data_5IW6 # _entry.id 5IW6 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5IW6 WWPDB D_1000219536 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5IW3 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5IW6 _pdbx_database_status.recvd_initial_deposition_date 2016-03-22 _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 'Tang, C.' 1 'Chen, Z.' 2 # _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 ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of anti-CD20 monoclonal antibody Fc fragment at 2.34 Angstroms resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Tang, C.' 1 primary 'Chen, Z.' 2 # _cell.entry_id 5IW6 _cell.length_a 49.450 _cell.length_b 80.004 _cell.length_c 139.324 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5IW6 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 'Ig gamma-1 chain C region' 23723.789 1 ? 'D379E, L381M' 'UNP residues 119-327' ? 2 polymer man 'Ig gamma-1 chain C region' 23425.492 1 ? 'D379E, L381M' 'UNP residues 122-326' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 6 non-polymer man BETA-D-GALACTOSE 180.156 2 ? ? ? ? 7 water nat water 18.015 107 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; A ? 2 'polypeptide(L)' no no ;SVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKE YKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVL DSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; ;SVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKE YKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVL DSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 GLY n 1 3 PRO n 1 4 SER n 1 5 VAL n 1 6 PHE n 1 7 LEU n 1 8 PHE n 1 9 PRO n 1 10 PRO n 1 11 LYS n 1 12 PRO n 1 13 LYS n 1 14 ASP n 1 15 THR n 1 16 LEU n 1 17 MET n 1 18 ILE n 1 19 SER n 1 20 ARG n 1 21 THR n 1 22 PRO n 1 23 GLU n 1 24 VAL n 1 25 THR n 1 26 CYS n 1 27 VAL n 1 28 VAL n 1 29 VAL n 1 30 ASP n 1 31 VAL n 1 32 SER n 1 33 HIS n 1 34 GLU n 1 35 ASP n 1 36 PRO n 1 37 GLU n 1 38 VAL n 1 39 LYS n 1 40 PHE n 1 41 ASN n 1 42 TRP n 1 43 TYR n 1 44 VAL n 1 45 ASP n 1 46 GLY n 1 47 VAL n 1 48 GLU n 1 49 VAL n 1 50 HIS n 1 51 ASN n 1 52 ALA n 1 53 LYS n 1 54 THR n 1 55 LYS n 1 56 PRO n 1 57 ARG n 1 58 GLU n 1 59 GLU n 1 60 GLN n 1 61 TYR n 1 62 ASN n 1 63 SER n 1 64 THR n 1 65 TYR n 1 66 ARG n 1 67 VAL n 1 68 VAL n 1 69 SER n 1 70 VAL n 1 71 LEU n 1 72 THR n 1 73 VAL n 1 74 LEU n 1 75 HIS n 1 76 GLN n 1 77 ASP n 1 78 TRP n 1 79 LEU n 1 80 ASN n 1 81 GLY n 1 82 LYS n 1 83 GLU n 1 84 TYR n 1 85 LYS n 1 86 CYS n 1 87 LYS n 1 88 VAL n 1 89 SER n 1 90 ASN n 1 91 LYS n 1 92 ALA n 1 93 LEU n 1 94 PRO n 1 95 ALA n 1 96 PRO n 1 97 ILE n 1 98 GLU n 1 99 LYS n 1 100 THR n 1 101 ILE n 1 102 SER n 1 103 LYS n 1 104 ALA n 1 105 LYS n 1 106 GLY n 1 107 GLN n 1 108 PRO n 1 109 ARG n 1 110 GLU n 1 111 PRO n 1 112 GLN n 1 113 VAL n 1 114 TYR n 1 115 THR n 1 116 LEU n 1 117 PRO n 1 118 PRO n 1 119 SER n 1 120 ARG n 1 121 GLU n 1 122 GLU n 1 123 MET n 1 124 THR n 1 125 LYS n 1 126 ASN n 1 127 GLN n 1 128 VAL n 1 129 SER n 1 130 LEU n 1 131 THR n 1 132 CYS n 1 133 LEU n 1 134 VAL n 1 135 LYS n 1 136 GLY n 1 137 PHE n 1 138 TYR n 1 139 PRO n 1 140 SER n 1 141 ASP n 1 142 ILE n 1 143 ALA n 1 144 VAL n 1 145 GLU n 1 146 TRP n 1 147 GLU n 1 148 SER n 1 149 ASN n 1 150 GLY n 1 151 GLN n 1 152 PRO n 1 153 GLU n 1 154 ASN n 1 155 ASN n 1 156 TYR n 1 157 LYS n 1 158 THR n 1 159 THR n 1 160 PRO n 1 161 PRO n 1 162 VAL n 1 163 LEU n 1 164 ASP n 1 165 SER n 1 166 ASP n 1 167 GLY n 1 168 SER n 1 169 PHE n 1 170 PHE n 1 171 LEU n 1 172 TYR n 1 173 SER n 1 174 LYS n 1 175 LEU n 1 176 THR n 1 177 VAL n 1 178 ASP n 1 179 LYS n 1 180 SER n 1 181 ARG n 1 182 TRP n 1 183 GLN n 1 184 GLN n 1 185 GLY n 1 186 ASN n 1 187 VAL n 1 188 PHE n 1 189 SER n 1 190 CYS n 1 191 SER n 1 192 VAL n 1 193 MET n 1 194 HIS n 1 195 GLU n 1 196 ALA n 1 197 LEU n 1 198 HIS n 1 199 ASN n 1 200 HIS n 1 201 TYR n 1 202 THR n 1 203 GLN n 1 204 LYS n 1 205 SER n 1 206 LEU n 1 207 SER n 1 208 LEU n 1 209 SER n 2 1 SER n 2 2 VAL n 2 3 PHE n 2 4 LEU n 2 5 PHE n 2 6 PRO n 2 7 PRO n 2 8 LYS n 2 9 PRO n 2 10 LYS n 2 11 ASP n 2 12 THR n 2 13 LEU n 2 14 MET n 2 15 ILE n 2 16 SER n 2 17 ARG n 2 18 THR n 2 19 PRO n 2 20 GLU n 2 21 VAL n 2 22 THR n 2 23 CYS n 2 24 VAL n 2 25 VAL n 2 26 VAL n 2 27 ASP n 2 28 VAL n 2 29 SER n 2 30 HIS n 2 31 GLU n 2 32 ASP n 2 33 PRO n 2 34 GLU n 2 35 VAL n 2 36 LYS n 2 37 PHE n 2 38 ASN n 2 39 TRP n 2 40 TYR n 2 41 VAL n 2 42 ASP n 2 43 GLY n 2 44 VAL n 2 45 GLU n 2 46 VAL n 2 47 HIS n 2 48 ASN n 2 49 ALA n 2 50 LYS n 2 51 THR n 2 52 LYS n 2 53 PRO n 2 54 ARG n 2 55 GLU n 2 56 GLU n 2 57 GLN n 2 58 TYR n 2 59 ASN n 2 60 SER n 2 61 THR n 2 62 TYR n 2 63 ARG n 2 64 VAL n 2 65 VAL n 2 66 SER n 2 67 VAL n 2 68 LEU n 2 69 THR n 2 70 VAL n 2 71 LEU n 2 72 HIS n 2 73 GLN n 2 74 ASP n 2 75 TRP n 2 76 LEU n 2 77 ASN n 2 78 GLY n 2 79 LYS n 2 80 GLU n 2 81 TYR n 2 82 LYS n 2 83 CYS n 2 84 LYS n 2 85 VAL n 2 86 SER n 2 87 ASN n 2 88 LYS n 2 89 ALA n 2 90 LEU n 2 91 PRO n 2 92 ALA n 2 93 PRO n 2 94 ILE n 2 95 GLU n 2 96 LYS n 2 97 THR n 2 98 ILE n 2 99 SER n 2 100 LYS n 2 101 ALA n 2 102 LYS n 2 103 GLY n 2 104 GLN n 2 105 PRO n 2 106 ARG n 2 107 GLU n 2 108 PRO n 2 109 GLN n 2 110 VAL n 2 111 TYR n 2 112 THR n 2 113 LEU n 2 114 PRO n 2 115 PRO n 2 116 SER n 2 117 ARG n 2 118 GLU n 2 119 GLU n 2 120 MET n 2 121 THR n 2 122 LYS n 2 123 ASN n 2 124 GLN n 2 125 VAL n 2 126 SER n 2 127 LEU n 2 128 THR n 2 129 CYS n 2 130 LEU n 2 131 VAL n 2 132 LYS n 2 133 GLY n 2 134 PHE n 2 135 TYR n 2 136 PRO n 2 137 SER n 2 138 ASP n 2 139 ILE n 2 140 ALA n 2 141 VAL n 2 142 GLU n 2 143 TRP n 2 144 GLU n 2 145 SER n 2 146 ASN n 2 147 GLY n 2 148 GLN n 2 149 PRO n 2 150 GLU n 2 151 ASN n 2 152 ASN n 2 153 TYR n 2 154 LYS n 2 155 THR n 2 156 THR n 2 157 PRO n 2 158 PRO n 2 159 VAL n 2 160 LEU n 2 161 ASP n 2 162 SER n 2 163 ASP n 2 164 GLY n 2 165 SER n 2 166 PHE n 2 167 PHE n 2 168 LEU n 2 169 TYR n 2 170 SER n 2 171 LYS n 2 172 LEU n 2 173 THR n 2 174 VAL n 2 175 ASP n 2 176 LYS n 2 177 SER n 2 178 ARG n 2 179 TRP n 2 180 GLN n 2 181 GLN n 2 182 GLY n 2 183 ASN n 2 184 VAL n 2 185 PHE n 2 186 SER n 2 187 CYS n 2 188 SER n 2 189 VAL n 2 190 MET n 2 191 HIS n 2 192 GLU n 2 193 ALA n 2 194 LEU n 2 195 HIS n 2 196 ASN n 2 197 HIS n 2 198 TYR n 2 199 THR n 2 200 GLN n 2 201 LYS n 2 202 SER n 2 203 LEU n 2 204 SER n 2 205 LEU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 209 Human ? IGHG1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Bos taurus' 9913 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 205 Human ? IGHG1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Bos taurus' 9913 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP IGHG1_HUMAN P01857 ? 1 ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; 119 2 UNP IGHG1_HUMAN P01857 ? 2 ;SVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKE YKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVL DSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; 122 # 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 5IW6 A 1 ? 209 ? P01857 119 ? 327 ? 259 467 2 2 5IW6 B 1 ? 205 ? P01857 122 ? 326 ? 262 466 # 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 5IW6 GLU A 121 ? UNP P01857 ASP 239 'engineered mutation' 379 1 1 5IW6 MET A 123 ? UNP P01857 LEU 241 'engineered mutation' 381 2 2 5IW6 GLU B 118 ? UNP P01857 ASP 239 'engineered mutation' 379 3 2 5IW6 MET B 120 ? UNP P01857 LEU 241 'engineered mutation' 381 4 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 5IW6 _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 2.92 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 57.91 _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 7.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'PEG 12000, Na HEPES' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 80 _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 PILATUS3 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-03-21 # _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 _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 'SSRF BEAMLINE BL18U1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL18U1 _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5IW6 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.34 _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 24182 _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 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.8 _reflns.pdbx_Rmerge_I_obs 0.087 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 32.1 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.34 _reflns_shell.d_res_low 2.38 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.1 _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 100.0 _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 6.3 _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.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5IW6 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 22794 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.00 _refine.ls_d_res_high 2.34 _refine.ls_percent_reflns_obs 99.55 _refine.ls_R_factor_obs 0.22611 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.22431 _refine.ls_R_factor_R_free 0.25882 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.2 _refine.ls_number_reflns_R_free 1229 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.944 _refine.correlation_coeff_Fo_to_Fc_free 0.927 _refine.B_iso_mean 58.379 _refine.aniso_B[1][1] -2.73 _refine.aniso_B[2][2] 1.61 _refine.aniso_B[3][3] 1.12 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] -0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _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_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 1L6X _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.335 _refine.pdbx_overall_ESU_R_Free 0.241 _refine.overall_SU_ML 0.200 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 8.739 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3173 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 200 _refine_hist.number_atoms_solvent 107 _refine_hist.number_atoms_total 3480 _refine_hist.d_res_high 2.34 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.010 0.019 ? 3486 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 3141 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.470 2.023 ? 4788 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.772 3.000 ? 7242 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.434 5.000 ? 405 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.814 25.290 ? 138 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.808 15.000 ? 522 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 9.565 15.000 ? 8 'X-RAY DIFFRACTION' ? r_chiral_restr 0.084 0.200 ? 579 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.021 ? 3727 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 715 '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' ? r_mcbond_it 3.417 5.751 ? 1627 'X-RAY DIFFRACTION' ? r_mcbond_other 3.411 5.750 ? 1626 'X-RAY DIFFRACTION' ? r_mcangle_it 5.295 8.608 ? 2028 'X-RAY DIFFRACTION' ? r_mcangle_other 5.295 8.609 ? 2029 'X-RAY DIFFRACTION' ? r_scbond_it 3.378 6.296 ? 1859 'X-RAY DIFFRACTION' ? r_scbond_other 3.357 6.297 ? 1859 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 5.342 9.353 ? 2760 'X-RAY DIFFRACTION' ? r_long_range_B_refined 7.958 46.911 ? 3734 'X-RAY DIFFRACTION' ? r_long_range_B_other 7.937 46.934 ? 3709 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.337 _refine_ls_shell.d_res_low 2.398 _refine_ls_shell.number_reflns_R_work 1606 _refine_ls_shell.R_factor_R_work 0.319 _refine_ls_shell.percent_reflns_obs 97.65 _refine_ls_shell.R_factor_R_free 0.329 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 96 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 5IW6 _struct.title 'anti-CD20 monoclonal antibody Fc fragment' _struct.pdbx_descriptor 'Ig gamma-1 chain C region' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5IW6 _struct_keywords.text 'Glycosylation, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 3 ? H N N 5 ? I N N 3 ? J N N 6 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 4 ? O N N 3 ? P N N 5 ? Q N N 3 ? R N N 6 ? S N N 7 ? T N N 7 ? # 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 LYS A 11 ? MET A 17 ? LYS A 269 MET A 275 1 ? 7 HELX_P HELX_P2 AA2 LEU A 74 ? ASN A 80 ? LEU A 332 ASN A 338 1 ? 7 HELX_P HELX_P3 AA3 SER A 119 ? LYS A 125 ? SER A 377 LYS A 383 5 ? 7 HELX_P HELX_P4 AA4 LYS A 179 ? GLN A 184 ? LYS A 437 GLN A 442 1 ? 6 HELX_P HELX_P5 AA5 LEU A 197 ? TYR A 201 ? LEU A 455 TYR A 459 5 ? 5 HELX_P HELX_P6 AA6 LYS B 8 ? MET B 14 ? LYS B 269 MET B 275 1 ? 7 HELX_P HELX_P7 AA7 LEU B 71 ? ASN B 77 ? LEU B 332 ASN B 338 1 ? 7 HELX_P HELX_P8 AA8 SER B 116 ? LYS B 122 ? SER B 377 LYS B 383 5 ? 7 HELX_P HELX_P9 AA9 LYS B 176 ? GLY B 182 ? LYS B 437 GLY B 443 1 ? 7 HELX_P HELX_P10 AB1 LEU B 194 ? TYR B 198 ? LEU B 455 TYR B 459 5 ? 5 # _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 26 SG ? ? ? 1_555 A CYS 86 SG ? ? A CYS 284 A CYS 344 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 132 SG ? ? ? 1_555 A CYS 190 SG ? ? A CYS 390 A CYS 448 1_555 ? ? ? ? ? ? ? 2.064 ? disulf3 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 83 SG ? ? B CYS 284 B CYS 344 1_555 ? ? ? ? ? ? ? 2.056 ? disulf4 disulf ? ? B CYS 129 SG ? ? ? 1_555 B CYS 187 SG ? ? B CYS 390 B CYS 448 1_555 ? ? ? ? ? ? ? 2.041 ? covale1 covale one ? A ASN 62 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 320 A NAG 501 1_555 ? ? ? ? ? ? ? 1.463 ? covale2 covale one ? B ASN 59 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 320 B NAG 501 1_555 ? ? ? ? ? ? ? 1.456 ? covale3 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.447 ? covale4 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.438 ? covale5 covale one ? E BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? A BMA 503 A MAN 506 1_555 ? ? ? ? ? ? ? 1.446 ? covale6 covale one ? E BMA . O6 ? ? ? 1_555 F BMA . C1 ? ? A BMA 503 A BMA 504 1_555 ? ? ? ? ? ? ? 1.420 ? covale7 covale one ? F BMA . O2 ? ? ? 1_555 G NAG . C1 ? ? A BMA 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.440 ? covale8 covale both ? G NAG . O4 ? ? ? 1_555 J GAL . C1 ? ? A NAG 505 A GAL 508 1_555 ? ? ? ? ? ? ? 1.449 ? covale9 covale one ? H MAN . O2 ? ? ? 1_555 I NAG . C1 ? ? A MAN 506 A NAG 507 1_555 ? ? ? ? ? ? ? 1.436 ? covale10 covale both ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.447 ? covale11 covale both ? L NAG . O4 ? ? ? 1_555 M BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.443 ? covale12 covale one ? M BMA . O3 ? ? ? 1_555 P MAN . C1 ? ? B BMA 503 B MAN 506 1_555 ? ? ? ? ? ? ? 1.443 ? covale13 covale one ? M BMA . O6 ? ? ? 1_555 N BMA . C1 ? ? B BMA 503 B BMA 504 1_555 ? ? ? ? ? ? ? 1.437 ? covale14 covale one ? N BMA . O2 ? ? ? 1_555 O NAG . C1 ? ? B BMA 504 B NAG 505 1_555 ? ? ? ? ? ? ? 1.454 ? covale15 covale both ? O NAG . O4 ? ? ? 1_555 R GAL . C1 ? ? B NAG 505 B GAL 508 1_555 ? ? ? ? ? ? ? 1.456 ? covale16 covale one ? P MAN . O2 ? ? ? 1_555 Q NAG . C1 ? ? B MAN 506 B NAG 507 1_555 ? ? ? ? ? ? ? 1.439 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 138 A . ? TYR 396 A PRO 139 A ? PRO 397 A 1 -4.26 2 TYR 58 B . ? TYR 319 B ASN 59 B ? ASN 320 B 1 6.13 3 TYR 135 B . ? TYR 396 B PRO 136 B ? PRO 397 B 1 -8.68 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 SER A 4 ? PHE A 8 ? SER A 262 PHE A 266 AA1 2 GLU A 23 ? VAL A 31 ? GLU A 281 VAL A 289 AA1 3 TYR A 65 ? THR A 72 ? TYR A 323 THR A 330 AA1 4 LYS A 53 ? THR A 54 ? LYS A 311 THR A 312 AA2 1 SER A 4 ? PHE A 8 ? SER A 262 PHE A 266 AA2 2 GLU A 23 ? VAL A 31 ? GLU A 281 VAL A 289 AA2 3 TYR A 65 ? THR A 72 ? TYR A 323 THR A 330 AA2 4 GLU A 58 ? GLU A 59 ? GLU A 316 GLU A 317 AA3 1 VAL A 47 ? VAL A 49 ? VAL A 305 VAL A 307 AA3 2 VAL A 38 ? VAL A 44 ? VAL A 296 VAL A 302 AA3 3 TYR A 84 ? ASN A 90 ? TYR A 342 ASN A 348 AA3 4 ILE A 97 ? ILE A 101 ? ILE A 355 ILE A 359 AA4 1 GLN A 112 ? LEU A 116 ? GLN A 370 LEU A 374 AA4 2 GLN A 127 ? PHE A 137 ? GLN A 385 PHE A 395 AA4 3 PHE A 169 ? ASP A 178 ? PHE A 427 ASP A 436 AA4 4 TYR A 156 ? THR A 158 ? TYR A 414 THR A 416 AA5 1 GLN A 112 ? LEU A 116 ? GLN A 370 LEU A 374 AA5 2 GLN A 127 ? PHE A 137 ? GLN A 385 PHE A 395 AA5 3 PHE A 169 ? ASP A 178 ? PHE A 427 ASP A 436 AA5 4 VAL A 162 ? LEU A 163 ? VAL A 420 LEU A 421 AA6 1 GLN A 151 ? PRO A 152 ? GLN A 409 PRO A 410 AA6 2 ALA A 143 ? SER A 148 ? ALA A 401 SER A 406 AA6 3 PHE A 188 ? MET A 193 ? PHE A 446 MET A 451 AA6 4 THR A 202 ? LEU A 206 ? THR A 460 LEU A 464 AA7 1 LEU B 4 ? PHE B 5 ? LEU B 265 PHE B 266 AA7 2 GLU B 20 ? VAL B 25 ? GLU B 281 VAL B 286 AA7 3 VAL B 64 ? THR B 69 ? VAL B 325 THR B 330 AA7 4 LYS B 50 ? THR B 51 ? LYS B 311 THR B 312 AA8 1 GLU B 45 ? VAL B 46 ? GLU B 306 VAL B 307 AA8 2 ASN B 38 ? VAL B 41 ? ASN B 299 VAL B 302 AA8 3 TYR B 81 ? VAL B 85 ? TYR B 342 VAL B 346 AA8 4 ILE B 94 ? ILE B 98 ? ILE B 355 ILE B 359 AA9 1 GLN B 109 ? LEU B 113 ? GLN B 370 LEU B 374 AA9 2 GLN B 124 ? PHE B 134 ? GLN B 385 PHE B 395 AA9 3 PHE B 166 ? ASP B 175 ? PHE B 427 ASP B 436 AA9 4 TYR B 153 ? THR B 155 ? TYR B 414 THR B 416 AB1 1 GLN B 109 ? LEU B 113 ? GLN B 370 LEU B 374 AB1 2 GLN B 124 ? PHE B 134 ? GLN B 385 PHE B 395 AB1 3 PHE B 166 ? ASP B 175 ? PHE B 427 ASP B 436 AB1 4 VAL B 159 ? LEU B 160 ? VAL B 420 LEU B 421 AB2 1 GLN B 148 ? PRO B 149 ? GLN B 409 PRO B 410 AB2 2 ALA B 140 ? SER B 145 ? ALA B 401 SER B 406 AB2 3 PHE B 185 ? MET B 190 ? PHE B 446 MET B 451 AB2 4 THR B 199 ? LEU B 203 ? THR B 460 LEU B 464 # 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 PHE A 6 ? N PHE A 264 O VAL A 27 ? O VAL A 285 AA1 2 3 N VAL A 28 ? N VAL A 286 O VAL A 67 ? O VAL A 325 AA1 3 4 O VAL A 70 ? O VAL A 328 N LYS A 53 ? N LYS A 311 AA2 1 2 N PHE A 6 ? N PHE A 264 O VAL A 27 ? O VAL A 285 AA2 2 3 N VAL A 28 ? N VAL A 286 O VAL A 67 ? O VAL A 325 AA2 3 4 O ARG A 66 ? O ARG A 324 N GLU A 58 ? N GLU A 316 AA3 1 2 O VAL A 49 ? O VAL A 307 N TRP A 42 ? N TRP A 300 AA3 2 3 N LYS A 39 ? N LYS A 297 O SER A 89 ? O SER A 347 AA3 3 4 N VAL A 88 ? N VAL A 346 O ILE A 97 ? O ILE A 355 AA4 1 2 N TYR A 114 ? N TYR A 372 O LEU A 133 ? O LEU A 391 AA4 2 3 N LEU A 130 ? N LEU A 388 O LEU A 175 ? O LEU A 433 AA4 3 4 O LYS A 174 ? O LYS A 432 N LYS A 157 ? N LYS A 415 AA5 1 2 N TYR A 114 ? N TYR A 372 O LEU A 133 ? O LEU A 391 AA5 2 3 N LEU A 130 ? N LEU A 388 O LEU A 175 ? O LEU A 433 AA5 3 4 O PHE A 170 ? O PHE A 428 N VAL A 162 ? N VAL A 420 AA6 1 2 O GLN A 151 ? O GLN A 409 N SER A 148 ? N SER A 406 AA6 2 3 N GLU A 145 ? N GLU A 403 O SER A 191 ? O SER A 449 AA6 3 4 N PHE A 188 ? N PHE A 446 O LEU A 206 ? O LEU A 464 AA7 1 2 N PHE B 5 ? N PHE B 266 O THR B 22 ? O THR B 283 AA7 2 3 N VAL B 21 ? N VAL B 282 O LEU B 68 ? O LEU B 329 AA7 3 4 O VAL B 67 ? O VAL B 328 N LYS B 50 ? N LYS B 311 AA8 1 2 O VAL B 46 ? O VAL B 307 N TRP B 39 ? N TRP B 300 AA8 2 3 N TYR B 40 ? N TYR B 301 O LYS B 82 ? O LYS B 343 AA8 3 4 N VAL B 85 ? N VAL B 346 O ILE B 94 ? O ILE B 355 AA9 1 2 N LEU B 113 ? N LEU B 374 O THR B 128 ? O THR B 389 AA9 2 3 N LEU B 127 ? N LEU B 388 O LEU B 172 ? O LEU B 433 AA9 3 4 O LYS B 171 ? O LYS B 432 N LYS B 154 ? N LYS B 415 AB1 1 2 N LEU B 113 ? N LEU B 374 O THR B 128 ? O THR B 389 AB1 2 3 N LEU B 127 ? N LEU B 388 O LEU B 172 ? O LEU B 433 AB1 3 4 O PHE B 167 ? O PHE B 428 N VAL B 159 ? N VAL B 420 AB2 1 2 O GLN B 148 ? O GLN B 409 N SER B 145 ? N SER B 406 AB2 2 3 N GLU B 142 ? N GLU B 403 O SER B 188 ? O SER B 449 AB2 3 4 N PHE B 185 ? N PHE B 446 O LEU B 203 ? O LEU B 464 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ASN 320 ? 17 'binding site for Poly-Saccharide residues NAG A 501 through GAL A 508 bound to ASN A 320' AC2 Software B ASN 320 ? 14 'binding site for Poly-Saccharide residues NAG B 501 through GAL B 508 bound to ASN B 320' # 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 17 PHE A 6 ? PHE A 264 . ? 1_555 ? 2 AC1 17 PHE A 8 ? PHE A 266 . ? 1_555 ? 3 AC1 17 PRO A 9 ? PRO A 267 . ? 1_555 ? 4 AC1 17 PRO A 10 ? PRO A 268 . ? 1_555 ? 5 AC1 17 LYS A 11 ? LYS A 269 . ? 1_555 ? 6 AC1 17 GLU A 23 ? GLU A 281 . ? 1_555 ? 7 AC1 17 THR A 25 ? THR A 283 . ? 1_555 ? 8 AC1 17 VAL A 29 ? VAL A 287 . ? 1_555 ? 9 AC1 17 ASP A 30 ? ASP A 288 . ? 1_555 ? 10 AC1 17 ASN A 62 ? ASN A 320 . ? 1_555 ? 11 AC1 17 THR A 64 ? THR A 322 . ? 1_555 ? 12 AC1 17 ARG A 66 ? ARG A 324 . ? 1_555 ? 13 AC1 17 HOH S . ? HOH A 605 . ? 1_555 ? 14 AC1 17 HOH S . ? HOH A 629 . ? 1_555 ? 15 AC1 17 ASN B 146 ? ASN B 407 . ? 3_555 ? 16 AC1 17 BMA M . ? BMA B 503 . ? 1_555 ? 17 AC1 17 MAN P . ? MAN B 506 . ? 1_555 ? 18 AC2 14 ASN A 149 ? ASN A 407 . ? 3_545 ? 19 AC2 14 MAN H . ? MAN A 506 . ? 1_555 ? 20 AC2 14 PHE B 3 ? PHE B 264 . ? 1_555 ? 21 AC2 14 PHE B 5 ? PHE B 266 . ? 1_555 ? 22 AC2 14 PRO B 6 ? PRO B 267 . ? 1_555 ? 23 AC2 14 PRO B 7 ? PRO B 268 . ? 1_555 ? 24 AC2 14 LYS B 8 ? LYS B 269 . ? 1_555 ? 25 AC2 14 GLU B 20 ? GLU B 281 . ? 1_555 ? 26 AC2 14 THR B 22 ? THR B 283 . ? 1_555 ? 27 AC2 14 VAL B 24 ? VAL B 285 . ? 1_555 ? 28 AC2 14 VAL B 26 ? VAL B 287 . ? 1_555 ? 29 AC2 14 ASP B 27 ? ASP B 288 . ? 1_555 ? 30 AC2 14 ASN B 59 ? ASN B 320 . ? 1_555 ? 31 AC2 14 LYS B 96 ? LYS B 357 . ? 1_555 ? # _atom_sites.entry_id 5IW6 _atom_sites.fract_transf_matrix[1][1] 0.020222 _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] 0.012499 _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] 0.007178 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? 6.358 3.940 73.757 1.00 91.49 ? 259 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 6.817 4.345 72.398 1.00 91.84 ? 259 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 6.996 5.851 72.282 1.00 90.98 ? 259 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 6.023 6.604 72.319 1.00 89.39 ? 259 GLY A O 1 ATOM 5 N N . GLY A 1 2 ? 8.242 6.292 72.136 1.00 87.18 ? 260 GLY A N 1 ATOM 6 C CA . GLY A 1 2 ? 8.550 7.717 72.074 1.00 80.67 ? 260 GLY A CA 1 ATOM 7 C C . GLY A 1 2 ? 8.352 8.319 70.690 1.00 75.32 ? 260 GLY A C 1 ATOM 8 O O . GLY A 1 2 ? 7.445 7.933 69.946 1.00 73.81 ? 260 GLY A O 1 ATOM 9 N N . PRO A 1 3 ? 9.196 9.288 70.332 1.00 72.28 ? 261 PRO A N 1 ATOM 10 C CA . PRO A 1 3 ? 9.107 9.876 69.002 1.00 72.35 ? 261 PRO A CA 1 ATOM 11 C C . PRO A 1 3 ? 9.562 8.907 67.911 1.00 69.89 ? 261 PRO A C 1 ATOM 12 O O . PRO A 1 3 ? 10.359 8.005 68.181 1.00 67.74 ? 261 PRO A O 1 ATOM 13 C CB . PRO A 1 3 ? 10.051 11.075 69.087 1.00 71.61 ? 261 PRO A CB 1 ATOM 14 C CG . PRO A 1 3 ? 11.035 10.720 70.142 1.00 72.29 ? 261 PRO A CG 1 ATOM 15 C CD . PRO A 1 3 ? 10.289 9.873 71.128 1.00 77.11 ? 261 PRO A CD 1 ATOM 16 N N . SER A 1 4 ? 9.038 9.092 66.700 1.00 65.97 ? 262 SER A N 1 ATOM 17 C CA . SER A 1 4 ? 9.385 8.249 65.551 1.00 63.11 ? 262 SER A CA 1 ATOM 18 C C . SER A 1 4 ? 10.107 9.046 64.479 1.00 60.15 ? 262 SER A C 1 ATOM 19 O O . SER A 1 4 ? 9.958 10.267 64.414 1.00 55.85 ? 262 SER A O 1 ATOM 20 C CB . SER A 1 4 ? 8.135 7.618 64.949 1.00 60.53 ? 262 SER A CB 1 ATOM 21 O OG . SER A 1 4 ? 7.675 6.577 65.775 1.00 59.12 ? 262 SER A OG 1 ATOM 22 N N . VAL A 1 5 ? 10.871 8.332 63.642 1.00 59.39 ? 263 VAL A N 1 ATOM 23 C CA . VAL A 1 5 ? 11.683 8.937 62.579 1.00 55.25 ? 263 VAL A CA 1 ATOM 24 C C . VAL A 1 5 ? 11.393 8.332 61.199 1.00 52.92 ? 263 VAL A C 1 ATOM 25 O O . VAL A 1 5 ? 11.361 7.107 61.023 1.00 49.30 ? 263 VAL A O 1 ATOM 26 C CB . VAL A 1 5 ? 13.197 8.775 62.832 1.00 54.12 ? 263 VAL A CB 1 ATOM 27 C CG1 . VAL A 1 5 ? 13.998 9.584 61.811 1.00 53.36 ? 263 VAL A CG1 1 ATOM 28 C CG2 . VAL A 1 5 ? 13.561 9.180 64.261 1.00 57.45 ? 263 VAL A CG2 1 ATOM 29 N N . PHE A 1 6 ? 11.229 9.220 60.224 1.00 50.08 ? 264 PHE A N 1 ATOM 30 C CA . PHE A 1 6 ? 11.003 8.843 58.849 1.00 52.07 ? 264 PHE A CA 1 ATOM 31 C C . PHE A 1 6 ? 11.960 9.618 57.967 1.00 50.08 ? 264 PHE A C 1 ATOM 32 O O . PHE A 1 6 ? 12.159 10.821 58.171 1.00 50.87 ? 264 PHE A O 1 ATOM 33 C CB . PHE A 1 6 ? 9.560 9.125 58.459 1.00 55.64 ? 264 PHE A CB 1 ATOM 34 C CG . PHE A 1 6 ? 8.567 8.331 59.251 1.00 62.68 ? 264 PHE A CG 1 ATOM 35 C CD1 . PHE A 1 6 ? 8.348 6.992 58.964 1.00 64.83 ? 264 PHE A CD1 1 ATOM 36 C CD2 . PHE A 1 6 ? 7.871 8.915 60.307 1.00 66.25 ? 264 PHE A CD2 1 ATOM 37 C CE1 . PHE A 1 6 ? 7.439 6.254 59.700 1.00 66.50 ? 264 PHE A CE1 1 ATOM 38 C CE2 . PHE A 1 6 ? 6.962 8.179 61.045 1.00 65.98 ? 264 PHE A CE2 1 ATOM 39 C CZ . PHE A 1 6 ? 6.742 6.848 60.737 1.00 67.74 ? 264 PHE A CZ 1 ATOM 40 N N . LEU A 1 7 ? 12.543 8.917 56.988 1.00 48.72 ? 265 LEU A N 1 ATOM 41 C CA . LEU A 1 7 ? 13.571 9.473 56.110 1.00 44.92 ? 265 LEU A CA 1 ATOM 42 C C . LEU A 1 7 ? 13.175 9.350 54.641 1.00 44.88 ? 265 LEU A C 1 ATOM 43 O O . LEU A 1 7 ? 13.004 8.257 54.128 1.00 49.19 ? 265 LEU A O 1 ATOM 44 C CB . LEU A 1 7 ? 14.897 8.779 56.371 1.00 42.41 ? 265 LEU A CB 1 ATOM 45 C CG . LEU A 1 7 ? 16.134 9.368 55.705 1.00 42.98 ? 265 LEU A CG 1 ATOM 46 C CD1 . LEU A 1 7 ? 16.307 10.832 56.087 1.00 43.92 ? 265 LEU A CD1 1 ATOM 47 C CD2 . LEU A 1 7 ? 17.375 8.554 56.061 1.00 42.97 ? 265 LEU A CD2 1 ATOM 48 N N . PHE A 1 8 ? 13.066 10.482 53.963 1.00 42.79 ? 266 PHE A N 1 ATOM 49 C CA . PHE A 1 8 ? 12.547 10.508 52.621 1.00 43.14 ? 266 PHE A CA 1 ATOM 50 C C . PHE A 1 8 ? 13.635 10.848 51.624 1.00 42.07 ? 266 PHE A C 1 ATOM 51 O O . PHE A 1 8 ? 14.463 11.752 51.871 1.00 38.60 ? 266 PHE A O 1 ATOM 52 C CB . PHE A 1 8 ? 11.421 11.531 52.520 1.00 46.78 ? 266 PHE A CB 1 ATOM 53 C CG . PHE A 1 8 ? 10.302 11.265 53.465 1.00 48.54 ? 266 PHE A CG 1 ATOM 54 C CD1 . PHE A 1 8 ? 9.283 10.409 53.110 1.00 47.88 ? 266 PHE A CD1 1 ATOM 55 C CD2 . PHE A 1 8 ? 10.286 11.844 54.726 1.00 51.57 ? 266 PHE A CD2 1 ATOM 56 C CE1 . PHE A 1 8 ? 8.237 10.153 53.980 1.00 48.04 ? 266 PHE A CE1 1 ATOM 57 C CE2 . PHE A 1 8 ? 9.245 11.591 55.603 1.00 49.31 ? 266 PHE A CE2 1 ATOM 58 C CZ . PHE A 1 8 ? 8.223 10.742 55.228 1.00 47.71 ? 266 PHE A CZ 1 ATOM 59 N N . PRO A 1 9 ? 13.634 10.137 50.482 1.00 37.55 ? 267 PRO A N 1 ATOM 60 C CA . PRO A 1 9 ? 14.618 10.386 49.449 1.00 38.66 ? 267 PRO A CA 1 ATOM 61 C C . PRO A 1 9 ? 14.224 11.632 48.652 1.00 37.67 ? 267 PRO A C 1 ATOM 62 O O . PRO A 1 9 ? 13.120 12.134 48.831 1.00 39.85 ? 267 PRO A O 1 ATOM 63 C CB . PRO A 1 9 ? 14.498 9.139 48.583 1.00 40.25 ? 267 PRO A CB 1 ATOM 64 C CG . PRO A 1 9 ? 13.029 8.845 48.615 1.00 39.40 ? 267 PRO A CG 1 ATOM 65 C CD . PRO A 1 9 ? 12.636 9.141 50.047 1.00 37.98 ? 267 PRO A CD 1 ATOM 66 N N . PRO A 1 10 ? 15.111 12.117 47.780 1.00 35.49 ? 268 PRO A N 1 ATOM 67 C CA . PRO A 1 10 ? 14.723 13.151 46.842 1.00 36.37 ? 268 PRO A CA 1 ATOM 68 C C . PRO A 1 10 ? 13.774 12.614 45.791 1.00 39.68 ? 268 PRO A C 1 ATOM 69 O O . PRO A 1 10 ? 13.519 11.410 45.724 1.00 35.92 ? 268 PRO A O 1 ATOM 70 C CB . PRO A 1 10 ? 16.036 13.520 46.164 1.00 36.48 ? 268 PRO A CB 1 ATOM 71 C CG . PRO A 1 10 ? 16.831 12.261 46.196 1.00 38.90 ? 268 PRO A CG 1 ATOM 72 C CD . PRO A 1 10 ? 16.453 11.576 47.485 1.00 38.12 ? 268 PRO A CD 1 ATOM 73 N N . LYS A 1 11 ? 13.275 13.519 44.969 1.00 44.31 ? 269 LYS A N 1 ATOM 74 C CA . LYS A 1 11 ? 12.349 13.160 43.912 1.00 48.35 ? 269 LYS A CA 1 ATOM 75 C C . LYS A 1 11 ? 13.172 12.763 42.711 1.00 45.26 ? 269 LYS A C 1 ATOM 76 O O . LYS A 1 11 ? 14.210 13.356 42.441 1.00 46.55 ? 269 LYS A O 1 ATOM 77 C CB . LYS A 1 11 ? 11.424 14.331 43.586 1.00 53.54 ? 269 LYS A CB 1 ATOM 78 C CG . LYS A 1 11 ? 10.421 14.621 44.702 1.00 57.95 ? 269 LYS A CG 1 ATOM 79 C CD . LYS A 1 11 ? 9.211 13.690 44.614 1.00 62.39 ? 269 LYS A CD 1 ATOM 80 C CE . LYS A 1 11 ? 8.667 13.282 45.981 1.00 69.80 ? 269 LYS A CE 1 ATOM 81 N NZ . LYS A 1 11 ? 8.142 14.397 46.824 1.00 69.43 ? 269 LYS A NZ 1 ATOM 82 N N . PRO A 1 12 ? 12.731 11.738 41.988 1.00 45.47 ? 270 PRO A N 1 ATOM 83 C CA . PRO A 1 12 ? 13.557 11.229 40.926 1.00 42.03 ? 270 PRO A CA 1 ATOM 84 C C . PRO A 1 12 ? 13.963 12.274 39.909 1.00 42.74 ? 270 PRO A C 1 ATOM 85 O O . PRO A 1 12 ? 15.061 12.181 39.361 1.00 41.21 ? 270 PRO A O 1 ATOM 86 C CB . PRO A 1 12 ? 12.665 10.159 40.294 1.00 46.94 ? 270 PRO A CB 1 ATOM 87 C CG . PRO A 1 12 ? 11.863 9.652 41.449 1.00 49.08 ? 270 PRO A CG 1 ATOM 88 C CD . PRO A 1 12 ? 11.496 10.942 42.133 1.00 49.58 ? 270 PRO A CD 1 ATOM 89 N N . LYS A 1 13 ? 13.103 13.268 39.671 1.00 43.60 ? 271 LYS A N 1 ATOM 90 C CA . LYS A 1 13 ? 13.393 14.310 38.686 1.00 45.10 ? 271 LYS A CA 1 ATOM 91 C C . LYS A 1 13 ? 14.538 15.196 39.164 1.00 42.81 ? 271 LYS A C 1 ATOM 92 O O . LYS A 1 13 ? 15.352 15.669 38.363 1.00 41.02 ? 271 LYS A O 1 ATOM 93 C CB . LYS A 1 13 ? 12.129 15.138 38.415 1.00 49.82 ? 271 LYS A CB 1 ATOM 94 C CG . LYS A 1 13 ? 12.096 15.863 37.075 1.00 53.32 ? 271 LYS A CG 1 ATOM 95 C CD . LYS A 1 13 ? 10.694 16.400 36.744 1.00 52.71 ? 271 LYS A CD 1 ATOM 96 N N . ASP A 1 14 ? 14.604 15.384 40.480 1.00 41.88 ? 272 ASP A N 1 ATOM 97 C CA . ASP A 1 14 ? 15.551 16.300 41.108 1.00 42.82 ? 272 ASP A CA 1 ATOM 98 C C . ASP A 1 14 ? 16.991 15.831 41.031 1.00 42.60 ? 272 ASP A C 1 ATOM 99 O O . ASP A 1 14 ? 17.905 16.647 40.873 1.00 40.91 ? 272 ASP A O 1 ATOM 100 C CB . ASP A 1 14 ? 15.182 16.527 42.577 1.00 46.99 ? 272 ASP A CB 1 ATOM 101 C CG . ASP A 1 14 ? 13.902 17.343 42.756 1.00 47.62 ? 272 ASP A CG 1 ATOM 102 O OD1 . ASP A 1 14 ? 13.475 18.074 41.826 1.00 48.19 ? 272 ASP A OD1 1 ATOM 103 O OD2 . ASP A 1 14 ? 13.328 17.254 43.853 1.00 48.86 ? 272 ASP A OD2 1 ATOM 104 N N . THR A 1 15 ? 17.198 14.522 41.132 1.00 39.57 ? 273 THR A N 1 ATOM 105 C CA . THR A 1 15 ? 18.556 13.961 41.075 1.00 39.55 ? 273 THR A CA 1 ATOM 106 C C . THR A 1 15 ? 19.079 13.906 39.641 1.00 37.86 ? 273 THR A C 1 ATOM 107 O O . THR A 1 15 ? 20.262 13.758 39.415 1.00 39.46 ? 273 THR A O 1 ATOM 108 C CB . THR A 1 15 ? 18.591 12.538 41.658 1.00 40.45 ? 273 THR A CB 1 ATOM 109 O OG1 . THR A 1 15 ? 17.727 11.700 40.892 1.00 40.95 ? 273 THR A OG1 1 ATOM 110 C CG2 . THR A 1 15 ? 18.078 12.504 43.100 1.00 43.00 ? 273 THR A CG2 1 ATOM 111 N N . LEU A 1 16 ? 18.184 14.018 38.676 1.00 40.05 ? 274 LEU A N 1 ATOM 112 C CA . LEU A 1 16 ? 18.519 13.843 37.282 1.00 41.28 ? 274 LEU A CA 1 ATOM 113 C C . LEU A 1 16 ? 18.778 15.130 36.514 1.00 44.78 ? 274 LEU A C 1 ATOM 114 O O . LEU A 1 16 ? 19.295 15.086 35.402 1.00 42.41 ? 274 LEU A O 1 ATOM 115 C CB . LEU A 1 16 ? 17.387 13.092 36.588 1.00 41.47 ? 274 LEU A CB 1 ATOM 116 C CG . LEU A 1 16 ? 17.159 11.672 37.112 1.00 41.13 ? 274 LEU A CG 1 ATOM 117 C CD1 . LEU A 1 16 ? 15.822 11.104 36.638 1.00 42.96 ? 274 LEU A CD1 1 ATOM 118 C CD2 . LEU A 1 16 ? 18.314 10.780 36.692 1.00 41.49 ? 274 LEU A CD2 1 ATOM 119 N N . MET A 1 17 ? 18.413 16.269 37.085 1.00 47.48 ? 275 MET A N 1 ATOM 120 C CA . MET A 1 17 ? 18.588 17.534 36.396 1.00 46.50 ? 275 MET A CA 1 ATOM 121 C C . MET A 1 17 ? 19.430 18.444 37.257 1.00 41.61 ? 275 MET A C 1 ATOM 122 O O . MET A 1 17 ? 19.093 18.687 38.406 1.00 39.00 ? 275 MET A O 1 ATOM 123 C CB . MET A 1 17 ? 17.221 18.149 36.113 1.00 52.56 ? 275 MET A CB 1 ATOM 124 C CG . MET A 1 17 ? 16.339 17.238 35.270 1.00 56.67 ? 275 MET A CG 1 ATOM 125 S SD . MET A 1 17 ? 14.702 17.939 35.008 1.00 64.11 ? 275 MET A SD 1 ATOM 126 C CE . MET A 1 17 ? 15.075 19.237 33.836 1.00 63.54 ? 275 MET A CE 1 ATOM 127 N N . ILE A 1 18 ? 20.542 18.917 36.703 1.00 45.19 ? 276 ILE A N 1 ATOM 128 C CA . ILE A 1 18 ? 21.467 19.811 37.419 1.00 49.37 ? 276 ILE A CA 1 ATOM 129 C C . ILE A 1 18 ? 20.764 21.059 37.914 1.00 48.99 ? 276 ILE A C 1 ATOM 130 O O . ILE A 1 18 ? 21.094 21.598 38.978 1.00 50.99 ? 276 ILE A O 1 ATOM 131 C CB . ILE A 1 18 ? 22.614 20.303 36.511 1.00 55.52 ? 276 ILE A CB 1 ATOM 132 C CG1 . ILE A 1 18 ? 23.434 19.136 35.952 1.00 58.74 ? 276 ILE A CG1 1 ATOM 133 C CG2 . ILE A 1 18 ? 23.523 21.267 37.273 1.00 60.14 ? 276 ILE A CG2 1 ATOM 134 C CD1 . ILE A 1 18 ? 23.817 18.086 36.973 1.00 57.33 ? 276 ILE A CD1 1 ATOM 135 N N . SER A 1 19 ? 19.803 21.515 37.119 1.00 49.09 ? 277 SER A N 1 ATOM 136 C CA . SER A 1 19 ? 19.016 22.708 37.422 1.00 51.58 ? 277 SER A CA 1 ATOM 137 C C . SER A 1 19 ? 18.233 22.589 38.734 1.00 49.48 ? 277 SER A C 1 ATOM 138 O O . SER A 1 19 ? 17.974 23.582 39.401 1.00 43.99 ? 277 SER A O 1 ATOM 139 C CB . SER A 1 19 ? 18.041 22.955 36.275 1.00 52.33 ? 277 SER A CB 1 ATOM 140 O OG . SER A 1 19 ? 17.221 21.813 36.076 1.00 57.82 ? 277 SER A OG 1 ATOM 141 N N . ARG A 1 20 ? 17.849 21.369 39.101 1.00 48.77 ? 278 ARG A N 1 ATOM 142 C CA . ARG A 1 20 ? 17.052 21.174 40.314 1.00 48.79 ? 278 ARG A CA 1 ATOM 143 C C . ARG A 1 20 ? 17.903 20.824 41.533 1.00 42.63 ? 278 ARG A C 1 ATOM 144 O O . ARG A 1 20 ? 19.111 20.584 41.429 1.00 46.25 ? 278 ARG A O 1 ATOM 145 C CB . ARG A 1 20 ? 15.952 20.157 40.043 1.00 51.79 ? 278 ARG A CB 1 ATOM 146 C CG . ARG A 1 20 ? 15.126 20.573 38.822 1.00 53.82 ? 278 ARG A CG 1 ATOM 147 C CD . ARG A 1 20 ? 14.258 19.436 38.344 1.00 58.51 ? 278 ARG A CD 1 ATOM 148 N NE . ARG A 1 20 ? 13.199 19.258 39.316 1.00 65.62 ? 278 ARG A NE 1 ATOM 149 C CZ . ARG A 1 20 ? 11.989 19.798 39.222 1.00 65.24 ? 278 ARG A CZ 1 ATOM 150 N NH1 . ARG A 1 20 ? 11.640 20.517 38.154 1.00 64.15 ? 278 ARG A NH1 1 ATOM 151 N NH2 . ARG A 1 20 ? 11.123 19.597 40.205 1.00 64.57 ? 278 ARG A NH2 1 ATOM 152 N N . THR A 1 21 ? 17.259 20.835 42.684 1.00 41.70 ? 279 THR A N 1 ATOM 153 C CA . THR A 1 21 ? 17.923 20.705 43.959 1.00 46.56 ? 279 THR A CA 1 ATOM 154 C C . THR A 1 21 ? 17.377 19.505 44.696 1.00 45.76 ? 279 THR A C 1 ATOM 155 O O . THR A 1 21 ? 16.313 19.592 45.313 1.00 43.16 ? 279 THR A O 1 ATOM 156 C CB . THR A 1 21 ? 17.664 21.949 44.809 1.00 51.02 ? 279 THR A CB 1 ATOM 157 O OG1 . THR A 1 21 ? 18.244 23.069 44.140 1.00 55.04 ? 279 THR A OG1 1 ATOM 158 C CG2 . THR A 1 21 ? 18.280 21.811 46.208 1.00 52.08 ? 279 THR A CG2 1 ATOM 159 N N . PRO A 1 22 ? 18.100 18.373 44.642 1.00 45.38 ? 280 PRO A N 1 ATOM 160 C CA . PRO A 1 22 ? 17.628 17.162 45.340 1.00 41.60 ? 280 PRO A CA 1 ATOM 161 C C . PRO A 1 22 ? 17.926 17.208 46.815 1.00 37.24 ? 280 PRO A C 1 ATOM 162 O O . PRO A 1 22 ? 18.977 17.687 47.213 1.00 35.39 ? 280 PRO A O 1 ATOM 163 C CB . PRO A 1 22 ? 18.429 16.059 44.679 1.00 44.33 ? 280 PRO A CB 1 ATOM 164 C CG . PRO A 1 22 ? 19.704 16.742 44.284 1.00 44.07 ? 280 PRO A CG 1 ATOM 165 C CD . PRO A 1 22 ? 19.273 18.096 43.801 1.00 43.92 ? 280 PRO A CD 1 ATOM 166 N N . GLU A 1 23 ? 17.003 16.704 47.619 1.00 35.82 ? 281 GLU A N 1 ATOM 167 C CA . GLU A 1 23 ? 17.151 16.737 49.065 1.00 37.81 ? 281 GLU A CA 1 ATOM 168 C C . GLU A 1 23 ? 16.691 15.450 49.689 1.00 36.70 ? 281 GLU A C 1 ATOM 169 O O . GLU A 1 23 ? 15.799 14.790 49.171 1.00 35.12 ? 281 GLU A O 1 ATOM 170 C CB . GLU A 1 23 ? 16.286 17.852 49.665 1.00 39.27 ? 281 GLU A CB 1 ATOM 171 C CG . GLU A 1 23 ? 16.297 19.127 48.856 1.00 44.98 ? 281 GLU A CG 1 ATOM 172 C CD . GLU A 1 23 ? 15.449 20.216 49.470 1.00 47.39 ? 281 GLU A CD 1 ATOM 173 O OE1 . GLU A 1 23 ? 16.026 21.269 49.823 1.00 50.43 ? 281 GLU A OE1 1 ATOM 174 O OE2 . GLU A 1 23 ? 14.227 20.005 49.606 1.00 51.05 ? 281 GLU A OE2 1 ATOM 175 N N . VAL A 1 24 ? 17.241 15.153 50.860 1.00 38.57 ? 282 VAL A N 1 ATOM 176 C CA . VAL A 1 24 ? 16.726 14.072 51.698 1.00 39.35 ? 282 VAL A CA 1 ATOM 177 C C . VAL A 1 24 ? 16.189 14.710 52.950 1.00 38.86 ? 282 VAL A C 1 ATOM 178 O O . VAL A 1 24 ? 16.745 15.692 53.447 1.00 42.56 ? 282 VAL A O 1 ATOM 179 C CB . VAL A 1 24 ? 17.795 13.026 52.039 1.00 43.30 ? 282 VAL A CB 1 ATOM 180 C CG1 . VAL A 1 24 ? 18.304 12.356 50.769 1.00 47.95 ? 282 VAL A CG1 1 ATOM 181 C CG2 . VAL A 1 24 ? 18.963 13.657 52.749 1.00 46.91 ? 282 VAL A CG2 1 ATOM 182 N N . THR A 1 25 ? 15.093 14.168 53.445 1.00 39.75 ? 283 THR A N 1 ATOM 183 C CA . THR A 1 25 ? 14.359 14.812 54.504 1.00 43.11 ? 283 THR A CA 1 ATOM 184 C C . THR A 1 25 ? 14.114 13.860 55.652 1.00 41.60 ? 283 THR A C 1 ATOM 185 O O . THR A 1 25 ? 13.512 12.805 55.482 1.00 41.43 ? 283 THR A O 1 ATOM 186 C CB . THR A 1 25 ? 13.022 15.327 53.966 1.00 44.49 ? 283 THR A CB 1 ATOM 187 O OG1 . THR A 1 25 ? 13.287 16.140 52.826 1.00 44.27 ? 283 THR A OG1 1 ATOM 188 C CG2 . THR A 1 25 ? 12.304 16.127 55.003 1.00 43.25 ? 283 THR A CG2 1 ATOM 189 N N . CYS A 1 26 ? 14.580 14.259 56.825 1.00 42.14 ? 284 CYS A N 1 ATOM 190 C CA . CYS A 1 26 ? 14.447 13.458 58.011 1.00 43.98 ? 284 CYS A CA 1 ATOM 191 C C . CYS A 1 26 ? 13.361 14.080 58.883 1.00 46.72 ? 284 CYS A C 1 ATOM 192 O O . CYS A 1 26 ? 13.480 15.230 59.294 1.00 49.53 ? 284 CYS A O 1 ATOM 193 C CB . CYS A 1 26 ? 15.774 13.460 58.730 1.00 43.64 ? 284 CYS A CB 1 ATOM 194 S SG . CYS A 1 26 ? 15.853 12.318 60.116 1.00 51.24 ? 284 CYS A SG 1 ATOM 195 N N . VAL A 1 27 ? 12.301 13.332 59.160 1.00 45.09 ? 285 VAL A N 1 ATOM 196 C CA . VAL A 1 27 ? 11.163 13.886 59.849 1.00 45.72 ? 285 VAL A CA 1 ATOM 197 C C . VAL A 1 27 ? 11.014 13.187 61.174 1.00 46.86 ? 285 VAL A C 1 ATOM 198 O O . VAL A 1 27 ? 10.927 11.972 61.214 1.00 49.79 ? 285 VAL A O 1 ATOM 199 C CB . VAL A 1 27 ? 9.866 13.716 59.034 1.00 48.08 ? 285 VAL A CB 1 ATOM 200 C CG1 . VAL A 1 27 ? 8.688 14.396 59.737 1.00 47.44 ? 285 VAL A CG1 1 ATOM 201 C CG2 . VAL A 1 27 ? 10.059 14.299 57.641 1.00 50.87 ? 285 VAL A CG2 1 ATOM 202 N N . VAL A 1 28 ? 10.974 13.968 62.252 1.00 50.26 ? 286 VAL A N 1 ATOM 203 C CA . VAL A 1 28 ? 10.724 13.443 63.589 1.00 54.23 ? 286 VAL A CA 1 ATOM 204 C C . VAL A 1 28 ? 9.324 13.838 64.036 1.00 56.97 ? 286 VAL A C 1 ATOM 205 O O . VAL A 1 28 ? 8.941 15.004 63.944 1.00 57.61 ? 286 VAL A O 1 ATOM 206 C CB . VAL A 1 28 ? 11.740 13.966 64.616 1.00 56.01 ? 286 VAL A CB 1 ATOM 207 C CG1 . VAL A 1 28 ? 11.674 13.126 65.883 1.00 58.82 ? 286 VAL A CG1 1 ATOM 208 C CG2 . VAL A 1 28 ? 13.152 13.931 64.044 1.00 55.65 ? 286 VAL A CG2 1 ATOM 209 N N . VAL A 1 29 ? 8.566 12.856 64.512 1.00 59.69 ? 287 VAL A N 1 ATOM 210 C CA . VAL A 1 29 ? 7.205 13.084 65.010 1.00 59.25 ? 287 VAL A CA 1 ATOM 211 C C . VAL A 1 29 ? 7.016 12.483 66.412 1.00 60.39 ? 287 VAL A C 1 ATOM 212 O O . VAL A 1 29 ? 7.833 11.669 66.855 1.00 58.19 ? 287 VAL A O 1 ATOM 213 C CB . VAL A 1 29 ? 6.153 12.527 64.038 1.00 56.68 ? 287 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 29 ? 6.282 13.226 62.701 1.00 61.10 ? 287 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 29 ? 6.297 11.027 63.852 1.00 58.14 ? 287 VAL A CG2 1 ATOM 216 N N . ASP A 1 30 ? 5.947 12.903 67.101 1.00 61.84 ? 288 ASP A N 1 ATOM 217 C CA . ASP A 1 30 ? 5.637 12.442 68.467 1.00 61.68 ? 288 ASP A CA 1 ATOM 218 C C . ASP A 1 30 ? 6.765 12.765 69.440 1.00 60.93 ? 288 ASP A C 1 ATOM 219 O O . ASP A 1 30 ? 7.194 11.926 70.230 1.00 59.60 ? 288 ASP A O 1 ATOM 220 C CB . ASP A 1 30 ? 5.307 10.941 68.502 1.00 63.21 ? 288 ASP A CB 1 ATOM 221 C CG . ASP A 1 30 ? 4.042 10.599 67.732 1.00 65.74 ? 288 ASP A CG 1 ATOM 222 O OD1 . ASP A 1 30 ? 3.362 11.519 67.213 1.00 63.87 ? 288 ASP A OD1 1 ATOM 223 O OD2 . ASP A 1 30 ? 3.734 9.393 67.647 1.00 70.68 ? 288 ASP A OD2 1 ATOM 224 N N . VAL A 1 31 ? 7.241 13.997 69.352 1.00 63.10 ? 289 VAL A N 1 ATOM 225 C CA . VAL A 1 31 ? 8.185 14.538 70.305 1.00 65.21 ? 289 VAL A CA 1 ATOM 226 C C . VAL A 1 31 ? 7.355 15.189 71.401 1.00 66.97 ? 289 VAL A C 1 ATOM 227 O O . VAL A 1 31 ? 6.500 16.017 71.099 1.00 68.60 ? 289 VAL A O 1 ATOM 228 C CB . VAL A 1 31 ? 9.060 15.601 69.640 1.00 63.10 ? 289 VAL A CB 1 ATOM 229 C CG1 . VAL A 1 31 ? 9.971 16.257 70.662 1.00 64.61 ? 289 VAL A CG1 1 ATOM 230 C CG2 . VAL A 1 31 ? 9.853 14.989 68.494 1.00 66.06 ? 289 VAL A CG2 1 ATOM 231 N N . SER A 1 32 ? 7.603 14.830 72.660 1.00 68.63 ? 290 SER A N 1 ATOM 232 C CA . SER A 1 32 ? 6.779 15.317 73.776 1.00 71.33 ? 290 SER A CA 1 ATOM 233 C C . SER A 1 32 ? 7.095 16.763 74.153 1.00 74.81 ? 290 SER A C 1 ATOM 234 O O . SER A 1 32 ? 8.025 17.375 73.624 1.00 73.88 ? 290 SER A O 1 ATOM 235 C CB . SER A 1 32 ? 6.943 14.412 75.003 1.00 65.73 ? 290 SER A CB 1 ATOM 236 O OG . SER A 1 32 ? 8.268 14.466 75.491 1.00 65.94 ? 290 SER A OG 1 ATOM 237 N N . HIS A 1 33 ? 6.287 17.293 75.067 1.00 86.42 ? 291 HIS A N 1 ATOM 238 C CA . HIS A 1 33 ? 6.519 18.603 75.684 1.00 87.84 ? 291 HIS A CA 1 ATOM 239 C C . HIS A 1 33 ? 7.547 18.543 76.808 1.00 83.95 ? 291 HIS A C 1 ATOM 240 O O . HIS A 1 33 ? 8.292 19.494 77.023 1.00 75.27 ? 291 HIS A O 1 ATOM 241 C CB . HIS A 1 33 ? 5.225 19.128 76.282 1.00 96.97 ? 291 HIS A CB 1 ATOM 242 C CG . HIS A 1 33 ? 4.348 19.841 75.307 1.00 102.19 ? 291 HIS A CG 1 ATOM 243 N ND1 . HIS A 1 33 ? 3.636 19.185 74.328 1.00 103.74 ? 291 HIS A ND1 1 ATOM 244 C CD2 . HIS A 1 33 ? 4.049 21.156 75.177 1.00 105.91 ? 