 84 PRO A CG 2146 C CD . PRO B 69 ? 0.3585 0.4126 0.4257 0.0525 0.0109 0.0083 84 PRO A CD 2147 N N . GLY B 70 ? 0.3475 0.4095 0.4300 0.0419 0.0078 0.0009 85 GLY A N 2148 C CA . GLY B 70 ? 0.3340 0.3985 0.4214 0.0381 0.0072 -0.0014 85 GLY A CA 2149 C C . GLY B 70 ? 0.3244 0.3844 0.4135 0.0358 0.0098 -0.0002 85 GLY A C 2150 O O . GLY B 70 ? 0.3611 0.4201 0.4525 0.0321 0.0100 -0.0018 85 GLY A O 2151 N N . CYS B 71 ? 0.2890 0.3451 0.3756 0.0378 0.0117 0.0024 86 CYS A N 2152 C CA . CYS B 71 ? 0.3012 0.3513 0.3875 0.0356 0.0139 0.0036 86 CYS A CA 2153 C C . CYS B 71 ? 0.3150 0.3611 0.4002 0.0324 0.0144 0.0042 86 CYS A C 2154 O O . CYS B 71 ? 0.3139 0.3578 0.4006 0.0293 0.0148 0.0034 86 CYS A O 2155 C CB . CYS B 71 ? 0.3324 0.3780 0.4144 0.0386 0.0156 0.0062 86 CYS A CB 2156 S SG . CYS B 71 ? 0.3455 0.3815 0.4246 0.0360 0.0179 0.0076 86 CYS A SG 2157 N N . ARG B 72 ? 0.3015 0.3474 0.3841 0.0335 0.0145 0.0058 87 ARG A N 2158 C CA . ARG B 72 ? 0.2957 0.3403 0.3781 0.0312 0.0152 0.0069 87 ARG A CA 2159 C C . ARG B 72 ? 0.2929 0.3393 0.3771 0.0299 0.0140 0.0044 87 ARG A C 2160 O O . ARG B 72 ? 0.2997 0.3444 0.3845 0.0277 0.0144 0.0045 87 ARG A O 2161 C CB . ARG B 72 ? 0.3362 0.3819 0.4159 0.0330 0.0159 0.0091 87 ARG A CB 2162 C CG . ARG B 72 ? 0.3494 0.3958 0.4300 0.0305 0.0169 0.0107 87 ARG A CG 2163 C CD . ARG B 72 ? 0.3957 0.4431 0.4742 0.0310 0.0186 0.0140 87 ARG A CD 2164 N NE . ARG B 72 ? 0.4201 0.4709 0.4968 0.0349 0.0184 0.0138 87 ARG A NE 2165 C CZ . ARG B 72 ? 0.3934 0.4482 0.4703 0.0360 0.0192 0.0147 87 ARG A CZ 2166 N NH1 . ARG B 72 ? 0.4230 0.4810 0.5029 0.0334 0.0202 0.0164 87 ARG A NH1 2167 N NH2 . ARG B 72 ? 0.3980 0.4538 0.4715 0.0402 0.0190 0.0141 87 ARG A NH2 2168 N N . LYS B 73 ? 0.2899 0.3389 0.3739 0.0313 0.0125 0.0022 88 LYS A N 2169 C CA . LYS B 73 ? 0.2976 0.3458 0.3813 0.0298 0.0115 -0.0003 88 LYS A CA 2170 C C . LYS B 73 ? 0.2756 0.3208 0.3613 0.0265 0.0122 -0.0013 88 LYS A C 2171 O O . LYS B 73 ? 0.2605 0.3027 0.3445 0.0254 0.0124 -0.0019 88 LYS A O 2172 C CB . LYS B 73 ? 0.3404 0.3911 0.4234 0.0304 0.0094 -0.0029 88 LYS A CB 2173 C CG . LYS B 73 ? 0.3935 0.4408 0.4735 0.0286 0.0086 -0.0053 88 LYS A CG 2174 C CD . LYS B 73 ? 0.4826 0.5305 0.5588 0.0296 0.0063 -0.0075 88 LYS A CD 2175 C CE . LYS B 73 ? 0.5269 0.5756 0.6045 0.0256 0.0045 -0.0107 88 LYS A CE 2176 N NZ . LYS B 73 ? 0.6416 0.6846 0.7118 0.0248 0.0030 -0.0131 88 LYS A NZ 2177 N N . HIS B 74 ? 0.2782 0.3239 0.3665 0.0255 0.0127 -0.0015 89 HIS A N 2178 C CA . HIS B 74 ? 0.2907 0.3329 0.3802 0.0228 0.0138 -0.0021 89 HIS A CA 2179 C C . HIS B 74 ? 0.2705 0.3082 0.3583 0.0218 0.0147 -0.0004 89 HIS A C 2180 O O . HIS B 74 ? 0.2320 0.2662 0.3187 0.0201 0.0150 -0.0012 89 HIS A O 2181 C CB . HIS B 74 ? 0.2881 0.3318 0.3800 0.0232 0.0147 -0.0019 89 HIS A CB 2182 C CG . HIS B 74 ? 0.3049 0.3547 0.4002 0.0229 0.0138 -0.0040 89 HIS A CG 2183 N ND1 . HIS B 74 ? 0.3154 0.3650 0.4121 0.0195 0.0141 -0.0061 89 HIS A ND1 2184 C CD2 . HIS B 74 ? 0.3108 0.3675 0.4080 0.0252 0.0125 -0.0042 89 HIS A CD2 2185 C CE1 . HIS B 74 ? 0.3394 0.3964 0.4397 0.0189 0.0130 -0.0075 89 HIS A CE1 2186 N NE2 . HIS B 74 ? 0.3211 0.3830 0.4220 0.0227 0.0118 -0.0064 89 HIS A NE2 2187 N N . PHE B 75 ? 0.2865 0.3242 0.3736 0.0227 0.0151 0.0020 90 PHE A N 2188 C CA . PHE B 75 ? 0.2726 0.3075 0.3585 0.0209 0.0155 0.0038 90 PHE A CA 2189 C C . PHE B 75 ? 0.2889 0.3262 0.3747 0.0211 0.0149 0.0038 90 PHE A C 2190 O O . PHE B 75 ? 0.2982 0.3337 0.3834 0.0196 0.0147 0.0040 90 PHE A O 2191 C CB . PHE B 75 ? 0.2789 0.3129 0.3633 0.0209 0.0161 0.0065 90 PHE A CB 2192 C CG . PHE B 75 ? 0.2600 0.2884 0.3421 0.0207 0.0171 0.0070 90 PHE A CG 2193 C CD1 . PHE B 75 ? 0.2665 0.2889 0.3465 0.0181 0.0173 0.0071 90 PHE A CD1 2194 C CD2 . PHE B 75 ? 0.2792 0.3081 0.3604 0.0238 0.0176 0.0072 90 PHE A CD2 2195 C CE1 . PHE B 75 ? 0.2789 0.2947 0.3552 0.0186 0.0185 0.0075 90 PHE A CE1 2196 C CE2 . PHE B 75 ? 0.2635 0.2867 0.3414 0.0248 0.0188 0.0078 90 PHE A CE2 2197 C CZ . PHE B 75 ? 0.2797 0.2959 0.3548 0.0222 0.0194 0.0080 90 PHE A CZ 2198 N N . ILE B 76 ? 0.2857 0.3266 0.3710 0.0236 0.0145 0.0037 91 ILE A N 2199 C CA . ILE B 76 ? 0.2805 0.3232 0.3643 0.0252 0.0143 0.0037 91 ILE A CA 2200 C C . ILE B 76 ? 0.2692 0.3074 0.3508 0.0247 0.0140 0.0012 91 ILE A C 2201 O O . ILE B 76 ? 0.2770 0.3146 0.3570 0.0254 0.0140 0.0016 91 ILE A O 2202 C CB . ILE B 76 ? 0.2863 0.3321 0.3683 0.0286 0.0143 0.0040 91 ILE A CB 2203 C CG1 . ILE B 76 ? 0.2855 0.3351 0.3688 0.0291 0.0152 0.0069 91 ILE A CG1 2204 C CG2 . ILE B 76 ? 0.2664 0.3127 0.3453 0.0313 0.0145 0.0039 91 ILE A CG2 2205 C CD1 . ILE B 76 ? 0.2899 0.3417 0.3705 0.0329 0.0155 0.0073 91 ILE A CD1 2206 N N . GLN B 77 ? 0.2527 0.2884 0.3340 0.0237 0.0137 -0.0011 92 GLN A N 2207 C CA . GLN B 77 ? 0.2633 0.2935 0.3417 0.0224 0.0138 -0.0035 92 GLN A CA 2208 C C . GLN B 77 ? 0.2734 0.3002 0.3520 0.0206 0.0145 -0.0030 92 GLN A C 2209 O O . GLN B 77 ? 0.2845 0.3070 0.3593 0.0211 0.0146 -0.0036 92 GLN A O 2210 C CB . GLN B 77 ? 0.2579 0.2877 0.3371 0.0204 0.0135 -0.0058 92 GLN A CB 2211 C CG . GLN B 77 ? 0.2728 0.3045 0.3498 0.0219 0.0121 -0.0069 92 GLN A CG 2212 C CD . GLN B 77 ? 0.3129 0.3464 0.3918 0.0193 0.0112 -0.0092 92 GLN A CD 2213 O OE1 . GLN B 77 ? 0.3178 0.3537 0.4013 0.0173 0.0119 -0.0093 92 GLN A OE1 2214 N NE2 . GLN B 77 ? 0.3459 0.3789 0.4212 0.0194 0.0096 -0.0111 92 GLN A NE2 2215 N N . ALA B 78 ? 0.2482 0.2758 0.3299 0.0191 0.0148 -0.0017 93 ALA A N 2216 C CA . ALA B 78 ? 0.2561 0.2797 0.3368 0.0175 0.0152 -0.0011 93 ALA A CA 2217 C C . ALA B 78 ? 0.2521 0.2771 0.3316 0.0183 0.0143 0.0003 93 ALA A C 2218 O O . ALA B 78 ? 0.2458 0.2668 0.3226 0.0180 0.0141 0.0000 93 ALA A O 2219 C CB . ALA B 78 ? 0.2676 0.2906 0.3500 0.0163 0.0157 0.0000 93 ALA A CB 2220 N N . ILE B 79 ? 0.2612 0.2923 0.3426 0.0196 0.0138 0.0021 94 ILE A N 2221 C CA . ILE B 79 ? 0.2382 0.2737 0.3197 0.0207 0.0130 0.0039 94 ILE A CA 2222 C C . ILE B 79 ? 0.2507 0.2843 0.3282 0.0241 0.0130 0.0026 94 ILE A C 2223 O O . ILE B 79 ? 0.2842 0.3172 0.3598 0.0249 0.0124 0.0029 94 ILE A O 2224 C CB . ILE B 79 ? 0.2477 0.2912 0.3324 0.0213 0.0131 0.0065 94 ILE A CB 2225 C CG1 . ILE B 79 ? 0.2501 0.2932 0.3368 0.0177 0.0132 0.0080 94 ILE A CG1 2226 C CG2 . ILE B 79 ? 0.2423 0.2929 0.3282 0.0227 0.0125 0.0085 94 ILE A CG2 2227 C CD1 . ILE B 79 ? 0.2593 0.3081 0.3479 0.0181 0.0140 0.0104 94 ILE A CD1 2228 N N . CYS B 80 ? 0.2490 0.2810 0.3240 0.0262 0.0136 0.0012 95 CYS A N 2229 C CA . CYS B 80 ? 0.2529 0.2801 0.3215 0.0295 0.0139 -0.0001 95 CYS A CA 2230 C C . CYS B 80 ? 0.2441 0.2628 0.3087 0.0280 0.0141 -0.0018 95 CYS A C 2231 O O . CYS B 80 ? 0.2076 0.2231 0.2672 0.0308 0.0141 -0.0018 95 CYS A O 2232 C CB . CYS B 80 ? 0.2796 0.3034 0.3446 0.0305 0.0143 -0.0021 95 CYS A CB 2233 S SG . CYS B 80 ? 0.3257 0.3567 0.3918 0.0340 0.0143 -0.0004 95 CYS A SG 2234 N N . PHE B 81 ? 0.2271 0.2420 0.2934 0.0240 0.0146 -0.0032 96 PHE A N 2235 C CA . PHE B 81 ? 0.2408 0.2474 0.3033 0.0223 0.0154 -0.0047 96 PHE A CA 2236 C C . PHE B 81 ? 0.2775 0.2842 0.3392 0.0231 0.0146 -0.0032 96 PHE A C 2237 O O . PHE B 81 ? 0.2824 0.2834 0.3379 0.0252 0.0147 -0.0037 96 PHE A O 2238 C CB . PHE B 81 ? 0.2491 0.2550 0.3154 0.0184 0.0164 -0.0056 96 PHE A CB 2239 C CG . PHE B 81 ? 0.2450 0.2432 0.3081 0.0164 0.0178 -0.0068 96 PHE A CG 2240 C CD1 . PHE B 81 ? 0.2534 0.2436 0.3100 0.0162 0.0190 -0.0085 96 PHE A CD1 2241 C CD2 . PHE B 81 ? 0.2665 0.2641 0.3319 0.0146 0.0184 -0.0060 96 PHE A CD2 2242 C CE1 . PHE B 81 ? 0.2760 0.2586 0.3291 0.0140 0.0209 -0.0094 96 PHE A CE1 2243 C CE2 . PHE B 81 ? 0.2683 0.2584 0.3300 0.0132 0.0202 -0.0069 96 PHE A CE2 2244 C CZ . PHE B 81 ? 0.2705 0.2536 0.3265 0.0128 0.0215 -0.0085 96 PHE A CZ 2245 N N . TYR B 82 ? 0.2746 0.2875 0.3417 0.0216 0.0136 -0.0014 97 TYR A N 2246 C CA . TYR B 82 ? 0.2757 0.2897 0.3425 0.0212 0.0121 0.0000 97 TYR A CA 2247 C C . TYR B 82 ? 0.2698 0.2887 0.3349 0.0251 0.0108 0.0011 97 TYR A C 2248 O O . TYR B 82 ? 0.2618 0.2777 0.3229 0.0265 0.0099 0.0010 97 TYR A O 2249 C CB . TYR B 82 ? 0.2913 0.3107 0.3633 0.0181 0.0111 0.0017 97 TYR A CB 2250 C CG . TYR B 82 ? 0.3184 0.3373 0.3895 0.0160 0.0092 0.0027 97 TYR A CG 2251 C CD1 . TYR B 82 ? 0.3424 0.3702 0.4161 0.0162 0.0070 0.0048 97 TYR A CD1 2252 C CD2 . TYR B 82 ? 0.3497 0.3597 0.4171 0.0139 0.0095 0.0017 97 TYR A CD2 2253 C CE1 . TYR B 82 ? 0.3667 0.3943 0.4393 0.0134 0.0046 0.0055 97 TYR A CE1 2254 C CE2 . TYR B 82 ? 0.3679 0.3758 0.4329 0.0119 0.0074 0.0023 97 TYR A CE2 2255 C CZ . TYR B 82 ? 0.3895 0.4061 0.4570 0.0113 0.0047 0.0040 97 TYR A CZ 2256 O OH . TYR B 82 ? 0.4542 0.4681 0.5188 0.0084 0.0021 0.0043 97 TYR A OH 2257 N N . GLU B 83 ? 0.2511 0.2777 0.3189 0.0276 0.0109 0.0023 98 GLU A N 2258 C CA . GLU B 83 ? 0.2644 0.2980 0.3314 0.0323 0.0101 0.0040 98 GLU A CA 2259 C C . GLU B 83 ? 0.2719 0.2982 0.3303 0.0377 0.0112 0.0026 98 GLU A C 2260 O O . GLU B 83 ? 0.2490 0.2786 0.3044 0.0426 0.0105 0.0038 98 GLU A O 2261 C CB . GLU B 83 ? 0.2562 0.3010 0.3288 0.0334 0.0104 0.0062 98 GLU A CB 2262 C CG . GLU B 83 ? 0.2808 0.3325 0.3606 0.0282 0.0095 0.0081 98 GLU A CG 2263 C CD . GLU B 83 ? 0.2894 0.3476 0.3719 0.0261 0.0072 0.0098 98 GLU A CD 2264 O OE1 . GLU B 83 ? 0.2919 0.3534 0.3724 0.0301 0.0062 0.0103 98 GLU A OE1 2265 O OE2 . GLU B 83 ? 0.2991 0.3586 0.3851 0.0205 0.0061 0.0107 98 GLU A OE2 2266 N N . CYS B 84 ? 0.2538 0.2705 0.3077 0.0369 0.0128 0.0002 99 CYS A N 2267 C CA . CYS B 84 ? 0.2901 0.2978 0.3341 0.0414 0.0141 -0.0012 99 CYS A CA 2268 C C . CYS B 84 ? 0.3044 0.2980 0.3400 0.0401 0.0151 -0.0035 99 CYS A C 2269 O O . CYS B 84 ? 0.3091 0.2945 0.3348 0.0445 0.0160 -0.0041 99 CYS A O 2270 C CB . CYS B 84 ? 0.2962 0.3022 0.3387 0.0416 0.0151 -0.0022 99 CYS A CB 2271 S SG . CYS B 84 ? 0.3108 0.3308 0.3607 0.0436 0.0147 0.0003 99 CYS A SG 2272 N N . SER B 85 ? 0.3011 0.2912 0.3397 0.0345 0.0155 -0.0046 100 SER A N 2273 C CA . SER B 85 ? 0.3161 0.2931 0.3470 0.0327 0.0171 -0.0067 100 SER A CA 2274 C C . SER B 85 ? 0.3349 0.3057 0.3576 0.0369 0.0170 -0.0062 100 SER A C 2275 O O . SER B 85 ? 0.3443 0.3216 0.3708 0.0378 0.0151 -0.0046 100 SER A O 2276 C CB . SER B 85 ? 0.3036 0.2797 0.3398 0.0268 0.0179 -0.0074 100 SER A CB 2277 O OG . SER B 85 ? 0.3200 0.2841 0.3487 0.0253 0.0199 -0.0089 100 SER A OG 2278 N N . PRO B 86 ? 0.3314 0.2890 0.3421 0.0394 0.0187 -0.0076 101 PRO A N 2279 C CA . PRO B 86 ? 0.3394 0.2881 0.3401 0.0435 0.0190 -0.0073 101 PRO A CA 2280 C C . PRO B 86 ? 0.3348 0.2733 0.3324 0.0388 0.0208 -0.0087 101 PRO A C 2281 O O . PRO B 86 ? 0.3451 0.2732 0.3326 0.0416 0.0217 -0.0088 101 PRO A O 2282 C CB . PRO B 86 ? 0.3594 0.2963 0.3468 0.0482 0.0207 -0.0083 101 PRO A CB 2283 C CG . PRO B 86 ? 0.3594 0.2921 0.3477 0.0423 0.0222 -0.0104 101 PRO A CG 2284 C CD . PRO B 86 ? 0.3331 0.2821 0.3372 0.0385 0.0204 -0.0095 101 PRO A CD 2285 N N . ASN B 87 ? 0.3320 0.2735 0.3378 0.0322 0.0216 -0.0094 102 ASN A N 2286 C CA . ASN B 87 ? 0.3243 0.2566 0.3275 0.0274 0.0242 -0.0106 102 ASN A CA 2287 C C . ASN B 87 ? 0.3273 0.2650 0.3379 0.0248 0.0236 -0.0097 102 ASN A C 2288 O O . ASN B 87 ? 0.3367 0.2703 0.3482 0.0206 0.0261 -0.0104 102 ASN A O 2289 C CB . ASN B 87 ? 0.3449 0.2753 0.3500 0.0220 0.0263 -0.0123 102 ASN A CB 2290 C CG . ASN B 87 ? 0.3702 0.2904 0.3645 0.0236 0.0272 -0.0137 102 ASN A CG 2291 O OD1 . ASN B 87 ? 0.4279 0.3513 0.4242 0.0223 0.0266 -0.0145 102 ASN A OD1 2292 N ND2 . ASN B 87 ? 0.3655 0.2722 0.3468 0.0268 0.0287 -0.0138 102 ASN A ND2 2293 N N . LEU B 88 ? 0.3053 0.2520 0.3206 0.0272 0.0205 -0.0081 103 LEU A N 2294 C CA . LEU B 88 ? 0.3100 0.2604 0.3307 0.0246 0.0196 -0.0073 103 LEU A CA 2295 C C . LEU B 88 ? 0.3321 0.2756 0.3454 0.0268 0.0187 -0.0069 103 LEU A C 2296 O O . LEU B 88 ? 0.3243 0.2682 0.3394 0.0248 0.0178 -0.0065 103 LEU A O 2297 C CB . LEU B 88 ? 0.2819 0.2459 0.3122 0.0242 0.0166 -0.0058 103 LEU A CB 2298 C CG . LEU B 88 ? 0.2690 0.2405 0.3063 0.0230 0.0170 -0.0059 103 LEU A CG 2299 C CD1 . LEU B 88 ? 0.2620 0.2454 0.3074 0.0226 0.0144 -0.0041 103 LEU A CD1 2300 C CD2 . LEU B 88 ? 0.2761 0.2449 0.3161 0.0189 0.0197 -0.0072 103 LEU A CD2 2301 N N . GLY B 89 ? 0.3393 0.2753 0.3428 0.0311 0.0189 -0.0072 104 GLY A N 2302 C CA . GLY B 89 ? 0.3701 0.3004 0.3658 0.0343 0.0174 -0.0067 104 GLY A CA 2303 C C . GLY B 89 ? 0.3746 0.2969 0.3673 0.0314 0.0188 -0.0071 104 GLY A C 2304 O O . GLY B 89 ? 0.3808 0.3046 0.3727 0.0321 0.0159 -0.0064 104 GLY A O 2305 N N . PRO B 90 ? 0.3830 0.2971 0.3739 0.0280 0.0232 -0.0082 105 PRO A N 2306 C CA . PRO B 90 ? 0.3868 0.2936 0.3747 0.0260 0.0252 -0.0082 105 PRO A CA 2307 C C . PRO B 90 ? 0.3790 0.2932 0.3747 0.0233 0.0234 -0.0075 105 PRO A C 2308 O O . PRO B 90 ? 0.3581 0.2654 0.3494 0.0227 0.0244 -0.0074 105 PRO A O 2309 C CB . PRO B 90 ? 0.4103 0.3106 0.3972 0.0224 0.0306 -0.0092 105 PRO A CB 2310 C CG . PRO B 90 ? 0.3980 0.2962 0.3817 0.0235 0.0312 -0.0099 105 PRO A CG 2311 C CD . PRO B 90 ? 0.4022 0.3123 0.3922 0.0261 0.0268 -0.0093 105 PRO A CD 2312 N N . TRP B 91 ? 0.3644 0.2909 0.3701 0.0220 0.0209 -0.0070 106 TRP A N 2313 C CA . TRP B 91 ? 0.3555 0.2873 0.3669 0.0195 0.0193 -0.0062 106 TRP A CA 2314 C C . TRP B 91 ? 0.3427 0.2822 0.3563 0.0202 0.0140 -0.0052 106 TRP A C 2315 O O . TRP B 91 ? 0.3008 0.2445 0.3185 0.0175 0.0122 -0.0044 106 TRP A O 2316 C CB . TRP B 91 ? 0.3500 0.2890 0.3707 0.0168 0.0213 -0.0062 106 TRP A CB 2317 C CG . TRP B 91 ? 0.3503 0.2835 0.3697 0.0154 0.0263 -0.0071 106 TRP A CG 2318 C CD1 . TRP B 91 ? 0.3474 0.2754 0.3651 0.0144 0.0294 -0.0069 106 TRP A CD1 2319 C CD2 . TRP B 91 ? 0.3212 0.2528 0.3399 0.0148 0.0289 -0.0081 106 TRP A CD2 2320 N NE1 . TRP B 91 ? 0.3480 0.2734 0.3656 0.0128 0.0339 -0.0076 106 TRP A NE1 2321 C CE2 . TRP B 91 ? 0.3326 0.2595 0.3505 0.0125 0.0334 -0.0085 106 TRP A CE2 2322 C CE3 . TRP B 91 ? 0.3223 0.2553 0.3401 0.0160 0.0278 -0.0087 106 TRP A CE3 2323 C CZ2 . TRP B 91 ? 0.3378 0.2620 0.3547 0.0101 0.0367 -0.0095 106 TRP A CZ2 2324 C CZ3 . TRP B 91 ? 0.3265 0.2546 0.3416 0.0141 0.0310 -0.0099 106 TRP A CZ3 2325 C CH2 . TRP B 91 ? 0.3347 0.2588 0.3498 0.0106 0.0352 -0.0104 106 TRP A CH2 2326 N N . ILE B 92 ? 0.3445 0.2859 0.3548 0.0237 0.0117 -0.0050 107 ILE A N 2327 C CA . ILE B 92 ? 0.3573 0.3086 0.3708 0.0242 0.0066 -0.0037 107 ILE A CA 2328 C C . ILE B 92 ? 0.3915 0.3367 0.3984 0.0233 0.0039 -0.0038 107 ILE A C 2329 O O . ILE B 92 ? 0.3675 0.3011 0.3647 0.0256 0.0052 -0.0046 107 ILE A O 2330 C CB . ILE B 92 ? 