291 HIS A CD2 1 ATOM 245 C CE1 . HIS A 1 33 ? 2.944 20.067 73.628 1.00 105.79 ? 291 HIS A CE1 1 ATOM 246 N NE2 . HIS A 1 33 ? 3.177 21.269 74.123 1.00 107.08 ? 291 HIS A NE2 1 ATOM 247 N N . GLU A 1 34 ? 7.545 17.438 77.552 1.00 92.59 ? 292 GLU A N 1 ATOM 248 C CA . GLU A 1 34 ? 8.502 17.227 78.642 1.00 96.81 ? 292 GLU A CA 1 ATOM 249 C C . GLU A 1 34 ? 9.939 17.355 78.140 1.00 98.42 ? 292 GLU A C 1 ATOM 250 O O . GLU A 1 34 ? 10.767 18.007 78.779 1.00 97.75 ? 292 GLU A O 1 ATOM 251 C CB . GLU A 1 34 ? 8.293 15.848 79.279 1.00 92.47 ? 292 GLU A CB 1 ATOM 252 N N . ASP A 1 35 ? 10.212 16.733 76.991 1.00 99.20 ? 293 ASP A N 1 ATOM 253 C CA . ASP A 1 35 ? 11.544 16.729 76.377 1.00 96.23 ? 293 ASP A CA 1 ATOM 254 C C . ASP A 1 35 ? 11.447 17.093 74.883 1.00 90.50 ? 293 ASP A C 1 ATOM 255 O O . ASP A 1 35 ? 11.482 16.215 74.024 1.00 85.08 ? 293 ASP A O 1 ATOM 256 C CB . ASP A 1 35 ? 12.197 15.352 76.558 1.00 98.08 ? 293 ASP A CB 1 ATOM 257 C CG . ASP A 1 35 ? 11.822 14.691 77.879 1.00 101.67 ? 293 ASP A CG 1 ATOM 258 O OD1 . ASP A 1 35 ? 10.626 14.376 78.063 1.00 101.57 ? 293 ASP A OD1 1 ATOM 259 O OD2 . ASP A 1 35 ? 12.721 14.465 78.719 1.00 102.93 ? 293 ASP A OD2 1 ATOM 260 N N . PRO A 1 36 ? 11.331 18.396 74.570 1.00 87.00 ? 294 PRO A N 1 ATOM 261 C CA . PRO A 1 36 ? 11.058 18.859 73.208 1.00 87.26 ? 294 PRO A CA 1 ATOM 262 C C . PRO A 1 36 ? 12.286 19.179 72.338 1.00 86.14 ? 294 PRO A C 1 ATOM 263 O O . PRO A 1 36 ? 12.130 19.429 71.143 1.00 86.25 ? 294 PRO A O 1 ATOM 264 C CB . PRO A 1 36 ? 10.267 20.139 73.452 1.00 86.60 ? 294 PRO A CB 1 ATOM 265 C CG . PRO A 1 36 ? 10.875 20.694 74.700 1.00 87.29 ? 294 PRO A CG 1 ATOM 266 C CD . PRO A 1 36 ? 11.386 19.529 75.514 1.00 86.99 ? 294 PRO A CD 1 ATOM 267 N N . GLU A 1 37 ? 13.482 19.204 72.917 1.00 84.92 ? 295 GLU A N 1 ATOM 268 C CA . GLU A 1 37 ? 14.685 19.519 72.143 1.00 84.34 ? 295 GLU A CA 1 ATOM 269 C C . GLU A 1 37 ? 15.205 18.246 71.487 1.00 76.48 ? 295 GLU A C 1 ATOM 270 O O . GLU A 1 37 ? 15.395 17.226 72.156 1.00 72.16 ? 295 GLU A O 1 ATOM 271 C CB . GLU A 1 37 ? 15.770 20.150 73.031 1.00 86.52 ? 295 GLU A CB 1 ATOM 272 N N . VAL A 1 38 ? 15.412 18.308 70.175 1.00 74.62 ? 296 VAL A N 1 ATOM 273 C CA . VAL A 1 38 ? 15.914 17.166 69.402 1.00 75.73 ? 296 VAL A CA 1 ATOM 274 C C . VAL A 1 38 ? 17.199 17.547 68.661 1.00 69.50 ? 296 VAL A C 1 ATOM 275 O O . VAL A 1 38 ? 17.326 18.671 68.155 1.00 60.40 ? 296 VAL A O 1 ATOM 276 C CB . VAL A 1 38 ? 14.853 16.633 68.400 1.00 76.83 ? 296 VAL A CB 1 ATOM 277 C CG1 . VAL A 1 38 ? 13.449 16.792 68.965 1.00 76.11 ? 296 VAL A CG1 1 ATOM 278 C CG2 . VAL A 1 38 ? 14.938 17.330 67.048 1.00 78.01 ? 296 VAL A CG2 1 ATOM 279 N N . LYS A 1 39 ? 18.148 16.616 68.591 1.00 67.90 ? 297 LYS A N 1 ATOM 280 C CA . LYS A 1 39 ? 19.369 16.851 67.808 1.00 69.76 ? 297 LYS A CA 1 ATOM 281 C C . LYS A 1 39 ? 19.440 15.969 66.557 1.00 61.38 ? 297 LYS A C 1 ATOM 282 O O . LYS A 1 39 ? 19.160 14.766 66.616 1.00 60.19 ? 297 LYS A O 1 ATOM 283 C CB . LYS A 1 39 ? 20.629 16.641 68.652 1.00 70.51 ? 297 LYS A CB 1 ATOM 284 C CG . LYS A 1 39 ? 21.893 17.161 67.965 1.00 73.07 ? 297 LYS A CG 1 ATOM 285 C CD . LYS A 1 39 ? 23.158 16.922 68.776 1.00 74.78 ? 297 LYS A CD 1 ATOM 286 C CE . LYS A 1 39 ? 23.246 15.490 69.288 1.00 71.58 ? 297 LYS A CE 1 ATOM 287 N NZ . LYS A 1 39 ? 24.644 15.114 69.639 1.00 72.55 ? 297 LYS A NZ 1 ATOM 288 N N . PHE A 1 40 ? 19.846 16.588 65.446 1.00 53.72 ? 298 PHE A N 1 ATOM 289 C CA . PHE A 1 40 ? 20.110 15.887 64.189 1.00 51.94 ? 298 PHE A CA 1 ATOM 290 C C . PHE A 1 40 ? 21.603 15.768 63.877 1.00 50.66 ? 298 PHE A C 1 ATOM 291 O O . PHE A 1 40 ? 22.307 16.770 63.813 1.00 49.77 ? 298 PHE A O 1 ATOM 292 C CB . PHE A 1 40 ? 19.473 16.643 63.030 1.00 47.85 ? 298 PHE A CB 1 ATOM 293 C CG . PHE A 1 40 ? 17.973 16.596 63.013 1.00 49.41 ? 298 PHE A CG 1 ATOM 294 C CD1 . PHE A 1 40 ? 17.229 17.609 63.595 1.00 50.25 ? 298 PHE A CD1 1 ATOM 295 C CD2 . PHE A 1 40 ? 17.303 15.564 62.372 1.00 51.06 ? 298 PHE A CD2 1 ATOM 296 C CE1 . PHE A 1 40 ? 15.849 17.585 63.551 1.00 50.76 ? 298 PHE A CE1 1 ATOM 297 C CE2 . PHE A 1 40 ? 15.920 15.537 62.320 1.00 49.75 ? 298 PHE A CE2 1 ATOM 298 C CZ . PHE A 1 40 ? 15.191 16.546 62.920 1.00 49.63 ? 298 PHE A CZ 1 ATOM 299 N N . ASN A 1 41 ? 22.069 14.550 63.638 1.00 48.91 ? 299 ASN A N 1 ATOM 300 C CA . ASN A 1 41 ? 23.371 14.342 63.013 1.00 50.89 ? 299 ASN A CA 1 ATOM 301 C C . ASN A 1 41 ? 23.193 13.688 61.646 1.00 50.40 ? 299 ASN A C 1 ATOM 302 O O . ASN A 1 41 ? 22.410 12.730 61.499 1.00 46.32 ? 299 ASN A O 1 ATOM 303 C CB . ASN A 1 41 ? 24.266 13.466 63.891 1.00 53.23 ? 299 ASN A CB 1 ATOM 304 C CG . ASN A 1 41 ? 24.657 14.154 65.174 1.00 55.22 ? 299 ASN A CG 1 ATOM 305 O OD1 . ASN A 1 41 ? 25.704 14.796 65.246 1.00 54.70 ? 299 ASN A OD1 1 ATOM 306 N ND2 . ASN A 1 41 ? 23.800 14.056 66.187 1.00 55.82 ? 299 ASN A ND2 1 ATOM 307 N N . TRP A 1 42 ? 23.924 14.205 60.661 1.00 47.29 ? 300 TRP A N 1 ATOM 308 C CA . TRP A 1 42 ? 23.909 13.656 59.315 1.00 47.93 ? 300 TRP A CA 1 ATOM 309 C C . TRP A 1 42 ? 25.258 13.087 58.870 1.00 51.35 ? 300 TRP A C 1 ATOM 310 O O . TRP A 1 42 ? 26.312 13.705 59.074 1.00 47.87 ? 300 TRP A O 1 ATOM 311 C CB . TRP A 1 42 ? 23.507 14.731 58.339 1.00 46.75 ? 300 TRP A CB 1 ATOM 312 C CG . TRP A 1 42 ? 22.090 15.135 58.420 1.00 46.13 ? 300 TRP A CG 1 ATOM 313 C CD1 . TRP A 1 42 ? 21.572 16.143 59.159 1.00 47.00 ? 300 TRP A CD1 1 ATOM 314 C CD2 . TRP A 1 42 ? 20.999 14.573 57.683 1.00 46.75 ? 300 TRP A CD2 1 ATOM 315 N NE1 . TRP A 1 42 ? 20.215 16.244 58.946 1.00 47.78 ? 300 TRP A NE1 1 ATOM 316 C CE2 . TRP A 1 42 ? 19.840 15.293 58.038 1.00 47.43 ? 300 TRP A CE2 1 ATOM 317 C CE3 . TRP A 1 42 ? 20.892 13.543 56.746 1.00 46.51 ? 300 TRP A CE3 1 ATOM 318 C CZ2 . TRP A 1 42 ? 18.585 15.002 57.502 1.00 48.41 ? 300 TRP A CZ2 1 ATOM 319 C CZ3 . TRP A 1 42 ? 19.643 13.253 56.216 1.00 46.94 ? 300 TRP A CZ3 1 ATOM 320 C CH2 . TRP A 1 42 ? 18.511 13.983 56.591 1.00 48.20 ? 300 TRP A CH2 1 ATOM 321 N N . TYR A 1 43 ? 25.193 11.918 58.232 1.00 50.78 ? 301 TYR A N 1 ATOM 322 C CA . TYR A 1 43 ? 26.358 11.247 57.678 1.00 53.34 ? 301 TYR A CA 1 ATOM 323 C C . TYR A 1 43 ? 26.102 10.816 56.230 1.00 52.43 ? 301 TYR A C 1 ATOM 324 O O . TYR A 1 43 ? 25.022 10.327 55.885 1.00 48.58 ? 301 TYR A O 1 ATOM 325 C CB . TYR A 1 43 ? 26.736 10.023 58.522 1.00 57.04 ? 301 TYR A CB 1 ATOM 326 C CG . TYR A 1 43 ? 26.762 10.313 60.006 1.00 58.81 ? 301 TYR A CG 1 ATOM 327 C CD1 . TYR A 1 43 ? 25.580 10.404 60.721 1.00 57.91 ? 301 TYR A CD1 1 ATOM 328 C CD2 . TYR A 1 43 ? 27.964 10.512 60.689 1.00 60.27 ? 301 TYR A CD2 1 ATOM 329 C CE1 . TYR A 1 43 ? 25.583 10.688 62.066 1.00 61.65 ? 301 TYR A CE1 1 ATOM 330 C CE2 . TYR A 1 43 ? 27.971 10.793 62.047 1.00 59.82 ? 301 TYR A CE2 1 ATOM 331 C CZ . TYR A 1 43 ? 26.772 10.885 62.721 1.00 60.78 ? 301 TYR A CZ 1 ATOM 332 O OH . TYR A 1 43 ? 26.721 11.169 64.055 1.00 63.52 ? 301 TYR A OH 1 ATOM 333 N N . VAL A 1 44 ? 27.112 11.042 55.399 1.00 49.91 ? 302 VAL A N 1 ATOM 334 C CA . VAL A 1 44 ? 27.169 10.572 54.035 1.00 48.51 ? 302 VAL A CA 1 ATOM 335 C C . VAL A 1 44 ? 28.262 9.506 54.010 1.00 49.01 ? 302 VAL A C 1 ATOM 336 O O . VAL A 1 44 ? 29.451 9.800 54.192 1.00 47.36 ? 302 VAL A O 1 ATOM 337 C CB . VAL A 1 44 ? 27.515 11.711 53.053 1.00 46.83 ? 302 VAL A CB 1 ATOM 338 C CG1 . VAL A 1 44 ? 27.504 11.200 51.621 1.00 51.40 ? 302 VAL A CG1 1 ATOM 339 C CG2 . VAL A 1 44 ? 26.517 12.839 53.189 1.00 47.82 ? 302 VAL A CG2 1 ATOM 340 N N . ASP A 1 45 ? 27.843 8.262 53.823 1.00 50.56 ? 303 ASP A N 1 ATOM 341 C CA . ASP A 1 45 ? 28.754 7.107 53.851 1.00 53.16 ? 303 ASP A CA 1 ATOM 342 C C . ASP A 1 45 ? 29.535 6.980 55.173 1.00 53.33 ? 303 ASP A C 1 ATOM 343 O O . ASP A 1 45 ? 30.694 6.553 55.200 1.00 53.66 ? 303 ASP A O 1 ATOM 344 C CB . ASP A 1 45 ? 29.678 7.128 52.631 1.00 48.42 ? 303 ASP A CB 1 ATOM 345 C CG . ASP A 1 45 ? 29.022 6.526 51.415 1.00 52.49 ? 303 ASP A CG 1 ATOM 346 O OD1 . ASP A 1 45 ? 27.905 5.968 51.557 1.00 53.93 ? 303 ASP A OD1 1 ATOM 347 O OD2 . ASP A 1 45 ? 29.615 6.603 50.320 1.00 50.82 ? 303 ASP A OD2 1 ATOM 348 N N . GLY A 1 46 ? 28.863 7.328 56.265 1.00 51.67 ? 304 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.450 7.269 57.587 1.00 52.34 ? 304 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.225 8.515 57.974 1.00 52.26 ? 304 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 30.550 8.679 59.135 1.00 57.88 ? 304 GLY A O 1 ATOM 352 N N . VAL A 1 47 ? 30.523 9.399 57.029 1.00 52.74 ? 305 VAL A N 1 ATOM 353 C CA . VAL A 1 47 ? 31.277 10.607 57.347 1.00 53.08 ? 305 VAL A CA 1 ATOM 354 C C . VAL A 1 47 ? 30.319 11.748 57.692 1.00 56.34 ? 305 VAL A C 1 ATOM 355 O O . VAL A 1 47 ? 29.501 12.136 56.860 1.00 55.22 ? 305 VAL A O 1 ATOM 356 C CB . VAL A 1 47 ? 32.159 11.029 56.157 1.00 55.60 ? 305 VAL A CB 1 ATOM 357 C CG1 . VAL A 1 47 ? 32.905 12.321 56.461 1.00 56.46 ? 305 VAL A CG1 1 ATOM 358 C CG2 . VAL A 1 47 ? 33.144 9.926 55.812 1.00 58.31 ? 305 VAL A CG2 1 ATOM 359 N N . GLU A 1 48 ? 30.429 12.300 58.902 1.00 56.82 ? 306 GLU A N 1 ATOM 360 C CA . GLU A 1 48 ? 29.491 13.341 59.353 1.00 56.32 ? 306 GLU A CA 1 ATOM 361 C C . GLU A 1 48 ? 29.581 14.583 58.482 1.00 52.72 ? 306 GLU A C 1 ATOM 362 O O . GLU A 1 48 ? 30.653 14.920 58.018 1.00 54.20 ? 306 GLU A O 1 ATOM 363 C CB . GLU A 1 48 ? 29.723 13.722 60.817 1.00 55.19 ? 306 GLU A CB 1 ATOM 364 C CG . GLU A 1 48 ? 28.694 14.722 61.317 1.00 59.32 ? 306 GLU A CG 1 ATOM 365 C CD . GLU A 1 48 ? 28.659 14.898 62.826 1.00 62.10 ? 306 GLU A CD 1 ATOM 366 O OE1 . GLU A 1 48 ? 29.417 14.210 63.550 1.00 61.92 ? 306 GLU A OE1 1 ATOM 367 O OE2 . GLU A 1 48 ? 27.850 15.740 63.282 1.00 61.79 ? 306 GLU A OE2 1 ATOM 368 N N . VAL A 1 49 ? 28.439 15.237 58.256 1.00 52.40 ? 307 VAL A N 1 ATOM 369 C CA . VAL A 1 49 ? 28.354 16.464 57.440 1.00 50.44 ? 307 VAL A CA 1 ATOM 370 C C . VAL A 1 49 ? 27.531 17.505 58.163 1.00 50.96 ? 307 VAL A C 1 ATOM 371 O O . VAL A 1 49 ? 26.709 17.173 59.013 1.00 53.88 ? 307 VAL A O 1 ATOM 372 C CB . VAL A 1 49 ? 27.698 16.234 56.060 1.00 49.62 ? 307 VAL A CB 1 ATOM 373 C CG1 . VAL A 1 49 ? 28.539 15.291 55.217 1.00 48.46 ? 307 VAL A CG1 1 ATOM 374 C CG2 . VAL A 1 49 ? 26.276 15.708 56.214 1.00 52.32 ? 307 VAL A CG2 1 ATOM 375 N N . HIS A 1 50 ? 27.716 18.763 57.791 1.00 52.64 ? 308 HIS A N 1 ATOM 376 C CA . HIS A 1 50 ? 27.315 19.855 58.664 1.00 60.84 ? 308 HIS A CA 1 ATOM 377 C C . HIS A 1 50 ? 26.482 20.919 57.994 1.00 59.62 ? 308 HIS A C 1 ATOM 378 O O . HIS A 1 50 ? 26.253 21.976 58.569 1.00 66.22 ? 308 HIS A O 1 ATOM 379 C CB . HIS A 1 50 ? 28.574 20.493 59.251 1.00 64.73 ? 308 HIS A CB 1 ATOM 380 C CG . HIS A 1 50 ? 29.515 19.497 59.845 1.00 70.69 ? 308 HIS A CG 1 ATOM 381 N ND1 . HIS A 1 50 ? 30.814 19.343 59.408 1.00 74.05 ? 308 HIS A ND1 1 ATOM 382 C CD2 . HIS A 1 50 ? 29.330 18.570 60.817 1.00 71.06 ? 308 HIS A CD2 1 ATOM 383 C CE1 . HIS A 1 50 ? 31.397 18.382 60.103 1.00 74.50 ? 308 HIS A CE1 1 ATOM 384 N NE2 . HIS A 1 50 ? 30.518 17.898 60.965 1.00 74.05 ? 308 HIS A NE2 1 ATOM 385 N N . ASN A 1 51 ? 25.986 20.639 56.802 1.00 55.96 ? 309 ASN A N 1 ATOM 386 C CA . ASN A 1 51 ? 25.267 21.647 56.052 1.00 50.97 ? 309 ASN A CA 1 ATOM 387 C C . ASN A 1 51 ? 23.748 21.430 56.025 1.00 48.44 ? 309 ASN A C 1 ATOM 388 O O . ASN A 1 51 ? 23.044 22.135 55.313 1.00 47.63 ? 309 ASN A O 1 ATOM 389 C CB . ASN A 1 51 ? 25.859 21.777 54.643 1.00 52.22 ? 309 ASN A CB 1 ATOM 390 C CG . ASN A 1 51 ? 25.961 20.448 53.908 1.00 57.11 ? 309 ASN A CG 1 ATOM 391 O OD1 . ASN A 1 51 ? 26.100 19.376 54.512 1.00 59.85 ? 309 ASN A OD1 1 ATOM 392 N ND2 . ASN A 1 51 ? 25.898 20.515 52.588 1.00 59.23 ? 309 ASN A ND2 1 ATOM 393 N N . ALA A 1 52 ? 23.221 20.495 56.813 1.00 45.83 ? 310 ALA A N 1 ATOM 394 C CA . ALA A 1 52 ? 21.756 20.335 56.893 1.00 49.36 ? 310 ALA A CA 1 ATOM 395 C C . ALA A 1 52 ? 21.080 21.612 57.423 1.00 52.52 ? 310 ALA A C 1 ATOM 396 O O . ALA A 1 52 ? 21.731 22.428 58.069 1.00 62.10 ? 310 ALA A O 1 ATOM 397 C CB . ALA A 1 52 ? 21.396 19.153 57.763 1.00 47.70 ? 310 ALA A CB 1 ATOM 398 N N . LYS A 1 53 ? 19.796 21.792 57.125 1.00 55.27 ? 311 LYS A N 1 ATOM 399 C CA . LYS A 1 53 ? 19.041 22.974 57.557 1.00 59.96 ? 311 LYS A CA 1 ATOM 400 C C . LYS A 1 53 ? 17.818 22.486 58.278 1.00 56.93 ? 311 LYS A C 1 ATOM 401 O O . LYS A 1 53 ? 16.912 21.939 57.668 1.00 58.55 ? 311 LYS A O 1 ATOM 402 C CB . LYS A 1 53 ? 18.602 23.854 56.377 1.00 65.44 ? 311 LYS A CB 1 ATOM 403 C CG . LYS A 1 53 ? 19.687 24.107 55.346 1.00 74.87 ? 311 LYS A CG 1 ATOM 404 C CD . LYS A 1 53 ? 20.883 24.864 55.916 1.00 81.95 ? 311 LYS A CD 1 ATOM 405 C CE . LYS A 1 53 ? 21.112 26.195 55.213 1.00 87.22 ? 311 LYS A CE 1 ATOM 406 N NZ . LYS A 1 53 ? 20.055 27.202 55.516 1.00 91.83 ? 311 LYS A NZ 1 ATOM 407 N N . THR A 1 54 ? 17.790 22.687 59.582 1.00 59.86 ? 312 THR A N 1 ATOM 408 C CA . THR A 1 54 ? 16.688 22.191 60.393 1.00 64.74 ? 312 THR A CA 1 ATOM 409 C C . THR A 1 54 ? 15.644 23.267 60.630 1.00 66.25 ? 312 THR A C 1 ATOM 410 O O . THR A 1 54 ? 15.982 24.360 61.058 1.00 68.15 ? 312 THR A O 1 ATOM 411 C CB . THR A 1 54 ? 17.205 21.675 61.729 1.00 57.82 ? 312 THR A CB 1 ATOM 412 O OG1 . THR A 1 54 ? 18.287 20.774 61.474 1.00 54.65 ? 312 THR A OG1 1 ATOM 413 C CG2 . THR A 1 54 ? 16.090 20.963 62.472 1.00 58.86 ? 312 THR A CG2 1 ATOM 414 N N . LYS A 1 55 ? 14.381 22.952 60.342 1.00 75.67 ? 313 LYS A N 1 ATOM 415 C CA . LYS A 1 55 ? 13.287 23.906 60.545 1.00 80.03 ? 313 LYS A CA 1 ATOM 416 C C . LYS A 1 55 ? 13.029 23.980 62.059 1.00 83.09 ? 313 LYS A C 1 ATOM 417 O O . LYS A 1 55 ? 13.213 22.971 62.765 1.00 72.24 ? 313 LYS A O 1 ATOM 418 C CB . LYS A 1 55 ? 11.991 23.492 59.820 1.00 79.47 ? 313 LYS A CB 1 ATOM 419 C CG . LYS A 1 55 ? 12.098 22.982 58.383 1.00 80.19 ? 313 LYS A CG 1 ATOM 420 C CD . LYS A 1 55 ? 12.436 24.062 57.372 1.00 85.06 ? 313 LYS A CD 1 ATOM 421 C CE . LYS A 1 55 ? 13.932 24.136 57.119 1.00 90.82 ? 313 LYS A CE 1 ATOM 422 N NZ . LYS A 1 55 ? 14.288 25.390 56.402 1.00 94.78 ? 313 LYS A NZ 1 ATOM 423 N N . PRO A 1 56 ? 12.639 25.173 62.571 1.00 87.60 ? 314 PRO A N 1 ATOM 424 C CA . PRO A 1 56 ? 12.223 25.252 63.982 1.00 83.89 ? 314 PRO A CA 1 ATOM 425 C C . PRO A 1 56 ? 10.953 24.441 64.252 1.00 76.22 ? 314 PRO A C 1 ATOM 426 O O . PRO A 1 56 ? 10.031 24.415 63.418 1.00 66.82 ? 314 PRO A O 1 ATOM 427 C CB . PRO A 1 56 ? 11.995 26.755 64.208 1.00 85.25 ? 314 PRO A CB 1 ATOM 428 C CG . PRO A 1 56 ? 12.858 27.424 63.181 1.00 87.61 ? 314 PRO A CG 1 ATOM 429 C CD . PRO A 1 56 ? 12.806 26.517 61.978 1.00 88.11 ? 314 PRO A CD 1 ATOM 430 N N . ARG A 1 57 ? 10.928 23.775 65.403 1.00 71.55 ? 315 ARG A N 1 ATOM 431 C CA . ARG A 1 57 ? 9.906 22.772 65.684 1.00 77.59 ? 315 ARG A CA 1 ATOM 432 C C . ARG A 1 57 ? 8.476 23.323 65.689 1.00 75.93 ? 315 ARG A C 1 ATOM 433 O O . ARG A 1 57 ? 8.235 24.424 66.175 1.00 76.59 ? 315 ARG A O 1 ATOM 434 C CB . ARG A 1 57 ? 10.210 22.048 66.997 1.00 82.30 ? 315 ARG A CB 1 ATOM 435 C CG . ARG A 1 57 ? 10.190 22.918 68.239 1.00 88.27 ? 315 ARG A CG 1 ATOM 436 C CD . ARG A 1 57 ? 10.363 22.066 69.482 1.00 92.23 ? 315 ARG A CD 1 ATOM 437 N NE . ARG A 1 57 ? 9.957 22.792 70.682 1.00 98.44 ? 315 ARG A NE 1 ATOM 438 C CZ . ARG A 1 57 ? 10.763 23.528 71.447 1.00 102.25 ? 315 ARG A CZ 1 ATOM 439 N NH1 . ARG A 1 57 ? 12.059 23.656 71.163 1.00 103.24 ? 315 ARG A NH1 1 ATOM 440 N NH2 . ARG A 1 57 ? 10.264 24.146 72.512 1.00 103.68 ? 315 ARG A NH2 1 ATOM 441 N N . GLU A 1 58 ? 7.551 22.549 65.120 1.00 75.30 ? 316 GLU A N 1 ATOM 442 C CA . GLU A 1 58 ? 6.138 22.899 65.036 1.00 77.78 ? 316 GLU A CA 1 ATOM 443 C C . GLU A 1 58 ? 5.330 22.030 65.994 1.00 81.13 ? 316 GLU A C 1 ATOM 444 O O . GLU A 1 58 ? 5.388 20.790 65.934 1.00 69.74 ? 316 GLU A O 1 ATOM 445 C CB . GLU A 1 58 ? 5.592 22.656 63.628 1.00 79.37 ? 316 GLU A CB 1 ATOM 446 C CG . GLU A 1 58 ? 6.217 23.497 62.525 1.00 86.96 ? 316 GLU A CG 1 ATOM 447 C CD . GLU A 1 58 ? 5.801 23.035 61.125 1.00 93.05 ? 316 GLU A CD 1 ATOM 448 O OE1 . GLU A 1 58 ? 5.106 21.996 60.999 1.00 93.31 ? 316 GLU A OE1 1 ATOM 449 O OE2 . GLU A 1 58 ? 6.168 23.713 60.139 1.00 91.90 ? 316 GLU A OE2 1 ATOM 450 N N . GLU A 1 59 ? 4.558 22.676 66.864 1.00 82.17 ? 317 GLU A N 1 ATOM 451 C CA . GLU A 1 59 ? 3.602 21.951 67.689 1.00 84.60 ? 317 GLU A CA 1 ATOM 452 C C . GLU A 1 59 ? 2.425 21.518 66.821 1.00 78.69 ? 317 GLU A C 1 ATOM 453 O O . GLU A 1 59 ? 2.064 22.196 65.864 1.00 73.47 ? 317 GLU A O 1 ATOM 454 C CB . GLU A 1 59 ? 3.114 22.804 68.862 1.00 87.36 ? 317 GLU A CB 1 ATOM 455 C CG . GLU A 1 59 ? 2.584 21.983 70.032 1.00 88.42 ? 317 GLU A CG 1 ATOM 456 C CD . GLU A 1 59 ? 2.014 22.834 71.156 1.00 90.48 ? 317 GLU A CD 1 ATOM 457 O OE1 . GLU A 1 59 ? 1.563 22.244 72.153 1.00 90.81 ? 317 GLU A OE1 1 ATOM 458 O OE2 . GLU A 1 59 ? 2.004 24.084 71.055 1.00 87.64 ? 317 GLU A OE2 1 ATOM 459 N N . GLN A 1 60 ? 1.857 20.369 67.152 1.00 78.78 ? 318 GLN A N 1 ATOM 460 C CA . GLN A 1 60 ? 0.679 19.866 66.476 1.00 88.09 ? 318 GLN A CA 1 ATOM 461 C C . GLN A 1 60 ? -0.495 20.040 67.418 1.00 91.69 ? 318 GLN A C 1 ATOM 462 O O . GLN A 1 60 ? -0.328 20.455 68.572 1.00 90.15 ? 318 GLN A O 1 ATOM 463 C CB . GLN A 1 60 ? 0.852 18.389 66.120 1.00 91.27 ? 318 GLN A CB 1 ATOM 464 C CG . GLN A 1 60 ? 2.179 18.062 65.446 1.00 93.87 ? 318 GLN A CG 1 ATOM 465 C CD . GLN A 1 60 ? 2.342 18.761 64.112 1.00 93.61 ? 318 GLN A CD 1 ATOM 466 O OE1 . GLN A 1 60 ? 1.669 18.413 63.141 1.00 96.92 ? 318 GLN A OE1 1 ATOM 467 N NE2 . GLN A 1 60 ? 3.235 19.749 64.053 1.00 92.12 ? 318 GLN A NE2 1 ATOM 468 N N . TYR A 1 61 ? -1.684 19.722 66.925 1.00 93.04 ? 319 TYR A N 1 ATOM 469 C CA . TYR A 1 61 ? -2.885 19.864 67.735 1.00 93.81 ? 319 TYR A CA 1 ATOM 470 C C . TYR A 1 61 ? -2.997 18.752 68.775 1.00 88.76 ? 319 TYR A C 1 ATOM 471 O O . TYR A 1 61 ? -3.652 18.940 69.799 1.00 83.17 ? 319 TYR A O 1 ATOM 472 C CB . TYR A 1 61 ? -4.146 19.999 66.860 1.00 95.42 ? 319 TYR A CB 1 ATOM 473 C CG . TYR A 1 61 ? -4.480 21.456 66.583 1.00 96.36 ? 319 TYR A CG 1 ATOM 474 C CD1 . TYR A 1 61 ? -3.566 22.284 65.930 1.00 99.28 ? 319 TYR A CD1 1 ATOM 475 C CD2 . TYR A 1 61 ? -5.686 22.020 67.009 1.00 96.80 ? 319 TYR A CD2 1 ATOM 476 C CE1 . TYR A 1 61 ? -3.845 23.624 65.692 1.00 99.00 ? 319 TYR A CE1 1 ATOM 477 C CE2 . TYR A 1 61 ? -5.977 23.363 66.770 1.00 96.17 ? 319 TYR A CE2 1 ATOM 478 C CZ . TYR A 1 61 ? -5.054 24.160 66.110 1.00 98.05 ? 319 TYR A CZ 1 ATOM 479 O OH . TYR A 1 61 ? -5.324 25.493 65.864 1.00 96.26 ? 319 TYR A OH 1 ATOM 480 N N . ASN A 1 62 ? -2.323 17.624 68.534 1.00 86.96 ? 320 ASN A N 1 ATOM 481 C CA . ASN A 1 62 ? -2.279 16.517 69.506 1.00 82.66 ? 320 ASN A CA 1 ATOM 482 C C . ASN A 1 62 ? -1.181 16.670 70.567 1.00 81.23 ? 320 ASN A C 1 ATOM 483 O O . ASN A 1 62 ? -0.910 15.736 71.333 1.00 74.71 ? 320 ASN A O 1 ATOM 484 C CB . ASN A 1 62 ? -2.184 15.146 68.799 1.00 82.75 ? 320 ASN A CB 1 ATOM 485 C CG . ASN A 1 62 ? -0.984 15.022 67.868 1.00 84.98 ? 320 ASN A CG 1 ATOM 486 O OD1 . ASN A 1 62 ? -0.039 15.812 67.937 1.00 88.20 ? 320 ASN A OD1 1 ATOM 487 N ND2 . ASN A 1 62 ? -1.023 14.008 66.979 1.00 84.45 ? 320 ASN A ND2 1 ATOM 488 N N . SER A 1 63 ? -0.564 17.855 70.606 1.00 83.35 ? 321 SER A N 1 ATOM 489 C CA . SER A 1 63 ? 0.469 18.209 71.598 1.00 83.65 ? 321 SER A CA 1 ATOM 490 C C . SER A 1 63 ? 1.793 17.456 71.414 1.00 80.76 ? 321 SER A C 1 ATOM 491 O O . SER A 1 63 ? 2.584 17.333 72.352 1.00 80.00 ? 321 SER A O 1 ATOM 492 C CB . SER A 1 63 ? -0.051 18.044 73.038 1.00 83.07 ? 321 SER A CB 1 ATOM 493 O OG . SER A 1 63 ? -1.125 18.931 73.292 1.00 84.18 ? 321 SER A OG 1 ATOM 494 N N . THR A 1 64 ? 2.026 16.950 70.207 1.00 77.83 ? 322 THR A N 1 ATOM 495 C CA . THR A 1 64 ? 3.320 16.409 69.843 1.00 70.31 ? 322 THR A CA 1 ATOM 496 C C . THR A 1 64 ? 4.058 17.524 69.138 1.00 68.38 ? 322 THR A C 1 ATOM 497 O O . THR A 1 64 ? 3.438 18.470 68.656 1.00 64.54 ? 322 THR A O 1 ATOM 498 C CB . THR A 1 64 ? 3.200 15.209 68.888 1.00 71.33 ? 322 THR A CB 1 ATOM 499 O OG1 . THR A 1 64 ? 2.623 15.624 67.637 1.00 71.73 ? 322 THR A OG1 1 ATOM 500 C CG2 . THR A 1 64 ? 2.367 14.104 69.515 1.00 66.15 ? 322 THR A CG2 1 ATOM 501 N N . TYR A 1 65 ? 5.381 17.426 69.109 1.00 69.09 ? 323 TYR A N 1 ATOM 502 C CA . TYR A 1 65 ? 6.191 18.287 68.262 1.00 73.48 ? 323 TYR A CA 1 ATOM 503 C C . TYR A 1 65 ? 6.686 17.485 67.067 1.00 70.80 ? 323 TYR A C 1 ATOM 504 O O . TYR A 1 65 ? 7.047 16.308 67.176 1.00 66.10 ? 323 TYR A O 1 ATOM 505 C CB . TYR A 1 65 ? 7.355 18.915 69.032 1.00 81.46 ? 323 TYR A CB 1 ATOM 506 C CG . TYR A 1 65 ? 6.941 20.123 69.857 1.00 94.04 ? 323 TYR A CG 1 ATOM 507 C CD1 . TYR A 1 65 ? 6.682 20.010 71.233 1.00 93.70 ? 323 TYR A CD1 1 ATOM 508 C CD2 . TYR A 1 65 ? 6.788 21.378 69.259 1.00 92.94 ? 323 TYR A CD2 1 ATOM 509 C CE1 . TYR A 1 65 ? 6.295 21.114 71.981 1.00 91.19 ? 323 TYR A CE1 1 ATOM 510 C CE2 . TYR A 1 65 ? 6.404 22.484 70.003 1.00 93.19 ? 323 TYR A CE2 1 ATOM 511 C CZ . TYR A 1 65 ? 6.158 22.348 71.357 1.00 92.06 ? 323 TYR A CZ 1 ATOM 512 O OH . TYR A 1 65 ? 5.778 23.453 72.079 1.00 93.02 ? 323 TYR A OH 1 ATOM 513 N N . ARG A 1 66 ? 6.650 18.145 65.922 1.00 65.44 ? 324 ARG A N 1 ATOM 514 C CA . ARG A 1 66 ? 7.112 17.600 64.683 1.00 64.49 ? 324 ARG A CA 1 ATOM 515 C C . ARG A 1 66 ? 8.259 18.471 64.221 1.00 64.57 ? 324 ARG A C 1 ATOM 516 O O . ARG A 1 66 ? 8.087 19.675 64.082 1.00 63.95 ? 324 ARG A O 1 ATOM 517 C CB . ARG A 1 66 ? 5.998 17.684 63.659 1.00 67.21 ? 324 ARG A CB 1 ATOM 518 C CG . ARG A 1 66 ? 6.449 17.400 62.244 1.00 68.86 ? 324 ARG A CG 1 ATOM 519 C CD . ARG A 1 66 ? 5.247 17.221 61.343 1.00 71.85 ? 324 ARG A CD 1 ATOM 520 N NE . ARG A 1 66 ? 5.655 16.818 60.001 1.00 73.36 ? 324 ARG A NE 1 ATOM 521 C CZ . ARG A 1 66 ? 6.177 17.638 59.097 1.00 74.23 ? 324 ARG A CZ 1 ATOM 522 N NH1 . ARG A 1 66 ? 6.366 18.933 59.370 1.00 76.62 ? 324 ARG A NH1 1 ATOM 523 N NH2 . ARG A 1 66 ? 6.519 17.156 57.911 1.00 75.20 ? 324 ARG A NH2 1 ATOM 524 N N . VAL A 1 67 ? 9.421 17.883 63.958 1.00 61.48 ? 325 VAL A N 1 ATOM 525 C CA . VAL A 1 67 ? 10.539 18.678 63.442 1.00 60.36 ? 325 VAL A CA 1 ATOM 526 C C . VAL A 1 67 ? 11.290 17.970 62.298 1.00 56.54 ? 325 VAL A C 1 ATOM 527 O O . VAL A 1 67 ? 11.436 16.743 62.277 1.00 57.93 ? 325 VAL A O 1 ATOM 528 C CB . VAL A 1 67 ? 11.444 19.198 64.600 1.00 61.60 ? 325 VAL A CB 1 ATOM 529 C CG1 . VAL A 1 67 ? 11.624 18.148 65.688 1.00 62.84 ? 325 VAL A CG1 1 ATOM 530 C CG2 . VAL A 1 67 ? 12.785 19.724 64.102 1.00 61.85 ? 325 VAL A CG2 1 ATOM 531 N N . VAL A 1 68 ? 11.730 18.765 61.331 1.00 51.56 ? 326 VAL A N 1 ATOM 532 C CA . VAL A 1 68 ? 12.301 18.244 60.117 1.00 49.93 ? 326 VAL A CA 1 ATOM 533 C C . VAL A 1 68 ? 13.658 18.864 59.844 1.00 48.41 ? 326 VAL A C 1 ATOM 534 O O . VAL A 1 68 ? 13.890 20.031 60.141 1.00 52.46 ? 326 VAL A O 1 ATOM 535 C CB . VAL A 1 68 ? 11.326 18.372 58.904 1.00 51.29 ? 326 VAL A CB 1 ATOM 536 C CG1 . VAL A 1 68 ? 10.081 19.169 59.252 1.00 53.35 ? 326 VAL A CG1 1 ATOM 537 C CG2 . VAL A 1 68 ? 12.004 18.935 57.659 1.00 51.82 ? 326 VAL A CG2 1 ATOM 538 N N . SER A 1 69 ? 14.547 18.045 59.290 1.00 45.80 ? 327 SER A N 1 ATOM 539 C CA . SER A 1 69 ? 15.867 18.468 58.849 1.00 45.11 ? 327 SER A CA 1 ATOM 540 C C . SER A 1 69 ? 16.004 18.091 57.375 1.00 45.14 ? 327 SER A C 1 ATOM 541 O O . SER A 1 69 ? 15.643 16.982 56.951 1.00 45.31 ? 327 SER A O 1 ATOM 542 C CB . SER A 1 69 ? 16.952 17.786 59.697 1.00 45.12 ? 327 SER A CB 1 ATOM 543 O OG . SER A 1 69 ? 18.236 18.318 59.424 1.00 42.81 ? 327 SER A OG 1 ATOM 544 N N . VAL A 1 70 ? 16.522 19.029 56.598 1.00 45.15 ? 328 VAL A N 1 ATOM 545 C CA . VAL A 1 70 ? 16.664 18.866 55.166 1.00 45.77 ? 328 VAL A CA 1 ATOM 546 C C . VAL A 1 70 ? 18.143 18.895 54.763 1.00 48.54 ? 328 VAL A C 1 ATOM 547 O O . VAL A 1 70 ? 18.857 19.865 55.031 1.00 49.03 ? 328 VAL A O 1 ATOM 548 C CB . VAL A 1 70 ? 15.863 19.969 54.448 1.00 45.82 ? 328 VAL A CB 1 ATOM 549 C CG1 . VAL A 1 70 ? 15.942 19.841 52.935 1.00 45.39 ? 328 VAL A CG1 1 ATOM 550 C CG2 . VAL A 1 70 ? 14.414 19.896 54.900 1.00 47.86 ? 328 VAL A CG2 1 ATOM 551 N N . LEU A 1 71 ? 18.612 17.820 54.129 1.00 49.09 ? 329 LEU A N 1 ATOM 552 C CA . LEU A 1 71 ? 19.979 17.796 53.639 1.00 46.57 ? 329 LEU A CA 1 ATOM 553 C C . LEU A 1 71 ? 19.971 17.816 52.128 1.00 45.44 ? 329 LEU A C 1 ATOM 554 O O . LEU A 1 71 ? 19.405 16.919 51.503 1.00 46.99 ? 329 LEU A O 1 ATOM 555 C CB . LEU A 1 71 ? 20.683 16.557 54.161 1.00 47.63 ? 329 LEU A CB 1 ATOM 556 C CG . LEU A 1 71 ? 22.121 16.343 53.707 1.00 50.17 ? 329 LEU A CG 1 ATOM 557 C CD1 . LEU A 1 71 ? 23.007 17.481 54.179 1.00 51.28 ? 329 LEU A CD1 1 ATOM 558 C CD2 . LEU A 1 71 ? 22.615 15.002 54.240 1.00 52.23 ? 329 LEU A CD2 1 ATOM 559 N N . THR A 1 72 ? 20.571 18.838 51.526 1.00 43.83 ? 330 THR A N 1 ATOM 560 C CA . THR A 1 72 ? 20.701 18.825 50.085 1.00 49.78 ? 330 THR A CA 1 ATOM 561 C C . THR A 1 72 ? 21.803 17.820 49.725 1.00 49.26 ? 330 THR A C 1 ATOM 562 O O . THR A 1 72 ? 22.795 17.682 50.443 1.00 51.88 ? 330 THR A O 1 ATOM 563 C CB . THR A 1 72 ? 20.977 20.214 49.471 1.00 54.28 ? 330 THR A CB 1 ATOM 564 O OG1 . THR A 1 72 ? 22.228 20.703 49.934 1.00 64.60 ? 330 THR A OG1 1 ATOM 565 C CG2 . THR A 1 72 ? 19.871 21.219 49.829 1.00 55.93 ? 330 THR A CG2 1 ATOM 566 N N . VAL A 1 73 ? 21.593 17.082 48.643 1.00 44.45 ? 331 VAL A N 1 ATOM 567 C CA . VAL A 1 73 ? 22.544 16.071 48.209 1.00 43.61 ? 331 VAL A CA 1 ATOM 568 C C . VAL A 1 73 ? 23.102 16.501 46.878 1.00 37.95 ? 331 VAL A C 1 ATOM 569 O O . VAL A 1 73 ? 22.432 17.165 46.118 1.00 37.04 ? 331 VAL A O 1 ATOM 570 C CB . VAL A 1 73 ? 21.893 14.683 48.093 1.00 45.53 ? 331 VAL A CB 1 ATOM 571 C CG1 . VAL A 1 73 ? 21.273 14.283 49.412 1.00 46.36 ? 331 VAL A CG1 1 ATOM 572 C CG2 . VAL A 1 73 ? 20.824 14.662 47.022 1.00 48.19 ? 331 VAL A CG2 1 ATOM 573 N N . LEU A 1 74 ? 24.348 16.176 46.613 1.00 36.97 ? 332 LEU A N 1 ATOM 574 C CA . LEU A 1 74 ? 24.867 16.404 45.295 1.00 37.10 ? 332 LEU A CA 1 ATOM 575 C C . LEU A 1 74 ? 24.315 15.299 44.385 1.00 38.95 ? 332 LEU A C 1 ATOM 576 O O . LEU A 1 74 ? 24.266 14.132 44.762 1.00 37.21 ? 332 LEU A O 1 ATOM 577 C CB . LEU A 1 74 ? 26.382 16.363 45.284 1.00 38.95 ? 332 LEU A CB 1 ATOM 578 C CG . LEU A 1 74 ? 27.136 17.202 46.311 1.00 42.87 ? 332 LEU A CG 1 ATOM 579 C CD1 . LEU A 1 74 ? 28.636 16.947 46.144 1.00 42.77 ? 332 LEU A CD1 1 ATOM 580 C CD2 . LEU A 1 74 ? 26.791 18.693 46.211 1.00 40.87 ? 332 LEU A CD2 1 ATOM 581 N N . HIS A 1 75 ? 23.956 15.688 43.174 1.00 41.11 ? 333 HIS A N 1 ATOM 582 C CA . HIS A 1 75 ? 23.289 14.823 42.217 1.00 44.64 ? 333 HIS A CA 1 ATOM 583 C C . HIS A 1 75 ? 24.120 13.554 42.022 1.00 42.36 ? 333 HIS A C 1 ATOM 584 O O . HIS A 1 75 ? 23.609 12.451 42.065 1.00 43.43 ? 333 HIS A O 1 ATOM 585 C CB . HIS A 1 75 ? 23.133 15.539 40.865 1.00 45.16 ? 333 HIS A CB 1 ATOM 586 C CG . HIS A 1 75 ? 22.279 16.772 40.901 1.00 46.79 ? 333 HIS A CG 1 ATOM 587 N ND1 . HIS A 1 75 ? 22.653 17.925 41.552 1.00 48.17 ? 333 HIS A ND1 1 ATOM 588 C CD2 . HIS A 1 75 ? 21.081 17.040 40.325 1.00 49.03 ? 333 HIS A CD2 1 ATOM 589 C CE1 . HIS A 1 75 ? 21.711 18.840 41.406 1.00 50.31 ? 333 HIS A CE1 1 ATOM 590 N NE2 . HIS A 1 75 ? 20.750 18.333 40.656 1.00 50.42 ? 333 HIS A NE2 1 ATOM 591 N N . GLN A 1 76 ? 25.414 13.724 41.828 1.00 43.91 ? 334 GLN A N 1 ATOM 592 C CA . GLN A 1 76 ? 26.301 12.594 41.562 1.00 45.74 ? 334 GLN A CA 1 ATOM 593 C C . GLN A 1 76 ? 26.557 11.705 42.761 1.00 45.98 ? 334 GLN A C 1 ATOM 594 O O . GLN A 1 76 ? 26.892 10.541 42.571 1.00 50.16 ? 334 GLN A O 1 ATOM 595 C CB . GLN A 1 76 ? 27.635 13.055 40.967 1.00 46.48 ? 334 GLN A CB 1 ATOM 596 C CG . GLN A 1 76 ? 27.602 13.185 39.452 1.00 52.67 ? 334 GLN A CG 1 ATOM 597 C CD . GLN A 1 76 ? 27.081 11.925 38.734 1.00 60.23 ? 334 GLN A CD 1 ATOM 598 O OE1 . GLN A 1 76 ? 27.273 10.777 39.187 1.00 64.72 ? 334 GLN A OE1 1 ATOM 599 N NE2 . GLN A 1 76 ? 26.409 12.139 37.611 1.00 62.94 ? 334 GLN A NE2 1 ATOM 600 N N . ASP A 1 77 ? 26.421 12.231 43.977 1.00 39.81 ? 335 ASP A N 1 ATOM 601 C CA . ASP A 1 77 ? 26.539 11.401 45.153 1.00 39.06 ? 335 ASP A CA 1 ATOM 602 C C . ASP A 1 77 ? 25.347 10.463 45.240 1.00 39.02 ? 335 ASP A C 1 ATOM 603 O O . ASP A 1 77 ? 25.472 9.315 45.668 1.00 42.52 ? 335 ASP A O 1 ATOM 604 C CB . ASP A 1 77 ? 26.618 12.236 46.444 1.00 42.63 ? 335 ASP A CB 1 ATOM 605 C CG . ASP A 1 77 ? 27.896 13.074 46.542 1.00 45.07 ? 335 ASP A CG 1 ATOM 606 O OD1 . ASP A 1 77 ? 28.784 12.951 45.667 1.00 48.04 ? 335 ASP A OD1 1 ATOM 607 O OD2 . ASP A 1 77 ? 28.001 13.876 47.486 1.00 39.56 ? 335 ASP A OD2 1 ATOM 608 N N . TRP A 1 78 ? 24.176 10.947 44.864 1.00 34.63 ? 336 TRP A N 1 ATOM 609 C CA . TRP A 1 78 ? 23.010 10.132 45.003 1.00 34.01 ? 336 TRP A CA 1 ATOM 610 C C . TRP A 1 78 ? 23.084 9.021 43.958 1.00 34.72 ? 336 TRP A C 1 ATOM 611 O O . TRP A 1 78 ? 22.864 7.857 44.270 1.00 34.75 ? 336 TRP A O 1 ATOM 612 C CB . TRP A 1 78 ? 21.744 10.958 44.816 1.00 34.34 ? 336 TRP A CB 1 ATOM 613 C CG . TRP A 1 78 ? 20.546 10.108 44.841 1.00 33.66 ? 336 TRP A CG 1 ATOM 614 C CD1 . TRP A 1 78 ? 19.889 9.606 43.758 1.00 32.66 ? 336 TRP A CD1 1 ATOM 615 C CD2 . TRP A 1 78 ? 19.879 9.595 45.992 1.00 32.31 ? 336 TRP A CD2 1 ATOM 616 N NE1 . TRP A 1 78 ? 18.850 8.823 44.170 1.00 34.71 ? 336 TRP A NE1 1 ATOM 617 C CE2 . TRP A 1 78 ? 18.817 8.791 45.532 1.00 32.45 ? 336 TRP A CE2 1 ATOM 618 C CE3 . TRP A 1 78 ? 20.066 9.744 47.360 1.00 34.57 ? 336 TRP A CE3 1 ATOM 619 C CZ2 . TRP A 1 78 ? 17.934 8.145 46.386 1.00 32.98 ? 336 TRP A CZ2 1 ATOM 620 C CZ3 . TRP A 1 78 ? 19.181 9.091 48.227 1.00 36.30 ? 336 TRP A CZ3 1 ATOM 621 C CH2 . TRP A 1 78 ? 18.131 8.300 47.733 1.00 33.45 ? 336 TRP A CH2 1 ATOM 622 N N . LEU A 1 79 ? 23.407 9.402 42.731 1.00 34.32 ? 337 LEU A N 1 ATOM 623 C CA . LEU A 1 79 ? 23.483 8.479 41.607 1.00 37.60 ? 337 LEU A CA 1 ATOM 624 C C . LEU A 1 79 ? 24.653 7.526 41.724 1.00 38.39 ? 337 LEU A C 1 ATOM 625 O O . LEU A 1 79 ? 24.627 6.433 41.136 1.00 42.73 ? 337 LEU A O 1 ATOM 626 C CB . LEU A 1 79 ? 23.604 9.243 40.285 1.00 34.83 ? 337 LEU A CB 1 ATOM 627 C CG . LEU A 1 79 ? 22.326 10.023 39.963 1.00 38.91 ? 337 LEU A CG 1 ATOM 628 C CD1 . LEU A 1 79 ? 22.541 10.868 38.737 1.00 39.96 ? 337 LEU A CD1 1 ATOM 629 C CD2 . LEU A 1 79 ? 21.100 9.121 39.797 1.00 38.90 ? 337 LEU A CD2 1 ATOM 630 N N . ASN A 1 80 ? 25.658 7.947 42.484 1.00 35.00 ? 338 ASN A N 1 ATOM 631 C CA . ASN A 1 80 ? 26.764 7.086 42.848 1.00 38.63 ? 338 ASN A CA 1 ATOM 632 C C . ASN A 1 80 ? 26.510 6.197 44.069 1.00 37.94 ? 338 ASN A C 1 ATOM 633 O O . ASN A 1 80 ? 27.410 5.508 44.516 1.00 38.55 ? 338 ASN A O 1 ATOM 634 C CB . ASN A 1 80 ? 28.024 7.920 43.067 1.00 38.67 ? 338 ASN A CB 1 ATOM 635 C CG . ASN A 1 80 ? 28.636 8.367 41.778 1.00 38.78 ? 338 ASN A CG 1 ATOM 636 O OD1 . ASN A 1 80 ? 28.377 7.796 40.710 1.00 43.74 ? 338 ASN A OD1 1 ATOM 637 N ND2 . ASN A 1 80 ? 29.460 9.379 41.856 1.00 40.25 ? 338 ASN A ND2 1 ATOM 638 N N . GLY A 1 81 ? 25.298 6.215 44.609 1.00 38.83 ? 339 GLY A N 1 ATOM 639 C CA . GLY A 1 81 ? 24.925 5.251 45.623 1.00 40.14 ? 339 GLY A CA 1 ATOM 640 C C . GLY A 1 81 ? 25.388 5.595 47.024 1.00 41.64 ? 339 GLY A C 1 ATOM 641 O O . GLY A 1 81 ? 25.364 4.745 47.911 1.00 38.96 ? 339 GLY A O 1 ATOM 642 N N . LYS A 1 82 ? 25.766 6.846 47.270 1.00 40.10 ? 340 LYS A N 1 ATOM 643 C CA . LYS A 1 82 ? 26.129 7.207 48.640 1.00 39.34 ? 340 LYS A CA 1 ATOM 644 C C . LYS A 1 82 ? 24.971 6.973 49.612 1.00 38.40 ? 340 LYS A C 1 ATOM 645 O O . LYS A 1 82 ? 23.799 7.130 49.252 1.00 40.51 ? 340 LYS A O 1 ATOM 646 C CB . LYS A 1 82 ? 26.635 8.627 48.691 1.00 40.83 ? 340 LYS A CB 1 ATOM 647 C CG . LYS A 1 82 ? 27.970 8.783 47.960 1.00 40.28 ? 340 LYS A CG 1 ATOM 648 C CD . LYS A 1 82 ? 28.882 9.707 48.741 1.00 45.01 ? 340 LYS A CD 1 ATOM 649 C CE . LYS A 1 82 ? 30.348 9.523 48.398 1.00 50.31 ? 340 LYS A CE 1 ATOM 650 N NZ . LYS A 1 82 ? 30.639 9.992 47.024 1.00 53.64 ? 340 LYS A NZ 1 ATOM 651 N N . GLU A 1 83 ? 25.300 6.551 50.824 1.00 38.29 ? 341 GLU A N 1 ATOM 652 C CA . GLU A 1 83 ? 24.308 6.359 51.873 1.00 43.94 ? 341 GLU A CA 1 ATOM 653 C C . GLU A 1 83 ? 24.186 7.581 52.789 1.00 41.86 ? 341 GLU A C 1 ATOM 654 O O . GLU A 1 83 ? 25.197 8.112 53.237 1.00 40.95 ? 341 GLU A O 1 ATOM 655 C CB . GLU A 1 83 ? 24.697 5.173 52.734 1.00 50.02 ? 341 GLU A CB 1 ATOM 656 C CG . GLU A 1 83 ? 24.292 3.828 52.167 1.00 57.58 ? 341 GLU A CG 1 ATOM 657 C CD . GLU A 1 83 ? 24.496 2.726 53.184 1.00 62.83 ? 341 GLU A CD 1 ATOM 658 O OE1 . GLU A 1 83 ? 23.501 2.087 53.602 1.00 65.97 ? 341 GLU A OE1 1 ATOM 659 O OE2 . GLU A 1 83 ? 25.662 2.539 53.591 1.00 67.74 ? 341 GLU A OE2 1 ATOM 660 N N . TYR A 1 84 ? 22.952 7.963 53.105 1.00 38.49 ? 342 TYR A N 1 ATOM 661 C CA . TYR A 1 84 ? 22.662 9.174 53.874 1.00 41.21 ? 342 TYR A CA 1 ATOM 662 C C . TYR A 1 84 ? 22.003 8.756 55.158 1.00 42.04 ? 342 TYR A C 1 ATOM 663 O O . TYR A 1 84 ? 20.953 8.130 55.127 1.00 40.02 ? 342 TYR A O 1 ATOM 664 C CB . TYR A 1 84 ? 21.728 10.104 53.096 1.00 37.92 ? 342 TYR A CB 1 ATOM 665 C CG . TYR A 1 84 ? 22.388 10.673 51.873 1.00 34.99 ? 342 TYR A CG 1 ATOM 666 C CD1 . TYR A 1 84 ? 23.086 11.883 51.919 1.00 34.17 ? 342 TYR A CD1 1 ATOM 667 C CD2 . TYR A 1 84 ? 22.366 9.975 50.687 1.00 32.80 ? 342 TYR A CD2 1 ATOM 668 C CE1 . TYR A 1 84 ? 23.708 12.385 50.788 1.00 34.00 ? 342 TYR A CE1 1 ATOM 669 C CE2 . TYR A 1 84 ? 22.982 10.462 49.559 1.00 32.59 ? 342 TYR A CE2 1 ATOM 670 C CZ . TYR A 1 84 ? 23.647 11.661 49.604 1.00 32.65 ? 342 TYR A CZ 1 ATOM 671 O OH . TYR A 1 84 ? 24.254 12.094 48.449 1.00 32.77 ? 342 TYR A OH 1 ATOM 672 N N . LYS A 1 85 ? 22.648 9.051 56.282 1.00 43.99 ? 343 LYS A N 1 ATOM 673 C CA . LYS A 1 85 ? 22.136 8.608 57.564 1.00 47.41 ? 343 LYS A CA 1 ATOM 674 C C . LYS A 1 85 ? 21.704 9.824 58.343 1.00 48.11 ? 343 LYS A C 1 ATOM 675 O O . LYS A 1 85 ? 22.451 10.809 58.443 1.00 44.24 ? 343 LYS A O 1 ATOM 676 C CB . LYS A 1 85 ? 23.193 7.839 58.355 1.00 51.04 ? 343 LYS A CB 1 ATOM 677 C CG . LYS A 1 85 ? 22.663 7.265 59.660 1.00 56.11 ? 343 LYS A CG 1 ATOM 678 C CD . LYS A 1 85 ? 23.777 6.904 60.629 1.00 59.98 ? 343 LYS A CD 1 ATOM 679 C CE . LYS A 1 85 ? 24.377 5.537 60.354 1.00 60.15 ? 343 LYS A CE 1 ATOM 680 N NZ . LYS A 1 85 ? 25.729 5.437 60.983 1.00 63.56 ? 343 LYS A NZ 1 ATOM 681 N N . CYS A 1 86 ? 20.491 9.738 58.873 1.00 46.18 ? 344 CYS A N 1 ATOM 682 C CA . CYS A 1 86 ? 19.971 10.702 59.823 1.00 51.18 ? 344 CYS A CA 1 ATOM 683 C C . CYS A 1 86 ? 19.960 10.077 61.217 1.00 50.51 ? 344 CYS A C 1 ATOM 684 O O . CYS A 1 86 ? 19.351 9.016 61.428 1.00 45.47 ? 344 CYS A O 1 ATOM 685 C CB . CYS A 1 86 ? 18.544 11.092 59.439 1.00 52.46 ? 344 CYS A CB 1 ATOM 686 S SG . CYS A 1 86 ? 17.856 12.339 60.539 1.00 60.66 ? 344 CYS A SG 1 ATOM 687 N N . LYS A 1 87 ? 20.640 10.731 62.156 1.00 55.74 ? 345 LYS A N 1 ATOM 688 C CA . LYS A 1 87 ? 20.609 10.327 63.559 1.00 58.60 ? 345 LYS A CA 1 ATOM 689 C C . LYS A 1 87 ? 19.816 11.346 64.349 1.00 53.86 ? 345 LYS A C 1 ATOM 690 O O . LYS A 1 87 ? 20.159 12.525 64.366 1.00 50.73 ? 345 LYS A O 1 ATOM 691 C CB . LYS A 1 87 ? 22.014 10.210 64.150 1.00 66.79 ? 345 LYS A CB 1 ATOM 692 C CG . LYS A 1 87 ? 22.008 9.555 65.530 1.00 76.80 ? 345 LYS A CG 1 ATOM 693 C CD . LYS A 1 87 ? 23.393 9.201 66.043 1.00 79.83 ? 345 LYS A CD 1 ATOM 694 C CE . LYS A 1 87 ? 24.086 10.423 66.608 1.00 86.52 ? 345 LYS A CE 1 ATOM 695 N NZ . LYS A 1 87 ? 25.447 10.068 67.085 1.00 95.52 ? 345 LYS A NZ 1 ATOM 696 N N . VAL A 1 88 ? 18.757 10.877 65.000 1.00 55.88 ? 346 VAL A N 1 ATOM 697 C CA . VAL A 1 88 ? 17.896 11.725 65.809 1.00 58.21 ? 346 VAL A CA 1 ATOM 698 C C . VAL A 1 88 ? 18.120 11.426 67.281 1.00 57.07 ? 346 VAL A C 1 ATOM 699 O O . VAL A 1 88 ? 17.931 10.289 67.723 1.00 56.57 ? 346 VAL A O 1 ATOM 700 C CB . VAL A 1 88 ? 16.421 11.481 65.467 1.00 63.46 ? 346 VAL A CB 1 ATOM 701 C CG1 . VAL A 1 88 ? 15.529 12.444 66.238 1.00 62.93 ? 346 VAL A CG1 1 ATOM 702 C CG2 . VAL A 1 88 ? 16.199 11.626 63.962 1.00 64.22 ? 346 VAL A CG2 1 ATOM 703 N N . SER A 1 89 ? 18.543 12.439 68.030 1.00 57.39 ? 347 SER A N 1 ATOM 704 C CA . SER A 1 89 ? 18.780 12.276 69.464 1.00 61.44 ? 347 SER A CA 1 ATOM 705 C C . SER A 1 89 ? 17.800 13.138 70.233 1.00 62.80 ? 347 SER A C 1 ATOM 706 O O . SER A 1 89 ? 17.549 14.294 69.860 1.00 60.60 ? 347 SER A O 1 ATOM 707 C CB . SER A 1 89 ? 20.204 12.661 69.818 1.00 62.61 ? 347 SER A CB 1 ATOM 708 O OG . SER A 1 89 ? 21.116 11.943 69.013 1.00 68.27 ? 347 SER A OG 1 ATOM 709 N N . ASN A 1 90 ? 17.244 12.557 71.293 1.00 65.87 ? 348 ASN A N 1 ATOM 710 C CA . ASN A 1 90 ? 16.207 13.202 72.100 1.00 68.25 ? 348 ASN A CA 1 ATOM 711 C C . ASN A 1 90 ? 16.294 12.723 73.540 1.00 69.39 ? 348 ASN A C 1 ATOM 712 O O . ASN A 1 90 ? 16.509 11.540 73.786 1.00 59.51 ? 348 ASN A O 1 ATOM 713 C CB . ASN A 1 90 ? 14.822 12.885 71.538 1.00 69.95 ? 348 ASN A CB 1 ATOM 714 C CG . ASN A 1 90 ? 13.706 13.589 72.289 1.00 68.92 ? 348 ASN A CG 1 ATOM 715 O OD1 . ASN A 1 90 ? 13.032 12.982 73.119 1.00 68.46 ? 348 ASN A OD1 1 ATOM 716 N ND2 . ASN A 1 90 ? 13.507 14.876 72.002 1.00 67.96 ? 348 ASN A ND2 1 ATOM 717 N N . LYS A 1 91 ? 16.118 13.649 74.482 1.00 75.58 ? 349 LYS A N 1 ATOM 718 C CA . LYS A 1 91 ? 16.268 13.347 75.906 1.00 78.62 ? 349 LYS A CA 1 ATOM 719 C C . LYS A 1 91 ? 15.362 12.210 76.382 1.00 77.01 ? 349 LYS A C 1 ATOM 720 O O . LYS A 1 91 ? 15.736 11.466 77.276 1.00 75.04 ? 349 LYS A O 1 ATOM 721 C CB . LYS A 1 91 ? 16.004 14.602 76.744 1.00 83.94 ? 349 LYS A CB 1 ATOM 722 N N . ALA A 1 92 ? 14.183 12.073 75.777 1.00 80.01 ? 350 ALA A N 1 ATOM 723 C CA . ALA A 1 92 ? 13.216 11.038 76.159 1.00 84.37 ? 350 ALA A CA 1 ATOM 724 C C . ALA A 1 92 ? 13.325 9.763 75.317 1.00 84.86 ? 350 ALA A C 1 ATOM 725 O O . ALA A 1 92 ? 12.312 9.251 74.849 1.00 84.38 ? 350 ALA A O 1 ATOM 726 C CB . ALA A 1 92 ? 11.807 11.601 76.047 1.00 88.97 ? 350 ALA A CB 1 ATOM 727 N N . LEU A 1 93 ? 14.537 9.229 75.168 1.00 88.76 ? 351 LEU A N 1 ATOM 728 C CA . LEU A 1 93 ? 14.816 8.191 74.169 1.00 86.68 ? 351 LEU A CA 1 ATOM 729 C C . LEU A 1 93 ? 15.873 7.195 74.678 1.00 88.09 ? 351 LEU A C 1 ATOM 730 O O . LEU A 1 93 ? 16.975 7.612 75.046 1.00 87.50 ? 351 LEU A O 1 ATOM 731 C CB . LEU A 1 93 ? 15.314 8.882 72.893 1.00 87.71 ? 351 LEU A CB 1 ATOM 732 C CG . LEU A 1 93 ? 15.032 8.285 71.514 1.00 85.98 ? 351 LEU A CG 1 ATOM 733 C CD1 . LEU A 1 93 ? 13.541 8.135 71.253 1.00 85.20 ? 351 LEU A CD1 1 ATOM 734 C CD2 . LEU A 1 93 ? 15.666 9.172 70.454 1.00 84.83 ? 351 LEU A CD2 1 ATOM 735 N N . PRO A 1 94 ? 15.549 5.879 74.702 1.00 86.96 ? 352 PRO A N 1 ATOM 736 C CA . PRO A 1 94 ? 16.514 4.875 75.200 1.00 87.18 ? 352 PRO A CA 1 ATOM 737 C C . PRO A 1 94 ? 17.902 4.985 74.566 1.00 86.91 ? 352 PRO A C 1 ATOM 738 O O . PRO A 1 94 ? 18.911 4.777 75.240 1.00 88.85 ? 352 PRO A O 1 ATOM 739 C CB . PRO A 1 94 ? 15.851 3.540 74.831 1.00 84.91 ? 352 PRO A CB 1 ATOM 740 C CG . PRO A 1 94 ? 14.390 3.838 74.849 1.00 83.57 ? 352 PRO A CG 1 ATOM 741 C CD . PRO A 1 94 ? 14.254 5.257 74.354 1.00 86.15 ? 352 PRO A CD 1 ATOM 742 N N . ALA A 1 95 ? 17.928 5.297 73.272 1.00 88.25 ? 353 ALA A N 1 ATOM 743 C CA . ALA A 1 95 ? 19.154 5.637 72.540 1.00 82.05 ? 353 ALA A CA 1 ATOM 744 C C . ALA A 1 95 ? 18.751 6.466 71.315 1.00 77.37 ? 353 ALA A C 1 ATOM 745 O O . ALA A 1 95 ? 17.579 6.458 70.934 1.00 75.50 ? 353 ALA A O 1 ATOM 746 C CB . ALA A 1 95 ? 19.886 4.372 72.118 1.00 80.42 ? 353 ALA A CB 1 ATOM 747 N N . PRO A 1 96 ? 19.702 7.197 70.699 1.00 75.15 ? 354 PRO A N 1 ATOM 748 C CA . PRO A 1 96 ? 19.327 7.930 69.484 1.00 74.33 ? 354 PRO A CA 1 ATOM 749 C C . PRO A 1 96 ? 18.797 6.974 68.419 1.00 71.93 ? 354 PRO A C 1 ATOM 750 O O . PRO A 1 96 ? 19.126 5.794 68.448 1.00 70.89 ? 354 PRO A O 1 ATOM 751 C CB . PRO A 1 96 ? 20.643 8.573 69.034 1.00 75.82 ? 354 PRO A CB 1 ATOM 752 C CG . PRO A 1 96 ? 21.479 8.649 70.275 1.00 73.64 ? 354 PRO A CG 1 ATOM 753 C CD . PRO A 1 96 ? 21.109 7.432 71.071 1.00 74.87 ? 354 PRO A CD 1 ATOM 754 N N . ILE A 1 97 ? 17.955 7.472 67.522 1.00 68.91 ? 355 ILE A N 1 ATOM 755 C CA . ILE A 1 97 ? 17.399 6.656 66.438 1.00 66.94 ? 355 ILE A CA 1 ATOM 756 C C . ILE A 1 97 ? 18.082 7.009 65.123 1.00 60.62 ? 355 ILE A C 1 ATOM 757 O O . ILE A 1 97 ? 18.275 8.185 64.816 1.00 57.91 ? 355 ILE A O 1 ATOM 758 C CB . ILE A 1 97 ? 15.888 6.893 66.286 1.00 68.05 ? 355 ILE A CB 1 ATOM 759 C CG1 . ILE A 1 97 ? 15.134 6.232 67.434 1.00 66.37 ? 355 ILE A CG1 1 ATOM 760 C CG2 . ILE A 1 97 ? 15.382 6.356 64.949 1.00 71.26 ? 355 ILE A CG2 1 ATOM 761 C CD1 . ILE A 1 97 ? 13.776 6.847 67.682 1.00 65.05 ? 355 ILE A CD1 1 ATOM 762 N N . GLU A 1 98 ? 18.415 5.990 64.340 1.00 55.88 ? 356 GLU A N 1 ATOM 763 C CA . GLU A 1 98 ? 19.136 6.192 63.089 1.00 55.83 ? 356 GLU A CA 1 ATOM 764 C C . GLU A 1 98 ? 18.350 5.643 61.909 1.00 54.36 ? 356 GLU A C 1 ATOM 765 O O . GLU A 1 98 ? 17.805 4.548 61.984 1.00 55.74 ? 356 GLU A O 1 ATOM 766 C CB . GLU A 1 98 ? 20.502 5.510 63.162 1.00 59.55 ? 356 GLU A CB 1 ATOM 767 C CG . GLU A 1 98 ? 21.518 6.268 64.006 1.00 64.60 ? 356 GLU A CG 1 ATOM 768 C CD . GLU A 1 98 ? 22.891 5.604 64.013 1.00 72.96 ? 356 GLU A CD 1 ATOM 769 O OE1 . GLU A 1 98 ? 23.886 6.298 64.368 1.00 72.12 ? 356 GLU A OE1 1 ATOM 770 O OE2 . GLU A 1 98 ? 22.973 4.394 63.655 1.00 70.24 ? 356 GLU A OE2 1 ATOM 771 N N . LYS A 1 99 ? 18.282 6.408 60.823 1.00 51.16 ? 357 LYS A N 1 ATOM 772 C CA . LYS A 1 99 ? 17.685 5.932 59.580 1.00 48.00 ? 357 LYS A CA 1 ATOM 773 C C . LYS A 1 99 ? 18.662 6.199 58.478 1.00 46.60 ? 357 LYS A C 1 ATOM 774 O O . LYS A 1 99 ? 19.425 7.149 58.537 1.00 44.22 ? 357 LYS A O 1 ATOM 775 C CB . LYS A 1 99 ? 16.366 6.641 59.274 1.00 50.29 ? 357 LYS A CB 1 ATOM 776 C CG . LYS A 1 99 ? 15.256 6.412 60.298 1.00 51.76 ? 357 LYS A CG 1 ATOM 777 C CD . LYS A 1 99 ? 15.153 4.964 60.745 1.00 52.43 ? 357 LYS A CD 1 ATOM 778 C CE . LYS A 1 99 ? 13.794 4.630 61.331 1.00 58.02 ? 357 LYS A CE 1 ATOM 779 N NZ . LYS A 1 99 ? 12.815 4.281 60.256 1.00 62.36 ? 357 LYS A NZ 1 ATOM 780 N N . THR A 1 100 ? 18.645 5.335 57.476 1.00 48.26 ? 358 THR A N 1 ATOM 781 C CA . THR A 1 100 ? 19.603 5.389 56.386 1.00 51.03 ? 358 THR A CA 1 ATOM 782 C C . THR A 1 100 ? 18.850 5.172 55.086 1.00 49.26 ? 358 THR A C 1 ATOM 783 O O . THR A 1 100 ? 17.942 4.351 55.022 1.00 52.65 ? 358 THR A O 1 ATOM 784 C CB . THR A 1 100 ? 20.709 4.330 56.578 1.00 53.40 ? 358 THR A CB 1 ATOM 785 O OG1 . THR A 1 100 ? 21.434 4.642 57.776 1.00 53.60 ? 358 THR A OG1 1 ATOM 786 C CG2 . THR A 1 100 ? 21.676 4.318 55.410 1.00 54.10 ? 358 THR A CG2 1 ATOM 787 N N . ILE A 1 101 ? 19.193 5.948 54.064 1.00 45.93 ? 359 ILE A N 1 ATOM 788 C CA . ILE A 1 101 ? 18.512 5.853 52.798 1.00 42.91 ? 359 ILE A CA 1 ATOM 789 C C . ILE A 1 101 ? 19.538 6.063 51.715 1.00 41.33 ? 359 ILE A C 1 ATOM 790 O O . ILE A 1 101 ? 20.565 6.699 51.946 1.00 38.84 ? 359 ILE A O 1 ATOM 791 C CB . ILE A 1 101 ? 17.380 6.890 52.684 1.00 48.44 ? 359 ILE A CB 1 ATOM 792 C CG1 . ILE A 1 101 ? 16.431 6.524 51.547 1.00 52.21 ? 359 ILE A CG1 1 ATOM 793 C CG2 . ILE A 1 101 ? 17.935 8.302 52.487 1.00 48.23 ? 359 ILE A CG2 1 ATOM 794 C CD1 . ILE A 1 101 ? 15.064 7.171 51.639 1.00 56.97 ? 359 ILE A CD1 1 ATOM 795 N N . SER A 1 102 ? 19.265 5.490 50.544 1.00 39.64 ? 360 SER A N 1 ATOM 796 C CA . SER A 1 102 ? 20.152 5.599 49.397 1.00 38.71 ? 360 SER A CA 1 ATOM 797 C C . SER A 1 102 ? 19.414 5.128 48.171 1.00 37.20 ? 360 SER A C 1 ATOM 798 O O . SER A 1 102 ? 18.330 4.626 48.256 1.00 36.97 ? 360 SER A O 1 ATOM 799 C CB . SER A 1 102 ? 21.385 4.725 49.579 1.00 39.01 ? 360 SER A CB 1 ATOM 800 O OG . SER A 1 102 ? 21.048 3.375 49.344 1.00 41.69 ? 360 SER A OG 1 ATOM 801 N N . LYS A 1 103 ? 20.022 5.293 47.015 1.00 39.94 ? 361 LYS A N 1 ATOM 802 C CA . LYS A 1 103 ? 19.456 4.788 45.792 1.00 38.90 ? 361 LYS A CA 1 ATOM 803 C C . LYS A 1 103 ? 19.510 3.265 45.905 1.00 42.84 ? 361 LYS A C 1 ATOM 804 O O . LYS A 1 103 ? 20.418 2.728 46.537 1.00 43.13 ? 361 LYS A O 1 ATOM 805 C CB . LYS A 1 103 ? 20.312 5.258 44.638 1.00 40.85 ? 361 LYS A CB 1 ATOM 806 C CG . LYS A 1 103 ? 19.670 5.108 43.287 1.00 40.81 ? 361 LYS A CG 1 ATOM 807 C CD . LYS A 1 103 ? 20.658 5.498 42.215 1.00 41.82 ? 361 LYS A CD 1 ATOM 808 C CE . LYS A 1 103 ? 21.806 4.494 42.184 1.00 43.64 ? 361 LYS A CE 1 ATOM 809 N NZ . LYS A 1 103 ? 22.454 4.446 40.857 1.00 45.34 ? 361 LYS A NZ 1 ATOM 810 N N . ALA A 1 104 ? 18.540 2.574 45.323 1.00 40.75 ? 362 ALA A N 1 ATOM 811 C CA . ALA A 1 104 ? 18.459 1.127 45.453 1.00 42.41 ? 362 ALA A CA 1 ATOM 812 C C . ALA A 1 104 ? 19.678 0.483 44.799 1.00 41.88 ? 362 ALA A C 1 ATOM 813 O O . ALA A 1 104 ? 20.134 0.927 43.757 1.00 44.19 ? 362 ALA A O 1 ATOM 814 C CB . ALA A 1 104 ? 17.170 0.612 44.832 1.00 39.77 ? 362 ALA A CB 1 ATOM 815 N N . LYS A 1 105 ? 20.218 -0.541 45.436 1.00 45.01 ? 363 LYS A N 1 ATOM 816 C CA . LYS A 1 105 ? 21.416 -1.232 44.942 1.00 47.91 ? 363 LYS A CA 1 ATOM 817 C C . LYS A 1 105 ? 21.133 -2.104 43.720 1.00 46.92 ? 363 LYS A C 1 ATOM 818 O O . LYS A 1 105 ? 20.140 -2.824 43.675 1.00 49.22 ? 363 LYS A O 1 ATOM 819 C CB . LYS A 1 105 ? 21.979 -2.135 46.033 1.00 50.75 ? 363 LYS A CB 1 ATOM 820 C CG . LYS A 1 105 ? 22.488 -1.389 47.257 1.00 58.34 ? 363 LYS A CG 1 ATOM 821 C CD . LYS A 1 105 ? 22.927 -2.354 48.354 1.00 60.53 ? 363 LYS A CD 1 ATOM 822 C CE . LYS A 1 105 ? 24.140 -1.847 49.123 1.00 62.22 ? 363 LYS A CE 1 ATOM 823 N NZ . LYS A 1 105 ? 24.758 -2.972 49.874 1.00 65.09 ? 363 LYS A NZ 1 ATOM 824 N N . GLY A 1 106 ? 22.023 -2.044 42.743 1.00 43.48 ? 364 GLY A N 1 ATOM 825 C CA . GLY A 1 106 ? 21.950 -2.899 41.584 1.00 43.37 ? 364 GLY A CA 1 ATOM 826 C C . GLY A 1 106 ? 22.574 -2.179 40.421 1.00 47.14 ? 364 GLY A C 1 ATOM 827 O O . GLY A 1 106 ? 22.998 -1.014 40.567 1.00 49.29 ? 364 GLY A O 1 ATOM 828 N N . GLN A 1 107 ? 22.660 -2.862 39.277 1.00 42.40 ? 365 GLN A N 1 ATOM 829 C CA . GLN A 1 107 ? 23.125 -2.212 38.056 1.00 42.87 ? 365 GLN A CA 1 ATOM 830 C C . GLN A 1 107 ? 21.960 -1.517 37.369 1.00 41.04 ? 365 GLN A C 1 ATOM 831 O O . GLN A 1 107 ? 20.915 -2.130 37.184 1.00 43.76 ? 365 GLN A O 1 ATOM 832 C CB . GLN A 1 107 ? 23.787 -3.217 37.111 1.00 41.99 ? 365 GLN A CB 1 ATOM 833 C CG . GLN A 1 107 ? 25.075 -3.802 37.689 1.00 45.08 ? 365 GLN A CG 1 ATOM 834 C CD . GLN A 1 107 ? 26.068 -2.710 38.063 1.00 42.26 ? 365 GLN A CD 1 ATOM 835 O OE1 . GLN A 1 107 ? 26.656 -2.065 37.196 1.00 43.10 ? 365 GLN A OE1 1 ATOM 836 N NE2 . GLN A 1 107 ? 26.233 -2.485 39.346 1.00 41.98 ? 365 GLN A NE2 1 ATOM 837 N N . PRO A 1 108 ? 22.129 -0.230 37.020 1.00 41.57 ? 366 PRO A N 1 ATOM 838 C CA . PRO A 1 108 ? 21.119 0.496 36.285 1.00 41.68 ? 366 PRO A CA 1 ATOM 839 C C . PRO A 1 108 ? 20.852 -0.108 34.953 1.00 45.24 ? 366 PRO A C 1 ATOM 840 O O . PRO A 1 108 ? 21.747 -0.683 34.338 1.00 51.98 ? 366 PRO A O 1 ATOM 841 C CB . PRO A 1 108 ? 21.740 1.879 36.072 1.00 43.05 ? 366 PRO A CB 1 ATOM 842 C CG . PRO A 1 108 ? 22.702 2.054 37.200 1.00 41.54 ? 366 PRO A CG 1 ATOM 843 C CD . PRO A 1 108 ? 23.169 0.676 37.562 1.00 44.08 ? 366 PRO A CD 1 ATOM 844 N N . ARG A 1 109 ? 19.619 0.045 34.492 1.00 49.19 ? 367 ARG A N 1 ATOM 845 C CA . ARG A 1 109 ? 19.206 -0.511 33.224 1.00 49.18 ? 367 ARG A CA 1 ATOM 846 C C . ARG A 1 109 ? 18.332 0.486 32.512 1.00 47.92 ? 367 ARG A C 1 ATOM 847 O O . ARG A 1 109 ? 17.486 1.162 33.120 1.00 52.78 ? 367 ARG A O 1 ATOM 848 C CB . ARG A 1 109 ? 18.499 -1.845 33.444 1.00 50.55 ? 367 ARG A CB 1 ATOM 849 C CG . ARG A 1 109 ? 19.455 -2.893 33.999 1.00 52.28 ? 367 ARG A CG 1 ATOM 850 C CD . ARG A 1 109 ? 18.786 -4.212 34.314 1.00 54.39 ? 367 ARG A CD 1 ATOM 851 N NE . ARG A 1 109 ? 18.093 -4.737 33.143 1.00 57.00 ? 367 ARG A NE 1 ATOM 852 C CZ . ARG A 1 109 ? 17.392 -5.861 33.137 1.00 55.99 ? 367 ARG A CZ 1 ATOM 853 N NH1 . ARG A 1 109 ? 17.290 -6.619 34.238 1.00 58.28 ? 367 ARG A NH1 1 ATOM 854 N NH2 . ARG A 1 109 ? 16.800 -6.226 32.017 1.00 56.20 ? 367 ARG A NH2 1 ATOM 855 N N . GLU A 1 110 ? 18.548 0.568 31.213 1.00 45.10 ? 368 GLU A N 1 ATOM 856 C CA . GLU A 1 110 ? 17.931 1.591 30.414 1.00 51.23 ? 368 GLU A CA 1 ATOM 857 C C . GLU A 1 110 ? 16.464 1.260 30.183 1.00 48.64 ? 368 GLU A C 1 ATOM 858 O O . GLU A 1 110 ? 16.128 0.113 29.886 1.00 50.48 ? 368 GLU A O 1 ATOM 859 C CB . GLU A 1 110 ? 18.650 1.705 29.076 1.00 53.95 ? 368 GLU A CB 1 ATOM 860 C CG . GLU A 1 110 ? 18.189 2.893 28.266 1.00 59.63 ? 368 GLU A CG 1 ATOM 861 C CD . GLU A 1 110 ? 18.876 2.953 26.941 1.00 63.48 ? 368 GLU A CD 1 ATOM 862 O OE1 . GLU A 1 110 ? 19.356 1.901 26.484 1.00 72.64 ? 368 GLU A OE1 1 ATOM 863 O OE2 . GLU A 1 110 ? 18.930 4.051 26.361 1.00 72.20 ? 368 GLU A OE2 1 ATOM 864 N N . PRO A 1 111 ? 15.579 2.252 30.354 1.00 45.56 ? 369 PRO A N 1 ATOM 865 C CA . PRO A 1 111 ? 14.199 1.957 30.002 1.00 46.40 ? 369 PRO A CA 1 ATOM 866 C C . PRO A 1 111 ? 14.012 1.791 28.511 1.00 47.42 ? 369 PRO A C 1 ATOM 867 O O . PRO A 1 111 ? 14.658 2.479 27.740 1.00 55.53 ? 369 PRO A O 1 ATOM 868 C CB . PRO A 1 111 ? 13.426 3.178 30.509 1.00 40.74 ? 369 PRO A CB 1 ATOM 869 C CG . PRO A 1 111 ? 14.429 4.162 30.910 1.00 42.09 ? 369 PRO A CG 1 ATOM 870 C CD . PRO A 1 111 ? 15.671 3.418 31.235 1.00 42.75 ? 369 PRO A CD 1 ATOM 871 N N . GLN A 1 112 ? 13.151 0.865 28.114 1.00 48.14 ? 370 GLN A N 1 ATOM 872 C CA . GLN A 1 112 ? 12.660 0.827 26.749 1.00 45.36 ? 370 GLN A CA 1 ATOM 873 C C . GLN A 1 112 ? 11.322 1.507 26.814 1.00 41.34 ? 370 GLN A C 1 ATOM 874 O O . GLN A 1 112 ? 10.505 1.162 27.643 1.00 44.41 ? 370 GLN A O 1 ATOM 875 C CB . GLN A 1 112 ? 12.474 -0.612 26.271 1.00 50.86 ? 370 GLN A CB 1 ATOM 876 C CG . GLN A 1 112 ? 13.655 -1.554 26.485 1.00 57.32 ? 370 GLN A CG 1 ATOM 877 C CD . GLN A 1 112 ? 13.229 -3.034 26.472 1.00 69.09 ? 370 GLN A CD 1 ATOM 878 O OE1 . GLN A 1 112 ? 12.346 -3.453 25.693 1.00 73.18 ? 370 GLN A OE1 1 ATOM 879 N NE2 . GLN A 1 112 ? 13.857 -3.835 27.335 1.00 72.37 ? 370 GLN A NE2 1 ATOM 880 N N . VAL A 1 113 ? 11.080 2.459 25.937 1.00 40.75 ? 371 VAL A N 1 ATOM 881 C CA . VAL A 1 113 ? 9.844 3.233 25.949 1.00 42.91 ? 371 VAL A CA 1 ATOM 882 C C . VAL A 1 113 ? 9.045 3.056 24.651 1.00 47.22 ? 371 VAL A C 1 ATOM 883 O O . VAL A 1 113 ? 9.493 3.450 23.582 1.00 50.91 ? 371 VAL A O 1 ATOM 884 C CB . VAL A 1 113 ? 10.173 4.723 26.108 1.00 43.88 ? 371 VAL A CB 1 ATOM 885 C CG1 . VAL A 1 113 ? 8.915 5.577 26.095 1.00 44.00 ? 371 VAL A CG1 1 ATOM 886 C CG2 . VAL A 1 113 ? 10.959 4.961 27.398 1.00 45.39 ? 371 VAL A CG2 1 ATOM 887 N N . TYR A 1 114 ? 7.848 2.487 24.756 1.00 49.65 ? 372 TYR A N 1 ATOM 888 C CA . TYR A 1 114 ? 7.004 2.203 23.600 1.00 44.83 ? 372 TYR A CA 1 ATOM 889 C C . TYR A 1 114 ? 5.626 2.825 23.761 1.00 45.92 ? 372 TYR A C 1 ATOM 890 O O . TYR A 1 114 ? 4.971 2.628 24.793 1.00 45.61 ? 372 TYR A O 1 ATOM 891 C CB . TYR A 1 114 ? 6.800 0.719 23.483 1.00 41.31 ? 372 TYR A CB 1 ATOM 892 C CG . TYR A 1 114 ? 8.043 -0.096 23.447 1.00 42.00 ? 372 TYR A CG 1 ATOM 893 C CD1 . TYR A 1 114 ? 8.929 -0.024 22.374 1.00 42.00 ? 372 TYR A CD1 1 ATOM 894 C CD2 . TYR A 1 114 ? 8.310 -0.989 24.454 1.00 41.37 ? 372 TYR A CD2 1 ATOM 895 C CE1 . TYR A 1 114 ? 10.061 -0.822 22.336 1.00 39.48 ? 372 TYR A CE1 1 ATOM 896 C CE2 . TYR A 1 114 ? 9.418 -1.794 24.423 1.00 41.27 ? 372 TYR A CE2 1 ATOM 897 C CZ . TYR A 1 114 ? 10.295 -1.706 23.374 1.00 43.60 ? 372 TYR A CZ 1 ATOM 898 O OH . TYR A 1 114 ? 11.403 -2.527 23.411 1.00 46.11 ? 372 TYR A OH 1 ATOM 899 N N . THR A 1 115 ? 5.183 3.553 22.742 1.00 46.87 ? 373 THR A N 1 ATOM 900 C CA . THR A 1 115 ? 3.876 4.183 22.756 1.00 50.33 ? 373 THR A CA 1 ATOM 901 C C . THR A 1 115 ? 2.867 3.340 21.980 1.00 53.74 ? 373 THR A C 1 ATOM 902 O O . THR A 1 115 ? 3.218 2.698 20.978 1.00 57.92 ? 373 THR A O 1 ATOM 903 C CB . THR A 1 115 ? 3.911 5.581 22.156 1.00 52.33 ? 373 THR A CB 1 ATOM 904 O OG1 . THR A 1 115 ? 4.442 5.512 20.825 1.00 53.86 ? 373 THR A OG1 1 ATOM 905 C CG2 . THR A 1 115 ? 4.741 6.519 23.022 1.00 55.11 ? 373 THR A CG2 1 ATOM 906 N N . LEU A 1 116 ? 1.624 3.338 22.465 1.00 50.94 ? 374 LEU A N 1 ATOM 907 C CA . LEU A 1 116 ? 0.603 2.397 22.012 1.00 52.25 ? 374 LEU A CA 1 ATOM 908 C C . LEU A 1 116 ? -0.710 3.141 21.797 1.00 52.48 ? 374 LEU A C 1 ATOM 909 O O . LEU A 1 116 ? -1.214 3.783 22.721 1.00 50.83 ? 374 LEU A O 1 ATOM 910 C CB . LEU A 1 116 ? 0.379 1.303 23.048 1.00 51.08 ? 374 LEU A CB 1 ATOM 911 C CG . LEU A 1 116 ? 1.544 0.437 23.526 1.00 54.41 ? 374 LEU A CG 1 ATOM 912 C CD1 . LEU A 1 116 ? 1.067 -0.607 24.539 1.00 54.62 ? 374 LEU A CD1 1 ATOM 913 C CD2 . LEU A 1 116 ? 2.222 -0.264 22.363 1.00 55.96 ? 374 LEU A CD2 1 ATOM 914 N N . PRO A 1 117 ? -1.275 3.047 20.579 1.00 51.71 ? 375 PRO A N 1 ATOM 915 C CA . PRO A 1 117 ? -2.498 3.770 20.257 1.00 49.84 ? 375 PRO A CA 1 ATOM 916 C C . PRO A 1 117 ? -3.730 3.094 20.853 1.00 49.05 ? 375 PRO A C 1 ATOM 917 O O . PRO A 1 117 ? -3.644 1.926 21.251 1.00 46.20 ? 375 PRO A O 1 ATOM 918 C CB . PRO A 1 117 ? -2.556 3.678 18.734 1.00 49.65 ? 375 PRO A CB 1 ATOM 919 C CG . PRO A 1 117 ? -1.912 2.361 18.427 1.00 49.34 ? 375 PRO A CG 1 ATOM 920 C CD . PRO A 1 117 ? -0.896 2.101 19.507 1.00 50.29 ? 375 PRO A CD 1 ATOM 921 N N . PRO A 1 118 ? -4.863 3.823 20.907 1.00 49.84 ? 376 PRO A N 1 ATOM 922 C CA . PRO A 1 118 ? -6.156 3.290 21.369 1.00 55.53 ? 376 PRO A CA 1 ATOM 923 C C . PRO A 1 118 ? -6.590 2.042 20.617 1.00 57.55 ? 376 PRO A C 1 ATOM 924 O O . PRO A 1 118 ? -6.424 1.971 19.405 1.00 64.51 ? 376 PRO A O 1 ATOM 925 C CB . PRO A 1 118 ? -7.151 4.426 21.070 1.00 54.86 ? 376 PRO A CB 1 ATOM 926 C CG . PRO A 1 118 ? -6.327 5.657 20.929 1.00 52.99 ? 376 PRO A CG 1 ATOM 927 C CD . PRO A 1 118 ? -4.963 5.229 20.483 1.00 49.37 ? 376 PRO A CD 1 ATOM 928 N N . SER A 1 119 ? -7.110 1.059 21.343 1.00 63.59 ? 377 SER A N 1 ATOM 929 C CA . SER A 1 119 ? -7.866 -0.042 20.749 1.00 62.00 ? 377 SER A CA 1 ATOM 930 C C . SER A 1 119 ? -8.938 0.510 19.830 1.00 58.63 ? 377 SER A C 1 ATOM 931 O O . SER A 1 119 ? -9.560 1.527 20.130 1.00 55.57 ? 377 SER A O 1 ATOM 932 C CB . SER A 1 119 ? -8.534 -0.871 21.851 1.00 66.47 ? 377 SER A CB 1 ATOM 933 O OG . SER A 1 119 ? -9.474 -1.811 21.354 1.00 65.17 ? 377 SER A OG 1 ATOM 934 N N . ARG A 1 120 ? -9.134 -0.163 18.703 1.00 64.37 ? 378 ARG A N 1 ATOM 935 C CA . ARG A 1 120 ? -10.271 0.104 17.805 1.00 67.86 ? 378 ARG A CA 1 ATOM 936 C C . ARG A 1 120 ? -11.566 0.208 18.618 1.00 63.49 ? 378 ARG A C 1 ATOM 937 O O . ARG A 1 120 ? -12.317 1.174 18.462 1.00 57.03 ? 378 ARG A O 1 ATOM 938 C CB . ARG A 1 120 ? -10.384 -1.028 16.782 1.00 73.78 ? 378 ARG A CB 1 ATOM 939 C CG . ARG A 1 120 ? -11.356 -0.798 15.634 1.00 81.11 ? 378 ARG A CG 1 ATOM 940 C CD . ARG A 1 120 ? -11.797 -2.132 15.035 1.00 85.49 ? 378 ARG A CD 1 ATOM 941 N NE . ARG A 1 120 ? -12.112 -2.043 13.608 1.00 92.75 ? 378 ARG A NE 1 ATOM 942 C CZ . ARG A 1 120 ? -13.189 -1.445 13.093 1.00 97.77 ? 378 ARG A CZ 1 ATOM 943 N NH1 . ARG A 1 120 ? -14.087 -0.848 13.879 1.00 100.58 ? 378 ARG A NH1 1 ATOM 944 N NH2 . ARG A 1 120 ? -13.367 -1.440 11.773 1.00 95.26 ? 378 ARG A NH2 1 ATOM 945 N N . GLU A 1 121 ? -11.769 -0.759 19.525 1.00 58.69 ? 379 GLU A N 1 ATOM 946 C CA . GLU A 1 121 ? -12.956 -0.819 20.390 1.00 59.82 ? 379 GLU A CA 1 ATOM 947 C C . GLU A 1 121 ? -13.200 0.458 21.154 1.00 59.55 ? 379 GLU A C 1 ATOM 948 O O . GLU A 1 121 ? -14.351 0.823 21.384 1.00 57.87 ? 379 GLU A O 1 ATOM 949 C CB . GLU A 1 121 ? -12.866 -1.960 21.411 1.00 65.30 ? 379 GLU A CB 1 ATOM 950 C CG . GLU A 1 121 ? -13.221 -3.327 20.872 1.00 69.98 ? 379 GLU A CG 1 ATOM 951 C CD . GLU A 1 121 ? -12.293 -3.752 19.765 1.00 79.06 ? 379 GLU A CD 1 ATOM 952 O OE1 . GLU A 1 121 ? -11.084 -3.894 20.041 1.00 86.00 ? 379 GLU A OE1 1 ATOM 953 O OE2 . GLU A 1 121 ? -12.768 -3.916 18.617 1.00 90.87 ? 379 GLU A OE2 1 ATOM 954 N N . GLU A 1 122 ? -12.130 1.142 21.562 1.00 60.03 ? 380 GLU A N 1 ATOM 955 C CA . GLU A 1 122 ? -12.290 2.357 22.356 1.00 59.37 ? 380 GLU A CA 1 ATOM 956 C C . GLU A 1 122 ? -12.792 3.555 21.551 1.00 61.11 ? 380 GLU A C 1 ATOM 957 O O . GLU A 1 122 ? -13.346 4.497 22.124 1.00 60.68 ? 380 GLU A O 1 ATOM 958 C CB . GLU A 1 122 ? -10.991 2.717 23.076 1.00 58.24 ? 380 GLU A CB 1 ATOM 959 C CG . GLU A 1 122 ? -11.219 3.564 24.325 1.00 57.23 ? 380 GLU A CG 1 ATOM 960 C CD . GLU A 1 122 ? -9.935 3.878 25.085 1.00 60.81 ? 380 GLU A CD 1 ATOM 961 O OE1 . GLU A 1 122 ? -8.835 3.747 24.489 1.00 57.72 ? 380 GLU A OE1 1 ATOM 962 O OE2 . GLU A 1 122 ? -10.031 4.260 26.283 1.00 56.44 ? 380 GLU A OE2 1 ATOM 963 N N . MET A 1 123 ? -12.634 3.506 20.233 1.00 69.48 ? 381 MET A N 1 ATOM 964 C CA . MET A 1 123 ? -12.967 4.646 19.360 1.00 77.64 ? 381 MET A CA 1 ATOM 965 C C . MET A 1 123 ? -14.437 5.041 19.367 1.00 78.87 ? 381 MET A C 1 ATOM 966 O O . MET A 1 123 ? -14.788 6.160 19.003 1.00 87.26 ? 381 MET A O 1 ATOM 967 C CB . MET A 1 123 ? -12.539 4.360 17.916 1.00 79.47 ? 381 MET A CB 1 ATOM 968 C CG . MET A 1 123 ? -11.032 4.186 17.719 1.00 80.95 ? 381 MET A CG 1 ATOM 969 S SD . MET A 1 123 ? -10.021 5.537 18.374 1.00 73.59 ? 381 MET A SD 1 ATOM 970 C CE . MET A 1 123 ? -10.947 6.997 17.912 1.00 76.27 ? 381 MET A CE 1 ATOM 971 N N . THR A 1 124 ? -15.291 4.125 19.793 1.00 77.94 ? 382 THR A N 1 ATOM 972 C CA . THR A 1 124 ? -16.705 4.417 19.955 1.00 77.08 ? 382 THR A CA 1 ATOM 973 C C . THR A 1 124 ? -17.006 5.398 21.102 1.00 77.52 ? 382 THR A C 1 ATOM 974 O O . THR A 1 124 ? -18.148 5.827 21.251 1.00 79.86 ? 382 THR A O 1 ATOM 975 C CB . THR A 1 124 ? -17.478 3.116 20.216 1.00 82.74 ? 382 THR A CB 1 ATOM 976 O OG1 . THR A 1 124 ? -17.030 2.536 21.448 1.00 87.91 ? 382 THR A OG1 1 ATOM 977 C CG2 . THR A 1 124 ? -17.258 2.112 19.071 1.00 80.49 ? 382 THR A CG2 1 ATOM 978 N N . LYS A 1 125 ? -16.003 5.746 21.913 1.00 71.97 ? 383 LYS A N 1 ATOM 979 C CA . LYS A 1 125 ? -16.217 6.614 23.072 1.00 69.19 ? 383 LYS A CA 1 ATOM 980 C C . LYS A 1 125 ? -15.841 8.043 22.755 1.00 66.40 ? 383 LYS A C 1 ATOM 981 O O . LYS A 1 125 ? -15.182 8.300 21.764 1.00 69.23 ? 383 LYS A O 1 ATOM 982 C CB . LYS A 1 125 ? -15.366 6.139 24.248 1.00 74.03 ? 383 LYS A CB 1 ATOM 983 C CG . LYS A 1 125 ? -15.611 4.696 24.668 1.00 75.04 ? 383 LYS A CG 1 ATOM 984 C CD . LYS A 1 125 ? -16.722 4.600 25.693 1.00 73.50 ? 383 LYS A CD 1 ATOM 985 C CE . LYS A 1 125 ? -17.121 3.159 25.916 1.00 76.76 ? 383 LYS A CE 1 ATOM 986 N NZ . LYS A 1 125 ? -17.717 2.983 27.265 1.00 81.24 ? 383 LYS A NZ 1 ATOM 987 N N . ASN A 1 126 ? -16.236 8.966 23.623 1.00 67.43 ? 384 ASN A N 1 ATOM 988 C CA . ASN A 1 126 ? -15.934 10.385 23.431 1.00 73.12 ? 384 ASN A CA 1 ATOM 989 C C . ASN A 1 126 ? -14.491 10.726 23.747 1.00 74.97 ? 384 ASN A C 1 ATOM 990 O O . ASN A 1 126 ? -14.011 11.797 23.373 1.00 79.85 ? 384 ASN A O 1 ATOM 991 C CB . ASN A 1 126 ? -16.845 11.253 24.303 1.00 73.68 ? 384 ASN A CB 1 ATOM 992 C CG . ASN A 1 126 ? -18.275 11.300 23.791 1.00 75.24 ? 384 ASN A CG 1 ATOM 993 O OD1 . ASN A 1 126 ? -18.586 10.771 22.717 1.00 79.81 ? 384 ASN A OD1 1 ATOM 994 N ND2 . ASN A 1 126 ? -19.156 11.943 24.555 1.00 72.97 ? 384 ASN A ND2 1 ATOM 995 N N . GLN A 1 127 ? -13.826 9.830 24.471 1.00 70.43 ? 385 GLN A N 1 ATOM 996 C CA . GLN A 1 127 ? -12.446 10.015 24.867 1.00 66.73 ? 385 GLN A CA 1 ATOM 997 C C . GLN A 1 127 ? -11.706 8.692 24.741 1.00 63.63 ? 385 GLN A C 1 ATOM 998 O O . GLN A 1 127 ? -12.309 7.615 24.856 1.00 56.90 ? 385 GLN A O 1 ATOM 999 C CB . GLN A 1 127 ? -12.379 10.565 26.287 1.00 70.40 ? 385 GLN A CB 1 ATOM 1000 C CG . GLN A 1 127 ? -13.082 11.912 26.432 1.00 74.70 ? 385 GLN A CG 1 ATOM 1001 C CD . GLN A 1 127 ? -12.457 12.809 27.486 1.00 80.96 ? 385 GLN A CD 1 ATOM 1002 O OE1 . GLN A 1 127 ? -12.190 13.992 27.241 1.00 91.47 ? 385 GLN A OE1 1 ATOM 1003 N NE2 . GLN A 1 127 ? -12.218 12.255 28.664 1.00 79.74 ? 385 GLN A NE2 1 ATOM 1004 N N . VAL A 1 128 ? -10.406 8.782 24.464 1.00 59.11 ? 386 VAL A N 1 ATOM 1005 C CA . VAL A 1 128 ? -9.574 7.601 24.238 1.00 57.84 ? 386 VAL A CA 1 ATOM 1006 C C . VAL A 1 128 ? -8.251 7.653 24.978 1.00 53.01 ? 386 VAL A C 1 ATOM 1007 O O . VAL A 1 128 ? -7.818 8.699 25.452 1.00 49.20 ? 386 VAL A O 1 ATOM 1008 C CB . VAL A 1 128 ? -9.269 7.380 22.754 1.00 61.00 ? 386 VAL A CB 1 ATOM 1009 C CG1 . VAL A 1 128 ? -10.553 7.064 22.017 1.00 67.21 ? 386 VAL A CG1 1 ATOM 1010 C CG2 . VAL A 1 128 ? -8.564 8.592 22.162 1.00 63.26 ? 386 VAL A CG2 1 ATOM 1011 N N . SER A 1 129 ? -7.607 6.497 25.017 1.00 50.80 ? 387 SER A N 1 ATOM 1012 C CA . SER A 1 129 ? -6.490 6.256 25.889 1.00 50.98 ? 387 SER A CA 1 ATOM 1013 C C . SER A 1 129 ? -5.208 6.110 25.079 1.00 50.20 ? 387 SER A C 1 ATOM 1014 O O . SER A 1 129 ? -5.060 5.206 24.246 1.00 48.46 ? 387 SER A O 1 ATOM 1015 C CB . SER A 1 129 ? -6.774 5.004 26.729 1.00 49.17 ? 387 SER A CB 1 ATOM 1016 O OG . SER A 1 129 ? -7.905 5.231 27.557 1.00 46.50 ? 387 SER A OG 1 ATOM 1017 N N . LEU A 1 130 ? -4.285 7.025 25.319 1.00 46.78 ? 388 LEU A N 1 ATOM 1018 C CA . LEU A 1 130 ? -2.962 6.908 24.747 1.00 48.04 ? 388 LEU A CA 1 ATOM 1019 C C . LEU A 1 130 ? -2.071 6.319 25.831 1.00 47.49 ? 388 LEU A C 1 ATOM 1020 O O . LEU A 1 130 ? -2.058 6.823 26.978 1.00 42.99 ? 388 LEU A O 1 ATOM 1021 C CB . LEU A 1 130 ? -2.483 8.281 24.276 1.00 51.69 ? 388 LEU A CB 1 ATOM 1022 C CG . LEU A 1 130 ? -2.990 8.810 22.905 1.00 54.71 ? 388 LEU A CG 1 ATOM 1023 C CD1 . LEU A 1 130 ? -4.343 8.265 22.470 1.00 55.75 ? 388 LEU A CD1 1 ATOM 1024 C CD2 . LEU A 1 130 ? -3.039 10.333 22.924 1.00 55.08 ? 388 LEU A CD2 1 ATOM 1025 N N . THR A 1 131 ? -1.361 5.252 25.461 1.00 43.40 ? 389 THR A N 1 ATOM 1026 C CA . THR A 1 131 ? -0.566 4.460 26.384 1.00 46.36 ? 389 THR A CA 1 ATOM 1027 C C . THR A 1 131 ? 0.942 4.593 26.158 1.00 49.23 ? 389 THR A C 1 ATOM 1028 O O . THR A 1 131 ? 1.413 4.574 25.014 1.00 46.71 ? 389 THR A O 1 ATOM 1029 C CB . THR A 1 131 ? -0.956 2.972 26.265 1.00 49.26 ? 389 THR A CB 1 ATOM 1030 O OG1 . THR A 1 131 ? -2.191 2.753 26.951 1.00 56.01 ? 389 THR A OG1 1 ATOM 1031 C CG2 . THR A 1 131 ? 0.073 2.070 26.889 1.00 50.12 ? 389 THR A CG2 1 ATOM 1032 N N . CYS A 1 132 ? 1.693 4.710 27.256 1.00 47.48 ? 390 CYS A N 1 ATOM 1033 C CA . CYS A 1 132 ? 3.152 4.673 27.204 1.00 44.43 ? 390 CYS A CA 1 ATOM 1034 C C . CYS A 1 132 ? 3.643 3.519 28.033 1.00 41.71 ? 390 CYS A C 1 ATOM 1035 O O . CYS A 1 132 ? 3.451 3.499 29.241 1.00 44.73 ? 390 CYS A O 1 ATOM 1036 C CB . CYS A 1 132 ? 3.742 5.958 27.758 1.00 45.66 ? 390 CYS A CB 1 ATOM 1037 S SG . CYS A 1 132 ? 5.475 6.184 27.326 1.00 50.01 ? 390 CYS A SG 1 ATOM 1038 N N . LEU A 1 133 ? 4.252 2.534 27.392 1.00 38.75 ? 391 LEU A N 1 ATOM 1039 C CA . LEU A 1 133 ? 4.812 1.423 28.121 1.00 38.63 ? 391 LEU A CA 1 ATOM 1040 C C . LEU A 1 133 ? 6.274 1.678 28.282 1.00 40.67 ? 391 LEU A C 1 ATOM 1041 O O . LEU A 1 133 ? 6.977 1.885 27.297 1.00 47.71 ? 391 LEU A O 1 ATOM 1042 C CB . LEU A 1 133 ? 4.645 0.117 27.373 1.00 35.85 ? 391 LEU A CB 1 ATOM 1043 C CG . LEU A 1 133 ? 5.454 -1.028 27.930 1.00 34.56 ? 391 LEU A CG 1 ATOM 1044 C CD1 . LEU A 1 133 ? 5.033 -1.324 29.354 1.00 34.18 ? 391 LEU A CD1 1 ATOM 1045 C CD2 . LEU A 1 133 ? 5.261 -2.265 27.064 1.00 40.36 ? 391 LEU A CD2 1 ATOM 1046 N N . VAL A 1 134 ? 6.733 1.620 29.521 1.00 39.35 ? 392 VAL A N 1 ATOM 1047 C CA . VAL A 1 134 ? 8.121 1.833 29.839 1.00 37.41 ? 392 VAL A CA 1 ATOM 1048 C C . VAL A 1 134 ? 8.556 0.622 30.590 1.00 37.55 ? 392 VAL A C 1 ATOM 1049 O O . VAL A 1 134 ? 8.004 0.332 31.650 1.00 40.93 ? 392 VAL A O 1 ATOM 1050 C CB . VAL A 1 134 ? 8.258 3.024 30.777 1.00 38.73 ? 392 VAL A CB 1 ATOM 1051 C CG1 . VAL A 1 134 ? 9.715 3.371 30.997 1.00 40.56 ? 392 VAL A CG1 1 ATOM 1052 C CG2 . VAL A 1 134 ? 7.447 4.189 30.248 1.00 40.04 ? 392 VAL A CG2 1 ATOM 1053 N N . LYS A 1 135 ? 9.540 -0.090 30.083 1.00 37.62 ? 393 LYS A N 1 ATOM 1054 C CA . LYS A 1 135 ? 9.944 -1.316 30.729 1.00 40.30 ? 393 LYS A CA 1 ATOM 1055 C C . LYS A 1 135 ? 11.458 -1.510 30.780 1.00 39.42 ? 393 LYS A C 1 ATOM 1056 O O . LYS A 1 135 ? 12.212 -0.812 30.122 1.00 39.51 ? 393 LYS A O 1 ATOM 1057 C CB . LYS A 1 135 ? 9.288 -2.489 30.005 1.00 42.63 ? 393 LYS A CB 1 ATOM 1058 C CG . LYS A 1 135 ? 9.687 -2.630 28.546 1.00 43.38 ? 393 LYS A CG 1 ATOM 1059 C CD . LYS A 1 135 ? 9.316 -4.004 27.964 1.00 43.90 ? 393 LYS A CD 1 ATOM 1060 C CE . LYS A 1 135 ? 10.046 -5.115 28.697 1.00 47.34 ? 393 LYS A CE 1 ATOM 1061 N NZ . LYS A 1 135 ? 10.199 -6.371 27.928 1.00 46.14 ? 393 LYS A NZ 1 ATOM 1062 N N . GLY A 1 136 ? 11.899 -2.475 31.559 1.00 38.94 ? 394 GLY A N 1 ATOM 1063 C CA . GLY A 1 136 ? 13.312 -2.839 31.544 1.00 40.99 ? 394 GLY A CA 1 ATOM 1064 C C . GLY A 1 136 ? 14.216 -1.914 32.338 1.00 40.40 ? 394 GLY A C 1 ATOM 1065 O O . GLY A 1 136 ? 15.438 -2.011 32.259 1.00 42.37 ? 394 GLY A O 1 ATOM 1066 N N . PHE A 1 137 ? 13.630 -1.054 33.160 1.00 38.92 ? 395 PHE A N 1 ATOM 1067 C CA . PHE A 1 137 ? 14.451 -0.130 33.914 1.00 38.05 ? 395 PHE A CA 1 ATOM 1068 C C . PHE A 1 137 ? 14.809 -0.580 35.332 1.00 36.97 ? 395 PHE A C 1 ATOM 1069 O O . PHE A 1 137 ? 14.110 -1.373 35.959 1.00 39.37 ? 395 PHE A O 1 ATOM 1070 C CB . PHE A 1 137 ? 13.864 1.271 33.888 1.00 36.19 ? 395 PHE A CB 1 ATOM 1071 C CG . PHE A 1 137 ? 12.513 1.391 34.484 1.00 35.22 ? 395 PHE A CG 1 ATOM 1072 C CD1 . PHE A 1 137 ? 11.381 1.227 33.700 1.00 35.92 ? 395 PHE A CD1 1 ATOM 1073 C CD2 . PHE A 1 137 ? 12.362 1.755 35.808 1.00 33.92 ? 395 PHE A CD2 1 ATOM 1074 C CE1 . PHE A 1 137 ? 10.114 1.376 34.246 1.00 35.63 ? 395 PHE A CE1 1 ATOM 1075 C CE2 . PHE A 1 137 ? 11.107 1.926 36.349 1.00 35.87 ? 395 PHE A CE2 1 ATOM 1076 C CZ . PHE A 1 137 ? 9.975 1.730 35.571 1.00 34.69 ? 395 PHE A CZ 1 ATOM 1077 N N . TYR A 1 138 ? 15.964 -0.120 35.782 1.00 36.42 ? 396 TYR A N 1 ATOM 1078 C CA . TYR A 1 138 ? 16.420 -0.304 37.155 1.00 34.49 ? 396 TYR A CA 1 ATOM 1079 C C . TYR A 1 138 ? 17.367 0.881 37.456 1.00 36.35 ? 396 TYR A C 1 ATOM 1080 O O . TYR A 1 138 ? 18.157 1.269 36.603 1.00 33.99 ? 396 TYR A O 1 ATOM 1081 C CB . TYR A 1 138 ? 17.154 -1.634 37.341 1.00 33.32 ? 396 TYR A CB 1 ATOM 1082 C CG . TYR A 1 138 ? 17.371 -1.937 38.801 1.00 32.76 ? 396 TYR A CG 1 ATOM 1083 C CD1 . TYR A 1 138 ? 18.436 -1.384 39.505 1.00 33.94 ? 396 TYR A CD1 1 ATOM 1084 C CD2 . TYR A 1 138 ? 16.467 -2.711 39.494 1.00 34.11 ? 396 TYR A CD2 1 ATOM 1085 C CE1 . TYR A 1 138 ? 18.603 -1.628 40.854 1.00 35.43 ? 396 TYR A CE1 1 ATOM 1086 C CE2 . TYR A 1 138 ? 16.624 -2.960 40.846 1.00 35.73 ? 396 TYR A CE2 1 ATOM 1087 C CZ . TYR A 1 138 ? 17.696 -2.425 41.520 1.00 35.75 ? 396 TYR A CZ 1 ATOM 1088 O OH . TYR A 1 138 ? 17.808 -2.667 42.873 1.00 38.12 ? 396 TYR A OH 1 ATOM 1089 N N . PRO A 1 139 ? 17.264 1.495 38.644 1.00 37.42 ? 397 PRO A N 1 ATOM 1090 C CA . PRO A 1 139 ? 16.291 1.233 39.683 1.00 39.09 ? 397 PRO A CA 1 ATOM 1091 C C . PRO A 1 139 ? 14.935 1.821 39.275 1.00 39.06 ? 397 PRO A C 1 ATOM 1092 O O . PRO A 1 139 ? 14.782 2.231 38.120 1.00 39.36 ? 397 PRO A O 1 ATOM 1093 C CB . PRO A 1 139 ? 16.902 1.903 40.909 1.00 39.30 ? 397 PRO A CB 1 ATOM 1094 C CG . PRO A 1 139 ? 17.760 2.995 40.365 1.00 39.08 ? 397 PRO A CG 1 ATOM 1095 C CD . PRO A 1 139 ? 18.196 2.579 39.008 1.00 36.70 ? 397 PRO A CD 1 ATOM 1096 N N . SER A 1 140 ? 13.973 1.825 40.200 1.00 38.74 ? 398 SER A N 1 ATOM 1097 C CA . SER A 1 140 ? 12.583 2.129 39.873 1.00 39.30 ? 398 SER A CA 1 ATOM 1098 C C . SER A 1 140 ? 12.255 3.592 39.870 1.00 39.04 ? 398 SER A C 1 ATOM 1099 O O . SER A 1 140 ? 11.177 3.971 39.422 1.00 41.12 ? 398 SER A O 1 ATOM 1100 C CB . SER A 1 140 ? 11.641 1.409 40.830 1.00 42.86 ? 398 SER A CB 1 ATOM 1101 O OG . SER A 1 140 ? 11.773 1.882 42.149 1.00 40.67 ? 398 SER A OG 1 ATOM 1102 N N . ASP A 1 141 ? 13.192 4.411 40.342 1.00 39.20 ? 399 ASP A N 1 ATOM 1103 C CA . ASP A 1 141 ? 13.070 5.863 40.288 1.00 38.81 ? 399 ASP A CA 1 ATOM 1104 C C . ASP A 1 141 ? 12.985 6.327 38.865 1.00 37.08 ? 399 ASP A C 1 ATOM 1105 O O . ASP A 1 141 ? 13.918 6.138 38.109 1.00 37.37 ? 399 ASP A O 1 ATOM 1106 C CB . ASP A 1 141 ? 14.316 6.541 40.887 1.00 41.49 ? 399 ASP A CB 1 ATOM 1107 C CG . ASP A 1 141 ? 14.604 6.093 42.276 1.00 46.73 ? 399 ASP A CG 1 ATOM 1108 O OD1 . ASP A 1 141 ? 13.643 6.000 43.089 1.00 49.30 ? 399 ASP A OD1 1 ATOM 1109 O OD2 . ASP A 1 141 ? 15.798 5.830 42.547 1.00 55.70 ? 399 ASP A OD2 1 ATOM 1110 N N . ILE A 1 142 ? 11.901 6.996 38.519 1.00 35.76 ? 400 ILE A N 1 ATOM 1111 C CA . ILE A 1 142 ? 11.647 7.386 37.136 1.00 34.15 ? 400 ILE A CA 1 ATOM 1112 C C . ILE A 1 142 ? 10.585 8.467 37.118 1.00 32.77 ? 400 ILE A C 1 ATOM 1113 O O . ILE A 1 142 ? 9.814 8.602 38.046 1.00 32.47 ? 400 ILE A O 1 ATOM 1114 C CB . ILE A 1 142 ? 11.142 6.181 36.331 1.00 36.21 ? 400 ILE A CB 1 ATOM 1115 C CG1 . ILE A 1 142 ? 11.097 6.470 34.838 1.00 35.13 ? 400 ILE A CG1 1 ATOM 1116 C CG2 . ILE A 1 142 ? 9.753 5.748 36.809 1.00 37.77 ? 400 ILE A CG2 1 ATOM 1117 C CD1 . ILE A 1 142 ? 11.219 5.202 34.020 1.00 38.62 ? 400 ILE A CD1 1 ATOM 1118 N N . ALA A 1 143 ? 10.567 9.285 36.086 1.00 35.36 ? 401 ALA A N 1 ATOM 1119 C CA . ALA A 1 143 ? 9.483 10.252 35.944 1.00 35.28 ? 401 ALA A CA 1 ATOM 1120 C C . ALA A 1 143 ? 8.945 10.163 34.532 1.00 36.09 ? 401 ALA A C 1 ATOM 1121 O O . ALA A 1 143 ? 9.702 9.922 33.574 1.00 36.26 ? 401 ALA A O 1 ATOM 1122 C CB . ALA A 1 143 ? 9.963 11.641 36.243 1.00 35.18 ? 401 ALA A CB 1 ATOM 1123 N N . VAL A 1 144 ? 7.638 10.334 34.416 1.00 35.93 ? 402 VAL A N 1 ATOM 1124 C CA . VAL A 1 144 ? 6.950 10.204 33.137 1.00 40.00 ? 402 VAL A CA 1 ATOM 1125 C C . VAL A 1 144 ? 5.996 11.364 32.975 1.00 39.34 ? 402 VAL A C 1 ATOM 1126 O O . VAL A 1 144 ? 5.380 11.802 33.940 1.00 37.55 ? 402 VAL A O 1 ATOM 1127 C CB . VAL A 1 144 ? 6.163 8.891 33.054 1.00 40.96 ? 402 VAL A CB 1 ATOM 1128 C CG1 . VAL A 1 144 ? 5.570 8.709 31.654 1.00 42.36 ? 402 VAL A CG1 1 ATOM 1129 C CG2 . VAL A 1 144 ? 7.070 7.727 33.415 1.00 40.96 ? 402 VAL A CG2 1 ATOM 1130 N N . GLU A 1 145 ? 5.915 11.884 31.760 1.00 40.95 ? 403 GLU A N 1 ATOM 1131 C CA . GLU A 1 145 ? 5.099 13.070 31.478 1.00 45.36 ? 403 GLU A CA 1 ATOM 1132 C C . GLU A 1 145 ? 4.636 12.996 30.051 1.00 43.33 ? 403 GLU A C 1 ATOM 1133 O O . GLU A 1 145 ? 5.292 12.386 29.228 1.00 43.08 ? 403 GLU A O 1 ATOM 1134 C CB . GLU A 1 145 ? 5.908 14.366 31.694 1.00 50.33 ? 403 GLU A CB 1 ATOM 1135 C CG . GLU A 1 145 ? 6.237 14.662 33.159 1.00 58.89 ? 403 GLU A CG 1 ATOM 1136 C CD . GLU A 1 145 ? 7.100 15.901 33.371 1.00 66.92 ? 403 GLU A CD 1 ATOM 1137 O OE1 . GLU A 1 145 ? 7.578 16.486 32.374 1.00 72.25 ? 403 GLU A OE1 1 ATOM 1138 O OE2 . GLU A 1 145 ? 7.307 16.286 34.549 1.00 72.42 ? 403 GLU A OE2 1 ATOM 1139 N N . TRP A 1 146 ? 3.513 13.636 29.753 1.00 48.19 ? 404 TRP A N 1 ATOM 1140 C CA . TRP A 1 146 ? 3.002 13.698 28.384 1.00 45.83 ? 404 TRP A CA 1 ATOM 1141 C C . TRP A 1 146 ? 2.889 15.138 27.943 1.00 45.17 ? 404 TRP A C 1 ATOM 1142 O O . TRP A 1 146 ? 2.555 16.016 28.728 1.00 51.00 ? 404 TRP A O 1 ATOM 1143 C CB . TRP A 1 146 ? 1.606 13.084 28.287 1.00 43.65 ? 404 TRP A CB 1 ATOM 1144 C CG . TRP A 1 146 ? 1.532 11.639 28.385 1.00 43.50 ? 404 TRP A CG 1 ATOM 1145 C CD1 . TRP A 1 146 ? 1.418 10.899 29.529 1.00 44.96 ? 404 TRP A CD1 1 ATOM 1146 C CD2 . TRP A 1 146 ? 1.481 10.713 27.301 1.00 43.13 ? 404 TRP A CD2 1 ATOM 1147 N NE1 . TRP A 1 146 ? 1.318 9.559 29.217 1.00 44.28 ? 404 TRP A NE1 1 ATOM 1148 C CE2 . TRP A 1 146 ? 1.345 9.423 27.856 1.00 42.71 ? 404 TRP A CE2 1 ATOM 1149 C CE3 . TRP A 1 146 ? 1.528 10.848 25.916 1.00 46.05 ? 404 TRP A CE3 1 ATOM 1150 C CZ2 . TRP A 1 146 ? 1.274 8.281 27.074 1.00 47.75 ? 404 TRP A CZ2 1 ATOM 1151 C CZ3 . TRP A 1 146 ? 1.465 9.710 25.129 1.00 44.59 ? 404 TRP A CZ3 1 ATOM 1152 C CH2 . TRP A 1 146 ? 1.341 8.443 25.710 1.00 48.24 ? 404 TRP A CH2 1 ATOM 1153 N N . GLU A 1 147 ? 3.120 15.353 26.659 1.00 48.44 ? 405 GLU A N 1 ATOM 1154 C CA . GLU A 1 147 ? 2.994 16.659 26.042 1.00 50.97 ? 405 GLU A CA 1 ATOM 1155 C C . GLU A 1 147 ? 2.413 16.491 24.670 1.00 50.70 ? 405 GLU A C 1 ATOM 1156 O O . GLU A 1 147 ? 2.566 15.429 24.044 1.00 53.69 ? 405 GLU A O 1 ATOM 1157 C CB . GLU A 1 147 ? 4.363 17.275 25.828 1.00 52.19 ? 405 GLU A CB 1 ATOM 1158 C CG . GLU A 1 147 ? 5.065 17.745 27.071 1.00 61.09 ? 405 GLU A CG 1 ATOM 1159 C CD . GLU A 1 147 ? 6.417 18.347 26.728 1.00 68.15 ? 405 GLU A CD 1 ATOM 1160 O OE1 . GLU A 1 147 ? 6.526 18.970 25.643 1.00 64.87 ? 405 GLU A OE1 1 ATOM 1161 O OE2 . GLU A 1 147 ? 7.364 18.184 27.530 1.00 64.94 ? 405 GLU A OE2 1 ATOM 1162 N N . SER A 1 148 ? 1.799 17.560 24.187 1.00 52.24 ? 406 SER A N 1 ATOM 1163 C CA . SER A 1 148 ? 1.475 17.696 22.768 1.00 55.83 ? 406 SER A CA 1 ATOM 1164 C C . SER A 1 148 ? 1.716 19.145 22.336 1.00 57.20 ? 406 SER A C 1 ATOM 1165 O O . SER A 1 148 ? 1.320 20.074 23.045 1.00 54.29 ? 406 SER A O 1 ATOM 1166 C CB . SER A 1 148 ? 0.022 17.307 22.515 1.00 55.36 ? 406 SER A CB 1 ATOM 1167 O OG . SER A 1 148 ? -0.163 17.002 21.149 1.00 54.60 ? 406 SER A OG 1 ATOM 1168 N N . ASN A 1 149 ? 2.379 19.323 21.191 1.00 59.07 ? 407 ASN A N 1 ATOM 1169 C CA . ASN A 1 149 ? 2.690 20.663 20.643 1.00 63.99 ? 407 ASN A CA 1 ATOM 1170 C C . ASN A 1 149 ? 3.419 21.576 21.613 1.00 62.72 ? 407 ASN A C 1 ATOM 1171 O O . ASN A 1 149 ? 3.084 22.763 21.738 1.00 61.48 ? 407 ASN A O 1 ATOM 1172 C CB . ASN A 1 149 ? 1.412 21.375 20.160 1.00 63.43 ? 407 ASN A CB 1 ATOM 1173 C CG . ASN A 1 149 ? 0.671 20.590 19.092 1.00 61.90 ? 407 ASN A CG 1 ATOM 1174 O OD1 . ASN A 1 149 ? 1.279 19.907 18.252 1.00 63.78 ? 407 ASN A OD1 1 ATOM 1175 N ND2 . ASN A 1 149 ? -0.653 20.685 19.113 1.00 59.61 ? 407 ASN A ND2 1 ATOM 1176 N N . GLY A 1 150 ? 4.402 21.013 22.310 1.00 67.26 ? 408 GLY A N 1 ATOM 1177 C CA . GLY A 1 150 ? 5.193 21.778 23.265 1.00 67.32 ? 408 GLY A CA 1 ATOM 1178 C C . GLY A 1 150 ? 4.553 21.951 24.627 1.00 69.13 ? 408 GLY A C 1 ATOM 1179 O O . GLY A 1 150 ? 5.251 22.305 25.579 1.00 73.10 ? 408 GLY A O 1 ATOM 1180 N N . GLN A 1 151 ? 3.249 21.679 24.747 1.00 71.60 ? 409 GLN A N 1 ATOM 1181 C CA . GLN A 1 151 ? 2.518 21.927 26.004 1.00 75.06 ? 409 GLN A CA 1 ATOM 1182 C C . GLN A 1 151 ? 2.210 20.661 26.815 1.00 67.11 ? 409 GLN A C 1 ATOM 1183 O O . GLN A 1 151 ? 1.988 19.589 26.239 1.00 64.17 ? 409 GLN A O 1 ATOM 1184 C CB . GLN A 1 151 ? 1.203 22.680 25.734 1.00 79.81 ? 409 GLN A CB 1 ATOM 1185 C CG . GLN A 1 151 ? 1.343 23.945 24.886 1.00 85.04 ? 409 GLN A CG 1 ATOM 1186 C CD . GLN A 1 151 ? 2.366 24.947 25.431 1.00 89.90 ? 409 GLN A CD 1 ATOM 1187 O OE1 . GLN A 1 151 ? 2.826 24.857 26.582 1.00 79.44 ? 409 GLN A OE1 1 ATOM 1188 N NE2 . GLN A 1 151 ? 2.727 25.917 24.593 1.00 94.40 ? 409 GLN A NE2 1 ATOM 1189 N N . PRO A 1 152 ? 2.194 20.788 28.156 1.00 62.19 ? 410 PRO A N 1 ATOM 1190 C CA . PRO A 1 152 ? 1.800 19.680 29.042 1.00 63.34 ? 410 PRO A CA 1 ATOM 1191 C C . PRO A 1 152 ? 0.356 19.218 28.868 1.00 59.61 ? 410 PRO A C 1 ATOM 1192 O O . PRO A 1 152 ? -0.566 20.011 29.020 1.00 65.03 ? 410 PRO A O 1 ATOM 1193 C CB . PRO A 1 152 ? 1.988 20.265 30.453 1.00 58.49 ? 410 PRO A CB 1 ATOM 1194 C CG . PRO A 1 152 ? 3.001 21.329 30.287 1.00 61.86 ? 410 PRO A CG 1 ATOM 1195 C CD . PRO A 1 152 ? 2.799 21.901 28.912 1.00 62.53 ? 410 PRO A CD 1 ATOM 1196 N N . GLU A 1 153 ? 0.160 17.947 28.548 1.00 59.84 ? 411 GLU A N 1 ATOM 1197 C CA . GLU A 1 153 ? -1.161 17.327 28.688 1.00 59.69 ? 411 GLU A CA 1 ATOM 1198 C C . GLU A 1 153 ? -1.364 17.050 30.156 1.00 63.90 ? 411 GLU A C 1 ATOM 1199 O O . GLU A 1 153 ? -0.497 16.477 30.793 1.00 76.03 ? 411 GLU A O 1 ATOM 1200 C CB . GLU A 1 153 ? -1.228 16.030 27.900 1.00 60.85 ? 411 GLU A CB 1 ATOM 1201 C CG . GLU A 1 153 ? -1.182 16.246 26.399 1.00 63.82 ? 411 GLU A CG 1 ATOM 1202 C CD . GLU A 1 153 ? -2.209 17.267 25.947 1.00 68.74 ? 411 GLU A CD 1 ATOM 1203 O OE1 . GLU A 1 153 ? -3.379 17.152 26.371 1.00 68.30 ? 411 GLU A OE1 1 ATOM 1204 O OE2 . GLU A 1 153 ? -1.849 18.195 25.186 1.00 77.83 ? 411 GLU A OE2 1 ATOM 1205 N N . ASN A 1 154 ? -2.477 17.481 30.719 1.00 66.67 ? 412 ASN A N 1 ATOM 1206 C CA . ASN A 1 154 ? -2.662 17.349 32.163 1.00 75.06 ? 412 ASN A CA 1 ATOM 1207 C C . ASN A 1 154 ? -3.479 16.140 32.596 1.00 68.20 ? 412 ASN A C 1 ATOM 1208 O O . ASN A 1 154 ? -3.330 15.683 33.731 1.00 71.18 ? 412 ASN A O 1 ATOM 1209 C CB . ASN A 1 154 ? -3.262 18.631 32.744 1.00 84.14 ? 412 ASN A CB 1 ATOM 1210 C CG . ASN A 1 154 ? -2.221 19.717 32.939 1.00 92.77 ? 412 ASN A CG 1 ATOM 1211 O OD1 . ASN A 1 154 ? -1.078 19.442 33.328 1.00 99.93 ? 412 ASN A OD1 1 ATOM 1212 N ND2 . ASN A 1 154 ? -2.608 20.959 32.675 1.00 98.48 ? 412 ASN A ND2 1 ATOM 1213 N N . ASN A 1 155 ? -4.304 15.613 31.695 1.00 59.45 ? 413 ASN A N 1 ATOM 1214 C CA . ASN A 1 155 ? -5.163 14.484 32.009 1.00 56.68 ? 413 ASN A CA 1 ATOM 1215 C C . ASN A 1 155 ? -4.502 13.108 31.795 1.00 50.06 ? 413 ASN A C 1 ATOM 1216 O O . ASN A 1 155 ? -4.843 12.367 30.863 1.00 46.35 ? 413 ASN A O 1 ATOM 1217 C CB . ASN A 1 155 ? -6.427 14.599 31.181 1.00 61.56 ? 413 ASN A CB 1 ATOM 1218 C CG . ASN A 1 155 ? -7.499 13.643 31.628 1.00 64.25 ? 413 ASN A CG 1 ATOM 1219 O OD1 . ASN A 1 155 ? -7.522 13.195 32.774 1.00 62.49 ? 413 ASN A OD1 1 ATOM 1220 N ND2 . ASN A 1 155 ? -8.397 13.322 30.722 1.00 69.55 ? 413 ASN A ND2 1 ATOM 1221 N N . TYR A 1 156 ? -3.547 12.764 32.658 1.00 45.57 ? 414 TYR A N 1 ATOM 1222 C CA . TYR A 1 156 ? -2.871 11.465 32.545 1.00 44.36 ? 414 TYR A CA 1 ATOM 1223 C C . TYR A 1 156 ? -2.639 10.867 33.895 1.00 41.66 ? 414 TYR A C 1 ATOM 1224 O O . TYR A 1 156 ? -2.673 11.563 34.888 1.00 42.04 ? 414 TYR A O 1 ATOM 1225 C CB . TYR A 1 156 ? -1.559 11.557 31.765 1.00 43.36 ? 414 TYR A CB 1 ATOM 1226 C CG . TYR A 1 156 ? -0.423 12.334 32.421 1.00 49.36 ? 414 TYR A CG 1 ATOM 1227 C CD1 . TYR A 1 156 ? 0.468 11.711 33.284 1.00 49.51 ? 414 TYR A CD1 1 ATOM 1228 C CD2 . TYR A 1 156 ? -0.191 13.676 32.106 1.00 51.83 ? 414 TYR A CD2 1 ATOM 1229 C CE1 . TYR A 1 156 ? 1.505 12.411 33.863 1.00 51.93 ? 414 TYR A CE1 1 ATOM 1230 C CE2 . TYR A 1 156 ? 0.842 14.386 32.694 1.00 49.76 ? 414 TYR A CE2 1 ATOM 1231 C CZ . TYR A 1 156 ? 1.688 13.746 33.564 1.00 55.00 ? 414 TYR A CZ 1 ATOM 1232 O OH . TYR A 1 156 ? 2.737 14.430 34.132 1.00 58.27 ? 414 TYR A OH 1 ATOM 1233 N N . LYS A 1 157 ? -2.456 9.555 33.931 1.00 40.07 ? 415 LYS A N 1 ATOM 1234 C CA . LYS A 1 157 ? -2.079 8.868 35.164 1.00 37.45 ? 415 LYS A CA 1 ATOM 1235 C C . LYS A 1 157 ? -1.073 7.826 34.794 1.00 37.36 ? 415 LYS A C 1 ATOM 1236 O O . LYS A 1 157 ? -1.154 7.227 33.714 1.00 36.88 ? 415 LYS A O 1 ATOM 1237 C CB . LYS A 1 157 ? -3.250 8.150 35.800 1.00 38.82 ? 415 LYS A CB 1 ATOM 1238 C CG . LYS A 1 157 ? -4.407 9.032 36.166 1.00 39.45 ? 415 LYS A CG 1 ATOM 1239 C CD . LYS A 1 157 ? -4.091 9.805 37.418 1.00 38.88 ? 415 LYS A CD 1 ATOM 1240 C CE . LYS A 1 157 ? -5.167 10.852 37.648 1.00 40.04 ? 415 LYS A CE 1 ATOM 1241 N NZ . LYS A 1 157 ? -5.157 11.283 39.064 1.00 41.17 ? 415 LYS A NZ 1 ATOM 1242 N N . THR A 1 158 ? -0.153 7.599 35.721 1.00 34.55 ? 416 THR A N 1 ATOM 1243 C CA . THR A 1 158 ? 0.934 6.673 35.553 1.00 34.24 ? 416 THR A CA 1 ATOM 1244 C C . THR A 1 158 ? 0.828 5.651 36.673 1.00 32.14 ? 416 THR A C 1 ATOM 1245 O O . THR A 1 158 ? 0.503 6.000 37.798 1.00 34.72 ? 416 THR A O 1 ATOM 1246 C CB . THR A 1 158 ? 2.280 7.451 35.564 1.00 35.29 ? 416 THR A CB 1 ATOM 1247 O OG1 . THR A 1 158 ? 2.278 8.386 34.470 1.00 38.27 ? 416 THR A OG1 1 ATOM 1248 C CG2 . THR A 1 158 ? 3.470 6.531 35.388 1.00 34.15 ? 416 THR A CG2 1 ATOM 1249 N N . THR A 1 159 ? 1.062 4.382 36.363 1.00 31.96 ? 417 THR A N 1 ATOM 1250 C CA . THR A 1 159 ? 1.023 3.324 37.379 1.00 32.21 ? 417 THR A CA 1 ATOM 1251 C C . THR A 1 159 ? 2.294 3.415 38.177 1.00 31.75 ? 417 THR A C 1 ATOM 1252 O O . THR A 1 159 ? 3.282 3.902 37.646 1.00 31.92 ? 417 THR A O 1 ATOM 1253 C CB . THR A 1 159 ? 0.968 1.897 36.756 1.00 32.83 ? 417 THR A CB 1 ATOM 1254 O OG1 . THR A 1 159 ? 2.187 1.594 36.067 1.00 32.22 ? 417 THR A OG1 1 ATOM 1255 C CG2 . THR A 1 159 ? -0.163 1.760 35.772 1.00 32.05 ? 417 THR A CG2 1 ATOM 1256 N N . PRO A 1 160 ? 2.284 2.932 39.435 1.00 32.89 ? 418 PRO A N 1 ATOM 1257 C CA . PRO A 1 160 ? 3.555 2.724 40.121 1.00 33.11 ? 418 PRO A CA 1 ATOM 1258 C C . PRO A 1 160 ? 4.422 1.765 39.329 1.00 33.33 ? 418 PRO A C 1 ATOM 1259 O O . PRO A 1 160 ? 3.900 0.966 38.543 1.00 33.22 ? 418 PRO A O 1 ATOM 1260 C CB . PRO A 1 160 ? 3.163 2.040 41.444 1.00 32.40 ? 418 PRO A CB 1 ATOM 1261 C CG . PRO A 1 160 ? 1.728 2.304 41.641 1.00 34.32 ? 418 PRO A CG 1 ATOM 1262 C CD . PRO A 1 160 ? 1.147 2.443 40.242 1.00 36.17 ? 418 PRO A CD 1 ATOM 1263 N N . PRO A 1 161 ? 5.732 1.820 39.537 1.00 31.74 ? 419 PRO A N 1 ATOM 1264 C CA . PRO A 1 161 ? 6.584 0.794 38.945 1.00 30.79 ? 419 PRO A CA 1 ATOM 1265 C C . PRO A 1 161 ? 6.238 -0.603 39.474 1.00 31.60 ? 419 PRO A C 1 ATOM 1266 O O . PRO A 1 161 ? 5.845 -0.757 40.631 1.00 31.56 ? 419 PRO A O 1 ATOM 1267 C CB . PRO A 1 161 ? 8.011 1.220 39.352 1.00 32.26 ? 419 PRO A CB 1 ATOM 1268 C CG . PRO A 1 161 ? 7.915 2.597 39.900 1.00 32.20 ? 419 PRO A CG 1 ATOM 1269 C CD . PRO A 1 161 ? 6.487 2.803 40.333 1.00 33.33 ? 419 PRO A CD 1 ATOM 1270 N N . VAL A 1 162 ? 6.360 -1.613 38.612 1.00 31.62 ? 420 VAL A N 1 ATOM 1271 C CA . VAL A 1 162 ? 6.050 -2.987 38.982 1.00 30.62 ? 420 VAL A CA 1 ATOM 1272 C C . VAL A 1 162 ? 7.281 -3.820 38.672 1.00 32.10 ? 420 VAL A C 1 ATOM 1273 O O . VAL A 1 162 ? 