0.3797 0.3369 0.3921 0.0294 0.0050 -0.0032 107 ILE A CB 2331 C CG1 . ILE B 92 ? 0.3848 0.3490 0.4036 0.0299 0.0070 -0.0030 107 ILE A CG1 2332 C CG2 . ILE B 92 ? 0.3759 0.3442 0.3910 0.0300 -0.0002 -0.0018 107 ILE A CG2 2333 C CD1 . ILE B 92 ? 0.4003 0.3685 0.4163 0.0360 0.0063 -0.0025 107 ILE A CD1 2334 N N . GLN B 93 ? 0.4011 0.3533 0.4125 0.0198 0.0002 -0.0029 108 GLN A N 2335 C CA . GLN B 93 ? 0.4793 0.4263 0.4843 0.0179 -0.0033 -0.0030 108 GLN A CA 2336 C C . GLN B 93 ? 0.5566 0.5171 0.5677 0.0151 -0.0089 -0.0017 108 GLN A C 2337 O O . GLN B 93 ? 0.5294 0.5019 0.5502 0.0135 -0.0091 -0.0006 108 GLN A O 2338 C CB . GLN B 93 ? 0.4800 0.4162 0.4816 0.0144 -0.0010 -0.0036 108 GLN A CB 2339 C CG . GLN B 93 ? 0.5048 0.4309 0.5030 0.0164 0.0051 -0.0045 108 GLN A CG 2340 C CD . GLN B 93 ? 0.5192 0.4332 0.5113 0.0148 0.0078 -0.0048 108 GLN A CD 2341 O OE1 . GLN B 93 ? 0.5396 0.4473 0.5299 0.0162 0.0130 -0.0052 108 GLN A OE1 2342 N NE2 . GLN B 93 ? 0.4750 0.3858 0.4634 0.0121 0.0045 -0.0046 108 GLN A NE2 2343 N N . PRO B 94 ? 0.6540 0.6131 0.6595 0.0141 -0.0137 -0.0018 109 PRO A N 2344 C CA . PRO B 94 ? 0.6953 0.6670 0.7064 0.0094 -0.0194 -0.0006 109 PRO A CA 2345 C C . PRO B 94 ? 0.7358 0.7120 0.7541 0.0025 -0.0192 0.0002 109 PRO A C 2346 O O . PRO B 94 ? 0.7930 0.7581 0.8084 0.0003 -0.0158 -0.0003 109 PRO A O 2347 C CB . PRO B 94 ? 0.6943 0.6570 0.6949 0.0080 -0.0236 -0.0016 109 PRO A CB 2348 C CG . PRO B 94 ? 0.6939 0.6469 0.6855 0.0153 -0.0214 -0.0026 109 PRO A CG 2349 C CD . PRO B 94 ? 0.6770 0.6241 0.6704 0.0177 -0.0143 -0.0029 109 PRO A CD 2350 N N . GLY B 108 ? 0.6260 0.6925 0.6856 0.0043 -0.0330 0.0093 123 GLY A N 2351 C CA . GLY B 108 ? 0.5789 0.6389 0.6400 0.0065 -0.0270 0.0091 123 GLY A CA 2352 C C . GLY B 108 ? 0.6091 0.6475 0.6598 0.0091 -0.0235 0.0065 123 GLY A C 2353 O O . GLY B 108 ? 0.6501 0.6765 0.6923 0.0071 -0.0254 0.0050 123 GLY A O 2354 N N . GLU B 109 ? 0.5271 0.5609 0.5783 0.0132 -0.0184 0.0060 124 GLU A N 2355 C CA . GLU B 109 ? 0.4542 0.4699 0.4975 0.0149 -0.0144 0.0039 124 GLU A CA 2356 C C . GLU B 109 ? 0.4110 0.4239 0.4586 0.0120 -0.0105 0.0038 124 GLU A C 2357 O O . GLU B 109 ? 0.3466 0.3705 0.4023 0.0105 -0.0101 0.0053 124 GLU A O 2358 C CB . GLU B 109 ? 0.4904 0.5019 0.5283 0.0230 -0.0121 0.0031 124 GLU A CB 2359 C CG . GLU B 109 ? 0.5261 0.5312 0.5545 0.0265 -0.0147 0.0023 124 GLU A CG 2360 C CD . GLU B 109 ? 0.5565 0.5594 0.5792 0.0352 -0.0129 0.0022 124 GLU A CD 2361 O OE1 . GLU B 109 ? 0.4786 0.4858 0.5047 0.0384 -0.0100 0.0027 124 GLU A OE1 2362 O OE2 . GLU B 109 ? 0.5867 0.5821 0.5999 0.0391 -0.0142 0.0015 124 GLU A OE2 2363 N N . ARG B 110 ? 0.3695 0.3678 0.4112 0.0118 -0.0073 0.0021 125 ARG A N 2364 C CA . ARG B 110 ? 0.3606 0.3553 0.4052 0.0098 -0.0037 0.0018 125 ARG A CA 2365 C C . ARG B 110 ? 0.3605 0.3428 0.3992 0.0127 0.0001 0.0000 125 ARG A C 2366 O O . ARG B 110 ? 0.3834 0.3593 0.4154 0.0158 0.0001 -0.0008 125 ARG A O 2367 C CB . ARG B 110 ? 0.3861 0.3764 0.4298 0.0038 -0.0048 0.0022 125 ARG A CB 2368 C CG . ARG B 110 ? 0.4235 0.3991 0.4572 0.0029 -0.0052 0.0008 125 ARG A CG 2369 C CD . ARG B 110 ? 0.4584 0.4261 0.4891 -0.0017 -0.0048 0.0010 125 ARG A CD 2370 N NE . ARG B 110 ? 0.4749 0.4384 0.5071 -0.0002 0.0000 0.0007 125 ARG A NE 2371 C CZ . ARG B 110 ? 0.4596 0.4168 0.4895 -0.0025 0.0014 0.0011 125 ARG A CZ 2372 N NH1 . ARG B 110 ? 0.4190 0.3711 0.4439 -0.0072 -0.0014 0.0017 125 ARG A NH1 2373 N NH2 . ARG B 110 ? 0.4588 0.4145 0.4909 -0.0002 0.0055 0.0010 125 ARG A NH2 2374 N N . VAL B 111 ? 0.3415 0.3204 0.3824 0.0113 0.0034 -0.0003 126 VAL A N 2375 C CA . VAL B 111 ? 0.3518 0.3214 0.3891 0.0128 0.0075 -0.0017 126 VAL A CA 2376 C C . VAL B 111 ? 0.3486 0.3106 0.3836 0.0102 0.0091 -0.0019 126 VAL A C 2377 O O . VAL B 111 ? 0.3365 0.3014 0.3743 0.0075 0.0079 -0.0009 126 VAL A O 2378 C CB . VAL B 111 ? 0.3963 0.3724 0.4392 0.0145 0.0095 -0.0019 126 VAL A CB 2379 C CG1 . VAL B 111 ? 0.4416 0.4169 0.4882 0.0130 0.0126 -0.0023 126 VAL A CG1 2380 C CG2 . VAL B 111 ? 0.4026 0.3756 0.4408 0.0184 0.0103 -0.0028 126 VAL A CG2 2381 N N . VAL B 112 ? 0.3521 0.3035 0.3808 0.0112 0.0119 -0.0029 127 VAL A N 2382 C CA . VAL B 112 ? 0.3432 0.2869 0.3687 0.0101 0.0142 -0.0029 127 VAL A CA 2383 C C . VAL B 112 ? 0.3319 0.2727 0.3581 0.0117 0.0193 -0.0036 127 VAL A C 2384 O O . VAL B 112 ? 0.3441 0.2803 0.3664 0.0130 0.0210 -0.0044 127 VAL A O 2385 C CB . VAL B 112 ? 0.3732 0.3058 0.3885 0.0098 0.0125 -0.0031 127 VAL A CB 2386 C CG1 . VAL B 112 ? 0.3898 0.3124 0.3996 0.0100 0.0157 -0.0030 127 VAL A CG1 2387 C CG2 . VAL B 112 ? 0.3811 0.3175 0.3961 0.0070 0.0071 -0.0024 127 VAL A CG2 2388 N N . ASN B 113 ? 0.3208 0.2644 0.3514 0.0113 0.0216 -0.0031 128 ASN A N 2389 C CA . ASN B 113 ? 0.3172 0.2602 0.3494 0.0124 0.0264 -0.0035 128 ASN A CA 2390 C C . ASN B 113 ? 0.3198 0.2673 0.3560 0.0121 0.0280 -0.0046 128 ASN A C 2391 O O . ASN B 113 ? 0.3213 0.2649 0.3557 0.0121 0.0318 -0.0052 128 ASN A O 2392 C CB . ASN B 113 ? 0.3263 0.2576 0.3497 0.0136 0.0291 -0.0036 128 ASN A CB 2393 C CG . ASN B 113 ? 0.3241 0.2489 0.3420 0.0141 0.0285 -0.0026 128 ASN A CG 2394 O OD1 . ASN B 113 ? 0.3151 0.2442 0.3364 0.0135 0.0271 -0.0018 128 ASN A OD1 2395 N ND2 . ASN B 113 ? 0.3467 0.2596 0.3546 0.0153 0.0297 -0.0027 128 ASN A ND2 2396 N N . VAL B 114 ? 0.3031 0.2579 0.3439 0.0118 0.0255 -0.0048 129 VAL A N 2397 C CA . VAL B 114 ? 0.2978 0.2558 0.3413 0.0113 0.0269 -0.0059 129 VAL A CA 2398 C C . VAL B 114 ? 0.2882 0.2511 0.3376 0.0102 0.0300 -0.0061 129 VAL A C 2399 O O . VAL B 114 ? 0.2794 0.2493 0.3343 0.0104 0.0293 -0.0054 129 VAL A O 2400 C CB . VAL B 114 ? 0.3228 0.2885 0.3705 0.0118 0.0240 -0.0059 129 VAL A CB 2401 C CG1 . VAL B 114 ? 0.3117 0.2793 0.3610 0.0110 0.0255 -0.0072 129 VAL A CG1 2402 C CG2 . VAL B 114 ? 0.3299 0.2936 0.3730 0.0135 0.0210 -0.0055 129 VAL A CG2 2403 N N . PRO B 115 ? 0.2977 0.2577 0.3459 0.0088 0.0335 -0.0069 130 PRO A N 2404 C CA . PRO B 115 ? 0.3118 0.2785 0.3664 0.0076 0.0365 -0.0069 130 PRO A CA 2405 C C . PRO B 115 ? 0.2857 0.2623 0.3475 0.0058 0.0352 -0.0077 130 PRO A C 2406 O O . PRO B 115 ? 0.3002 0.2751 0.3605 0.0036 0.0353 -0.0091 130 PRO A O 2407 C CB . PRO B 115 ? 0.3224 0.2825 0.3727 0.0060 0.0407 -0.0073 130 PRO A CB 2408 C CG . PRO B 115 ? 0.3437 0.2950 0.3866 0.0056 0.0395 -0.0083 130 PRO A CG 2409 C CD . PRO B 115 ? 0.3202 0.2704 0.3606 0.0084 0.0352 -0.0077 130 PRO A CD 2410 N N . LEU B 116 ? 0.2797 0.2653 0.3479 0.0070 0.0340 -0.0070 131 LEU A N 2411 C CA . LEU B 116 ? 0.2774 0.2725 0.3519 0.0059 0.0323 -0.0077 131 LEU A CA 2412 C C . LEU B 116 ? 0.2785 0.2818 0.3593 0.0041 0.0348 -0.0080 131 LEU A C 2413 O O . LEU B 116 ? 0.2757 0.2817 0.3586 0.0060 0.0371 -0.0068 131 LEU A O 2414 C CB . LEU B 116 ? 0.3035 0.3040 0.3810 0.0085 0.0295 -0.0066 131 LEU A CB 2415 C CG . LEU B 116 ? 0.3442 0.3408 0.4179 0.0096 0.0266 -0.0062 131 LEU A CG 2416 C CD1 . LEU B 116 ? 0.3962 0.3989 0.4733 0.0113 0.0245 -0.0049 131 LEU A CD1 2417 C CD2 . LEU B 116 ? 0.3693 0.3643 0.4407 0.0085 0.0255 -0.0076 131 LEU A CD2 2418 N N . CYS B 117 ? 0.3076 0.3153 0.3912 0.0006 0.0343 -0.0097 132 CYS A N 2419 C CA . CYS B 117 ? 0.3126 0.3296 0.4028 -0.0023 0.0363 -0.0101 132 CYS A CA 2420 C C . CYS B 117 ? 0.3275 0.3568 0.4253 0.0008 0.0355 -0.0089 132 CYS A C 2421 O O . CYS B 117 ? 0.2928 0.3239 0.3908 0.0041 0.0327 -0.0083 132 CYS A O 2422 C CB . CYS B 117 ? 0.3551 0.3738 0.4458 -0.0075 0.0349 -0.0123 132 CYS A CB 2423 S SG . CYS B 117 ? 0.3767 0.3793 0.4565 -0.0112 0.0363 -0.0138 132 CYS A SG 2424 N N . GLN B 118 ? 0.3193 0.3574 0.4230 0.0001 0.0384 -0.0083 133 GLN A N 2425 C CA . GLN B 118 ? 0.3600 0.4103 0.4703 0.0041 0.0382 -0.0069 133 GLN A CA 2426 C C . GLN B 118 ? 0.3517 0.4106 0.4661 0.0046 0.0338 -0.0078 133 GLN A C 2427 O O . GLN B 118 ? 0.3190 0.3800 0.4335 0.0097 0.0324 -0.0065 133 GLN A O 2428 C CB . GLN B 118 ? 0.3971 0.4584 0.5144 0.0025 0.0418 -0.0064 133 GLN A CB 2429 C CG . GLN B 118 ? 0.5007 0.5728 0.6230 0.0086 0.0431 -0.0042 133 GLN A CG 2430 C CD . GLN B 118 ? 0.5197 0.6016 0.6481 0.0072 0.0477 -0.0033 133 GLN A CD 2431 O OE1 . GLN B 118 ? 0.5397 0.6343 0.6761 0.0019 0.0473 -0.0043 133 GLN A OE1 2432 N NE2 . GLN B 118 ? 0.4970 0.5726 0.6210 0.0113 0.0521 -0.0014 133 GLN A NE2 2433 N N . GLU B 119 ? 0.3246 0.3864 0.4407 -0.0007 0.0317 -0.0099 134 GLU A N 2434 C CA . GLU B 119 ? 0.3541 0.4231 0.4729 -0.0002 0.0275 -0.0109 134 GLU A CA 2435 C C . GLU B 119 ? 0.3490 0.4098 0.4619 0.0036 0.0250 -0.0104 134 GLU A C 2436 O O . GLU B 119 ? 0.3602 0.4268 0.4750 0.0071 0.0227 -0.0098 134 GLU A O 2437 C CB . GLU B 119 ? 0.3882 0.4589 0.5074 -0.0072 0.0255 -0.0136 134 GLU A CB 2438 C CG . GLU B 119 ? 0.4006 0.4827 0.5273 -0.0124 0.0273 -0.0142 134 GLU A CG 2439 C CD . GLU B 119 ? 0.4433 0.5165 0.5664 -0.0175 0.0313 -0.0145 134 GLU A CD 2440 O OE1 . GLU B 119 ? 0.4041 0.4656 0.5211 -0.0147 0.0339 -0.0133 134 GLU A OE1 2441 O OE2 . GLU B 119 ? 0.4913 0.5685 0.6168 -0.0249 0.0318 -0.0160 134 GLU A OE2 2442 N N . ASP B 120 ? 0.3013 0.3493 0.4072 0.0033 0.0258 -0.0104 135 ASP A N 2443 C CA . ASP B 120 ? 0.3307 0.3727 0.4319 0.0064 0.0237 -0.0097 135 ASP A CA 2444 C C . ASP B 120 ? 0.3312 0.3743 0.4328 0.0114 0.0241 -0.0073 135 ASP A C 2445 O O . ASP B 120 ? 0.3486 0.3936 0.4500 0.0140 0.0220 -0.0066 135 ASP A O 2446 C CB . ASP B 120 ? 0.3205 0.3505 0.4147 0.0052 0.0242 -0.0100 135 ASP A CB 2447 C CG . ASP B 120 ? 0.3461 0.3723 0.4370 0.0011 0.0237 -0.0123 135 ASP A CG 2448 O OD1 . ASP B 120 ? 0.3149 0.3418 0.4072 -0.0030 0.0256 -0.0134 135 ASP A OD1 2449 O OD2 . ASP B 120 ? 0.3284 0.3505 0.4150 0.0020 0.0216 -0.0128 135 ASP A OD2 2450 N N . CYS B 121 ? 0.3028 0.3439 0.4042 0.0128 0.0270 -0.0060 136 CYS A N 2451 C CA . CYS B 121 ? 0.3234 0.3633 0.4231 0.0176 0.0277 -0.0038 136 CYS A CA 2452 C C . CYS B 121 ? 0.3438 0.3951 0.4487 0.0211 0.0274 -0.0031 136 CYS A C 2453 O O . CYS B 121 ? 0.3371 0.3877 0.4397 0.0251 0.0265 -0.0016 136 CYS A O 2454 C CB . CYS B 121 ? 0.3549 0.3875 0.4508 0.0185 0.0311 -0.0028 136 CYS A CB 2455 S SG . CYS B 121 ? 0.3888 0.4076 0.4772 0.0155 0.0308 -0.0034 136 CYS A SG 2456 N N . GLU B 122 ? 0.3360 0.3977 0.4474 0.0194 0.0281 -0.0041 137 GLU A N 2457 C CA . GLU B 122 ? 0.4038 0.4790 0.5213 0.0227 0.0275 -0.0035 137 GLU A CA 2458 C C . GLU B 122 ? 0.3532 0.4322 0.4710 0.0237 0.0235 -0.0041 137 GLU A C 2459 O O . GLU B 122 ? 0.3119 0.3939 0.4289 0.0291 0.0229 -0.0026 137 GLU A O 2460 C CB . GLU B 122 ? 0.5010 0.5881 0.6264 0.0186 0.0284 -0.0048 137 GLU A CB 2461 C CG . GLU B 122 ? 0.6541 0.7569 0.7867 0.0228 0.0291 -0.0036 137 GLU A CG 2462 C CD . GLU B 122 ? 0.7593 0.8627 0.8924 0.0258 0.0341 -0.0016 137 GLU A CD 2463 O OE1 . GLU B 122 ? 0.7886 0.8921 0.9239 0.0209 0.0367 -0.0023 137 GLU A OE1 2464 O OE2 . GLU B 122 ? 0.8515 0.9543 0.9816 0.0334 0.0356 0.0006 137 GLU A OE2 2465 N N . GLU B 123 ? 0.3449 0.4225 0.4625 0.0189 0.0210 -0.0062 138 GLU A N 2466 C CA . GLU B 123 ? 0.3592 0.4405 0.4765 0.0198 0.0173 -0.0070 138 GLU A CA 2467 C C . GLU B 123 ? 0.3230 0.3959 0.4343 0.0238 0.0170 -0.0052 138 GLU A C 2468 O O . GLU B 123 ? 0.3375 0.4137 0.4480 0.0276 0.0153 -0.0044 138 GLU A O 2469 C CB . GLU B 123 ? 0.3847 0.4646 0.5013 0.0141 0.0151 -0.0097 138 GLU A CB 2470 C CG . GLU B 123 ? 0.4514 0.5406 0.5739 0.0090 0.0149 -0.0116 138 GLU A CG 2471 C CD . GLU B 123 ? 0.5358 0.6188 0.6548 0.0024 0.0137 -0.0143 138 GLU A CD 2472 O OE1 . GLU B 123 ? 0.5845 0.6575 0.6965 0.0028 0.0125 -0.0149 138 GLU A OE1 2473 O OE2 . GLU B 123 ? 0.6670 0.7552 0.7897 -0.0032 0.0141 -0.0158 138 GLU A OE2 2474 N N . TRP B 124 ? 0.3062 0.3682 0.4128 0.0227 0.0187 -0.0045 139 TRP A N 2475 C CA . TRP B 124 ? 0.2965 0.3508 0.3977 0.0250 0.0185 -0.0027 139 TRP A CA 2476 C C . TRP B 124 ? 0.3251 0.3795 0.4245 0.0301 0.0197 -0.0004 139 TRP A C 2477 O O . TRP B 124 ? 0.3236 0.3773 0.4202 0.0331 0.0188 0.0008 139 TRP A O 2478 C CB . TRP B 124 ? 0.2987 0.3431 0.3961 0.0224 0.0199 -0.0025 139 TRP A CB 2479 C CG . TRP B 124 ? 0.3130 0.3502 0.4056 0.0228 0.0195 -0.0008 139 TRP A CG 2480 C CD1 . TRP B 124 ? 0.3108 0.3478 0.4013 0.0251 0.0188 0.0008 139 TRP A CD1 2481 C CD2 . TRP B 124 ? 0.3114 0.3408 0.4006 0.0204 0.0200 -0.0006 139 TRP A CD2 2482 N NE1 . TRP B 124 ? 0.3018 0.3323 0.3886 0.0235 0.0187 0.0021 139 TRP A NE1 2483 C CE2 . TRP B 124 ? 0.3110 0.3373 0.3972 0.0208 0.0192 0.0011 139 TRP A CE2 2484 C CE3 . TRP B 124 ? 0.3224 0.3473 0.4105 0.0180 0.0209 -0.0017 139 TRP A CE3 2485 C CZ2 . TRP B 124 ? 0.3155 0.3361 0.3987 0.0185 0.0189 0.0018 139 TRP A CZ2 2486 C CZ3 . TRP B 124 ? 0.3183 0.3365 0.4025 0.0165 0.0205 -0.0011 139 TRP A CZ3 2487 C CH2 . TRP B 124 ? 0.3080 0.3249 0.3903 0.0167 0.0193 0.0006 139 TRP A CH2 2488 N N . TRP B 125 ? 0.3143 0.3694 0.4147 0.0316 0.0222 0.0001 140 TRP A N 2489 C CA . TRP B 125 ? 0.3476 0.4022 0.4450 0.0376 0.0237 0.0022 140 TRP A CA 2490 C C . TRP B 125 ? 0.3292 0.3949 0.4300 0.0417 0.0219 0.0024 140 TRP A C 2491 O O . TRP B 125 ? 0.3221 0.3846 0.4179 0.0460 0.0216 0.0040 140 TRP A O 2492 C CB . TRP B 125 ? 0.3456 0.3994 0.4432 0.0389 0.0270 0.0027 140 TRP A CB 2493 C CG . TRP B 125 ? 0.3874 0.4367 0.4791 0.0454 0.0292 0.0051 140 TRP A CG 2494 C CD1 . TRP B 125 ? 0.4120 0.4466 0.4938 0.0467 0.0308 0.0067 140 TRP A CD1 2495 C CD2 . TRP B 125 ? 0.4220 0.4812 0.5161 0.0518 0.0299 0.0062 140 TRP A CD2 2496 N NE1 . TRP B 125 ? 0.4283 0.4610 0.5049 0.0539 0.0328 0.0087 140 TRP A NE1 2497 C CE2 . TRP B 125 ? 0.4388 0.4871 0.5230 0.0578 0.0324 0.0086 140 TRP A CE2 2498 C CE3 . TRP B 125 ? 0.4542 0.5305 0.5574 0.0532 0.0285 0.0054 140 TRP A CE3 2499 C CZ2 . TRP B 125 ? 0.4967 0.5506 0.5795 0.0663 0.0339 0.0104 140 TRP A CZ2 2500 C CZ3 . TRP B 125 ? 0.5246 0.6088 0.6280 0.0613 0.0297 0.0072 140 TRP A CZ3 2501 C CH2 . TRP B 125 ? 0.4978 0.5706 0.5908 0.0682 0.0325 0.0098 140 TRP A CH2 2502 N N . GLU B 126 ? 0.3516 0.4300 0.4603 0.0399 0.0206 0.0006 141 GLU A N 2503 C CA . GLU B 126 ? 0.3827 0.4735 0.4952 0.0438 0.0183 0.0005 141 GLU A CA 2504 C C . GLU B 126 ? 0.3859 0.4735 0.4941 0.0448 0.0155 0.0005 141 GLU A C 2505 O O . GLU B 126 ? 0.3831 0.4729 0.4886 0.0507 0.0148 0.0020 141 GLU A O 2506 C CB . GLU B 126 ? 0.4238 0.5287 0.5455 0.0396 0.0166 -0.0017 141 GLU A CB 2507 C CG . GLU B 126 ? 0.5396 0.6576 0.6676 0.0430 0.0182 -0.0008 141 GLU A CG 2508 C CD . GLU B 126 ? 0.5537 0.6792 0.6809 0.0514 0.0170 0.0008 141 GLU A CD 2509 O OE1 . GLU B 126 ? 0.6122 0.7435 0.7401 0.0520 0.0131 -0.0001 141 GLU A OE1 2510 O OE2 . GLU B 126 ? 