7.858 -3.701 37.598 1.00 32.19 ? 420 VAL A O 1 ATOM 1274 C CB . VAL A 1 162 ? 4.845 -3.565 38.177 1.00 30.07 ? 420 VAL A CB 1 ATOM 1275 C CG1 . VAL A 1 162 ? 4.599 -5.023 38.542 1.00 29.30 ? 420 VAL A CG1 1 ATOM 1276 C CG2 . VAL A 1 162 ? 3.565 -2.762 38.430 1.00 31.02 ? 420 VAL A CG2 1 ATOM 1277 N N . LEU A 1 163 ? 7.661 -4.674 39.608 1.00 33.40 ? 421 LEU A N 1 ATOM 1278 C CA . LEU A 1 163 ? 8.818 -5.547 39.444 1.00 38.00 ? 421 LEU A CA 1 ATOM 1279 C C . LEU A 1 163 ? 8.509 -6.661 38.457 1.00 37.47 ? 421 LEU A C 1 ATOM 1280 O O . LEU A 1 163 ? 7.554 -7.422 38.649 1.00 38.74 ? 421 LEU A O 1 ATOM 1281 C CB . LEU A 1 163 ? 9.199 -6.161 40.791 1.00 39.67 ? 421 LEU A CB 1 ATOM 1282 C CG . LEU A 1 163 ? 10.494 -6.992 40.834 1.00 42.72 ? 421 LEU A CG 1 ATOM 1283 C CD1 . LEU A 1 163 ? 11.724 -6.143 40.523 1.00 40.78 ? 421 LEU A CD1 1 ATOM 1284 C CD2 . LEU A 1 163 ? 10.614 -7.627 42.217 1.00 41.63 ? 421 LEU A CD2 1 ATOM 1285 N N . ASP A 1 164 ? 9.289 -6.725 37.384 1.00 38.22 ? 422 ASP A N 1 ATOM 1286 C CA . ASP A 1 164 ? 9.070 -7.701 36.331 1.00 39.83 ? 422 ASP A CA 1 ATOM 1287 C C . ASP A 1 164 ? 9.811 -8.996 36.701 1.00 44.67 ? 422 ASP A C 1 ATOM 1288 O O . ASP A 1 164 ? 10.585 -9.029 37.670 1.00 46.58 ? 422 ASP A O 1 ATOM 1289 C CB . ASP A 1 164 ? 9.502 -7.147 34.974 1.00 38.84 ? 422 ASP A CB 1 ATOM 1290 C CG . ASP A 1 164 ? 8.594 -7.601 33.844 1.00 42.72 ? 422 ASP A CG 1 ATOM 1291 O OD1 . ASP A 1 164 ? 7.930 -8.662 33.989 1.00 41.69 ? 422 ASP A OD1 1 ATOM 1292 O OD2 . ASP A 1 164 ? 8.539 -6.906 32.801 1.00 42.34 ? 422 ASP A OD2 1 ATOM 1293 N N . SER A 1 165 ? 9.553 -10.072 35.962 1.00 46.52 ? 423 SER A N 1 ATOM 1294 C CA . SER A 1 165 ? 10.178 -11.378 36.269 1.00 48.03 ? 423 SER A CA 1 ATOM 1295 C C . SER A 1 165 ? 11.711 -11.352 36.174 1.00 46.12 ? 423 SER A C 1 ATOM 1296 O O . SER A 1 165 ? 12.395 -12.034 36.930 1.00 48.47 ? 423 SER A O 1 ATOM 1297 C CB . SER A 1 165 ? 9.593 -12.487 35.389 1.00 47.39 ? 423 SER A CB 1 ATOM 1298 O OG . SER A 1 165 ? 9.230 -12.003 34.103 1.00 50.36 ? 423 SER A OG 1 ATOM 1299 N N . ASP A 1 166 ? 12.254 -10.530 35.286 1.00 46.11 ? 424 ASP A N 1 ATOM 1300 C CA . ASP A 1 166 ? 13.699 -10.414 35.173 1.00 43.98 ? 424 ASP A CA 1 ATOM 1301 C C . ASP A 1 166 ? 14.356 -9.535 36.255 1.00 45.46 ? 424 ASP A C 1 ATOM 1302 O O . ASP A 1 166 ? 15.570 -9.320 36.219 1.00 44.79 ? 424 ASP A O 1 ATOM 1303 C CB . ASP A 1 166 ? 14.084 -9.932 33.768 1.00 44.36 ? 424 ASP A CB 1 ATOM 1304 C CG . ASP A 1 166 ? 13.679 -8.505 33.495 1.00 51.34 ? 424 ASP A CG 1 ATOM 1305 O OD1 . ASP A 1 166 ? 13.159 -7.829 34.424 1.00 50.81 ? 424 ASP A OD1 1 ATOM 1306 O OD2 . ASP A 1 166 ? 13.893 -8.053 32.336 1.00 52.03 ? 424 ASP A OD2 1 ATOM 1307 N N . GLY A 1 167 ? 13.578 -9.010 37.201 1.00 43.14 ? 425 GLY A N 1 ATOM 1308 C CA . GLY A 1 167 ? 14.138 -8.125 38.244 1.00 42.94 ? 425 GLY A CA 1 ATOM 1309 C C . GLY A 1 167 ? 14.299 -6.662 37.837 1.00 37.73 ? 425 GLY A C 1 ATOM 1310 O O . GLY A 1 167 ? 14.734 -5.832 38.625 1.00 40.06 ? 425 GLY A O 1 ATOM 1311 N N . SER A 1 168 ? 13.948 -6.351 36.602 1.00 37.50 ? 426 SER A N 1 ATOM 1312 C CA . SER A 1 168 ? 13.841 -4.992 36.145 1.00 37.19 ? 426 SER A CA 1 ATOM 1313 C C . SER A 1 168 ? 12.452 -4.512 36.492 1.00 37.39 ? 426 SER A C 1 ATOM 1314 O O . SER A 1 168 ? 11.672 -5.274 37.044 1.00 35.41 ? 426 SER A O 1 ATOM 1315 C CB . SER A 1 168 ? 14.027 -4.951 34.644 1.00 37.64 ? 426 SER A CB 1 ATOM 1316 O OG . SER A 1 168 ? 12.862 -5.412 33.996 1.00 37.32 ? 426 SER A OG 1 ATOM 1317 N N . PHE A 1 169 ? 12.134 -3.264 36.147 1.00 37.90 ? 427 PHE A N 1 ATOM 1318 C CA . PHE A 1 169 ? 10.813 -2.693 36.454 1.00 34.66 ? 427 PHE A CA 1 ATOM 1319 C C . PHE A 1 169 ? 10.101 -2.292 35.200 1.00 34.01 ? 427 PHE A C 1 ATOM 1320 O O . PHE A 1 169 ? 10.734 -2.040 34.176 1.00 39.01 ? 427 PHE A O 1 ATOM 1321 C CB . PHE A 1 169 ? 10.937 -1.445 37.339 1.00 32.76 ? 427 PHE A CB 1 ATOM 1322 C CG . PHE A 1 169 ? 11.257 -1.753 38.765 1.00 32.35 ? 427 PHE A CG 1 ATOM 1323 C CD1 . PHE A 1 169 ? 10.251 -2.021 39.676 1.00 32.63 ? 427 PHE A CD1 1 ATOM 1324 C CD2 . PHE A 1 169 ? 12.570 -1.802 39.198 1.00 33.63 ? 427 PHE A CD2 1 ATOM 1325 C CE1 . PHE A 1 169 ? 10.543 -2.334 41.000 1.00 31.82 ? 427 PHE A CE1 1 ATOM 1326 C CE2 . PHE A 1 169 ? 12.873 -2.116 40.517 1.00 32.03 ? 427 PHE A CE2 1 ATOM 1327 C CZ . PHE A 1 169 ? 11.856 -2.377 41.423 1.00 30.90 ? 427 PHE A CZ 1 ATOM 1328 N N . PHE A 1 170 ? 8.778 -2.170 35.300 1.00 32.83 ? 428 PHE A N 1 ATOM 1329 C CA . PHE A 1 170 ? 8.002 -1.535 34.252 1.00 33.02 ? 428 PHE A CA 1 ATOM 1330 C C . PHE A 1 170 ? 6.843 -0.749 34.797 1.00 30.01 ? 428 PHE A C 1 ATOM 1331 O O . PHE A 1 170 ? 6.427 -0.930 35.921 1.00 31.39 ? 428 PHE A O 1 ATOM 1332 C CB . PHE A 1 170 ? 7.469 -2.583 33.257 1.00 34.54 ? 428 PHE A CB 1 ATOM 1333 C CG . PHE A 1 170 ? 6.292 -3.371 33.760 1.00 34.36 ? 428 PHE A CG 1 ATOM 1334 C CD1 . PHE A 1 170 ? 6.479 -4.535 34.463 1.00 36.30 ? 428 PHE A CD1 1 ATOM 1335 C CD2 . PHE A 1 170 ? 4.993 -2.976 33.474 1.00 35.78 ? 428 PHE A CD2 1 ATOM 1336 C CE1 . PHE A 1 170 ? 5.397 -5.289 34.914 1.00 34.75 ? 428 PHE A CE1 1 ATOM 1337 C CE2 . PHE A 1 170 ? 3.905 -3.715 33.924 1.00 35.09 ? 428 PHE A CE2 1 ATOM 1338 C CZ . PHE A 1 170 ? 4.106 -4.875 34.650 1.00 34.83 ? 428 PHE A CZ 1 ATOM 1339 N N . LEU A 1 171 ? 6.296 0.116 33.965 1.00 31.12 ? 429 LEU A N 1 ATOM 1340 C CA . LEU A 1 171 ? 5.029 0.755 34.264 1.00 30.33 ? 429 LEU A CA 1 ATOM 1341 C C . LEU A 1 171 ? 4.317 1.113 32.968 1.00 31.41 ? 429 LEU A C 1 ATOM 1342 O O . LEU A 1 171 ? 4.874 0.948 31.866 1.00 35.83 ? 429 LEU A O 1 ATOM 1343 C CB . LEU A 1 171 ? 5.249 1.979 35.162 1.00 30.16 ? 429 LEU A CB 1 ATOM 1344 C CG . LEU A 1 171 ? 6.271 3.051 34.777 1.00 33.81 ? 429 LEU A CG 1 ATOM 1345 C CD1 . LEU A 1 171 ? 5.902 3.806 33.515 1.00 34.35 ? 429 LEU A CD1 1 ATOM 1346 C CD2 . LEU A 1 171 ? 6.411 4.054 35.907 1.00 35.59 ? 429 LEU A CD2 1 ATOM 1347 N N . TYR A 1 172 ? 3.098 1.609 33.089 1.00 30.35 ? 430 TYR A N 1 ATOM 1348 C CA . TYR A 1 172 ? 2.385 2.209 31.959 1.00 31.49 ? 430 TYR A CA 1 ATOM 1349 C C . TYR A 1 172 ? 1.906 3.591 32.374 1.00 30.98 ? 430 TYR A C 1 ATOM 1350 O O . TYR A 1 172 ? 1.511 3.790 33.518 1.00 29.43 ? 430 TYR A O 1 ATOM 1351 C CB . TYR A 1 172 ? 1.141 1.403 31.618 1.00 31.03 ? 430 TYR A CB 1 ATOM 1352 C CG . TYR A 1 172 ? 1.374 0.056 31.013 1.00 31.95 ? 430 TYR A CG 1 ATOM 1353 C CD1 . TYR A 1 172 ? 1.676 -1.054 31.799 1.00 33.48 ? 430 TYR A CD1 1 ATOM 1354 C CD2 . TYR A 1 172 ? 1.226 -0.138 29.660 1.00 33.88 ? 430 TYR A CD2 1 ATOM 1355 C CE1 . TYR A 1 172 ? 1.838 -2.316 31.231 1.00 32.83 ? 430 TYR A CE1 1 ATOM 1356 C CE2 . TYR A 1 172 ? 1.402 -1.397 29.082 1.00 33.63 ? 430 TYR A CE2 1 ATOM 1357 C CZ . TYR A 1 172 ? 1.693 -2.477 29.859 1.00 33.98 ? 430 TYR A CZ 1 ATOM 1358 O OH . TYR A 1 172 ? 1.854 -3.716 29.259 1.00 38.64 ? 430 TYR A OH 1 ATOM 1359 N N . SER A 1 173 ? 1.903 4.531 31.441 1.00 33.91 ? 431 SER A N 1 ATOM 1360 C CA . SER A 1 173 ? 1.280 5.838 31.673 1.00 34.37 ? 431 SER A CA 1 ATOM 1361 C C . SER A 1 173 ? 0.172 5.898 30.697 1.00 35.25 ? 431 SER A C 1 ATOM 1362 O O . SER A 1 173 ? 0.383 5.544 29.547 1.00 39.29 ? 431 SER A O 1 ATOM 1363 C CB . SER A 1 173 ? 2.251 6.977 31.363 1.00 35.28 ? 431 SER A CB 1 ATOM 1364 O OG . SER A 1 173 ? 1.756 8.190 31.879 1.00 31.76 ? 431 SER A OG 1 ATOM 1365 N N . LYS A 1 174 ? -0.983 6.365 31.147 1.00 37.69 ? 432 LYS A N 1 ATOM 1366 C CA . LYS A 1 174 ? -2.176 6.462 30.331 1.00 38.60 ? 432 LYS A CA 1 ATOM 1367 C C . LYS A 1 174 ? -2.581 7.910 30.191 1.00 36.59 ? 432 LYS A C 1 ATOM 1368 O O . LYS A 1 174 ? -2.867 8.563 31.183 1.00 35.24 ? 432 LYS A O 1 ATOM 1369 C CB . LYS A 1 174 ? -3.354 5.692 30.955 1.00 39.66 ? 432 LYS A CB 1 ATOM 1370 C CG . LYS A 1 174 ? -4.630 5.810 30.115 1.00 42.94 ? 432 LYS A CG 1 ATOM 1371 C CD . LYS A 1 174 ? -5.694 4.766 30.435 1.00 42.35 ? 432 LYS A CD 1 ATOM 1372 C CE . LYS A 1 174 ? -6.285 4.910 31.823 1.00 40.25 ? 432 LYS A CE 1 ATOM 1373 N NZ . LYS A 1 174 ? -6.895 6.221 32.097 1.00 41.96 ? 432 LYS A NZ 1 ATOM 1374 N N . LEU A 1 175 ? -2.639 8.389 28.951 1.00 39.64 ? 433 LEU A N 1 ATOM 1375 C CA . LEU A 1 175 ? -3.087 9.732 28.680 1.00 42.58 ? 433 LEU A CA 1 ATOM 1376 C C . LEU A 1 175 ? -4.460 9.638 28.047 1.00 43.40 ? 433 LEU A C 1 ATOM 1377 O O . LEU A 1 175 ? -4.678 8.924 27.061 1.00 44.60 ? 433 LEU A O 1 ATOM 1378 C CB . LEU A 1 175 ? -2.119 10.466 27.756 1.00 45.44 ? 433 LEU A CB 1 ATOM 1379 C CG . LEU A 1 175 ? -2.601 11.810 27.170 1.00 44.06 ? 433 LEU A CG 1 ATOM 1380 C CD1 . LEU A 1 175 ? -2.797 12.878 28.230 1.00 44.14 ? 433 LEU A CD1 1 ATOM 1381 C CD2 . LEU A 1 175 ? -1.622 12.303 26.114 1.00 45.85 ? 433 LEU A CD2 1 ATOM 1382 N N . THR A 1 176 ? -5.382 10.351 28.655 1.00 47.56 ? 434 THR A N 1 ATOM 1383 C CA . THR A 1 176 ? -6.745 10.388 28.205 1.00 54.26 ? 434 THR A CA 1 ATOM 1384 C C . THR A 1 176 ? -6.965 11.693 27.449 1.00 56.12 ? 434 THR A C 1 ATOM 1385 O O . THR A 1 176 ? -6.800 12.780 28.026 1.00 54.45 ? 434 THR A O 1 ATOM 1386 C CB . THR A 1 176 ? -7.695 10.277 29.402 1.00 53.46 ? 434 THR A CB 1 ATOM 1387 O OG1 . THR A 1 176 ? -7.715 8.908 29.834 1.00 54.51 ? 434 THR A OG1 1 ATOM 1388 C CG2 . THR A 1 176 ? -9.114 10.722 29.022 1.00 54.62 ? 434 THR A CG2 1 ATOM 1389 N N . VAL A 1 177 ? -7.330 11.573 26.170 1.00 56.08 ? 435 VAL A N 1 ATOM 1390 C CA . VAL A 1 177 ? -7.648 12.742 25.338 1.00 61.03 ? 435 VAL A CA 1 ATOM 1391 C C . VAL A 1 177 ? -9.016 12.633 24.665 1.00 60.74 ? 435 VAL A C 1 ATOM 1392 O O . VAL A 1 177 ? -9.492 11.531 24.357 1.00 54.21 ? 435 VAL A O 1 ATOM 1393 C CB . VAL A 1 177 ? -6.591 12.961 24.230 1.00 62.74 ? 435 VAL A CB 1 ATOM 1394 C CG1 . VAL A 1 177 ? -5.231 13.228 24.850 1.00 65.27 ? 435 VAL A CG1 1 ATOM 1395 C CG2 . VAL A 1 177 ? -6.508 11.764 23.281 1.00 62.25 ? 435 VAL A CG2 1 ATOM 1396 N N . ASP A 1 178 ? -9.627 13.787 24.412 1.00 65.50 ? 436 ASP A N 1 ATOM 1397 C CA . ASP A 1 178 ? -10.818 13.848 23.570 1.00 68.59 ? 436 ASP A CA 1 ATOM 1398 C C . ASP A 1 178 ? -10.540 13.191 22.215 1.00 65.79 ? 436 ASP A C 1 ATOM 1399 O O . ASP A 1 178 ? -9.528 13.492 21.574 1.00 67.12 ? 436 ASP A O 1 ATOM 1400 C CB . ASP A 1 178 ? -11.281 15.294 23.400 1.00 69.38 ? 436 ASP A CB 1 ATOM 1401 C CG . ASP A 1 178 ? -11.989 15.812 24.633 1.00 74.36 ? 436 ASP A CG 1 ATOM 1402 O OD1 . ASP A 1 178 ? -11.429 16.674 25.341 1.00 82.96 ? 436 ASP A OD1 1 ATOM 1403 O OD2 . ASP A 1 178 ? -13.106 15.334 24.915 1.00 80.85 ? 436 ASP A OD2 1 ATOM 1404 N N . LYS A 1 179 ? -11.427 12.276 21.815 1.00 60.96 ? 437 LYS A N 1 ATOM 1405 C CA . LYS A 1 179 ? -11.288 11.499 20.571 1.00 67.18 ? 437 LYS A CA 1 ATOM 1406 C C . LYS A 1 179 ? -11.019 12.379 19.357 1.00 68.28 ? 437 LYS A C 1 ATOM 1407 O O . LYS A 1 179 ? -10.114 12.097 18.568 1.00 69.30 ? 437 LYS A O 1 ATOM 1408 C CB . LYS A 1 179 ? -12.551 10.664 20.316 1.00 71.81 ? 437 LYS A CB 1 ATOM 1409 C CG . LYS A 1 179 ? -12.616 10.028 18.929 1.00 75.45 ? 437 LYS A CG 1 ATOM 1410 C CD . LYS A 1 179 ? -13.651 8.911 18.824 1.00 77.69 ? 437 LYS A CD 1 ATOM 1411 C CE . LYS A 1 179 ? -15.083 9.430 18.922 1.00 81.22 ? 437 LYS A CE 1 ATOM 1412 N NZ . LYS A 1 179 ? -16.079 8.324 19.022 1.00 84.64 ? 437 LYS A NZ 1 ATOM 1413 N N . SER A 1 180 ? -11.804 13.442 19.206 1.00 69.68 ? 438 SER A N 1 ATOM 1414 C CA . SER A 1 180 ? -11.589 14.401 18.115 1.00 73.51 ? 438 SER A CA 1 ATOM 1415 C C . SER A 1 180 ? -10.092 14.698 17.975 1.00 75.57 ? 438 SER A C 1 ATOM 1416 O O . SER A 1 180 ? -9.512 14.477 16.910 1.00 74.16 ? 438 SER A O 1 ATOM 1417 C CB . SER A 1 180 ? -12.406 15.695 18.324 1.00 69.32 ? 438 SER A CB 1 ATOM 1418 O OG . SER A 1 180 ? -12.007 16.422 19.477 1.00 70.61 ? 438 SER A OG 1 ATOM 1419 N N . ARG A 1 181 ? -9.459 15.134 19.066 1.00 75.83 ? 439 ARG A N 1 ATOM 1420 C CA . ARG A 1 181 ? -8.028 15.470 19.027 1.00 73.85 ? 439 ARG A CA 1 ATOM 1421 C C . ARG A 1 181 ? -7.187 14.347 18.465 1.00 68.10 ? 439 ARG A C 1 ATOM 1422 O O . ARG A 1 181 ? -6.198 14.599 17.797 1.00 69.89 ? 439 ARG A O 1 ATOM 1423 C CB . ARG A 1 181 ? -7.492 15.819 20.405 1.00 72.68 ? 439 ARG A CB 1 ATOM 1424 C CG . ARG A 1 181 ? -8.029 17.111 20.974 1.00 72.43 ? 439 ARG A CG 1 ATOM 1425 C CD . ARG A 1 181 ? -7.435 17.358 22.347 1.00 75.09 ? 439 ARG A CD 1 ATOM 1426 N NE . ARG A 1 181 ? -5.989 17.569 22.282 1.00 78.92 ? 439 ARG A NE 1 ATOM 1427 C CZ . ARG A 1 181 ? -5.170 17.604 23.335 1.00 81.77 ? 439 ARG A CZ 1 ATOM 1428 N NH1 . ARG A 1 181 ? -5.626 17.432 24.576 1.00 79.09 ? 439 ARG A NH1 1 ATOM 1429 N NH2 . ARG A 1 181 ? -3.874 17.809 23.142 1.00 83.84 ? 439 ARG A NH2 1 ATOM 1430 N N . TRP A 1 182 ? -7.565 13.109 18.753 1.00 67.39 ? 440 TRP A N 1 ATOM 1431 C CA . TRP A 1 182 ? -6.835 11.967 18.224 1.00 68.72 ? 440 TRP A CA 1 ATOM 1432 C C . TRP A 1 182 ? -7.057 11.802 16.727 1.00 74.26 ? 440 TRP A C 1 ATOM 1433 O O . TRP A 1 182 ? -6.103 11.583 15.973 1.00 74.46 ? 440 TRP A O 1 ATOM 1434 C CB . TRP A 1 182 ? -7.215 10.678 18.954 1.00 61.74 ? 440 TRP A CB 1 ATOM 1435 C CG . TRP A 1 182 ? -6.499 9.483 18.432 1.00 57.03 ? 440 TRP A CG 1 ATOM 1436 C CD1 . TRP A 1 182 ? -7.051 8.400 17.801 1.00 60.57 ? 440 TRP A CD1 1 ATOM 1437 C CD2 . TRP A 1 182 ? -5.089 9.239 18.485 1.00 58.91 ? 440 TRP A CD2 1 ATOM 1438 N NE1 . TRP A 1 182 ? -6.069 7.496 17.456 1.00 59.26 ? 440 TRP A NE1 1 ATOM 1439 C CE2 . TRP A 1 182 ? -4.856 7.991 17.868 1.00 59.90 ? 440 TRP A CE2 1 ATOM 1440 C CE3 . TRP A 1 182 ? -3.999 9.952 19.005 1.00 56.83 ? 440 TRP A CE3 1 ATOM 1441 C CZ2 . TRP A 1 182 ? -3.587 7.446 17.760 1.00 61.23 ? 440 TRP A CZ2 1 ATOM 1442 C CZ3 . TRP A 1 182 ? -2.748 9.420 18.885 1.00 55.13 ? 440 TRP A CZ3 1 ATOM 1443 C CH2 . TRP A 1 182 ? -2.547 8.173 18.276 1.00 58.90 ? 440 TRP A CH2 1 ATOM 1444 N N . GLN A 1 183 ? -8.316 11.888 16.303 1.00 82.51 ? 441 GLN A N 1 ATOM 1445 C CA . GLN A 1 183 ? -8.660 11.748 14.881 1.00 83.81 ? 441 GLN A CA 1 ATOM 1446 C C . GLN A 1 183 ? -8.080 12.870 14.020 1.00 79.70 ? 441 GLN A C 1 ATOM 1447 O O . GLN A 1 183 ? -7.628 12.621 12.896 1.00 74.49 ? 441 GLN A O 1 ATOM 1448 C CB . GLN A 1 183 ? -10.168 11.671 14.703 1.00 86.91 ? 441 GLN A CB 1 ATOM 1449 C CG . GLN A 1 183 ? -10.734 10.335 15.141 1.00 90.21 ? 441 GLN A CG 1 ATOM 1450 C CD . GLN A 1 183 ? -12.250 10.331 15.167 1.00 93.52 ? 441 GLN A CD 1 ATOM 1451 O OE1 . GLN A 1 183 ? -12.878 11.242 15.721 1.00 88.64 ? 441 GLN A OE1 1 ATOM 1452 N NE2 . GLN A 1 183 ? -12.850 9.300 14.572 1.00 92.15 ? 441 GLN A NE2 1 ATOM 1453 N N . GLN A 1 184 ? -8.056 14.084 14.570 1.00 74.77 ? 442 GLN A N 1 ATOM 1454 C CA . GLN A 1 184 ? -7.462 15.241 13.891 1.00 79.94 ? 442 GLN A CA 1 ATOM 1455 C C . GLN A 1 184 ? -5.935 15.189 13.687 1.00 79.86 ? 442 GLN A C 1 ATOM 1456 O O . GLN A 1 184 ? -5.345 16.178 13.266 1.00 81.27 ? 442 GLN A O 1 ATOM 1457 C CB . GLN A 1 184 ? -7.811 16.515 14.648 1.00 82.12 ? 442 GLN A CB 1 ATOM 1458 C CG . GLN A 1 184 ? -9.284 16.859 14.602 1.00 86.77 ? 442 GLN A CG 1 ATOM 1459 C CD . GLN A 1 184 ? -9.622 17.985 15.547 1.00 93.45 ? 442 GLN A CD 1 ATOM 1460 O OE1 . GLN A 1 184 ? -8.733 18.709 16.011 1.00 97.65 ? 442 GLN A OE1 1 ATOM 1461 N NE2 . GLN A 1 184 ? -10.909 18.143 15.846 1.00 95.47 ? 442 GLN A NE2 1 ATOM 1462 N N . GLY A 1 185 ? -5.296 14.065 14.011 1.00 82.10 ? 443 GLY A N 1 ATOM 1463 C CA . GLY A 1 185 ? -3.896 13.832 13.661 1.00 76.76 ? 443 GLY A CA 1 ATOM 1464 C C . GLY A 1 185 ? -2.848 14.441 14.584 1.00 75.77 ? 443 GLY A C 1 ATOM 1465 O O . GLY A 1 185 ? -1.652 14.350 14.280 1.00 74.37 ? 443 GLY A O 1 ATOM 1466 N N . ASN A 1 186 ? -3.269 15.038 15.705 1.00 68.40 ? 444 ASN A N 1 ATOM 1467 C CA . ASN A 1 186 ? -2.324 15.662 16.635 1.00 68.83 ? 444 ASN A CA 1 ATOM 1468 C C . ASN A 1 186 ? -1.278 14.672 17.120 1.00 67.39 ? 444 ASN A C 1 ATOM 1469 O O . ASN A 1 186 ? -1.533 13.467 17.247 1.00 67.60 ? 444 ASN A O 1 ATOM 1470 C CB . ASN A 1 186 ? -3.007 16.226 17.875 1.00 71.74 ? 444 ASN A CB 1 ATOM 1471 C CG . ASN A 1 186 ? -4.123 17.191 17.553 1.00 72.99 ? 444 ASN A CG 1 ATOM 1472 O OD1 . ASN A 1 186 ? -5.129 16.808 16.957 1.00 71.02 ? 444 ASN A OD1 1 ATOM 1473 N ND2 . ASN A 1 186 ? -3.977 18.441 17.988 1.00 76.12 ? 444 ASN A ND2 1 ATOM 1474 N N . VAL A 1 187 ? -0.092 15.187 17.392 1.00 64.68 ? 445 VAL A N 1 ATOM 1475 C CA . VAL A 1 187 ? 0.988 14.335 17.837 1.00 67.26 ? 445 VAL A CA 1 ATOM 1476 C C . VAL A 1 187 ? 1.177 14.551 19.327 1.00 64.28 ? 445 VAL A C 1 ATOM 1477 O O . VAL A 1 187 ? 1.198 15.678 19.838 1.00 64.85 ? 445 VAL A O 1 ATOM 1478 C CB . VAL A 1 187 ? 2.315 14.554 17.067 1.00 68.17 ? 445 VAL A CB 1 ATOM 1479 C CG1 . VAL A 1 187 ? 3.335 13.484 17.452 1.00 67.57 ? 445 VAL A CG1 1 ATOM 1480 C CG2 . VAL A 1 187 ? 2.082 14.518 15.561 1.00 65.65 ? 445 VAL A CG2 1 ATOM 1481 N N . PHE A 1 188 ? 1.299 13.432 20.013 1.00 60.29 ? 446 PHE A N 1 ATOM 1482 C CA . PHE A 1 188 ? 1.425 13.418 21.444 1.00 59.42 ? 446 PHE A CA 1 ATOM 1483 C C . PHE A 1 188 ? 2.735 12.758 21.721 1.00 53.84 ? 446 PHE A C 1 ATOM 1484 O O . PHE A 1 188 ? 3.126 11.846 20.988 1.00 50.78 ? 446 PHE A O 1 ATOM 1485 C CB . PHE A 1 188 ? 0.275 12.607 22.045 1.00 57.34 ? 446 PHE A CB 1 ATOM 1486 C CG . PHE A 1 188 ? -1.037 13.314 21.969 1.00 55.35 ? 446 PHE A CG 1 ATOM 1487 C CD1 . PHE A 1 188 ? -1.400 14.209 22.951 1.00 52.90 ? 446 PHE A CD1 1 ATOM 1488 C CD2 . PHE A 1 188 ? -1.880 13.129 20.884 1.00 59.15 ? 446 PHE A CD2 1 ATOM 1489 C CE1 . PHE A 1 188 ? -2.595 14.892 22.881 1.00 55.74 ? 446 PHE A CE1 1 ATOM 1490 C CE2 . PHE A 1 188 ? -3.082 13.805 20.803 1.00 57.67 ? 446 PHE A CE2 1 ATOM 1491 C CZ . PHE A 1 188 ? -3.444 14.686 21.807 1.00 56.04 ? 446 PHE A CZ 1 ATOM 1492 N N . SER A 1 189 ? 3.427 13.213 22.760 1.00 51.89 ? 447 SER A N 1 ATOM 1493 C CA . SER A 1 189 ? 4.644 12.520 23.154 1.00 50.27 ? 447 SER A CA 1 ATOM 1494 C C . SER A 1 189 ? 4.728 12.245 24.646 1.00 47.79 ? 447 SER A C 1 ATOM 1495 O O . SER A 1 189 ? 4.254 13.008 25.485 1.00 41.52 ? 447 SER A O 1 ATOM 1496 C CB . SER A 1 189 ? 5.878 13.268 22.656 1.00 50.70 ? 447 SER A CB 1 ATOM 1497 O OG . SER A 1 189 ? 5.863 14.580 23.155 1.00 47.80 ? 447 SER A OG 1 ATOM 1498 N N . CYS A 1 190 ? 5.368 11.124 24.941 1.00 49.93 ? 448 CYS A N 1 ATOM 1499 C CA . CYS A 1 190 ? 5.515 10.614 26.276 1.00 48.12 ? 448 CYS A CA 1 ATOM 1500 C C . CYS A 1 190 ? 6.970 10.867 26.617 1.00 43.78 ? 448 CYS A C 1 ATOM 1501 O O . CYS A 1 190 ? 7.842 10.319 25.964 1.00 41.04 ? 448 CYS A O 1 ATOM 1502 C CB . CYS A 1 190 ? 5.177 9.099 26.274 1.00 49.57 ? 448 CYS A CB 1 ATOM 1503 S SG . CYS A 1 190 ? 5.760 8.191 27.713 1.00 55.29 ? 448 CYS A SG 1 ATOM 1504 N N . SER A 1 191 ? 7.224 11.702 27.619 1.00 46.19 ? 449 SER A N 1 ATOM 1505 C CA . SER A 1 191 ? 8.594 12.001 28.091 1.00 48.16 ? 449 SER A CA 1 ATOM 1506 C C . SER A 1 191 ? 8.915 11.152 29.305 1.00 49.16 ? 449 SER A C 1 ATOM 1507 O O . SER A 1 191 ? 8.094 11.049 30.234 1.00 47.26 ? 449 SER A O 1 ATOM 1508 C CB . SER A 1 191 ? 8.723 13.456 28.519 1.00 46.51 ? 449 SER A CB 1 ATOM 1509 O OG . SER A 1 191 ? 8.290 14.306 27.495 1.00 55.57 ? 449 SER A OG 1 ATOM 1510 N N . VAL A 1 192 ? 10.118 10.585 29.313 1.00 45.09 ? 450 VAL A N 1 ATOM 1511 C CA . VAL A 1 192 ? 10.575 9.744 30.405 1.00 41.86 ? 450 VAL A CA 1 ATOM 1512 C C . VAL A 1 192 ? 11.976 10.134 30.835 1.00 41.77 ? 450 VAL A C 1 ATOM 1513 O O . VAL A 1 192 ? 12.867 10.224 30.002 1.00 43.37 ? 450 VAL A O 1 ATOM 1514 C CB . VAL A 1 192 ? 10.624 8.288 29.973 1.00 40.65 ? 450 VAL A CB 1 ATOM 1515 C CG1 . VAL A 1 192 ? 11.258 7.425 31.058 1.00 41.38 ? 450 VAL A CG1 1 ATOM 1516 C CG2 . VAL A 1 192 ? 9.221 7.800 29.650 1.00 45.47 ? 450 VAL A CG2 1 ATOM 1517 N N . MET A 1 193 ? 12.179 10.298 32.144 1.00 44.04 ? 451 MET A N 1 ATOM 1518 C CA . MET A 1 193 ? 13.502 10.566 32.690 1.00 42.76 ? 451 MET A CA 1 ATOM 1519 C C . MET A 1 193 ? 13.967 9.508 33.662 1.00 39.49 ? 451 MET A C 1 ATOM 1520 O O . MET A 1 193 ? 13.236 9.158 34.583 1.00 36.59 ? 451 MET A O 1 ATOM 1521 C CB . MET A 1 193 ? 13.467 11.883 33.399 1.00 49.40 ? 451 MET A CB 1 ATOM 1522 C CG . MET A 1 193 ? 12.783 12.963 32.580 1.00 56.03 ? 451 MET A CG 1 ATOM 1523 S SD . MET A 1 193 ? 12.855 14.488 33.511 1.00 63.20 ? 451 MET A SD 1 ATOM 1524 C CE . MET A 1 193 ? 14.640 14.773 33.441 1.00 63.39 ? 451 MET A CE 1 ATOM 1525 N N . HIS A 1 194 ? 15.208 9.050 33.466 1.00 39.05 ? 452 HIS A N 1 ATOM 1526 C CA . HIS A 1 194 ? 15.810 7.962 34.227 1.00 37.89 ? 452 HIS A CA 1 ATOM 1527 C C . HIS A 1 194 ? 17.348 7.958 34.104 1.00 39.94 ? 452 HIS A C 1 ATOM 1528 O O . HIS A 1 194 ? 17.897 8.247 33.047 1.00 39.98 ? 452 HIS A O 1 ATOM 1529 C CB . HIS A 1 194 ? 15.268 6.623 33.720 1.00 35.76 ? 452 HIS A CB 1 ATOM 1530 C CG . HIS A 1 194 ? 15.636 5.460 34.587 1.00 35.13 ? 452 HIS A CG 1 ATOM 1531 N ND1 . HIS A 1 194 ? 16.778 4.721 34.389 1.00 34.77 ? 452 HIS A ND1 1 ATOM 1532 C CD2 . HIS A 1 194 ? 15.013 4.909 35.655 1.00 34.22 ? 452 HIS A CD2 1 ATOM 1533 C CE1 . HIS A 1 194 ? 16.854 3.770 35.300 1.00 35.80 ? 452 HIS A CE1 1 ATOM 1534 N NE2 . HIS A 1 194 ? 15.790 3.858 36.080 1.00 37.68 ? 452 HIS A NE2 1 ATOM 1535 N N . GLU A 1 195 ? 18.050 7.595 35.170 1.00 41.81 ? 453 GLU A N 1 ATOM 1536 C CA . GLU A 1 195 ? 19.509 7.762 35.172 1.00 42.99 ? 453 GLU A CA 1 ATOM 1537 C C . GLU A 1 195 ? 20.219 7.021 34.039 1.00 43.63 ? 453 GLU A C 1 ATOM 1538 O O . GLU A 1 195 ? 21.220 7.501 33.530 1.00 41.95 ? 453 GLU A O 1 ATOM 1539 C CB . GLU A 1 195 ? 20.118 7.347 36.505 1.00 42.07 ? 453 GLU A CB 1 ATOM 1540 C CG . GLU A 1 195 ? 20.002 5.873 36.835 1.00 42.82 ? 453 GLU A CG 1 ATOM 1541 C CD . GLU A 1 195 ? 20.945 5.481 37.952 1.00 44.14 ? 453 GLU A CD 1 ATOM 1542 O OE1 . GLU A 1 195 ? 20.448 5.037 39.004 1.00 46.08 ? 453 GLU A OE1 1 ATOM 1543 O OE2 . GLU A 1 195 ? 22.180 5.617 37.776 1.00 44.44 ? 453 GLU A OE2 1 ATOM 1544 N N . ALA A 1 196 ? 19.696 5.859 33.659 1.00 40.88 ? 454 ALA A N 1 ATOM 1545 C CA . ALA A 1 196 ? 20.306 5.028 32.612 1.00 40.94 ? 454 ALA A CA 1 ATOM 1546 C C . ALA A 1 196 ? 19.968 5.433 31.189 1.00 41.29 ? 454 ALA A C 1 ATOM 1547 O O . ALA A 1 196 ? 20.209 4.661 30.281 1.00 43.84 ? 454 ALA A O 1 ATOM 1548 C CB . ALA A 1 196 ? 19.924 3.581 32.821 1.00 40.91 ? 454 ALA A CB 1 ATOM 1549 N N . LEU A 1 197 ? 19.388 6.617 31.003 1.00 44.73 ? 455 LEU A N 1 ATOM 1550 C CA . LEU A 1 197 ? 19.145 7.195 29.679 1.00 44.90 ? 455 LEU A CA 1 ATOM 1551 C C . LEU A 1 197 ? 20.161 8.280 29.375 1.00 48.04 ? 455 LEU A C 1 ATOM 1552 O O . LEU A 1 197 ? 20.581 9.030 30.266 1.00 49.48 ? 455 LEU A O 1 ATOM 1553 C CB . LEU A 1 197 ? 17.775 7.874 29.632 1.00 45.10 ? 455 LEU A CB 1 ATOM 1554 C CG . LEU A 1 197 ? 16.539 6.972 29.611 1.00 45.30 ? 455 LEU A CG 1 ATOM 1555 C CD1 . LEU A 1 197 ? 15.285 7.770 29.895 1.00 45.75 ? 455 LEU A CD1 1 ATOM 1556 C CD2 . LEU A 1 197 ? 16.422 6.247 28.283 1.00 46.54 ? 455 LEU A CD2 1 ATOM 1557 N N . HIS A 1 198 ? 20.507 8.394 28.103 1.00 49.35 ? 456 HIS A N 1 ATOM 1558 C CA . HIS A 1 198 ? 21.318 9.489 27.633 1.00 52.24 ? 456 HIS A CA 1 ATOM 1559 C C . HIS A 1 198 ? 20.693 10.822 28.025 1.00 51.96 ? 456 HIS A C 1 ATOM 1560 O O . HIS A 1 198 ? 19.515 11.044 27.796 1.00 53.39 ? 456 HIS A O 1 ATOM 1561 C CB . HIS A 1 198 ? 21.455 9.417 26.124 1.00 57.52 ? 456 HIS A CB 1 ATOM 1562 C CG . HIS A 1 198 ? 22.461 10.374 25.569 1.00 66.53 ? 456 HIS A CG 1 ATOM 1563 N ND1 . HIS A 1 198 ? 22.160 11.690 25.281 1.00 68.44 ? 456 HIS A ND1 1 ATOM 1564 C CD2 . HIS A 1 198 ? 23.770 10.210 25.261 1.00 69.11 ? 456 HIS A CD2 1 ATOM 1565 C CE1 . HIS A 1 198 ? 23.237 12.293 24.814 1.00 69.00 ? 456 HIS A CE1 1 ATOM 1566 N NE2 . HIS A 1 198 ? 24.227 11.417 24.790 1.00 71.38 ? 456 HIS A NE2 1 ATOM 1567 N N . ASN A 1 199 ? 21.483 11.713 28.619 1.00 49.70 ? 457 ASN A N 1 ATOM 1568 C CA . ASN A 1 199 ? 20.962 12.984 29.111 1.00 49.69 ? 457 ASN A CA 1 ATOM 1569 C C . ASN A 1 199 ? 19.799 12.763 30.054 1.00 45.76 ? 457 ASN A C 1 ATOM 1570 O O . ASN A 1 199 ? 19.007 13.664 30.275 1.00 42.82 ? 457 ASN A O 1 ATOM 1571 C CB . ASN A 1 199 ? 20.515 13.914 27.968 1.00 55.97 ? 457 ASN A CB 1 ATOM 1572 C CG . ASN A 1 199 ? 21.680 14.507 27.180 1.00 62.06 ? 457 ASN A CG 1 ATOM 1573 O OD1 . ASN A 1 199 ? 21.538 14.864 26.004 1.00 66.18 ? 457 ASN A OD1 1 ATOM 1574 N ND2 . ASN A 1 199 ? 22.822 14.638 27.825 1.00 64.30 ? 457 ASN A ND2 1 ATOM 1575 N N . HIS A 1 200 ? 19.708 11.565 30.625 1.00 46.38 ? 458 HIS A N 1 ATOM 1576 C CA . HIS A 1 200 ? 18.615 11.215 31.528 1.00 46.88 ? 458 HIS A CA 1 ATOM 1577 C C . HIS A 1 200 ? 17.246 11.529 30.969 1.00 46.81 ? 458 HIS A C 1 ATOM 1578 O O . HIS A 1 200 ? 16.358 11.935 31.721 1.00 45.17 ? 458 HIS A O 1 ATOM 1579 C CB . HIS A 1 200 ? 18.763 11.961 32.855 1.00 44.99 ? 458 HIS A CB 1 ATOM 1580 C CG . HIS A 1 200 ? 20.048 11.695 33.553 1.00 42.62 ? 458 HIS A CG 1 ATOM 1581 N ND1 . HIS A 1 200 ? 20.554 12.539 34.518 1.00 44.18 ? 458 HIS A ND1 1 ATOM 1582 C CD2 . HIS A 1 200 ? 20.927 10.672 33.443 1.00 42.37 ? 458 HIS A CD2 1 ATOM 1583 C CE1 . HIS A 1 200 ? 21.680 12.028 34.992 1.00 43.95 ? 458 HIS A CE1 1 ATOM 1584 N NE2 . HIS A 1 200 ? 21.939 10.909 34.339 1.00 41.66 ? 458 HIS A NE2 1 ATOM 1585 N N . TYR A 1 201 ? 17.072 11.369 29.659 1.00 48.09 ? 459 TYR A N 1 ATOM 1586 C CA . TYR A 1 201 ? 15.820 11.771 29.039 1.00 49.00 ? 459 TYR A CA 1 ATOM 1587 C C . TYR A 1 201 ? 15.551 11.055 27.735 1.00 49.43 ? 459 TYR A C 1 ATOM 1588 O O . TYR A 1 201 ? 16.474 10.688 27.021 1.00 50.84 ? 459 TYR A O 1 ATOM 1589 C CB . TYR A 1 201 ? 15.824 13.270 28.833 1.00 50.44 ? 459 TYR A CB 1 ATOM 1590 C CG . TYR A 1 201 ? 14.605 13.815 28.138 1.00 51.27 ? 459 TYR A CG 1 ATOM 1591 C CD1 . TYR A 1 201 ? 14.437 13.647 26.770 1.00 51.99 ? 459 TYR A CD1 1 ATOM 1592 C CD2 . TYR A 1 201 ? 13.633 14.520 28.846 1.00 47.92 ? 459 TYR A CD2 1 ATOM 1593 C CE1 . TYR A 1 201 ? 13.321 14.152 26.128 1.00 56.86 ? 459 TYR A CE1 1 ATOM 1594 C CE2 . TYR A 1 201 ? 12.514 15.020 28.221 1.00 50.01 ? 459 TYR A CE2 1 ATOM 1595 C CZ . TYR A 1 201 ? 12.367 14.842 26.850 1.00 54.71 ? 459 TYR A CZ 1 ATOM 1596 O OH . TYR A 1 201 ? 11.264 15.343 26.184 1.00 60.56 ? 459 TYR A OH 1 ATOM 1597 N N . THR A 1 202 ? 14.272 10.793 27.470 1.00 50.68 ? 460 THR A N 1 ATOM 1598 C CA . THR A 1 202 ? 13.835 10.387 26.141 1.00 48.22 ? 460 THR A CA 1 ATOM 1599 C C . THR A 1 202 ? 12.382 10.709 25.965 1.00 49.92 ? 460 THR A C 1 ATOM 1600 O O . THR A 1 202 ? 11.628 10.767 26.930 1.00 54.33 ? 460 THR A O 1 ATOM 1601 C CB . THR A 1 202 ? 14.065 8.909 25.829 1.00 51.57 ? 460 THR A CB 1 ATOM 1602 O OG1 . THR A 1 202 ? 13.806 8.700 24.448 1.00 53.62 ? 460 THR A OG1 1 ATOM 1603 C CG2 . THR A 1 202 ? 13.126 7.977 26.640 1.00 54.39 ? 460 THR A CG2 1 ATOM 1604 N N . GLN A 1 203 ? 12.004 10.916 24.713 1.00 53.82 ? 461 GLN A N 1 ATOM 1605 C CA . GLN A 1 203 ? 10.647 11.247 24.342 1.00 53.97 ? 461 GLN A CA 1 ATOM 1606 C C . GLN A 1 203 ? 10.233 10.346 23.192 1.00 54.94 ? 461 GLN A C 1 ATOM 1607 O O . GLN A 1 203 ? 11.025 10.108 22.292 1.00 55.67 ? 461 GLN A O 1 ATOM 1608 C CB . GLN A 1 203 ? 10.600 12.691 23.912 1.00 59.47 ? 461 GLN A CB 1 ATOM 1609 C CG . GLN A 1 203 ? 9.206 13.254 23.743 1.00 67.38 ? 461 GLN A CG 1 ATOM 1610 C CD . GLN A 1 203 ? 9.212 14.765 23.824 1.00 71.20 ? 461 GLN A CD 1 ATOM 1611 O OE1 . GLN A 1 203 ? 10.102 15.416 23.277 1.00 76.30 ? 461 GLN A OE1 1 ATOM 1612 N NE2 . GLN A 1 203 ? 8.246 15.331 24.538 1.00 72.19 ? 461 GLN A NE2 1 ATOM 1613 N N . LYS A 1 204 ? 9.019 9.802 23.246 1.00 53.19 ? 462 LYS A N 1 ATOM 1614 C CA . LYS A 1 204 ? 8.473 9.007 22.145 1.00 51.67 ? 462 LYS A CA 1 ATOM 1615 C C . LYS A 1 204 ? 7.143 9.596 21.808 1.00 54.24 ? 462 LYS A C 1 ATOM 1616 O O . LYS A 1 204 ? 6.411 10.051 22.699 1.00 53.23 ? 462 LYS A O 1 ATOM 1617 C CB . LYS A 1 204 ? 8.245 7.549 22.514 1.00 49.60 ? 462 LYS A CB 1 ATOM 1618 C CG . LYS A 1 204 ? 9.482 6.752 22.845 1.00 52.66 ? 462 LYS A CG 1 ATOM 1619 C CD . LYS A 1 204 ? 10.517 6.704 21.742 1.00 53.83 ? 462 LYS A CD 1 ATOM 1620 C CE . LYS A 1 204 ? 11.720 5.916 22.236 1.00 57.79 ? 462 LYS A CE 1 ATOM 1621 N NZ . LYS A 1 204 ? 12.818 5.847 21.238 1.00 62.34 ? 462 LYS A NZ 1 ATOM 1622 N N . SER A 1 205 ? 6.826 9.579 20.518 1.00 58.27 ? 463 SER A N 1 ATOM 1623 C CA . SER A 1 205 ? 5.648 10.265 20.023 1.00 60.82 ? 463 SER A CA 1 ATOM 1624 C C . SER A 1 205 ? 4.606 9.279 19.546 1.00 58.14 ? 463 SER A C 1 ATOM 1625 O O . SER A 1 205 ? 4.910 8.143 19.218 1.00 61.54 ? 463 SER A O 1 ATOM 1626 C CB . SER A 1 205 ? 6.027 11.257 18.923 1.00 63.07 ? 463 SER A CB 1 ATOM 1627 O OG . SER A 1 205 ? 6.475 12.470 19.512 1.00 69.12 ? 463 SER A OG 1 ATOM 1628 N N . LEU A 1 206 ? 3.365 9.732 19.549 1.00 59.54 ? 464 LEU A N 1 ATOM 1629 C CA . LEU A 1 206 ? 2.231 8.927 19.140 1.00 63.20 ? 464 LEU A CA 1 ATOM 1630 C C . LEU A 1 206 ? 1.312 9.841 18.354 1.00 61.11 ? 464 LEU A C 1 ATOM 1631 O O . LEU A 1 206 ? 0.967 10.952 18.824 1.00 58.21 ? 464 LEU A O 1 ATOM 1632 C CB . LEU A 1 206 ? 1.473 8.401 20.377 1.00 67.72 ? 464 LEU A CB 1 ATOM 1633 C CG . LEU A 1 206 ? 1.009 6.934 20.472 1.00 69.16 ? 464 LEU A CG 1 ATOM 1634 C CD1 . LEU A 1 206 ? -0.307 6.855 21.228 1.00 71.99 ? 464 LEU A CD1 1 ATOM 1635 C CD2 . LEU A 1 206 ? 0.894 6.208 19.143 1.00 69.56 ? 464 LEU A CD2 1 ATOM 1636 N N . SER A 1 207 ? 0.927 9.392 17.161 1.00 59.34 ? 465 SER A N 1 ATOM 1637 C CA . SER A 1 207 ? -0.176 10.029 16.442 1.00 61.97 ? 465 SER A CA 1 ATOM 1638 C C . SER A 1 207 ? -0.877 9.031 15.543 1.00 61.81 ? 465 SER A C 1 ATOM 1639 O O . SER A 1 207 ? -0.368 7.932 15.290 1.00 63.23 ? 465 SER A O 1 ATOM 1640 C CB . SER A 1 207 ? 0.326 11.215 15.630 1.00 62.40 ? 465 SER A CB 1 ATOM 1641 O OG . SER A 1 207 ? 1.341 10.788 14.749 1.00 60.57 ? 465 SER A OG 1 ATOM 1642 N N . LEU A 1 208 ? -2.059 9.410 15.071 1.00 68.17 ? 466 LEU A N 1 ATOM 1643 C CA . LEU A 1 208 ? -2.812 8.559 14.159 1.00 74.48 ? 466 LEU A CA 1 ATOM 1644 C C . LEU A 1 208 ? -2.025 8.499 12.862 1.00 80.63 ? 466 LEU A C 1 ATOM 1645 O O . LEU A 1 208 ? -1.800 9.541 12.241 1.00 80.76 ? 466 LEU A O 1 ATOM 1646 C CB . LEU A 1 208 ? -4.211 9.125 13.935 1.00 74.10 ? 466 LEU A CB 1 ATOM 1647 C CG . LEU A 1 208 ? -5.133 8.333 12.999 1.00 77.91 ? 466 LEU A CG 1 ATOM 1648 C CD1 . LEU A 1 208 ? -4.961 6.822 13.113 1.00 77.98 ? 466 LEU A CD1 1 ATOM 1649 C CD2 . LEU A 1 208 ? -6.577 8.730 13.263 1.00 77.42 ? 466 LEU A CD2 1 ATOM 1650 N N . SER A 1 209 ? -1.595 7.285 12.489 1.00 88.22 ? 467 SER A N 1 ATOM 1651 C CA . SER A 1 209 ? -0.596 7.034 11.418 1.00 93.27 ? 467 SER A CA 1 ATOM 1652 C C . SER A 1 209 ? -0.353 8.188 10.431 1.00 90.58 ? 467 SER A C 1 ATOM 1653 O O . SER A 1 209 ? -1.118 8.393 9.487 1.00 86.76 ? 467 SER A O 1 ATOM 1654 C CB . SER A 1 209 ? -0.950 5.750 10.646 1.00 94.70 ? 467 SER A CB 1 ATOM 1655 O OG . SER A 1 209 ? -2.303 5.745 10.227 1.00 92.57 ? 467 SER A OG 1 ATOM 1656 N N . SER B 2 1 ? -0.222 -5.802 67.868 1.00 84.79 ? 262 SER B N 1 ATOM 1657 C CA . SER B 2 1 ? -1.262 -5.140 67.021 1.00 83.94 ? 262 SER B CA 1 ATOM 1658 C C . SER B 2 1 ? -2.045 -6.151 66.177 1.00 86.58 ? 262 SER B C 1 ATOM 1659 O O . SER B 2 1 ? -1.541 -7.227 65.860 1.00 88.58 ? 262 SER B O 1 ATOM 1660 C CB . SER B 2 1 ? -0.623 -4.059 66.132 1.00 82.54 ? 262 SER B CB 1 ATOM 1661 O OG . SER B 2 1 ? 0.778 -4.267 65.953 1.00 72.13 ? 262 SER B OG 1 ATOM 1662 N N . VAL B 2 2 ? -3.286 -5.797 65.845 1.00 86.86 ? 263 VAL B N 1 ATOM 1663 C CA . VAL B 2 2 ? -4.134 -6.589 64.951 1.00 90.54 ? 263 VAL B CA 1 ATOM 1664 C C . VAL B 2 2 ? -4.075 -6.026 63.526 1.00 92.75 ? 263 VAL B C 1 ATOM 1665 O O . VAL B 2 2 ? -3.851 -4.826 63.327 1.00 95.40 ? 263 VAL B O 1 ATOM 1666 C CB . VAL B 2 2 ? -5.609 -6.598 65.427 1.00 94.84 ? 263 VAL B CB 1 ATOM 1667 C CG1 . VAL B 2 2 ? -6.483 -7.482 64.533 1.00 93.72 ? 263 VAL B CG1 1 ATOM 1668 C CG2 . VAL B 2 2 ? -5.693 -7.051 66.877 1.00 95.80 ? 263 VAL B CG2 1 ATOM 1669 N N . PHE B 2 3 ? -4.262 -6.912 62.544 1.00 90.50 ? 264 PHE B N 1 ATOM 1670 C CA . PHE B 2 3 ? -4.370 -6.540 61.131 1.00 77.44 ? 264 PHE B CA 1 ATOM 1671 C C . PHE B 2 3 ? -5.399 -7.421 60.457 1.00 69.98 ? 264 PHE B C 1 ATOM 1672 O O . PHE B 2 3 ? -5.320 -8.639 60.515 1.00 68.90 ? 264 PHE B O 1 ATOM 1673 C CB . PHE B 2 3 ? -3.018 -6.637 60.454 1.00 75.95 ? 264 PHE B CB 1 ATOM 1674 C CG . PHE B 2 3 ? -2.021 -5.682 61.023 1.00 78.26 ? 264 PHE B CG 1 ATOM 1675 C CD1 . PHE B 2 3 ? -2.151 -4.322 60.791 1.00 79.50 ? 264 PHE B CD1 1 ATOM 1676 C CD2 . PHE B 2 3 ? -0.994 -6.126 61.826 1.00 77.24 ? 264 PHE B CD2 1 ATOM 1677 C CE1 . PHE B 2 3 ? -1.255 -3.423 61.327 1.00 83.74 ? 264 PHE B CE1 1 ATOM 1678 C CE2 . PHE B 2 3 ? -0.088 -5.234 62.366 1.00 80.32 ? 264 PHE B CE2 1 ATOM 1679 C CZ . PHE B 2 3 ? -0.217 -3.879 62.115 1.00 85.14 ? 264 PHE B CZ 1 ATOM 1680 N N . LEU B 2 4 ? -6.396 -6.781 59.868 1.00 67.21 ? 265 LEU B N 1 ATOM 1681 C CA . LEU B 2 4 ? -7.535 -7.465 59.306 1.00 63.88 ? 265 LEU B CA 1 ATOM 1682 C C . LEU B 2 4 ? -7.407 -7.358 57.805 1.00 66.07 ? 265 LEU B C 1 ATOM 1683 O O . LEU B 2 4 ? -7.009 -6.312 57.291 1.00 69.90 ? 265 LEU B O 1 ATOM 1684 C CB . LEU B 2 4 ? -8.823 -6.817 59.788 1.00 62.12 ? 265 LEU B CB 1 ATOM 1685 C CG . LEU B 2 4 ? -10.110 -7.563 59.448 1.00 70.06 ? 265 LEU B CG 1 ATOM 1686 C CD1 . LEU B 2 4 ? -10.004 -9.046 59.785 1.00 74.62 ? 265 LEU B CD1 1 ATOM 1687 C CD2 . LEU B 2 4 ? -11.302 -6.945 60.167 1.00 69.21 ? 265 LEU B CD2 1 ATOM 1688 N N . PHE B 2 5 ? -7.711 -8.452 57.109 1.00 62.68 ? 266 PHE B N 1 ATOM 1689 C CA . PHE B 2 5 ? -7.480 -8.548 55.676 1.00 58.57 ? 266 PHE B CA 1 ATOM 1690 C C . PHE B 2 5 ? -8.697 -9.052 54.955 1.00 57.13 ? 266 PHE B C 1 ATOM 1691 O O . PHE B 2 5 ? -9.388 -9.948 55.453 1.00 55.02 ? 266 PHE B O 1 ATOM 1692 C CB . PHE B 2 5 ? -6.354 -9.494 55.384 1.00 60.03 ? 266 PHE B CB 1 ATOM 1693 C CG . PHE B 2 5 ? -5.033 -8.987 55.818 1.00 62.69 ? 266 PHE B CG 1 ATOM 1694 C CD1 . PHE B 2 5 ? -4.287 -8.192 54.978 1.00 59.90 ? 266 PHE B CD1 1 ATOM 1695 C CD2 . PHE B 2 5 ? -4.532 -9.309 57.069 1.00 64.23 ? 266 PHE B CD2 1 ATOM 1696 C CE1 . PHE B 2 5 ? -3.052 -7.726 55.373 1.00 66.54 ? 266 PHE B CE1 1 ATOM 1697 C CE2 . PHE B 2 5 ? -3.290 -8.851 57.473 1.00 64.98 ? 266 PHE B CE2 1 ATOM 1698 C CZ . PHE B 2 5 ? -2.553 -8.048 56.626 1.00 67.04 ? 266 PHE B CZ 1 ATOM 1699 N N . PRO B 2 6 ? -8.951 -8.492 53.755 1.00 51.81 ? 267 PRO B N 1 ATOM 1700 C CA . PRO B 2 6 ? -10.131 -8.859 53.006 1.00 46.44 ? 267 PRO B CA 1 ATOM 1701 C C . PRO B 2 6 ? -9.885 -10.157 52.251 1.00 45.95 ? 267 PRO B C 1 ATOM 1702 O O . PRO B 2 6 ? -8.742 -10.623 52.178 1.00 45.07 ? 267 PRO B O 1 ATOM 1703 C CB . PRO B 2 6 ? -10.298 -7.680 52.051 1.00 44.14 ? 267 PRO B CB 1 ATOM 1704 C CG . PRO B 2 6 ? -8.924 -7.219 51.793 1.00 44.68 ? 267 PRO B CG 1 ATOM 1705 C CD . PRO B 2 6 ? -8.101 -7.545 53.008 1.00 47.21 ? 267 PRO B CD 1 ATOM 1706 N N . PRO B 2 7 ? -10.944 -10.728 51.671 1.00 44.86 ? 268 PRO B N 1 ATOM 1707 C CA . PRO B 2 7 ? -10.761 -11.844 50.772 1.00 45.77 ? 268 PRO B CA 1 ATOM 1708 C C . PRO B 2 7 ? -10.139 -11.421 49.442 1.00 49.63 ? 268 PRO B C 1 ATOM 1709 O O . PRO B 2 7 ? -10.008 -10.220 49.152 1.00 48.73 ? 268 PRO B O 1 ATOM 1710 C CB . PRO B 2 7 ? -12.184 -12.348 50.551 1.00 45.71 ? 268 PRO B CB 1 ATOM 1711 C CG . PRO B 2 7 ? -13.029 -11.135 50.695 1.00 46.47 ? 268 PRO B CG 1 ATOM 1712 C CD . PRO B 2 7 ? -12.341 -10.257 51.697 1.00 45.86 ? 268 PRO B CD 1 ATOM 1713 N N . LYS B 2 8 ? -9.738 -12.420 48.658 1.00 51.41 ? 269 LYS B N 1 ATOM 1714 C CA . LYS B 2 8 ? -9.177 -12.208 47.339 1.00 49.68 ? 269 LYS B CA 1 ATOM 1715 C C . LYS B 2 8 ? -10.331 -11.927 46.429 1.00 47.25 ? 269 LYS B C 1 ATOM 1716 O O . LYS B 2 8 ? -11.341 -12.622 46.496 1.00 46.41 ? 269 LYS B O 1 ATOM 1717 C CB . LYS B 2 8 ? -8.474 -13.462 46.840 1.00 54.05 ? 269 LYS B CB 1 ATOM 1718 C CG . LYS B 2 8 ? -7.214 -13.790 47.601 1.00 59.28 ? 269 LYS B CG 1 ATOM 1719 C CD . LYS B 2 8 ? -6.039 -12.953 47.114 1.00 64.44 ? 269 LYS B CD 1 ATOM 1720 C CE . LYS B 2 8 ? -5.100 -12.560 48.253 1.00 70.42 ? 269 LYS B CE 1 ATOM 1721 N NZ . LYS B 2 8 ? -4.840 -13.667 49.221 1.00 70.85 ? 269 LYS B NZ 1 ATOM 1722 N N . PRO B 2 9 ? -10.189 -10.923 45.561 1.00 42.28 ? 270 PRO B N 1 ATOM 1723 C CA . PRO B 2 9 ? -11.268 -10.566 44.652 1.00 43.44 ? 270 PRO B CA 1 ATOM 1724 C C . PRO B 2 9 ? -11.837 -11.759 43.925 1.00 42.66 ? 270 PRO B C 1 ATOM 1725 O O . PRO B 2 9 ? -13.046 -11.901 43.815 1.00 48.21 ? 270 PRO B O 1 ATOM 1726 C CB . PRO B 2 9 ? -10.585 -9.623 43.655 1.00 43.35 ? 270 PRO B CB 1 ATOM 1727 C CG . PRO B 2 9 ? -9.501 -8.977 44.449 1.00 42.76 ? 270 PRO B CG 1 ATOM 1728 C CD . PRO B 2 9 ? -8.995 -10.088 45.346 1.00 43.46 ? 270 PRO B CD 1 ATOM 1729 N N . LYS B 2 10 ? -10.968 -12.607 43.415 1.00 44.32 ? 271 LYS B N 1 ATOM 1730 C CA . LYS B 2 10 ? -11.408 -13.750 42.633 1.00 45.37 ? 271 LYS B CA 1 ATOM 1731 C C . LYS B 2 10 ? -12.278 -14.688 43.492 1.00 45.86 ? 271 LYS B C 1 ATOM 1732 O O . LYS B 2 10 ? -13.300 -15.215 43.038 1.00 48.60 ? 271 LYS B O 1 ATOM 1733 C CB . LYS B 2 10 ? -10.182 -14.465 42.089 1.00 45.83 ? 271 LYS B CB 1 ATOM 1734 C CG . LYS B 2 10 ? -10.492 -15.577 41.125 1.00 50.97 ? 271 LYS B CG 1 ATOM 1735 C CD . LYS B 2 10 ? -9.216 -16.209 40.593 1.00 54.43 ? 271 LYS B CD 1 ATOM 1736 C CE . LYS B 2 10 ? -9.540 -17.244 39.522 1.00 58.84 ? 271 LYS B CE 1 ATOM 1737 N NZ . LYS B 2 10 ? -8.367 -18.102 39.184 1.00 64.21 ? 271 LYS B NZ 1 ATOM 1738 N N . ASP B 2 11 ? -11.900 -14.839 44.753 1.00 43.59 ? 272 ASP B N 1 ATOM 1739 C CA . ASP B 2 11 ? -12.582 -15.747 45.671 1.00 44.80 ? 272 ASP B CA 1 ATOM 1740 C C . ASP B 2 11 ? -14.020 -15.341 45.946 1.00 47.16 ? 272 ASP B C 1 ATOM 1741 O O . ASP B 2 11 ? -14.875 -16.214 46.140 1.00 47.90 ? 272 ASP B O 1 ATOM 1742 C CB . ASP B 2 11 ? -11.782 -15.894 47.000 1.00 45.33 ? 272 ASP B CB 1 ATOM 1743 C CG . ASP B 2 11 ? -10.428 -16.545 46.791 1.00 44.29 ? 272 ASP B CG 1 ATOM 1744 O OD1 . ASP B 2 11 ? -10.185 -17.030 45.679 1.00 48.38 ? 272 ASP B OD1 1 ATOM 1745 O OD2 . ASP B 2 11 ? -9.581 -16.570 47.700 1.00 48.35 ? 272 ASP B OD2 1 ATOM 1746 N N . THR B 2 12 ? -14.290 -14.032 45.965 1.00 46.61 ? 273 THR B N 1 ATOM 1747 C CA . THR B 2 12 ? -15.643 -13.533 46.236 1.00 46.30 ? 273 THR B CA 1 ATOM 1748 C C . THR B 2 12 ? -16.508 -13.588 45.005 1.00 43.71 ? 273 THR B C 1 ATOM 1749 O O . THR B 2 12 ? -17.734 -13.466 45.104 1.00 43.89 ? 273 THR B O 1 ATOM 1750 C CB . THR B 2 12 ? -15.663 -12.084 46.820 1.00 48.86 ? 273 THR B CB 1 ATOM 1751 O OG1 . THR B 2 12 ? -15.065 -11.149 45.916 1.00 51.48 ? 273 THR B OG1 1 ATOM 1752 C CG2 . THR B 2 12 ? -14.899 -12.020 48.123 1.00 49.98 ? 273 THR B CG2 1 ATOM 1753 N N . LEU B 2 13 ? -15.889 -13.778 43.842 1.00 43.85 ? 274 LEU B N 1 ATOM 1754 C CA . LEU B 2 13 ? -16.614 -13.691 42.580 1.00 43.15 ? 274 LEU B CA 1 ATOM 1755 C C . LEU B 2 13 ? -17.045 -15.037 41.980 1.00 47.75 ? 274 LEU B C 1 ATOM 1756 O O . LEU B 2 13 ? -17.906 -15.064 41.097 1.00 48.15 ? 274 LEU B O 1 ATOM 1757 C CB . LEU B 2 13 ? -15.787 -12.914 41.568 1.00 41.81 ? 274 LEU B CB 1 ATOM 1758 C CG . LEU B 2 13 ? -15.609 -11.437 41.898 1.00 42.32 ? 274 LEU B CG 1 ATOM 1759 C CD1 . LEU B 2 13 ? -14.626 -10.800 40.931 1.00 40.67 ? 274 LEU B CD1 1 ATOM 1760 C CD2 . LEU B 2 13 ? -16.945 -10.682 41.904 1.00 38.59 ? 274 LEU B CD2 1 ATOM 1761 N N . MET B 2 14 ? -16.454 -16.137 42.439 1.00 52.69 ? 275 MET B N 1 ATOM 1762 C CA . MET B 2 14 ? -16.799 -17.475 41.938 1.00 51.64 ? 275 MET B CA 1 ATOM 1763 C C . MET B 2 14 ? -17.275 -18.363 43.071 1.00 51.60 ? 275 MET B C 1 ATOM 1764 O O . MET B 2 14 ? -16.556 -18.591 44.055 1.00 49.06 ? 275 MET B O 1 ATOM 1765 C CB . MET B 2 14 ? -15.602 -18.114 41.282 1.00 54.98 ? 275 MET B CB 1 ATOM 1766 C CG . MET B 2 14 ? -14.971 -17.260 40.202 1.00 57.26 ? 275 MET B CG 1 ATOM 1767 S SD . MET B 2 14 ? -13.421 -17.993 39.623 1.00 66.01 ? 275 MET B SD 1 ATOM 1768 C CE . MET B 2 14 ? -13.965 -19.639 39.135 1.00 61.13 ? 275 MET B CE 1 ATOM 1769 N N . ILE B 2 15 ? -18.503 -18.848 42.925 1.00 55.72 ? 276 ILE B N 1 ATOM 1770 C CA . ILE B 2 15 ? -19.139 -19.700 43.922 1.00 60.11 ? 276 ILE B CA 1 ATOM 1771 C C . ILE B 2 15 ? -18.258 -20.883 44.332 1.00 59.41 ? 276 ILE B C 1 ATOM 1772 O O . ILE B 2 15 ? -18.186 -21.220 45.514 1.00 57.65 ? 276 ILE B O 1 ATOM 1773 C CB . ILE B 2 15 ? -20.532 -20.159 43.418 1.00 65.57 ? 276 ILE B CB 1 ATOM 1774 C CG1 . ILE B 2 15 ? -21.592 -19.086 43.744 1.00 67.50 ? 276 ILE B CG1 1 ATOM 1775 C CG2 . ILE B 2 15 ? -20.938 -21.503 43.999 1.00 69.62 ? 276 ILE B CG2 1 ATOM 1776 C CD1 . ILE B 2 15 ? -21.650 -18.656 45.202 1.00 66.01 ? 276 ILE B CD1 1 ATOM 1777 N N . SER B 2 16 ? -17.564 -21.484 43.367 1.00 57.97 ? 277 SER B N 1 ATOM 1778 C CA . SER B 2 16 ? -16.694 -22.624 43.647 1.00 54.92 ? 277 SER B CA 1 ATOM 1779 C C . SER B 2 16 ? -15.590 -22.327 44.665 1.00 59.76 ? 277 SER B C 1 ATOM 1780 O O . SER B 2 16 ? -15.103 -23.249 45.323 1.00 59.80 ? 277 SER B O 1 ATOM 1781 C CB . SER B 2 16 ? -16.055 -23.130 42.348 1.00 59.48 ? 277 SER B CB 1 ATOM 1782 O OG . SER B 2 16 ? -15.219 -22.158 41.727 1.00 59.96 ? 277 SER B OG 1 ATOM 1783 N N . ARG B 2 17 ? -15.177 -21.060 44.793 1.00 58.39 ? 278 ARG B N 1 ATOM 1784 C CA . ARG B 2 17 ? -14.040 -20.714 45.655 1.00 55.09 ? 278 ARG B CA 1 ATOM 1785 C C . ARG B 2 17 ? -14.517 -20.286 47.036 1.00 53.74 ? 278 ARG B C 1 ATOM 1786 O O . ARG B 2 17 ? -15.701 -20.072 47.241 1.00 55.32 ? 278 ARG B O 1 ATOM 1787 C CB . ARG B 2 17 ? -13.202 -19.641 45.001 1.00 55.93 ? 278 ARG B CB 1 ATOM 1788 C CG . ARG B 2 17 ? -12.829 -19.990 43.573 1.00 57.31 ? 278 ARG B CG 1 ATOM 1789 C CD . ARG B 2 17 ? -12.140 -18.828 42.914 1.00 58.19 ? 278 ARG B CD 1 ATOM 1790 N NE . ARG B 2 17 ? -10.857 -18.574 43.550 1.00 59.47 ? 278 ARG B NE 1 ATOM 1791 C CZ . ARG B 2 17 ? -9.732 -19.212 43.249 1.00 59.41 ? 278 ARG B CZ 1 ATOM 1792 N NH1 . ARG B 2 17 ? -9.731 -20.156 42.313 1.00 59.92 ? 278 ARG B NH1 1 ATOM 1793 N NH2 . ARG B 2 17 ? -8.602 -18.891 43.875 1.00 57.88 ? 278 ARG B NH2 1 ATOM 1794 N N . THR B 2 18 ? -13.601 -20.212 47.992 1.00 56.19 ? 279 THR B N 1 ATOM 1795 C CA . THR B 2 18 ? -13.974 -19.982 49.391 1.00 58.72 ? 279 THR B CA 1 ATOM 1796 C C . THR B 2 18 ? -13.364 -18.672 49.852 1.00 55.71 ? 279 THR B C 1 ATOM 1797 O O . THR B 2 18 ? -12.151 -18.587 50.095 1.00 57.42 ? 279 THR B O 1 ATOM 1798 C CB . THR B 2 18 ? -13.529 -21.137 50.330 1.00 61.68 ? 279 THR B CB 1 ATOM 1799 O OG1 . THR B 2 18 ? -13.902 -22.393 49.759 1.00 62.52 ? 279 THR B OG1 1 ATOM 1800 C CG2 . THR B 2 18 ? -14.207 -21.020 51.704 1.00 63.32 ? 279 THR B CG2 1 ATOM 1801 N N . PRO B 2 19 ? -14.196 -17.631 49.956 1.00 52.64 ? 280 PRO B N 1 ATOM 1802 C CA . PRO B 2 19 ? -13.673 -16.340 50.383 1.00 52.25 ? 280 PRO B CA 1 ATOM 1803 C C . PRO B 2 19 ? -13.467 -16.287 51.888 1.00 50.97 ? 280 PRO B C 1 ATOM 1804 O O . PRO B 2 19 ? -14.272 -16.843 52.632 1.00 55.64 ? 280 PRO B O 1 ATOM 1805 C CB . PRO B 2 19 ? -14.760 -15.364 49.951 1.00 51.73 ? 280 PRO B CB 1 ATOM 1806 C CG . PRO B 2 19 ? -16.011 -16.169 49.951 1.00 55.18 ? 280 PRO B CG 1 ATOM 1807 C CD . PRO B 2 19 ? -15.644 -17.602 49.711 1.00 52.97 ? 280 PRO B CD 1 ATOM 1808 N N . GLU B 2 20 ? -12.409 -15.619 52.329 1.00 49.99 ? 281 GLU B N 1 ATOM 1809 C CA . GLU B 2 20 ? -12.151 -15.515 53.739 1.00 56.09 ? 281 GLU B CA 1 ATOM 1810 C C . GLU B 2 20 ? -11.442 -14.231 54.172 1.00 58.11 ? 281 GLU B C 1 ATOM 1811 O O . GLU B 2 20 ? -10.468 -13.782 53.563 1.00 53.99 ? 281 GLU B O 1 ATOM 1812 C CB . GLU B 2 20 ? -11.368 -16.752 54.217 1.00 56.95 ? 281 GLU B CB 1 ATOM 1813 C CG . GLU B 2 20 ? -10.123 -17.064 53.404 1.00 63.36 ? 281 GLU B CG 1 ATOM 1814 C CD . GLU B 2 20 ? -9.503 -18.438 53.685 1.00 66.66 ? 281 GLU B CD 1 ATOM 1815 O OE1 . GLU B 2 20 ? -10.231 -19.381 54.081 1.00 65.85 ? 281 GLU B OE1 1 ATOM 1816 O OE2 . GLU B 2 20 ? -8.267 -18.571 53.488 1.00 67.44 ? 281 GLU B OE2 1 ATOM 1817 N N . VAL B 2 21 ? -11.939 -13.666 55.268 1.00 59.56 ? 282 VAL B N 1 ATOM 1818 C CA . VAL B 2 21 ? -11.244 -12.575 55.942 1.00 63.82 ? 282 VAL B CA 1 ATOM 1819 C C . VAL B 2 21 ? -10.342 -13.148 57.026 1.00 62.83 ? 282 VAL B C 1 ATOM 1820 O O . VAL B 2 21 ? -10.631 -14.197 57.578 1.00 61.85 ? 282 VAL B O 1 ATOM 1821 C CB . VAL B 2 21 ? -12.224 -11.541 56.520 1.00 70.43 ? 282 VAL B CB 1 ATOM 1822 C CG1 . VAL B 2 21 ? -12.757 -10.664 55.403 1.00 73.02 ? 282 VAL B CG1 1 ATOM 1823 C CG2 . VAL B 2 21 ? -13.381 -12.215 57.243 1.00 74.07 ? 282 VAL B CG2 1 ATOM 1824 N N . THR B 2 22 ? -9.263 -12.440 57.334 1.00 61.51 ? 283 THR B N 1 ATOM 1825 C CA . THR B 2 22 ? -8.162 -13.005 58.075 1.00 62.43 ? 283 THR B CA 1 ATOM 1826 C C . THR B 2 22 ? -7.591 -12.032 59.104 1.00 66.07 ? 283 THR B C 1 ATOM 1827 O O . THR B 2 22 ? -7.045 -10.996 58.737 1.00 60.62 ? 283 THR B O 1 ATOM 1828 C CB . THR B 2 22 ? -7.044 -13.391 57.091 1.00 65.38 ? 283 THR B CB 1 ATOM 1829 O OG1 . THR B 2 22 ? -7.597 -14.178 56.034 1.00 64.55 ? 283 THR B OG1 1 ATOM 1830 C CG2 . THR B 2 22 ? -5.959 -14.172 57.776 1.00 67.86 ? 283 THR B CG2 1 ATOM 1831 N N . CYS B 2 23 ? -7.687 -12.389 60.390 1.00 72.99 ? 284 CYS B N 1 ATOM 1832 C CA . CYS B 2 23 ? -7.144 -11.569 61.481 1.00 71.86 ? 284 CYS B CA 1 ATOM 1833 C C . CYS B 2 23 ? -5.715 -12.005 61.812 1.00 73.70 ? 284 CYS B C 1 ATOM 1834 O O . CYS B 2 23 ? -5.503 -13.134 62.255 1.00 79.99 ? 284 CYS B O 1 ATOM 1835 C CB . CYS B 2 23 ? -8.029 -11.724 62.712 1.00 75.15 ? 284 CYS B CB 1 ATOM 1836 S SG . CYS B 2 23 ? -8.397 -10.229 63.672 1.00 81.18 ? 284 CYS B SG 1 ATOM 1837 N N . VAL B 2 24 ? -4.740 -11.125 61.600 1.00 71.95 ? 285 VAL B N 1 ATOM 1838 C CA . VAL B 2 24 ? -3.333 -11.444 61.852 1.00 71.37 ? 285 VAL B CA 1 ATOM 1839 C C . VAL B 2 24 ? -2.820 -10.634 63.031 1.00 78.16 ? 285 VAL B C 1 ATOM 1840 O O . VAL B 2 24 ? -2.433 -9.476 62.883 1.00 78.57 ? 285 VAL B O 1 ATOM 1841 C CB . VAL B 2 24 ? -2.454 -11.184 60.607 1.00 73.34 ? 285 VAL B CB 1 ATOM 1842 C CG1 . VAL B 2 24 ? -0.956 -11.258 60.927 1.00 73.86 ? 285 VAL B CG1 1 ATOM 1843 C CG2 . VAL B 2 24 ? -2.803 -12.180 59.512 1.00 73.98 ? 285 VAL B CG2 1 ATOM 1844 N N . VAL B 2 25 ? -2.807 -11.266 64.205 1.00 89.45 ? 286 VAL B N 1 ATOM 1845 C CA . VAL B 2 25 ? -2.298 -10.647 65.436 1.00 84.10 ? 286 VAL B CA 1 ATOM 1846 C C . VAL B 2 25 ? -0.792 -10.854 65.519 1.00 82.24 ? 286 VAL B C 1 ATOM 1847 O O . VAL B 2 25 ? -0.287 -11.882 65.094 1.00 84.85 ? 286 VAL B O 1 ATOM 1848 C CB . VAL B 2 25 ? -2.956 -11.261 66.676 1.00 80.53 ? 286 VAL B CB 1 ATOM 1849 C CG1 . VAL B 2 25 ? -2.545 -10.495 67.927 1.00 81.45 ? 286 VAL B CG1 1 ATOM 1850 C CG2 . VAL B 2 25 ? -4.474 -11.283 66.518 1.00 82.22 ? 286 VAL B CG2 1 ATOM 1851 N N . VAL B 2 26 ? -0.072 -9.889 66.072 1.00 84.34 ? 287 VAL B N 1 ATOM 1852 C CA . VAL B 2 26 ? 1.392 -9.934 66.033 1.00 92.15 ? 287 VAL B CA 1 ATOM 1853 C C . VAL B 2 26 ? 2.066 -9.372 67.295 1.00 91.57 ? 287 VAL B C 1 ATOM 1854 O O . VAL B 2 26 ? 1.401 -8.826 68.177 1.00 98.60 ? 287 VAL B O 1 ATOM 1855 C CB . VAL B 2 26 ? 1.927 -9.201 64.778 1.00 94.11 ? 287 VAL B CB 1 ATOM 1856 C CG1 . VAL B 2 26 ? 1.765 -10.065 63.539 1.00 91.64 ? 287 VAL B CG1 1 ATOM 1857 C CG2 . VAL B 2 26 ? 1.222 -7.864 64.587 1.00 96.51 ? 287 VAL B CG2 1 ATOM 1858 N N . ASP B 2 27 ? 3.387 -9.537 67.378 1.00 88.86 ? 288 ASP B N 1 ATOM 1859 C CA . ASP B 2 27 ? 4.183 -9.005 68.486 1.00 84.84 ? 288 ASP B CA 1 ATOM 1860 C C . ASP B 2 27 ? 3.719 -9.608 69.808 1.00 85.31 ? 288 ASP B C 1 ATOM 1861 O O . ASP B 2 27 ? 3.329 -10.781 69.853 1.00 87.69 ? 288 ASP B O 1 ATOM 1862 C CB . ASP B 2 27 ? 4.111 -7.473 68.524 1.00 76.87 ? 288 ASP B CB 1 ATOM 1863 N N . ASP B 2 32 ? 5.013 -14.288 74.400 1.00 92.35 ? 293 ASP B N 1 ATOM 1864 C CA . ASP B 2 32 ? 4.787 -15.547 75.120 1.00 93.97 ? 293 ASP B CA 1 ATOM 1865 C C . ASP B 2 32 ? 3.320 -15.831 75.516 1.00 95.10 ? 293 ASP B C 1 ATOM 1866 O O . ASP B 2 32 ? 3.006 -16.962 75.886 1.00 92.16 ? 293 ASP B O 1 ATOM 1867 C CB . ASP B 2 32 ? 5.706 -15.645 76.364 1.00 87.01 ? 293 ASP B CB 1 ATOM 1868 C CG . ASP B 2 32 ? 5.563 -14.452 77.322 1.00 88.04 ? 293 ASP B CG 1 ATOM 1869 O OD1 . ASP B 2 32 ? 6.476 -13.602 77.339 1.00 84.46 ? 293 ASP B OD1 1 ATOM 1870 O OD2 . ASP B 2 32 ? 4.555 -14.359 78.063 1.00 85.13 ? 293 ASP B OD2 1 ATOM 1871 N N . PRO B 2 33 ? 2.422 -14.820 75.451 1.00 98.23 ? 294 PRO B N 1 ATOM 1872 C CA . PRO B 2 33 ? 1.060 -15.063 75.992 1.00 99.29 ? 294 PRO B CA 1 ATOM 1873 C C . PRO B 2 33 ? 0.059 -15.813 75.079 1.00 92.36 ? 294 PRO B C 1 ATOM 1874 O O . PRO B 2 33 ? 0.398 -16.215 73.971 1.00 77.70 ? 294 PRO B O 1 ATOM 1875 C CB . PRO B 2 33 ? 0.536 -13.643 76.305 1.00 100.13 ? 294 PRO B CB 1 ATOM 1876 C CG . PRO B 2 33 ? 1.691 -12.710 76.110 1.00 99.20 ? 294 PRO B CG 1 ATOM 1877 C CD . PRO B 2 33 ? 2.645 -13.387 75.175 1.00 97.95 ? 294 PRO B CD 1 ATOM 1878 N N . GLU B 2 34 ? -1.162 -15.985 75.588 1.00 90.68 ? 295 GLU B N 1 ATOM 1879 C CA . GLU B 2 34 ? -2.279 -16.646 74.892 1.00 92.84 ? 295 GLU B CA 1 ATOM 1880 C C . GLU B 2 34 ? -3.286 -15.615 74.322 1.00 101.79 ? 295 GLU B C 1 ATOM 1881 O O . GLU B 2 34 ? -3.251 -14.445 74.720 1.00 106.47 ? 295 GLU B O 1 ATOM 1882 C CB . GLU B 2 34 ? -2.986 -17.592 75.869 1.00 90.78 ? 295 GLU B CB 1 ATOM 1883 C CG . GLU B 2 34 ? -3.986 -16.935 76.832 1.00 94.28 ? 295 GLU B CG 1 ATOM 1884 C CD . GLU B 2 34 ? -3.415 -15.767 77.647 1.00 97.44 ? 295 GLU B CD 1 ATOM 1885 O OE1 . GLU B 2 34 ? -2.199 -15.777 77.958 1.00 98.08 ? 295 GLU B OE1 1 ATOM 1886 O OE2 . GLU B 2 34 ? -4.179 -14.828 77.976 1.00 87.98 ? 295 GLU B OE2 1 ATOM 1887 N N . VAL B 2 35 ? -4.189 -16.046 73.424 1.00 103.96 ? 296 VAL B N 1 ATOM 1888 C CA . VAL B 2 35 ? -5.108 -15.121 72.684 1.00 98.37 ? 296 VAL B CA 1 ATOM 1889 C C . VAL B 2 35 ? -6.573 -15.626 72.535 1.00 92.43 ? 296 VAL B C 1 ATOM 1890 O O . VAL B 2 35 ? -6.840 -16.820 72.642 1.00 96.51 ? 296 VAL B O 1 ATOM 1891 C CB . VAL B 2 35 ? -4.547 -14.791 71.271 1.00 90.93 ? 296 VAL B CB 1 ATOM 1892 C CG1 . VAL B 2 35 ? -5.261 -13.590 70.668 1.00 94.91 ? 296 VAL B CG1 1 ATOM 1893 C CG2 . VAL B 2 35 ? -3.044 -14.532 71.311 1.00 86.92 ? 296 VAL B CG2 1 ATOM 1894 N N . LYS B 2 36 ? -7.516 -14.708 72.312 1.00 85.50 ? 297 LYS B N 1 ATOM 1895 C CA . LYS B 2 36 ? -8.922 -15.055 72.043 1.00 88.11 ? 297 LYS B CA 1 ATOM 1896 C C . LYS B 2 36 ? -9.432 -14.292 70.807 1.00 96.29 ? 297 LYS B C 1 ATOM 1897 O O . LYS B 2 36 ? -8.825 -13.297 70.396 1.00 105.44 ? 297 LYS B O 1 ATOM 1898 C CB . LYS B 2 36 ? -9.784 -14.702 73.253 1.00 87.89 ? 297 LYS B CB 1 ATOM 1899 C CG . LYS B 2 36 ? -11.172 -15.338 73.281 1.00 90.33 ? 297 LYS B CG 1 ATOM 1900 C CD . LYS B 2 36 ? -12.016 -14.751 74.405 1.00 91.00 ? 297 LYS B CD 1 ATOM 1901 C CE . LYS B 2 36 ? -13.300 -15.530 74.638 1.00 91.01 ? 297 LYS B CE 1 ATOM 1902 N NZ . LYS B 2 36 ? -14.171 -15.564 73.432 1.00 93.19 ? 297 LYS B NZ 1 ATOM 1903 N N . PHE B 2 37 ? -10.534 -14.759 70.213 1.00 90.48 ? 298 PHE B N 1 ATOM 1904 C CA . PHE B 2 37 ? -11.113 -14.128 69.025 1.00 83.56 ? 298 PHE B CA 1 ATOM 1905 C C . PHE B 2 37 ? -12.635 -14.139 69.082 1.00 86.81 ? 298 PHE B C 1 ATOM 1906 O O . PHE B 2 37 ? -13.240 -15.147 69.439 1.00 86.34 ? 298 PHE B O 1 ATOM 1907 C CB . PHE B 2 37 ? -10.685 -14.880 67.754 1.00 82.64 ? 298 PHE B CB 1 ATOM 1908 C CG . PHE B 2 37 ? -9.266 -14.613 67.317 1.00 79.68 ? 298 PHE B CG 1 ATOM 1909 C CD1 . PHE B 2 37 ? -8.942 -13.455 66.634 1.00 77.78 ? 298 PHE B CD1 1 ATOM 1910 C CD2 . PHE B 2 37 ? -8.260 -15.541 67.553 1.00 82.62 ? 298 PHE B CD2 1 ATOM 1911 C CE1 . PHE B 2 37 ? -7.641 -13.208 66.216 1.00 78.49 ? 298 PHE B CE1 1 ATOM 1912 C CE2 . PHE B 2 37 ? -6.954 -15.301 67.139 1.00 81.42 ? 298 PHE B CE2 1 ATOM 1913 C CZ . PHE B 2 37 ? -6.644 -14.131 66.468 1.00 79.70 ? 298 PHE B CZ 1 ATOM 1914 N N . ASN B 2 38 ? -13.244 -13.018 68.698 1.00 94.24 ? 299 ASN B N 1 ATOM 1915 C CA . ASN B 2 38 ? -14.697 -12.919 68.506 1.00 94.13 ? 299 ASN B CA 1 ATOM 1916 C C . ASN B 2 38 ? -15.007 -12.265 67.159 1.00 94.00 ? 299 ASN B C 1 ATOM 1917 O O . ASN B 2 38 ? -14.499 -11.178 66.857 1.00 89.35 ? 299 ASN B O 1 ATOM 1918 C CB . ASN B 2 38 ? -15.333 -12.080 69.613 1.00 96.31 ? 299 ASN B CB 1 ATOM 1919 C CG . ASN B 2 38 ? -15.229 -12.729 70.974 1.00 91.60 ? 299 ASN B CG 1 ATOM 1920 O OD1 . ASN B 2 38 ? -16.150 -13.409 71.408 1.00 84.67 ? 299 ASN B OD1 1 ATOM 1921 N ND2 . ASN B 2 38 ? -14.107 -12.513 71.658 1.00 86.52 ? 299 ASN B ND2 1 ATOM 1922 N N . TRP B 2 39 ? -15.845 -12.918 66.358 1.00 90.23 ? 300 TRP B N 1 ATOM 1923 C CA . TRP B 2 39 ? -16.131 -12.444 65.011 1.00 86.15 ? 300 TRP B CA 1 ATOM 1924 C C . TRP B 2 39 ? -17.578 -12.034 64.907 1.00 84.47 ? 300 TRP B C 1 ATOM 1925 O O . TRP B 2 39 ? -18.474 -12.764 65.328 1.00 82.62 ? 300 TRP B O 1 ATOM 1926 C CB . TRP B 2 39 ? -15.813 -13.513 63.960 1.00 83.66 ? 300 TRP B CB 1 ATOM 1927 C CG . TRP B 2 39 ? -14.345 -13.777 63.798 1.00 76.82 ? 300 TRP B CG 1 ATOM 1928 C CD1 . TRP B 2 39 ? -13.584 -14.633 64.535 1.00 79.20 ? 300 TRP B CD1 1 ATOM 1929 C CD2 . TRP B 2 39 ? -13.462 -13.177 62.844 1.00 73.96 ? 300 TRP B CD2 1 ATOM 1930 N NE1 . TRP B 2 39 ? -12.278 -14.605 64.104 1.00 79.31 ? 300 TRP B NE1 1 ATOM 1931 C CE2 . TRP B 2 39 ? -12.176 -13.718 63.066 1.00 76.24 ? 300 TRP B CE2 1 ATOM 1932 C CE3 . TRP B 2 39 ? -13.629 -12.232 61.830 1.00 71.00 ? 300 TRP B CE3 1 ATOM 1933 C CZ2 . TRP B 2 39 ? -11.064 -13.355 62.302 1.00 75.36 ? 300 TRP B CZ2 1 ATOM 1934 C CZ3 . TRP B 2 39 ? -12.523 -11.867 61.074 1.00 70.63 ? 300 TRP B CZ3 1 ATOM 1935 C CH2 . TRP B 2 39 ? -11.256 -12.428 61.314 1.00 73.26 ? 300 TRP B CH2 1 ATOM 1936 N N . TYR B 2 40 ? -17.794 -10.859 64.329 1.00 83.91 ? 301 TYR B N 1 ATOM 1937 C CA . TYR B 2 40 ? -19.128 -10.328 64.172 1.00 82.13 ? 301 TYR B CA 1 ATOM 1938 C C . TYR B 2 40 ? -19.339 -9.859 62.738 1.00 79.83 ? 301 TYR B C 1 ATOM 1939 O O . TYR B 2 40 ? -18.460 -9.264 62.110 1.00 77.79 ? 301 TYR B O 1 ATOM 1940 C CB . TYR B 2 40 ? -19.382 -9.167 65.138 1.00 85.93 ? 301 TYR B CB 1 ATOM 1941 C CG . TYR B 2 40 ? -18.874 -9.365 66.557 1.00 88.45 ? 301 TYR B CG 1 ATOM 1942 C CD1 . TYR B 2 40 ? -19.688 -9.903 67.560 1.00 89.73 ? 301 TYR B CD1 1 ATOM 1943 C CD2 . TYR B 2 40 ? -17.573 -8.988 66.900 1.00 91.47 ? 301 TYR B CD2 1 ATOM 1944 C CE1 . TYR B 2 40 ? -19.211 -10.063 68.858 1.00 90.67 ? 301 TYR B CE1 1 ATOM 1945 C CE2 . TYR B 2 40 ? -17.088 -9.145 68.188 1.00 91.83 ? 301 TYR B CE2 1 ATOM 1946 C CZ . TYR B 2 40 ? -17.902 -9.679 69.162 1.00 94.45 ? 301 TYR B CZ 1 ATOM 1947 O OH . TYR B 2 40 ? -17.380 -9.815 70.430 1.00 99.78 ? 301 TYR B OH 1 ATOM 1948 N N . VAL B 2 41 ? -20.537 -10.136 62.255 1.00 75.64 ? 302 VAL B N 1 ATOM 1949 C CA . VAL B 2 41 ? -20.989 -9.771 60.948 1.00 75.38 ? 302 VAL B CA 1 ATOM 1950 C C . VAL B 2 41 ? -22.132 -8.815 61.187 1.00 81.51 ? 302 VAL B C 1 ATOM 1951 O O . VAL B 2 41 ? -23.201 -9.244 61.619 1.00 83.91 ? 302 VAL B O 1 ATOM 1952 C CB . VAL B 2 41 ? -21.526 -11.022 60.228 1.00 76.51 ? 302 VAL B CB 1 ATOM 1953 C CG1 . VAL B 2 41 ? -22.221 -10.665 58.918 1.00 73.10 ? 302 VAL B CG1 1 ATOM 1954 C CG2 . VAL B 2 41 ? -20.400 -12.030 60.029 1.00 77.15 ? 302 VAL B CG2 1 ATOM 1955 N N . ASP B 2 42 ? -21.916 -7.526 60.923 1.00 86.93 ? 303 ASP B N 1 ATOM 1956 C CA . ASP B 2 42 ? -22.957 -6.502 61.134 1.00 85.57 ? 303 ASP B CA 1 ATOM 1957 C C . ASP B 2 42 ? -23.469 -6.555 62.579 1.00 86.50 ? 303 ASP B C 1 ATOM 1958 O O . ASP B 2 42 ? -24.677 -6.594 62.821 1.00 89.01 ? 303 ASP B O 1 ATOM 1959 C CB . ASP B 2 42 ? -24.120 -6.669 60.126 1.00 80.41 ? 303 ASP B CB 1 ATOM 1960 C CG . ASP B 2 42 ? -23.777 -6.159 58.727 1.00 79.26 ? 303 ASP B CG 1 ATOM 1961 O OD1 . ASP B 2 42 ? -22.692 -5.568 58.552 1.00 80.23 ? 303 ASP B OD1 1 ATOM 1962 O OD2 . ASP B 2 42 ? -24.598 -6.334 57.800 1.00 74.52 ? 303 ASP B OD2 1 ATOM 1963 N N . GLY B 2 43 ? -22.532 -6.571 63.527 1.00 89.05 ? 304 GLY B N 1 ATOM 1964 C CA . GLY B 2 43 ? -22.850 -6.731 64.946 1.00 89.46 ? 304 GLY B CA 1 ATOM 1965 C C . GLY B 2 43 ? -22.993 -8.191 65.356 1.00 87.49 ? 304 GLY B C 1 ATOM 1966 O O . GLY B 2 43 ? -22.138 -8.728 66.056 1.00 86.36 ? 304 GLY B O 1 ATOM 1967 N N . VAL B 2 44 ? -24.084 -8.825 64.927 1.00 81.97 ? 305 VAL B N 1 ATOM 1968 C CA . VAL B 2 44 ? -24.356 -10.239 65.225 1.00 80.34 ? 305 VAL B CA 1 ATOM 1969 C C . VAL B 2 44 ? -23.067 -11.061 65.285 1.00 87.53 ? 305 VAL B C 1 ATOM 1970 O O . VAL B 2 44 ? -22.311 -11.072 64.320 1.00 96.60 ? 305 VAL B O 1 ATOM 1971 C CB . VAL B 2 44 ? -25.256 -10.877 64.144 1.00 74.82 ? 305 VAL B CB 1 ATOM 1972 C CG1 . VAL B 2 44 ? -25.511 -12.352 64.455 1.00 78.73 ? 305 VAL B CG1 1 ATOM 1973 C CG2 . VAL B 2 44 ? -26.561 -10.103 63.981 1.00 72.84 ? 305 VAL B CG2 1 ATOM 1974 N N . GLU B 2 45 ? -22.808 -11.738 66.405 1.00 88.63 ? 306 GLU B N 1 ATOM 1975 C CA . GLU B 2 45 ? -21.670 -12.652 66.483 1.00 89.19 ? 306 GLU B CA 1 ATOM 1976 C C . GLU B 2 45 ? -22.017 -13.936 65.735 1.00 91.86 ? 306 GLU B C 1 ATOM 1977 O O . GLU B 2 45 ? -23.192 -14.286 65.586 1.00 89.22 ? 306 GLU B O 1 ATOM 1978 C CB . GLU B 2 45 ? -21.282 -12.972 67.932 1.00 94.12 ? 306 GLU B CB 1 ATOM 1979 C CG . GLU B 2 45 ? -19.993 -13.787 68.055 1.00 97.83 ? 306 GLU B CG 1 ATOM 1980 C CD . GLU B 2 45 ? -19.355 -13.749 69.439 1.00 99.73 ? 306 GLU B CD 1 ATOM 1981 O OE1 . GLU B 2 45 ? -18.110 -13.641 69.512 1.00 99.36 ? 306 GLU B OE1 1 ATOM 1982 O OE2 . GLU B 2 45 ? -20.081 -13.832 70.453 1.00 95.72 ? 306 GLU B OE2 1 ATOM 1983 N N . VAL B 2 46 ? -20.985 -14.613 65.243 1.00 92.74 ? 307 VAL B N 1 ATOM 1984 C CA . VAL B 2 46 ? -21.132 -15.908 64.584 1.00 91.02 ? 307 VAL B CA 1 ATOM 1985 C C . VAL B 2 46 ? -19.998 -16.809 65.075 1.00 89.56 ? 307 VAL B C 1 ATOM 1986 O O . VAL B 2 46 ? -18.971 -16.313 65.545 1.00 80.05 ? 307 VAL B O 1 ATOM 1987 C CB . VAL B 2 46 ? -21.137 -15.759 63.049 1.00 94.83 ? 307 VAL B CB 1 ATOM 1988 C CG1 . VAL B 2 46 ? -19.775 -15.294 62.544 1.00 94.83 ? 307 VAL B CG1 1 ATOM 1989 C CG2 . VAL B 2 46 ? -21.572 -17.058 62.377 1.00 95.07 ? 307 VAL B CG2 1 ATOM 1990 N N . HIS B 2 47 ? -20.195 -18.125 64.997 1.00 96.87 ? 308 HIS B N 1 ATOM 1991 C CA . HIS B 2 47 ? -19.355 -19.068 65.751 1.00 105.67 ? 308 HIS B CA 1 ATOM 1992 C C . HIS B 2 47 ? -18.715 -20.154 64.862 1.00 103.41 ? 308 HIS B C 1 ATOM 1993 O O . HIS B 2 47 ? -18.557 -21.310 65.280 1.00 106.90 ? 308 HIS B O 1 ATOM 1994 C CB . HIS B 2 47 ? -20.181 -19.699 66.898 1.00 104.85 ? 308 HIS B CB 1 ATOM 1995 C CG . HIS B 2 47 ? -21.262 -18.805 67.434 1.00 99.88 ? 308 HIS B CG 1 ATOM 1996 N ND1 . HIS B 2 47 ? -22.519 -18.742 66.869 1.00 100.43 ? 308 HIS B ND1 1 ATOM 1997 C CD2 . HIS B 2 47 ? -21.274 -17.933 68.470 1.00 97.18 ? 308 HIS B CD2 1 ATOM 1998 C CE1 . HIS B 2 47 ? -23.259 -17.874 67.536 1.00 100.29 ? 308 HIS B CE1 1 ATOM 1999 N NE2 . HIS B 2 47 ? -22.526 -17.368 68.511 1.00 101.48 ? 308 HIS B NE2 1 ATOM 2000 N N . ASN B 2 48 ? -18.309 -19.765 63.653 1.00 100.26 ? 309 ASN B N 1 ATOM 2001 C CA . ASN B 2 48 ? -17.738 -20.713 62.678 1.00 93.60 ? 309 ASN B CA 1 ATOM 2002 C C . ASN B 2 48 ? -16.356 -20.333 62.133 1.00 80.75 ? 309 ASN B C 1 ATOM 2003 O O . ASN B 2 48 ? -15.938 -20.852 61.110 1.00 78.49 ? 309 ASN B O 1 ATOM 2004 C CB . ASN B 2 48 ? -18.724 -20.941 61.519 1.00 90.63 ? 309 ASN B CB 1 ATOM 2005 C CG . ASN B 2 48 ? -19.073 -19.663 60.786 1.00 89.05 ? 309 ASN B CG 1 ATOM 2006 O OD1 . ASN B 2 48 ? -18.283 -18.715 60.746 1.00 85.46 ? 309 ASN B OD1 1 ATOM 2007 N ND2 . ASN B 2 48 ? -20.266 -19.628 60.203 1.00 84.86 ? 309 ASN B ND2 1 ATOM 2008 N N . ALA B 2 49 ? -15.650 -19.438 62.816 1.00 75.58 ? 310 ALA B N 1 ATOM 2009 C CA . ALA B 2 49 ? -14.278 -19.115 62.453 1.00 73.57 ? 310 ALA B CA 1 ATOM 2010 C C . ALA B 2 49 ? -13.370 -20.203 62.958 1.00 74.85 ? 310 ALA B C 1 ATOM 2011 O O . ALA B 2 49 ? -13.704 -20.892 63.916 1.00 82.68 ? 310 ALA B O 1 ATOM 2012 C CB . ALA B 2 49 ? -13.866 -17.790 63.056 1.00 76.84 ? 310 ALA B CB 1 ATOM 2013 N N . LYS B 2 50 ? -12.213 -20.339 62.325 1.00 75.89 ? 311 LYS B N 1 ATOM 2014 C CA . LYS B 2 50 ? -11.244 -21.360 62.684 1.00 76.89 ? 311 LYS B CA 1 ATOM 2015 C C . LYS B 2 50 ? -9.892 -20.696 62.856 1.00 76.34 ? 311 LYS B C 1 ATOM 2016 O O . LYS B 2 50 ? -9.489 -19.900 62.021 1.00 81.21 ? 311 LYS B O 1 ATOM 2017 C CB . LYS B 2 50 ? -11.181 -22.438 61.593 1.00 77.39 ? 311 LYS B CB 1 ATOM 2018 N N . THR B 2 51 ? -9.196 -21.015 63.944 1.00 79.83 ? 312 THR B N 1 ATOM 2019 C CA . THR B 2 51 ? -7.882 -20.430 64.216 1.00 81.65 ? 312 THR B CA 1 ATOM 2020 C C . THR B 2 51 ? -6.777 -21.271 63.588 1.00 85.16 ? 312 THR B C 1 ATOM 2021 O O . THR B 2 51 ? -6.765 -22.487 63.734 1.00 90.79 ? 312 THR B O 1 ATOM 2022 C CB . THR B 2 51 ? -7.621 -20.305 65.736 1.00 82.19 ? 312 THR B CB 1 ATOM 2023 O OG1 . THR B 2 51 ? -8.619 -19.462 66.337 1.00 80.28 ? 312 THR B OG1 1 ATOM 2024 C CG2 . THR B 2 51 ? -6.230 -19.723 66.012 1.00 80.13 ? 312 THR B CG2 1 ATOM 2025 N N . LYS B 2 52 ? -5.861 -20.627 62.871 1.00 92.66 ? 313 LYS B N 1 ATOM 2026 C CA . LYS B 2 52 ? -4.649 -21.302 62.408 1.00 92.79 ? 313 LYS B CA 1 ATOM 2027 C C . LYS B 2 52 ? -3.714 -21.399 63.620 1.00 97.65 ? 313 LYS B C 1 ATOM 2028 O O . LYS B 2 52 ? -3.232 -20.373 64.100 1.00 97.61 ? 313 LYS B O 1 ATOM 2029 C CB . LYS B 2 52 ? -3.983 -20.528 61.262 1.00 86.10 ? 313 LYS B CB 1 ATOM 2030 N N . PRO B 2 53 ? -3.476 -22.626 64.136 1.00 101.46 ? 314 PRO B N 1 ATOM 2031 C CA . PRO B 2 53 ? -2.718 -22.820 65.380 1.00 101.97 ? 314 PRO B CA 1 ATOM 2032 C C . PRO B 2 53 ? -1.522 -21.866 65.591 1.00 102.99 ? 314 PRO B C 1 ATOM 2033 O O . PRO B 2 53 ? -0.727 -21.643 64.660 1.00 104.93 ? 314 PRO B O 1 ATOM 2034 C CB . PRO B 2 53 ? -2.250 -24.273 65.265 1.00 97.96 ? 314 PRO B CB 1 ATOM 2035 C CG . PRO B 2 53 ? -3.356 -24.944 64.527 1.00 97.85 ? 314 PRO B CG 1 ATOM 2036 C CD . PRO B 2 53 ? -3.917 -23.920 63.574 1.00 99.71 ? 314 PRO B CD 1 ATOM 2037 N N . ARG B 2 54 ? -1.421 -21.348 66.824 1.00 93.41 ? 315 ARG B N 1 ATOM 2038 C CA . ARG B 2 54 ? -0.500 -20.268 67.233 1.00 90.32 ? 315 ARG B CA 1 ATOM 2039 C C . ARG B 2 54 ? 0.936 -20.368 66.685 1.00 92.91 ? 315 ARG B C 1 ATOM 2040 O O . ARG B 2 54 ? 1.863 -20.709 67.417 1.00 104.49 ? 315 ARG B O 1 ATOM 2041 C CB . ARG B 2 54 ? -0.471 -20.191 68.770 1.00 84.53 ? 315 ARG B CB 1 ATOM 2042 N N . GLU B 2 55 ? 1.111 -20.018 65.411 1.00 90.76 ? 316 GLU B N 1 ATOM 2043 C CA . GLU B 2 55 ? 2.360 -20.248 64.684 1.00 84.70 ? 316 GLU B CA 1 ATOM 2044 C C . GLU B 2 55 ? 3.469 -19.294 65.118 1.00 85.90 ? 316 GLU B C 1 ATOM 2045 O O . GLU B 2 55 ? 3.203 -18.324 65.826 1.00 88.55 ? 316 GLU B O 1 ATOM 2046 C CB . GLU B 2 55 ? 2.115 -20.120 63.181 1.00 85.95 ? 316 GLU B CB 1 ATOM 2047 N N . GLU B 2 56 ? 4.693 -19.560 64.643 1.00 87.30 ? 317 GLU B N 1 ATOM 2048 C CA . GLU B 2 56 ? 5.953 -19.016 65.214 1.00 85.42 ? 317 GLU B CA 1 ATOM 2049 C C . GLU B 2 56 ? 6.273 -17.549 64.894 1.00 89.14 ? 317 GLU B C 1 ATOM 2050 O O . GLU B 2 56 ? 5.443 -16.826 64.336 1.00 98.15 ? 317 GLU B O 1 ATOM 2051 C CB . GLU B 2 56 ? 7.142 -19.892 64.782 1.00 82.79 ? 317 GLU B CB 1 ATOM 2052 N N . GLN B 2 57 ? 7.482 -17.111 65.261 1.00 91.56 ? 318 GLN B N 1 ATOM 2053 C CA . GLN B 2 57 ? 7.866 -15.693 65.173 1.00 91.69 ? 318 GLN B CA 1 ATOM 2054 C C . GLN B 2 57 ? 9.341 -15.513 64.782 1.00 94.86 ? 318 GLN B C 1 ATOM 2055 O O . GLN B 2 57 ? 10.005 -16.478 64.394 1.00 88.41 ? 318 GLN B O 1 ATOM 2056 C CB . GLN B 2 57 ? 7.562 -14.982 66.504 1.00 90.66 ? 318 GLN B CB 1 ATOM 2057 C CG . GLN B 2 57 ? 6.171 -15.263 67.060 1.00 90.43 ? 318 GLN B CG 1 ATOM 2058 C CD . GLN B 2 57 ? 5.824 -14.444 68.288 1.00 86.81 ? 318 GLN B CD 1 ATOM 2059 O OE1 . GLN B 2 57 ? 6.436 -13.405 68.573 1.00 90.45 ? 318 GLN B OE1 1 ATOM 2060 N NE2 . GLN B 2 57 ? 4.823 -14.909 69.023 1.00 81.37 ? 318 GLN B NE2 1 ATOM 2061 N N . TYR B 2 58 ? 9.842 -14.277 64.877 1.00 102.66 ? 319 TYR B N 1 ATOM 2062 C CA . TYR B 2 58 ? 11.198 -13.937 64.416 1.00 110.04 ? 319 TYR B CA 1 ATOM 2063 C C . TYR B 2 58 ? 12.346 -14.042 65.456 1.00 111.15 ? 319 TYR B C 1 ATOM 2064 O O . TYR B 2 58 ? 13.227 -14.873 65.221 1.00 105.47 ? 319 TYR B O 1 ATOM 2065 C CB . TYR B 2 58 ? 11.220 -12.586 63.686 1.00 111.25 ? 319 TYR B CB 1 ATOM 2066 N N . ASN B 2 59 ? 12.421 -13.287 66.573 1.00 109.17 ? 320 ASN B N 1 ATOM 2067 C CA . ASN B 2 59 ? 11.455 -12.304 67.170 1.00 109.99 ? 320 ASN B CA 1 ATOM 2068 C C . ASN B 2 59 ? 10.287 -12.913 67.993 1.00 105.41 ? 320 ASN B C 1 ATOM 2069 O O . ASN B 2 59 ? 10.462 -13.960 68.620 1.00 94.00 ? 320 ASN B O 1 ATOM 2070 C CB . ASN B 2 59 ? 11.096 -11.116 66.215 1.00 113.38 ? 320 ASN B CB 1 ATOM 2071 C CG . ASN B 2 59 ? 9.599 -10.977 65.918 1.00 122.05 ? 320 ASN B CG 1 ATOM 2072 O OD1 . ASN B 2 59 ? 8.897 -11.974 65.738 1.00 128.13 ? 320 ASN B OD1 1 ATOM 2073 N ND2 . ASN B 2 59 ? 9.106 -9.727 65.847 1.00 128.42 ? 320 ASN B ND2 1 ATOM 2074 N N . SER B 2 60 ? 9.141 -12.240 68.050 1.00 103.58 ? 321 SER B N 1 ATOM 2075 N N . ARG B 2 63 ? 3.055 -15.126 64.994 1.00 74.25 ? 324 ARG B N 1 ATOM 2076 C CA . ARG B 2 63 ? 1.716 -14.652 64.654 1.00 77.74 ? 324 ARG B CA 1 ATOM 2077 C C . ARG B 2 63 ? 0.666 -15.695 65.004 1.00 78.67 ? 324 ARG B C 1 ATOM 2078 O O . ARG B 2 63 ? 0.839 -16.874 64.696 1.00 87.57 ? 324 ARG B O 1 ATOM 2079 C CB . ARG B 2 63 ? 1.628 -14.318 63.160 1.00 81.18 ? 324 ARG B CB 1 ATOM 2080 N N . VAL B 2 64 ? -0.419 -15.260 65.645 1.00 79.66 ? 325 VAL B N 1 ATOM 2081 C CA . VAL B 2 64 ? -1.532 -16.145 66.028 1.00 80.81 ? 325 VAL B CA 1 ATOM 2082 C C . VAL B 2 64 ? -2.798 -15.796 65.236 1.00 87.16 ? 325 VAL B C 1 ATOM 2083 O O . VAL B 2 64 ? -3.614 -14.974 65.664 1.00 91.52 ? 325 VAL B O 1 ATOM 2084 C CB . VAL B 2 64 ? -1.834 -16.050 67.535 1.00 75.87 ? 325 VAL B CB 1 ATOM 2085 N N . VAL B 2 65 ? -2.976 -16.465 64.100 1.00 87.60 ? 326 VAL B N 1 ATOM 2086 C CA . VAL B 2 65 ? -3.909 -16.008 63.057 1.00 80.89 ? 326 VAL B CA 1 ATOM 2087 C C . VAL B 2 65 ? -5.221 -16.809 63.024 1.00 72.18 ? 326 VAL B C 1 ATOM 2088 O O . VAL B 2 65 ? -5.213 -18.034 63.020 1.00 75.19 ? 326 VAL B O 1 ATOM 2089 C CB . VAL B 2 65 ? -3.214 -15.951 61.655 1.00 82.05 ? 326 VAL B CB 1 ATOM 2090 C CG1 . VAL B 2 65 ? -2.042 -16.922 61.553 1.00 84.30 ? 326 VAL B CG1 1 ATOM 2091 C CG2 . VAL B 2 65 ? -4.205 -16.174 60.513 1.00 82.55 ? 326 VAL B CG2 1 ATOM 2092 N N . SER B 2 66 ? -6.345 -16.098 63.014 1.00 66.37 ? 327 SER B N 1 ATOM 2093 C CA . SER B 2 66 ? -7.655 -16.711 62.842 1.00 65.37 ? 327 SER B CA 1 ATOM 2094 C C . SER B 2 66 ? -8.171 -16.404 61.444 1.00 72.00 ? 327 SER B C 1 ATOM 2095 O O . SER B 2 66 ? -7.787 -15.392 60.837 1.00 74.53 ? 327 SER B O 1 ATOM 2096 C CB . SER B 2 66 ? -8.636 -16.174 63.868 1.00 63.90 ? 327 SER B CB 1 ATOM 2097 O OG . SER B 2 66 ? -9.966 -16.574 63.565 1.00 68.35 ? 327 SER B OG 1 ATOM 2098 N N . VAL B 2 67 ? -9.050 -17.274 60.951 1.00 69.84 ? 328 VAL B N 1 ATOM 2099 C CA . VAL B 2 67 ? -9.562 -17.200 59.579 1.00 67.62 ? 328 VAL B CA 1 ATOM 2100 C C . VAL B 2 67 ? -11.027 -17.544 59.576 1.00 63.38 ? 328 VAL B C 1 ATOM 2101 O O . VAL B 2 67 ? -11.397 -18.655 59.941 1.00 68.54 ? 328 VAL B O 1 ATOM 2102 C CB . VAL B 2 67 ? -8.860 -18.220 58.658 1.00 66.89 ? 328 VAL B CB 1 ATOM 2103 C CG1 . VAL B 2 67 ? -9.623 -18.389 57.348 1.00 68.53 ? 328 VAL B CG1 1 ATOM 2104 C CG2 . VAL B 2 67 ? -7.426 -17.796 58.393 1.00 68.21 ? 328 VAL B CG2 1 ATOM 2105 N N . LEU B 2 68 ? -11.859 -16.598 59.161 1.00 59.09 ? 329 LEU B N 1 ATOM 2106 C CA . LEU B 2 68 ? -13.289 -16.843 59.024 1.00 58.96 ? 329 LEU B CA 1 ATOM 2107 C C . LEU B 2 68 ? -13.585 -16.934 57.550 1.00 62.24 ? 329 LEU B C 1 ATOM 2108 O O . LEU B 2 68 ? -13.064 -16.127 56.784 1.00 68.31 ? 329 LEU B O 1 ATOM 2109 C CB . LEU B 2 68 ? -14.079 -15.689 59.647 1.00 62.02 ? 329 LEU B CB 1 ATOM 2110 C CG . LEU B 2 68 ? -15.576 -15.573 59.329 1.00 67.11 ? 329 LEU B CG 1 ATOM 2111 C CD1 . LEU B 2 68 ? -16.351 -16.826 59.715 1.00 71.11 ? 329 LEU B CD1 1 ATOM 2112 C CD2 . LEU B 2 68 ? -16.173 -14.367 60.032 1.00 67.35 ? 329 LEU B CD2 1 ATOM 2113 N N . THR B 2 69 ? -14.397 -17.900 57.132 1.00 61.47 ? 330 THR B N 1 ATOM 2114 C CA . THR B 2 69 ? -14.839 -17.905 55.752 1.00 65.82 ? 330 THR B CA 1 ATOM 2115 C C . THR B 2 69 ? -16.107 -17.081 55.696 1.00 65.85 ? 330 THR B C 1 ATOM 2116 O O . THR B 2 69 ? -16.771 -16.885 56.708 1.00 66.00 ? 330 THR B O 1 ATOM 2117 C CB . THR B 2 69 ? -15.084 -19.312 55.159 1.00 68.60 ? 330 THR B CB 1 ATOM 2118 O OG1 . THR B 2 69 ? -16.440 -19.717 55.391 1.00 68.66 ? 330 THR B OG1 1 ATOM 2119 C CG2 . THR B 2 69 ? -14.097 -20.327 55.724 1.00 70.73 ? 330 THR B CG2 1 ATOM 2120 N N . VAL B 2 70 ? -16.442 -16.600 54.507 1.00 64.45 ? 331 VAL B N 1 ATOM 2121 C CA . VAL B 2 70 ? -17.585 -15.727 54.352 1.00 62.11 ? 331 VAL B CA 1 ATOM 2122 C C . VAL B 2 70 ? -18.431 -16.128 53.176 1.00 58.73 ? 331 VAL B C 1 ATOM 2123 O O . VAL B 2 70 ? -17.980 -16.820 52.266 1.00 62.25 ? 331 VAL B O 1 ATOM 2124 C CB . VAL B 2 70 ? -17.155 -14.262 54.155 1.00 63.73 ? 331 VAL B CB 1 ATOM 2125 C CG1 . VAL B 2 70 ? -16.220 -13.834 55.272 1.00 63.67 ? 331 VAL B CG1 1 ATOM 2126 C CG2 . VAL B 2 70 ? -16.487 -14.065 52.798 1.00 63.49 ? 331 VAL B CG2 1 ATOM 2127 N N . LEU B 2 71 ? -19.661 -15.655 53.199 1.00 55.10 ? 332 LEU B N 1 ATOM 2128 C CA . LEU B 2 71 ? -20.572 -15.895 52.133 1.00 58.64 ? 332 LEU B CA 1 ATOM 2129 C C . LEU B 2 71 ? -20.249 -14.892 51.066 1.00 63.96 ? 332 LEU B C 1 ATOM 2130 O O . LEU B 2 71 ? -19.737 -13.808 51.339 1.00 68.02 ? 332 LEU B O 1 ATOM 2131 C CB . LEU B 2 71 ? -22.018 -15.720 52.604 1.00 63.29 ? 332 LEU B CB 1 ATOM 2132 C CG . LEU B 2 71 ? -22.419 -16.503 53.862 1.00 65.45 ? 332 LEU B CG 1 ATOM 2133 C CD1 . LEU B 2 71 ? -23.943 -16.514 53.998 1.00 63.75 ? 332 LEU B CD1 1 ATOM 2134 C CD2 . LEU B 2 71 ? -21.856 -17.927 53.854 1.00 65.18 ? 332 LEU B CD2 1 ATOM 2135 N N . HIS B 2 72 ? -20.572 -15.256 49.839 1.00 68.72 ? 333 HIS B N 1 ATOM 2136 C CA . HIS B 2 72 ? -20.157 -14.485 48.704 1.00 66.04 ? 333 HIS B CA 1 ATOM 2137 C C . HIS B 2 72 ? -20.975 -13.215 48.727 1.00 63.40 ? 333 HIS B C 1 ATOM 2138 O O . HIS B 2 72 ? -20.434 -12.121 48.879 1.00 56.87 ? 333 HIS B O 1 ATOM 2139 C CB . HIS B 2 72 ? -20.331 -15.306 47.418 1.00 67.09 ? 333 HIS B CB 1 ATOM 2140 C CG . HIS B 2 72 ? -19.342 -16.423 47.299 1.00 71.06 ? 333 HIS B CG 1 ATOM 2141 N ND1 . HIS B 2 72 ? -19.332 -17.504 48.158 1.00 73.97 ? 333 HIS B ND1 1 ATOM 2142 C CD2 . HIS B 2 72 ? -18.293 -16.602 46.461 1.00 72.26 ? 333 HIS B CD2 1 ATOM 2143 C CE1 . HIS B 2 72 ? -18.335 -18.311 47.841 1.00 72.15 ? 333 HIS B CE1 1 ATOM 2144 N NE2 . HIS B 2 72 ? -17.691 -17.788 46.812 1.00 75.29 ? 333 HIS B NE2 1 ATOM 2145 N N . GLN B 2 73 ? -22.285 -13.371 48.642 1.00 61.98 ? 334 GLN B N 1 ATOM 2146 C CA . GLN B 2 73 ? -23.162 -12.218 48.577 1.00 65.76 ? 334 GLN B CA 1 ATOM 2147 C C . GLN B 2 73 ? -23.143 -11.328 49.824 1.00 60.42 ? 334 GLN B C 1 ATOM 2148 O O . GLN B 2 73 ? -23.494 -10.175 49.738 1.00 61.71 ? 334 GLN B O 1 ATOM 2149 C CB . GLN B 2 73 ? -24.587 -12.638 48.222 1.00 68.46 ? 334 GLN B CB 1 ATOM 2150 C CG . GLN B 2 73 ? -24.826 -12.720 46.718 1.00 74.99 ? 334 GLN B CG 1 ATOM 2151 C CD . GLN B 2 73 ? -24.711 -11.367 46.012 1.00 78.40 ? 334 GLN B CD 1 ATOM 2152 O OE1 . GLN B 2 73 ? -24.632 -10.311 46.654 1.00 76.78 ? 334 GLN B OE1 1 ATOM 2153 N NE2 . GLN B 2 73 ? -24.703 -11.395 44.680 1.00 80.19 ? 334 GLN B NE2 1 ATOM 2154 N N . ASP B 2 74 ? -22.720 -11.833 50.971 1.00 60.23 ? 335 ASP B N 1 ATOM 2155 C CA . ASP B 2 74 ? -22.594 -10.959 52.126 1.00 59.20 ? 335 ASP B CA 1 ATOM 2156 C C . ASP B 2 74 ? -21.518 -9.941 51.822 1.00 60.99 ? 335 ASP B C 1 ATOM 2157 O O . ASP B 2 74 ? -21.793 -8.746 51.820 1.00 67.84 ? 335 ASP B O 1 ATOM 2158 C CB . ASP B 2 74 ? -22.287 -11.730 53.410 1.00 61.76 ? 335 ASP B CB 1 ATOM 2159 C CG . ASP B 2 74 ? -23.517 -12.507 53.952 1.00 69.42 ? 335 ASP B CG 1 ATOM 2160 O OD1 . ASP B 2 74 ? -24.653 -12.349 53.442 1.00 68.49 ? 335 ASP B OD1 1 ATOM 2161 O OD2 . ASP B 2 74 ? -23.350 -13.288 54.906 1.00 68.22 ? 335 ASP B OD2 1 ATOM 2162 N N . TRP B 2 75 ? -20.310 -10.410 51.521 1.00 57.41 ? 336 TRP B N 1 ATOM 2163 C CA . TRP B 2 75 ? -19.190 -9.511 51.236 1.00 53.95 ? 336 TRP B CA 1 ATOM 2164 C C . TRP B 2 75 ? -19.525 -8.492 50.172 1.00 50.83 ? 336 TRP B C 1 ATOM 2165 O O . TRP B 2 75 ? -19.238 -7.311 50.339 1.00 51.38 ? 336 TRP B O 1 ATOM 2166 C CB . TRP B 2 75 ? -17.958 -10.276 50.762 1.00 51.26 ? 336 TRP B CB 1 ATOM 2167 C CG . TRP B 2 75 ? -16.838 -9.361 50.370 1.00 44.89 ? 336 TRP B CG 1 ATOM 2168 C CD1 . TRP B 2 75 ? -16.492 -8.986 49.111 1.00 45.29 ? 336 TRP B CD1 1 ATOM 2169 C CD2 . TRP B 2 75 ? -15.942 -8.687 51.252 1.00 43.45 ? 336 TRP B CD2 1 ATOM 2170 N NE1 . TRP B 2 75 ? -15.414 -8.126 49.151 1.00 47.30 ? 336 TRP B NE1 1 ATOM 2171 C CE2 . TRP B 2 75 ? -15.067 -7.923 50.459 1.00 44.81 ? 336 TRP B CE2 1 ATOM 2172 C CE3 . TRP B 2 75 ? -15.791 -8.660 52.637 1.00 45.02 ? 336 TRP B CE3 1 ATOM 2173 C CZ2 . TRP B 2 75 ? -14.054 -7.141 51.005 1.00 49.38 ? 336 TRP B CZ2 1 ATOM 2174 C CZ3 . TRP B 2 75 ? -14.785 -7.882 53.182 1.00 48.47 ? 336 TRP B CZ3 1 ATOM 2175 C CH2 . TRP B 2 75 ? -13.925 -7.133 52.366 1.00 49.24 ? 336 TRP B CH2 1 ATOM 2176 N N . LEU B 2 76 ? -20.112 -8.975 49.084 1.00 49.30 ? 337 LEU B N 1 ATOM 2177 C CA . LEU B 2 76 ? -20.508 -8.137 47.964 1.00 50.97 ? 337 LEU B CA 1 ATOM 2178 C C . LEU B 2 76 ? -21.594 -7.162 48.336 1.00 56.15 ? 337 LEU B C 1 ATOM 2179 O O . LEU B 2 76 ? -21.642 -6.077 47.768 1.00 56.59 ? 337 LEU B O 1 ATOM 2180 C CB . LEU B 2 76 ? -21.002 -8.978 46.789 1.00 48.16 ? 337 LEU B CB 1 ATOM 2181 C CG . LEU B 2 76 ? -19.910 -9.792 46.103 1.00 51.04 ? 337 LEU B CG 1 ATOM 2182 C CD1 . LEU B 2 76 ? -20.509 -10.610 44.957 1.00 51.74 ? 337 LEU B CD1 1 ATOM 2183 C CD2 . LEU B 2 76 ? -18.778 -8.891 45.618 1.00 46.00 ? 337 LEU B CD2 1 ATOM 2184 N N . ASN B 2 77 ? -22.468 -7.553 49.261 1.00 57.40 ? 338 ASN B N 1 ATOM 2185 C CA . ASN B 2 77 ? -23.504 -6.657 49.770 1.00 60.19 ? 338 ASN B CA 1 ATOM 2186 C C . ASN B 2 77 ? -23.026 -5.723 50.871 1.00 56.04 ? 338 ASN B C 1 ATOM 2187 O O . ASN B 2 77 ? -23.820 -4.984 51.418 1.00 58.79 ? 338 ASN B O 1 ATOM 2188 C CB . ASN B 2 77 ? -24.707 -7.444 50.274 1.00 61.80 ? 338 ASN B CB 1 ATOM 2189 C CG . ASN B 2 77 ? -25.438 -8.161 49.159 1.00 67.29 ? 338 ASN B CG 1 ATOM 2190 O OD1 . ASN B 2 77 ? -25.491 -7.686 48.022 1.00 73.45 ? 338 ASN B OD1 1 ATOM 2191 N ND2 . ASN B 2 77 ? -26.011 -9.315 49.480 1.00 70.87 ? 338 ASN B ND2 1 ATOM 2192 N N . GLY B 2 78 ? -21.745 -5.762 51.204 1.00 53.02 ? 339 GLY B N 1 ATOM 2193 C CA . GLY B 2 78 ? -21.150 -4.754 52.073 1.00 55.74 ? 339 GLY B CA 1 ATOM 2194 C C . GLY B 2 78 ? -21.105 -5.013 53.569 1.00 60.59 ? 339 GLY B C 1 ATOM 2195 O O . GLY B 2 78 ? -20.680 -4.133 54.322 1.00 64.56 ? 339 GLY B O 1 ATOM 2196 N N . LYS B 2 79 ? -21.500 -6.204 54.020 1.00 62.67 ? 340 LYS B N 1 ATOM 2197 C CA . LYS B 2 79 ? -21.551 -6.479 55.459 1.00 63.82 ? 340 LYS B CA 1 ATOM 2198 C C . LYS B 2 79 ? -20.196 -6.216 56.120 1.00 65.22 ? 340 LYS B C 1 ATOM 2199 O O . LYS B 2 79 ? -19.153 -6.435 55.514 1.00 62.08 ? 340 LYS B O 1 ATOM 2200 C CB . LYS B 2 79 ? -21.996 -7.913 55.721 1.00 65.35 ? 340 LYS B CB 1 ATOM 2201 C CG . LYS B 2 79 ? -23.443 -8.181 55.356 1.00 70.03 ? 340 LYS B CG 1 ATOM 2202 C CD . LYS B 2 79 ? -23.923 -9.492 55.967 1.00 77.50 ? 340 LYS B CD 1 ATOM 2203 C CE . LYS B 2 79 ? -25.426 -9.698 55.830 1.00 82.69 ? 340 LYS B CE 1 ATOM 2204 N NZ . LYS B 2 79 ? -25.944 -9.389 54.463 1.00 88.01 ? 340 LYS B NZ 1 ATOM 2205 N N . GLU B 2 80 ? -20.214 -5.703 57.348 1.00 69.38 ? 341 GLU B N 1 ATOM 2206 C CA . GLU B 2 80 ? -18.971 -5.415 58.069 1.00 70.02 ? 341 GLU B CA 1 ATOM 2207 C C . GLU B 2 80 ? -18.536 -6.685 58.809 1.00 67.62 ? 341 GLU B C 1 ATOM 2208 O O . GLU B 2 80 ? -19.366 -7.464 59.279 1.00 67.86 ? 341 GLU B O 1 ATOM 2209 C CB . GLU B 2 80 ? -19.133 -4.237 59.044 1.00 70.13 ? 341 GLU B CB 1 ATOM 2210 C CG . GLU B 2 80 ? -19.835 -3.007 58.473 1.00 72.33 ? 341 GLU B CG 1 ATOM 2211 N N . TYR B 2 81 ? -17.232 -6.895 58.881 1.00 60.50 ? 342 TYR B N 1 ATOM 2212 C CA . TYR B 2 81 ? -16.685 -8.063 59.518 1.00 62.55 ? 342 TYR B CA 1 ATOM 2213 C C . TYR B 2 81 ? -15.754 -7.529 60.609 1.00 67.68 ? 342 TYR B C 1 ATOM 2214 O O . TYR B 2 81 ? -14.706 -6.923 60.318 1.00 64.87 ? 342 TYR B O 1 ATOM 2215 C CB . TYR B 2 81 ? -15.982 -8.979 58.480 1.00 60.34 ? 342 TYR B CB 1 ATOM 2216 C CG . TYR B 2 81 ? -16.965 -9.677 57.528 1.00 58.85 ? 342 TYR B CG 1 ATOM 2217 C CD1 . TYR B 2 81 ? -17.493 -9.011 56.431 1.00 57.44 ? 342 TYR B CD1 1 ATOM 2218 C CD2 . TYR B 2 81 ? -17.395 -10.989 57.748 1.00 59.20 ? 342 TYR B CD2 1 ATOM 2219 C CE1 . TYR B 2 81 ? -18.402 -9.619 55.576 1.00 53.19 ? 342 TYR B CE1 1 ATOM 2220 C CE2 . TYR B 2 81 ? -18.315 -11.606 56.892 1.00 57.05 ? 342 TYR B CE2 1 ATOM 2221 C CZ . TYR B 2 81 ? -18.809 -10.917 55.801 1.00 53.10 ? 342 TYR B CZ 1 ATOM 2222 O OH . TYR B 2 81 ? -19.728 -11.493 54.944 1.00 50.09 ? 342 TYR B OH 1 ATOM 2223 N N . LYS B 2 82 ? -16.177 -7.719 61.864 1.00 74.04 ? 343 LYS B N 1 ATOM 2224 C CA . LYS B 2 82 ? -15.460 -7.208 63.034 1.00 77.14 ? 343 LYS B CA 1 ATOM 2225 C C . LYS B 2 82 ? -14.673 -8.324 63.715 1.00 79.68 ? 343 LYS B C 1 ATOM 2226 O O . LYS B 2 82 ? -15.194 -9.421 63.920 1.00 75.75 ? 343 LYS B O 1 ATOM 2227 C CB . LYS B 2 82 ? -16.446 -6.587 64.028 1.00 77.88 ? 343 LYS B CB 1 ATOM 2228 N N . CYS B 2 83 ? -13.429 -8.016 64.071 1.00 80.55 ? 344 CYS B N 1 ATOM 2229 C CA . CYS B 2 83 ? -12.527 -8.945 64.728 1.00 86.66 ? 344 CYS B CA 1 ATOM 2230 C C . CYS B 2 83 ? -12.101 -8.415 66.120 1.00 102.81 ? 344 CYS B C 1 ATOM 2231 O O . CYS B 2 83 ? -11.204 -7.563 66.214 1.00 105.74 ? 344 CYS B O 1 ATOM 2232 C CB . CYS B 2 83 ? -11.294 -9.147 63.842 1.00 84.53 ? 344 CYS B CB 1 ATOM 2233 S SG . CYS B 2 83 ? -10.330 -10.616 64.255 1.00 80.25 ? 344 CYS B SG 1 ATOM 2234 N N . LYS B 2 84 ? -12.738 -8.920 67.187 1.00 109.60 ? 345 LYS B N 1 ATOM 2235 C CA . LYS B 2 84 ? -12.392 -8.550 68.579 1.00 105.51 ? 345 LYS B CA 1 ATOM 2236 C C . LYS B 2 84 ? -11.348 -9.511 69.164 1.00 102.84 ? 345 LYS B C 1 ATOM 2237 O O . LYS B 2 84 ? -11.580 -10.718 69.225 1.00 99.06 ? 345 LYS B O 1 ATOM 2238 C CB . LYS B 2 84 ? -13.642 -8.542 69.470 1.00 100.72 ? 345 LYS B CB 1 ATOM 2239 N N . VAL B 2 85 ? -10.214 -8.962 69.601 1.00 102.78 ? 346 VAL B N 1 ATOM 2240 C CA . VAL B 2 85 ? -9.075 -9.750 70.090 1.00 104.18 ? 346 VAL B CA 1 ATOM 2241 C C . VAL B 2 85 ? -8.776 -9.511 71.581 1.00 112.09 ? 346 VAL B C 1 ATOM 2242 O O . VAL B 2 85 ? -8.217 -8.465 71.935 1.00 115.48 ? 346 VAL B O 1 ATOM 2243 C CB . VAL B 2 85 ? -7.802 -9.391 69.296 1.00 97.37 ? 346 VAL B CB 1 ATOM 2244 C CG1 . VAL B 2 85 ? -6.607 -10.212 69.772 1.00 96.53 ? 346 VAL B CG1 1 ATOM 2245 C CG2 . VAL B 2 85 ? -8.043 -9.583 67.812 1.00 97.26 ? 346 VAL B CG2 1 ATOM 2246 N N . SER B 2 86 ? -9.114 -10.480 72.441 1.00 108.74 ? 347 SER B N 1 ATOM 2247 C CA . SER B 2 86 ? -8.810 -10.389 73.884 1.00 103.83 ? 347 SER B CA 1 ATOM 2248 C C . SER B 2 86 ? -7.387 -10.863 74.215 1.00 105.53 ? 347 SER B C 1 ATOM 2249 O O . SER B 2 86 ? -6.892 -11.825 73.632 1.00 105.06 ? 347 SER B O 1 ATOM 2250 C CB . SER B 2 86 ? -9.810 -11.205 74.706 1.00 101.37 ? 347 SER B CB 1 ATOM 2251 O OG . SER B 2 86 ? -11.147 -10.952 74.315 1.00 99.27 ? 347 SER B OG 1 ATOM 2252 N N . ASN B 2 87 ? -6.741 -10.183 75.159 1.00 113.98 ? 348 ASN B N 1 ATOM 2253 C CA . ASN B 2 87 ? -5.418 -10.586 75.654 1.00 117.61 ? 348 ASN B CA 1 ATOM 2254 C C . ASN B 2 87 ? -5.039 -9.864 76.960 1.00 116.49 ? 348 ASN B C 1 ATOM 2255 O O . ASN B 2 87 ? -5.142 -8.632 77.058 1.00 116.60 ? 348 ASN B O 1 ATOM 2256 C CB . ASN B 2 87 ? -4.338 -10.344 74.583 1.00 115.45 ? 348 ASN B CB 1 ATOM 2257 C CG . ASN B 2 87 ? -2.979 -10.917 74.970 1.00 116.36 ? 348 ASN B CG 1 ATOM 2258 O OD1 . ASN B 2 87 ? -1.938 -10.329 74.669 1.00 108.38 ? 348 ASN B OD1 1 ATOM 2259 N ND2 . ASN B 2 87 ? -2.983 -12.071 75.637 1.00 117.14 ? 348 ASN B ND2 1 ATOM 2260 N N . LYS B 2 88 ? -4.596 -10.640 77.951 1.00 114.94 ? 349 LYS B N 1 ATOM 2261 C CA . LYS B 2 88 ? -4.142 -10.097 79.237 1.00 113.87 ? 349 LYS B CA 1 ATOM 2262 C C . LYS B 2 88 ? -3.030 -9.051 79.067 1.00 113.24 ? 349 LYS B C 1 ATOM 2263 O O . LYS B 2 88 ? -3.092 -7.984 79.675 1.00 113.20 ? 349 LYS B O 1 ATOM 2264 C CB . LYS B 2 88 ? -3.664 -11.224 80.165 1.00 106.84 ? 349 LYS B CB 1 ATOM 2265 N N . ALA B 2 89 ? -2.032 -9.355 78.234 1.00 109.73 ? 350 ALA B N 1 ATOM 2266 C CA . ALA B 2 89 ? -0.889 -8.457 78.013 1.00 105.46 ? 350 ALA B CA 1 ATOM 2267 C C . ALA B 2 89 ? -1.237 -7.165 77.248 1.00 110.63 ? 350 ALA B C 1 ATOM 2268 O O . ALA B 2 89 ? -0.523 -6.162 77.373 1.00 100.70 ? 350 ALA B O 1 ATOM 2269 C CB . ALA B 2 89 ? 0.230 -9.199 77.298 1.00 102.36 ? 350 ALA B CB 1 ATOM 2270 N N . LEU B 2 90 ? -2.316 -7.183 76.460 1.00 117.06 ? 351 LEU B N 1 ATOM 2271 C CA . LEU B 2 90 ? -2.731 -5.989 75.707 1.00 122.11 ? 351 LEU B CA 1 ATOM 2272 C C . LEU B 2 90 ? -3.607 -5.072 76.581 1.00 120.39 ? 351 LEU B C 1 ATOM 2273 O O . LEU B 2 90 ? -4.580 -5.550 77.187 1.00 104.02 ? 351 LEU B O 1 ATOM 2274 C CB . LEU B 2 90 ? -3.459 -6.353 74.394 1.00 122.32 ? 351 LEU B CB 1 ATOM 2275 C CG . LEU B 2 90 ? -2.621 -6.816 73.180 1.00 122.64 ? 351 LEU B CG 1 ATOM 2276 C CD1 . LEU B 2 90 ? -3.548 -7.164 72.026 1.00 121.60 ? 351 LEU B CD1 1 ATOM 2277 C CD2 . LEU B 2 90 ? -1.579 -5.797 72.719 1.00 115.27 ? 351 LEU B CD2 1 ATOM 2278 N N . PRO B 2 91 ? -3.260 -3.755 76.643 1.00 122.82 ? 352 PRO B N 1 ATOM 2279 C CA . PRO B 2 91 ? -3.987 -2.746 77.424 1.00 118.22 ? 