0.6574 0.7819 0.7820 0.0580 0.0202 0.0032 141 GLU A OE2 2511 N N . ASP B 127 ? 0.3440 0.4262 0.4510 0.0397 0.0142 -0.0008 142 ASP A N 2512 C CA . ASP B 127 ? 0.3371 0.4158 0.4398 0.0404 0.0121 -0.0007 142 ASP A CA 2513 C C . ASP B 127 ? 0.3451 0.4133 0.4403 0.0435 0.0138 0.0020 142 ASP A C 2514 O O . ASP B 127 ? 0.3823 0.4489 0.4739 0.0453 0.0127 0.0028 142 ASP A O 2515 C CB . ASP B 127 ? 0.3378 0.4135 0.4407 0.0347 0.0108 -0.0027 142 ASP A CB 2516 C CG . ASP B 127 ? 0.3582 0.4426 0.4659 0.0312 0.0083 -0.0057 142 ASP A CG 2517 O OD1 . ASP B 127 ? 0.4449 0.5400 0.5572 0.0329 0.0070 -0.0061 142 ASP A OD1 2518 O OD2 . ASP B 127 ? 0.3468 0.4272 0.4534 0.0266 0.0077 -0.0075 142 ASP A OD2 2519 N N . CYS B 128 ? 0.3126 0.3730 0.4050 0.0436 0.0166 0.0035 143 CYS A N 2520 C CA . CYS B 128 ? 0.3509 0.4001 0.4353 0.0453 0.0183 0.0061 143 CYS A CA 2521 C C . CYS B 128 ? 0.3649 0.4112 0.4440 0.0517 0.0201 0.0082 143 CYS A C 2522 O O . CYS B 128 ? 0.3742 0.4094 0.4450 0.0529 0.0216 0.0104 143 CYS A O 2523 C CB . CYS B 128 ? 0.3608 0.4007 0.4431 0.0406 0.0199 0.0063 143 CYS A CB 2524 S SG . CYS B 128 ? 0.3713 0.4113 0.4562 0.0348 0.0182 0.0050 143 CYS A SG 2525 N N . ARG B 129 ? 0.3833 0.4394 0.4665 0.0560 0.0200 0.0078 144 ARG A N 2526 C CA . ARG B 129 ? 0.4600 0.5137 0.5375 0.0635 0.0220 0.0099 144 ARG A CA 2527 C C . ARG B 129 ? 0.4796 0.5268 0.5483 0.0684 0.0219 0.0120 144 ARG A C 2528 O O . ARG B 129 ? 0.6102 0.6456 0.6690 0.0722 0.0244 0.0143 144 ARG A O 2529 C CB . ARG B 129 ? 0.4712 0.5407 0.5562 0.0679 0.0213 0.0092 144 ARG A CB 2530 C CG . ARG B 129 ? 0.5349 0.6114 0.6281 0.0638 0.0222 0.0076 144 ARG A CG 2531 C CD . ARG B 129 ? 0.6216 0.7167 0.7239 0.0668 0.0210 0.0069 144 ARG A CD 2532 N NE . ARG B 129 ? 0.7361 0.8333 0.8360 0.0748 0.0241 0.0092 144 ARG A NE 2533 C CZ . ARG B 129 ? 0.8218 0.9363 0.9299 0.0785 0.0241 0.0093 144 ARG A CZ 2534 N NH1 . ARG B 129 ? 0.8381 0.9695 0.9574 0.0740 0.0208 0.0070 144 ARG A NH1 2535 N NH2 . ARG B 129 ? 0.8024 0.9175 0.9069 0.0869 0.0275 0.0117 144 ARG A NH2 2536 N N . MET B 130 ? 0.4736 0.5273 0.5447 0.0682 0.0191 0.0113 145 MET A N 2537 C CA . MET B 130 ? 0.4909 0.5385 0.5534 0.0727 0.0190 0.0133 145 MET A CA 2538 C C . MET B 130 ? 0.4554 0.4901 0.5114 0.0680 0.0203 0.0146 145 MET A C 2539 O O . MET B 130 ? 0.4470 0.4755 0.4953 0.0708 0.0208 0.0165 145 MET A O 2540 C CB . MET B 130 ? 0.5338 0.5941 0.6008 0.0751 0.0155 0.0119 145 MET A CB 2541 C CG . MET B 130 ? 0.5807 0.6565 0.6550 0.0793 0.0137 0.0107 145 MET A CG 2542 S SD . MET B 130 ? 0.6850 0.7575 0.7523 0.0893 0.0168 0.0136 145 MET A SD 2543 C CE . MET B 130 ? 0.6740 0.7413 0.7302 0.0973 0.0159 0.0157 145 MET A CE 2544 N N . SER B 131 ? 0.3989 0.4300 0.4579 0.0608 0.0208 0.0138 146 SER A N 2545 C CA . SER B 131 ? 0.3731 0.3936 0.4269 0.0560 0.0220 0.0154 146 SER A CA 2546 C C . SER B 131 ? 0.3968 0.4029 0.4413 0.0558 0.0248 0.0174 146 SER A C 2547 O O . SER B 131 ? 0.3947 0.3990 0.4375 0.0591 0.0259 0.0172 146 SER A O 2548 C CB . SER B 131 ? 0.3569 0.3815 0.4181 0.0490 0.0208 0.0136 146 SER A CB 2549 O OG . SER B 131 ? 0.3490 0.3852 0.4172 0.0495 0.0183 0.0114 146 SER A OG 2550 N N . TYR B 132 ? 0.4043 0.4001 0.4424 0.0515 0.0260 0.0192 147 TYR A N 2551 C CA . TYR B 132 ? 0.4139 0.3934 0.4404 0.0506 0.0284 0.0213 147 TYR A CA 2552 C C . TYR B 132 ? 0.4053 0.3793 0.4324 0.0419 0.0283 0.0212 147 TYR A C 2553 O O . TYR B 132 ? 0.3626 0.3432 0.3962 0.0367 0.0271 0.0209 147 TYR A O 2554 C CB . TYR B 132 ? 0.4509 0.4203 0.4659 0.0535 0.0302 0.0242 147 TYR A CB 2555 C CG . TYR B 132 ? 0.4833 0.4520 0.4923 0.0637 0.0309 0.0249 147 TYR A CG 2556 C CD1 . TYR B 132 ? 0.4971 0.4815 0.5148 0.0690 0.0288 0.0233 147 TYR A CD1 2557 C CD2 . TYR B 132 ? 0.5457 0.4981 0.5397 0.0681 0.0337 0.0271 147 TYR A CD2 2558 C CE1 . TYR B 132 ? 0.5445 0.5306 0.5576 0.0786 0.0290 0.0240 147 TYR A CE1 2559 C CE2 . TYR B 132 ? 0.5440 0.4966 0.5321 0.0786 0.0344 0.0280 147 TYR A CE2 2560 C CZ . TYR B 132 ? 0.5528 0.5236 0.5514 0.0839 0.0319 0.0264 147 TYR A CZ 2561 O OH . TYR B 132 ? 0.6289 0.6028 0.6232 0.0945 0.0321 0.0272 147 TYR A OH 2562 N N . THR B 133 ? 0.4160 0.3785 0.4360 0.0407 0.0295 0.0214 148 THR A N 2563 C CA . THR B 133 ? 0.4085 0.3627 0.4258 0.0325 0.0292 0.0217 148 THR A CA 2564 C C . THR B 133 ? 0.4446 0.3790 0.4460 0.0329 0.0314 0.0234 148 THR A C 2565 O O . THR B 133 ? 0.4519 0.3799 0.4450 0.0404 0.0333 0.0243 148 THR A O 2566 C CB . THR B 133 ? 0.4118 0.3723 0.4372 0.0298 0.0277 0.0192 148 THR A CB 2567 O OG1 . THR B 133 ? 0.3819 0.3360 0.4051 0.0219 0.0268 0.0194 148 THR A OG1 2568 C CG2 . THR B 133 ? 0.4109 0.3677 0.4332 0.0355 0.0290 0.0183 148 THR A CG2 2569 N N . CYS B 134 ? 0.4199 0.3446 0.4162 0.0250 0.0309 0.0238 149 CYS A N 2570 C CA . CYS B 134 ? 0.5078 0.4111 0.4870 0.0239 0.0327 0.0252 149 CYS A CA 2571 C C . CYS B 134 ? 0.5323 0.4264 0.5068 0.0210 0.0320 0.0238 149 CYS A C 2572 O O . CYS B 134 ? 0.5197 0.3943 0.4785 0.0195 0.0332 0.0248 149 CYS A O 2573 C CB . CYS B 134 ? 0.5391 0.4342 0.5118 0.0161 0.0329 0.0274 149 CYS A CB 2574 S SG . CYS B 134 ? 0.5307 0.4382 0.5159 0.0045 0.0299 0.0269 149 CYS A SG 2575 N N . LYS B 135 ? 0.4991 0.4058 0.4856 0.0201 0.0302 0.0216 150 LYS A N 2576 C CA . LYS B 135 ? 0.4991 0.3990 0.4825 0.0170 0.0292 0.0201 150 LYS A CA 2577 C C . LYS B 135 ? 0.5012 0.4131 0.4948 0.0220 0.0293 0.0181 150 LYS A C 2578 O O . LYS B 135 ? 0.4607 0.3894 0.4674 0.0237 0.0285 0.0172 150 LYS A O 2579 C CB . LYS B 135 ? 0.5025 0.4051 0.4900 0.0067 0.0262 0.0198 150 LYS A CB 2580 C CG . LYS B 135 ? 0.5085 0.3950 0.4829 -0.0001 0.0261 0.0217 150 LYS A CG 2581 C CD . LYS B 135 ? 0.5199 0.4136 0.5008 -0.0105 0.0231 0.0220 150 LYS A CD 2582 C CE . LYS B 135 ? 0.5106 0.4108 0.4982 -0.0136 0.0201 0.0198 150 LYS A CE 2583 N NZ . LYS B 135 ? 0.4867 0.3698 0.4615 -0.0127 0.0202 0.0186 150 LYS A NZ 2584 N N . SER B 136 ? 0.4931 0.3956 0.4798 0.0241 0.0303 0.0172 151 SER A N 2585 C CA . SER B 136 ? 0.5446 0.4575 0.5404 0.0276 0.0307 0.0154 151 SER A CA 2586 C C . SER B 136 ? 0.5187 0.4338 0.5190 0.0212 0.0282 0.0137 151 SER A C 2587 O O . SER B 136 ? 0.5321 0.4552 0.5397 0.0231 0.0286 0.0122 151 SER A O 2588 C CB . SER B 136 ? 0.5978 0.5025 0.5850 0.0358 0.0341 0.0158 151 SER A CB 2589 O OG . SER B 136 ? 0.6716 0.5549 0.6411 0.0358 0.0353 0.0169 151 SER A OG 2590 N N . ASN B 137 ? 0.5331 0.4412 0.5288 0.0136 0.0258 0.0140 152 ASN A N 2591 C CA . ASN B 137 ? 0.5365 0.4493 0.5376 0.0079 0.0229 0.0126 152 ASN A CA 2592 C C . ASN B 137 ? 0.5039 0.4232 0.5100 0.0007 0.0200 0.0134 152 ASN A C 2593 O O . ASN B 137 ? 0.4974 0.4067 0.4951 -0.0048 0.0189 0.0146 152 ASN A O 2594 C CB . ASN B 137 ? 0.5879 0.4849 0.5770 0.0061 0.0225 0.0118 152 ASN A CB 2595 C CG . ASN B 137 ? 0.6049 0.5083 0.6003 0.0031 0.0201 0.0100 152 ASN A CG 2596 O OD1 . ASN B 137 ? 0.6114 0.5266 0.6162 -0.0011 0.0174 0.0098 152 ASN A OD1 2597 N ND2 . ASN B 137 ? 0.6452 0.5412 0.6351 0.0062 0.0214 0.0089 152 ASN A ND2 2598 N N . TRP B 138 ? 0.4660 0.4019 0.4854 0.0006 0.0189 0.0127 153 TRP A N 2599 C CA . TRP B 138 ? 0.4668 0.4123 0.4927 -0.0044 0.0169 0.0138 153 TRP A CA 2600 C C . TRP B 138 ? 0.4639 0.4111 0.4910 -0.0112 0.0135 0.0135 153 TRP A C 2601 O O . TRP B 138 ? 0.4390 0.3944 0.4710 -0.0161 0.0118 0.0148 153 TRP A O 2602 C CB . TRP B 138 ? 0.4340 0.3957 0.4723 -0.0006 0.0172 0.0134 153 TRP A CB 2603 C CG . TRP B 138 ? 0.4108 0.3737 0.4490 0.0047 0.0197 0.0141 153 TRP A CG 2604 C CD1 . TRP B 138 ? 0.4028 0.3545 0.4316 0.0079 0.0218 0.0152 153 TRP A CD1 2605 C CD2 . TRP B 138 ? 0.3672 0.3429 0.4143 0.0081 0.0199 0.0139 153 TRP A CD2 2606 N NE1 . TRP B 138 ? 0.4013 0.3597 0.4336 0.0132 0.0232 0.0156 153 TRP A NE1 2607 C CE2 . TRP B 138 ? 0.3859 0.3588 0.4295 0.0130 0.0219 0.0147 153 TRP A CE2 2608 C CE3 . TRP B 138 ? 0.3632 0.3517 0.4199 0.0077 0.0186 0.0130 153 TRP A CE3 2609 C CZ2 . TRP B 138 ? 0.3746 0.3578 0.4244 0.0171 0.0222 0.0146 153 TRP A CZ2 2610 C CZ3 . TRP B 138 ? 0.3760 0.3730 0.4378 0.0116 0.0192 0.0128 153 TRP A CZ3 2611 C CH2 . TRP B 138 ? 0.3607 0.3554 0.4193 0.0160 0.0208 0.0135 153 TRP A CH2 2612 N N . ARG B 139 ? 0.4744 0.4146 0.4968 -0.0114 0.0125 0.0119 154 ARG A N 2613 C CA . ARG B 139 ? 0.5419 0.4843 0.5651 -0.0169 0.0088 0.0113 154 ARG A CA 2614 C C . ARG B 139 ? 0.5458 0.4826 0.5630 -0.0254 0.0062 0.0128 154 ARG A C 2615 O O . ARG B 139 ? 0.5583 0.5039 0.5805 -0.0307 0.0028 0.0130 154 ARG A O 2616 C CB . ARG B 139 ? 0.6061 0.5398 0.6235 -0.0145 0.0086 0.0093 154 ARG A CB 2617 C CG . ARG B 139 ? 0.6859 0.6099 0.6945 -0.0203 0.0052 0.0088 154 ARG A CG 2618 C CD . ARG B 139 ? 0.7442 0.6657 0.7511 -0.0174 0.0046 0.0069 154 ARG A CD 2619 N NE . ARG B 139 ? 0.7427 0.6515 0.7413 -0.0118 0.0083 0.0061 154 ARG A NE 2620 C CZ . ARG B 139 ? 0.8167 0.7074 0.8008 -0.0125 0.0087 0.0060 154 ARG A CZ 2621 N NH1 . ARG B 139 ? 0.9301 0.8116 0.9078 -0.0061 0.0127 0.0057 154 ARG A NH1 2622 N NH2 . ARG B 139 ? 0.7851 0.6669 0.7607 -0.0195 0.0052 0.0063 154 ARG A NH2 2623 N N . GLY B 140 ? 0.5047 0.4270 0.5110 -0.0268 0.0079 0.0138 155 GLY A N 2624 C CA . GLY B 140 ? 0.5199 0.4355 0.5195 -0.0359 0.0059 0.0153 155 GLY A CA 2625 C C . GLY B 140 ? 0.5426 0.4431 0.5306 -0.0358 0.0089 0.0169 155 GLY A C 2626 O O . GLY B 140 ? 0.5274 0.4240 0.5131 -0.0278 0.0125 0.0170 155 GLY A O 2627 N N . GLY B 141 ? 0.5537 0.4461 0.5341 -0.0449 0.0073 0.0182 156 GLY A N 2628 C CA . GLY B 141 ? 0.5965 0.4708 0.5625 -0.0463 0.0099 0.0199 156 GLY A CA 2629 C C . GLY B 141 ? 0.5950 0.4776 0.5669 -0.0450 0.0128 0.0223 156 GLY A C 2630 O O . GLY B 141 ? 0.6581 0.5272 0.6194 -0.0412 0.0162 0.0234 156 GLY A O 2631 N N . TRP B 142 ? 0.5833 0.4872 0.5710 -0.0474 0.0116 0.0231 157 TRP A N 2632 C CA . TRP B 142 ? 0.5737 0.4857 0.5667 -0.0470 0.0142 0.0256 157 TRP A CA 2633 C C . TRP B 142 ? 0.5870 0.4948 0.5750 -0.0587 0.0135 0.0279 157 TRP A C 2634 O O . TRP B 142 ? 0.5513 0.4580 0.5377 -0.0676 0.0100 0.0275 157 TRP A O 2635 C CB . TRP B 142 ? 0.5438 0.4803 0.5551 -0.0433 0.0138 0.0255 157 TRP A CB 2636 C CG . TRP B 142 ? 0.5383 0.4792 0.5545 -0.0330 0.0148 0.0234 157 TRP A CG 2637 C CD1 . TRP B 142 ? 0.5212 0.4666 0.5420 -0.0303 0.0127 0.0209 157 TRP A CD1 2638 C CD2 . TRP B 142 ? 0.5144 0.4553 0.5307 -0.0244 0.0179 0.0235 157 TRP A CD2 2639 N NE1 . TRP B 142 ? 0.5222 0.4706 0.5464 -0.0213 0.0147 0.0196 157 TRP A NE1 2640 C CE2 . TRP B 142 ? 0.5307 0.4770 0.5526 -0.0175 0.0176 0.0211 157 TRP A CE2 2641 C CE3 . TRP B 142 ? 0.5200 0.4566 0.5317 -0.0218 0.0209 0.0255 157 TRP A CE3 2642 C CZ2 . TRP B 142 ? 0.5170 0.4662 0.5411 -0.0088 0.0198 0.0205 157 TRP A CZ2 2643 C CZ3 . TRP B 142 ? 0.5496 0.4888 0.5630 -0.0123 0.0229 0.0249 157 TRP A CZ3 2644 C CH2 . TRP B 142 ? 0.5086 0.4547 0.5287 -0.0062 0.0222 0.0223 157 TRP A CH2 2645 N N . ASP B 143 ? 0.6183 0.5237 0.6035 -0.0587 0.0169 0.0305 158 ASP A N 2646 C CA . ASP B 143 ? 0.6949 0.6027 0.6800 -0.0695 0.0171 0.0333 158 ASP A CA 2647 C C . ASP B 143 ? 0.6878 0.6238 0.6929 -0.0704 0.0161 0.0344 158 ASP A C 2648 O O . ASP B 143 ? 0.7226 0.6700 0.7363 -0.0618 0.0182 0.0346 158 ASP A O 2649 C CB . ASP B 143 ? 0.7423 0.6361 0.7159 -0.0671 0.0218 0.0357 158 ASP A CB 2650 C CG . ASP B 143 ? 0.7992 0.6877 0.7669 -0.0792 0.0228 0.0387 158 ASP A CG 2651 O OD1 . ASP B 143 ? 0.8110 0.7149 0.7893 -0.0889 0.0202 0.0396 158 ASP A OD1 2652 O OD2 . ASP B 143 ? 0.8449 0.7140 0.7973 -0.0789 0.0263 0.0403 158 ASP A OD2 2653 N N . TRP B 144 ? 0.7067 0.6538 0.7185 -0.0805 0.0129 0.0352 159 TRP A N 2654 C CA . TRP B 144 ? 0.7688 0.7435 0.7994 -0.0804 0.0117 0.0361 159 TRP A CA 2655 C C . TRP B 144 ? 0.9254 0.9133 0.9626 -0.0900 0.0127 0.0399 159 TRP A C 2656 O O . TRP B 144 ? 1.0638 1.0721 1.1137 -0.0943 0.0100 0.0407 159 TRP A O 2657 C CB . TRP B 144 ? 0.7399 0.7233 0.7768 -0.0816 0.0066 0.0337 159 TRP A CB 2658 C CG . TRP B 144 ? 0.6977 0.6819 0.7373 -0.0704 0.0062 0.0307 159 TRP A CG 2659 C CD1 . TRP B 144 ? 0.6944 0.6629 0.7246 -0.0671 0.0050 0.0279 159 TRP A CD1 2660 C CD2 . TRP B 144 ? 0.6903 0.6915 0.7424 -0.0613 0.0072 0.0303 159 TRP A CD2 2661 N NE1 . TRP B 144 ? 0.6999 0.6755 0.7368 -0.0571 0.0053 0.0258 159 TRP A NE1 2662 C CE2 . TRP B 144 ? 0.6556 0.6504 0.7054 -0.0537 0.0065 0.0271 159 TRP A CE2 2663 C CE3 . TRP B 144 ? 0.6688 0.6892 0.7329 -0.0589 0.0089 0.0324 159 TRP A CE3 2664 C CZ2 . TRP B 144 ? 0.6128 0.6189 0.6715 -0.0447 0.0071 0.0258 159 TRP A CZ2 2665 C CZ3 . TRP B 144 ? 0.6225 0.6533 0.6946 -0.0492 0.0094 0.0310 159 TRP A CZ3 2666 C CH2 . TRP B 144 ? 0.6337 0.6568 0.7027 -0.0426 0.0085 0.0277 159 TRP A CH2 2667 N N . SER B 145 ? 1.0041 0.9821 1.0335 -0.0926 0.0169 0.0426 160 SER A N 2668 C CA . SER B 145 ? 1.1317 1.1208 1.1662 -0.1031 0.0183 0.0464 160 SER A CA 2669 C C . SER B 145 ? 1.1744 1.1901 1.2260 -0.0987 0.0205 0.0489 160 SER A C 2670 O O . SER B 145 ? 1.1995 1.2332 1.2612 -0.1070 0.0198 0.0515 160 SER A O 2671 C CB . SER B 145 ? 1.1186 1.0856 1.1367 -0.1083 0.0222 0.0486 160 SER A CB 2672 O OG . SER B 145 ? 1.1258 1.0826 1.1376 -0.0963 0.0261 0.0482 160 SER A OG 2673 N N . GLN B 146 ? 1.2029 1.2220 1.2578 -0.0859 0.0230 0.0481 161 GLN A N 2674 C CA . GLN B 146 ? 1.1779 1.2193 1.2463 -0.0809 0.0255 0.0504 161 GLN A CA 2675 C C . GLN B 146 ? 1.1581 1.2194 1.2402 -0.0752 0.0222 0.0486 161 GLN A C 2676 O O . GLN B 146 ? 1.0558 1.1331 1.1473 -0.0681 0.0242 0.0498 161 GLN A O 2677 C CB . GLN B 146 ? 1.2343 1.2688 1.2980 -0.0703 0.0298 0.0506 161 GLN A CB 2678 C CG . GLN B 146 ? 1.2913 1.3001 1.3378 -0.0702 0.0322 0.0506 161 GLN A CG 2679 C CD . GLN B 146 ? 1.2874 1.2848 1.3247 -0.0832 0.0334 0.0533 161 GLN A CD 2680 O OE1 . GLN B 146 ? 1.2850 1.2895 1.3247 -0.0887 0.0367 0.0571 161 GLN A OE1 2681 N NE2 . GLN B 146 ? 1.2966 1.2753 1.3221 -0.0884 0.0310 0.0514 161 GLN A NE2 2682 N N . GLY B 147 ? 1.1215 1.1803 1.2032 -0.0775 0.0175 0.0458 162 GLY A N 2683 C CA . GLY B 147 ? 1.0777 1.1499 1.1688 -0.0702 0.0145 0.0435 162 GLY A CA 2684 C C . GLY B 147 ? 1.0573 1.1213 1.1452 -0.0579 0.0159 0.0407 162 GLY A C 2685 O O . GLY B 147 ? 1.0566 1.1297 1.1509 -0.0507 0.0144 0.0388 162 GLY A O 2686 N N . LYS B 148 ? 0.9227 0.9695 1.0003 -0.0556 0.0187 0.0405 163 LYS A N 2687 C CA . LYS B 148 ? 0.9118 0.9499 0.9855 -0.0453 0.0196 0.0378 163 LYS A CA 2688 C C . LYS B 148 ? 0.7243 0.7401 0.7843 -0.0478 0.0196 0.0366 163 LYS A C 2689 O O . LYS B 148 ? 0.7455 0.7516 0.7978 -0.0558 0.0205 0.0386 163 LYS A O 2690 C CB . LYS B 148 ? 