352 PRO B CA 1 ATOM 2280 C C . PRO B 2 91 ? -5.509 -2.890 77.403 1.00 116.38 ? 352 PRO B C 1 ATOM 2281 O O . PRO B 2 91 ? -6.145 -2.779 78.448 1.00 110.03 ? 352 PRO B O 1 ATOM 2282 C CB . PRO B 2 91 ? -3.569 -1.430 76.756 1.00 115.05 ? 352 PRO B CB 1 ATOM 2283 C CG . PRO B 2 91 ? -2.180 -1.682 76.287 1.00 115.51 ? 352 PRO B CG 1 ATOM 2284 C CD . PRO B 2 91 ? -2.086 -3.154 75.968 1.00 119.19 ? 352 PRO B CD 1 ATOM 2285 N N . ALA B 2 92 ? -6.078 -3.137 76.225 1.00 118.94 ? 353 ALA B N 1 ATOM 2286 C CA . ALA B 2 92 ? -7.529 -3.252 76.064 1.00 114.71 ? 353 ALA B CA 1 ATOM 2287 C C . ALA B 2 92 ? -7.855 -4.323 75.021 1.00 106.31 ? 353 ALA B C 1 ATOM 2288 O O . ALA B 2 92 ? -6.964 -4.728 74.270 1.00 95.35 ? 353 ALA B O 1 ATOM 2289 C CB . ALA B 2 92 ? -8.106 -1.902 75.651 1.00 112.67 ? 353 ALA B CB 1 ATOM 2290 N N . PRO B 2 93 ? -9.125 -4.794 74.982 1.00 99.94 ? 354 PRO B N 1 ATOM 2291 C CA . PRO B 2 93 ? -9.536 -5.717 73.925 1.00 98.98 ? 354 PRO B CA 1 ATOM 2292 C C . PRO B 2 93 ? -9.668 -5.000 72.569 1.00 102.27 ? 354 PRO B C 1 ATOM 2293 O O . PRO B 2 93 ? -10.676 -4.332 72.311 1.00 104.53 ? 354 PRO B O 1 ATOM 2294 C CB . PRO B 2 93 ? -10.889 -6.248 74.422 1.00 94.87 ? 354 PRO B CB 1 ATOM 2295 C CG . PRO B 2 93 ? -11.427 -5.156 75.271 1.00 97.03 ? 354 PRO B CG 1 ATOM 2296 C CD . PRO B 2 93 ? -10.225 -4.534 75.932 1.00 100.14 ? 354 PRO B CD 1 ATOM 2297 N N . ILE B 2 94 ? -8.642 -5.147 71.728 1.00 98.32 ? 355 ILE B N 1 ATOM 2298 C CA . ILE B 2 94 ? -8.585 -4.504 70.413 1.00 94.43 ? 355 ILE B CA 1 ATOM 2299 C C . ILE B 2 94 ? -9.664 -5.044 69.456 1.00 95.53 ? 355 ILE B C 1 ATOM 2300 O O . ILE B 2 94 ? -10.005 -6.233 69.477 1.00 91.85 ? 355 ILE B O 1 ATOM 2301 C CB . ILE B 2 94 ? -7.182 -4.661 69.768 1.00 90.00 ? 355 ILE B CB 1 ATOM 2302 C CG1 . ILE B 2 94 ? -6.133 -3.904 70.586 1.00 88.85 ? 355 ILE B CG1 1 ATOM 2303 C CG2 . ILE B 2 94 ? -7.181 -4.155 68.329 1.00 90.97 ? 355 ILE B CG2 1 ATOM 2304 C CD1 . ILE B 2 94 ? -4.737 -3.929 70.000 1.00 90.94 ? 355 ILE B CD1 1 ATOM 2305 N N . GLU B 2 95 ? -10.200 -4.141 68.636 1.00 93.09 ? 356 GLU B N 1 ATOM 2306 C CA . GLU B 2 95 ? -11.133 -4.480 67.565 1.00 91.70 ? 356 GLU B CA 1 ATOM 2307 C C . GLU B 2 95 ? -10.603 -3.924 66.248 1.00 91.16 ? 356 GLU B C 1 ATOM 2308 O O . GLU B 2 95 ? -9.798 -2.986 66.245 1.00 89.55 ? 356 GLU B O 1 ATOM 2309 C CB . GLU B 2 95 ? -12.499 -3.866 67.836 1.00 91.63 ? 356 GLU B CB 1 ATOM 2310 C CG . GLU B 2 95 ? -13.171 -4.351 69.107 1.00 94.57 ? 356 GLU B CG 1 ATOM 2311 C CD . GLU B 2 95 ? -14.555 -3.756 69.275 1.00 98.12 ? 356 GLU B CD 1 ATOM 2312 O OE1 . GLU B 2 95 ? -15.503 -4.508 69.604 1.00 98.76 ? 356 GLU B OE1 1 ATOM 2313 O OE2 . GLU B 2 95 ? -14.695 -2.533 69.056 1.00 101.32 ? 356 GLU B OE2 1 ATOM 2314 N N . LYS B 2 96 ? -11.048 -4.518 65.139 1.00 87.12 ? 357 LYS B N 1 ATOM 2315 C CA . LYS B 2 96 ? -10.767 -4.008 63.787 1.00 77.21 ? 357 LYS B CA 1 ATOM 2316 C C . LYS B 2 96 ? -11.875 -4.438 62.844 1.00 74.79 ? 357 LYS B C 1 ATOM 2317 O O . LYS B 2 96 ? -12.341 -5.577 62.913 1.00 77.27 ? 357 LYS B O 1 ATOM 2318 C CB . LYS B 2 96 ? -9.425 -4.515 63.265 1.00 73.88 ? 357 LYS B CB 1 ATOM 2319 C CG . LYS B 2 96 ? -8.194 -3.890 63.911 1.00 76.56 ? 357 LYS B CG 1 ATOM 2320 C CD . LYS B 2 96 ? -8.171 -2.370 63.799 1.00 76.95 ? 357 LYS B CD 1 ATOM 2321 C CE . LYS B 2 96 ? -6.961 -1.775 64.499 1.00 78.51 ? 357 LYS B CE 1 ATOM 2322 N NZ . LYS B 2 96 ? -5.693 -2.194 63.843 1.00 78.85 ? 357 LYS B NZ 1 ATOM 2323 N N . THR B 2 97 ? -12.315 -3.518 61.984 1.00 72.49 ? 358 THR B N 1 ATOM 2324 C CA . THR B 2 97 ? -13.390 -3.798 61.033 1.00 71.41 ? 358 THR B CA 1 ATOM 2325 C C . THR B 2 97 ? -12.926 -3.605 59.595 1.00 72.57 ? 358 THR B C 1 ATOM 2326 O O . THR B 2 97 ? -11.985 -2.855 59.317 1.00 66.85 ? 358 THR B O 1 ATOM 2327 C CB . THR B 2 97 ? -14.633 -2.935 61.303 1.00 71.65 ? 358 THR B CB 1 ATOM 2328 O OG1 . THR B 2 97 ? -15.104 -3.199 62.624 1.00 73.79 ? 358 THR B OG1 1 ATOM 2329 C CG2 . THR B 2 97 ? -15.761 -3.251 60.321 1.00 72.67 ? 358 THR B CG2 1 ATOM 2330 N N . ILE B 2 98 ? -13.584 -4.326 58.695 1.00 69.00 ? 359 ILE B N 1 ATOM 2331 C CA . ILE B 2 98 ? -13.290 -4.259 57.288 1.00 64.99 ? 359 ILE B CA 1 ATOM 2332 C C . ILE B 2 98 ? -14.590 -4.554 56.579 1.00 61.46 ? 359 ILE B C 1 ATOM 2333 O O . ILE B 2 98 ? -15.484 -5.171 57.154 1.00 65.27 ? 359 ILE B O 1 ATOM 2334 C CB . ILE B 2 98 ? -12.207 -5.289 56.915 1.00 68.61 ? 359 ILE B CB 1 ATOM 2335 C CG1 . ILE B 2 98 ? -11.562 -4.942 55.578 1.00 70.54 ? 359 ILE B CG1 1 ATOM 2336 C CG2 . ILE B 2 98 ? -12.782 -6.707 56.881 1.00 70.06 ? 359 ILE B CG2 1 ATOM 2337 C CD1 . ILE B 2 98 ? -10.343 -5.772 55.258 1.00 70.99 ? 359 ILE B CD1 1 ATOM 2338 N N . SER B 2 99 ? -14.701 -4.078 55.348 1.00 58.18 ? 360 SER B N 1 ATOM 2339 C CA . SER B 2 99 ? -15.875 -4.301 54.513 1.00 52.45 ? 360 SER B CA 1 ATOM 2340 C C . SER B 2 99 ? -15.505 -3.891 53.117 1.00 48.34 ? 360 SER B C 1 ATOM 2341 O O . SER B 2 99 ? -14.453 -3.292 52.889 1.00 46.72 ? 360 SER B O 1 ATOM 2342 C CB . SER B 2 99 ? -17.033 -3.436 54.960 1.00 56.59 ? 360 SER B CB 1 ATOM 2343 O OG . SER B 2 99 ? -16.666 -2.066 54.871 1.00 63.74 ? 360 SER B OG 1 ATOM 2344 N N . LYS B 2 100 ? -16.375 -4.204 52.175 1.00 48.53 ? 361 LYS B N 1 ATOM 2345 C CA . LYS B 2 100 ? -16.096 -3.892 50.783 1.00 44.06 ? 361 LYS B CA 1 ATOM 2346 C C . LYS B 2 100 ? -16.217 -2.399 50.592 1.00 43.10 ? 361 LYS B C 1 ATOM 2347 O O . LYS B 2 100 ? -17.064 -1.774 51.197 1.00 49.23 ? 361 LYS B O 1 ATOM 2348 C CB . LYS B 2 100 ? -17.094 -4.578 49.876 1.00 42.34 ? 361 LYS B CB 1 ATOM 2349 C CG . LYS B 2 100 ? -16.689 -4.543 48.420 1.00 42.57 ? 361 LYS B CG 1 ATOM 2350 C CD . LYS B 2 100 ? -17.795 -5.091 47.545 1.00 45.28 ? 361 LYS B CD 1 ATOM 2351 C CE . LYS B 2 100 ? -19.008 -4.169 47.554 1.00 45.02 ? 361 LYS B CE 1 ATOM 2352 N NZ . LYS B 2 100 ? -19.872 -4.357 46.347 1.00 45.79 ? 361 LYS B NZ 1 ATOM 2353 N N . ALA B 2 101 ? -15.380 -1.838 49.741 1.00 39.39 ? 362 ALA B N 1 ATOM 2354 C CA . ALA B 2 101 ? -15.459 -0.420 49.426 1.00 39.78 ? 362 ALA B CA 1 ATOM 2355 C C . ALA B 2 101 ? -16.887 -0.040 48.984 1.00 41.29 ? 362 ALA B C 1 ATOM 2356 O O . ALA B 2 101 ? -17.559 -0.767 48.221 1.00 38.85 ? 362 ALA B O 1 ATOM 2357 C CB . ALA B 2 101 ? -14.426 -0.044 48.363 1.00 37.03 ? 362 ALA B CB 1 ATOM 2358 N N . LYS B 2 102 ? -17.342 1.096 49.497 1.00 43.72 ? 363 LYS B N 1 ATOM 2359 C CA . LYS B 2 102 ? -18.712 1.568 49.272 1.00 45.05 ? 363 LYS B CA 1 ATOM 2360 C C . LYS B 2 102 ? -18.821 2.305 47.930 1.00 42.60 ? 363 LYS B C 1 ATOM 2361 O O . LYS B 2 102 ? -17.830 2.867 47.434 1.00 43.22 ? 363 LYS B O 1 ATOM 2362 C CB . LYS B 2 102 ? -19.132 2.480 50.429 1.00 47.70 ? 363 LYS B CB 1 ATOM 2363 C CG . LYS B 2 102 ? -19.347 1.758 51.757 1.00 47.66 ? 363 LYS B CG 1 ATOM 2364 N N . GLY B 2 103 ? -20.004 2.253 47.326 1.00 39.22 ? 364 GLY B N 1 ATOM 2365 C CA . GLY B 2 103 ? -20.260 2.932 46.063 1.00 38.87 ? 364 GLY B CA 1 ATOM 2366 C C . GLY B 2 103 ? -20.729 2.063 44.910 1.00 40.16 ? 364 GLY B C 1 ATOM 2367 O O . GLY B 2 103 ? -20.503 0.866 44.854 1.00 42.33 ? 364 GLY B O 1 ATOM 2368 N N . GLN B 2 104 ? -21.391 2.712 43.975 1.00 39.02 ? 365 GLN B N 1 ATOM 2369 C CA . GLN B 2 104 ? -21.991 2.074 42.848 1.00 38.85 ? 365 GLN B CA 1 ATOM 2370 C C . GLN B 2 104 ? -20.903 1.359 42.093 1.00 40.23 ? 365 GLN B C 1 ATOM 2371 O O . GLN B 2 104 ? -19.964 1.997 41.645 1.00 37.47 ? 365 GLN B O 1 ATOM 2372 C CB . GLN B 2 104 ? -22.592 3.159 41.969 1.00 41.31 ? 365 GLN B CB 1 ATOM 2373 C CG . GLN B 2 104 ? -23.042 2.721 40.607 1.00 40.64 ? 365 GLN B CG 1 ATOM 2374 C CD . GLN B 2 104 ? -24.139 1.709 40.708 1.00 42.79 ? 365 GLN B CD 1 ATOM 2375 O OE1 . GLN B 2 104 ? -23.985 0.556 40.274 1.00 45.09 ? 365 GLN B OE1 1 ATOM 2376 N NE2 . GLN B 2 104 ? -25.266 2.122 41.276 1.00 40.69 ? 365 GLN B NE2 1 ATOM 2377 N N . PRO B 2 105 ? -21.010 0.024 41.947 1.00 44.42 ? 366 PRO B N 1 ATOM 2378 C CA . PRO B 2 105 ? -20.044 -0.658 41.073 1.00 39.49 ? 366 PRO B CA 1 ATOM 2379 C C . PRO B 2 105 ? -20.107 -0.201 39.626 1.00 38.90 ? 366 PRO B C 1 ATOM 2380 O O . PRO B 2 105 ? -21.182 0.113 39.106 1.00 38.57 ? 366 PRO B O 1 ATOM 2381 C CB . PRO B 2 105 ? -20.453 -2.125 41.171 1.00 41.63 ? 366 PRO B CB 1 ATOM 2382 C CG . PRO B 2 105 ? -21.115 -2.249 42.522 1.00 43.63 ? 366 PRO B CG 1 ATOM 2383 C CD . PRO B 2 105 ? -21.836 -0.935 42.714 1.00 44.17 ? 366 PRO B CD 1 ATOM 2384 N N . ARG B 2 106 ? -18.956 -0.194 38.967 1.00 37.49 ? 367 ARG B N 1 ATOM 2385 C CA . ARG B 2 106 ? -18.884 0.185 37.577 1.00 40.19 ? 367 ARG B CA 1 ATOM 2386 C C . ARG B 2 106 ? -18.128 -0.871 36.804 1.00 41.73 ? 367 ARG B C 1 ATOM 2387 O O . ARG B 2 106 ? -17.113 -1.406 37.273 1.00 44.03 ? 367 ARG B O 1 ATOM 2388 C CB . ARG B 2 106 ? -18.237 1.567 37.423 1.00 44.28 ? 367 ARG B CB 1 ATOM 2389 C CG . ARG B 2 106 ? -19.061 2.679 38.060 1.00 47.26 ? 367 ARG B CG 1 ATOM 2390 C CD . ARG B 2 106 ? -18.390 4.038 37.934 1.00 50.60 ? 367 ARG B CD 1 ATOM 2391 N N . GLU B 2 107 ? -18.646 -1.156 35.614 1.00 42.03 ? 368 GLU B N 1 ATOM 2392 C CA . GLU B 2 107 ? -18.163 -2.222 34.760 1.00 41.37 ? 368 GLU B CA 1 ATOM 2393 C C . GLU B 2 107 ? -16.819 -1.881 34.124 1.00 37.30 ? 368 GLU B C 1 ATOM 2394 O O . GLU B 2 107 ? -16.679 -0.835 33.530 1.00 37.61 ? 368 GLU B O 1 ATOM 2395 C CB . GLU B 2 107 ? -19.189 -2.475 33.650 1.00 45.00 ? 368 GLU B CB 1 ATOM 2396 C CG . GLU B 2 107 ? -18.761 -3.504 32.617 1.00 50.31 ? 368 GLU B CG 1 ATOM 2397 C CD . GLU B 2 107 ? -19.816 -3.722 31.552 1.00 52.84 ? 368 GLU B CD 1 ATOM 2398 O OE1 . GLU B 2 107 ? -20.000 -2.858 30.660 1.00 57.75 ? 368 GLU B OE1 1 ATOM 2399 O OE2 . GLU B 2 107 ? -20.461 -4.772 31.615 1.00 56.63 ? 368 GLU B OE2 1 ATOM 2400 N N . PRO B 2 108 ? -15.830 -2.772 34.234 1.00 36.36 ? 369 PRO B N 1 ATOM 2401 C CA . PRO B 2 108 ? -14.584 -2.484 33.559 1.00 38.03 ? 369 PRO B CA 1 ATOM 2402 C C . PRO B 2 108 ? -14.679 -2.561 32.049 1.00 38.32 ? 369 PRO B C 1 ATOM 2403 O O . PRO B 2 108 ? -15.365 -3.409 31.544 1.00 39.00 ? 369 PRO B O 1 ATOM 2404 C CB . PRO B 2 108 ? -13.649 -3.590 34.052 1.00 36.95 ? 369 PRO B CB 1 ATOM 2405 C CG . PRO B 2 108 ? -14.518 -4.634 34.648 1.00 36.89 ? 369 PRO B CG 1 ATOM 2406 C CD . PRO B 2 108 ? -15.687 -3.891 35.187 1.00 37.29 ? 369 PRO B CD 1 ATOM 2407 N N . GLN B 2 109 ? -14.006 -1.652 31.356 1.00 38.48 ? 370 GLN B N 1 ATOM 2408 C CA A GLN B 2 109 ? -13.851 -1.767 29.923 0.60 38.23 ? 370 GLN B CA 1 ATOM 2409 C CA B GLN B 2 109 ? -13.823 -1.722 29.908 0.40 37.15 ? 370 GLN B CA 1 ATOM 2410 C C . GLN B 2 109 ? -12.474 -2.368 29.708 1.00 38.83 ? 370 GLN B C 1 ATOM 2411 O O . GLN B 2 109 ? -11.508 -1.970 30.363 1.00 39.45 ? 370 GLN B O 1 ATOM 2412 C CB A GLN B 2 109 ? -13.998 -0.405 29.242 0.60 39.24 ? 370 GLN B CB 1 ATOM 2413 C CB B GLN B 2 109 ? -13.769 -0.331 29.264 0.40 36.21 ? 370 GLN B CB 1 ATOM 2414 C CG A GLN B 2 109 ? -15.288 0.327 29.595 0.60 39.29 ? 370 GLN B CG 1 ATOM 2415 C CG B GLN B 2 109 ? -14.955 0.582 29.510 0.40 34.51 ? 370 GLN B CG 1 ATOM 2416 C CD A GLN B 2 109 ? -16.538 -0.468 29.254 0.60 42.93 ? 370 GLN B CD 1 ATOM 2417 C CD B GLN B 2 109 ? -14.592 2.056 29.359 0.40 34.35 ? 370 GLN B CD 1 ATOM 2418 O OE1 A GLN B 2 109 ? -17.499 -0.502 30.030 0.60 41.89 ? 370 GLN B OE1 1 ATOM 2419 O OE1 B GLN B 2 109 ? -13.988 2.498 28.354 0.40 31.18 ? 370 GLN B OE1 1 ATOM 2420 N NE2 A GLN B 2 109 ? -16.533 -1.121 28.082 0.60 45.47 ? 370 GLN B NE2 1 ATOM 2421 N NE2 B GLN B 2 109 ? -14.967 2.835 30.363 0.40 34.64 ? 370 GLN B NE2 1 ATOM 2422 N N . VAL B 2 110 ? -12.415 -3.349 28.808 1.00 38.56 ? 371 VAL B N 1 ATOM 2423 C CA . VAL B 2 110 ? -11.247 -4.153 28.559 1.00 39.03 ? 371 VAL B CA 1 ATOM 2424 C C . VAL B 2 110 ? -10.853 -3.985 27.094 1.00 43.86 ? 371 VAL B C 1 ATOM 2425 O O . VAL B 2 110 ? -11.666 -4.190 26.190 1.00 40.92 ? 371 VAL B O 1 ATOM 2426 C CB . VAL B 2 110 ? -11.538 -5.634 28.834 1.00 39.68 ? 371 VAL B CB 1 ATOM 2427 C CG1 . VAL B 2 110 ? -10.262 -6.462 28.755 1.00 39.11 ? 371 VAL B CG1 1 ATOM 2428 C CG2 . VAL B 2 110 ? -12.169 -5.794 30.209 1.00 39.06 ? 371 VAL B CG2 1 ATOM 2429 N N . TYR B 2 111 ? -9.602 -3.575 26.889 1.00 44.57 ? 372 TYR B N 1 ATOM 2430 C CA . TYR B 2 111 ? -9.027 -3.415 25.593 1.00 41.40 ? 372 TYR B CA 1 ATOM 2431 C C . TYR B 2 111 ? -7.683 -4.100 25.635 1.00 43.98 ? 372 TYR B C 1 ATOM 2432 O O . TYR B 2 111 ? -6.935 -3.965 26.599 1.00 46.72 ? 372 TYR B O 1 ATOM 2433 C CB . TYR B 2 111 ? -8.855 -1.954 25.298 1.00 42.05 ? 372 TYR B CB 1 ATOM 2434 C CG . TYR B 2 111 ? -10.110 -1.149 25.508 1.00 43.80 ? 372 TYR B CG 1 ATOM 2435 C CD1 . TYR B 2 111 ? -11.242 -1.366 24.733 1.00 46.60 ? 372 TYR B CD1 1 ATOM 2436 C CD2 . TYR B 2 111 ? -10.155 -0.130 26.452 1.00 45.13 ? 372 TYR B CD2 1 ATOM 2437 C CE1 . TYR B 2 111 ? -12.397 -0.599 24.918 1.00 43.80 ? 372 TYR B CE1 1 ATOM 2438 C CE2 . TYR B 2 111 ? -11.296 0.636 26.640 1.00 44.01 ? 372 TYR B CE2 1 ATOM 2439 C CZ . TYR B 2 111 ? -12.417 0.396 25.879 1.00 43.48 ? 372 TYR B CZ 1 ATOM 2440 O OH . TYR B 2 111 ? -13.552 1.160 26.103 1.00 46.72 ? 372 TYR B OH 1 ATOM 2441 N N . THR B 2 112 ? -7.412 -4.895 24.614 1.00 45.36 ? 373 THR B N 1 ATOM 2442 C CA . THR B 2 112 ? -6.128 -5.515 24.440 1.00 45.39 ? 373 THR B CA 1 ATOM 2443 C C . THR B 2 112 ? -5.413 -4.688 23.404 1.00 46.59 ? 373 THR B C 1 ATOM 2444 O O . THR B 2 112 ? -6.044 -4.174 22.475 1.00 45.08 ? 373 THR B O 1 ATOM 2445 C CB . THR B 2 112 ? -6.250 -6.951 23.938 1.00 45.16 ? 373 THR B CB 1 ATOM 2446 O OG1 . THR B 2 112 ? -6.928 -6.958 22.677 1.00 47.34 ? 373 THR B OG1 1 ATOM 2447 C CG2 . THR B 2 112 ? -7.002 -7.810 24.927 1.00 47.17 ? 373 THR B CG2 1 ATOM 2448 N N . LEU B 2 113 ? -4.107 -4.548 23.587 1.00 47.61 ? 374 LEU B N 1 ATOM 2449 C CA . LEU B 2 113 ? -3.245 -3.748 22.716 1.00 48.82 ? 374 LEU B CA 1 ATOM 2450 C C . LEU B 2 113 ? -2.070 -4.609 22.286 1.00 50.18 ? 374 LEU B C 1 ATOM 2451 O O . LEU B 2 113 ? -1.434 -5.252 23.125 1.00 49.56 ? 374 LEU B O 1 ATOM 2452 C CB . LEU B 2 113 ? -2.698 -2.556 23.475 1.00 49.47 ? 374 LEU B CB 1 ATOM 2453 C CG . LEU B 2 113 ? -3.512 -1.278 23.652 1.00 51.64 ? 374 LEU B CG 1 ATOM 2454 C CD1 . LEU B 2 113 ? -4.957 -1.346 23.211 1.00 53.62 ? 374 LEU B CD1 1 ATOM 2455 C CD2 . LEU B 2 113 ? -3.426 -0.846 25.104 1.00 53.00 ? 374 LEU B CD2 1 ATOM 2456 N N . PRO B 2 114 ? -1.760 -4.619 20.983 1.00 50.21 ? 375 PRO B N 1 ATOM 2457 C CA . PRO B 2 114 ? -0.645 -5.434 20.518 1.00 47.32 ? 375 PRO B CA 1 ATOM 2458 C C . PRO B 2 114 ? 0.690 -4.719 20.750 1.00 47.06 ? 375 PRO B C 1 ATOM 2459 O O . PRO B 2 114 ? 0.684 -3.519 21.044 1.00 43.10 ? 375 PRO B O 1 ATOM 2460 C CB . PRO B 2 114 ? -0.923 -5.546 19.016 1.00 46.66 ? 375 PRO B CB 1 ATOM 2461 C CG . PRO B 2 114 ? -1.571 -4.243 18.665 1.00 45.39 ? 375 PRO B CG 1 ATOM 2462 C CD . PRO B 2 114 ? -2.313 -3.777 19.900 1.00 47.15 ? 375 PRO B CD 1 ATOM 2463 N N . PRO B 2 115 ? 1.825 -5.436 20.582 1.00 47.92 ? 376 PRO B N 1 ATOM 2464 C CA . PRO B 2 115 ? 3.138 -4.839 20.769 1.00 50.09 ? 376 PRO B CA 1 ATOM 2465 C C . PRO B 2 115 ? 3.342 -3.653 19.853 1.00 53.08 ? 376 PRO B C 1 ATOM 2466 O O . PRO B 2 115 ? 2.720 -3.586 18.804 1.00 54.45 ? 376 PRO B O 1 ATOM 2467 C CB . PRO B 2 115 ? 4.106 -5.958 20.384 1.00 50.00 ? 376 PRO B CB 1 ATOM 2468 C CG . PRO B 2 115 ? 3.340 -7.227 20.538 1.00 51.14 ? 376 PRO B CG 1 ATOM 2469 C CD . PRO B 2 115 ? 1.917 -6.862 20.227 1.00 51.65 ? 376 PRO B CD 1 ATOM 2470 N N . SER B 2 116 ? 4.193 -2.719 20.263 1.00 57.54 ? 377 SER B N 1 ATOM 2471 C CA . SER B 2 116 ? 4.597 -1.617 19.403 1.00 61.55 ? 377 SER B CA 1 ATOM 2472 C C . SER B 2 116 ? 5.429 -2.134 18.237 1.00 63.84 ? 377 SER B C 1 ATOM 2473 O O . SER B 2 116 ? 6.234 -3.059 18.409 1.00 64.73 ? 377 SER B O 1 ATOM 2474 C CB . SER B 2 116 ? 5.446 -0.616 20.178 1.00 63.08 ? 377 SER B CB 1 ATOM 2475 O OG . SER B 2 116 ? 6.415 -0.040 19.323 1.00 67.07 ? 377 SER B OG 1 ATOM 2476 N N . ARG B 2 117 ? 5.254 -1.525 17.066 1.00 66.23 ? 378 ARG B N 1 ATOM 2477 C CA . ARG B 2 117 ? 6.168 -1.757 15.948 1.00 69.49 ? 378 ARG B CA 1 ATOM 2478 C C . ARG B 2 117 ? 7.597 -1.775 16.496 1.00 68.68 ? 378 ARG B C 1 ATOM 2479 O O . ARG B 2 117 ? 8.339 -2.740 16.311 1.00 64.11 ? 378 ARG B O 1 ATOM 2480 C CB . ARG B 2 117 ? 6.027 -0.649 14.896 1.00 68.63 ? 378 ARG B CB 1 ATOM 2481 C CG . ARG B 2 117 ? 6.872 -0.869 13.646 1.00 69.54 ? 378 ARG B CG 1 ATOM 2482 N N . GLU B 2 118 ? 7.951 -0.731 17.241 1.00 67.47 ? 379 GLU B N 1 ATOM 2483 C CA . GLU B 2 118 ? 9.323 -0.575 17.707 1.00 65.17 ? 379 GLU B CA 1 ATOM 2484 C C . GLU B 2 118 ? 9.805 -1.689 18.631 1.00 59.98 ? 379 GLU B C 1 ATOM 2485 O O . GLU B 2 118 ? 10.994 -1.926 18.710 1.00 56.90 ? 379 GLU B O 1 ATOM 2486 C CB . GLU B 2 118 ? 9.516 0.792 18.353 1.00 68.81 ? 379 GLU B CB 1 ATOM 2487 C CG . GLU B 2 118 ? 9.260 1.947 17.399 1.00 75.90 ? 379 GLU B CG 1 ATOM 2488 C CD . GLU B 2 118 ? 10.033 3.208 17.765 1.00 89.75 ? 379 GLU B CD 1 ATOM 2489 O OE1 . GLU B 2 118 ? 9.840 3.735 18.888 1.00 101.87 ? 379 GLU B OE1 1 ATOM 2490 O OE2 . GLU B 2 118 ? 10.835 3.681 16.924 1.00 94.81 ? 379 GLU B OE2 1 ATOM 2491 N N . GLU B 2 119 ? 8.909 -2.400 19.310 1.00 61.09 ? 380 GLU B N 1 ATOM 2492 C CA . GLU B 2 119 ? 9.347 -3.528 20.135 1.00 60.02 ? 380 GLU B CA 1 ATOM 2493 C C . GLU B 2 119 ? 9.688 -4.761 19.304 1.00 64.94 ? 380 GLU B C 1 ATOM 2494 O O . GLU B 2 119 ? 10.343 -5.695 19.800 1.00 65.53 ? 380 GLU B O 1 ATOM 2495 C CB . GLU B 2 119 ? 8.290 -3.885 21.182 1.00 59.32 ? 380 GLU B CB 1 ATOM 2496 C CG . GLU B 2 119 ? 8.768 -4.849 22.280 1.00 57.06 ? 380 GLU B CG 1 ATOM 2497 C CD . GLU B 2 119 ? 7.674 -5.205 23.287 1.00 55.39 ? 380 GLU B CD 1 ATOM 2498 O OE1 . GLU B 2 119 ? 6.493 -4.999 22.965 1.00 53.20 ? 380 GLU B OE1 1 ATOM 2499 O OE2 . GLU B 2 119 ? 7.981 -5.711 24.395 1.00 51.41 ? 380 GLU B OE2 1 ATOM 2500 N N . MET B 2 120 ? 9.274 -4.766 18.038 1.00 68.85 ? 381 MET B N 1 ATOM 2501 C CA . MET B 2 120 ? 9.362 -5.976 17.230 1.00 76.34 ? 381 MET B CA 1 ATOM 2502 C C . MET B 2 120 ? 10.786 -6.485 17.012 1.00 78.44 ? 381 MET B C 1 ATOM 2503 O O . MET B 2 120 ? 10.975 -7.631 16.588 1.00 76.04 ? 381 MET B O 1 ATOM 2504 C CB . MET B 2 120 ? 8.655 -5.794 15.880 1.00 80.02 ? 381 MET B CB 1 ATOM 2505 C CG . MET B 2 120 ? 7.133 -5.674 15.972 1.00 82.53 ? 381 MET B CG 1 ATOM 2506 S SD . MET B 2 120 ? 6.291 -6.926 16.982 1.00 89.27 ? 381 MET B SD 1 ATOM 2507 C CE . MET B 2 120 ? 6.958 -8.460 16.334 1.00 85.74 ? 381 MET B CE 1 ATOM 2508 N N . THR B 2 121 ? 11.779 -5.656 17.318 1.00 75.28 ? 382 THR B N 1 ATOM 2509 C CA . THR B 2 121 ? 13.169 -6.051 17.147 1.00 74.78 ? 382 THR B CA 1 ATOM 2510 C C . THR B 2 121 ? 13.583 -7.107 18.163 1.00 77.23 ? 382 THR B C 1 ATOM 2511 O O . THR B 2 121 ? 14.497 -7.885 17.901 1.00 89.78 ? 382 THR B O 1 ATOM 2512 C CB . THR B 2 121 ? 14.125 -4.846 17.275 1.00 73.34 ? 382 THR B CB 1 ATOM 2513 O OG1 . THR B 2 121 ? 14.097 -4.354 18.615 1.00 77.88 ? 382 THR B OG1 1 ATOM 2514 C CG2 . THR B 2 121 ? 13.726 -3.718 16.321 1.00 73.33 ? 382 THR B CG2 1 ATOM 2515 N N . LYS B 2 122 ? 12.914 -7.151 19.312 1.00 73.54 ? 383 LYS B N 1 ATOM 2516 C CA . LYS B 2 122 ? 13.427 -7.920 20.439 1.00 68.40 ? 383 LYS B CA 1 ATOM 2517 C C . LYS B 2 122 ? 13.048 -9.395 20.365 1.00 67.88 ? 383 LYS B C 1 ATOM 2518 O O . LYS B 2 122 ? 12.194 -9.801 19.586 1.00 69.12 ? 383 LYS B O 1 ATOM 2519 C CB . LYS B 2 122 ? 12.965 -7.297 21.762 1.00 68.39 ? 383 LYS B CB 1 ATOM 2520 C CG . LYS B 2 122 ? 13.271 -5.810 21.887 1.00 66.07 ? 383 LYS B CG 1 ATOM 2521 N N . ASN B 2 123 ? 13.726 -10.192 21.179 1.00 71.25 ? 384 ASN B N 1 ATOM 2522 C CA . ASN B 2 123 ? 13.473 -11.625 21.282 1.00 71.49 ? 384 ASN B CA 1 ATOM 2523 C C . ASN B 2 123 ? 12.061 -11.907 21.806 1.00 69.15 ? 384 ASN B C 1 ATOM 2524 O O . ASN B 2 123 ? 11.372 -12.793 21.310 1.00 64.17 ? 384 ASN B O 1 ATOM 2525 C CB . ASN B 2 123 ? 14.526 -12.254 22.208 1.00 73.62 ? 384 ASN B CB 1 ATOM 2526 C CG . ASN B 2 123 ? 14.137 -13.637 22.692 1.00 85.82 ? 384 ASN B CG 1 ATOM 2527 O OD1 . ASN B 2 123 ? 13.711 -14.487 21.906 1.00 98.09 ? 384 ASN B OD1 1 ATOM 2528 N ND2 . ASN B 2 123 ? 14.286 -13.876 23.994 1.00 90.20 ? 384 ASN B ND2 1 ATOM 2529 N N . GLN B 2 124 ? 11.652 -11.145 22.820 1.00 65.63 ? 385 GLN B N 1 ATOM 2530 C CA . GLN B 2 124 ? 10.335 -11.264 23.427 1.00 59.43 ? 385 GLN B CA 1 ATOM 2531 C C . GLN B 2 124 ? 9.521 -9.996 23.165 1.00 58.44 ? 385 GLN B C 1 ATOM 2532 O O . GLN B 2 124 ? 10.090 -8.922 22.977 1.00 63.90 ? 385 GLN B O 1 ATOM 2533 C CB . GLN B 2 124 ? 10.500 -11.479 24.922 1.00 62.88 ? 385 GLN B CB 1 ATOM 2534 C CG . GLN B 2 124 ? 11.432 -12.624 25.266 1.00 67.93 ? 385 GLN B CG 1 ATOM 2535 C CD . GLN B 2 124 ? 10.940 -13.471 26.432 1.00 73.54 ? 385 GLN B CD 1 ATOM 2536 O OE1 . GLN B 2 124 ? 10.916 -13.022 27.582 1.00 72.61 ? 385 GLN B OE1 1 ATOM 2537 N NE2 . GLN B 2 124 ? 10.566 -14.718 26.143 1.00 77.83 ? 385 GLN B NE2 1 ATOM 2538 N N . VAL B 2 125 ? 8.197 -10.109 23.130 1.00 56.23 ? 386 VAL B N 1 ATOM 2539 C CA . VAL B 2 125 ? 7.336 -8.931 22.960 1.00 56.39 ? 386 VAL B CA 1 ATOM 2540 C C . VAL B 2 125 ? 6.232 -8.869 24.017 1.00 53.42 ? 386 VAL B C 1 ATOM 2541 O O . VAL B 2 125 ? 5.963 -9.845 24.718 1.00 50.93 ? 386 VAL B O 1 ATOM 2542 C CB . VAL B 2 125 ? 6.720 -8.835 21.547 1.00 61.15 ? 386 VAL B CB 1 ATOM 2543 C CG1 . VAL B 2 125 ? 7.814 -8.619 20.516 1.00 64.28 ? 386 VAL B CG1 1 ATOM 2544 C CG2 . VAL B 2 125 ? 5.886 -10.069 21.215 1.00 63.69 ? 386 VAL B CG2 1 ATOM 2545 N N . SER B 2 126 ? 5.601 -7.701 24.094 1.00 51.36 ? 387 SER B N 1 ATOM 2546 C CA . SER B 2 126 ? 4.713 -7.329 25.191 1.00 50.61 ? 387 SER B CA 1 ATOM 2547 C C . SER B 2 126 ? 3.275 -7.144 24.708 1.00 50.30 ? 387 SER B C 1 ATOM 2548 O O . SER B 2 126 ? 2.955 -6.182 23.951 1.00 47.44 ? 387 SER B O 1 ATOM 2549 C CB . SER B 2 126 ? 5.205 -6.027 25.842 1.00 48.32 ? 387 SER B CB 1 ATOM 2550 O OG . SER B 2 126 ? 6.485 -6.211 26.436 1.00 47.23 ? 387 SER B OG 1 ATOM 2551 N N . LEU B 2 127 ? 2.420 -8.059 25.163 1.00 45.68 ? 388 LEU B N 1 ATOM 2552 C CA . LEU B 2 127 ? 0.984 -7.973 24.919 1.00 49.13 ? 388 LEU B CA 1 ATOM 2553 C C . LEU B 2 127 ? 0.336 -7.306 26.116 1.00 45.93 ? 388 LEU B C 1 ATOM 2554 O O . LEU B 2 127 ? 0.495 -7.779 27.234 1.00 40.79 ? 388 LEU B O 1 ATOM 2555 C CB . LEU B 2 127 ? 0.380 -9.369 24.717 1.00 53.83 ? 388 LEU B CB 1 ATOM 2556 C CG . LEU B 2 127 ? 0.468 -10.069 23.350 1.00 54.96 ? 388 LEU B CG 1 ATOM 2557 C CD1 . LEU B 2 127 ? 1.738 -9.742 22.581 1.00 58.31 ? 388 LEU B CD1 1 ATOM 2558 C CD2 . LEU B 2 127 ? 0.358 -11.578 23.554 1.00 55.70 ? 388 LEU B CD2 1 ATOM 2559 N N . THR B 2 128 ? -0.431 -6.250 25.851 1.00 46.50 ? 389 THR B N 1 ATOM 2560 C CA . THR B 2 128 ? -0.955 -5.342 26.858 1.00 43.59 ? 389 THR B CA 1 ATOM 2561 C C . THR B 2 128 ? -2.466 -5.368 26.937 1.00 45.37 ? 389 THR B C 1 ATOM 2562 O O . THR B 2 128 ? -3.140 -5.156 25.943 1.00 47.81 ? 389 THR B O 1 ATOM 2563 C CB . THR B 2 128 ? -0.583 -3.914 26.473 1.00 44.40 ? 389 THR B CB 1 ATOM 2564 O OG1 . THR B 2 128 ? 0.815 -3.756 26.680 1.00 48.50 ? 389 THR B OG1 1 ATOM 2565 C CG2 . THR B 2 128 ? -1.348 -2.881 27.288 1.00 43.85 ? 389 THR B CG2 1 ATOM 2566 N N . CYS B 2 129 ? -3.000 -5.564 28.131 1.00 41.07 ? 390 CYS B N 1 ATOM 2567 C CA . CYS B 2 129 ? -4.424 -5.519 28.324 1.00 39.57 ? 390 CYS B CA 1 ATOM 2568 C C . CYS B 2 129 ? -4.731 -4.326 29.206 1.00 37.53 ? 390 CYS B C 1 ATOM 2569 O O . CYS B 2 129 ? -4.328 -4.294 30.355 1.00 37.26 ? 390 CYS B O 1 ATOM 2570 C CB . CYS B 2 129 ? -4.878 -6.824 28.985 1.00 42.65 ? 390 CYS B CB 1 ATOM 2571 S SG . CYS B 2 129 ? -6.642 -6.938 29.359 1.00 44.10 ? 390 CYS B SG 1 ATOM 2572 N N . LEU B 2 130 ? -5.423 -3.335 28.665 1.00 37.45 ? 391 LEU B N 1 ATOM 2573 C CA . LEU B 2 130 ? -5.902 -2.200 29.452 1.00 36.18 ? 391 LEU B CA 1 ATOM 2574 C C . LEU B 2 130 ? -7.269 -2.469 30.019 1.00 38.37 ? 391 LEU B C 1 ATOM 2575 O O . LEU B 2 130 ? -8.189 -2.828 29.292 1.00 41.90 ? 391 LEU B O 1 ATOM 2576 C CB . LEU B 2 130 ? -5.998 -0.970 28.574 1.00 37.13 ? 391 LEU B CB 1 ATOM 2577 C CG . LEU B 2 130 ? -6.728 0.261 29.131 1.00 40.74 ? 391 LEU B CG 1 ATOM 2578 C CD1 . LEU B 2 130 ? -6.207 0.720 30.492 1.00 41.44 ? 391 LEU B CD1 1 ATOM 2579 C CD2 . LEU B 2 130 ? -6.608 1.399 28.129 1.00 43.00 ? 391 LEU B CD2 1 ATOM 2580 N N . VAL B 2 131 ? -7.421 -2.244 31.311 1.00 37.67 ? 392 VAL B N 1 ATOM 2581 C CA . VAL B 2 131 ? -8.693 -2.414 31.976 1.00 35.98 ? 392 VAL B CA 1 ATOM 2582 C C . VAL B 2 131 ? -9.010 -1.138 32.729 1.00 36.28 ? 392 VAL B C 1 ATOM 2583 O O . VAL B 2 131 ? -8.329 -0.829 33.686 1.00 33.98 ? 392 VAL B O 1 ATOM 2584 C CB . VAL B 2 131 ? -8.619 -3.567 32.984 1.00 36.10 ? 392 VAL B CB 1 ATOM 2585 C CG1 . VAL B 2 131 ? -9.991 -3.867 33.582 1.00 33.39 ? 392 VAL B CG1 1 ATOM 2586 C CG2 . VAL B 2 131 ? -8.013 -4.798 32.316 1.00 37.02 ? 392 VAL B CG2 1 ATOM 2587 N N . LYS B 2 132 ? -10.041 -0.411 32.310 1.00 36.29 ? 393 LYS B N 1 ATOM 2588 C CA . LYS B 2 132 ? -10.389 0.857 32.953 1.00 37.75 ? 393 LYS B CA 1 ATOM 2589 C C . LYS B 2 132 ? -11.871 1.034 33.246 1.00 38.40 ? 393 LYS B C 1 ATOM 2590 O O . LYS B 2 132 ? -12.731 0.301 32.736 1.00 40.33 ? 393 LYS B O 1 ATOM 2591 C CB . LYS B 2 132 ? -9.945 2.031 32.097 1.00 38.48 ? 393 LYS B CB 1 ATOM 2592 C CG . LYS B 2 132 ? -10.494 1.975 30.690 1.00 38.89 ? 393 LYS B CG 1 ATOM 2593 C CD . LYS B 2 132 ? -10.174 3.237 29.901 1.00 41.46 ? 393 LYS B CD 1 ATOM 2594 C CE . LYS B 2 132 ? -10.971 4.418 30.406 1.00 43.85 ? 393 LYS B CE 1 ATOM 2595 N NZ . LYS B 2 132 ? -11.328 5.304 29.282 1.00 48.94 ? 393 LYS B NZ 1 ATOM 2596 N N . GLY B 2 133 ? -12.135 2.025 34.088 1.00 35.05 ? 394 GLY B N 1 ATOM 2597 C CA . GLY B 2 133 ? -13.453 2.489 34.348 1.00 33.69 ? 394 GLY B CA 1 ATOM 2598 C C . GLY B 2 133 ? -14.165 1.681 35.385 1.00 35.16 ? 394 GLY B C 1 ATOM 2599 O O . GLY B 2 133 ? -15.400 1.758 35.485 1.00 37.39 ? 394 GLY B O 1 ATOM 2600 N N . PHE B 2 134 ? -13.417 0.956 36.213 1.00 32.60 ? 395 PHE B N 1 ATOM 2601 C CA . PHE B 2 134 ? -14.058 0.028 37.130 1.00 31.68 ? 395 PHE B CA 1 ATOM 2602 C C . PHE B 2 134 ? -14.057 0.510 38.575 1.00 33.99 ? 395 PHE B C 1 ATOM 2603 O O . PHE B 2 134 ? -13.189 1.299 38.990 1.00 29.58 ? 395 PHE B O 1 ATOM 2604 C CB . PHE B 2 134 ? -13.463 -1.374 37.015 1.00 30.51 ? 395 PHE B CB 1 ATOM 2605 C CG . PHE B 2 134 ? -12.005 -1.487 37.395 1.00 30.24 ? 395 PHE B CG 1 ATOM 2606 C CD1 . PHE B 2 134 ? -11.015 -1.301 36.459 1.00 31.26 ? 395 PHE B CD1 1 ATOM 2607 C CD2 . PHE B 2 134 ? -11.630 -1.849 38.677 1.00 29.99 ? 395 PHE B CD2 1 ATOM 2608 C CE1 . PHE B 2 134 ? -9.674 -1.444 36.800 1.00 30.63 ? 395 PHE B CE1 1 ATOM 2609 C CE2 . PHE B 2 134 ? -10.288 -1.988 39.018 1.00 29.91 ? 395 PHE B CE2 1 ATOM 2610 C CZ . PHE B 2 134 ? -9.316 -1.785 38.081 1.00 30.53 ? 395 PHE B CZ 1 ATOM 2611 N N . TYR B 2 135 ? -15.054 0.027 39.318 1.00 32.27 ? 396 TYR B N 1 ATOM 2612 C CA . TYR B 2 135 ? -15.200 0.328 40.733 1.00 31.23 ? 396 TYR B CA 1 ATOM 2613 C C . TYR B 2 135 ? -15.999 -0.787 41.399 1.00 32.86 ? 396 TYR B C 1 ATOM 2614 O O . TYR B 2 135 ? -16.983 -1.259 40.836 1.00 32.50 ? 396 TYR B O 1 ATOM 2615 C CB . TYR B 2 135 ? -15.951 1.653 40.921 1.00 30.52 ? 396 TYR B CB 1 ATOM 2616 C CG . TYR B 2 135 ? -15.867 2.107 42.348 1.00 28.43 ? 396 TYR B CG 1 ATOM 2617 C CD1 . TYR B 2 135 ? -14.807 2.896 42.788 1.00 29.30 ? 396 TYR B CD1 1 ATOM 2618 C CD2 . TYR B 2 135 ? -16.786 1.681 43.268 1.00 28.97 ? 396 TYR B CD2 1 ATOM 2619 C CE1 . TYR B 2 135 ? -14.706 3.266 44.128 1.00 30.87 ? 396 TYR B CE1 1 ATOM 2620 C CE2 . TYR B 2 135 ? -16.698 2.049 44.597 1.00 30.16 ? 396 TYR B CE2 1 ATOM 2621 C CZ . TYR B 2 135 ? -15.664 2.848 45.012 1.00 30.00 ? 396 TYR B CZ 1 ATOM 2622 O OH . TYR B 2 135 ? -15.585 3.187 46.320 1.00 31.78 ? 396 TYR B OH 1 ATOM 2623 N N . PRO B 2 136 ? -15.598 -1.226 42.592 1.00 34.93 ? 397 PRO B N 1 ATOM 2624 C CA . PRO B 2 136 ? -14.392 -0.933 43.338 1.00 35.86 ? 397 PRO B CA 1 ATOM 2625 C C . PRO B 2 136 ? -13.146 -1.499 42.676 1.00 35.85 ? 397 PRO B C 1 ATOM 2626 O O . PRO B 2 136 ? -13.206 -2.096 41.600 1.00 35.72 ? 397 PRO B O 1 ATOM 2627 C CB . PRO B 2 136 ? -14.609 -1.617 44.684 1.00 37.02 ? 397 PRO B CB 1 ATOM 2628 C CG . PRO B 2 136 ? -15.828 -2.464 44.570 1.00 36.32 ? 397 PRO B CG 1 ATOM 2629 C CD . PRO B 2 136 ? -16.486 -2.192 43.267 1.00 36.24 ? 397 PRO B CD 1 ATOM 2630 N N . SER B 2 137 ? -12.008 -1.274 43.309 1.00 35.68 ? 398 SER B N 1 ATOM 2631 C CA . SER B 2 137 ? -10.733 -1.661 42.733 1.00 34.45 ? 398 SER B CA 1 ATOM 2632 C C . SER B 2 137 ? -10.458 -3.168 42.872 1.00 34.04 ? 398 SER B C 1 ATOM 2633 O O . SER B 2 137 ? -9.445 -3.636 42.388 1.00 40.28 ? 398 SER B O 1 ATOM 2634 C CB . SER B 2 137 ? -9.620 -0.869 43.373 1.00 34.09 ? 398 SER B CB 1 ATOM 2635 O OG . SER B 2 137 ? -9.548 -1.145 44.758 1.00 33.32 ? 398 SER B OG 1 ATOM 2636 N N . ASP B 2 138 ? -11.372 -3.917 43.482 1.00 32.25 ? 399 ASP B N 1 ATOM 2637 C CA . ASP B 2 138 ? -11.267 -5.376 43.594 1.00 35.52 ? 399 ASP B CA 1 ATOM 2638 C C . ASP B 2 138 ? -11.491 -6.065 42.263 1.00 33.30 ? 399 ASP B C 1 ATOM 2639 O O . ASP B 2 138 ? -12.589 -6.020 41.709 1.00 35.04 ? 399 ASP B O 1 ATOM 2640 C CB . ASP B 2 138 ? -12.311 -5.895 44.583 1.00 40.28 ? 399 ASP B CB 1 ATOM 2641 C CG . ASP B 2 138 ? -12.133 -5.316 45.953 1.00 42.68 ? 399 ASP B CG 1 ATOM 2642 O OD1 . ASP B 2 138 ? -10.977 -5.235 46.389 1.00 49.69 ? 399 ASP B OD1 1 ATOM 2643 O OD2 . ASP B 2 138 ? -13.128 -4.914 46.581 1.00 54.02 ? 399 ASP B OD2 1 ATOM 2644 N N . ILE B 2 139 ? -10.454 -6.700 41.752 1.00 30.47 ? 400 ILE B N 1 ATOM 2645 C CA . ILE B 2 139 ? -10.488 -7.252 40.416 1.00 30.98 ? 400 ILE B CA 1 ATOM 2646 C C . ILE B 2 139 ? -9.415 -8.331 40.233 1.00 33.60 ? 400 ILE B C 1 ATOM 2647 O O . ILE B 2 139 ? -8.421 -8.413 40.985 1.00 28.02 ? 400 ILE B O 1 ATOM 2648 C CB . ILE B 2 139 ? -10.280 -6.129 39.394 1.00 32.30 ? 400 ILE B CB 1 ATOM 2649 C CG1 . ILE B 2 139 ? -10.666 -6.572 37.987 1.00 33.25 ? 400 ILE B CG1 1 ATOM 2650 C CG2 . ILE B 2 139 ? -8.845 -5.644 39.419 1.00 32.36 ? 400 ILE B CG2 1 ATOM 2651 C CD1 . ILE B 2 139 ? -10.826 -5.420 37.038 1.00 31.38 ? 400 ILE B CD1 1 ATOM 2652 N N . ALA B 2 140 ? -9.608 -9.178 39.232 1.00 35.17 ? 401 ALA B N 1 ATOM 2653 C CA . ALA B 2 140 ? -8.570 -10.134 38.901 1.00 33.48 ? 401 ALA B CA 1 ATOM 2654 C C . ALA B 2 140 ? -8.417 -10.224 37.406 1.00 31.92 ? 401 ALA B C 1 ATOM 2655 O O . ALA B 2 140 ? -9.388 -10.129 36.686 1.00 30.77 ? 401 ALA B O 1 ATOM 2656 C CB . ALA B 2 140 ? -8.892 -11.484 39.491 1.00 35.64 ? 401 ALA B CB 1 ATOM 2657 N N . VAL B 2 141 ? -7.170 -10.373 36.969 1.00 32.33 ? 402 VAL B N 1 ATOM 2658 C CA . VAL B 2 141 ? -6.809 -10.440 35.581 1.00 35.90 ? 402 VAL B CA 1 ATOM 2659 C C . VAL B 2 141 ? -5.951 -11.670 35.316 1.00 37.96 ? 402 VAL B C 1 ATOM 2660 O O . VAL B 2 141 ? -5.050 -12.001 36.086 1.00 35.67 ? 402 VAL B O 1 ATOM 2661 C CB . VAL B 2 141 ? -6.012 -9.210 35.152 1.00 36.70 ? 402 VAL B CB 1 ATOM 2662 C CG1 . VAL B 2 141 ? -5.683 -9.312 33.677 1.00 38.13 ? 402 VAL B CG1 1 ATOM 2663 C CG2 . VAL B 2 141 ? -6.825 -7.945 35.423 1.00 38.86 ? 402 VAL B CG2 1 ATOM 2664 N N . GLU B 2 142 ? -6.238 -12.347 34.212 1.00 40.18 ? 403 GLU B N 1 ATOM 2665 C CA . GLU B 2 142 ? -5.503 -13.551 33.855 1.00 43.15 ? 403 GLU B CA 1 ATOM 2666 C C . GLU B 2 142 ? -5.326 -13.592 32.360 1.00 40.70 ? 403 GLU B C 1 ATOM 2667 O O . GLU B 2 142 ? -6.064 -12.944 31.629 1.00 40.95 ? 403 GLU B O 1 ATOM 2668 C CB . GLU B 2 142 ? -6.212 -14.802 34.386 1.00 44.99 ? 403 GLU B CB 1 ATOM 2669 C CG . GLU B 2 142 ? -5.903 -15.076 35.859 1.00 47.97 ? 403 GLU B CG 1 ATOM 2670 C CD . GLU B 2 142 ? -6.839 -16.081 36.518 1.00 51.42 ? 403 GLU B CD 1 ATOM 2671 O OE1 . GLU B 2 142 ? -7.415 -16.907 35.798 1.00 59.88 ? 403 GLU B OE1 1 ATOM 2672 O OE2 . GLU B 2 142 ? -6.997 -16.052 37.759 1.00 50.34 ? 403 GLU B OE2 1 ATOM 2673 N N . TRP B 2 143 ? -4.304 -14.310 31.917 1.00 42.93 ? 404 TRP B N 1 ATOM 2674 C CA . TRP B 2 143 ? -4.062 -14.493 30.479 1.00 47.42 ? 404 TRP B CA 1 ATOM 2675 C C . TRP B 2 143 ? -4.140 -15.973 30.077 1.00 46.09 ? 404 TRP B C 1 ATOM 2676 O O . TRP B 2 143 ? -3.896 -16.867 30.883 1.00 47.45 ? 404 TRP B O 1 ATOM 2677 C CB . TRP B 2 143 ? -2.696 -13.929 30.082 1.00 46.29 ? 404 TRP B CB 1 ATOM 2678 C CG . TRP B 2 143 ? -2.577 -12.412 30.005 1.00 41.80 ? 404 TRP B CG 1 ATOM 2679 C CD1 . TRP B 2 143 ? -2.159 -11.577 31.001 1.00 41.81 ? 404 TRP B CD1 1 ATOM 2680 C CD2 . TRP B 2 143 ? -2.776 -11.588 28.862 1.00 38.93 ? 404 TRP B CD2 1 ATOM 2681 N NE1 . TRP B 2 143 ? -2.136 -10.279 30.562 1.00 38.26 ? 404 TRP B NE1 1 ATOM 2682 C CE2 . TRP B 2 143 ? -2.484 -10.257 29.247 1.00 39.71 ? 404 TRP B CE2 1 ATOM 2683 C CE3 . TRP B 2 143 ? -3.183 -11.835 27.551 1.00 43.63 ? 404 TRP B CE3 1 ATOM 2684 C CZ2 . TRP B 2 143 ? -2.593 -9.178 28.372 1.00 42.90 ? 404 TRP B CZ2 1 ATOM 2685 C CZ3 . TRP B 2 143 ? -3.288 -10.753 26.662 1.00 41.85 ? 404 TRP B CZ3 1 ATOM 2686 C CH2 . TRP B 2 143 ? -3.012 -9.442 27.085 1.00 44.18 ? 404 TRP B CH2 1 ATOM 2687 N N . GLU B 2 144 ? -4.470 -16.217 28.822 1.00 49.67 ? 405 GLU B N 1 ATOM 2688 C CA . GLU B 2 144 ? -4.617 -17.584 28.323 1.00 53.54 ? 405 GLU B CA 1 ATOM 2689 C C . GLU B 2 144 ? -4.298 -17.679 26.854 1.00 51.17 ? 405 GLU B C 1 ATOM 2690 O O . GLU B 2 144 ? -4.456 -16.703 26.123 1.00 49.19 ? 405 GLU B O 1 ATOM 2691 C CB . GLU B 2 144 ? -6.053 -18.065 28.515 1.00 57.04 ? 405 GLU B CB 1 ATOM 2692 C CG . GLU B 2 144 ? -6.276 -18.746 29.846 1.00 63.26 ? 405 GLU B CG 1 ATOM 2693 C CD . GLU B 2 144 ? -7.685 -19.276 30.002 1.00 67.99 ? 405 GLU B CD 1 ATOM 2694 O OE1 . GLU B 2 144 ? -8.540 -18.966 29.131 1.00 63.01 ? 405 GLU B OE1 1 ATOM 2695 O OE2 . GLU B 2 144 ? -7.919 -19.999 31.004 1.00 64.53 ? 405 GLU B OE2 1 ATOM 2696 N N . SER B 2 145 ? -3.870 -18.864 26.423 1.00 50.57 ? 406 SER B N 1 ATOM 2697 C CA . SER B 2 145 ? -3.887 -19.198 24.995 1.00 56.03 ? 406 SER B CA 1 ATOM 2698 C C . SER B 2 145 ? -4.388 -20.618 24.822 1.00 55.54 ? 406 SER B C 1 ATOM 2699 O O . SER B 2 145 ? -4.047 -21.480 25.623 1.00 53.44 ? 406 SER B O 1 ATOM 2700 C CB . SER B 2 145 ? -2.501 -19.040 24.379 1.00 55.97 ? 406 SER B CB 1 ATOM 2701 O OG . SER B 2 145 ? -2.637 -18.609 23.033 1.00 55.13 ? 406 SER B OG 1 ATOM 2702 N N . ASN B 2 146 ? -5.205 -20.865 23.797 1.00 62.21 ? 407 ASN B N 1 ATOM 2703 C CA . ASN B 2 146 ? -5.796 -22.197 23.588 1.00 66.01 ? 407 ASN B CA 1 ATOM 2704 C C . ASN B 2 146 ? -6.213 -22.846 24.896 1.00 68.70 ? 407 ASN B C 1 ATOM 2705 O O . ASN B 2 146 ? -5.805 -23.977 25.213 1.00 69.39 ? 407 ASN B O 1 ATOM 2706 C CB . ASN B 2 146 ? -4.829 -23.116 22.840 1.00 71.55 ? 407 ASN B CB 1 ATOM 2707 C CG . ASN B 2 146 ? -5.008 -23.043 21.338 1.00 81.33 ? 407 ASN B CG 1 ATOM 2708 O OD1 . ASN B 2 146 ? -6.037 -23.472 20.788 1.00 78.35 ? 407 ASN B OD1 1 ATOM 2709 N ND2 . ASN B 2 146 ? -4.000 -22.506 20.658 1.00 84.51 ? 407 ASN B ND2 1 ATOM 2710 N N . GLY B 2 147 ? -6.999 -22.098 25.669 1.00 67.74 ? 408 GLY B N 1 ATOM 2711 C CA . GLY B 2 147 ? -7.486 -22.554 26.966 1.00 68.57 ? 408 GLY B CA 1 ATOM 2712 C C . GLY B 2 147 ? -6.385 -23.002 27.895 1.00 68.20 ? 408 GLY B C 1 ATOM 2713 O O . GLY B 2 147 ? -6.630 -23.759 28.832 1.00 73.10 ? 408 GLY B O 1 ATOM 2714 N N . GLN B 2 148 ? -5.170 -22.528 27.640 1.00 67.53 ? 409 GLN B N 1 ATOM 2715 C CA . GLN B 2 148 ? -4.023 -22.854 28.474 1.00 73.67 ? 409 GLN B CA 1 ATOM 2716 C C . GLN B 2 148 ? -3.588 -21.590 29.188 1.00 65.03 ? 409 GLN B C 1 ATOM 2717 O O . GLN B 2 148 ? -3.463 -20.542 28.562 1.00 61.66 ? 409 GLN B O 1 ATOM 2718 C CB . GLN B 2 148 ? -2.862 -23.446 27.646 1.00 77.00 ? 409 GLN B CB 1 ATOM 2719 C CG . GLN B 2 148 ? -3.065 -24.906 27.291 1.00 79.96 ? 409 GLN B CG 1 ATOM 2720 C CD . GLN B 2 148 ? -3.610 -25.685 28.474 1.00 87.42 ? 409 GLN B CD 1 ATOM 2721 O OE1 . GLN B 2 148 ? -4.772 -26.100 28.474 1.00 85.96 ? 409 GLN B OE1 1 ATOM 2722 N NE2 . GLN B 2 148 ? -2.793 -25.830 29.521 1.00 90.59 ? 409 GLN B NE2 1 ATOM 2723 N N . PRO B 2 149 ? -3.396 -21.677 30.507 1.00 60.84 ? 410 PRO B N 1 ATOM 2724 C CA . PRO B 2 149 ? -2.890 -20.505 31.208 1.00 63.43 ? 410 PRO B CA 1 ATOM 2725 C C . PRO B 2 149 ? -1.493 -20.089 30.741 1.00 62.41 ? 410 PRO B C 1 ATOM 2726 O O . PRO B 2 149 ? -0.619 -20.935 30.563 1.00 62.83 ? 410 PRO B O 1 ATOM 2727 C CB . PRO B 2 149 ? -2.860 -20.961 32.673 1.00 62.73 ? 410 PRO B CB 1 ATOM 2728 C CG . PRO B 2 149 ? -3.918 -22.008 32.759 1.00 63.71 ? 410 PRO B CG 1 ATOM 2729 C CD . PRO B 2 149 ? -3.890 -22.711 31.433 1.00 61.48 ? 410 PRO B CD 1 ATOM 2730 N N . GLU B 2 150 ? -1.309 -18.795 30.514 1.00 63.21 ? 411 GLU B N 1 ATOM 2731 C CA . GLU B 2 150 ? 0.032 -18.208 30.454 1.00 61.69 ? 411 GLU B CA 1 ATOM 2732 C C . GLU B 2 150 ? 0.504 -17.904 31.876 1.00 63.52 ? 411 GLU B C 1 ATOM 2733 O O . GLU B 2 150 ? -0.304 -17.663 32.779 1.00 68.53 ? 411 GLU B O 1 ATOM 2734 C CB . GLU B 2 150 ? 0.024 -16.941 29.619 1.00 57.28 ? 411 GLU B CB 1 ATOM 2735 C CG . GLU B 2 150 ? -0.467 -17.185 28.206 1.00 59.63 ? 411 GLU B CG 1 ATOM 2736 C CD . GLU B 2 150 ? 0.576 -17.862 27.345 1.00 61.73 ? 411 GLU B CD 1 ATOM 2737 O OE1 . GLU B 2 150 ? 1.765 -17.481 27.465 1.00 63.38 ? 411 GLU B OE1 1 ATOM 2738 O OE2 . GLU B 2 150 ? 0.203 -18.751 26.545 1.00 58.68 ? 411 GLU B OE2 1 ATOM 2739 N N . ASN B 2 151 ? 1.811 -17.940 32.076 1.00 65.39 ? 412 ASN B N 1 ATOM 2740 C CA . ASN B 2 151 ? 2.392 -17.623 33.373 1.00 68.61 ? 412 ASN B CA 1 ATOM 2741 C C . ASN B 2 151 ? 3.139 -16.299 33.383 1.00 65.01 ? 412 ASN B C 1 ATOM 2742 O O . ASN B 2 151 ? 3.188 -15.627 34.424 1.00 64.77 ? 412 ASN B O 1 ATOM 2743 C CB . ASN B 2 151 ? 3.324 -18.748 33.841 1.00 76.83 ? 412 ASN B CB 1 ATOM 2744 C CG . ASN B 2 151 ? 4.278 -19.220 32.757 1.00 79.28 ? 412 ASN B CG 1 ATOM 2745 O OD1 . ASN B 2 151 ? 4.115 -20.316 32.224 1.00 86.02 ? 412 ASN B OD1 1 ATOM 2746 N ND2 . ASN B 2 151 ? 5.268 -18.395 32.420 1.00 78.62 ? 412 ASN B ND2 1 ATOM 2747 N N . ASN B 2 152 ? 3.701 -15.918 32.233 1.00 57.70 ? 413 ASN B N 1 ATOM 2748 C CA . ASN B 2 152 ? 4.661 -14.821 32.172 1.00 51.65 ? 413 ASN B CA 1 ATOM 2749 C C . ASN B 2 152 ? 3.995 -13.450 31.961 1.00 46.56 ? 413 ASN B C 1 ATOM 2750 O O . ASN B 2 152 ? 4.188 -12.744 30.952 1.00 44.77 ? 413 ASN B O 1 ATOM 2751 C CB . ASN B 2 152 ? 5.724 -15.103 31.113 1.00 54.86 ? 413 ASN B CB 1 ATOM 2752 C CG . ASN B 2 152 ? 6.967 -14.250 31.307 1.00 58.97 ? 413 ASN B CG 1 ATOM 2753 O OD1 . ASN B 2 152 ? 7.179 -13.680 32.382 1.00 61.11 ? 413 ASN B OD1 1 ATOM 2754 N ND2 . ASN B 2 152 ? 7.783 -14.139 30.264 1.00 59.56 ? 413 ASN B ND2 1 ATOM 2755 N N . TYR B 2 153 ? 3.194 -13.073 32.946 1.00 43.47 ? 414 TYR B N 1 ATOM 2756 C CA . TYR B 2 153 ? 2.493 -11.818 32.887 1.00 39.75 ? 414 TYR B CA 1 ATOM 2757 C C . TYR B 2 153 ? 2.578 -11.125 34.212 1.00 37.73 ? 414 TYR B C 1 ATOM 2758 O O . TYR B 2 153 ? 2.649 -11.747 35.258 1.00 36.15 ? 414 TYR B O 1 ATOM 2759 C CB . TYR B 2 153 ? 1.034 -12.027 32.463 1.00 40.48 ? 414 TYR B CB 1 ATOM 2760 C CG . TYR B 2 153 ? 0.115 -12.706 33.466 1.00 40.51 ? 414 TYR B CG 1 ATOM 2761 C CD1 . TYR B 2 153 ? -0.445 -11.987 34.537 1.00 39.74 ? 414 TYR B CD1 1 ATOM 2762 C CD2 . TYR B 2 153 ? -0.272 -14.052 33.302 1.00 42.00 ? 414 TYR B CD2 1 ATOM 2763 C CE1 . TYR B 2 153 ? -1.319 -12.592 35.416 1.00 40.21 ? 414 TYR B CE1 1 ATOM 2764 C CE2 . TYR B 2 153 ? -1.151 -14.661 34.187 1.00 39.64 ? 414 TYR B CE2 1 ATOM 2765 C CZ . TYR B 2 153 ? -1.665 -13.930 35.239 1.00 41.24 ? 414 TYR B CZ 1 ATOM 2766 O OH . TYR B 2 153 ? -2.519 -14.519 36.129 1.00 44.76 ? 414 TYR B OH 1 ATOM 2767 N N . LYS B 2 154 ? 2.560 -9.806 34.172 1.00 40.29 ? 415 LYS B N 1 ATOM 2768 C CA . LYS B 2 154 ? 2.441 -9.042 35.405 1.00 36.47 ? 415 LYS B CA 1 ATOM 2769 C C . LYS B 2 154 ? 1.319 -8.065 35.227 1.00 35.39 ? 415 LYS B C 1 ATOM 2770 O O . LYS B 2 154 ? 1.034 -7.608 34.108 1.00 30.32 ? 415 LYS B O 1 ATOM 2771 C CB . LYS B 2 154 ? 3.741 -8.308 35.712 1.00 38.82 ? 415 LYS B CB 1 ATOM 2772 C CG . LYS B 2 154 ? 4.932 -9.239 35.984 1.00 40.17 ? 415 LYS B CG 1 ATOM 2773 C CD . LYS B 2 154 ? 4.910 -9.864 37.382 1.00 39.34 ? 415 LYS B CD 1 ATOM 2774 C CE . LYS B 2 154 ? 6.143 -10.744 37.542 1.00 42.46 ? 415 LYS B CE 1 ATOM 2775 N NZ . LYS B 2 154 ? 6.335 -11.224 38.927 1.00 44.20 ? 415 LYS B NZ 1 ATOM 2776 N N . THR B 2 155 ? 0.684 -7.750 36.345 1.00 36.42 ? 416 THR B N 1 ATOM 2777 C CA . THR B 2 155 ? -0.422 -6.819 36.350 1.00 39.79 ? 416 THR B CA 1 ATOM 2778 C C . THR B 2 155 ? -0.106 -5.687 37.317 1.00 38.59 ? 416 THR B C 1 ATOM 2779 O O . THR B 2 155 ? 0.300 -5.939 38.460 1.00 33.41 ? 416 THR B O 1 ATOM 2780 C CB . THR B 2 155 ? -1.709 -7.541 36.791 1.00 39.40 ? 416 THR B CB 1 ATOM 2781 O OG1 . THR B 2 155 ? -1.926 -8.659 35.919 1.00 39.77 ? 