1.0063 1.0484 1.0813 -0.0387 0.0236 0.0394 163 LYS A CB 2691 C CG . LYS B 148 ? 1.0867 1.1502 1.1735 -0.0369 0.0245 0.0415 163 LYS A CG 2692 C CD . LYS B 148 ? 1.1026 1.1775 1.1975 -0.0323 0.0214 0.0391 163 LYS A CD 2693 C CE . LYS B 148 ? 1.0733 1.1689 1.1787 -0.0294 0.0225 0.0414 163 LYS A CE 2694 N NZ . LYS B 148 ? 1.0999 1.2090 1.2117 -0.0381 0.0224 0.0449 163 LYS A NZ 2695 N N . ASN B 149 ? 0.6489 0.6564 0.7054 -0.0411 0.0186 0.0335 164 ASN A N 2696 C CA . ASN B 149 ? 0.5683 0.5550 0.6117 -0.0416 0.0186 0.0321 164 ASN A CA 2697 C C . ASN B 149 ? 0.5795 0.5547 0.6139 -0.0377 0.0223 0.0335 164 ASN A C 2698 O O . ASN B 149 ? 0.5285 0.5114 0.5676 -0.0308 0.0243 0.0339 164 ASN A O 2699 C CB . ASN B 149 ? 0.5749 0.5590 0.6187 -0.0347 0.0170 0.0286 164 ASN A CB 2700 C CG . ASN B 149 ? 0.5313 0.5256 0.5827 -0.0252 0.0183 0.0276 164 ASN A CG 2701 O OD1 . ASN B 149 ? 0.4883 0.4980 0.5493 -0.0243 0.0183 0.0285 164 ASN A OD1 2702 N ND2 . ASN B 149 ? 0.5222 0.5081 0.5688 -0.0184 0.0194 0.0259 164 ASN A ND2 2703 N N . ARG B 150 ? 0.5585 0.5143 0.5788 -0.0417 0.0232 0.0341 165 ARG A N 2704 C CA . ARG B 150 ? 0.6082 0.5493 0.6168 -0.0368 0.0267 0.0352 165 ARG A CA 2705 C C . ARG B 150 ? 0.5531 0.4751 0.5488 -0.0335 0.0264 0.0333 165 ARG A C 2706 O O . ARG B 150 ? 0.5434 0.4593 0.5358 -0.0384 0.0239 0.0319 165 ARG A O 2707 C CB . ARG B 150 ? 0.7297 0.6624 0.7301 -0.0449 0.0290 0.0387 165 ARG A CB 2708 C CG . ARG B 150 ? 0.8079 0.7599 0.8207 -0.0494 0.0297 0.0411 165 ARG A CG 2709 C CD . ARG B 150 ? 0.9667 0.9097 0.9705 -0.0553 0.0334 0.0449 165 ARG A CD 2710 N NE . ARG B 150 ? 1.0777 1.0095 1.0731 -0.0682 0.0324 0.0460 165 ARG A NE 2711 C CZ . ARG B 150 ? 1.1482 1.0651 1.1310 -0.0752 0.0354 0.0489 165 ARG A CZ 2712 N NH1 . ARG B 150 ? 1.2019 1.1126 1.1782 -0.0702 0.0399 0.0511 165 ARG A NH1 2713 N NH2 . ARG B 150 ? 1.2099 1.1170 1.1853 -0.0879 0.0338 0.0494 165 ARG A NH2 2714 N N . CYS B 151 ? 0.5351 0.4477 0.5229 -0.0250 0.0290 0.0334 166 CYS A N 2715 C CA . CYS B 151 ? 0.6029 0.4970 0.5771 -0.0205 0.0297 0.0322 166 CYS A CA 2716 C C . CYS B 151 ? 0.6767 0.5500 0.6347 -0.0293 0.0300 0.0336 166 CYS A C 2717 O O . CYS B 151 ? 0.7047 0.5726 0.6570 -0.0346 0.0319 0.0362 166 CYS A O 2718 C CB . CYS B 151 ? 0.6061 0.4955 0.5747 -0.0096 0.0326 0.0327 166 CYS A CB 2719 S SG . CYS B 151 ? 0.6516 0.5630 0.6371 0.0002 0.0315 0.0305 166 CYS A SG 2720 N N . PRO B 152 ? 0.6946 0.5555 0.6444 -0.0315 0.0283 0.0318 167 PRO A N 2721 C CA . PRO B 152 ? 0.7206 0.5593 0.6528 -0.0405 0.0284 0.0329 167 PRO A CA 2722 C C . PRO B 152 ? 0.7425 0.5582 0.6550 -0.0350 0.0325 0.0346 167 PRO A C 2723 O O . PRO B 152 ? 0.6689 0.4859 0.5812 -0.0230 0.0347 0.0345 167 PRO A O 2724 C CB . PRO B 152 ? 0.7291 0.5603 0.6570 -0.0421 0.0254 0.0303 167 PRO A CB 2725 C CG . PRO B 152 ? 0.7281 0.5688 0.6642 -0.0301 0.0259 0.0282 167 PRO A CG 2726 C CD . PRO B 152 ? 0.6916 0.5546 0.6446 -0.0253 0.0267 0.0289 167 PRO A CD 2727 N N . LYS B 153 ? 0.8212 0.6165 0.7170 -0.0439 0.0333 0.0363 168 LYS A N 2728 C CA . LYS B 153 ? 0.8448 0.6143 0.7182 -0.0392 0.0374 0.0381 168 LYS A CA 2729 C C . LYS B 153 ? 0.8297 0.5863 0.6924 -0.0272 0.0384 0.0364 168 LYS A C 2730 O O . LYS B 153 ? 0.8337 0.5876 0.6958 -0.0284 0.0360 0.0341 168 LYS A O 2731 C CB . LYS B 153 ? 0.9275 0.6742 0.7828 -0.0525 0.0376 0.0397 168 LYS A CB 2732 C CG . LYS B 153 ? 0.9498 0.7078 0.8135 -0.0641 0.0378 0.0422 168 LYS A CG 2733 C CD . LYS B 153 ? 0.9972 0.7313 0.8417 -0.0781 0.0381 0.0437 168 LYS A CD 2734 C CE . LYS B 153 ? 1.0360 0.7840 0.8907 -0.0908 0.0384 0.0465 168 LYS A CE 2735 N NZ . LYS B 153 ? 1.0999 0.8248 0.9359 -0.1060 0.0386 0.0480 168 LYS A NZ 2736 N N . GLY B 154 ? 0.8164 0.5675 0.6721 -0.0149 0.0421 0.0376 169 GLY A N 2737 C CA . GLY B 154 ? 0.8387 0.5810 0.6857 -0.0017 0.0436 0.0364 169 GLY A CA 2738 C C . GLY B 154 ? 0.8366 0.6036 0.7036 0.0076 0.0424 0.0344 169 GLY A C 2739 O O . GLY B 154 ? 0.8655 0.6288 0.7273 0.0194 0.0443 0.0340 169 GLY A O 2740 N N . ALA B 155 ? 0.7996 0.5917 0.6888 0.0026 0.0395 0.0332 170 ALA A N 2741 C CA . ALA B 155 ? 0.7366 0.5517 0.6444 0.0102 0.0383 0.0313 170 ALA A CA 2742 C C . ALA B 155 ? 0.7401 0.5675 0.6548 0.0186 0.0400 0.0325 170 ALA A C 2743 O O . ALA B 155 ? 0.7185 0.5587 0.6434 0.0144 0.0393 0.0333 170 ALA A O 2744 C CB . ALA B 155 ? 0.7215 0.5555 0.6475 0.0018 0.0346 0.0296 170 ALA A CB 2745 N N . GLN B 156 ? 0.6926 0.5163 0.6011 0.0308 0.0422 0.0326 171 GLN A N 2746 C CA . GLN B 156 ? 0.6855 0.5198 0.5985 0.0401 0.0434 0.0336 171 GLN A CA 2747 C C . GLN B 156 ? 0.6285 0.4904 0.5642 0.0417 0.0409 0.0317 171 GLN A C 2748 O O . GLN B 156 ? 0.5714 0.4425 0.5162 0.0427 0.0395 0.0295 171 GLN A O 2749 C CB . GLN B 156 ? 0.7465 0.5724 0.6484 0.0532 0.0459 0.0341 171 GLN A CB 2750 C CG . GLN B 156 ? 0.8724 0.6711 0.7495 0.0568 0.0493 0.0366 171 GLN A CG 2751 C CD . GLN B 156 ? 0.9630 0.7627 0.8346 0.0722 0.0515 0.0376 171 GLN A CD 2752 O OE1 . GLN B 156 ? 1.0569 0.8568 0.9269 0.0801 0.0524 0.0369 171 GLN A OE1 2753 N NE2 . GLN B 156 ? 0.9920 0.7949 0.8623 0.0769 0.0523 0.0394 171 GLN A NE2 2754 N N . CYS B 157 ? 0.5974 0.4708 0.5405 0.0423 0.0406 0.0325 172 CYS A N 2755 C CA . CYS B 157 ? 0.6044 0.5016 0.5661 0.0450 0.0383 0.0307 172 CYS A CA 2756 C C . CYS B 157 ? 0.5854 0.4888 0.5479 0.0569 0.0388 0.0300 172 CYS A C 2757 O O . CYS B 157 ? 0.5786 0.4756 0.5313 0.0646 0.0406 0.0318 172 CYS A O 2758 C CB . CYS B 157 ? 0.5860 0.4918 0.5532 0.0425 0.0380 0.0319 172 CYS A CB 2759 S SG . CYS B 157 ? 0.5961 0.5046 0.5697 0.0286 0.0368 0.0322 172 CYS A SG 2760 N N . LEU B 158 ? 0.5258 0.4416 0.4996 0.0583 0.0373 0.0277 173 LEU A N 2761 C CA . LEU B 158 ? 0.5431 0.4681 0.5203 0.0685 0.0376 0.0270 173 LEU A CA 2762 C C . LEU B 158 ? 0.5308 0.4781 0.5270 0.0671 0.0349 0.0243 173 LEU A C 2763 O O . LEU B 158 ? 0.4836 0.4366 0.4885 0.0589 0.0331 0.0230 173 LEU A O 2764 C CB . LEU B 158 ? 0.5802 0.4927 0.5472 0.0726 0.0399 0.0272 173 LEU A CB 2765 C CG . LEU B 158 ? 0.6364 0.5232 0.5818 0.0735 0.0427 0.0297 173 LEU A CG 2766 C CD1 . LEU B 158 ? 0.6548 0.5279 0.5897 0.0763 0.0448 0.0296 173 LEU A CD1 2767 C CD2 . LEU B 158 ? 0.6798 0.5618 0.6150 0.0831 0.0445 0.0320 173 LEU A CD2 2768 N N . PRO B 159 ? 0.5251 0.4852 0.5273 0.0750 0.0346 0.0236 174 PRO A N 2769 C CA . PRO B 159 ? 0.4990 0.4786 0.5179 0.0725 0.0320 0.0210 174 PRO A CA 2770 C C . PRO B 159 ? 0.4740 0.4538 0.4985 0.0660 0.0319 0.0192 174 PRO A C 2771 O O . PRO B 159 ? 0.4564 0.4243 0.4729 0.0665 0.0340 0.0198 174 PRO A O 2772 C CB . PRO B 159 ? 0.5158 0.5076 0.5385 0.0818 0.0320 0.0209 174 PRO A CB 2773 C CG . PRO B 159 ? 0.5303 0.5121 0.5397 0.0897 0.0336 0.0235 174 PRO A CG 2774 C CD . PRO B 159 ? 0.5383 0.4973 0.5330 0.0863 0.0362 0.0252 174 PRO A CD 2775 N N . PHE B 160 ? 0.4240 0.4156 0.4607 0.0603 0.0295 0.0171 175 PHE A N 2776 C CA . PHE B 160 ? 0.4110 0.4041 0.4534 0.0550 0.0293 0.0154 175 PHE A CA 2777 C C . PHE B 160 ? 0.4392 0.4336 0.4814 0.0599 0.0314 0.0151 175 PHE A C 2778 O O . PHE B 160 ? 0.4385 0.4234 0.4760 0.0580 0.0329 0.0151 175 PHE A O 2779 C CB . PHE B 160 ? 0.3804 0.3876 0.4355 0.0506 0.0267 0.0130 175 PHE A CB 2780 C CG . PHE B 160 ? 0.4049 0.4092 0.4608 0.0437 0.0253 0.0129 175 PHE A CG 2781 C CD1 . PHE B 160 ? 0.3976 0.3975 0.4486 0.0430 0.0252 0.0146 175 PHE A CD1 2782 C CD2 . PHE B 160 ? 0.4143 0.4210 0.4757 0.0382 0.0244 0.0112 175 PHE A CD2 2783 C CE1 . PHE B 160 ? 0.4196 0.4193 0.4725 0.0369 0.0241 0.0148 175 PHE A CE1 2784 C CE2 . PHE B 160 ? 0.4191 0.4250 0.4817 0.0329 0.0231 0.0113 175 PHE A CE2 2785 C CZ . PHE B 160 ? 0.3829 0.3863 0.4419 0.0322 0.0230 0.0131 175 PHE A CZ 2786 N N . SER B 161 ? 0.4333 0.4399 0.4804 0.0664 0.0315 0.0151 176 SER A N 2787 C CA . SER B 161 ? 0.4851 0.4957 0.5332 0.0719 0.0339 0.0153 176 SER A CA 2788 C C . SER B 161 ? 0.4879 0.4806 0.5210 0.0766 0.0372 0.0175 176 SER A C 2789 O O . SER B 161 ? 0.5065 0.4983 0.5385 0.0794 0.0397 0.0176 176 SER A O 2790 C CB . SER B 161 ? 0.4915 0.5195 0.5470 0.0786 0.0331 0.0154 176 SER A CB 2791 O OG . SER B 161 ? 0.5320 0.5563 0.5802 0.0839 0.0325 0.0170 176 SER A OG 2792 N N . HIS B 162 ? 0.5188 0.4962 0.5393 0.0773 0.0376 0.0192 177 HIS A N 2793 C CA . HIS B 162 ? 0.5522 0.5086 0.5559 0.0802 0.0406 0.0210 177 HIS A CA 2794 C C . HIS B 162 ? 0.5400 0.4849 0.5405 0.0720 0.0405 0.0199 177 HIS A C 2795 O O . HIS B 162 ? 0.5888 0.5245 0.5821 0.0743 0.0429 0.0202 177 HIS A O 2796 C CB . HIS B 162 ? 0.5999 0.5412 0.5893 0.0825 0.0411 0.0232 177 HIS A CB 2797 C CG . HIS B 162 ? 0.6991 0.6157 0.6693 0.0834 0.0439 0.0247 177 HIS A CG 2798 N ND1 . HIS B 162 ? 0.7537 0.6617 0.7124 0.0935 0.0473 0.0263 177 HIS A ND1 2799 C CD2 . HIS B 162 ? 0.7196 0.6183 0.6797 0.0754 0.0436 0.0249 177 HIS A CD2 2800 C CE1 . HIS B 162 ? 0.7510 0.6347 0.6918 0.0917 0.0490 0.0272 177 HIS A CE1 2801 N NE2 . HIS B 162 ? 0.7818 0.6597 0.7234 0.0802 0.0466 0.0263 177 HIS A NE2 2802 N N . TYR B 163 ? 0.5032 0.4478 0.5076 0.0629 0.0378 0.0190 178 TYR A N 2803 C CA . TYR B 163 ? 0.5052 0.4393 0.5061 0.0551 0.0371 0.0181 178 TYR A CA 2804 C C . TYR B 163 ? 0.5037 0.4483 0.5157 0.0522 0.0365 0.0159 178 TYR A C 2805 O O . TYR B 163 ? 0.4733 0.4087 0.4808 0.0482 0.0365 0.0153 178 TYR A O 2806 C CB . TYR B 163 ? 0.5186 0.4501 0.5199 0.0468 0.0346 0.0182 178 TYR A CB 2807 C CG . TYR B 163 ? 0.5206 0.4349 0.5068 0.0467 0.0357 0.0205 178 TYR A CG 2808 C CD1 . TYR B 163 ? 0.4972 0.4140 0.4828 0.0487 0.0357 0.0219 178 TYR A CD1 2809 C CD2 . TYR B 163 ? 0.5637 0.4578 0.5349 0.0442 0.0367 0.0211 178 TYR A CD2 2810 C CE1 . TYR B 163 ? 0.5337 0.4333 0.5043 0.0480 0.0371 0.0242 178 TYR A CE1 2811 C CE2 . TYR B 163 ? 0.5695 0.4459 0.5254 0.0430 0.0377 0.0231 178 TYR A CE2 2812 C CZ . TYR B 163 ? 0.5841 0.4631 0.5397 0.0449 0.0381 0.0247 178 TYR A CZ 2813 O OH . TYR B 163 ? 0.5682 0.4281 0.5073 0.0432 0.0396 0.0269 178 TYR A OH 2814 N N . PHE B 164 ? 0.4515 0.4145 0.4772 0.0537 0.0358 0.0147 179 PHE A N 2815 C CA . PHE B 164 ? 0.4281 0.4011 0.4640 0.0510 0.0356 0.0128 179 PHE A CA 2816 C C . PHE B 164 ? 0.4145 0.3991 0.4557 0.0581 0.0378 0.0130 179 PHE A C 2817 O O . PHE B 164 ? 0.3932 0.3937 0.4453 0.0587 0.0364 0.0122 179 PHE A O 2818 C CB . PHE B 164 ? 0.4243 0.4086 0.4713 0.0450 0.0324 0.0111 179 PHE A CB 2819 C CG . PHE B 164 ? 0.4171 0.3932 0.4604 0.0384 0.0303 0.0112 179 PHE A CG 2820 C CD1 . PHE B 164 ? 0.4438 0.4223 0.4881 0.0368 0.0286 0.0120 179 PHE A CD1 2821 C CD2 . PHE B 164 ? 0.4240 0.3909 0.4630 0.0340 0.0301 0.0107 179 PHE A CD2 2822 C CE1 . PHE B 164 ? 0.4347 0.4080 0.4768 0.0306 0.0269 0.0124 179 PHE A CE1 2823 C CE2 . PHE B 164 ? 0.4199 0.3817 0.4566 0.0278 0.0278 0.0108 179 PHE A CE2 2824 C CZ . PHE B 164 ? 0.4340 0.3996 0.4727 0.0259 0.0264 0.0118 179 PHE A CZ 2825 N N . PRO B 165 ? 0.4300 0.4068 0.4633 0.0636 0.0412 0.0141 180 PRO A N 2826 C CA . PRO B 165 ? 0.4447 0.4343 0.4833 0.0713 0.0437 0.0149 180 PRO A CA 2827 C C . PRO B 165 ? 0.4284 0.4365 0.4825 0.0678 0.0431 0.0131 180 PRO A C 2828 O O . PRO B 165 ? 0.4711 0.4956 0.5340 0.0716 0.0431 0.0132 180 PRO A O 2829 C CB . PRO B 165 ? 0.4618 0.4380 0.4882 0.0769 0.0478 0.0164 180 PRO A CB 2830 C CG . PRO B 165 ? 0.4768 0.4306 0.4885 0.0733 0.0471 0.0167 180 PRO A CG 2831 C CD . PRO B 165 ? 0.4448 0.4011 0.4632 0.0635 0.0429 0.0150 180 PRO A CD 2832 N N . THR B 166 ? 0.4028 0.4081 0.4597 0.0605 0.0424 0.0113 181 THR A N 2833 C CA . THR B 166 ? 0.4004 0.4204 0.4700 0.0564 0.0422 0.0096 181 THR A CA 2834 C C . THR B 166 ? 0.3813 0.4016 0.4555 0.0481 0.0386 0.0074 181 THR A C 2835 O O . THR B 166 ? 0.3810 0.3894 0.4485 0.0450 0.0369 0.0074 181 THR A O 2836 C CB . THR B 166 ? 0.3980 0.4153 0.4665 0.0567 0.0460 0.0096 181 THR A CB 2837 O OG1 . THR B 166 ? 0.3826 0.3845 0.4435 0.0518 0.0454 0.0088 181 THR A OG1 2838 C CG2 . THR B 166 ? 0.4294 0.4432 0.4906 0.0658 0.0501 0.0120 181 THR A CG2 2839 N N . PRO B 167 ? 0.3788 0.4126 0.4638 0.0444 0.0376 0.0057 182 PRO A N 2840 C CA . PRO B 167 ? 0.3623 0.3953 0.4503 0.0374 0.0348 0.0037 182 PRO A CA 2841 C C . PRO B 167 ? 0.3548 0.3740 0.4360 0.0339 0.0354 0.0033 182 PRO A C 2842 O O . PRO B 167 ? 0.3592 0.3725 0.4377 0.0305 0.0328 0.0029 182 PRO A O 2843 C CB . PRO B 167 ? 0.3741 0.4210 0.4723 0.0345 0.0351 0.0021 182 PRO A CB 2844 C CG . PRO B 167 ? 0.3742 0.4338 0.4772 0.0400 0.0357 0.0032 182 PRO A CG 2845 C CD . PRO B 167 ? 0.3647 0.4156 0.4594 0.0466 0.0387 0.0056 182 PRO A CD 2846 N N . ALA B 168 ? 0.3366 0.3507 0.4144 0.0352 0.0387 0.0038 183 ALA A N 2847 C CA . ALA B 168 ? 0.3408 0.3410 0.4107 0.0325 0.0390 0.0035 183 ALA A CA 2848 C C . ALA B 168 ? 0.3576 0.3458 0.4186 0.0327 0.0370 0.0045 183 ALA A C 2849 O O . ALA B 168 ? 0.3856 0.3674 0.4436 0.0285 0.0348 0.0038 183 ALA A O 2850 C CB . ALA B 168 ? 0.3626 0.3580 0.4284 0.0351 0.0433 0.0042 183 ALA A CB 2851 N N . ASP B 169 ? 0.3926 0.3780 0.4488 0.0373 0.0378 0.0062 184 ASP A N 2852 C CA . ASP B 169 ? 0.3991 0.3719 0.4458 0.0365 0.0360 0.0072 184 ASP A CA 2853 C C . ASP B 169 ? 0.3780 0.3550 0.4292 0.0317 0.0323 0.0065 184 ASP A C 2854 O O . ASP B 169 ? 0.3450 0.3144 0.3918 0.0274 0.0302 0.0065 184 ASP A O 2855 C CB . ASP B 169 ? 0.4150 0.3839 0.4552 0.0427 0.0377 0.0091 184 ASP A CB 2856 C CG . ASP B 169 ? 0.4665 0.4292 0.4998 0.0487 0.0418 0.0102 184 ASP A CG 2857 O OD1 . ASP B 169 ? 0.4675 0.4170 0.4919 0.0474 0.0427 0.0101 184 ASP A OD1 2858 O OD2 . ASP B 169 ? 0.5240 0.4956 0.5607 0.0550 0.0440 0.0112 184 ASP A OD2 2859 N N . LEU B 170 ? 0.3544 0.3446 0.4147 0.0324 0.0314 0.0061 185 LEU A N 2860 C CA . LEU B 170 ? 0.3483 0.3433 0.4126 0.0291 0.0283 0.0057 185 LEU A CA 2861 C C . LEU B 170 ? 0.3540 0.3493 0.4209 0.0241 0.0267 0.0042 185 LEU A C 2862 O O . LEU B 170 ? 0.3216 0.3131 0.3861 0.0210 0.0247 0.0046 185 LEU A O 2863 C CB . LEU B 170 ? 0.3803 0.3881 0.4521 0.0315 0.0277 0.0053 185 LEU A CB 2864 C CG . LEU B 170 ? 0.3716 0.3850 0.4473 0.0291 0.0250 0.0049 185 LEU A CG 2865 C CD1 . LEU B 170 ? 0.4378 0.4435 0.5073 0.0283 0.0243 0.0067 185 LEU A CD1 2866 C CD2 . LEU B 170 ? 0.4141 0.4385 0.4952 0.0322 0.0242 0.0045 185 LEU A CD2 2867 N N . CYS B 171 ? 0.3491 0.3488 0.4205 0.0234 0.0277 0.0026 186 CYS A N 2868 C CA . CYS B 171 ? 0.3816 0.3802 0.4539 0.0195 0.0266 0.0012 186 CYS A CA 2869 C C . CYS B 171 ? 0.3664 0.3541 0.4314 0.0177 0.0259 0.0016 186 CYS A C 2870 O O . CYS B 171 ? 0.3708 0.3580 0.4356 0.0150 0.0237 0.0013 186 CYS A O 2871 C CB . CYS B 171 ? 0.4267 0.4286 0.5024 0.0190 0.0287 -0.0002 186 CYS A CB 2872 S SG . CYS B 171 ? 