416 THR B OG1 1 ATOM 2782 C CG2 . THR B 2 155 ? -2.914 -6.602 36.720 1.00 39.19 ? 416 THR B CG2 1 ATOM 2783 N N . THR B 2 156 ? -0.290 -4.444 36.868 1.00 37.95 ? 417 THR B N 1 ATOM 2784 C CA . THR B 2 156 ? -0.081 -3.316 37.767 1.00 35.95 ? 417 THR B CA 1 ATOM 2785 C C . THR B 2 156 ? -1.198 -3.297 38.816 1.00 35.86 ? 417 THR B C 1 ATOM 2786 O O . THR B 2 156 ? -2.271 -3.769 38.550 1.00 34.35 ? 417 THR B O 1 ATOM 2787 C CB . THR B 2 156 ? -0.116 -1.971 37.048 1.00 35.74 ? 417 THR B CB 1 ATOM 2788 O OG1 . THR B 2 156 ? -1.467 -1.633 36.750 1.00 35.28 ? 417 THR B OG1 1 ATOM 2789 C CG2 . THR B 2 156 ? 0.740 -1.958 35.788 1.00 35.96 ? 417 THR B CG2 1 ATOM 2790 N N . PRO B 2 157 ? -0.940 -2.751 40.012 1.00 35.50 ? 418 PRO B N 1 ATOM 2791 C CA . PRO B 2 157 ? -2.040 -2.418 40.916 1.00 37.29 ? 418 PRO B CA 1 ATOM 2792 C C . PRO B 2 157 ? -3.090 -1.493 40.257 1.00 37.39 ? 418 PRO B C 1 ATOM 2793 O O . PRO B 2 157 ? -2.812 -0.863 39.228 1.00 35.62 ? 418 PRO B O 1 ATOM 2794 C CB . PRO B 2 157 ? -1.358 -1.642 42.058 1.00 37.54 ? 418 PRO B CB 1 ATOM 2795 C CG . PRO B 2 157 ? 0.092 -1.987 41.963 1.00 37.88 ? 418 PRO B CG 1 ATOM 2796 C CD . PRO B 2 157 ? 0.349 -2.249 40.499 1.00 37.19 ? 418 PRO B CD 1 ATOM 2797 N N . PRO B 2 158 ? -4.293 -1.429 40.843 1.00 35.21 ? 419 PRO B N 1 ATOM 2798 C CA . PRO B 2 158 ? -5.280 -0.493 40.344 1.00 35.37 ? 419 PRO B CA 1 ATOM 2799 C C . PRO B 2 158 ? -4.841 0.911 40.668 1.00 34.85 ? 419 PRO B C 1 ATOM 2800 O O . PRO B 2 158 ? -4.192 1.144 41.686 1.00 34.41 ? 419 PRO B O 1 ATOM 2801 C CB . PRO B 2 158 ? -6.549 -0.858 41.127 1.00 36.02 ? 419 PRO B CB 1 ATOM 2802 C CG . PRO B 2 158 ? -6.252 -2.149 41.818 1.00 37.03 ? 419 PRO B CG 1 ATOM 2803 C CD . PRO B 2 158 ? -4.776 -2.140 42.035 1.00 36.13 ? 419 PRO B CD 1 ATOM 2804 N N . VAL B 2 159 ? -5.166 1.834 39.791 1.00 35.54 ? 420 VAL B N 1 ATOM 2805 C CA . VAL B 2 159 ? -4.806 3.220 39.968 1.00 34.99 ? 420 VAL B CA 1 ATOM 2806 C C . VAL B 2 159 ? -6.069 4.040 39.854 1.00 36.77 ? 420 VAL B C 1 ATOM 2807 O O . VAL B 2 159 ? -6.892 3.801 38.964 1.00 36.04 ? 420 VAL B O 1 ATOM 2808 C CB . VAL B 2 159 ? -3.847 3.685 38.881 1.00 35.02 ? 420 VAL B CB 1 ATOM 2809 C CG1 . VAL B 2 159 ? -3.575 5.187 39.017 1.00 35.44 ? 420 VAL B CG1 1 ATOM 2810 C CG2 . VAL B 2 159 ? -2.560 2.879 38.948 1.00 36.37 ? 420 VAL B CG2 1 ATOM 2811 N N . LEU B 2 160 ? -6.207 5.010 40.752 1.00 38.64 ? 421 LEU B N 1 ATOM 2812 C CA . LEU B 2 160 ? -7.359 5.899 40.765 1.00 39.84 ? 421 LEU B CA 1 ATOM 2813 C C . LEU B 2 160 ? -7.266 6.856 39.584 1.00 38.09 ? 421 LEU B C 1 ATOM 2814 O O . LEU B 2 160 ? -6.263 7.547 39.415 1.00 36.03 ? 421 LEU B O 1 ATOM 2815 C CB . LEU B 2 160 ? -7.410 6.659 42.092 1.00 40.92 ? 421 LEU B CB 1 ATOM 2816 C CG . LEU B 2 160 ? -8.688 7.468 42.399 1.00 44.05 ? 421 LEU B CG 1 ATOM 2817 C CD1 . LEU B 2 160 ? -9.976 6.662 42.323 1.00 43.65 ? 421 LEU B CD1 1 ATOM 2818 C CD2 . LEU B 2 160 ? -8.552 8.092 43.785 1.00 42.09 ? 421 LEU B CD2 1 ATOM 2819 N N . ASP B 2 161 ? -8.289 6.841 38.742 1.00 36.99 ? 422 ASP B N 1 ATOM 2820 C CA . ASP B 2 161 ? -8.384 7.729 37.599 1.00 40.39 ? 422 ASP B CA 1 ATOM 2821 C C . ASP B 2 161 ? -9.079 9.032 37.997 1.00 44.16 ? 422 ASP B C 1 ATOM 2822 O O . ASP B 2 161 ? -9.636 9.152 39.092 1.00 44.86 ? 422 ASP B O 1 ATOM 2823 C CB . ASP B 2 161 ? -9.169 7.048 36.483 1.00 42.81 ? 422 ASP B CB 1 ATOM 2824 C CG . ASP B 2 161 ? -8.585 7.286 35.117 1.00 45.33 ? 422 ASP B CG 1 ATOM 2825 O OD1 . ASP B 2 161 ? -7.938 8.329 34.894 1.00 50.97 ? 422 ASP B OD1 1 ATOM 2826 O OD2 . ASP B 2 161 ? -8.778 6.419 34.243 1.00 49.77 ? 422 ASP B OD2 1 ATOM 2827 N N . SER B 2 162 ? -9.059 10.015 37.107 1.00 49.41 ? 423 SER B N 1 ATOM 2828 C CA . SER B 2 162 ? -9.639 11.334 37.446 1.00 52.74 ? 423 SER B CA 1 ATOM 2829 C C . SER B 2 162 ? -11.125 11.291 37.785 1.00 48.38 ? 423 SER B C 1 ATOM 2830 O O . SER B 2 162 ? -11.574 12.029 38.654 1.00 52.45 ? 423 SER B O 1 ATOM 2831 C CB . SER B 2 162 ? -9.374 12.360 36.345 1.00 52.45 ? 423 SER B CB 1 ATOM 2832 O OG . SER B 2 162 ? -8.944 11.732 35.163 1.00 55.07 ? 423 SER B OG 1 ATOM 2833 N N . ASP B 2 163 ? -11.879 10.410 37.133 1.00 44.38 ? 424 ASP B N 1 ATOM 2834 C CA . ASP B 2 163 ? -13.309 10.287 37.409 1.00 41.14 ? 424 ASP B CA 1 ATOM 2835 C C . ASP B 2 163 ? -13.660 9.470 38.636 1.00 39.50 ? 424 ASP B C 1 ATOM 2836 O O . ASP B 2 163 ? -14.837 9.231 38.882 1.00 42.20 ? 424 ASP B O 1 ATOM 2837 C CB . ASP B 2 163 ? -14.056 9.698 36.208 1.00 43.67 ? 424 ASP B CB 1 ATOM 2838 C CG . ASP B 2 163 ? -13.676 8.260 35.919 1.00 46.76 ? 424 ASP B CG 1 ATOM 2839 O OD1 . ASP B 2 163 ? -12.870 7.666 36.665 1.00 50.40 ? 424 ASP B OD1 1 ATOM 2840 O OD2 . ASP B 2 163 ? -14.178 7.712 34.922 1.00 47.91 ? 424 ASP B OD2 1 ATOM 2841 N N . GLY B 2 164 ? -12.680 9.030 39.418 1.00 39.02 ? 425 GLY B N 1 ATOM 2842 C CA . GLY B 2 164 ? -12.990 8.217 40.621 1.00 37.27 ? 425 GLY B CA 1 ATOM 2843 C C . GLY B 2 164 ? -13.188 6.727 40.331 1.00 36.09 ? 425 GLY B C 1 ATOM 2844 O O . GLY B 2 164 ? -13.431 5.957 41.234 1.00 39.24 ? 425 GLY B O 1 ATOM 2845 N N . SER B 2 165 ? -13.085 6.316 39.076 1.00 33.13 ? 426 SER B N 1 ATOM 2846 C CA . SER B 2 165 ? -12.992 4.915 38.753 1.00 35.02 ? 426 SER B CA 1 ATOM 2847 C C . SER B 2 165 ? -11.505 4.535 38.784 1.00 37.48 ? 426 SER B C 1 ATOM 2848 O O . SER B 2 165 ? -10.632 5.423 38.946 1.00 36.98 ? 426 SER B O 1 ATOM 2849 C CB . SER B 2 165 ? -13.566 4.692 37.361 1.00 35.13 ? 426 SER B CB 1 ATOM 2850 O OG . SER B 2 165 ? -12.720 5.293 36.404 1.00 39.73 ? 426 SER B OG 1 ATOM 2851 N N . PHE B 2 166 ? -11.223 3.238 38.600 1.00 33.84 ? 427 PHE B N 1 ATOM 2852 C CA . PHE B 2 166 ? -9.861 2.701 38.650 1.00 31.79 ? 427 PHE B CA 1 ATOM 2853 C C . PHE B 2 166 ? -9.475 2.155 37.302 1.00 32.90 ? 427 PHE B C 1 ATOM 2854 O O . PHE B 2 166 ? -10.329 1.735 36.574 1.00 33.66 ? 427 PHE B O 1 ATOM 2855 C CB . PHE B 2 166 ? -9.791 1.548 39.643 1.00 30.80 ? 427 PHE B CB 1 ATOM 2856 C CG . PHE B 2 166 ? -9.803 1.991 41.037 1.00 29.95 ? 427 PHE B CG 1 ATOM 2857 C CD1 . PHE B 2 166 ? -10.994 2.166 41.704 1.00 33.31 ? 427 PHE B CD1 1 ATOM 2858 C CD2 . PHE B 2 166 ? -8.628 2.313 41.674 1.00 30.68 ? 427 PHE B CD2 1 ATOM 2859 C CE1 . PHE B 2 166 ? -11.022 2.631 43.013 1.00 33.04 ? 427 PHE B CE1 1 ATOM 2860 C CE2 . PHE B 2 166 ? -8.641 2.801 42.963 1.00 31.19 ? 427 PHE B CE2 1 ATOM 2861 C CZ . PHE B 2 166 ? -9.829 2.955 43.642 1.00 31.96 ? 427 PHE B CZ 1 ATOM 2862 N N . PHE B 2 167 ? -8.182 2.138 36.982 1.00 32.18 ? 428 PHE B N 1 ATOM 2863 C CA . PHE B 2 167 ? -7.696 1.380 35.849 1.00 30.90 ? 428 PHE B CA 1 ATOM 2864 C C . PHE B 2 167 ? -6.468 0.560 36.235 1.00 30.82 ? 428 PHE B C 1 ATOM 2865 O O . PHE B 2 167 ? -5.888 0.753 37.303 1.00 31.10 ? 428 PHE B O 1 ATOM 2866 C CB . PHE B 2 167 ? -7.348 2.311 34.701 1.00 32.39 ? 428 PHE B CB 1 ATOM 2867 C CG . PHE B 2 167 ? -6.119 3.129 34.938 1.00 31.99 ? 428 PHE B CG 1 ATOM 2868 C CD1 . PHE B 2 167 ? -6.193 4.308 35.613 1.00 32.22 ? 428 PHE B CD1 1 ATOM 2869 C CD2 . PHE B 2 167 ? -4.904 2.710 34.479 1.00 32.53 ? 428 PHE B CD2 1 ATOM 2870 C CE1 . PHE B 2 167 ? -5.071 5.071 35.805 1.00 34.29 ? 428 PHE B CE1 1 ATOM 2871 C CE2 . PHE B 2 167 ? -3.768 3.469 34.672 1.00 31.60 ? 428 PHE B CE2 1 ATOM 2872 C CZ . PHE B 2 167 ? -3.850 4.652 35.322 1.00 30.44 ? 428 PHE B CZ 1 ATOM 2873 N N . LEU B 2 168 ? -6.066 -0.352 35.365 1.00 28.73 ? 429 LEU B N 1 ATOM 2874 C CA . LEU B 2 168 ? -4.782 -0.997 35.513 1.00 29.79 ? 429 LEU B CA 1 ATOM 2875 C C . LEU B 2 168 ? -4.394 -1.431 34.146 1.00 31.55 ? 429 LEU B C 1 ATOM 2876 O O . LEU B 2 168 ? -5.208 -1.336 33.250 1.00 32.51 ? 429 LEU B O 1 ATOM 2877 C CB . LEU B 2 168 ? -4.833 -2.194 36.472 1.00 29.76 ? 429 LEU B CB 1 ATOM 2878 C CG . LEU B 2 168 ? -5.833 -3.325 36.172 1.00 31.60 ? 429 LEU B CG 1 ATOM 2879 C CD1 . LEU B 2 168 ? -5.467 -4.110 34.915 1.00 28.88 ? 429 LEU B CD1 1 ATOM 2880 C CD2 . LEU B 2 168 ? -5.961 -4.278 37.359 1.00 30.55 ? 429 LEU B CD2 1 ATOM 2881 N N . TYR B 2 169 ? -3.149 -1.889 33.995 1.00 32.90 ? 430 TYR B N 1 ATOM 2882 C CA . TYR B 2 169 ? -2.676 -2.551 32.783 1.00 33.73 ? 430 TYR B CA 1 ATOM 2883 C C . TYR B 2 169 ? -2.132 -3.914 33.159 1.00 33.36 ? 430 TYR B C 1 ATOM 2884 O O . TYR B 2 169 ? -1.536 -4.063 34.232 1.00 34.40 ? 430 TYR B O 1 ATOM 2885 C CB . TYR B 2 169 ? -1.538 -1.749 32.141 1.00 34.53 ? 430 TYR B CB 1 ATOM 2886 C CG . TYR B 2 169 ? -1.966 -0.520 31.419 1.00 35.99 ? 430 TYR B CG 1 ATOM 2887 C CD1 . TYR B 2 169 ? -2.208 0.656 32.105 1.00 37.76 ? 430 TYR B CD1 1 ATOM 2888 C CD2 . TYR B 2 169 ? -2.129 -0.518 30.052 1.00 37.70 ? 430 TYR B CD2 1 ATOM 2889 C CE1 . TYR B 2 169 ? -2.586 1.809 31.439 1.00 36.93 ? 430 TYR B CE1 1 ATOM 2890 C CE2 . TYR B 2 169 ? -2.505 0.641 29.372 1.00 39.39 ? 430 TYR B CE2 1 ATOM 2891 C CZ . TYR B 2 169 ? -2.731 1.798 30.074 1.00 36.69 ? 430 TYR B CZ 1 ATOM 2892 O OH . TYR B 2 169 ? -3.116 2.951 29.425 1.00 39.56 ? 430 TYR B OH 1 ATOM 2893 N N . SER B 2 170 ? -2.326 -4.899 32.286 1.00 35.74 ? 431 SER B N 1 ATOM 2894 C CA . SER B 2 170 ? -1.649 -6.197 32.423 1.00 36.70 ? 431 SER B CA 1 ATOM 2895 C C . SER B 2 170 ? -0.750 -6.390 31.244 1.00 36.54 ? 431 SER B C 1 ATOM 2896 O O . SER B 2 170 ? -1.114 -6.021 30.133 1.00 34.17 ? 431 SER B O 1 ATOM 2897 C CB . SER B 2 170 ? -2.636 -7.353 32.482 1.00 38.44 ? 431 SER B CB 1 ATOM 2898 O OG . SER B 2 170 ? -1.997 -8.548 32.944 1.00 38.98 ? 431 SER B OG 1 ATOM 2899 N N . LYS B 2 171 ? 0.423 -6.970 31.482 1.00 36.03 ? 432 LYS B N 1 ATOM 2900 C CA . LYS B 2 171 ? 1.425 -7.136 30.424 1.00 35.81 ? 432 LYS B CA 1 ATOM 2901 C C . LYS B 2 171 ? 1.783 -8.577 30.287 1.00 34.24 ? 432 LYS B C 1 ATOM 2902 O O . LYS B 2 171 ? 2.314 -9.204 31.229 1.00 32.29 ? 432 LYS B O 1 ATOM 2903 C CB . LYS B 2 171 ? 2.724 -6.360 30.734 1.00 38.94 ? 432 LYS B CB 1 ATOM 2904 C CG . LYS B 2 171 ? 3.800 -6.551 29.676 1.00 38.49 ? 432 LYS B CG 1 ATOM 2905 C CD . LYS B 2 171 ? 4.857 -5.458 29.688 1.00 37.34 ? 432 LYS B CD 1 ATOM 2906 C CE . LYS B 2 171 ? 5.713 -5.493 30.937 1.00 36.17 ? 432 LYS B CE 1 ATOM 2907 N NZ . LYS B 2 171 ? 6.541 -6.720 31.016 1.00 35.67 ? 432 LYS B NZ 1 ATOM 2908 N N . LEU B 2 172 ? 1.526 -9.121 29.112 1.00 33.94 ? 433 LEU B N 1 ATOM 2909 C CA . LEU B 2 172 ? 1.884 -10.512 28.889 1.00 36.48 ? 433 LEU B CA 1 ATOM 2910 C C . LEU B 2 172 ? 3.111 -10.536 28.042 1.00 35.44 ? 433 LEU B C 1 ATOM 2911 O O . LEU B 2 172 ? 3.157 -9.907 26.993 1.00 35.30 ? 433 LEU B O 1 ATOM 2912 C CB . LEU B 2 172 ? 0.754 -11.282 28.207 1.00 37.31 ? 433 LEU B CB 1 ATOM 2913 C CG . LEU B 2 172 ? 1.141 -12.665 27.690 1.00 37.43 ? 433 LEU B CG 1 ATOM 2914 C CD1 . LEU B 2 172 ? 1.574 -13.549 28.851 1.00 38.33 ? 433 LEU B CD1 1 ATOM 2915 C CD2 . LEU B 2 172 ? -0.035 -13.289 26.954 1.00 39.19 ? 433 LEU B CD2 1 ATOM 2916 N N . THR B 2 173 ? 4.114 -11.270 28.479 1.00 38.31 ? 434 THR B N 1 ATOM 2917 C CA . THR B 2 173 ? 5.316 -11.337 27.691 1.00 44.17 ? 434 THR B CA 1 ATOM 2918 C C . THR B 2 173 ? 5.411 -12.675 26.935 1.00 45.07 ? 434 THR B C 1 ATOM 2919 O O . THR B 2 173 ? 5.380 -13.748 27.550 1.00 42.53 ? 434 THR B O 1 ATOM 2920 C CB . THR B 2 173 ? 6.540 -11.118 28.590 1.00 46.35 ? 434 THR B CB 1 ATOM 2921 O OG1 . THR B 2 173 ? 6.603 -9.737 28.936 1.00 47.58 ? 434 THR B OG1 1 ATOM 2922 C CG2 . THR B 2 173 ? 7.843 -11.513 27.864 1.00 49.05 ? 434 THR B CG2 1 ATOM 2923 N N . VAL B 2 174 ? 5.552 -12.608 25.613 1.00 46.25 ? 435 VAL B N 1 ATOM 2924 C CA . VAL B 2 174 ? 5.764 -13.839 24.830 1.00 54.76 ? 435 VAL B CA 1 ATOM 2925 C C . VAL B 2 174 ? 6.952 -13.791 23.860 1.00 56.98 ? 435 VAL B C 1 ATOM 2926 O O . VAL B 2 174 ? 7.317 -12.722 23.352 1.00 51.11 ? 435 VAL B O 1 ATOM 2927 C CB . VAL B 2 174 ? 4.505 -14.231 24.025 1.00 54.36 ? 435 VAL B CB 1 ATOM 2928 C CG1 . VAL B 2 174 ? 3.329 -14.468 24.962 1.00 56.17 ? 435 VAL B CG1 1 ATOM 2929 C CG2 . VAL B 2 174 ? 4.170 -13.177 22.990 1.00 52.63 ? 435 VAL B CG2 1 ATOM 2930 N N . ASP B 2 175 ? 7.533 -14.966 23.594 1.00 60.42 ? 436 ASP B N 1 ATOM 2931 C CA . ASP B 2 175 ? 8.482 -15.110 22.476 1.00 62.45 ? 436 ASP B CA 1 ATOM 2932 C C . ASP B 2 175 ? 7.823 -14.580 21.206 1.00 62.14 ? 436 ASP B C 1 ATOM 2933 O O . ASP B 2 175 ? 6.705 -14.968 20.865 1.00 67.71 ? 436 ASP B O 1 ATOM 2934 C CB . ASP B 2 175 ? 8.891 -16.564 22.256 1.00 61.47 ? 436 ASP B CB 1 ATOM 2935 C CG . ASP B 2 175 ? 9.463 -17.205 23.500 1.00 68.22 ? 436 ASP B CG 1 ATOM 2936 O OD1 . ASP B 2 175 ? 10.247 -16.539 24.225 1.00 67.85 ? 436 ASP B OD1 1 ATOM 2937 O OD2 . ASP B 2 175 ? 9.110 -18.380 23.758 1.00 68.31 ? 436 ASP B OD2 1 ATOM 2938 N N . LYS B 2 176 ? 8.520 -13.684 20.523 1.00 58.19 ? 437 LYS B N 1 ATOM 2939 C CA . LYS B 2 176 ? 8.011 -13.024 19.334 1.00 59.68 ? 437 LYS B CA 1 ATOM 2940 C C . LYS B 2 176 ? 7.529 -14.007 18.253 1.00 64.13 ? 437 LYS B C 1 ATOM 2941 O O . LYS B 2 176 ? 6.668 -13.663 17.432 1.00 59.88 ? 437 LYS B O 1 ATOM 2942 C CB . LYS B 2 176 ? 9.115 -12.124 18.778 1.00 62.22 ? 437 LYS B CB 1 ATOM 2943 C CG . LYS B 2 176 ? 8.802 -11.388 17.483 1.00 64.13 ? 437 LYS B CG 1 ATOM 2944 C CD . LYS B 2 176 ? 9.966 -10.491 17.070 1.00 68.96 ? 437 LYS B CD 1 ATOM 2945 C CE . LYS B 2 176 ? 11.242 -11.273 16.735 1.00 72.14 ? 437 LYS B CE 1 ATOM 2946 N NZ . LYS B 2 176 ? 12.373 -10.378 16.351 1.00 71.73 ? 437 LYS B NZ 1 ATOM 2947 N N . SER B 2 177 ? 8.095 -15.215 18.248 1.00 65.25 ? 438 SER B N 1 ATOM 2948 C CA . SER B 2 177 ? 7.754 -16.221 17.247 1.00 69.63 ? 438 SER B CA 1 ATOM 2949 C C . SER B 2 177 ? 6.286 -16.625 17.386 1.00 74.08 ? 438 SER B C 1 ATOM 2950 O O . SER B 2 177 ? 5.548 -16.667 16.381 1.00 69.81 ? 438 SER B O 1 ATOM 2951 C CB . SER B 2 177 ? 8.655 -17.448 17.382 1.00 70.33 ? 438 SER B CB 1 ATOM 2952 O OG . SER B 2 177 ? 8.349 -18.201 18.547 1.00 74.74 ? 438 SER B OG 1 ATOM 2953 N N . ARG B 2 178 ? 5.867 -16.882 18.634 1.00 69.07 ? 439 ARG B N 1 ATOM 2954 C CA . ARG B 2 178 ? 4.466 -17.200 18.943 1.00 62.98 ? 439 ARG B CA 1 ATOM 2955 C C . ARG B 2 178 ? 3.552 -16.099 18.458 1.00 60.80 ? 439 ARG B C 1 ATOM 2956 O O . ARG B 2 178 ? 2.551 -16.361 17.813 1.00 64.49 ? 439 ARG B O 1 ATOM 2957 C CB . ARG B 2 178 ? 4.250 -17.417 20.430 1.00 60.06 ? 439 ARG B CB 1 ATOM 2958 C CG . ARG B 2 178 ? 4.993 -18.618 20.981 1.00 63.55 ? 439 ARG B CG 1 ATOM 2959 C CD . ARG B 2 178 ? 4.795 -18.735 22.476 1.00 67.89 ? 439 ARG B CD 1 ATOM 2960 N NE . ARG B 2 178 ? 3.411 -19.053 22.813 1.00 73.51 ? 439 ARG B NE 1 ATOM 2961 C CZ . ARG B 2 178 ? 2.927 -19.104 24.050 1.00 78.70 ? 439 ARG B CZ 1 ATOM 2962 N NH1 . ARG B 2 178 ? 3.708 -18.838 25.094 1.00 83.51 ? 439 ARG B NH1 1 ATOM 2963 N NH2 . ARG B 2 178 ? 1.652 -19.423 24.247 1.00 80.55 ? 439 ARG B NH2 1 ATOM 2964 N N . TRP B 2 179 ? 3.908 -14.856 18.741 1.00 64.03 ? 440 TRP B N 1 ATOM 2965 C CA . TRP B 2 179 ? 3.107 -13.741 18.260 1.00 61.77 ? 440 TRP B CA 1 ATOM 2966 C C . TRP B 2 179 ? 3.077 -13.731 16.741 1.00 65.75 ? 440 TRP B C 1 ATOM 2967 O O . TRP B 2 179 ? 2.025 -13.498 16.129 1.00 65.32 ? 440 TRP B O 1 ATOM 2968 C CB . TRP B 2 179 ? 3.651 -12.410 18.784 1.00 56.10 ? 440 TRP B CB 1 ATOM 2969 C CG . TRP B 2 179 ? 2.932 -11.210 18.249 1.00 50.00 ? 440 TRP B CG 1 ATOM 2970 C CD1 . TRP B 2 179 ? 3.435 -10.272 17.409 1.00 48.36 ? 440 TRP B CD1 1 ATOM 2971 C CD2 . TRP B 2 179 ? 1.573 -10.829 18.514 1.00 49.66 ? 440 TRP B CD2 1 ATOM 2972 N NE1 . TRP B 2 179 ? 2.477 -9.321 17.127 1.00 51.57 ? 440 TRP B NE1 1 ATOM 2973 C CE2 . TRP B 2 179 ? 1.327 -9.636 17.799 1.00 47.99 ? 440 TRP B CE2 1 ATOM 2974 C CE3 . TRP B 2 179 ? 0.547 -11.375 19.291 1.00 50.35 ? 440 TRP B CE3 1 ATOM 2975 C CZ2 . TRP B 2 179 ? 0.107 -8.975 17.838 1.00 46.80 ? 440 TRP B CZ2 1 ATOM 2976 C CZ3 . TRP B 2 179 ? -0.676 -10.729 19.321 1.00 49.47 ? 440 TRP B CZ3 1 ATOM 2977 C CH2 . TRP B 2 179 ? -0.885 -9.530 18.595 1.00 49.81 ? 440 TRP B CH2 1 ATOM 2978 N N . GLN B 2 180 ? 4.243 -13.975 16.145 1.00 70.06 ? 441 GLN B N 1 ATOM 2979 C CA . GLN B 2 180 ? 4.398 -13.915 14.693 1.00 71.43 ? 441 GLN B CA 1 ATOM 2980 C C . GLN B 2 180 ? 3.645 -15.050 14.023 1.00 65.61 ? 441 GLN B C 1 ATOM 2981 O O . GLN B 2 180 ? 2.939 -14.820 13.046 1.00 64.88 ? 441 GLN B O 1 ATOM 2982 C CB . GLN B 2 180 ? 5.873 -13.942 14.298 1.00 74.72 ? 441 GLN B CB 1 ATOM 2983 C CG . GLN B 2 180 ? 6.542 -12.573 14.332 1.00 74.71 ? 441 GLN B CG 1 ATOM 2984 C CD . GLN B 2 180 ? 8.062 -12.663 14.398 1.00 75.89 ? 441 GLN B CD 1 ATOM 2985 O OE1 . GLN B 2 180 ? 8.627 -13.700 14.771 1.00 76.05 ? 441 GLN B OE1 1 ATOM 2986 N NE2 . GLN B 2 180 ? 8.731 -11.566 14.060 1.00 70.48 ? 441 GLN B NE2 1 ATOM 2987 N N . GLN B 2 181 ? 3.781 -16.258 14.563 1.00 63.48 ? 442 GLN B N 1 ATOM 2988 C CA . GLN B 2 181 ? 2.970 -17.400 14.138 1.00 66.80 ? 442 GLN B CA 1 ATOM 2989 C C . GLN B 2 181 ? 1.505 -16.975 13.915 1.00 70.43 ? 442 GLN B C 1 ATOM 2990 O O . GLN B 2 181 ? 0.944 -17.225 12.854 1.00 78.46 ? 442 GLN B O 1 ATOM 2991 C CB . GLN B 2 181 ? 3.064 -18.550 15.158 1.00 63.17 ? 442 GLN B CB 1 ATOM 2992 N N . GLY B 2 182 ? 0.917 -16.281 14.889 1.00 72.29 ? 443 GLY B N 1 ATOM 2993 C CA . GLY B 2 182 ? -0.463 -15.787 14.792 1.00 67.29 ? 443 GLY B CA 1 ATOM 2994 C C . GLY B 2 182 ? -1.407 -16.379 15.832 1.00 69.99 ? 443 GLY B C 1 ATOM 2995 O O . GLY B 2 182 ? -2.634 -16.240 15.694 1.00 68.62 ? 443 GLY B O 1 ATOM 2996 N N . ASN B 2 183 ? -0.847 -17.024 16.869 1.00 64.93 ? 444 ASN B N 1 ATOM 2997 C CA . ASN B 2 183 ? -1.632 -17.579 17.980 1.00 64.15 ? 444 ASN B CA 1 ATOM 2998 C C . ASN B 2 183 ? -2.493 -16.518 18.672 1.00 66.49 ? 444 ASN B C 1 ATOM 2999 O O . ASN B 2 183 ? -2.161 -15.315 18.698 1.00 59.75 ? 444 ASN B O 1 ATOM 3000 C CB . ASN B 2 183 ? -0.751 -18.220 19.058 1.00 64.85 ? 444 ASN B CB 1 ATOM 3001 C CG . ASN B 2 183 ? 0.408 -19.027 18.492 1.00 70.43 ? 444 ASN B CG 1 ATOM 3002 O OD1 . ASN B 2 183 ? 1.032 -18.632 17.505 1.00 73.83 ? 444 ASN B OD1 1 ATOM 3003 N ND2 . ASN B 2 183 ? 0.727 -20.148 19.143 1.00 70.72 ? 444 ASN B ND2 1 ATOM 3004 N N . VAL B 2 184 ? -3.597 -16.987 19.245 1.00 66.30 ? 445 VAL B N 1 ATOM 3005 C CA . VAL B 2 184 ? -4.566 -16.118 19.903 1.00 62.99 ? 445 VAL B CA 1 ATOM 3006 C C . VAL B 2 184 ? -4.283 -16.115 21.392 1.00 57.62 ? 445 VAL B C 1 ATOM 3007 O O . VAL B 2 184 ? -4.033 -17.157 22.010 1.00 53.80 ? 445 VAL B O 1 ATOM 3008 C CB . VAL B 2 184 ? -6.021 -16.566 19.624 1.00 68.14 ? 445 VAL B CB 1 ATOM 3009 C CG1 . VAL B 2 184 ? -7.009 -15.805 20.504 1.00 69.81 ? 445 VAL B CG1 1 ATOM 3010 C CG2 . VAL B 2 184 ? -6.354 -16.369 18.151 1.00 64.66 ? 445 VAL B CG2 1 ATOM 3011 N N . PHE B 2 185 ? -4.285 -14.920 21.954 1.00 55.52 ? 446 PHE B N 1 ATOM 3012 C CA . PHE B 2 185 ? -4.049 -14.738 23.375 1.00 53.36 ? 446 PHE B CA 1 ATOM 3013 C C . PHE B 2 185 ? -5.253 -14.004 23.936 1.00 48.07 ? 446 PHE B C 1 ATOM 3014 O O . PHE B 2 185 ? -5.814 -13.106 23.290 1.00 48.23 ? 446 PHE B O 1 ATOM 3015 C CB . PHE B 2 185 ? -2.766 -13.937 23.586 1.00 52.66 ? 446 PHE B CB 1 ATOM 3016 C CG . PHE B 2 185 ? -1.508 -14.733 23.348 1.00 50.49 ? 446 PHE B CG 1 ATOM 3017 C CD1 . PHE B 2 185 ? -1.045 -15.625 24.307 1.00 50.41 ? 446 PHE B CD1 1 ATOM 3018 C CD2 . PHE B 2 185 ? -0.786 -14.586 22.175 1.00 51.56 ? 446 PHE B CD2 1 ATOM 3019 C CE1 . PHE B 2 185 ? 0.111 -16.362 24.101 1.00 51.20 ? 446 PHE B CE1 1 ATOM 3020 C CE2 . PHE B 2 185 ? 0.373 -15.318 21.962 1.00 52.18 ? 446 PHE B CE2 1 ATOM 3021 C CZ . PHE B 2 185 ? 0.825 -16.199 22.927 1.00 51.46 ? 446 PHE B CZ 1 ATOM 3022 N N . SER B 2 186 ? -5.665 -14.389 25.127 1.00 45.33 ? 447 SER B N 1 ATOM 3023 C CA . SER B 2 186 ? -6.844 -13.777 25.734 1.00 47.99 ? 447 SER B CA 1 ATOM 3024 C C . SER B 2 186 ? -6.561 -13.228 27.136 1.00 47.07 ? 447 SER B C 1 ATOM 3025 O O . SER B 2 186 ? -5.990 -13.912 28.005 1.00 38.00 ? 447 SER B O 1 ATOM 3026 C CB . SER B 2 186 ? -8.019 -14.772 25.777 1.00 48.62 ? 447 SER B CB 1 ATOM 3027 O OG . SER B 2 186 ? -7.617 -16.000 26.371 1.00 55.48 ? 447 SER B OG 1 ATOM 3028 N N . CYS B 2 187 ? -6.979 -11.985 27.327 1.00 43.76 ? 448 CYS B N 1 ATOM 3029 C CA . CYS B 2 187 ? -6.955 -11.355 28.613 1.00 44.45 ? 448 CYS B CA 1 ATOM 3030 C C . CYS B 2 187 ? -8.304 -11.657 29.218 1.00 42.44 ? 448 CYS B C 1 ATOM 3031 O O . CYS B 2 187 ? -9.327 -11.276 28.671 1.00 40.61 ? 448 CYS B O 1 ATOM 3032 C CB . CYS B 2 187 ? -6.791 -9.844 28.421 1.00 47.33 ? 448 CYS B CB 1 ATOM 3033 S SG . CYS B 2 187 ? -6.862 -8.880 29.946 1.00 52.94 ? 448 CYS B SG 1 ATOM 3034 N N . SER B 2 188 ? -8.331 -12.315 30.357 1.00 40.39 ? 449 SER B N 1 ATOM 3035 C CA . SER B 2 188 ? -9.591 -12.472 31.052 1.00 41.63 ? 449 SER B CA 1 ATOM 3036 C C . SER B 2 188 ? -9.616 -11.648 32.339 1.00 38.54 ? 449 SER B C 1 ATOM 3037 O O . SER B 2 188 ? -8.621 -11.568 33.067 1.00 37.09 ? 449 SER B O 1 ATOM 3038 C CB . SER B 2 188 ? -9.860 -13.936 31.345 1.00 41.37 ? 449 SER B CB 1 ATOM 3039 O OG . SER B 2 188 ? -9.067 -14.320 32.416 1.00 46.84 ? 449 SER B OG 1 ATOM 3040 N N . VAL B 2 189 ? -10.775 -11.056 32.604 1.00 36.38 ? 450 VAL B N 1 ATOM 3041 C CA . VAL B 2 189 ? -10.970 -10.114 33.714 1.00 36.06 ? 450 VAL B CA 1 ATOM 3042 C C . VAL B 2 189 ? -12.202 -10.498 34.545 1.00 35.75 ? 450 VAL B C 1 ATOM 3043 O O . VAL B 2 189 ? -13.269 -10.744 33.995 1.00 34.92 ? 450 VAL B O 1 ATOM 3044 C CB . VAL B 2 189 ? -11.205 -8.714 33.144 1.00 34.72 ? 450 VAL B CB 1 ATOM 3045 C CG1 . VAL B 2 189 ? -11.475 -7.715 34.250 1.00 37.24 ? 450 VAL B CG1 1 ATOM 3046 C CG2 . VAL B 2 189 ? -10.003 -8.291 32.332 1.00 35.48 ? 450 VAL B CG2 1 ATOM 3047 N N . MET B 2 190 ? -12.060 -10.511 35.864 1.00 36.97 ? 451 MET B N 1 ATOM 3048 C CA . MET B 2 190 ? -13.166 -10.864 36.756 1.00 39.28 ? 451 MET B CA 1 ATOM 3049 C C . MET B 2 190 ? -13.468 -9.705 37.675 1.00 35.36 ? 451 MET B C 1 ATOM 3050 O O . MET B 2 190 ? -12.568 -9.191 38.307 1.00 33.77 ? 451 MET B O 1 ATOM 3051 C CB . MET B 2 190 ? -12.796 -12.083 37.602 1.00 40.98 ? 451 MET B CB 1 ATOM 3052 C CG . MET B 2 190 ? -12.688 -13.374 36.795 1.00 45.87 ? 451 MET B CG 1 ATOM 3053 S SD . MET B 2 190 ? -11.451 -14.539 37.442 1.00 55.19 ? 451 MET B SD 1 ATOM 3054 C CE . MET B 2 190 ? -9.982 -13.966 36.568 1.00 51.12 ? 451 MET B CE 1 ATOM 3055 N N . HIS B 2 191 ? -14.744 -9.329 37.772 1.00 36.76 ? 452 HIS B N 1 ATOM 3056 C CA . HIS B 2 191 ? -15.174 -8.166 38.545 1.00 35.98 ? 452 HIS B CA 1 ATOM 3057 C C . HIS B 2 191 ? -16.660 -8.265 38.829 1.00 35.63 ? 452 HIS B C 1 ATOM 3058 O O . HIS B 2 191 ? -17.401 -8.736 37.998 1.00 34.14 ? 452 HIS B O 1 ATOM 3059 C CB . HIS B 2 191 ? -14.905 -6.899 37.747 1.00 36.35 ? 452 HIS B CB 1 ATOM 3060 C CG . HIS B 2 191 ? -15.018 -5.648 38.555 1.00 39.81 ? 452 HIS B CG 1 ATOM 3061 N ND1 . HIS B 2 191 ? -16.188 -4.936 38.656 1.00 39.80 ? 452 HIS B ND1 1 ATOM 3062 C CD2 . HIS B 2 191 ? -14.112 -4.989 39.313 1.00 40.29 ? 452 HIS B CD2 1 ATOM 3063 C CE1 . HIS B 2 191 ? -16.002 -3.887 39.429 1.00 39.83 ? 452 HIS B CE1 1 ATOM 3064 N NE2 . HIS B 2 191 ? -14.752 -3.904 39.853 1.00 39.37 ? 452 HIS B NE2 1 ATOM 3065 N N . GLU B 2 192 ? -17.100 -7.793 39.987 1.00 35.86 ? 453 GLU B N 1 ATOM 3066 C CA . GLU B 2 192 ? -18.501 -7.933 40.342 1.00 38.61 ? 453 GLU B CA 1 ATOM 3067 C C . GLU B 2 192 ? -19.472 -7.303 39.366 1.00 36.27 ? 453 GLU B C 1 ATOM 3068 O O . GLU B 2 192 ? -20.584 -7.798 39.227 1.00 35.96 ? 453 GLU B O 1 ATOM 3069 C CB . GLU B 2 192 ? -18.803 -7.440 41.755 1.00 40.52 ? 453 GLU B CB 1 ATOM 3070 C CG . GLU B 2 192 ? -18.641 -5.955 41.989 1.00 42.75 ? 453 GLU B CG 1 ATOM 3071 C CD . GLU B 2 192 ? -19.235 -5.551 43.319 1.00 42.51 ? 453 GLU B CD 1 ATOM 3072 O OE1 . GLU B 2 192 ? -18.515 -4.982 44.148 1.00 45.40 ? 453 GLU B OE1 1 ATOM 3073 O OE2 . GLU B 2 192 ? -20.421 -5.828 43.548 1.00 46.23 ? 453 GLU B OE2 1 ATOM 3074 N N . ALA B 2 193 ? -19.052 -6.266 38.661 1.00 34.98 ? 454 ALA B N 1 ATOM 3075 C CA . ALA B 2 193 ? -19.941 -5.540 37.729 1.00 38.64 ? 454 ALA B CA 1 ATOM 3076 C C . ALA B 2 193 ? -19.997 -6.112 36.303 1.00 38.28 ? 454 ALA B C 1 ATOM 3077 O O . ALA B 2 193 ? -20.737 -5.622 35.464 1.00 44.80 ? 454 ALA B O 1 ATOM 3078 C CB . ALA B 2 193 ? -19.550 -4.066 37.678 1.00 36.10 ? 454 ALA B CB 1 ATOM 3079 N N . LEU B 2 194 ? -19.191 -7.113 36.013 1.00 41.02 ? 455 LEU B N 1 ATOM 3080 C CA . LEU B 2 194 ? -19.345 -7.848 34.762 1.00 40.09 ? 455 LEU B CA 1 ATOM 3081 C C . LEU B 2 194 ? -20.489 -8.850 34.877 1.00 40.52 ? 455 LEU B C 1 ATOM 3082 O O . LEU B 2 194 ? -20.737 -9.422 35.961 1.00 38.27 ? 455 LEU B O 1 ATOM 3083 C CB . LEU B 2 194 ? -18.075 -8.617 34.453 1.00 41.20 ? 455 LEU B CB 1 ATOM 3084 C CG . LEU B 2 194 ? -16.892 -7.737 34.088 1.00 42.96 ? 455 LEU B CG 1 ATOM 3085 C CD1 . LEU B 2 194 ? -15.614 -8.574 33.975 1.00 43.30 ? 455 LEU B CD1 1 ATOM 3086 C CD2 . LEU B 2 194 ? -17.217 -7.022 32.784 1.00 42.63 ? 455 LEU B CD2 1 ATOM 3087 N N . HIS B 2 195 ? -21.173 -9.059 33.760 1.00 38.74 ? 456 HIS B N 1 ATOM 3088 C CA . HIS B 2 195 ? -22.123 -10.146 33.644 1.00 44.16 ? 456 HIS B CA 1 ATOM 3089 C C . HIS B 2 195 ? -21.366 -11.476 33.879 1.00 43.93 ? 456 HIS B C 1 ATOM 3090 O O . HIS B 2 195 ? -20.286 -11.688 33.333 1.00 43.36 ? 456 HIS B O 1 ATOM 3091 C CB . HIS B 2 195 ? -22.777 -10.108 32.265 1.00 47.03 ? 456 HIS B CB 1 ATOM 3092 C CG . HIS B 2 195 ? -23.883 -11.099 32.105 1.00 57.06 ? 456 HIS B CG 1 ATOM 3093 N ND1 . HIS B 2 195 ? -23.948 -11.981 31.043 1.00 56.23 ? 456 HIS B ND1 1 ATOM 3094 C CD2 . HIS B 2 195 ? -24.950 -11.375 32.895 1.00 55.69 ? 456 HIS B CD2 1 ATOM 3095 C CE1 . HIS B 2 195 ? -25.027 -12.732 31.171 1.00 57.83 ? 456 HIS B CE1 1 ATOM 3096 N NE2 . HIS B 2 195 ? -25.646 -12.391 32.291 1.00 57.11 ? 456 HIS B NE2 1 ATOM 3097 N N . ASN B 2 196 ? -21.905 -12.329 34.737 1.00 41.24 ? 457 ASN B N 1 ATOM 3098 C CA . ASN B 2 196 ? -21.197 -13.541 35.186 1.00 43.68 ? 457 ASN B CA 1 ATOM 3099 C C . ASN B 2 196 ? -19.800 -13.251 35.736 1.00 45.09 ? 457 ASN B C 1 ATOM 3100 O O . ASN B 2 196 ? -18.916 -14.116 35.688 1.00 40.30 ? 457 ASN B O 1 ATOM 3101 C CB . ASN B 2 196 ? -21.092 -14.562 34.044 1.00 45.85 ? 457 ASN B CB 1 ATOM 3102 C CG . ASN B 2 196 ? -22.448 -14.969 33.512 1.00 47.36 ? 457 ASN B CG 1 ATOM 3103 O OD1 . ASN B 2 196 ? -22.687 -14.988 32.297 1.00 49.55 ? 457 ASN B OD1 1 ATOM 3104 N ND2 . ASN B 2 196 ? -23.349 -15.287 34.425 1.00 42.86 ? 457 ASN B ND2 1 ATOM 3105 N N . HIS B 2 197 ? -19.604 -12.035 36.253 1.00 43.44 ? 458 HIS B N 1 ATOM 3106 C CA . HIS B 2 197 ? -18.353 -11.665 36.922 1.00 41.90 ? 458 HIS B CA 1 ATOM 3107 C C . HIS B 2 197 ? -17.099 -11.937 36.120 1.00 40.31 ? 458 HIS B C 1 ATOM 3108 O O . HIS B 2 197 ? -16.023 -12.124 36.683 1.00 41.17 ? 458 HIS B O 1 ATOM 3109 C CB . HIS B 2 197 ? -18.228 -12.440 38.209 1.00 42.96 ? 458 HIS B CB 1 ATOM 3110 C CG . HIS B 2 197 ? -19.260 -12.094 39.215 1.00 43.15 ? 458 HIS B CG 1 ATOM 3111 N ND1 . HIS B 2 197 ? -19.385 -12.777 40.407 1.00 42.95 ? 458 HIS B ND1 1 ATOM 3112 C CD2 . HIS B 2 197 ? -20.188 -11.114 39.234 1.00 40.69 ? 458 HIS B CD2 1 ATOM 3113 C CE1 . HIS B 2 197 ? -20.355 -12.229 41.114 1.00 42.30 ? 458 HIS B CE1 1 ATOM 3114 N NE2 . HIS B 2 197 ? -20.861 -11.225 40.422 1.00 39.96 ? 458 HIS B NE2 1 ATOM 3115 N N . TYR B 2 198 ? -17.226 -11.965 34.805 1.00 38.34 ? 459 TYR B N 1 ATOM 3116 C CA . TYR B 2 198 ? -16.149 -12.446 33.996 1.00 37.93 ? 459 TYR B CA 1 ATOM 3117 C C . TYR B 2 198 ? -16.323 -11.920 32.632 1.00 36.92 ? 459 TYR B C 1 ATOM 3118 O O . TYR B 2 198 ? -17.406 -11.949 32.112 1.00 36.73 ? 459 TYR B O 1 ATOM 3119 C CB . TYR B 2 198 ? -16.216 -13.956 33.915 1.00 41.76 ? 459 TYR B CB 1 ATOM 3120 C CG . TYR B 2 198 ? -15.178 -14.565 33.013 1.00 42.30 ? 459 TYR B CG 1 ATOM 3121 C CD1 . TYR B 2 198 ? -15.360 -14.606 31.627 1.00 44.40 ? 459 TYR B CD1 1 ATOM 3122 C CD2 . TYR B 2 198 ? -14.009 -15.101 33.549 1.00 42.86 ? 459 TYR B CD2 1 ATOM 3123 C CE1 . TYR B 2 198 ? -14.400 -15.166 30.804 1.00 45.84 ? 459 TYR B CE1 1 ATOM 3124 C CE2 . TYR B 2 198 ? -13.055 -15.665 32.740 1.00 44.70 ? 459 TYR B CE2 1 ATOM 3125 C CZ . TYR B 2 198 ? -13.253 -15.703 31.375 1.00 45.66 ? 459 TYR B CZ 1 ATOM 3126 O OH . TYR B 2 198 ? -12.280 -16.267 30.588 1.00 51.67 ? 459 TYR B OH 1 ATOM 3127 N N . THR B 2 199 ? -15.248 -11.450 32.033 1.00 39.65 ? 460 THR B N 1 ATOM 3128 C CA . THR B 2 199 ? -15.248 -11.204 30.596 1.00 41.25 ? 460 THR B CA 1 ATOM 3129 C C . THR B 2 199 ? -13.875 -11.594 30.089 1.00 40.89 ? 460 THR B C 1 ATOM 3130 O O . THR B 2 199 ? -12.969 -11.906 30.876 1.00 44.25 ? 460 THR B O 1 ATOM 3131 C CB . THR B 2 199 ? -15.515 -9.735 30.263 1.00 41.82 ? 460 THR B CB 1 ATOM 3132 O OG1 . THR B 2 199 ? -15.762 -9.595 28.870 1.00 39.69 ? 460 THR B OG1 1 ATOM 3133 C CG2 . THR B 2 199 ? -14.300 -8.874 30.594 1.00 46.86 ? 460 THR B CG2 1 ATOM 3134 N N . GLN B 2 200 ? -13.703 -11.505 28.785 1.00 41.35 ? 461 GLN B N 1 ATOM 3135 C CA . GLN B 2 200 ? -12.501 -12.016 28.149 1.00 45.30 ? 461 GLN B CA 1 ATOM 3136 C C . GLN B 2 200 ? -12.324 -11.363 26.804 1.00 44.06 ? 461 GLN B C 1 ATOM 3137 O O . GLN B 2 200 ? -13.294 -11.219 26.073 1.00 42.71 ? 461 GLN B O 1 ATOM 3138 C CB . GLN B 2 200 ? -12.678 -13.496 27.998 1.00 50.21 ? 461 GLN B CB 1 ATOM 3139 C CG . GLN B 2 200 ? -11.614 -14.231 27.258 1.00 59.10 ? 461 GLN B CG 1 ATOM 3140 C CD . GLN B 2 200 ? -12.154 -15.589 26.913 1.00 64.29 ? 461 GLN B CD 1 ATOM 3141 O OE1 . GLN B 2 200 ? -13.075 -15.690 26.101 1.00 66.09 ? 461 GLN B OE1 1 ATOM 3142 N NE2 . GLN B 2 200 ? -11.649 -16.633 27.580 1.00 59.35 ? 461 GLN B NE2 1 ATOM 3143 N N . LYS B 2 201 ? -11.106 -10.913 26.510 1.00 43.29 ? 462 LYS B N 1 ATOM 3144 C CA . LYS B 2 201 ? -10.816 -10.237 25.255 1.00 46.61 ? 462 LYS B CA 1 ATOM 3145 C C . LYS B 2 201 ? -9.614 -10.860 24.598 1.00 50.38 ? 462 LYS B C 1 ATOM 3146 O O . LYS B 2 201 ? -8.643 -11.209 25.264 1.00 52.87 ? 462 LYS B O 1 ATOM 3147 C CB . LYS B 2 201 ? -10.539 -8.774 25.489 1.00 47.63 ? 462 LYS B CB 1 ATOM 3148 C CG . LYS B 2 201 ? -11.711 -8.040 26.076 1.00 50.89 ? 462 LYS B CG 1 ATOM 3149 C CD . LYS B 2 201 ? -12.859 -7.962 25.085 1.00 53.08 ? 462 LYS B CD 1 ATOM 3150 C CE . LYS B 2 201 ? -14.035 -7.213 25.678 1.00 53.00 ? 462 LYS B CE 1 ATOM 3151 N NZ . LYS B 2 201 ? -15.113 -7.029 24.665 1.00 57.95 ? 462 LYS B NZ 1 ATOM 3152 N N . SER B 2 202 ? -9.678 -10.996 23.280 1.00 54.02 ? 463 SER B N 1 ATOM 3153 C CA . SER B 2 202 ? -8.639 -11.697 22.569 1.00 54.97 ? 463 SER B CA 1 ATOM 3154 C C . SER B 2 202 ? -7.755 -10.814 21.726 1.00 50.54 ? 463 SER B C 1 ATOM 3155 O O . SER B 2 202 ? -8.128 -9.720 21.322 1.00 49.30 ? 463 SER B O 1 ATOM 3156 C CB . SER B 2 202 ? -9.228 -12.828 21.746 1.00 61.09 ? 463 SER B CB 1 ATOM 3157 O OG . SER B 2 202 ? -9.220 -14.001 22.551 1.00 67.15 ? 463 SER B OG 1 ATOM 3158 N N . LEU B 2 203 ? -6.560 -11.330 21.491 1.00 48.45 ? 464 LEU B N 1 ATOM 3159 C CA . LEU B 2 203 ? -5.513 -10.611 20.802 1.00 54.54 ? 464 LEU B CA 1 ATOM 3160 C C . LEU B 2 203 ? -4.751 -11.625 19.945 1.00 53.27 ? 464 LEU B C 1 ATOM 3161 O O . LEU B 2 203 ? -4.456 -12.730 20.414 1.00 50.70 ? 464 LEU B O 1 ATOM 3162 C CB . LEU B 2 203 ? -4.559 -9.987 21.846 1.00 57.82 ? 464 LEU B CB 1 ATOM 3163 C CG . LEU B 2 203 ? -4.026 -8.557 21.661 1.00 58.17 ? 464 LEU B CG 1 ATOM 3164 C CD1 . LEU B 2 203 ? -2.701 -8.419 22.385 1.00 58.23 ? 464 LEU B CD1 1 ATOM 3165 C CD2 . LEU B 2 203 ? -3.868 -8.145 20.214 1.00 60.12 ? 464 LEU B CD2 1 ATOM 3166 N N . SER B 2 204 ? -4.462 -11.258 18.698 1.00 57.49 ? 465 SER B N 1 ATOM 3167 C CA . SER B 2 204 ? -3.530 -12.017 17.844 1.00 62.71 ? 465 SER B CA 1 ATOM 3168 C C . SER B 2 204 ? -3.113 -11.172 16.636 1.00 61.92 ? 465 SER B C 1 ATOM 3169 O O . SER B 2 204 ? -3.612 -10.057 16.441 1.00 56.27 ? 465 SER B O 1 ATOM 3170 C CB . SER B 2 204 ? -4.128 -13.357 17.393 1.00 62.77 ? 465 SER B CB 1 ATOM 3171 O OG . SER B 2 204 ? -5.343 -13.164 16.699 1.00 66.00 ? 465 SER B OG 1 ATOM 3172 N N . LEU B 2 205 ? -2.183 -11.698 15.848 1.00 67.37 ? 466 LEU B N 1 ATOM 3173 C CA . LEU B 2 205 ? -1.642 -10.956 14.715 1.00 73.00 ? 466 LEU B CA 1 ATOM 3174 C C . LEU B 2 205 ? -2.591 -10.983 13.522 1.00 67.88 ? 466 LEU B C 1 ATOM 3175 O O . LEU B 2 205 ? -3.121 -9.941 13.129 1.00 74.82 ? 466 LEU B O 1 ATOM 3176 C CB . LEU B 2 205 ? -0.278 -11.519 14.317 1.00 79.42 ? 466 LEU B CB 1 ATOM 3177 C CG . LEU B 2 205 ? 0.780 -10.449 14.043 1.00 82.88 ? 466 LEU B CG 1 ATOM 3178 C CD1 . LEU B 2 205 ? 2.100 -11.124 13.698 1.00 84.59 ? 466 LEU B CD1 1 ATOM 3179 C CD2 . LEU B 2 205 ? 0.334 -9.479 12.950 1.00 86.39 ? 466 LEU B CD2 1 HETATM 3180 C C1 . NAG C 3 . ? 0.034 13.740 66.004 1.00 86.29 ? 501 NAG A C1 1 HETATM 3181 C C2 . NAG C 3 . ? 0.224 12.244 65.778 1.00 86.26 ? 501 NAG A C2 1 HETATM 3182 C C3 . NAG C 3 . ? 1.332 11.925 64.788 1.00 83.86 ? 501 NAG A C3 1 HETATM 3183 C C4 . NAG C 3 . ? 1.063 12.646 63.476 1.00 85.01 ? 501 NAG A C4 1 HETATM 3184 C C5 . NAG C 3 . ? 0.771 14.134 63.734 1.00 90.66 ? 501 NAG A C5 1 HETATM 3185 C C6 . NAG C 3 . ? 0.251 14.818 62.468 1.00 93.69 ? 501 NAG A C6 1 HETATM 3186 C C7 . NAG C 3 . ? -0.329 10.770 67.666 1.00 85.03 ? 501 NAG A C7 1 HETATM 3187 C C8 . NAG C 3 . ? -1.656 10.356 67.072 1.00 83.28 ? 501 NAG A C8 1 HETATM 3188 N N2 . NAG C 3 . ? 0.493 11.616 67.048 1.00 83.63 ? 501 NAG A N2 1 HETATM 3189 O O3 . NAG C 3 . ? 1.428 10.526 64.608 1.00 82.70 ? 501 NAG A O3 1 HETATM 3190 O O4 . NAG C 3 . ? 2.195 12.516 62.626 1.00 80.08 ? 501 NAG A O4 1 HETATM 3191 O O5 . NAG C 3 . ? -0.194 14.358 64.754 1.00 88.29 ? 501 NAG A O5 1 HETATM 3192 O O6 . NAG C 3 . ? -1.149 15.000 62.537 1.00 95.12 ? 501 NAG A O6 1 HETATM 3193 O O7 . NAG C 3 . ? 0.014 10.308 68.744 1.00 83.91 ? 501 NAG A O7 1 HETATM 3194 C C1 . NAG D 3 . ? 2.140 11.415 61.689 1.00 77.46 ? 502 NAG A C1 1 HETATM 3195 C C2 . NAG D 3 . ? 2.938 11.770 60.431 1.00 79.76 ? 502 NAG A C2 1 HETATM 3196 C C3 . NAG D 3 . ? 2.939 10.624 59.423 1.00 75.24 ? 502 NAG A C3 1 HETATM 3197 C C4 . NAG D 3 . ? 3.471 9.358 60.075 1.00 74.84 ? 502 NAG A C4 1 HETATM 3198 C C5 . NAG D 3 . ? 2.666 9.127 61.352 1.00 78.45 ? 502 NAG A C5 1 HETATM 3199 C C6 . NAG D 3 . ? 3.120 7.885 62.103 1.00 74.63 ? 502 NAG A C6 1 HETATM 3200 C C7 . NAG D 3 . ? 2.819 14.194 60.270 1.00 88.86 ? 502 NAG A C7 1 HETATM 3201 C C8 . NAG D 3 . ? 2.252 15.403 59.586 1.00 88.64 ? 502 NAG A C8 1 HETATM 3202 N N2 . NAG D 3 . ? 2.444 12.994 59.822 1.00 83.39 ? 502 NAG A N2 1 HETATM 3203 O O3 . NAG D 3 . ? 3.707 10.957 58.293 1.00 70.88 ? 502 NAG A O3 1 HETATM 3204 O O4 . NAG D 3 . ? 3.192 8.256 59.242 1.00 75.22 ? 502 NAG A O4 1 HETATM 3205 O O5 . NAG D 3 . ? 2.693 10.241 62.235 1.00 78.73 ? 502 NAG A O5 1 HETATM 3206 O O6 . NAG D 3 . ? 2.577 8.020 63.391 1.00 75.09 ? 502 NAG A O6 1 HETATM 3207 O O7 . NAG D 3 . ? 3.593 14.341 61.217 1.00 93.64 ? 502 NAG A O7 1 HETATM 3208 C C1 . BMA E 4 . ? 4.194 7.873 58.285 1.00 75.01 ? 503 BMA A C1 1 HETATM 3209 C C2 . BMA E 4 . ? 4.043 6.370 58.095 1.00 74.92 ? 503 BMA A C2 1 HETATM 3210 C C3 . BMA E 4 . ? 5.105 5.832 57.140 1.00 73.25 ? 503 BMA A C3 1 HETATM 3211 C C4 . BMA E 4 . ? 5.177 6.628 55.860 1.00 70.61 ? 503 BMA A C4 1 HETATM 3212 C C5 . BMA E 4 . ? 5.038 8.122 56.046 1.00 73.07 ? 503 BMA A C5 1 HETATM 3213 C C6 . BMA E 4 . ? 4.687 8.653 54.663 1.00 76.42 ? 503 BMA A C6 1 HETATM 3214 O O2 . BMA E 4 . ? 2.717 6.107 57.613 1.00 75.15 ? 503 BMA A O2 1 HETATM 3215 O O3 . BMA E 4 . ? 4.863 4.481 56.737 1.00 77.95 ? 503 BMA A O3 1 HETATM 3216 O O4 . BMA E 4 . ? 6.452 6.382 55.258 1.00 70.89 ? 503 BMA A O4 1 HETATM 3217 O O5 . BMA E 4 . ? 4.041 8.498 57.011 1.00 74.76 ? 503 BMA A O5 1 HETATM 3218 O O6 . BMA E 4 . ? 5.177 9.991 54.517 1.00 81.41 ? 503 BMA A O6 1 HETATM 3219 C C1 . BMA F 4 . ? 4.065 10.870 54.607 1.00 82.93 ? 504 BMA A C1 1 HETATM 3220 C C2 . BMA F 4 . ? 4.483 12.303 54.374 1.00 84.40 ? 504 BMA A C2 1 HETATM 3221 C C3 . BMA F 4 . ? 3.255 13.106 54.785 1.00 89.03 ? 504 BMA A C3 1 HETATM 3222 C C4 . BMA F 4 . ? 2.009 12.658 53.986 1.00 88.28 ? 504 BMA A C4 1 HETATM 3223 C C5 . BMA F 4 . ? 1.851 11.132 53.914 1.00 85.87 ? 504 BMA A C5 1 HETATM 3224 C C6 . BMA F 4 . ? 0.869 10.656 52.842 1.00 84.26 ? 504 BMA A C6 1 HETATM 3225 O O2 . BMA F 4 . ? 4.665 12.444 52.983 1.00 81.64 ? 504 BMA A O2 1 HETATM 3226 O O3 . BMA F 4 . ? 3.512 14.485 54.625 1.00 91.14 ? 504 BMA A O3 1 HETATM 3227 O O4 . BMA F 4 . ? 0.843 13.189 54.571 1.00 89.09 ? 504 BMA A O4 1 HETATM 3228 O O5 . BMA F 4 . ? 3.103 10.554 53.630 1.00 85.90 ? 504 BMA A O5 1 HETATM 3229 O O6 . BMA F 4 . ? 1.489 9.684 52.020 1.00 82.77 ? 504 BMA A O6 1 HETATM 3230 C C1 . NAG G 3 . ? 5.971 12.797 52.490 1.00 85.86 ? 505 NAG A C1 1 HETATM 3231 C C2 . NAG G 3 . ? 5.775 13.309 51.065 1.00 87.96 ? 505 NAG A C2 1 HETATM 3232 C C3 . NAG G 3 . ? 7.117 13.512 50.365 1.00 79.90 ? 505 NAG A C3 1 HETATM 3233 C C4 . NAG G 3 . ? 8.060 14.363 51.211 1.00 79.42 ? 505 NAG A C4 1 HETATM 3234 C C5 . NAG G 3 . ? 8.011 13.940 52.686 1.00 78.89 ? 505 NAG A C5 1 HETATM 3235 C C6 . NAG G 3 . ? 8.854 14.834 53.591 1.00 75.01 ? 505 NAG A C6 1 HETATM 3236 C C7 . NAG G 3 . ? 3.555 12.763 50.147 1.00 102.43 ? 505 NAG A C7 1 HETATM 3237 C C8 . NAG G 3 . ? 2.682 11.811 49.367 1.00 99.73 ? 505 NAG A C8 1 HETATM 3238 N N2 . NAG G 3 . ? 4.854 12.451 50.321 1.00 96.58 ? 505 NAG A N2 1 HETATM 3239 O O3 . NAG G 3 . ? 6.904 14.177 49.147 1.00 82.48 ? 505 NAG A O3 1 HETATM 3240 O O4 . NAG G 3 . ? 9.379 14.193 50.704 1.00 80.06 ? 505 NAG A O4 1 HETATM 3241 O O5 . NAG G 3 . ? 6.675 13.819 53.175 1.00 83.05 ? 505 NAG A O5 1 HETATM 3242 O O6 . NAG G 3 . ? 8.495 16.182 53.430 1.00 71.17 ? 505 NAG A O6 1 HETATM 3243 O O7 . NAG G 3 . ? 3.045 13.791 50.595 1.00 106.64 ? 505 NAG A O7 1 HETATM 3244 C C1 . MAN H 5 . ? 6.067 3.683 56.810 1.00 83.84 ? 506 MAN A C1 1 HETATM 3245 C C2 . MAN H 5 . ? 5.950 2.450 55.924 1.00 89.17 ? 506 MAN A C2 1 HETATM 3246 C C3 . MAN H 5 . ? 4.681 1.714 56.317 1.00 89.60 ? 506 MAN A C3 1 HETATM 3247 C C4 . MAN H 5 . ? 4.784 1.337 57.805 1.00 88.67 ? 506 MAN A C4 1 HETATM 3248 C C5 . MAN H 5 . ? 5.181 2.544 58.676 1.00 85.04 ? 506 MAN A C5 1 HETATM 3249 C C6 . MAN H 5 . ? 5.598 2.099 60.069 1.00 84.85 ? 506 MAN A C6 1 HETATM 3250 O O2 . MAN H 5 . ? 6.975 1.517 56.208 1.00 98.24 ? 506 MAN A O2 1 HETATM 3251 O O3 . MAN H 5 . ? 4.557 0.576 55.496 1.00 91.50 ? 506 MAN A O3 1 HETATM 3252 O O4 . MAN H 5 . ? 3.572 0.770 58.274 1.00 87.26 ? 506 MAN A O4 1 HETATM 3253 O O5 . MAN H 5 . ? 6.275 3.265 58.135 1.00 82.61 ? 506 MAN A O5 1 HETATM 3254 O O6 . MAN H 5 . ? 5.996 3.229 60.810 1.00 88.13 ? 506 MAN A O6 1 HETATM 3255 C C1 . NAG I 3 . ? 8.230 1.715 55.538 1.00 109.06 ? 507 NAG A C1 1 HETATM 3256 C C2 . NAG I 3 . ? 9.302 1.321 56.556 1.00 113.33 ? 507 NAG A C2 1 HETATM 3257 C C3 . NAG I 3 . ? 10.698 1.331 55.946 1.00 117.68 ? 507 NAG A C3 1 HETATM 3258 C C4 . NAG I 3 . ? 10.739 0.594 54.609 1.00 119.76 ? 507 NAG A C4 1 HETATM 3259 C C5 . NAG I 3 . ? 9.579 0.973 53.685 1.00 115.36 ? 507 NAG A C5 1 HETATM 3260 C C6 . NAG I 3 . ? 9.591 0.032 52.473 1.00 113.92 ? 507 NAG A C6 1 HETATM 3261 C C7 . NAG I 3 . ? 9.433 1.797 58.978 1.00 106.57 ? 507 NAG A C7 1 HETATM 3262 C C8 . NAG I 3 . ? 9.392 2.833 60.065 1.00 105.10 ? 507 NAG A C8 1 HETATM 3263 N N2 . NAG I 3 . ? 9.280 2.212 57.713 1.00 114.75 ? 507 NAG A N2 1 HETATM 3264 O O3 . NAG I 3 . ? 11.591 0.727 56.858 1.00 114.83 ? 507 NAG A O3 1 HETATM 3265 O O4 . NAG I 3 . ? 11.960 0.877 53.952 1.00 121.32 ? 507 NAG A O4 1 HETATM 3266 O O5 . NAG I 3 . ? 8.333 0.922 54.368 1.00 112.61 ? 507 NAG A O5 1 HETATM 3267 O O6 . NAG I 3 . ? 8.426 0.146 51.689 1.00 109.15 ? 507 NAG A O6 1 HETATM 3268 O O7 . NAG I 3 . ? 9.601 0.624 59.293 1.00 104.04 ? 507 NAG A O7 1 HETATM 3269 C C1 . GAL J 6 . ? 10.067 15.429 50.389 1.00 80.16 ? 508 GAL A C1 1 HETATM 3270 C C2 . GAL J 6 . ? 11.423 15.109 49.723 1.00 78.57 ? 508 GAL A C2 1 HETATM 3271 C C3 . GAL J 6 . ? 12.127 16.375 49.229 1.00 80.59 ? 508 GAL A C3 1 HETATM 3272 C C4 . GAL J 6 . ? 11.180 17.295 48.455 1.00 82.05 ? 508 GAL A C4 1 HETATM 3273 C C5 . GAL J 6 . ? 9.905 17.525 49.266 1.00 84.84 ? 508 GAL A C5 1 HETATM 3274 C C6 . GAL J 6 . ? 8.942 18.459 48.520 1.00 88.02 ? 508 GAL A C6 1 HETATM 3275 O O2 . GAL J 6 . ? 12.323 14.436 50.585 1.00 70.72 ? 508 GAL A O2 1 HETATM 3276 O O3 . GAL J 6 . ? 13.235 16.020 48.436 1.00 77.91 ? 508 GAL A O3 1 HETATM 3277 O O4 . GAL J 6 . ? 10.859 16.748 47.190 1.00 78.11 ? 508 GAL A O4 1 HETATM 3278 O O5 . GAL J 6 . ? 9.299 16.273 49.541 1.00 78.86 ? 508 GAL A O5 1 HETATM 3279 O O6 . GAL J 6 . ? 7.966 19.005 49.392 1.00 87.96 ? 508 GAL A O6 1 HETATM 3280 C C1 . NAG K 3 . ? 7.706 -9.465 65.543 1.00 129.71 ? 501 NAG B C1 1 HETATM 3281 C C2 . NAG K 3 . ? 7.085 -8.051 65.582 1.00 126.67 ? 501 NAG B C2 1 HETATM 3282 C C3 . NAG K 3 . ? 5.686 -7.985 64.969 1.00 126.68 ? 501 NAG B C3 1 HETATM 3283 C C4 . NAG K 3 . ? 5.702 -8.627 63.589 1.00 124.02 ? 501 NAG B C4 1 HETATM 3284 C C5 . NAG K 3 . ? 6.156 -10.070 63.772 1.00 123.19 ? 501 NAG B C5 1 HETATM 3285 C C6 . NAG K 3 . ? 6.140 -10.868 62.469 1.00 117.19 ? 501 NAG B C6 1 HETATM 3286 C C7 . NAG K 3 . ? 7.821 -6.541 67.362 1.00 115.49 ? 501 NAG B C7 1 HETATM 3287 C C8 . NAG K 3 . ? 7.596 -6.037 68.762 1.00 116.01 ? 501 NAG B C8 1 HETATM 3288 N N2 . NAG K 3 . ? 6.991 -7.481 66.917 1.00 114.42 ? 501 NAG B N2 1 HETATM 3289 O O3 . NAG K 3 . ? 5.251 -6.645 64.894 1.00 125.82 ? 501 NAG B O3 1 HETATM 3290 O O4 . NAG K 3 . ? 4.434 -8.549 62.962 1.00 118.74 ? 501 NAG B O4 1 HETATM 3291 O O5 . NAG K 3 . ? 7.479 -10.051 64.267 1.00 132.01 ? 501 NAG B O5 1 HETATM 3292 O O6 . NAG K 3 . ? 7.102 -10.356 61.574 1.00 109.79 ? 501 NAG B O6 1 HETATM 3293 O O7 . NAG K 3 . ? 8.748 -6.093 66.688 1.00 108.76 ? 501 NAG B O7 1 HETATM 3294 C C1 . NAG L 3 . ? 4.388 -7.599 61.871 1.00 119.59 ? 502 NAG B C1 1 HETATM 3295 C C2 . NAG L 3 . ? 3.703 -8.244 60.652 1.00 118.79 ? 502 NAG B C2 1 HETATM 3296 C C3 . NAG L 3 . ? 2.809 -7.345 59.768 1.00 117.09 ? 502 NAG B C3 1 HETATM 3297 C C4 . NAG L 3 . ? 2.669 -5.876 60.216 1.00 114.31 ? 502 NAG B C4 1 HETATM 3298 C C5 . NAG L 3 . ? 3.718 -5.475 61.248 1.00 111.95 ? 502 NAG B C5 1 HETATM 3299 C C6 . NAG L 3 . ? 3.426 -4.131 61.898 1.00 109.72 ? 502 NAG B C6 1 HETATM 3300 C C7 . NAG L 3 . ? 4.462 -10.061 59.209 1.00 102.41 ? 502 NAG B C7 1 HETATM 3301 C C8 . NAG L 3 . ? 5.580 -10.597 58.356 1.00 97.62 ? 502 NAG B C8 1 HETATM 3302 N N2 . NAG L 3 . ? 4.697 -8.887 59.798 1.00 112.45 ? 502 NAG B N2 1 HETATM 3303 O O3 . NAG L 3 . ? 1.526 -7.943 59.651 1.00 109.78 ? 502 NAG B O3 1 HETATM 3304 O O4 . NAG L 3 . ? 2.743 -4.986 59.110 1.00 108.04 ? 502 NAG B O4 1 HETATM 3305 O O5 . NAG L 3 . ? 3.706 -6.438 62.268 1.00 113.60 ? 502 NAG B O5 1 HETATM 3306 O O6 . NAG L 3 . ? 4.529 -3.767 62.697 1.00 99.86 ? 502 NAG B O6 1 HETATM 3307 O O7 . NAG L 3 . ? 3.402 -10.688 59.345 1.00 89.25 ? 502 NAG B O7 1 HETATM 3308 C C1 . BMA M 4 . ? 1.459 -4.743 58.499 1.00 97.15 ? 503 BMA B C1 1 HETATM 3309 C C2 . BMA M 4 . ? 1.162 -3.260 58.597 1.00 91.97 ? 503 BMA B C2 1 HETATM 3310 C C3 . BMA M 4 . ? -0.135 -2.875 57.877 1.00 93.47 ? 503 BMA B C3 1 HETATM 3311 C C4 . BMA M 4 . ? -0.366 -3.615 56.557 1.00 92.81 ? 503 BMA B C4 1 HETATM 3312 C C5 . BMA M 4 . ? 0.151 -5.059 56.542 1.00 94.24 ? 503 BMA B C5 1 HETATM 3313 C C6 . BMA M 4 . ? 0.240 -5.576 55.109 1.00 94.83 ? 503 BMA B C6 1 HETATM 3314 O O2 . BMA M 4 . ? 2.288 -2.581 58.031 1.00 89.72 ? 503 BMA B O2 1 HETATM 3315 O O3 . BMA M 4 . ? -0.115 -1.482 57.525 1.00 94.04 ? 503 BMA B O3 1 HETATM 3316 O O4 . BMA M 4 . ? -1.776 -3.552 56.275 1.00 81.58 ? 503 BMA B O4 1 HETATM 3317 O O5 . BMA M 4 . ? 1.452 -5.129 57.128 1.00 95.56 ? 503 BMA B O5 1 HETATM 3318 O O6 . BMA M 4 . ? -0.177 -6.952 55.022 1.00 91.30 ? 503 BMA B O6 1 HETATM 3319 C C1 . BMA N 4 . ? 0.972 -7.814 55.054 1.00 94.84 ? 504 BMA B C1 1 HETATM 3320 C C2 . BMA N 4 . ? 0.589 -9.293 55.158 1.00 94.38 ? 504 BMA B C2 1 HETATM 3321 C C3 . BMA N 4 . ? 1.855 -9.897 55.760 1.00 94.39 ? 504 BMA B C3 1 HETATM 3322 C C4 . BMA N 4 . ? 3.064 -9.655 54.843 1.00 90.90 ? 504 BMA B C4 1 HETATM 3323 C C5 . BMA N 4 . ? 3.110 -8.289 54.131 1.00 94.56 ? 504 BMA B C5 1 HETATM 3324 C C6 . BMA N 4 . ? 3.844 -8.392 52.788 1.00 92.09 ? 504 BMA B C6 1 HETATM 3325 O O2 . BMA N 4 . ? 0.295 -9.925 53.905 1.00 89.79 ? 504 BMA B O2 1 HETATM 3326 O O3 . BMA N 4 . ? 1.674 -11.271 56.019 1.00 91.31 ? 504 BMA B O3 1 HETATM 3327 O O4 . BMA N 4 . ? 4.213 -9.701 55.644 1.00 91.46 ? 504 BMA B O4 1 HETATM 3328 O O5 . BMA N 4 . ? 1.840 -7.677 53.946 1.00 97.63 ? 504 BMA B O5 1 HETATM 3329 O O6 . BMA N 4 . ? 3.458 -7.372 51.891 1.00 91.61 ? 504 BMA B O6 1 HETATM 3330 C C1 . NAG O 3 . ? -1.061 -10.432 53.767 1.00 86.14 ? 505 NAG B C1 1 HETATM 3331 C C2 . NAG O 3 . ? -1.344 -10.993 52.362 1.00 85.90 ? 505 NAG B C2 1 HETATM 3332 C C3 . NAG O 3 . ? -2.712 -11.708 52.205 1.00 83.75 ? 505 NAG B C3 1 HETATM 3333 C C4 . NAG O 3 . ? -3.271 -12.391 53.465 1.00 81.92 ? 505 NAG B C4 1 HETATM 3334 C C5 . NAG O 3 . ? -2.743 -11.731 54.762 1.00 80.05 ? 505 NAG B C5 1 HETATM 3335 C C6 . NAG O 3 . ? -2.951 -12.537 56.044 1.00 77.04 ? 505 NAG B C6 1 HETATM 3336 C C7 . NAG O 3 . ? -0.182 -9.589 50.713 1.00 90.95 ? 505 NAG B C7 1 HETATM 3337 C C8 . NAG O 3 . ? -0.306 -8.449 49.737 1.00 91.19 ? 505 NAG B C8 1 HETATM 3338 N N2 . NAG O 3 . ? -1.287 -9.915 51.384 1.00 89.66 ? 505 NAG B N2 1 HETATM 3339 O O3 . NAG O 3 . ? -2.700 -12.651 51.144 1.00 75.89 ? 505 NAG B O3 1 HETATM 3340 O O4 . NAG O 3 . ? -4.706 -12.362 53.386 1.00 79.68 ? 505 NAG B O4 1 HETATM 3341 O O5 . NAG O 3 . ? -1.353 -11.459 54.682 1.00 81.10 ? 505 NAG B O5 1 HETATM 3342 O O6 . NAG O 3 . ? -3.677 -13.729 55.846 1.00 75.96 ? 505 NAG B O6 1 HETATM 3343 O O7 . NAG O 3 . ? 0.896 -10.165 50.867 1.00 83.62 ? 505 NAG B O7 1 HETATM 3344 C C1 . MAN P 5 . ? -1.228 -0.713 58.026 1.00 96.27 ? 506 MAN B C1 1 HETATM 3345 C C2 . MAN P 5 . ? -1.400 0.547 57.172 1.00 98.39 ? 506 MAN B C2 1 HETATM 3346 C C3 . MAN P 5 . ? -0.099 1.345 57.213 1.00 95.18 ? 506 MAN B C3 1 HETATM 3347 C C4 . MAN P 5 . ? 0.259 1.650 58.668 1.00 95.99 ? 506 MAN B C4 1 HETATM 3348 C C5 . MAN P 5 . ? 0.259 0.360 59.504 1.00 99.70 ? 506 MAN B C5 1 HETATM 3349 C C6 . MAN P 5 . ? 0.508 0.617 60.988 1.00 95.59 ? 506 MAN B C6 1 HETATM 3350 O O2 . MAN P 5 . ? -2.386 1.407 57.707 1.00 101.90 ? 506 MAN B O2 1 HETATM 3351 O O3 . MAN P 5 . ? -0.236 2.539 56.486 1.00 90.98 ? 506 MAN B O3 1 HETATM 3352 O O4 . MAN P 5 . ? 1.525 2.257 58.700 1.00 89.11 ? 506 MAN B O4 1 HETATM 3353 O O5 . MAN P 5 . ? -0.982 -0.325 59.358 1.00 101.85 ? 506 MAN B O5 1 HETATM 3354 O O6 . MAN P 5 . ? 0.689 -0.613 61.657 1.00 90.54 ? 506 MAN B O6 1 HETATM 3355 C C1 . NAG Q 3 . ? -3.701 1.255 57.144 1.00 107.57 ? 507 NAG B C1 1 HETATM 3356 C C2 . NAG Q 3 . ? -4.668 1.833 58.177 1.00 109.50 ? 507 NAG B C2 1 HETATM 3357 C C3 . NAG Q 3 . ? -6.010 2.257 57.576 1.00 113.16 ? 507 NAG B C3 1 HETATM 3358 C C4 . NAG Q 3 . ? -6.282 1.639 56.197 1.00 113.39 ? 507 NAG B C4 1 HETATM 3359 C C5 . NAG Q 3 . ? -5.073 1.626 55.238 1.00 107.92 ? 507 NAG B C5 1 HETATM 3360 C C6 . NAG Q 3 . ? -5.298 2.609 54.080 1.00 102.27 ? 507 NAG B C6 1 HETATM 3361 C C7 . NAG Q 3 . ? -4.152 0.823 60.363 1.00 111.05 ? 507 NAG B C7 1 HETATM 3362 C C8 . NAG Q 3 . ? -4.478 -0.248 61.362 1.00 108.55 ? 507 NAG B C8 1 HETATM 3363 N N2 . NAG Q 3 . ? -4.877 0.857 59.240 1.00 114.72 ? 507 NAG B N2 1 HETATM 3364 O O3 . NAG Q 3 . ? -6.082 3.666 57.508 1.00 112.51 ? 507 NAG B O3 1 HETATM 3365 O O4 . NAG Q 3 . ? -6.749 0.319 56.385 1.00 114.68 ? 507 NAG B O4 1 HETATM 3366 O O5 . NAG Q 3 . ? -3.849 1.908 55.902 1.00 107.09 ? 507 NAG B O5 1 HETATM 3367 O O6 . NAG Q 3 . ? -4.262 2.560 53.123 1.00 85.79 ? 507 NAG B O6 1 HETATM 3368 O O7 . NAG Q 3 . ? -3.246 1.616 60.608 1.00 115.25 ? 507 NAG B O7 1 HETATM 3369 C C1 . GAL R 6 . ? -5.348 -13.639 53.108 1.00 79.60 ? 508 GAL B C1 1 HETATM 3370 C C2 . GAL R 6 . ? -6.811 -13.458 52.668 1.00 77.72 ? 508 GAL B C2 1 HETATM 3371 C C3 . GAL R 6 . ? -7.458 -14.815 52.328 1.00 74.13 ? 508 GAL B C3 1 HETATM 3372 C C4 . GAL R 6 . ? -6.555 -15.769 51.541 1.00 75.34 ? 508 GAL B C4 1 HETATM 3373 C C5 . GAL R 6 . ? -5.121 -15.747 52.041 1.00 77.04 ? 508 GAL B C5 1 HETATM 3374 C C6 . GAL R 6 . ? -4.227 -16.542 51.090 1.00 77.54 ? 508 GAL B C6 1 HETATM 3375 O O2 . GAL R 6 . ? -7.579 -12.796 53.667 1.00 70.49 ? 508 GAL B O2 1 HETATM 3376 O O3 . GAL R 6 . ? -8.687 -14.690 51.628 1.00 71.20 ? 508 GAL B O3 1 HETATM 3377 O O4 . GAL R 6 . ? -6.584 -15.474 50.157 1.00 77.96 ? 508 GAL B O4 1 HETATM 3378 O O5 . GAL R 6 . ? -4.682 -14.400 52.115 1.00 85.66 ? 508 GAL B O5 1 HETATM 3379 O O6 . GAL R 6 . ? -3.185 -17.147 51.809 1.00 77.35 ? 508 GAL B O6 1 HETATM 3380 O O . HOH S 7 . ? 22.545 2.601 45.519 1.00 46.60 ? 601 HOH A O 1 HETATM 3381 O O . HOH S 7 . ? -12.111 5.163 27.027 1.00 58.14 ? 602 HOH A O 1 HETATM 3382 O O . HOH S 7 . ? 16.487 -4.042 30.939 1.00 55.65 ? 603 HOH A O 1 HETATM 3383 O O . HOH S 7 . ? 20.792 1.019 41.393 1.00 41.74 ? 604 HOH A O 1 HETATM 3384 O O . HOH S 7 . ? 14.341 16.176 45.824 1.00 42.64 ? 605 HOH A O 1 HETATM 3385 O O . HOH S 7 . ? -2.845 11.555 15.998 1.00 56.78 ? 606 HOH A O 1 HETATM 3386 O O . HOH S 7 . ? 3.663 10.205 35.482 1.00 34.03 ? 607 HOH A O 1 HETATM 3387 O O . HOH S 7 . ? 10.796 11.858 47.829 1.00 52.06 ? 608 HOH A O 1 HETATM 3388 O O . HOH S 7 . ? 15.205 -6.109 41.140 1.00 45.61 ? 609 HOH A O 1 HETATM 3389 O O . HOH S 7 . ? 26.307 7.545 56.028 1.00 44.05 ? 610 HOH A O 1 HETATM 3390 O O . HOH S 7 . ? 29.612 5.649 47.924 1.00 49.56 ? 611 HOH A O 1 HETATM 3391 O O . HOH S 7 . ? 19.926 -4.466 37.667 1.00 44.32 ? 612 HOH A O 1 HETATM 3392 O O . HOH S 7 . ? 25.912 16.214 61.282 1.00 49.79 ? 613 HOH A O 1 HETATM 3393 O O . HOH S 7 . ? 8.782 24.783 61.152 1.00 56.51 ? 614 HOH A O 1 HETATM 3394 O O . HOH S 7 . ? -3.864 2.863 24.234 1.00 53.99 ? 615 HOH A O 1 HETATM 3395 O O . HOH S 7 . ? 19.243 6.659 26.164 1.00 47.97 ? 616 HOH A O 1 HETATM 3396 O O . HOH S 7 . ? 24.290 18.913 58.629 1.00 57.03 ? 617 HOH A O 1 HETATM 3397 O O . HOH S 7 . ? 22.550 6.988 46.742 1.00 36.19 ? 618 HOH A O 1 HETATM 3398 O O . HOH S 7 . ? 16.651 20.346 66.229 1.00 50.39 ? 619 HOH A O 1 HETATM 3399 O O . HOH S 7 . ? 23.702 9.019 34.883 1.00 53.32 ? 620 HOH A O 1 HETATM 3400 O O . HOH S 7 . ? 4.366 13.664 36.082 1.00 60.81 ? 621 HOH A O 1 HETATM 3401 O O . HOH S 7 . ? 21.754 5.401 68.435 1.00 62.70 ? 622 HOH A O 1 HETATM 3402 O O . HOH S 7 . ? 24.711 14.141 38.037 1.00 46.27 ? 623 HOH A O 1 HETATM 3403 O O . HOH S 7 . ? 29.621 19.122 55.964 1.00 55.13 ? 624 HOH A O 1 HETATM 3404 O O . HOH S 7 . ? 10.568 -4.988 32.688 1.00 44.56 ? 625 HOH A O 1 HETATM 3405 O O . HOH S 7 . ? 6.455 -4.922 41.996 1.00 45.23 ? 626 HOH A O 1 HETATM 3406 O O . HOH S 7 . ? 11.004 21.534 62.232 1.00 65.27 ? 627 HOH A O 1 HETATM 3407 O O . HOH S 7 . ? 25.529 14.463 48.679 1.00 41.59 ? 628 HOH A O 1 HETATM 3408 O O . HOH S 7 . ? 12.834 -0.810 52.027 1.00 63.87 ? 629 HOH A O 1 HETATM 3409 O O . HOH S 7 . ? 19.854 19.311 65.478 1.00 69.33 ? 630 HOH A O 1 HETATM 3410 O O . HOH S 7 . ? -0.115 5.862 40.464 1.00 38.58 ? 631 HOH A O 1 HETATM 3411 O O . HOH S 7 . ? 19.222 21.735 53.031 1.00 60.66 ? 632 HOH A O 1 HETATM 3412 O O . HOH S 7 . ? 9.692 5.983 40.622 1.00 40.89 ? 633 HOH A O 1 HETATM 3413 O O . HOH S 7 . ? 21.967 14.472 37.336 1.00 52.95 ? 634 HOH A O 1 HETATM 3414 O O . HOH S 7 . ? 24.364 2.228 47.256 1.00 49.94 ? 635 HOH A O 1 HETATM 3415 O O . HOH S 7 . ? 31.201 10.867 52.293 1.00 53.20 ? 636 HOH A O 1 HETATM 3416 O O . HOH S 7 . ? -7.072 1.603 24.094 1.00 44.78 ? 637 HOH A O 1 HETATM 3417 O O . HOH S 7 . ? 26.655 16.238 41.658 1.00 41.39 ? 638 HOH A O 1 HETATM 3418 O O . HOH S 7 . ? 25.055 16.047 50.854 1.00 44.78 ? 639 HOH A O 1 HETATM 3419 O O . HOH S 7 . ? 5.116 16.006 77.828 1.00 69.27 ? 640 HOH A O 1 HETATM 3420 O O . HOH S 7 . ? 6.380 -10.888 33.120 1.00 50.22 ? 641 HOH A O 1 HETATM 3421 O O . HOH S 7 . ? 22.894 19.777 45.046 1.00 54.79 ? 642 HOH A O 1 HETATM 3422 O O . HOH S 7 . ? 30.131 14.422 49.340 1.00 55.38 ? 643 HOH A O 1 HETATM 3423 O O . HOH S 7 . ? 16.552 7.238 37.725 1.00 37.56 ? 644 HOH A O 1 HETATM 3424 O O . HOH S 7 . ? 3.414 -1.513 41.983 1.00 37.95 ? 645 HOH A O 1 HETATM 3425 O O . HOH S 7 . ? 21.194 17.519 34.214 1.00 57.57 ? 646 HOH A O 1 HETATM 3426 O O . HOH S 7 . ? 24.644 -0.099 34.360 1.00 49.82 ? 647 HOH A O 1 HETATM 3427 O O . HOH S 7 . ? -0.313 9.384 38.086 1.00 33.85 ? 648 HOH A O 1 HETATM 3428 O O . HOH S 7 . ? 17.744 -5.906 37.089 1.00 57.65 ? 649 HOH A O 1 HETATM 3429 O O . HOH S 7 . ? 5.335 16.905 21.374 1.00 55.19 ? 650 HOH A O 1 HETATM 3430 O O . HOH S 7 . ? 1.074 21.280 76.238 1.00 60.82 ? 651 HOH A O 1 HETATM 3431 O O . HOH S 7 . ? 14.968 -2.530 43.800 1.00 49.11 ? 652 HOH A O 1 HETATM 3432 O O . HOH S 7 . ? 10.734 10.217 45.635 1.00 54.04 ? 653 HOH A O 1 HETATM 3433 O O . HOH S 7 . ? 12.991 2.478 23.577 1.00 59.87 ? 654 HOH A O 1 HETATM 3434 O O . HOH S 7 . ? 7.630 -0.088 43.004 1.00 52.36 ? 655 HOH A O 1 HETATM 3435 O O . HOH S 7 . ? 26.993 7.134 63.245 1.00 73.40 ? 656 HOH A O 1 HETATM 3436 O O . HOH S 7 . ? 12.311 18.886 51.768 1.00 47.07 ? 657 HOH A O 1 HETATM 3437 O O . HOH S 7 . ? 27.927 5.468 38.707 1.00 50.23 ? 658 HOH A O 1 HETATM 3438 O O . HOH S 7 . ? -5.738 9.108 32.371 1.00 47.56 ? 659 HOH A O 1 HETATM 3439 O O . HOH S 7 . ? 17.060 2.706 58.178 1.00 58.84 ? 660 HOH A O 1 HETATM 3440 O O . HOH S 7 . ? -1.121 15.868 35.988 1.00 59.02 ? 661 HOH A O 1 HETATM 3441 O O . HOH S 7 . ? 26.851 18.378 50.317 1.00 59.48 ? 662 HOH A O 1 HETATM 3442 O O . HOH S 7 . ? 31.786 14.734 46.524 1.00 62.24 ? 663 HOH A O 1 HETATM 3443 O O . HOH S 7 . ? -1.644 8.293 39.964 1.00 46.35 ? 664 HOH A O 1 HETATM 3444 O O . HOH S 7 . ? 31.189 5.473 43.579 1.00 54.89 ? 665 HOH A O 1 HETATM 3445 O O . HOH S 7 . ? 7.117 6.488 40.144 1.00 48.05 ? 666 HOH A O 1 HETATM 3446 O O . HOH S 7 . ? 3.098 -0.076 44.030 1.00 44.28 ? 667 HOH A O 1 HETATM 3447 O O . HOH S 7 . ? 13.886 -5.066 43.128 1.00 46.93 ? 668 HOH A O 1 HETATM 3448 O O . HOH T 7 . ? 4.955 -3.312 23.092 1.00 40.53 ? 601 HOH B O 1 HETATM 3449 O O . HOH T 7 . ? -6.849 -9.713 42.294 1.00 51.85 ? 602 HOH B O 1 HETATM 3450 O O . HOH T 7 . ? -22.854 -16.377 36.581 1.00 51.06 ? 603 HOH B O 1 HETATM 3451 O O . HOH T 7 . ? -16.221 -5.937 44.271 1.00 39.79 ? 604 HOH B O 1 HETATM 3452 O O . HOH T 7 . ? -18.888 -0.922 46.099 1.00 45.26 ? 605 HOH B O 1 HETATM 3453 O O . HOH T 7 . ? -6.524 -10.322 50.931 1.00 60.82 ? 606 HOH B O 1 HETATM 3454 O O . HOH T 7 . ? -10.649 4.668 34.719 1.00 36.66 ? 607 HOH B O 1 HETATM 3455 O O . HOH T 7 . ? -0.617 -13.865 17.170 1.00 54.02 ? 608 HOH B O 1 HETATM 3456 O O . HOH T 7 . ? -12.232 0.101 45.549 1.00 40.93 ? 609 HOH B O 1 HETATM 3457 O O . HOH T 7 . ? -15.066 -6.900 41.932 1.00 43.18 ? 610 HOH B O 1 HETATM 3458 O O . HOH T 7 . ? 1.562 -5.623 40.766 1.00 36.62 ? 611 HOH B O 1 HETATM 3459 O O . HOH T 7 . ? -13.262 6.478 43.848 1.00 38.70 ? 612 HOH B O 1 HETATM 3460 O O . HOH T 7 . ? -19.802 -14.174 43.567 1.00 43.97 ? 613 HOH B O 1 HETATM 3461 O O . HOH T 7 . ? -18.853 4.470 41.601 1.00 35.93 ? 614 HOH B O 1 HETATM 3462 O O . HOH T 7 . ? -1.708 2.029 42.365 1.00 37.95 ? 615 HOH B O 1 HETATM 3463 O O . HOH T 7 . ? 1.793 -12.306 37.800 1.00 56.79 ? 616 HOH B O 1 HETATM 3464 O O . HOH T 7 . ? 1.585 -15.841 36.643 1.00 53.22 ? 617 HOH B O 1 HETATM 3465 O O . HOH T 7 . ? -4.097 8.376 40.890 1.00 46.78 ? 618 HOH B O 1 HETATM 3466 O O . HOH T 7 . ? 5.050 -9.158 31.626 1.00 45.60 ? 619 HOH B O 1 HETATM 3467 O O . HOH T 7 . ? 1.154 -9.317 38.615 1.00 38.59 ? 620 HOH B O 1 HETATM 3468 O O . HOH T 7 . ? -7.470 0.518 45.891 1.00 61.45 ? 621 HOH B O 1 HETATM 3469 O O . HOH T 7 . ? -14.890 -7.290 46.413 1.00 52.16 ? 622 HOH B O 1 HETATM 3470 O O . HOH T 7 . ? -16.223 -18.842 65.652 1.00 62.94 ? 623 HOH B O 1 HETATM 3471 O O . HOH T 7 . ? -12.204 -10.243 21.942 1.00 58.33 ? 624 HOH B O 1 HETATM 3472 O O . HOH T 7 . ? 14.754 -13.965 62.856 1.00 63.08 ? 625 HOH B O 1 HETATM 3473 O O . HOH T 7 . ? -4.786 0.640 44.557 1.00 46.53 ? 626 HOH B O 1 HETATM 3474 O O . HOH T 7 . ? -15.370 2.767 51.003 1.00 56.26 ? 627 HOH B O 1 HETATM 3475 O O . HOH T 7 . ? -9.627 -20.458 49.808 1.00 66.63 ? 628 HOH B O 1 HETATM 3476 O O . HOH T 7 . ? 17.113 -9.474 17.004 1.00 69.21 ? 629 HOH B O 1 HETATM 3477 O O . HOH T 7 . ? -16.608 5.362 40.945 1.00 59.61 ? 630 HOH B O 1 HETATM 3478 O O . HOH T 7 . ? -10.663 8.916 32.878 1.00 64.05 ? 631 HOH B O 1 HETATM 3479 O O . HOH T 7 . ? -18.491 -17.544 68.715 1.00 63.61 ? 632 HOH B O 1 HETATM 3480 O O . HOH T 7 . ? -24.969 -4.867 54.670 1.00 66.18 ? 633 HOH B O 1 HETATM 3481 O O . HOH T 7 . ? -11.731 -1.782 47.542 1.00 56.94 ? 634 HOH B O 1 HETATM 3482 O O . HOH T 7 . ? -16.009 7.017 44.496 1.00 55.11 ? 635 HOH B O 1 HETATM 3483 O O . HOH T 7 . ? -1.459 4.604 42.281 1.00 44.83 ? 636 HOH B O 1 HETATM 3484 O O . HOH T 7 . ? -11.669 5.259 45.823 1.00 44.92 ? 637 HOH B O 1 HETATM 3485 O O . HOH T 7 . ? -0.843 1.076 44.683 1.00 47.15 ? 638 HOH B O 1 HETATM 3486 O O . HOH T 7 . ? -11.989 9.233 44.399 1.00 51.57 ? 639 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 259 259 GLY GLY A . n A 1 2 GLY 2 260 260 GLY GLY A . n A 1 3 PRO 3 261 261 PRO PRO A . n A 1 4 SER 4 262 262 SER SER A . n A 1 5 VAL 5 263 263 VAL VAL A . n A 1 6 PHE 6 264 264 PHE PHE A . n A 1 7 LEU 7 265 265 LEU LEU A . n A 1 8 PHE 8 266 266 PHE PHE A . n A 1 9 PRO 9 267 267 PRO PRO A . n A 1 10 PRO 10 268 268 PRO PRO A . n A 1 11 LYS 11 269 269 LYS LYS A . n A 1 12 PRO 12 270 270 PRO PRO A . n A 1 13 LYS 13 271 271 LYS LYS A . n A 1 14 ASP 14 272 272 ASP ASP A . n A 1 15 THR 15 273 273 THR THR A . n A 1 16 LEU 16 274 274 LEU LEU A . n A 1 17 MET 17 275 275 MET MET A . n A 1 18 ILE 18 276 276 ILE ILE A . n A 1 19 SER 19 277 277 SER SER A . n A 1 20 ARG 20 278 278 ARG ARG A . n A 1 21 THR 21 279 279 THR THR A . n A 1 22 PRO 22 280 280 PRO PRO A . n A 1 23 GLU 23 281 281 GLU GLU A . n A 1 24 VAL 24 282 282 VAL VAL A . n A 1 25 THR 25 283 283 THR THR A . n A 1 26 CYS 26 284 284 CYS CYS A . n A 1 27 VAL 27 285 285 VAL VAL A . n A 1 28 VAL 28 286 286 VAL VAL A . n A 1 29 VAL 29 287 287 VAL VAL A . n A 1 30 ASP 30 288 288 ASP ASP A . n A 1 31 VAL 31 289 289 VAL VAL A . n A 1 32 SER 32 290 290 SER SER A . n A 1 33 HIS 33 291 291 HIS HIS A . n A 1 34 GLU 34 292 292 GLU GLU A . n A 1 35 ASP 35 293 293 ASP ASP A . n A 1 36 PRO 36 294 294 PRO PRO A . n A 1 37 GLU 37 295 295 GLU GLU A . n A 1 38 VAL 38 296 296 VAL VAL A . n A 1 39 LYS 39 297 297 LYS LYS A . n A 1 40 PHE 40 298 298 PHE PHE A . n A 1 41 ASN 41 299 299 ASN ASN A . n A 1 42 TRP 42 300 300 TRP TRP A . n A 1 43 TYR 43 301 301 TYR TYR A . n A 1 44 VAL 44 302 302 VAL VAL A . n A 1 45 ASP 45 303 303 ASP ASP A . n A 1 46 GLY 46 304 304 GLY GLY A . n A 1 47 VAL 47 305 305 VAL VAL A . n A 1 48 GLU 48 306 306 GLU GLU A . n A 1 49 VAL 49 307 307 VAL VAL A . n A 1 50 HIS 50 308 308 HIS HIS A . n A 1 51 ASN 51 309 309 ASN ASN A . n A 1 52 ALA 52 310 310 ALA ALA A . n A 1 53 LYS 53 311 311 LYS LYS A . n A 1 54 THR 54 312 312 THR THR A . n A 1 55 LYS 55 313 313 LYS LYS A . n A 1 56 PRO 56 314 314 PRO PRO A . n A 1 57 ARG 57 315 315 ARG ARG A . n A 1 58 GLU 58 316 316 GLU GLU A . n A 1 59 GLU 59 317 317 GLU GLU A . n A 1 60 GLN 60 318 318 GLN GLN A . n A 1 61 TYR 61 319 319 TYR TYR A . n A 1 62 ASN 62 320 320 ASN ASN A . n A 1 63 SER 63 321 321 SER SER A . n A 1 64 THR 64 322 322 THR THR A . n A 1 65 TYR 65 323 323 TYR TYR A . n A 1 66 ARG 66 324 324 ARG ARG A . n A 1 67 VAL 67 325 325 VAL VAL A . n A 1 68 VAL 68 326 326 VAL VAL A . n A 1 69 SER 69 327 327 SER SER A . n A 1 70 VAL 70 328 328 VAL VAL A . n A 1 71 LEU 71 329 329 LEU LEU A . n A 1 72 THR 72 330 330 THR THR A . n A 1 73 VAL 73 331 331 VAL VAL A . n A 1 74 LEU 74 332 332 LEU LEU A . n A 1 75 HIS 75 333 333 HIS HIS A . n A 1 76 GLN 76 334 334 GLN GLN A . n A 1 77 ASP 77 335 335 ASP ASP A . n A 1 78 TRP 78 336 336 TRP TRP A . n A 1 79 LEU 79 337 337 LEU LEU A . n A 1 80 ASN 80 338 338 ASN ASN A . n A 1 81 GLY 81 339 339 GLY GLY A . n A 1 82 LYS 82 340 340 LYS LYS A . n A 1 83 GLU 83 341 341 GLU GLU A . n A 1 84 TYR 84 342 342 TYR TYR A . n A 1 85 LYS 85 343 343 LYS LYS A . n A 1 86 CYS 86 344 344 CYS CYS A . n A 1 87 LYS 87 345 345 LYS LYS A . n A 1 88 VAL 88 346 346 VAL VAL A . n A 1 89 SER 89 347 347 SER SER A . n A 1 90 ASN 90 348 348 ASN ASN A . n A 1 91 LYS 91 349 349 LYS LYS A . n A 1 92 ALA 92 350 350 ALA ALA A . n A 1 93 LEU 93 351 351 LEU LEU A . n A 1 94 PRO 94 352 352 PRO PRO A . n A 1 95 ALA 95 353 353 ALA ALA A . n A 1 96 PRO 96 354 354 PRO PRO A . n A 1 97 ILE 97 355 355 ILE ILE A . n A 1 98 GLU 98 356 356 GLU GLU A . n A 1 99 LYS 99 357 357 LYS LYS A . n A 1 100 THR 100 358 358 THR THR A . n A 1 101 ILE 101 359 359 ILE ILE A . n A 1 102 SER 102 360 360 SER SER A . n A 1 103 LYS 103 361 361 LYS LYS A . n A 1 104 ALA 104 362 362 ALA ALA A . n A 1 105 LYS 105 363 363 LYS LYS A . n A 1 106 GLY 106 364 364 GLY GLY A . n A 1 107 GLN 107 365 365 GLN GLN A . n A 1 108 PRO 108 366 366 PRO PRO A . n A 1 109 ARG 109 367 367 ARG ARG A . n A 1 110 GLU 110 368 368 GLU GLU A . n A 1 111 PRO 111 369 369 PRO PRO A . n A 1 112 GLN 112 370 370 GLN GLN A . n A 1 113 VAL 113 371 371 VAL VAL A . n A 1 114 TYR 114 372 372 TYR TYR A . n A 1 115 THR 115 373 373 THR THR A . n A 1 116 LEU 116 374 374 LEU LEU A . n A 1 117 PRO 117 375 375 PRO PRO A . n A 1 118 PRO 118 376 376 PRO PRO A . n A 1 119 SER 119 377 377 SER SER A . n A 1 120 ARG 120 378 378 ARG ARG A . n A 1 121 GLU 121 379 379 GLU GLU A . n A 1 122 GLU 122 380 380 GLU GLU A . n A 1 123 MET 123 381 381 MET MET A . n A 1 124 THR 124 382 382 THR THR A . n A 1 125 LYS 125 383 383 LYS LYS A . n A 1 126 ASN 126 384 384 ASN ASN A . n A 1 127 GLN 127 385 385 GLN GLN A . n A 1 128 VAL 128 386 386 VAL VAL A . n A 1 129 SER 129 387 387 SER SER A . n A 1 130 LEU 130 388 388 LEU LEU A . n A 1 131 THR 131 389 389 THR THR A . n A 1 132 CYS 132 390 390 CYS CYS A . n A 1 133 LEU 133 391 391 LEU LEU A . n A 1 134 VAL 134 392 392 VAL VAL A . n A 1 135 LYS 135 393 393 LYS LYS A . n A 1 136 GLY 136 394 394 GLY GLY A . n A 1 137 PHE 137 395 395 PHE PHE A . n A 1 138 TYR 138 396 396 TYR TYR A . n A 1 139 PRO 139 397 397 PRO PRO A . n A 1 140 SER 140 398 398 SER SER A . n A 1 141 ASP 141 399 399 ASP ASP A . n A 1 142 ILE 142 400 400 ILE ILE A . n A 1 143 ALA 143 401 401 ALA ALA A . n A 1 144 VAL 144 402 402 VAL VAL A . n A 1 145 GLU 145 403 403 GLU GLU A . n A 1 146 TRP 146 404 404 TRP TRP A . n A 1 147 GLU 147 405 405 GLU GLU A . n A 1 148 SER 148 406 406 SER SER A . n A 1 149 ASN 149 407 407 ASN ASN A . n A 1 150 GLY 150 408 408 GLY GLY A . n A 1 151 GLN 151 409 409 GLN GLN A . n A 1 152 PRO 152 410 410 PRO PRO A . n A 1 153 GLU 153 411 411 GLU GLU A . n A 1 154 ASN 154 412 412 ASN ASN A . n A 1 155 ASN 155 413 413 ASN ASN A . n A 1 156 TYR 156 414 414 TYR TYR A . n A 1 157 LYS 157 415 415 LYS LYS A . n A 1 158 THR 158 416 416 THR THR A . n A 1 159 THR 159 417 417 THR THR A . n A 1 160 PRO 160 418 418 PRO PRO A . n A 1 161 PRO 161 419 419 PRO PRO A . n A 1 162 VAL 162 420 420 VAL VAL A . n A 1 163 LEU 163 421 421 LEU LEU A . n A 1 164 ASP 164 422 422 ASP ASP A . n A 1 165 SER 165 423 423 SER SER A . n A 1 166 ASP 166 424 424 ASP ASP A . n A 1 167 GLY 167 425 425 GLY GLY A . n A 1 168 SER 168 426 426 SER SER A . n A 1 169 PHE 169 427 427 PHE PHE A . n A 1 170 PHE 170 428 428 PHE PHE A . n A 1 171 LEU 171 429 429 LEU LEU A . n A 1 172 TYR 172 430 430 TYR TYR A . n A 1 173 SER 173 431 431 SER SER A . n A 1 174 LYS 174 432 432 LYS LYS A . n A 1 175 LEU 175 433 433 LEU LEU A . n A 1 176 THR 176 434 434 THR THR A . n A 1 177 VAL 177 435 435 VAL VAL A . n A 1 178 ASP 178 436 436 ASP ASP A . n A 1 179 LYS 179 437 437 LYS LYS A . n A 1 180 SER 180 438 438 SER SER A . n A 1 181 ARG 181 439 439 ARG ARG A . n A 1 182 TRP 182 440 440 TRP TRP A . n A 1 183 GLN 183 441 441 GLN GLN A . n A 1 184 GLN 184 442 442 GLN GLN A . n A 1 185 GLY 185 443 443 GLY GLY A . n A 1 186 ASN 186 444 444 ASN ASN A . n A 1 187 VAL 187 445 445 VAL VAL A . n A 1 188 PHE 188 446 446 PHE PHE A . n A 1 189 SER 189 447 447 SER SER A . n A 1 190 CYS 190 448 448 CYS CYS A . n A 1 191 SER 191 449 449 SER SER A . n A 1 192 VAL 192 450 450 VAL VAL A . n A 1 193 MET 193 451 451 MET MET A . n A 1 194 HIS 194 452 452 HIS HIS A . n A 1 195 GLU 195 453 453 GLU GLU A . n A 1 196 ALA 196 454 454 ALA ALA A . n A 1 197 LEU 197 455 455 LEU LEU A . n A 1 198 HIS 198 456 456 HIS HIS A . n A 1 199 ASN 199 457 457 ASN ASN A . n A 1 200 HIS 200 458 458 HIS HIS A . n A 1 201 TYR 201 459 459 TYR TYR A . n A 1 202 THR 202 460 460 THR THR A . n A 1 203 GLN 203 461 461 GLN GLN A . n A 1 204 LYS 204 462 462 LYS LYS A . n A 1 205 SER 205 463 463 SER SER A . n A 1 206 LEU 206 464 464 LEU LEU A . n A 1 207 SER 207 465 465 SER SER A . n A 1 208 LEU 208 466 466 LEU LEU A . n A 1 209 SER 209 467 467 SER SER A . n B 2 1 SER 1 262 262 SER SER B . n B 2 2 VAL 2 263 263 VAL VAL B . n B 2 3 PHE 3 264 264 PHE PHE B . n B 2 4 LEU 4 265 265 LEU LEU B . n B 2 5 PHE 5 266 266 PHE PHE B . n B 2 6 PRO 6 267 267 PRO PRO B . n B 2 7 PRO 7 268 268 PRO PRO B . n B 2 8 LYS 8 269 269 LYS LYS B . n B 2 9 PRO 9 270 270 PRO PRO B . n B 2 10 LYS 10 271 271 LYS LYS B . n B 2 11 ASP 11 272 272 ASP ASP B . n B 2 12 THR 12 273 273 THR THR B . n B 2 13 LEU 13 274 274 LEU LEU B . n B 2 14 MET 14 275 275 MET MET B . n B 2 15 ILE 15 276 276 ILE ILE B . n B 2 16 SER 16 277 277 SER SER B . n B 2 17 ARG 17 278 278 ARG ARG B . n B 2 18 THR 18 279 279 THR THR B . n B 2 19 PRO 19 280 280 PRO PRO B . n B 2 20 GLU 20 281 281 GLU GLU B . n B 2 21 VAL 21 282 282 VAL VAL B . n B 2 22 THR 22 283 283 THR THR B . n B 2 23 CYS 23 284 284 CYS CYS B . n B 2 24 VAL 24 285 285 VAL VAL B . n B 2 25 VAL 25 286 286 VAL VAL B . n B 2 26 VAL 26 287 287 VAL VAL B . n B 2 27 ASP 27 288 288 ASP ASP B . n B 2 28 VAL 28 289 ? ? ? B . n B 2 29 SER 29 290 ? ? ? B . n B 2 30 HIS 30 291 ? ? ? B . n B 2 31 GLU 31 292 ? ? ? B . n B 2 32 ASP 32 293 293 ASP ASP B . n B 2 33 PRO 33 294 294 PRO PRO B . n B 2 34 GLU 34 295 295 GLU GLU B . n B 2 35 VAL 35 296 296 VAL VAL B . n B 2 36 LYS 36 297 297 LYS LYS B . n B 2 37 PHE 37 298 298 PHE PHE B . n B 2 38 ASN 38 299 299 ASN ASN B . n B 2 39 TRP 39 300 300 TRP TRP B . n B 2 40 TYR 40 301 301 TYR TYR B . n B 2 41 VAL 41 302 302 VAL VAL B . n B 2 42 ASP 42 303 303 ASP ASP B . n B 2 43 GLY 43 304 304 GLY GLY B . n B 2 44 VAL 44 305 305 VAL VAL B . n B 2 45 GLU 45 306 306 GLU GLU B . n B 2 46 VAL 46 307 307 VAL VAL B . n B 2 47 HIS 47 308 308 HIS HIS B . n B 2 48 ASN 48 309 309 ASN ASN B . n B 2 49 ALA 49 310 310 ALA ALA B . n B 2 50 LYS 50 311 311 LYS LYS B . n B 2 51 THR 51 312 312 THR THR B . n B 2 52 LYS 52 313 313 LYS LYS B . n B 2 53 PRO 53 314 314 PRO PRO B . n B 2 54 ARG 54 315 315 ARG ARG B . n B 2 55 GLU 55 316 316 GLU GLU B . n B 2 56 GLU 56 317 317 GLU GLU B . n B 2 57 GLN 57 318 318 GLN GLN B . n B 2 58 TYR 58 319 319 TYR TYR B . n B 2 59 ASN 59 320 320 ASN ASN B . n B 2 60 SER 60 321 321 SER SER B . n B 2 61 THR 61 322 ? ? ? B . n B 2 62 TYR 62 323 ? ? ? B . n B 2 63 ARG 63 324 324 ARG ARG B . n B 2 64 VAL 64 325 325 VAL VAL B . n B 2 65 VAL 65 326 326 VAL VAL B . n B 2 66 SER 66 327 327 SER SER B . n B 2 67 VAL 67 328 328 VAL VAL B . n B 2 68 LEU 68 329 329 LEU LEU B . n B 2 69 THR 69 330 330 THR THR B . n B 2 70 VAL 70 331 331 VAL VAL B . n B 2 71 LEU 71 332 332 LEU LEU B . n B 2 72 HIS 72 333 333 HIS HIS B . n B 2 73 GLN 73 334 334 GLN GLN B . n B 2 74 ASP 74 335 335 ASP ASP B . n B 2 75 TRP 75 336 336 TRP TRP B . n B 2 76 LEU 76 337 337 LEU LEU B . n B 2 77 ASN 77 338 338 ASN ASN B . n B 2 78 GLY 78 339 339 GLY GLY B . n B 2 79 LYS 79 340 340 LYS LYS B . n B 2 80 GLU 80 341 341 GLU GLU B . n B 2 81 TYR 81 342 342 TYR TYR B . n B 2 82 LYS 82 343 343 LYS LYS B . n B 2 83 CYS 83 344 344 CYS CYS B . n B 2 84 LYS 84 345 345 LYS LYS B . n B 2 85 VAL 85 346 346 VAL VAL B . n B 2 86 SER 86 347 347 SER SER B . n B 2 87 ASN 87 348 348 ASN ASN B . n B 2 88 LYS 88 349 349 LYS LYS B . n B 2 89 ALA 89 350 350 ALA ALA B . n B 2 90 LEU 90 351 351 LEU LEU B . n B 2 91 PRO 91 352 352 PRO PRO B . n B 2 92 ALA 92 353 353 ALA ALA B . n B 2 93 PRO 93 354 354 PRO PRO B . n B 2 94 ILE 94 355 355 ILE ILE B . n B 2 95 GLU 95 356 356 GLU GLU B . n B 2 96 LYS 96 357 357 LYS LYS B . n B 2 97 THR 97 358 358 THR THR B . n B 2 98 ILE 98 359 359 ILE ILE B . n B 2 99 SER 99 360 360 SER SER B . n B 2 100 LYS 100 361 361 LYS LYS B . n B 2 101 ALA 101 362 362 ALA ALA B . n B 2 102 LYS 102 363 363 LYS LYS B . n B 2 103 GLY 103 364 364 GLY GLY B . n B 2 104 GLN 104 365 365 GLN GLN B . n B 2 105 PRO 105 366 366 PRO PRO B . n B 2 106 ARG 106 367 367 ARG ARG B . n B 2 107 GLU 107 368 368 GLU GLU B . n B 2 108 PRO 108 369 369 PRO PRO B . n B 2 109 GLN 109 370 370 GLN GLN B . n B 2 110 VAL 110 371 371 VAL VAL B . n B 2 111 TYR 111 372 372 TYR TYR B . n B 2 112 THR 112 373 373 THR THR B . n B 2 113 LEU 113 374 374 LEU LEU B . n B 2 114 PRO 114 375 375 PRO PRO B . n B 2 115 PRO 115 376 376 PRO PRO B . n B 2 116 SER 116 377 377 SER SER B . n B 2 117 ARG 117 378 378 ARG ARG B . n B 2 118 GLU 118 379 379 GLU GLU B . n B 2 119 GLU 119 380 380 GLU GLU B . n B 2 120 MET 120 381 381 MET MET B . n B 2 121 THR 121 382 382 THR THR B . n B 2 122 LYS 122 383 383 LYS LYS B . n B 2 123 ASN 123 384 384 ASN ASN B . n B 2 124 GLN 124 385 385 GLN GLN B . n B 2 125 VAL 125 386 386 VAL VAL B . n B 2 126 SER 126 387 387 SER SER B . n B 2 127 LEU 127 388 388 LEU LEU B . n B 2 128 THR 128 389 389 THR THR B . n B 2 129 CYS 129 390 390 CYS CYS B . n B 2 130 LEU 130 391 391 LEU LEU B . n B 2 131 VAL 131 392 392 VAL VAL B . n B 2 132 LYS 132 393 393 LYS LYS B . n B 2 133 GLY 133 394 394 GLY GLY B . n B 2 134 PHE 134 395 395 PHE PHE B . n B 2 135 TYR 135 396 396 TYR TYR B . n B 2 136 PRO 136 397 397 PRO PRO B . n B 2 137 SER 137 398 398 SER SER B . n B 2 138 ASP 138 399 399 ASP ASP B . n B 2 139 ILE 139 400 400 ILE ILE B . n B 2 140 ALA 140 401 401 ALA ALA B . n B 2 141 VAL 141 402 402 VAL VAL B . n B 2 142 GLU 142 403 403 GLU GLU B . n B 2 143 TRP 143 404 404 TRP TRP B . n B 2 144 GLU 144 405 405 GLU GLU B . n B 2 145 SER 145 406 406 SER SER B . n B 2 146 ASN 146 407 407 ASN ASN B . n B 2 147 GLY 147 408 408 GLY GLY B . n B 2 148 GLN 148 409 409 GLN GLN B . n B 2 149 PRO 149 410 410 PRO PRO B . n B 2 150 GLU 150 411 411 GLU GLU B . n B 2 151 ASN 151 412 412 ASN ASN B . n B 2 152 ASN 152 413 413 ASN ASN B . n B 2 153 TYR 153 414 414 TYR TYR B . n B 2 154 LYS 154 415 415 LYS LYS B . n B 2 155 THR 155 416 416 THR THR B . n B 2 156 THR 156 417 417 THR THR B . n B 2 157 PRO 157 418 418 PRO PRO B . n B 2 158 PRO 158 419 419 PRO PRO B . n B 2 159 VAL 159 420 420 VAL VAL B . n B 2 160 LEU 160 421 421 LEU LEU B . n B 2 161 ASP 161 422 422 ASP ASP B . n B 2 162 SER 162 423 423 SER SER B . n B 2 163 ASP 163 424 424 ASP ASP B . n B 2 164 GLY 164 425 425 GLY GLY B . n B 2 165 SER 165 426 426 SER SER B . n B 2 166 PHE 166 427 427 PHE PHE B . n B 2 167 PHE 167 428 428 PHE PHE B . n B 2 168 LEU 168 429 429 LEU LEU B . n B 2 169 TYR 169 430 430 TYR TYR B . n B 2 170 SER 170 431 431 SER SER B . n B 2 171 LYS 171 432 432 LYS LYS B . n B 2 172 LEU 172 433 433 LEU LEU B . n B 2 173 THR 173 434 434 THR THR B . n B 2 174 VAL 174 435 435 VAL VAL B . n B 2 175 ASP 175 436 436 ASP ASP B . n B 2 176 LYS 176 437 437 LYS LYS B . n B 2 177 SER 177 438 438 SER SER B . n B 2 178 ARG 178 439 439 ARG ARG B . n B 2 179 TRP 179 440 440 TRP TRP B . n B 2 180 GLN 180 441 441 GLN GLN B . n B 2 181 GLN 181 442 442 GLN GLN B . n B 2 182 GLY 182 443 443 GLY GLY B . n B 2 183 ASN 183 444 444 ASN ASN B . n B 2 184 VAL 184 445 445 VAL VAL B . n B 2 185 PHE 185 446 446 PHE PHE B . n B 2 186 SER 186 447 447 SER SER B . n B 2 187 CYS 187 448 448 CYS CYS B . n B 2 188 SER 188 449 449 SER SER B . n B 2 189 VAL 189 450 450 VAL VAL B . n B 2 190 MET 190 451 451 MET MET B . n B 2 191 HIS 191 452 452 HIS HIS B . n B 2 192 GLU 192 453 453 GLU GLU B . n B 2 193 ALA 193 454 454 ALA ALA B . n B 2 194 LEU 194 455 455 LEU LEU B . n B 2 195 HIS 195 456 456 HIS HIS B . n B 2 196 ASN 196 457 457 ASN ASN B . n B 2 197 HIS 197 458 458 HIS HIS B . n B 2 198 TYR 198 459 459 TYR TYR B . n B 2 199 THR 199 460 460 THR THR B . n B 2 200 GLN 200 461 461 GLN GLN B . n B 2 201 LYS 201 462 462 LYS LYS B . n B 2 202 SER 202 463 463 SER SER B . n B 2 203 LEU 203 464 464 LEU LEU B . n B 2 204 SER 204 465 465 SER SER B . n B 2 205 LEU 205 466 466 LEU LEU B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 NAG 1 501 1445 NAG NAG A . D 3 NAG 2 502 1447 NAG NAG A . E 4 BMA 3 503 1448 BMA BMA A . F 4 BMA 4 504 1449 BMA MAN A . G 3 NAG 5 505 1450 NAG NAG A . H 5 MAN 6 506 1451 MAN MAN A . I 3 NAG 7 507 1452 NAG NAG A . J 6 GAL 8 508 1453 GAL GAL A . K 3 NAG 1 501 1444 NAG NAG B . L 3 NAG 2 502 1446 NAG NAG B . M 4 BMA 3 503 1447 BMA BMA B . N 4 BMA 4 504 1448 BMA MAN B . O 3 NAG 5 505 1449 NAG NAG B . P 5 MAN 6 506 1450 MAN MAN B . Q 3 NAG 7 507 1451 NAG NAG B . R 6 GAL 8 508 1452 GAL GAL B . S 7 HOH 1 601 158 HOH HOH A . S 7 HOH 2 602 62 HOH HOH A . S 7 HOH 3 603 92 HOH HOH A . S 7 HOH 4 604 13 HOH HOH A . S 7 HOH 5 605 16 HOH HOH A . S 7 HOH 6 606 65 HOH HOH A . S 7 HOH 7 607 12 HOH HOH A . S 7 HOH 8 608 57 HOH HOH A . S 7 HOH 9 609 21 HOH HOH A . S 7 HOH 10 610 33 HOH HOH A . S 7 HOH 11 611 128 HOH HOH A . S 7 HOH 12 612 47 HOH HOH A . S 7 HOH 13 613 28 HOH HOH A . S 7 HOH 14 614 164 HOH HOH A . S 7 HOH 15 615 39 HOH HOH A . S 7 HOH 16 616 82 HOH HOH A . S 7 HOH 17 617 113 HOH HOH A . S 7 HOH 18 618 23 HOH HOH A . S 7 HOH 19 619 146 HOH HOH A . S 7 HOH 20 620 222 HOH HOH A . S 7 HOH 21 621 248 HOH HOH A . S 7 HOH 22 622 119 HOH HOH A . S 7 HOH 23 623 252 HOH HOH A . S 7 HOH 24 624 75 HOH HOH A . S 7 HOH 25 625 29 HOH HOH A . S 7 HOH 26 626 250 HOH HOH A . S 7 HOH 27 627 108 HOH HOH A . S 7 HOH 28 628 5 HOH HOH A . S 7 HOH 29 629 253 HOH HOH A . S 7 HOH 30 630 41 HOH HOH A . S 7 HOH 31 631 43 HOH HOH A . S 7 HOH 32 632 173 HOH HOH A . S 7 HOH 33 633 6 HOH HOH A . S 7 HOH 34 634 15 HOH HOH A . S 7 HOH 35 635 86 HOH HOH A . S 7 HOH 36 636 118 HOH HOH A . S 7 HOH 37 637 67 HOH HOH A . S 7 HOH 38 638 18 HOH HOH A . S 7 HOH 39 639 38 HOH HOH A . S 7 HOH 40 640 251 HOH HOH A . S 7 HOH 41 641 243 HOH HOH A . S 7 HOH 42 642 242 HOH HOH A . S 7 HOH 43 643 101 HOH HOH A . S 7 HOH 44 644 14 HOH HOH A . S 7 HOH 45 645 237 HOH HOH A . S 7 HOH 46 646 55 HOH HOH A . S 7 HOH 47 647 44 HOH HOH A . S 7 HOH 48 648 36 HOH HOH A . S 7 HOH 49 649 53 HOH HOH A . S 7 HOH 50 650 208 HOH HOH A . S 7 HOH 51 651 76 HOH HOH A . S 7 HOH 52 652 81 HOH HOH A . S 7 HOH 53 653 169 HOH HOH A . S 7 HOH 54 654 188 HOH HOH A . S 7 HOH 55 655 247 HOH HOH A . S 7 HOH 56 656 195 HOH HOH A . S 7 HOH 57 657 48 HOH HOH A . S 7 HOH 58 658 186 HOH HOH A . S 7 HOH 59 659 20 HOH HOH A . S 7 HOH 60 660 254 HOH HOH A . S 7 HOH 61 661 207 HOH HOH A . S 7 HOH 62 662 91 HOH HOH A . S 7 HOH 63 663 160 HOH HOH A . S 7 HOH 64 664 109 HOH HOH A . S 7 HOH 65 665 196 HOH HOH A . S 7 HOH 66 666 97 HOH HOH A . S 7 HOH 67 667 221 HOH HOH A . S 7 HOH 68 668 102 HOH HOH A . T 7 HOH 1 601 24 HOH HOH B . T 7 HOH 2 602 68 HOH HOH B . T 7 HOH 3 603 94 HOH HOH B . T 7 HOH 4 604 19 HOH HOH B . T 7 HOH 5 605 51 HOH HOH B . T 7 HOH 6 606 199 HOH HOH B . T 7 HOH 7 607 2 HOH HOH B . T 7 HOH 8 608 80 HOH HOH B . T 7 HOH 9 609 72 HOH HOH B . T 7 HOH 10 610 26 HOH HOH B . T 7 HOH 11 611 213 HOH HOH B . T 7 HOH 12 612 25 HOH HOH B . T 7 HOH 13 613 9 HOH HOH B . T 7 HOH 14 614 1 HOH HOH B . T 7 HOH 15 615 11 HOH HOH B . T 7 HOH 16 616 246 HOH HOH B . T 7 HOH 17 617 189 HOH HOH B . T 7 HOH 18 618 179 HOH HOH B . T 7 HOH 19 619 187 HOH HOH B . T 7 HOH 20 620 8 HOH HOH B . T 7 HOH 21 621 209 HOH HOH B . T 7 HOH 22 622 206 HOH HOH B . T 7 HOH 23 623 249 HOH HOH B . T 7 HOH 24 624 229 HOH HOH B . T 7 HOH 25 625 244 HOH HOH B . T 7 HOH 26 626 52 HOH HOH B . T 7 HOH 27 627 120 HOH HOH B . T 7 HOH 28 628 219 HOH HOH B . T 7 HOH 29 629 245 HOH HOH B . T 7 HOH 30 630 138 HOH HOH B . T 7 HOH 31 631 198 HOH HOH B . T 7 HOH 32 632 223 HOH HOH B . T 7 HOH 33 633 174 HOH HOH B . T 7 HOH 34 634 107 HOH HOH B . T 7 HOH 35 635 88 HOH HOH B . T 7 HOH 36 636 59 HOH HOH B . T 7 HOH 37 637 49 HOH HOH B . T 7 HOH 38 638 233 HOH HOH B . T 7 HOH 39 639 46 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T # 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)' 7090 ? 1 MORE 44 ? 1 'SSA (A^2)' 21310 ? # _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 2017-03-29 2 'Structure model' 1 1 2017-09-27 # _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 'Data collection' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 2 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category diffrn_detector # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 2 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_diffrn_detector.detector' # 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 ? ? ? 5.8.0049 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 350 ? ? -94.35 49.58 2 1 GLN A 442 ? ? -66.74 6.56 3 1 VAL B 305 ? ? -33.95 123.18 4 1 PRO B 314 ? ? -37.65 135.53 5 1 ARG B 315 ? ? -42.82 76.75 6 1 TYR B 319 ? ? -91.35 -63.24 7 1 ASN B 320 ? ? 80.54 -151.36 8 1 PRO B 397 ? ? -67.73 -179.65 9 1 ASN B 407 ? ? 39.46 52.51 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 271 ? CE ? A LYS 13 CE 2 1 Y 1 A LYS 271 ? NZ ? A LYS 13 NZ 3 1 Y 1 A GLU 292 ? CG ? A GLU 34 CG 4 1 Y 1 A GLU 292 ? CD ? A GLU 34 CD 5 1 Y 1 A GLU 292 ? OE1 ? A GLU 34 OE1 6 1 Y 1 A GLU 292 ? OE2 ? A GLU 34 OE2 7 1 Y 1 A GLU 295 ? CG ? A GLU 37 CG 8 1 Y 1 A GLU 295 ? CD ? A GLU 37 CD 9 1 Y 1 A GLU 295 ? OE1 ? A GLU 37 OE1 10 1 Y 1 A GLU 295 ? OE2 ? A GLU 37 OE2 11 1 Y 1 A LYS 349 ? CG ? A LYS 91 CG 12 1 Y 1 A LYS 349 ? CD ? A LYS 91 CD 13 1 Y 1 A LYS 349 ? CE ? A LYS 91 CE 14 1 Y 1 A LYS 349 ? NZ ? A LYS 91 NZ 15 1 Y 1 B ASP 288 ? CG ? B ASP 27 CG 16 1 Y 1 B ASP 288 ? OD1 ? B ASP 27 OD1 17 1 Y 1 B ASP 288 ? OD2 ? B ASP 27 OD2 18 1 Y 1 B LYS 311 ? CG ? B LYS 50 CG 19 1 Y 1 B LYS 311 ? CD ? B LYS 50 CD 20 1 Y 1 B LYS 311 ? CE ? B LYS 50 CE 21 1 Y 1 B LYS 311 ? NZ ? B LYS 50 NZ 22 1 Y 1 B LYS 313 ? CG ? B LYS 52 CG 23 1 Y 1 B LYS 313 ? CD ? B LYS 52 CD 24 1 Y 1 B LYS 313 ? CE ? B LYS 52 CE 25 1 Y 1 B LYS 313 ? NZ ? B LYS 52 NZ 26 1 Y 1 B ARG 315 ? CG ? B ARG 54 CG 27 1 Y 1 B ARG 315 ? CD ? B ARG 54 CD 28 1 Y 1 B ARG 315 ? NE ? B ARG 54 NE 29 1 Y 1 B ARG 315 ? CZ ? B ARG 54 CZ 30 1 Y 1 B ARG 315 ? NH1 ? B ARG 54 NH1 31 1 Y 1 B ARG 315 ? NH2 ? B ARG 54 NH2 32 1 Y 1 B GLU 316 ? CG ? B GLU 55 CG 33 1 Y 1 B GLU 316 ? CD ? B GLU 55 CD 34 1 Y 1 B GLU 316 ? OE1 ? B GLU 55 OE1 35 1 Y 1 B GLU 316 ? OE2 ? B GLU 55 OE2 36 1 Y 1 B GLU 317 ? CG ? B GLU 56 CG 37 1 Y 1 B GLU 317 ? CD ? B GLU 56 CD 38 1 Y 1 B GLU 317 ? OE1 ? B GLU 56 OE1 39 1 Y 1 B GLU 317 ? OE2 ? B GLU 56 OE2 40 1 Y 1 B TYR 319 ? CG ? B TYR 58 CG 41 1 Y 1 B TYR 319 ? CD1 ? B TYR 58 CD1 42 1 Y 1 B TYR 319 ? CD2 ? B TYR 58 CD2 43 1 Y 1 B TYR 319 ? CE1 ? B TYR 58 CE1 44 1 Y 1 B TYR 319 ? CE2 ? B TYR 58 CE2 45 1 Y 1 B TYR 319 ? CZ ? B TYR 58 CZ 46 1 Y 1 B TYR 319 ? OH ? B TYR 58 OH 47 1 Y 1 B SER 321 ? CA ? B SER 60 CA 48 1 Y 1 B SER 321 ? C ? B SER 60 C 49 1 Y 1 B SER 321 ? O ? B SER 60 O 50 1 Y 1 B SER 321 ? CB ? B SER 60 CB 51 1 Y 1 B SER 321 ? OG ? B SER 60 OG 52 1 Y 1 B ARG 324 ? CG ? B ARG 63 CG 53 1 Y 1 B ARG 324 ? CD ? B ARG 63 CD 54 1 Y 1 B ARG 324 ? NE ? B ARG 63 NE 55 1 Y 1 B ARG 324 ? CZ ? B ARG 63 CZ 56 1 Y 1 B ARG 324 ? NH1 ? B ARG 63 NH1 57 1 Y 1 B ARG 324 ? NH2 ? B ARG 63 NH2 58 1 Y 1 B VAL 325 ? CG1 ? B VAL 64 CG1 59 1 Y 1 B VAL 325 ? CG2 ? B VAL 64 CG2 60 1 Y 1 B GLU 341 ? CD ? B GLU 80 CD 61 1 Y 1 B GLU 341 ? OE1 ? B GLU 80 OE1 62 1 Y 1 B GLU 341 ? OE2 ? B GLU 80 OE2 63 1 Y 1 B LYS 343 ? CG ? B LYS 82 CG 64 1 Y 1 B LYS 343 ? CD ? B LYS 82 CD 65 1 Y 1 B LYS 343 ? CE ? B LYS 82 CE 66 1 Y 1 B LYS 343 ? NZ ? B LYS 82 NZ 67 1 Y 1 B LYS 345 ? CG ? B LYS 84 CG 68 1 Y 1 B LYS 345 ? CD ? B LYS 84 CD 69 1 Y 1 B LYS 345 ? CE ? B LYS 84 CE 70 1 Y 1 B LYS 345 ? NZ ? B LYS 84 NZ 71 1 Y 1 B LYS 349 ? CG ? B LYS 88 CG 72 1 Y 1 B LYS 349 ? CD ? B LYS 88 CD 73 1 Y 1 B LYS 349 ? CE ? B LYS 88 CE 74 1 Y 1 B LYS 349 ? NZ ? B LYS 88 NZ 75 1 Y 1 B LYS 363 ? CD ? B LYS 102 CD 76 1 Y 1 B LYS 363 ? CE ? B LYS 102 CE 77 1 Y 1 B LYS 363 ? NZ ? B LYS 102 NZ 78 1 Y 1 B ARG 367 ? NE ? B ARG 106 NE 79 1 Y 1 B ARG 367 ? CZ ? B ARG 106 CZ 80 1 Y 1 B ARG 367 ? NH1 ? B ARG 106 NH1 81 1 Y 1 B ARG 367 ? NH2 ? B ARG 106 NH2 82 1 Y 1 B ARG 378 ? CD ? B ARG 117 CD 83 1 Y 1 B ARG 378 ? NE ? B ARG 117 NE 84 1 Y 1 B ARG 378 ? CZ ? B ARG 117 CZ 85 1 Y 1 B ARG 378 ? NH1 ? B ARG 117 NH1 86 1 Y 1 B ARG 378 ? NH2 ? B ARG 117 NH2 87 1 Y 1 B LYS 383 ? CD ? B LYS 122 CD 88 1 Y 1 B LYS 383 ? CE ? B LYS 122 CE 89 1 Y 1 B LYS 383 ? NZ ? B LYS 122 NZ 90 1 Y 1 B GLN 442 ? CG ? B GLN 181 CG 91 1 Y 1 B GLN 442 ? CD ? B GLN 181 CD 92 1 Y 1 B GLN 442 ? OE1 ? B GLN 181 OE1 93 1 Y 1 B GLN 442 ? NE2 ? B GLN 181 NE2 # 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 VAL 289 ? B VAL 28 2 1 Y 1 B SER 290 ? B SER 29 3 1 Y 1 B HIS 291 ? B HIS 30 4 1 Y 1 B GLU 292 ? B GLU 31 5 1 Y 1 B THR 322 ? B THR 61 6 1 Y 1 B TYR 323 ? B TYR 62 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 BETA-D-GALACTOSE GAL 7 water HOH #