0.6120 0.6259 0.6960 0.0175 0.0273 -0.0019 186 CYS A SG 2873 N N . GLU B 172 ? 0.3420 0.3213 0.4006 0.0194 0.0278 0.0024 187 GLU A N 2874 C CA . GLU B 172 ? 0.3981 0.3658 0.4484 0.0175 0.0271 0.0025 187 GLU A CA 2875 C C . GLU B 172 ? 0.3538 0.3155 0.3988 0.0152 0.0246 0.0038 187 GLU A C 2876 O O . GLU B 172 ? 0.4124 0.3702 0.4545 0.0117 0.0221 0.0036 187 GLU A O 2877 C CB . GLU B 172 ? 0.3917 0.3512 0.4358 0.0203 0.0304 0.0027 187 GLU A CB 2878 C CG . GLU B 172 ? 0.4217 0.3868 0.4710 0.0207 0.0328 0.0015 187 GLU A CG 2879 C CD . GLU B 172 ? 0.4465 0.4059 0.4911 0.0238 0.0370 0.0019 187 GLU A CD 2880 O OE1 . GLU B 172 ? 0.4622 0.4130 0.4989 0.0267 0.0381 0.0031 187 GLU A OE1 2881 O OE2 . GLU B 172 ? 0.4590 0.4219 0.5069 0.0234 0.0394 0.0011 187 GLU A OE2 2882 N N . LYS B 173 ? 0.3534 0.3143 0.3967 0.0171 0.0252 0.0051 188 LYS A N 2883 C CA . LYS B 173 ? 0.4298 0.3825 0.4660 0.0144 0.0235 0.0065 188 LYS A CA 2884 C C . LYS B 173 ? 0.4361 0.3967 0.4776 0.0117 0.0213 0.0074 188 LYS A C 2885 O O . LYS B 173 ? 0.5189 0.4738 0.5553 0.0088 0.0202 0.0087 188 LYS A O 2886 C CB . LYS B 173 ? 0.4646 0.4075 0.4920 0.0183 0.0260 0.0079 188 LYS A CB 2887 C CG . LYS B 173 ? 0.5082 0.4402 0.5271 0.0210 0.0283 0.0075 188 LYS A CG 2888 C CD . LYS B 173 ? 0.5660 0.4891 0.5759 0.0266 0.0314 0.0090 188 LYS A CD 2889 C CE . LYS B 173 ? 0.6421 0.5622 0.6490 0.0318 0.0350 0.0087 188 LYS A CE 2890 N NZ . LYS B 173 ? 0.7675 0.6754 0.7622 0.0379 0.0381 0.0103 188 LYS A NZ 2891 N N . THR B 174 ? 0.3834 0.3565 0.4345 0.0126 0.0210 0.0067 189 THR A N 2892 C CA . THR B 174 ? 0.3608 0.3412 0.4163 0.0104 0.0191 0.0076 189 THR A CA 2893 C C . THR B 174 ? 0.3576 0.3415 0.4156 0.0067 0.0167 0.0072 189 THR A C 2894 O O . THR B 174 ? 0.3819 0.3702 0.4419 0.0038 0.0150 0.0084 189 THR A O 2895 C CB . THR B 174 ? 0.3610 0.3523 0.4239 0.0135 0.0197 0.0072 189 THR A CB 2896 O OG1 . THR B 174 ? 0.3353 0.3316 0.4030 0.0147 0.0200 0.0052 189 THR A OG1 2897 C CG2 . THR B 174 ? 0.3511 0.3404 0.4114 0.0176 0.0216 0.0081 189 THR A CG2 2898 N N . TRP B 175 ? 0.3406 0.3230 0.3985 0.0070 0.0166 0.0056 190 TRP A N 2899 C CA . TRP B 175 ? 0.3385 0.3247 0.3985 0.0048 0.0143 0.0051 190 TRP A CA 2900 C C . TRP B 175 ? 0.3320 0.3090 0.3852 0.0028 0.0131 0.0045 190 TRP A C 2901 O O . TRP B 175 ? 0.3250 0.3035 0.3786 0.0026 0.0117 0.0036 190 TRP A O 2902 C CB . TRP B 175 ? 0.3430 0.3357 0.4081 0.0075 0.0150 0.0035 190 TRP A CB 2903 C CG . TRP B 175 ? 0.3353 0.3377 0.4062 0.0086 0.0146 0.0039 190 TRP A CG 2904 C CD1 . TRP B 175 ? 0.3291 0.3356 0.4030 0.0106 0.0158 0.0041 190 TRP A CD1 2905 C CD2 . TRP B 175 ? 0.3554 0.3646 0.4291 0.0084 0.0129 0.0043 190 TRP A CD2 2906 N NE1 . TRP B 175 ? 0.3536 0.3680 0.4314 0.0113 0.0149 0.0044 190 TRP A NE1 2907 C CE2 . TRP B 175 ? 0.3420 0.3583 0.4198 0.0103 0.0134 0.0047 190 TRP A CE2 2908 C CE3 . TRP B 175 ? 0.3558 0.3663 0.4287 0.0074 0.0109 0.0045 190 TRP A CE3 2909 C CZ2 . TRP B 175 ? 0.3616 0.3854 0.4420 0.0115 0.0125 0.0053 190 TRP A CZ2 2910 C CZ3 . TRP B 175 ? 0.3565 0.3757 0.4327 0.0088 0.0099 0.0053 190 TRP A CZ3 2911 C CH2 . TRP B 175 ? 0.3496 0.3751 0.4294 0.0109 0.0109 0.0057 190 TRP A CH2 2912 N N . SER B 176 ? 0.3280 0.2945 0.3736 0.0016 0.0136 0.0051 191 SER A N 2913 C CA . SER B 176 ? 0.3472 0.3035 0.3846 -0.0010 0.0118 0.0048 191 SER A CA 2914 C C . SER B 176 ? 0.3401 0.2928 0.3753 0.0012 0.0126 0.0031 191 SER A C 2915 O O . SER B 176 ? 0.3051 0.2561 0.3376 -0.0005 0.0100 0.0025 191 SER A O 2916 C CB . SER B 176 ? 0.3964 0.3573 0.4350 -0.0063 0.0078 0.0057 191 SER A CB 2917 O OG . SER B 176 ? 0.4859 0.4373 0.5161 -0.0095 0.0053 0.0052 191 SER A OG 2918 N N . ASN B 177 ? 0.3254 0.2774 0.3617 0.0052 0.0162 0.0024 192 ASN A N 2919 C CA . ASN B 177 ? 0.3438 0.2923 0.3782 0.0074 0.0180 0.0010 192 ASN A CA 2920 C C . ASN B 177 ? 0.3282 0.2832 0.3669 0.0073 0.0167 0.0000 192 ASN A C 2921 O O . ASN B 177 ? 0.3291 0.2788 0.3637 0.0083 0.0175 -0.0009 192 ASN A O 2922 C CB . ASN B 177 ? 0.3937 0.3281 0.4168 0.0071 0.0181 0.0008 192 ASN A CB 2923 C CG . ASN B 177 ? 0.4432 0.3687 0.4597 0.0085 0.0202 0.0018 192 ASN A CG 2924 O OD1 . ASN B 177 ? 0.4873 0.4135 0.5051 0.0123 0.0241 0.0020 192 ASN A OD1 2925 N ND2 . ASN B 177 ? 0.4889 0.4064 0.4981 0.0053 0.0176 0.0024 192 ASN A ND2 2926 N N . SER B 178 ? 0.3100 0.2754 0.3557 0.0066 0.0149 0.0004 193 SER A N 2927 C CA . SER B 178 ? 0.2920 0.2633 0.3413 0.0079 0.0145 -0.0003 193 SER A CA 2928 C C . SER B 178 ? 0.2995 0.2702 0.3502 0.0098 0.0181 -0.0016 193 SER A C 2929 O O . SER B 178 ? 0.2887 0.2569 0.3373 0.0107 0.0189 -0.0027 193 SER A O 2930 C CB . SER B 178 ? 0.3187 0.3011 0.3747 0.0076 0.0127 0.0005 193 SER A CB 2931 O OG . SER B 178 ? 0.3299 0.3151 0.3855 0.0053 0.0094 0.0017 193 SER A OG 2932 N N . PHE B 179 ? 0.2633 0.2360 0.3172 0.0104 0.0203 -0.0013 194 PHE A N 2933 C CA . PHE B 179 ? 0.2829 0.2575 0.3396 0.0115 0.0235 -0.0023 194 PHE A CA 2934 C C . PHE B 179 ? 0.2803 0.2493 0.3338 0.0127 0.0265 -0.0019 194 PHE A C 2935 O O . PHE B 179 ? 0.2710 0.2360 0.3212 0.0133 0.0263 -0.0008 194 PHE A O 2936 C CB . PHE B 179 ? 0.2671 0.2517 0.3312 0.0119 0.0233 -0.0022 194 PHE A CB 2937 C CG . PHE B 179 ? 0.2937 0.2840 0.3603 0.0115 0.0206 -0.0021 194 PHE A CG 2938 C CD1 . PHE B 179 ? 0.2801 0.2689 0.3445 0.0115 0.0195 -0.0029 194 PHE A CD1 2939 C CD2 . PHE B 179 ? 0.2995 0.2962 0.3700 0.0119 0.0194 -0.0010 194 PHE A CD2 2940 C CE1 . PHE B 179 ? 0.2948 0.2895 0.3613 0.0123 0.0175 -0.0025 194 PHE A CE1 2941 C CE2 . PHE B 179 ? 0.3187 0.3210 0.3914 0.0121 0.0175 -0.0007 194 PHE A CE2 2942 C CZ . PHE B 179 ? 0.2988 0.3004 0.3696 0.0125 0.0165 -0.0013 194 PHE A CZ 2943 N N . LYS B 180 ? 0.3156 0.2839 0.3695 0.0129 0.0297 -0.0028 195 LYS A N 2944 C CA . LYS B 180 ? 0.3503 0.3168 0.4034 0.0147 0.0335 -0.0023 195 LYS A CA 2945 C C . LYS B 180 ? 0.3505 0.3282 0.4122 0.0146 0.0354 -0.0027 195 LYS A C 2946 O O . LYS B 180 ? 0.3545 0.3364 0.4197 0.0123 0.0349 -0.0039 195 LYS A O 2947 C CB . LYS B 180 ? 0.4120 0.3695 0.4586 0.0145 0.0360 -0.0028 195 LYS A CB 2948 C CG . LYS B 180 ? 0.4748 0.4313 0.5208 0.0165 0.0410 -0.0021 195 LYS A CG 2949 C CD . LYS B 180 ? 0.5767 0.5206 0.6129 0.0173 0.0431 -0.0021 195 LYS A CD 2950 C CE . LYS B 180 ? 0.6762 0.6165 0.7102 0.0150 0.0435 -0.0033 195 LYS A CE 2951 N NZ . LYS B 180 ? 0.7838 0.7288 0.8222 0.0134 0.0481 -0.0036 195 LYS A NZ 2952 N N . ALA B 181 ? 0.3391 0.3212 0.4034 0.0172 0.0375 -0.0016 196 ALA A N 2953 C CA . ALA B 181 ? 0.3739 0.3681 0.4467 0.0172 0.0392 -0.0019 196 ALA A CA 2954 C C . ALA B 181 ? 0.4020 0.3962 0.4754 0.0159 0.0433 -0.0022 196 ALA A C 2955 O O . ALA B 181 ? 0.3857 0.3770 0.4562 0.0188 0.0468 -0.0010 196 ALA A O 2956 C CB . ALA B 181 ? 0.3902 0.3898 0.4651 0.0215 0.0398 -0.0003 196 ALA A CB 2957 N N . SER B 182 ? 0.4006 0.3969 0.4765 0.0117 0.0433 -0.0038 197 SER A N 2958 C CA . SER B 182 ? 0.3726 0.3685 0.4487 0.0094 0.0475 -0.0040 197 SER A CA 2959 C C . SER B 182 ? 0.3793 0.3894 0.4646 0.0097 0.0502 -0.0033 197 SER A C 2960 O O . SER B 182 ? 0.3412 0.3626 0.4338 0.0094 0.0478 -0.0036 197 SER A O 2961 C CB . SER B 182 ? 0.4052 0.3983 0.4803 0.0043 0.0466 -0.0059 197 SER A CB 2962 O OG . SER B 182 ? 0.4207 0.4117 0.4948 0.0013 0.0511 -0.0061 197 SER A OG 2963 N N . PRO B 183 ? 0.4180 0.4283 0.5030 0.0103 0.0552 -0.0022 198 PRO A N 2964 C CA . PRO B 183 ? 0.4210 0.4473 0.5161 0.0094 0.0580 -0.0015 198 PRO A CA 2965 C C . PRO B 183 ? 0.4092 0.4421 0.5100 0.0016 0.0580 -0.0033 198 PRO A C 2966 O O . PRO B 183 ? 0.4646 0.5131 0.5752 -0.0005 0.0589 -0.0031 198 PRO A O 2967 C CB . PRO B 183 ? 0.4528 0.4757 0.5443 0.0129 0.0639 0.0004 198 PRO A CB 2968 C CG . PRO B 183 ? 0.4531 0.4576 0.5330 0.0119 0.0645 -0.0001 198 PRO A CG 2969 C CD . PRO B 183 ? 0.4340 0.4307 0.5094 0.0119 0.0586 -0.0014 198 PRO A CD 2970 N N . GLU B 184 ? 0.3936 0.4144 0.4876 -0.0024 0.0567 -0.0050 199 GLU A N 2971 C CA . GLU B 184 ? 0.4043 0.4272 0.5004 -0.0099 0.0562 -0.0070 199 GLU A CA 2972 C C . GLU B 184 ? 0.4062 0.4368 0.5072 -0.0113 0.0508 -0.0085 199 GLU A C 2973 O O . GLU B 184 ? 0.3018 0.3312 0.4016 -0.0068 0.0472 -0.0083 199 GLU A O 2974 C CB . GLU B 184 ? 0.4160 0.4209 0.5006 -0.0124 0.0568 -0.0080 199 GLU A CB 2975 C CG . GLU B 184 ? 0.4652 0.4608 0.5434 -0.0110 0.0622 -0.0066 199 GLU A CG 2976 C CD . GLU B 184 ? 0.4928 0.4927 0.5741 -0.0170 0.0675 -0.0063 199 GLU A CD 2977 O OE1 . GLU B 184 ? 0.5754 0.5665 0.6505 -0.0164 0.0723 -0.0052 199 GLU A OE1 2978 O OE2 . GLU B 184 ? 0.5218 0.5337 0.6115 -0.0226 0.0668 -0.0072 199 GLU A OE2 2979 N N . ARG B 185 ? 0.3800 0.4183 0.4860 -0.0180 0.0504 -0.0100 200 ARG A N 2980 C CA . ARG B 185 ? 0.3866 0.4324 0.4967 -0.0200 0.0455 -0.0117 200 ARG A CA 2981 C C . ARG B 185 ? 0.3472 0.3801 0.4486 -0.0244 0.0433 -0.0140 200 ARG A C 2982 O O . ARG B 185 ? 0.3349 0.3539 0.4275 -0.0265 0.0457 -0.0144 200 ARG A O 2983 C CB . ARG B 185 ? 0.4428 0.5072 0.5643 -0.0243 0.0457 -0.0119 200 ARG A CB 2984 C CG . ARG B 185 ? 0.5025 0.5806 0.6323 -0.0194 0.0488 -0.0093 200 ARG A CG 2985 C CD . ARG B 185 ? 0.5511 0.6511 0.6934 -0.0217 0.0474 -0.0093 200 ARG A CD 2986 N NE . ARG B 185 ? 0.6509 0.7580 0.7961 -0.0151 0.0431 -0.0090 200 ARG A NE 2987 C CZ . ARG B 185 ? 0.6912 0.8059 0.8397 -0.0169 0.0380 -0.0107 200 ARG A CZ 2988 N NH1 . ARG B 185 ? 0.7605 0.8774 0.9102 -0.0257 0.0358 -0.0132 200 ARG A NH1 2989 N NH2 . ARG B 185 ? 0.6893 0.8085 0.8388 -0.0097 0.0350 -0.0098 200 ARG A NH2 2990 N N . ARG B 186 ? 0.3292 0.3659 0.4318 -0.0250 0.0387 -0.0155 201 ARG A N 2991 C CA . ARG B 186 ? 0.3644 0.3886 0.4577 -0.0280 0.0365 -0.0177 201 ARG A CA 2992 C C . ARG B 186 ? 0.3975 0.4169 0.4875 -0.0367 0.0390 -0.0192 201 ARG A C 2993 O O . ARG B 186 ? 0.3689 0.4005 0.4674 -0.0416 0.0408 -0.0190 201 ARG A O 2994 C CB . ARG B 186 ? 0.3626 0.3933 0.4581 -0.0274 0.0315 -0.0190 201 ARG A CB 2995 C CG . ARG B 186 ? 0.3910 0.4198 0.4847 -0.0197 0.0289 -0.0179 201 ARG A CG 2996 C CD . ARG B 186 ? 0.3946 0.4301 0.4904 -0.0193 0.0245 -0.0191 201 ARG A CD 2997 N NE . ARG B 186 ? 0.3990 0.4321 0.4924 -0.0126 0.0225 -0.0179 201 ARG A NE 2998 C CZ . ARG B 186 ? 0.4582 0.4904 0.5484 -0.0110 0.0192 -0.0187 201 ARG A CZ 2999 N NH1 . ARG B 186 ? 0.4127 0.4431 0.5012 -0.0051 0.0182 -0.0172 201 ARG A NH1 3000 N NH2 . ARG B 186 ? 0.4600 0.4923 0.5480 -0.0153 0.0170 -0.0211 201 ARG A NH2 3001 N N . ASN B 187 ? 0.3861 0.3879 0.4635 -0.0384 0.0394 -0.0205 202 ASN A N 3002 C CA . ASN B 187 ? 0.4503 0.4424 0.5209 -0.0466 0.0423 -0.0219 202 ASN A CA 3003 C C . ASN B 187 ? 0.4606 0.4519 0.5326 -0.0488 0.0482 -0.0202 202 ASN A C 3004 O O . ASN B 187 ? 0.4854 0.4707 0.5532 -0.0565 0.0514 -0.0210 202 ASN A O 3005 C CB . ASN B 187 ? 0.4617 0.4620 0.5364 -0.0549 0.0399 -0.0240 202 ASN A CB 3006 C CG . ASN B 187 ? 0.4869 0.4840 0.5568 -0.0528 0.0344 -0.0259 202 ASN A CG 3007 O OD1 . ASN B 187 ? 0.5025 0.4823 0.5589 -0.0510 0.0338 -0.0269 202 ASN A OD1 3008 N ND2 . ASN B 187 ? 0.4863 0.4996 0.5662 -0.0520 0.0307 -0.0261 202 ASN A ND2 3009 N N . SER B 188 ? 0.4299 0.4261 0.5065 -0.0421 0.0500 -0.0178 203 SER A N 3010 C CA . SER B 188 ? 0.4127 0.4042 0.4873 -0.0421 0.0557 -0.0160 203 SER A CA 3011 C C . SER B 188 ? 0.4129 0.3823 0.4719 -0.0404 0.0574 -0.0163 203 SER A C 3012 O O . SER B 188 ? 0.4564 0.4179 0.5104 -0.0420 0.0624 -0.0153 203 SER A O 3013 C CB . SER B 188 ? 0.4067 0.4076 0.4885 -0.0347 0.0568 -0.0136 203 SER A CB 3014 O OG . SER B 188 ? 0.3904 0.3837 0.4669 -0.0271 0.0537 -0.0132 203 SER A OG 3015 N N . GLY B 189 ? 0.4063 0.3661 0.4574 -0.0364 0.0534 -0.0174 204 GLY A N 3016 C CA . GLY B 189 ? 0.4176 0.3588 0.4546 -0.0324 0.0543 -0.0172 204 GLY A CA 3017 C C . GLY B 189 ? 0.4268 0.3667 0.4634 -0.0250 0.0548 -0.0152 204 GLY A C 3018 O O . GLY B 189 ? 0.4394 0.3653 0.4648 -0.0212 0.0550 -0.0150 204 GLY A O 3019 N N . ARG B 190 ? 0.4202 0.3740 0.4678 -0.0225 0.0546 -0.0138 205 ARG A N 3020 C CA . ARG B 190 ? 0.4437 0.3957 0.4902 -0.0163 0.0552 -0.0120 205 ARG A CA 3021 C C . ARG B 190 ? 0.4242 0.3830 0.4753 -0.0108 0.0504 -0.0115 205 ARG A C 3022 O O . ARG B 190 ? 0.3778 0.3353 0.4279 -0.0063 0.0504 -0.0101 205 ARG A O 3023 C CB . ARG B 190 ? 0.4808 0.4407 0.5339 -0.0171 0.0598 -0.0104 205 ARG A CB 3024 C CG . ARG B 190 ? 0.5649 0.5191 0.6142 -0.0225 0.0655 -0.0102 205 ARG A CG 3025 C CD . ARG B 190 ? 0.6164 0.5506 0.6506 -0.0210 0.0670 -0.0104 205 ARG A CD 3026 N NE . ARG B 190 ? 0.7343 0.6617 0.7637 -0.0255 0.0734 -0.0098 205 ARG A NE 3027 C CZ . ARG B 190 ? 0.7929 0.7192 0.8214 -0.0234 0.0782 -0.0079 205 ARG A CZ 3028 N NH1 . ARG B 190 ? 0.8216 0.7416 0.8455 -0.0281 0.0843 -0.0072 205 ARG A NH1 3029 N NH2 . ARG B 190 ? 0.7389 0.6693 0.7701 -0.0168 0.0773 -0.0065 205 ARG A NH2 3030 N N . CYS B 191 ? 0.3957 0.3606 0.4506 -0.0114 0.0466 -0.0125 206 CYS A N 3031 C CA . CYS B 191 ? 0.3822 0.3538 0.4414 -0.0068 0.0426 -0.0118 206 CYS A CA 3032 C C . CYS B 191 ? 0.3732 0.3442 0.4305 -0.0068 0.0388 -0.0131 206 CYS A C 3033 O O . CYS B 191 ? 0.3576 0.3260 0.4124 -0.0108 0.0390 -0.0147 206 CYS A O 3034 C CB . CYS B 191 ? 0.3806 0.3667 0.4508 -0.0067 0.0428 -0.0110 206 CYS A CB 3035 S SG . CYS B 191 ? 0.3830 0.3809 0.4613 -0.0128 0.0428 -0.0125 206 CYS A SG 3036 N N . LEU B 192 ? 0.3255 0.2984 0.3833 -0.0024 0.0354 -0.0123 207 LEU A N 3037 C CA . LEU B 192 ? 0.3215 0.2947 0.3774 -0.0010 0.0321 -0.0131 207 LEU A CA 3038 C C . LEU B 192 ? 0.3185 0.3041 0.3831 -0.0011 0.0298 -0.0131 207 LEU A C 3039 O O . LEU B 192 ? 0.3202 0.3137 0.3915 0.0000 0.0300 -0.0119 207 LEU A O 3040 C CB . LEU B 192 ? 0.3304 0.2995 0.3817 0.0036 0.0299 -0.0120 207 LEU A CB 3041 C CG . LEU B 192 ? 0.3505 0.3069 0.3913 0.0050 0.0309 -0.0121 207 LEU A CG 3042 C CD1 . LEU B 192 ? 0.3406 0.2920 0.3791 0.0052 0.0331 -0.0112 207 LEU A CD1 3043 C CD2 . LEU B 192 ? 0.3859 0.3412 0.4226 0.0095 0.0279 -0.0115 207 LEU A CD2 3044 N N . GLN B 193 ? 0.2906 0.2766 0.3536 -0.0019 0.0278 -0.0144 208 GLN A N 3045 C CA . GLN B 193 ? 0.2881 0.2841 0.3572 -0.0008 0.0252 -0.0143 208 GLN A CA 3046 C C . GLN B 193 ? 0.2781 0.2738 0.3452 0.0040 0.0230 -0.0130 208 GLN A C 3047 O O . GLN B 193 ? 0.2938 0.2820 0.3538 0.0058 0.0227 -0.0132 208 GLN A O 3048 C CB . GLN B 193 ? 0.2928 0.2882 0.3596 -0.0042 0.0241 -0.0166 208 GLN A CB 3049 C CG . GLN B 193 ? 0.3085 0.3075 0.3791 -0.0103 0.0258 -0.0178 208 GLN A CG 3050 C CD . GLN B 193 ? 0.3250 0.3221 0.3922 -0.0151 0.0243 -0.0204 208 GLN A CD 3051 O OE1 . GLN B 193 ? 0.3596 0.3536 0.4252 -0.0211 0.0261 -0.0217 208 GLN A OE1 3052 N NE2 . GLN B 193 ? 0.3258 0.3246 0.3914 -0.0129 0.0211 -0.0210 208 GLN A NE2 3053 N N . LYS B 194 ? 0.2686 0.2729 0.3418 0.0061 0.0215 -0.0116 209 LYS A N 3054 C CA . LYS B 194 ? 0.2958 0.3016 0.3681 0.0098 0.0196 -0.0102 209 LYS A CA 3055 C C . LYS B 194 ? 0.2985 0.3056 0.3686 0.0110 0.0179 -0.0111 209 LYS A C 3056 O O . LYS B 194 ? 0.3012 0.3100 0.3703 0.0143 0.0167 -0.0098 209 LYS A O 3057 C CB . LYS B 194 ? 0.2878 0.3001 0.3656 0.0114 0.0191 -0.0082 209 LYS A CB 3058 C CG . LYS B 194 ? 0.2794 0.2997 0.3624 0.0116 0.0184 -0.0082 209 LYS A CG 3059 C CD . LYS B 194 ? 0.2811 0.3053 0.3667 0.0140 0.0178 -0.0060 209 LYS A CD 3060 C CE . LYS B 194 ? 0.2833 0.3149 0.3732 0.0151 0.0174 -0.0058 209 LYS A CE 3061 N NZ . LYS B 194 ? 0.3314 0.3668 0.4217 0.0146 0.0158 -0.0076 209 LYS A NZ 3062 N N . TRP B 195 ? 0.2964 0.3035 0.3660 0.0082 0.0177 -0.0132 210 TRP A N 3063 C CA . TRP B 195 ? 0.3184 0.3241 0.3835 0.0091 0.0160 -0.0144 210 TRP A CA 3064 C C . TRP B 195 ? 0.3191 0.3201 0.3806 0.0042 0.0162 -0.0171 210 TRP A C 3065 O O . TRP B 195 ? 0.3295 0.3335 0.3956 0.0000 0.0173 -0.0178 210 TRP A O 3066 C CB . TRP B 195 ? 0.3102 0.3254 0.3806 0.0112 0.0141 -0.0135 210 TRP A CB 3067 C CG . TRP B 195 ? 0.3410 0.3543 0.4057 0.0139 0.0126 -0.0140 210 TRP A CG 3068 C CD1 . TRP B 195 ? 0.3518 0.3645 0.4134 0.0187 0.0126 -0.0122 210 TRP A CD1 3069 C CD2 . TRP B 195 ? 0.3651 0.3769 0.4260 0.0121 0.0109 -0.0164 210 TRP A CD2 3070 N NE1 . TRP B 195 ? 0.3612 0.3716 0.4169 0.0207 0.0114 -0.0132 210 TRP A NE1 3071 C CE2 . TRP B 195 ? 0.3500 0.3587 0.4043 0.0167 0.0101 -0.0159 210 TRP A CE2 3072 C CE3 . TRP B 195 ? 0.3539 0.3672 0.4162 0.0069 0.0098 -0.0188 210 TRP A CE3 3073 C CZ2 . TRP B 195 ? 0.3605 0.3656 0.4082 0.0164 0.0083 -0.0180 210 TRP A CZ2 3074 C CZ3 . TRP B 195 ? 0.3715 0.3819 0.4278 0.0058 0.0075 -0.0210 210 TRP A CZ3 3075 C CH2 . TRP B 195 ? 0.3876 0.3930 0.4360 0.0107 0.0067 -0.0207 210 TRP A CH2 3076 N N . PHE B 196 ? 0.3271 0.3202 0.3796 0.0046 0.0153 -0.0186 211 PHE A N 3077 C CA . PHE B 196 ? 0.3680 0.3549 0.4152 -0.0009 0.0151 -0.0215 211 PHE A CA 3078 C C . PHE B 196 ? 0.3843 0.3657 0.4229 0.0007 0.0130 -0.0229 211 PHE A C 3079 O O . PHE B 196 ? 0.3392 0.3182 0.3732 0.0069 0.0128 -0.0216 211 PHE A O 3080 C CB . PHE B 196 ? 0.3574 0.3316 0.3968 -0.0035 0.0178 -0.0222 211 PHE A CB 3081 C CG . PHE B 196 ? 0.3477 0.3121 0.3778 0.0023 0.0187 -0.0211 211 PHE A CG 3082 C CD1 . PHE B 196 ? 0.3837 0.3516 0.4177 0.0064 0.0195 -0.0187 211 PHE A CD1 3083 C CD2 . PHE B 196 ? 0.3786 0.3305 0.3953 0.0042 0.0185 -0.0225 211 PHE A CD2 3084 C CE1 . PHE B 196 ? 0.3668 0.3283 0.3933 0.0122 0.0199 -0.0175 211 PHE A CE1 3085 C CE2 . PHE B 196 ? 0.3955 0.3400 0.4037 0.0109 0.0193 -0.0212 211 PHE A CE2 3086 C CZ . PHE B 196 ? 0.3862 0.3369 0.4003 0.0148 0.0199 -0.0186 211 PHE A CZ 3087 N N . GLU B 197 ? 0.4013 0.3804 0.4369 -0.0049 0.0116 -0.0256 212 GLU A N 3088 C CA . GLU B 197 ? 0.4636 0.4358 0.4892 -0.0040 0.0093 -0.0274 212 GLU A CA 3089 C C . GLU B 197 ? 0.4643 0.4183 0.4740 -0.0013 0.0111 -0.0279 212 GLU A C 3090 O O . GLU B 197 ? 0.5031 0.4468 0.5068 -0.0050 0.0131 -0.0289 212 GLU A O 3091 C CB . GLU B 197 ? 0.5339 0.5093 0.5611 -0.0119 0.0068 -0.0303 212 GLU A CB 3092 C CG . GLU B 197 ? 0.6126 0.5870 0.6338 -0.0108 0.0032 -0.0319 212 GLU A CG 3093 C CD . GLU B 197 ? 0.5782 0.5655 0.6077 -0.0046 0.0017 -0.0298 212 GLU A CD 3094 O OE1 . GLU B 197 ? 0.6418 0.6437 0.6842 -0.0057 0.0011 -0.0288 212 GLU A OE1 3095 O OE2 . GLU B 197 ? 0.7432 0.7257 0.7654 0.0017 0.0014 -0.0290 212 GLU A OE2 3096 N N . PRO B 198 ? 0.5070 0.4574 0.5097 0.0062 0.0107 -0.0269 213 PRO A N 3097 C CA . PRO B 198 ? 0.5765 0.5110 0.5638 0.0111 0.0124 -0.0269 213 PRO A CA 3098 C C . PRO B 198 ? 0.6462 0.5621 0.6182 0.0056 0.0129 -0.0301 213 PRO A C 3099 O O . PRO B 198 ? 0.6500 0.5534 0.6129 0.0064 0.0154 -0.0300 213 PRO A O 3100 C CB . PRO B 198 ? 0.5736 0.5094 0.5564 0.0184 0.0112 -0.0260 213 PRO A CB 3101 C CG . PRO B 198 ? 0.5404 0.4948 0.5392 0.0194 0.0101 -0.0239 213 PRO A CG 3102 C CD . PRO B 198 ? 0.5062 0.4682 0.5154 0.0112 0.0090 -0.0253 213 PRO A CD 3103 N N . ALA B 199 ? 0.6626 0.5763 0.6315 -0.0003 0.0103 -0.0328 214 ALA A N 3104 C CA . ALA B 199 ? 0.6804 0.5753 0.6335 -0.0067 0.0104 -0.0361 214 ALA A CA 3105 C C . ALA B 199 ? 0.6984 0.5891 0.6532 -0.0145 0.0129 -0.0367 214 ALA A C 3106 O O . ALA B 199 ? 0.7127 0.5843 0.6517 -0.0179 0.0144 -0.0384 214 ALA A O 3107 C CB . ALA B 199 ? 0.6825 0.5783 0.6338 -0.0130 0.0065 -0.0390 214 ALA A CB 3108 N N . GLN B 200 ? 0.6684 0.5755 0.6406 -0.0170 0.0136 -0.0351 215 GLN A N 3109 C CA . GLN B 200 ? 0.6513 0.5563 0.6262 -0.0249 0.0162 -0.0356 215 GLN A CA 3110 C C . GLN B 200 ? 0.6345 0.5311 0.6049 -0.0203 0.0201 -0.0336 215 GLN A C 3111 O O . GLN B 200 ? 0.6691 0.5615 0.6395 -0.0260 0.0228 -0.0338 215 GLN A O 3112 C CB . GLN B 200 ? 0.7503 0.6765 0.7451 -0.0299 0.0154 -0.0349 215 GLN A CB 3113 C CG . GLN B 200 ? 0.8323 0.7731 0.8360 -0.0312 0.0112 -0.0357 215 GLN A CG 3114 C CD . GLN B 200 ? 0.8767 0.8083 0.8692 -0.0367 0.0081 -0.0391 215 GLN A CD 3115 O OE1 . GLN B 200 ? 0.9127 0.8495 0.9055 -0.0338 0.0046 -0.0397 215 GLN A OE1 3116 N NE2 . GLN B 200 ? 0.8907 0.8079 0.8724 -0.0451 0.0093 -0.0414 215 GLN A NE2 3117 N N . GLY B 201 ? 0.6054 0.5005 0.5724 -0.0100 0.0204 -0.0315 216 GLY A N 3118 C CA . GLY B 201 ? 0.6004 0.4886 0.5629 -0.0051 0.0234 -0.0296 216 GLY A CA 3119 C C . GLY B 201 ? 0.5278 0.4314 0.5068 -0.0054 0.0242 -0.0275 216 GLY A C 3120 O O . GLY B 201 ? 0.4802 0.3973 0.4726 -0.0107 0.0234 -0.0276 216 GLY A O 3121 N N . ASN B 202 ? 0.5192 0.4200 0.4958 0.0008 0.0257 -0.0255 217 ASN A N 3122 C CA . ASN B 202 ? 0.4903 0.4041 0.4801 0.0021 0.0261 -0.0233 217 ASN A CA 3123 C C . ASN B 202 ? 0.4823 0.3943 0.4752 -0.0046 0.0288 -0.0237 217 ASN A C 3124 O O . ASN B 202 ? 0.4769 0.3750 0.4592 -0.0047 0.0314 -0.0238 217 ASN A O 3125 C CB . ASN B 202 ? 0.4882 0.4002 0.4740 0.0109 0.0262 -0.0211 217 ASN A CB 3126 C CG . ASN B 202 ? 0.4515 0.3777 0.4507 0.0125 0.0256 -0.0188 217 ASN A CG 3127 O OD1 . ASN B 202 ? 0.4345 0.3658 0.4420 0.0074 0.0266 -0.0189 217 ASN A OD1 3128 N ND2 . ASN B 202 ? 0.4127 0.3456 0.4142 0.0193 0.0240 -0.0168 217 ASN A ND2 3129 N N . PRO B 203 ? 0.4332 0.3593 0.4402 -0.0093 0.0285 -0.0235 218 PRO A N 3130 C CA . PRO B 203 ? 0.4586 0.3845 0.4691 -0.0152 0.0316 -0.0235 218 PRO A CA 3131 C C . PRO B 203 ? 0.4471 0.3744 0.4605 -0.0110 0.0333 -0.0213 218 PRO A C 3132 O O . PRO B 203 ? 0.4676 0.3939 0.4830 -0.0147 0.0363 -0.0210 218 PRO A O 3133 C CB . PRO B 203 ? 0.4296 0.3722 0.4543 -0.0199 0.0302 -0.0238 218 PRO A CB 3134 C CG . PRO B 203 ? 0.4177 0.3713 0.4495 -0.0134 0.0271 -0.0225 218 PRO A CG 3135 C CD . PRO B 203 ? 0.4287 0.3720 0.4490 -0.0080 0.0257 -0.0227 218 PRO A CD 3136 N N . ASN B 204 ? 0.4047 0.3345 0.4183 -0.0036 0.0314 -0.0197 219 ASN A N 3137 C CA . ASN B 204 ? 0.3726 0.3037 0.3885 -0.0003 0.0322 -0.0178 219 ASN A CA 3138 C C . ASN B 204 ? 0.3671 0.2828 0.3696 0.0024 0.0340 -0.0177 219 ASN A C 3139 O O . ASN B 204 ? 0.3515 0.2652 0.3536 0.0039 0.0353 -0.0166 219 ASN A O 3140 C CB . ASN B 204 ? 0.3479 0.2902 0.3713 0.0049 0.0291 -0.0161 219 ASN A CB 3141 C CG . ASN B 204 ? 0.3476 0.3041 0.3834 0.0026 0.0278 -0.0159 219 ASN A CG 3142 O OD1 . ASN B 204 ? 0.3226 0.2830 0.3639 -0.0021 0.0293 -0.0164 219 ASN A OD1 3143 N ND2 . ASN B 204 ? 0.3211 0.2857 0.3612 0.0063 0.0250 -0.0148 219 ASN A ND2 3144 N N . VAL B 205 ? 0.4035 0.3072 0.3938 0.0034 0.0342 -0.0189 220 VAL A N 3145 C CA . VAL B 205 ? 0.4407 0.3280 0.4159 0.0070 0.0361 -0.0188 220 VAL A CA 3146 C C . VAL B 205 ? 0.4297 0.3089 0.4019 0.0024 0.0400 -0.0189 220 VAL A C 3147 O O . VAL B 205 ? 0.3928 0.2665 0.3601 0.0062 0.0410 -0.0177 220 VAL A O 3148 C CB . VAL B 205 ? 0.4864 0.3595 0.4470 0.0080 0.0364 -0.0204 220 VAL A CB 3149 C CG1 . VAL B 205 ? 0.5320 0.3854 0.4750 0.0111 0.0391 -0.0204 220 VAL A CG1 3150 C CG2 . VAL B 205 ? 0.4797 0.3593 0.4410 0.0148 0.0331 -0.0198 220 VAL A CG2 3151 N N . ALA B 206 ? 0.4379 0.3177 0.4137 -0.0059 0.0422 -0.0201 221 ALA A N 3152 C CA . ALA B 206 ? 0.4695 0.3425 0.4428 -0.0111 0.0467 -0.0200 221 ALA A CA 3153 C C . ALA B 206 ? 0.4530 0.3354 0.4358 -0.0092 0.0474 -0.0182 221 ALA A C 3154 O O . ALA B 206 ? 0.4774 0.3512 0.4545 -0.0098 0.0509 -0.0175 221 ALA A O 3155 C CB . ALA B 206 ? 0.4839 0.3596 0.4615 -0.0210 0.0486 -0.0215 221 ALA A CB 3156 N N . VAL B 207 ? 0.4104 0.3090 0.4063 -0.0071 0.0443 -0.0174 222 VAL A N 3157 C CA . VAL B 207 ? 0.3912 0.2983 0.3956 -0.0058 0.0448 -0.0158 222 VAL A CA 3158 C C . VAL B 207 ? 0.3826 0.2830 0.3798 0.0008 0.0436 -0.0146 222 VAL A C 3159 O O . VAL B 207 ? 0.3963 0.2918 0.3907 0.0013 0.0459 -0.0137 222 VAL A O 3160 C CB . VAL B 207 ? 0.3846 0.3093 0.4036 -0.0059 0.0421 -0.0153 222 VAL A CB 3161 C CG1 . VAL B 207 ? 0.3773 0.3081 0.4028 -0.0046 0.0433 -0.0137 222 VAL A CG1 3162 C CG2 . VAL B 207 ? 0.4022 0.3340 0.4276 -0.0123 0.0428 -0.0166 222 VAL A CG2 3163 N N . ALA B 208 ? 0.3738 0.2742 0.3678 0.0059 0.0399 -0.0145 223 ALA A N 3164 C CA . ALA B 208 ? 0.3809 0.2760 0.3678 0.0120 0.0383 -0.0135 223 ALA A CA 3165 C C . ALA B 208 ? 0.4172 0.2949 0.3896 0.0128 0.0417 -0.0137 223 ALA A C 3166 O O . ALA B 208 ? 0.4419 0.3151 0.4101 0.0153 0.0421 -0.0129 223 ALA A O 3167 C CB . ALA B 208 ? 0.4082 0.3073 0.3939 0.0176 0.0343 -0.0131 223 ALA A CB 3168 N N . ARG B 209 ? 0.4402 0.3070 0.4035 0.0105 0.0440 -0.0150 224 ARG A N 3169 C CA . ARG B 209 ? 0.4772 0.3251 0.4247 0.0109 0.0478 -0.0152 224 ARG A CA 3170 C C . ARG B 209 ? 0.4756 0.3210 0.4246 0.0067 0.0519 -0.0147 224 ARG A C 3171 O O . ARG B 209 ? 0.4902 0.3247 0.4293 0.0099 0.0536 -0.0140 224 ARG A O 3172 C CB . ARG B 209 ? 0.5266 0.3632 0.4648 0.0071 0.0499 -0.0169 224 ARG A CB 3173 C CG . ARG B 209 ? 0.5948 0.4092 0.5142 0.0072 0.0541 -0.0171 224 ARG A CG 3174 C CD . ARG B 209 ? 0.6199 0.4225 0.5295 0.0030 0.0556 -0.0189 224 ARG A CD 3175 N NE . ARG B 209 ? 0.6693 0.4486 0.5593 0.0023 0.0601 -0.0191 224 ARG A NE 3176 C CZ . ARG B 209 ? 0.6627 0.4254 0.5383 -0.0006 0.0620 -0.0206 224 ARG A CZ 3177 N NH1 . ARG B 209 ? 0.7087 0.4487 0.5654 -0.0011 0.0664 -0.0206 224 ARG A NH1 3178 N NH2 . ARG B 209 ? 0.6488 0.4160 0.5275 -0.0032 0.0595 -0.0221 224 ARG A NH2 3179 N N . LEU B 210 ? 0.4782 0.3343 0.4394 0.0002 0.0535 -0.0149 225 LEU A N 3180 C CA . LEU B 210 ? 0.4793 0.3354 0.4432 -0.0030 0.0578 -0.0140 225 LEU A CA 3181 C C . LEU B 210 ? 0.5018 0.3603 0.4668 0.0025 0.0561 -0.0126 225 LEU A C 3182 O O . LEU B 210 ? 0.5154 0.3630 0.4715 0.0039 0.0591 -0.0119 225 LEU A O 3183 C CB . LEU B 210 ? 0.4991 0.3701 0.4778 -0.0096 0.0591 -0.0142 225 LEU A CB 3184 C CG . LEU B 210 ? 0.5087 0.3838 0.4929 -0.0121 0.0635 -0.0129 225 LEU A CG 3185 C CD1 . LEU B 210 ? 0.5611 0.4211 0.5338 -0.0156 0.0695 -0.0127 225 LEU A CD1 3186 C CD2 . LEU B 210 ? 0.5180 0.4108 0.5178 -0.0171 0.0638 -0.0129 225 LEU A CD2 3187 N N . PHE B 211 ? 0.4687 0.3399 0.4431 0.0055 0.0514 -0.0122 226 PHE A N 3188 C CA . PHE B 211 ? 0.4754 0.3485 0.4504 0.0098 0.0494 -0.0110 226 PHE A CA 3189 C C . PHE B 211 ? 0.4876 0.3502 0.4503 0.0157 0.0470 -0.0108 226 PHE A C 3190 O O . PHE B 211 ? 0.5338 0.3918 0.4919 0.0182 0.0469 -0.0100 226 PHE A O 3191 C CB . PHE B 211 ? 0.4616 0.3505 0.4497 0.0102 0.0454 -0.0106 226 PHE A CB 3192 C CG . PHE B 211 ? 0.4701 0.3683 0.4688 0.0061 0.0481 -0.0103 226 PHE A CG 3193 C CD1 . PHE B 211 ? 0.4755 0.3821 0.4822 0.0019 0.0486 -0.0110 226 PHE A CD1 3194 C CD2 . PHE B 211 ? 0.5441 0.4422 0.5437 0.0068 0.0501 -0.0092 226 PHE A CD2 3195 C CE1 . PHE B 211 ? 0.4851 0.4021 0.5019 -0.0011 0.0509 -0.0106 226 PHE A CE1 3196 C CE2 . PHE B 211 ? 0.5392 0.4466 0.5482 0.0042 0.0529 -0.0086 226 PHE A CE2 3197 C CZ . PHE B 211 ? 0.5427 0.4605 0.5609 0.0002 0.0532 -0.0093 226 PHE A CZ 3198 N N . ALA B 212 ? 0.4971 0.3557 0.4536 0.0184 0.0451 -0.0113 227 ALA A N 3199 C CA . ALA B 212 ? 0.5517 0.4005 0.4956 0.0249 0.0431 -0.0110 227 ALA A CA 3200 C C . ALA B 212 ? 0.6348 0.4657 0.5645 0.0249 0.0480 -0.0109 227 ALA A C 3201 O O . ALA B 212 ? 0.6281 0.4512 0.5481 0.0300 0.0469 -0.0104 227 ALA A O 3202 C CB . ALA B 212 ? 0.5706 0.4184 0.5097 0.0288 0.0408 -0.0114 227 ALA A CB 3203 N N . SER B 213 ? 0.6778 0.5031 0.6067 0.0190 0.0535 -0.0115 228 SER A N 3204 C CA . SER B 213 ? 0.7483 0.5562 0.6637 0.0179 0.0591 -0.0112 228 SER A CA 3205 C C . SER B 213 ? 0.8199 0.6264 0.7351 0.0185 0.0611 -0.0101 228 SER A C 3206 O O . SER B 213 ? 0.8669 0.6581 0.7686 0.0202 0.0646 -0.0096 228 SER A O 3207 C CB . SER B 213 ? 0.7218 0.5257 0.6376 0.0099 0.0645 -0.0120 228 SER A CB 3208 O OG . SER B 213 ? 0.6929 0.5064 0.6204 0.0041 0.0679 -0.0114 228 SER A OG 3209 N N . GLU B 214 ? 0.8770 0.6979 0.8056 0.0174 0.0591 -0.0097 229 GLU A N 3210 C CA . GLU B 214 ? 0.9726 0.7920 0.9006 0.0183 0.0609 -0.0087 229 GLU A CA 3211 C C . GLU B 214 ? 1.0358 0.8484 0.9612 0.0139 0.0688 -0.0080 229 GLU A C 3212 O O . GLU B 214 ? 0.9835 0.7851 0.8991 0.0161 0.0719 -0.0071 229 GLU A O 3213 C CB . GLU B 214 ? 0.9804 0.7896 0.8958 0.0250 0.0576 -0.0083 229 GLU A CB 3214 C CG . GLU B 214 ? 1.0181 0.8360 0.9368 0.0291 0.0499 -0.0087 229 GLU A CG 3215 C CD . GLU B 214 ? 1.0697 0.8784 0.9754 0.0356 0.0464 -0.0085 229 GLU A CD 3216 O OE1 . GLU B 214 ? 1.0761 0.8939 0.9860 0.0382 0.0400 -0.0084 229 GLU A OE1 3217 O OE2 . GLU B 214 ? 1.0832 0.8758 0.9742 0.0381 0.0497 -0.0083 229 GLU A OE2 3218 N N . PHE B 215 ? 1.1034 0.9231 1.0375 0.0075 0.0719 -0.0083 230 PHE A N 3219 C CA . PHE B 215 ? 1.1238 0.9438 1.0608 0.0019 0.0791 -0.0074 230 PHE A CA 3220 C C . PHE B 215 ? 1.1828 1.0106 1.1266 0.0036 0.0807 -0.0060 230 PHE A C 3221 O O . PHE B 215 ? 1.1699 1.0071 1.1208 0.0068 0.0759 -0.0060 230 PHE A O 3222 C CB . PHE B 215 ? 1.1139 0.9459 1.0628 -0.0052 0.0799 -0.0083 230 PHE A CB 3223 C CG . PHE B 215 ? 1.0984 0.9503 1.0643 -0.0055 0.0765 -0.0082 230 PHE A CG 3224 C CD1 . PHE B 215 ? 1.0840 0.9479 1.0610 -0.0087 0.0805 -0.0071 230 PHE A CD1 3225 C CD2 . PHE B 215 ? 1.0369 0.8956 1.0071 -0.0017 0.0696 -0.0089 230 PHE A CD2 3226 C CE1 . PHE B 215 ? 1.0367 0.9177 1.0277 -0.0079 0.0775 -0.0068 230 PHE A CE1 3227 C CE2 . PHE B 215 ? 0.9961 0.8713 0.9803 -0.0017 0.0669 -0.0087 230 PHE A CE2 3228 C CZ . PHE B 215 ? 0.9917 0.8774 0.9858 -0.0045 0.0707 -0.0077 230 PHE A CZ 3229 N N . LEU B 216 ? 1.1908 1.0145 1.1320 0.0015 0.0879 -0.0046 231 LEU A N 3230 C CA . LEU B 216 ? 1.1663 0.9970 1.1131 0.0035 0.0905 -0.0030 231 LEU A CA 3231 C C . LEU B 216 ? 1.1278 0.9656 1.0816 -0.0020 0.0983 -0.0016 231 LEU A C 3232 O O . LEU B 216 ? 1.0701 0.9247 1.0380 -0.0033 0.0990 -0.0009 231 LEU A O 3233 C CB . LEU B 216 ? 1.1626 0.9783 1.0949 0.0101 0.0907 -0.0023 231 LEU A CB 3234 C CG . LEU B 216 ? 1.1924 0.9879 1.1068 0.0116 0.0931 -0.0023 231 LEU A CG 3235 C CD1 . LEU B 216 ? 1.1841 0.9740 1.0951 0.0068 0.1023 -0.0010 231 LEU A CD1 3236 C CD2 . LEU B 216 ? 1.2066 0.9898 1.1079 0.0188 0.0908 -0.0020 231 LEU A CD2 3237 C C1 . NAG C . ? 0.5376 0.6508 0.5232 0.0045 0.0062 0.0830 301 NAG B C1 3238 C C2 . NAG C . ? 0.5706 0.6846 0.5568 0.0102 0.0081 0.0864 301 NAG B C2 3239 C C3 . NAG C . ? 0.5785 0.6721 0.5594 0.0019 0.0022 0.0795 301 NAG B C3 3240 C C4 . NAG C . ? 0.6071 0.6909 0.5959 -0.0112 -0.0057 0.0876 301 NAG B C4 3241 C C5 . NAG C . ? 0.5823 0.6675 0.5705 -0.0159 -0.0070 0.0844 301 NAG B C5 3242 C C6 . NAG C . ? 0.5955 0.6715 0.5914 -0.0291 -0.0158 0.0922 301 NAG B C6 3243 C C7 . NAG C . ? 0.5957 0.7296 0.5751 0.0338 0.0193 0.0848 301 NAG B C7 3244 C C8 . NAG C . ? 0.5934 0.7327 0.5616 0.0465 0.0242 0.0731 301 NAG B C8 3245 N N2 . NAG C . ? 0.5422 0.6635 0.5193 0.0229 0.0143 0.0774 301 NAG B N2 3246 O O3 . NAG C . ? 0.5980 0.6919 0.5797 0.0071 0.0038 0.0835 301 NAG B O3 3247 O O4 . NAG C . ? 0.6169 0.6795 0.5971 -0.0173 -0.0114 0.0791 301 NAG B O4 3248 O O5 . NAG C . ? 0.5579 0.6635 0.5521 -0.0079 -0.0007 0.0914 301 NAG B O5 3249 O O6 . NAG C . ? 0.5970 0.6814 0.6089 -0.0317 -0.0179 0.1106 301 NAG B O6 3250 O O7 . NAG C . ? 0.5751 0.7155 0.5653 0.0333 0.0196 0.1003 301 NAG B O7 3251 C C1 . NAG D . ? 0.6550 0.7093 0.6438 -0.0248 -0.0181 0.0907 302 NAG B C1 3252 C C2 . NAG D . ? 0.6785 0.7075 0.6558 -0.0321 -0.0256 0.0802 302 NAG B C2 3253 C C3 . NAG D . ? 0.7221 0.7387 0.7065 -0.0401 -0.0341 0.0909 302 NAG B C3 3254 C C4 . NAG D . ? 0.7311 0.7571 0.7231 -0.0333 -0.0297 0.1010 302 NAG B C4 3255 C C5 . NAG D . ? 0.7164 0.7696 0.7207 -0.0264 -0.0217 0.1119 302 NAG B C5 3256 C C6 . NAG D . ? 0.7046 0.7701 0.7164 -0.0179 -0.0161 0.1230 302 NAG B C6 3257 C C7 . NAG D . ? 0.7067 0.7221 0.6660 -0.0369 -0.0275 0.0587 302 NAG B C7 3258 C C8 . NAG D . ? 0.6805 0.6891 0.6364 -0.0443 -0.0319 0.0545 302 NAG B C8 3259 N N2 . NAG D . ? 0.6983 0.7200 0.6712 -0.0393 -0.0298 0.0740 302 NAG B N2 3260 O O3 . NAG D . ? 0.7254 0.7170 0.6954 -0.0443 -0.0406 0.0794 302 NAG B O3 3261 O O4 . NAG D . ? 0.7486 0.7633 0.7498 -0.0420 -0.0383 0.1129 302 NAG B O4 3262 O O5 . NAG D . ? 0.6474 0.7092 0.6416 -0.0181 -0.0145 0.0993 302 NAG B O5 3263 O O6 . NAG D . ? 0.7424 0.8156 0.7425 -0.0053 -0.0076 0.1113 302 NAG B O6 3264 O O7 . NAG D . ? 0.7422 0.7579 0.6928 -0.0290 -0.0222 0.0491 302 NAG B O7 3265 C C1 . BMA E . ? 0.7849 0.7816 0.7758 -0.0402 -0.0407 0.1068 303 BMA B C1 3266 C C2 . BMA E . ? 0.8297 0.8233 0.8348 -0.0455 -0.0463 0.1238 303 BMA B C2 3267 C C3 . BMA E . ? 0.8450 0.8159 0.8387 -0.0448 -0.0506 0.1178 303 BMA B C3 3268 C C4 . BMA E . ? 0.8485 0.7937 0.8240 -0.0497 -0.0581 0.1019 303 BMA B C4 3269 C C5 . BMA E . ? 0.8556 0.8087 0.8195 -0.0437 -0.0509 0.0869 303 BMA B C5 3270 C C6 . BMA E . ? 0.8613 0.7896 0.8073 -0.0480 -0.0579 0.0725 303 BMA B C6 3271 O O2 . BMA E . ? 0.8239 0.8118 0.8400 -0.0586 -0.0564 0.1328 303 BMA B O2 3272 O O3 . BMA E . ? 0.8846 0.8477 0.8913 -0.0523 -0.0583 0.1332 303 BMA B O3 3273 O O4 . BMA E . ? 0.8356 0.7616 0.7982 -0.0459 -0.0600 0.0952 303 BMA B O4 3274 O O5 . BMA E . ? 0.8146 0.7871 0.7906 -0.0461 -0.0482 0.0937 303 BMA B O5 3275 O O6 . BMA E . ? 0.8486 0.7830 0.7825 -0.0410 -0.0501 0.0579 303 BMA B O6 3276 C C1 . MAN F . ? 0.9096 0.8884 0.9259 -0.0441 -0.0507 0.1446 304 MAN B C1 3277 C C2 . MAN F . ? 0.9733 0.9388 1.0018 -0.0532 -0.0604 0.1596 304 MAN B C2 3278 C C3 . MAN F . ? 0.9946 0.9718 1.0461 -0.0637 -0.0656 0.1779 304 MAN B C3 3279 C C4 . MAN F . ? 0.9791 0.9906 1.0438 -0.0550 -0.0532 0.1887 304 MAN B C4 3280 C C5 . MAN F . ? 0.9514 0.9711 1.0009 -0.0470 -0.0454 0.1715 304 MAN B C5 3281 C C6 . MAN F . ? 0.9025 0.9539 0.9616 -0.0373 -0.0338 0.1800 304 MAN B C6 3282 O O2 . MAN F . ? 0.9276 0.9022 0.9621 -0.0451 -0.0539 0.1692 304 MAN B O2 3283 O O3 . MAN F . ? 1.0177 0.9843 1.0817 -0.0709 -0.0736 0.1927 304 MAN B O3 3284 O O4 . MAN F . ? 0.9989 1.0226 1.0860 -0.0645 -0.0578 0.2069 304 MAN B O4 3285 O O5 . MAN F . ? 0.9208 0.9298 0.9501 -0.0379 -0.0411 0.1546 304 MAN B O5 3286 O O6 . MAN F . ? 0.9259 0.9810 0.9703 -0.0313 -0.0284 0.1629 304 MAN B O6 # 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 ARG 1 16 ? ? ? B . n A 1 2 SER 2 17 ? ? ? B . n A 1 3 PRO 3 18 ? ? ? B . n A 1 4 TRP 4 19 ? ? ? B . n A 1 5 GLY 5 20 20 GLY GLY B . n A 1 6 ASP 6 21 21 ASP ASP B . n A 1 7 GLU 7 22 22 GLU GLU B . n A 1 8 LEU 8 23 23 LEU LEU B . n A 1 9 LEU 9 24 24 LEU LEU B . n A 1 10 ASN 10 25 25 ASN ASN B . n A 1 11 ILE 11 26 26 ILE ILE B . n A 1 12 CYS 12 27 27 CYS CYS B . n A 1 13 MET 13 28 28 MET MET B . n A 1 14 ASN 14 29 29 ASN ASN B . n A 1 15 ALA 15 30 30 ALA ALA B . n A 1 16 LYS 16 31 31 LYS LYS B . n A 1 17 HIS 17 32 32 HIS HIS B . n A 1 18 HIS 18 33 33 HIS HIS B . n A 1 19 LYS 19 34 34 LYS LYS B . n A 1 20 ARG 20 35 35 ARG ARG B . n A 1 21 VAL 21 36 36 VAL VAL B . n A 1 22 PRO 22 37 37 PRO PRO B . n A 1 23 SER 23 38 38 SER SER B . n A 1 24 PRO 24 39 39 PRO PRO B . n A 1 25 GLU 25 40 40 GLU GLU B . n A 1 26 ASP 26 41 41 ASP ASP B . n A 1 27 LYS 27 42 42 LYS LYS B . n A 1 28 LEU 28 43 43 LEU LEU B . n A 1 29 TYR 29 44 44 TYR TYR B . n A 1 30 GLU 30 45 45 GLU GLU B . n A 1 31 GLU 31 46 46 GLU GLU B . n A 1 32 CYS 32 47 47 CYS CYS B . n A 1 33 ILE 33 48 48 ILE ILE B . n A 1 34 PRO 34 49 49 PRO PRO B . n A 1 35 TRP 35 50 50 TRP TRP B . n A 1 36 LYS 36 51 51 LYS LYS B . n A 1 37 ASP 37 52 52 ASP ASP B . n A 1 38 ASN 38 53 53 ASN ASN B . n A 1 39 ALA 39 54 54 ALA ALA B . n A 1 40 CYS 40 55 55 CYS CYS B . n A 1 41 CYS 41 56 56 CYS CYS B . n A 1 42 THR 42 57 57 THR THR B . n A 1 43 LEU 43 58 58 LEU LEU B . n A 1 44 THR 44 59 59 THR THR B . n A 1 45 THR 45 60 60 THR THR B . n A 1 46 SER 46 61 61 SER SER B . n A 1 47 TRP 47 62 62 TRP TRP B . n A 1 48 GLU 48 63 63 GLU GLU B . n A 1 49 ALA 49 64 64 ALA ALA B . n A 1 50 HIS 50 65 65 HIS HIS B . n A 1 51 LEU 51 66 66 LEU LEU B . n A 1 52 ASP 52 67 67 ASP ASP B . n A 1 53 VAL 53 68 68 VAL VAL B . n A 1 54 SER 54 69 69 SER SER B . n A 1 55 PRO 55 70 70 PRO PRO B . n A 1 56 LEU 56 71 71 LEU LEU B . n A 1 57 TYR 57 72 72 TYR TYR B . n A 1 58 ASN 58 73 73 ASN ASN B . n A 1 59 PHE 59 74 74 PHE PHE B . n A 1 60 SER 60 75 75 SER SER B . n A 1 61 LEU 61 76 76 LEU LEU B . n A 1 62 PHE 62 77 77 PHE PHE B . n A 1 63 HIS 63 78 78 HIS HIS B . n A 1 64 CYS 64 79 79 CYS CYS B . n A 1 65 GLY 65 80 80 GLY GLY B . n A 1 66 LEU 66 81 81 LEU LEU B . n A 1 67 LEU 67 82 82 LEU LEU B . n A 1 68 MET 68 83 83 MET MET B . n A 1 69 PRO 69 84 84 PRO PRO B . n A 1 70 GLY 70 85 85 GLY GLY B . n A 1 71 CYS 71 86 86 CYS CYS B . n A 1 72 ARG 72 87 87 ARG ARG B . n A 1 73 LYS 73 88 88 LYS LYS B . n A 1 74 HIS 74 89 89 HIS HIS B . n A 1 75 PHE 75 90 90 PHE PHE B . n A 1 76 ILE 76 91 91 ILE ILE B . n A 1 77 GLN 77 92 92 GLN GLN B . n A 1 78 ALA 78 93 93 ALA ALA B . n A 1 79 ILE 79 94 94 ILE ILE B . n A 1 80 CYS 80 95 95 CYS CYS B . n A 1 81 PHE 81 96 96 PHE PHE B . n A 1 82 TYR 82 97 97 TYR TYR B . n A 1 83 GLU 83 98 98 GLU GLU B . n A 1 84 CYS 84 99 99 CYS CYS B . n A 1 85 SER 85 100 100 SER SER B . n A 1 86 PRO 86 101 101 PRO PRO B . n A 1 87 ASN 87 102 102 ASN ASN B . n A 1 88 LEU 88 103 103 LEU LEU B . n A 1 89 GLY 89 104 104 GLY GLY B . n A 1 90 PRO 90 105 105 PRO PRO B . n A 1 91 TRP 91 106 106 TRP TRP B . n A 1 92 ILE 92 107 107 ILE ILE B . n A 1 93 GLN 93 108 108 GLN GLN B . n A 1 94 PRO 94 109 109 PRO PRO B . n A 1 95 VAL 95 110 ? ? ? B . n A 1 96 GLY 96 111 ? ? ? B . n A 1 97 SER 97 112 ? ? ? B . n A 1 98 LEU 98 113 ? ? ? B . n A 1 99 GLY 99 114 ? ? ? B . n A 1 100 TRP 100 115 ? ? ? B . n A 1 101 GLU 101 116 ? ? ? B . n A 1 102 VAL 102 117 ? ? ? B . n A 1 103 ALA 103 118 ? ? ? B . n A 1 104 PRO 104 119 ? ? ? B . n A 1 105 SER 105 120 ? ? ? B . n A 1 106 GLY 106 121 ? ? ? B . n A 1 107 GLN 107 122 ? ? ? B . n A 1 108 GLY 108 123 123 GLY GLY B . n A 1 109 GLU 109 124 124 GLU GLU B . n A 1 110 ARG 110 125 125 ARG ARG B . n A 1 111 VAL 111 126 126 VAL VAL B . n A 1 112 VAL 112 127 127 VAL VAL B . n A 1 113 ASN 113 128 128 ASN ASN B . n A 1 114 VAL 114 129 129 VAL VAL B . n A 1 115 PRO 115 130 130 PRO PRO B . n A 1 116 LEU 116 131 131 LEU LEU B . n A 1 117 CYS 117 132 132 CYS CYS B . n A 1 118 GLN 118 133 133 GLN GLN B . n A 1 119 GLU 119 134 134 GLU GLU B . n A 1 120 ASP 120 135 135 ASP ASP B . n A 1 121 CYS 121 136 136 CYS CYS B . n A 1 122 GLU 122 137 137 GLU GLU B . n A 1 123 GLU 123 138 138 GLU GLU B . n A 1 124 TRP 124 139 139 TRP TRP B . n A 1 125 TRP 125 140 140 TRP TRP B . n A 1 126 GLU 126 141 141 GLU GLU B . n A 1 127 ASP 127 142 142 ASP ASP B . n A 1 128 CYS 128 143 143 CYS CYS B . n A 1 129 ARG 129 144 144 ARG ARG B . n A 1 130 MET 130 145 145 MET MET B . n A 1 131 SER 131 146 146 SER SER B . n A 1 132 TYR 132 147 147 TYR TYR B . n A 1 133 THR 133 148 148 THR THR B . n A 1 134 CYS 134 149 149 CYS CYS B . n A 1 135 LYS 135 150 150 LYS LYS B . n A 1 136 SER 136 151 151 SER SER B . n A 1 137 ASN 137 152 152 ASN ASN B . n A 1 138 TRP 138 153 153 TRP TRP B . n A 1 139 ARG 139 154 154 ARG ARG B . n A 1 140 GLY 140 155 155 GLY GLY B . n A 1 141 GLY 141 156 156 GLY GLY B . n A 1 142 TRP 142 157 157 TRP TRP B . n A 1 143 ASP 143 158 158 ASP ASP B . n A 1 144 TRP 144 159 159 TRP TRP B . n A 1 145 SER 145 160 160 SER SER B . n A 1 146 GLN 146 161 161 GLN GLN B . n A 1 147 GLY 147 162 162 GLY GLY B . n A 1 148 LYS 148 163 163 LYS LYS B . n A 1 149 ASN 149 164 164 ASN ASN B . n A 1 150 ARG 150 165 165 ARG ARG B . n A 1 151 CYS 151 166 166 CYS CYS B . n A 1 152 PRO 152 167 167 PRO PRO B . n A 1 153 LYS 153 168 168 LYS LYS B . n A 1 154 GLY 154 169 169 GLY GLY B . n A 1 155 ALA 155 170 170 ALA ALA B . n A 1 156 GLN 156 171 171 GLN GLN B . n A 1 157 CYS 157 172 172 CYS CYS B . n A 1 158 LEU 158 173 173 LEU LEU B . n A 1 159 PRO 159 174 174 PRO PRO B . n A 1 160 PHE 160 175 175 PHE PHE B . n A 1 161 SER 161 176 176 SER SER B . n A 1 162 HIS 162 177 177 HIS HIS B . n A 1 163 TYR 163 178 178 TYR TYR B . n A 1 164 PHE 164 179 179 PHE PHE B . n A 1 165 PRO 165 180 180 PRO PRO B . n A 1 166 THR 166 181 181 THR THR B . n A 1 167 PRO 167 182 182 PRO PRO B . n A 1 168 ALA 168 183 183 ALA ALA B . n A 1 169 ASP 169 184 184 ASP ASP B . n A 1 170 LEU 170 185 185 LEU LEU B . n A 1 171 CYS 171 186 186 CYS CYS B . n A 1 172 GLU 172 187 187 GLU GLU B . n A 1 173 LYS 173 188 188 LYS LYS B . n A 1 174 THR 174 189 189 THR THR B . n A 1 175 TRP 175 190 190 TRP TRP B . n A 1 176 SER 176 191 191 SER SER B . n A 1 177 ASN 177 192 192 ASN ASN B . n A 1 178 SER 178 193 193 SER SER B . n A 1 179 PHE 179 194 194 PHE PHE B . n A 1 180 LYS 180 195 195 LYS LYS B . n A 1 181 ALA 181 196 196 ALA ALA B . n A 1 182 SER 182 197 197 SER SER B . n A 1 183 PRO 183 198 198 PRO PRO B . n A 1 184 GLU 184 199 199 GLU GLU B . n A 1 185 ARG 185 200 200 ARG ARG B . n A 1 186 ARG 186 201 201 ARG ARG B . n A 1 187 ASN 187 202 202 ASN ASN B . n A 1 188 SER 188 203 203 SER SER B . n A 1 189 GLY 189 204 204 GLY GLY B . n A 1 190 ARG 190 205 205 ARG ARG B . n A 1 191 CYS 191 206 206 CYS CYS B . n A 1 192 LEU 192 207 207 LEU LEU B . n A 1 193 GLN 193 208 208 GLN GLN B . n A 1 194 LYS 194 209 209 LYS LYS B . n A 1 195 TRP 195 210 210 TRP TRP B . n A 1 196 PHE 196 211 211 PHE PHE B . n A 1 197 GLU 197 212 212 GLU GLU B . n A 1 198 PRO 198 213 213 PRO PRO B . n A 1 199 ALA 199 214 214 ALA ALA B . n A 1 200 GLN 200 215 215 GLN GLN B . n A 1 201 GLY 201 216 216 GLY GLY B . n A 1 202 ASN 202 217 217 ASN ASN B . n A 1 203 PRO 203 218 218 PRO PRO B . n A 1 204 ASN 204 219 219 ASN ASN B . n A 1 205 VAL 205 220 220 VAL VAL B . n A 1 206 ALA 206 221 221 ALA ALA B . n A 1 207 VAL 207 222 222 VAL VAL B . n A 1 208 ALA 208 223 223 ALA ALA B . n A 1 209 ARG 209 224 224 ARG ARG B . n A 1 210 LEU 210 225 225 LEU LEU B . n A 1 211 PHE 211 226 226 PHE PHE B . n A 1 212 ALA 212 227 227 ALA ALA B . n A 1 213 SER 213 228 228 SER SER B . n A 1 214 GLU 214 229 229 GLU GLU B . n A 1 215 PHE 215 230 230 PHE PHE B . n A 1 216 LEU 216 231 231 LEU LEU B . n A 1 217 GLU 217 232 ? ? ? B . n A 1 218 VAL 218 233 ? ? ? B . n A 1 219 LEU 219 234 ? ? ? B . n A 1 220 PHE 220 235 ? ? ? B . n A 1 221 GLN 221 236 ? ? ? B . n B 1 1 ARG 1 16 ? ? ? A . n B 1 2 SER 2 17 ? ? ? A . n B 1 3 PRO 3 18 ? ? ? A . n B 1 4 TRP 4 19 19 TRP TRP A . n B 1 5 GLY 5 20 20 GLY GLY A . n B 1 6 ASP 6 21 21 ASP ASP A . n B 1 7 GLU 7 22 22 GLU GLU A . n B 1 8 LEU 8 23 23 LEU LEU A . n B 1 9 LEU 9 24 24 LEU LEU A . n B 1 10 ASN 10 25 25 ASN ASN A . n B 1 11 ILE 11 26 26 ILE ILE A . n B 1 12 CYS 12 27 27 CYS CYS A . n B 1 13 MET 13 28 28 MET MET A . n B 1 14 ASN 14 29 29 ASN ASN A . n B 1 15 ALA 15 30 30 ALA ALA A . n B 1 16 LYS 16 31 31 LYS LYS A . n B 1 17 HIS 17 32 32 HIS HIS A . n B 1 18 HIS 18 33 33 HIS HIS A . n B 1 19 LYS 19 34 34 LYS LYS A . n B 1 20 ARG 20 35 35 ARG ARG A . n B 1 21 VAL 21 36 36 VAL VAL A . n B 1 22 PRO 22 37 37 PRO PRO A . n B 1 23 SER 23 38 38 SER SER A . n B 1 24 PRO 24 39 39 PRO PRO A . n B 1 25 GLU 25 40 40 GLU GLU A . n B 1 26 ASP 26 41 41 ASP ASP A . n B 1 27 LYS 27 42 42 LYS LYS A . n B 1 28 LEU 28 43 43 LEU LEU A . n B 1 29 TYR 29 44 44 TYR TYR A . n B 1 30 GLU 30 45 45 GLU GLU A . n B 1 31 GLU 31 46 46 GLU GLU A . n B 1 32 CYS 32 47 47 CYS CYS A . n B 1 33 ILE 33 48 48 ILE ILE A . n B 1 34 PRO 34 49 49 PRO PRO A . n B 1 35 TRP 35 50 50 TRP TRP A . n B 1 36 LYS 36 51 51 LYS LYS A . n B 1 37 ASP 37 52 52 ASP ASP A . n B 1 38 ASN 38 53 53 ASN ASN A . n B 1 39 ALA 39 54 54 ALA ALA A . n B 1 40 CYS 40 55 55 CYS CYS A . n B 1 41 CYS 41 56 56 CYS CYS A . n B 1 42 THR 42 57 57 THR THR A . n B 1 43 LEU 43 58 58 LEU LEU A . n B 1 44 THR 44 59 59 THR THR A . n B 1 45 THR 45 60 60 THR THR A . n B 1 46 SER 46 61 61 SER SER A . n B 1 47 TRP 47 62 62 TRP TRP A . n B 1 48 GLU 48 63 63 GLU GLU A . n B 1 49 ALA 49 64 64 ALA ALA A . n B 1 50 HIS 50 65 65 HIS HIS A . n B 1 51 LEU 51 66 66 LEU LEU A . n B 1 52 ASP 52 67 67 ASP ASP A . n B 1 53 VAL 53 68 68 VAL VAL A . n B 1 54 SER 54 69 69 SER SER A . n B 1 55 PRO 55 70 70 PRO PRO A . n B 1 56 LEU 56 71 71 LEU LEU A . n B 1 57 TYR 57 72 72 TYR TYR A . n B 1 58 ASN 58 73 73 ASN ASN A . n B 1 59 PHE 59 74 74 PHE PHE A . n B 1 60 SER 60 75 75 SER SER A . n B 1 61 LEU 61 76 76 LEU LEU A . n B 1 62 PHE 62 77 77 PHE PHE A . n B 1 63 HIS 63 78 78 HIS HIS A . n B 1 64 CYS 64 79 79 CYS CYS A . n B 1 65 GLY 65 80 80 GLY GLY A . n B 1 66 LEU 66 81 81 LEU LEU A . n B 1 67 LEU 67 82 82 LEU LEU A . n B 1 68 MET 68 83 83 MET MET A . n B 1 69 PRO 69 84 84 PRO PRO A . n B 1 70 GLY 70 85 85 GLY GLY A . n B 1 71 CYS 71 86 86 CYS CYS A . n B 1 72 ARG 72 87 87 ARG ARG A . n B 1 73 LYS 73 88 88 LYS LYS A . n B 1 74 HIS 74 89 89 HIS HIS A . n B 1 75 PHE 75 90 90 PHE PHE A . n B 1 76 ILE 76 91 91 ILE ILE A . n B 1 77 GLN 77 92 92 GLN GLN A . n B 1 78 ALA 78 93 93 ALA ALA A . n B 1 79 ILE 79 94 94 ILE ILE A . n B 1 80 CYS 80 95 95 CYS CYS A . n B 1 81 PHE 81 96 96 PHE PHE A . n B 1 82 TYR 82 97 97 TYR TYR A . n B 1 83 GLU 83 98 98 GLU GLU A . n B 1 84 CYS 84 99 99 CYS CYS A . n B 1 85 SER 85 100 100 SER SER A . n B 1 86 PRO 86 101 101 PRO PRO A . n B 1 87 ASN 87 102 102 ASN ASN A . n B 1 88 LEU 88 103 103 LEU LEU A . n B 1 89 GLY 89 104 104 GLY GLY A . n B 1 90 PRO 90 105 105 PRO PRO A . n B 1 91 TRP 91 106 106 TRP TRP A . n B 1 92 ILE 92 107 107 ILE ILE A . n B 1 93 GLN 93 108 108 GLN GLN A . n B 1 94 PRO 94 109 109 PRO PRO A . n B 1 95 VAL 95 110 ? ? ? A . n B 1 96 GLY 96 111 ? ? ? A . n B 1 97 SER 97 112 ? ? ? A . n B 1 98 LEU 98 113 ? ? ? A . n B 1 99 GLY 99 114 ? ? ? A . n B 1 100 TRP 100 115 ? ? ? A . n B 1 101 GLU 101 116 ? ? ? A . n B 1 102 VAL 102 117 ? ? ? A . n B 1 103 ALA 103 118 ? ? ? A . n B 1 104 PRO 104 119 ? ? ? A . n B 1 105 SER 105 120 ? ? ? A . n B 1 106 GLY 106 121 ? ? ? A . n B 1 107 GLN 107 122 ? ? ? A . n B 1 108 GLY 108 123 123 GLY GLY A . n B 1 109 GLU 109 124 124 GLU GLU A . n B 1 110 ARG 110 125 125 ARG ARG A . n B 1 111 VAL 111 126 126 VAL VAL A . n B 1 112 VAL 112 127 127 VAL VAL A . n B 1 113 ASN 113 128 128 ASN ASN A . n B 1 114 VAL 114 129 129 VAL VAL A . n B 1 115 PRO 115 130 130 PRO PRO A . n B 1 116 LEU 116 131 131 LEU LEU A . n B 1 117 CYS 117 132 132 CYS CYS A . n B 1 118 GLN 118 133 133 GLN GLN A . n B 1 119 GLU 119 134 134 GLU GLU A . n B 1 120 ASP 120 135 135 ASP ASP A . n B 1 121 CYS 121 136 136 CYS CYS A . n B 1 122 GLU 122 137 137 GLU GLU A . n B 1 123 GLU 123 138 138 GLU GLU A . n B 1 124 TRP 124 139 139 TRP TRP A . n B 1 125 TRP 125 140 140 TRP TRP A . n B 1 126 GLU 126 141 141 GLU GLU A . n B 1 127 ASP 127 142 142 ASP ASP A . n B 1 128 CYS 128 143 143 CYS CYS A . n B 1 129 ARG 129 144 144 ARG ARG A . n B 1 130 MET 130 145 145 MET MET A . n B 1 131 SER 131 146 146 SER SER A . n B 1 132 TYR 132 147 147 TYR TYR A . n B 1 133 THR 133 148 148 THR THR A . n B 1 134 CYS 134 149 149 CYS CYS A . n B 1 135 LYS 135 150 150 LYS LYS A . n B 1 136 SER 136 151 151 SER SER A . n B 1 137 ASN 137 152 152 ASN ASN A . n B 1 138 TRP 138 153 153 TRP TRP A . n B 1 139 ARG 139 154 154 ARG ARG A . n B 1 140 GLY 140 155 155 GLY GLY A . n B 1 141 GLY 141 156 156 GLY GLY A . n B 1 142 TRP 142 157 157 TRP TRP A . n B 1 143 ASP 143 158 158 ASP ASP A . n B 1 144 TRP 144 159 159 TRP TRP A . n B 1 145 SER 145 160 160 SER SER A . n B 1 146 GLN 146 161 161 GLN GLN A . n B 1 147 GLY 147 162 162 GLY GLY A . n B 1 148 LYS 148 163 163 LYS LYS A . n B 1 149 ASN 149 164 164 ASN ASN A . n B 1 150 ARG 150 165 165 ARG ARG A . n B 1 151 CYS 151 166 166 CYS CYS A . n B 1 152 PRO 152 167 167 PRO PRO A . n B 1 153 LYS 153 168 168 LYS LYS A . n B 1 154 GLY 154 169 169 GLY GLY A . n B 1 155 ALA 155 170 170 ALA ALA A . n B 1 156 GLN 156 171 171 GLN GLN A . n B 1 157 CYS 157 172 172 CYS CYS A . n B 1 158 LEU 158 173 173 LEU LEU A . n B 1 159 PRO 159 174 174 PRO PRO A . n B 1 160 PHE 160 175 175 PHE PHE A . n B 1 161 SER 161 176 176 SER SER A . n B 1 162 HIS 162 177 177 HIS HIS A . n B 1 163 TYR 163 178 178 TYR TYR A . n B 1 164 PHE 164 179 179 PHE PHE A . n B 1 165 PRO 165 180 180 PRO PRO A . n B 1 166 THR 166 181 181 THR THR A . n B 1 167 PRO 167 182 182 PRO PRO A . n B 1 168 ALA 168 183 183 ALA ALA A . n B 1 169 ASP 169 184 184 ASP ASP A . n B 1 170 LEU 170 185 185 LEU LEU A . n B 1 171 CYS 171 186 186 CYS CYS A . n B 1 172 GLU 172 187 187 GLU GLU A . n B 1 173 LYS 173 188 188 LYS LYS A . n B 1 174 THR 174 189 189 THR THR A . n B 1 175 TRP 175 190 190 TRP TRP A . n B 1 176 SER 176 191 191 SER SER A . n B 1 177 ASN 177 192 192 ASN ASN A . n B 1 178 SER 178 193 193 SER SER A . n B 1 179 PHE 179 194 194 PHE PHE A . n B 1 180 LYS 180 195 195 LYS LYS A . n B 1 181 ALA 181 196 196 ALA ALA A . n B 1 182 SER 182 197 197 SER SER A . n B 1 183 PRO 183 198 198 PRO PRO A . n B 1 184 GLU 184 199 199 GLU GLU A . n B 1 185 ARG 185 200 200 ARG ARG A . n B 1 186 ARG 186 201 201 ARG ARG A . n B 1 187 ASN 187 202 202 ASN ASN A . n B 1 188 SER 188 203 203 SER SER A . n B 1 189 GLY 189 204 204 GLY GLY A . n B 1 190 ARG 190 205 205 ARG ARG A . n B 1 191 CYS 191 206 206 CYS CYS A . n B 1 192 LEU 192 207 207 LEU LEU A . n B 1 193 GLN 193 208 208 GLN GLN A . n B 1 194 LYS 194 209 209 LYS LYS A . n B 1 195 TRP 195 210 210 TRP TRP A . n B 1 196 PHE 196 211 211 PHE PHE A . n B 1 197 GLU 197 212 212 GLU GLU A . n B 1 198 PRO 198 213 213 PRO PRO A . n B 1 199 ALA 199 214 214 ALA ALA A . n B 1 200 GLN 200 215 215 GLN GLN A . n B 1 201 GLY 201 216 216 GLY GLY A . n B 1 202 ASN 202 217 217 ASN ASN A . n B 1 203 PRO 203 218 218 PRO PRO A . n B 1 204 ASN 204 219 219 ASN ASN A . n B 1 205 VAL 205 220 220 VAL VAL A . n B 1 206 ALA 206 221 221 ALA ALA A . n B 1 207 VAL 207 222 222 VAL VAL A . n B 1 208 ALA 208 223 223 ALA ALA A . n B 1 209 ARG 209 224 224 ARG ARG A . n B 1 210 LEU 210 225 225 LEU LEU A . n B 1 211 PHE 211 226 226 PHE PHE A . n B 1 212 ALA 212 227 227 ALA ALA A . n B 1 213 SER 213 228 228 SER SER A . n B 1 214 GLU 214 229 229 GLU GLU A . n B 1 215 PHE 215 230 230 PHE PHE A . n B 1 216 LEU 216 231 231 LEU LEU A . n B 1 217 GLU 217 232 ? ? ? A . n B 1 218 VAL 218 233 ? ? ? A . n B 1 219 LEU 219 234 ? ? ? A . n B 1 220 PHE 220 235 ? ? ? A . n B 1 221 GLN 221 236 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 301 300 NAG NAG B . D 2 NAG 2 302 301 NAG NAG B . E 3 BMA 3 303 302 BMA BMA B . F 4 MAN 4 304 303 MAN MAN B . G 5 CL 1 305 2 CL CL B . H 5 CL 1 301 1 CL CL A . I 5 CL 1 302 3 CL CL A . J 6 HOH 1 401 138 HOH HOH B . J 6 HOH 2 402 115 HOH HOH B . J 6 HOH 3 403 127 HOH HOH B . J 6 HOH 4 404 147 HOH HOH B . J 6 HOH 5 405 22 HOH HOH B . J 6 HOH 6 406 136 HOH HOH B . J 6 HOH 7 407 63 HOH HOH B . J 6 HOH 8 408 16 HOH HOH B . J 6 HOH 9 409 134 HOH HOH B . J 6 HOH 10 410 70 HOH HOH B . J 6 HOH 11 411 130 HOH HOH B . J 6 HOH 12 412 73 HOH HOH B . J 6 HOH 13 413 11 HOH HOH B . J 6 HOH 14 414 40 HOH HOH B . J 6 HOH 15 415 54 HOH HOH B . J 6 HOH 16 416 42 HOH HOH B . J 6 HOH 17 417 28 HOH HOH B . J 6 HOH 18 418 34 HOH HOH B . J 6 HOH 19 419 114 HOH HOH B . J 6 HOH 20 420 133 HOH HOH B . J 6 HOH 21 421 96 HOH HOH B . J 6 HOH 22 422 51 HOH HOH B . J 6 HOH 23 423 36 HOH HOH B . J 6 HOH 24 424 64 HOH HOH B . J 6 HOH 25 425 59 HOH HOH B . J 6 HOH 26 426 14 HOH HOH B . J 6 HOH 27 427 3 HOH HOH B . J 6 HOH 28 428 20 HOH HOH B . J 6 HOH 29 429 139 HOH HOH B . J 6 HOH 30 430 145 HOH HOH B . J 6 HOH 31 431 45 HOH HOH B . J 6 HOH 32 432 102 HOH HOH B . J 6 HOH 33 433 13 HOH HOH B . J 6 HOH 34 434 74 HOH HOH B . J 6 HOH 35 435 27 HOH HOH B . J 6 HOH 36 436 24 HOH HOH B . J 6 HOH 37 437 9 HOH HOH B . J 6 HOH 38 438 143 HOH HOH B . J 6 HOH 39 439 101 HOH HOH B . J 6 HOH 40 440 80 HOH HOH B . J 6 HOH 41 441 56 HOH HOH B . J 6 HOH 42 442 29 HOH HOH B . J 6 HOH 43 443 146 HOH HOH B . J 6 HOH 44 444 132 HOH HOH B . J 6 HOH 45 445 76 HOH HOH B . J 6 HOH 46 446 105 HOH HOH B . J 6 HOH 47 447 49 HOH HOH B . J 6 HOH 48 448 141 HOH HOH B . J 6 HOH 49 449 61 HOH HOH B . J 6 HOH 50 450 83 HOH HOH B . J 6 HOH 51 451 128 HOH HOH B . J 6 HOH 52 452 93 HOH HOH B . J 6 HOH 53 453 104 HOH HOH B . J 6 HOH 54 454 137 HOH HOH B . J 6 HOH 55 455 144 HOH HOH B . J 6 HOH 56 456 131 HOH HOH B . J 6 HOH 57 457 82 HOH HOH B . J 6 HOH 58 458 135 HOH HOH B . J 6 HOH 59 459 92 HOH HOH B . K 6 HOH 1 401 116 HOH HOH A . K 6 HOH 2 402 100 HOH HOH A . K 6 HOH 3 403 1 HOH HOH A . K 6 HOH 4 404 35 HOH HOH A . K 6 HOH 5 405 91 HOH HOH A . K 6 HOH 6 406 89 HOH HOH A . K 6 HOH 7 407 108 HOH HOH A . K 6 HOH 8 408 120 HOH HOH A . K 6 HOH 9 409 47 HOH HOH A . K 6 HOH 10 410 31 HOH HOH A . K 6 HOH 11 411 44 HOH HOH A . K 6 HOH 12 412 65 HOH HOH A . K 6 HOH 13 413 53 HOH HOH A . K 6 HOH 14 414 57 HOH HOH A . K 6 HOH 15 415 60 HOH HOH A . K 6 HOH 16 416 79 HOH HOH A . K 6 HOH 17 417 109 HOH HOH A . K 6 HOH 18 418 111 HOH HOH A . K 6 HOH 19 419 26 HOH HOH A . K 6 HOH 20 420 71 HOH HOH A . K 6 HOH 21 421 30 HOH HOH A . K 6 HOH 22 422 5 HOH HOH A . K 6 HOH 23 423 23 HOH HOH A . K 6 HOH 24 424 75 HOH HOH A . K 6 HOH 25 425 10 HOH HOH A . K 6 HOH 26 426 62 HOH HOH A . K 6 HOH 27 427 19 HOH HOH A . K 6 HOH 28 428 149 HOH HOH A . K 6 HOH 29 429 55 HOH HOH A . K 6 HOH 30 430 125 HOH HOH A . K 6 HOH 31 431 117 HOH HOH A . K 6 HOH 32 432 21 HOH HOH A . K 6 HOH 33 433 121 HOH HOH A . K 6 HOH 34 434 18 HOH HOH A . K 6 HOH 35 435 66 HOH HOH A . K 6 HOH 36 436 85 HOH HOH A . K 6 HOH 37 437 37 HOH HOH A . K 6 HOH 38 438 6 HOH HOH A . K 6 HOH 39 439 46 HOH HOH A . K 6 HOH 40 440 52 HOH HOH A . K 6 HOH 41 441 7 HOH HOH A . K 6 HOH 42 442 140 HOH HOH A . K 6 HOH 43 443 8 HOH HOH A . K 6 HOH 44 444 41 HOH HOH A . K 6 HOH 45 445 38 HOH HOH A . K 6 HOH 46 446 12 HOH HOH A . K 6 HOH 47 447 129 HOH HOH A . K 6 HOH 48 448 25 HOH HOH A . K 6 HOH 49 449 69 HOH HOH A . K 6 HOH 50 450 58 HOH HOH A . K 6 HOH 51 451 126 HOH HOH A . K 6 HOH 52 452 33 HOH HOH A . K 6 HOH 53 453 81 HOH HOH A . K 6 HOH 54 454 84 HOH HOH A . K 6 HOH 55 455 2 HOH HOH A . K 6 HOH 56 456 32 HOH HOH A . K 6 HOH 57 457 124 HOH HOH A . K 6 HOH 58 458 118 HOH HOH A . K 6 HOH 59 459 77 HOH HOH A . K 6 HOH 60 460 4 HOH HOH A . K 6 HOH 61 461 39 HOH HOH A . K 6 HOH 62 462 50 HOH HOH A . K 6 HOH 63 463 43 HOH HOH A . K 6 HOH 64 464 78 HOH HOH A . K 6 HOH 65 465 119 HOH HOH A . K 6 HOH 66 466 72 HOH HOH A . K 6 HOH 67 467 113 HOH HOH A . K 6 HOH 68 468 17 HOH HOH A . K 6 HOH 69 469 99 HOH HOH A . K 6 HOH 70 470 112 HOH HOH A . K 6 HOH 71 471 87 HOH HOH A . K 6 HOH 72 472 148 HOH HOH A . K 6 HOH 73 473 106 HOH HOH A . K 6 HOH 74 474 48 HOH HOH A . K 6 HOH 75 475 94 HOH HOH A . K 6 HOH 76 476 67 HOH HOH A . K 6 HOH 77 477 97 HOH HOH A . K 6 HOH 78 478 15 HOH HOH A . K 6 HOH 79 479 98 HOH HOH A . K 6 HOH 80 480 95 HOH HOH A . K 6 HOH 81 481 88 HOH HOH A . K 6 HOH 82 482 90 HOH HOH A . K 6 HOH 83 483 123 HOH HOH A . K 6 HOH 84 484 86 HOH HOH A . K 6 HOH 85 485 68 HOH HOH A . K 6 HOH 86 486 142 HOH HOH A . K 6 HOH 87 487 110 HOH HOH A . K 6 HOH 88 488 122 HOH HOH A . K 6 HOH 89 489 107 HOH HOH A . K 6 HOH 90 490 103 HOH HOH A . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,J 2 1 B,H,I,K # 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)' 830 ? 1 MORE -1 ? 1 'SSA (A^2)' 10540 ? 2 'ABSA (A^2)' 130 ? 2 MORE -12 ? 2 'SSA (A^2)' 10230 ? # _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 2016-06-22 2 'Structure model' 1 1 2016-06-29 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -10.8802 4.6076 -44.9665 0.0511 0.0657 0.1285 0.0146 0.0156 -0.0006 0.1466 0.5990 1.3115 -0.1967 -0.1086 -0.1340 -0.0160 -0.0656 -0.0161 -0.0631 0.0365 -0.0123 -0.0149 -0.0456 -0.0205 'X-RAY DIFFRACTION' 2 ? refined -6.9097 -2.2306 -13.3699 0.1485 0.2716 0.0299 0.1042 0.0083 -0.0573 0.6661 0.8440 0.8889 -0.6347 0.3139 -0.5589 -0.2615 -0.2910 0.0094 0.1804 0.3620 -0.0222 -0.1250 -0.0923 -0.1005 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 19 ? ? A 231 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 20 ? ? B 231 ? ? ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0103 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 NE1 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 TRP _pdbx_validate_close_contact.auth_seq_id_1 19 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 OE1 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 GLU _pdbx_validate_close_contact.auth_seq_id_2 229 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.15 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 NE _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 ARG _pdbx_validate_rmsd_angle.auth_seq_id_1 87 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CZ _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 ARG _pdbx_validate_rmsd_angle.auth_seq_id_2 87 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 NH2 _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 ARG _pdbx_validate_rmsd_angle.auth_seq_id_3 87 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 117.11 _pdbx_validate_rmsd_angle.angle_target_value 120.30 _pdbx_validate_rmsd_angle.angle_deviation -3.19 _pdbx_validate_rmsd_angle.angle_standard_deviation 0.50 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLU B 45 ? ? 38.64 -104.73 2 1 ASN B 53 ? ? -166.19 102.43 3 1 GLU A 45 ? ? 38.63 -113.44 4 1 ASN A 53 ? ? -164.02 97.94 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 B ARG 16 ? A ARG 1 2 1 Y 1 B SER 17 ? A SER 2 3 1 Y 1 B PRO 18 ? A PRO 3 4 1 Y 1 B TRP 19 ? A TRP 4 5 1 Y 1 B VAL 110 ? A VAL 95 6 1 Y 1 B GLY 111 ? A GLY 96 7 1 Y 1 B SER 112 ? A SER 97 8 1 Y 1 B LEU 113 ? A LEU 98 9 1 Y 1 B GLY 114 ? A GLY 99 10 1 Y 1 B TRP 115 ? A TRP 100 11 1 Y 1 B GLU 116 ? A GLU 101 12 1 Y 1 B VAL 117 ? A VAL 102 13 1 Y 1 B ALA 118 ? A ALA 103 14 1 Y 1 B PRO 119 ? A PRO 104 15 1 Y 1 B SER 120 ? A SER 105 16 1 Y 1 B GLY 121 ? A GLY 106 17 1 Y 1 B GLN 122 ? A GLN 107 18 1 Y 1 B GLU 232 ? A GLU 217 19 1 Y 1 B VAL 233 ? A VAL 218 20 1 Y 1 B LEU 234 ? A LEU 219 21 1 Y 1 B PHE 235 ? A PHE 220 22 1 Y 1 B GLN 236 ? A GLN 221 23 1 Y 1 A ARG 16 ? B ARG 1 24 1 Y 1 A SER 17 ? B SER 2 25 1 Y 1 A PRO 18 ? B PRO 3 26 1 Y 1 A VAL 110 ? B VAL 95 27 1 Y 1 A GLY 111 ? B GLY 96 28 1 Y 1 A SER 112 ? B SER 97 29 1 Y 1 A LEU 113 ? B LEU 98 30 1 Y 1 A GLY 114 ? B GLY 99 31 1 Y 1 A TRP 115 ? B TRP 100 32 1 Y 1 A GLU 116 ? B GLU 101 33 1 Y 1 A VAL 117 ? B VAL 102 34 1 Y 1 A ALA 118 ? B ALA 103 35 1 Y 1 A PRO 119 ? B PRO 104 36 1 Y 1 A SER 120 ? B SER 105 37 1 Y 1 A GLY 121 ? B GLY 106 38 1 Y 1 A GLN 122 ? B GLN 107 39 1 Y 1 A GLU 232 ? B GLU 217 40 1 Y 1 A VAL 233 ? B VAL 218 41 1 Y 1 A LEU 234 ? B LEU 219 42 1 Y 1 A PHE 235 ? B PHE 220 43 1 Y 1 A GLN 236 ? B GLN 221 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'CHLORIDE ION' CL 6 water HOH #