data_4MDJ # _entry.id 4MDJ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4MDJ RCSB RCSB081774 WWPDB D_1000081774 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4MCY . unspecified PDB 4MCZ . unspecified PDB 4MD0 . unspecified PDB 4MD4 . unspecified PDB 4MD5 . unspecified PDB 4MDI . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4MDJ _pdbx_database_status.recvd_initial_deposition_date 2013-08-22 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _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 'Scally, S.W.' 1 'Rossjohn, J.' 2 # _citation.id primary _citation.title 'A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.' _citation.journal_abbrev J.Exp.Med. _citation.journal_volume 210 _citation.page_first 2569 _citation.page_last 2582 _citation.year 2013 _citation.journal_id_ASTM JEMEAV _citation.country US _citation.journal_id_ISSN 0022-1007 _citation.journal_id_CSD 0774 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 24190431 _citation.pdbx_database_id_DOI 10.1084/jem.20131241 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Scally, S.W.' 1 primary 'Petersen, J.' 2 primary 'Law, S.C.' 3 primary 'Dudek, N.L.' 4 primary 'Nel, H.J.' 5 primary 'Loh, K.L.' 6 primary 'Wijeyewickrema, L.C.' 7 primary 'Eckle, S.B.' 8 primary 'van Heemst, J.' 9 primary 'Pike, R.N.' 10 primary 'McCluskey, J.' 11 primary 'Toes, R.E.' 12 primary 'La Gruta, N.L.' 13 primary 'Purcell, A.W.' 14 primary 'Reid, H.H.' 15 primary 'Thomas, R.' 16 primary 'Rossjohn, J.' 17 # _cell.entry_id 4MDJ _cell.length_a 66.442 _cell.length_b 182.445 _cell.length_c 77.808 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4MDJ _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'HLA class II histocompatibility antigen, DR alpha chain' 21919.594 1 ? ? 'Extracellular Domain, UNP residues 26-206' ? 2 polymer man 'HLA class II histocompatibility antigen, DRB1-4 beta chain' 23253.588 1 ? ? 'Extracellular Domain, UNP residues 30-219' ? 3 polymer syn Vimentin 1386.625 1 ? ? 'Residues 66-78' ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 6 water nat water 18.015 535 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'MHC class II antigen DRA' 2 'MHC class II antigen DRB1*4, DR-4, DR4' # 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 ;IKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYT PITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDV YDCRVEHWGLDEPLLKHWEFDTSGDDDDK ; ;IKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYT PITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDV YDCRVEHWGLDEPLLKHWEFDTSGDDDDK ; A ? 2 'polypeptide(L)' no no ;GSGDTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAVTELGRPDAEYWNSQKDILEDERAAVDTY CRHNYGVVESFTVQRRVYPEVTVYPAKTQPLQHHNLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTL VMLETVPRSGEVYTCQVEHPSLTSPLTVEWRATGGDDDDK ; ;GSGDTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAVTELGRPDAEYWNSQKDILEDERAAVDTY CRHNYGVVESFTVQRRVYPEVTVYPAKTQPLQHHNLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTL VMLETVPRSGEVYTCQVEHPSLTSPLTVEWRATGGDDDDK ; B ? 3 'polypeptide(L)' no no SAVRLRSSVPGVR SAVRLRSSVPGVR C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 LYS n 1 3 GLU n 1 4 GLU n 1 5 HIS n 1 6 VAL n 1 7 ILE n 1 8 ILE n 1 9 GLN n 1 10 ALA n 1 11 GLU n 1 12 PHE n 1 13 TYR n 1 14 LEU n 1 15 ASN n 1 16 PRO n 1 17 ASP n 1 18 GLN n 1 19 SER n 1 20 GLY n 1 21 GLU n 1 22 PHE n 1 23 MET n 1 24 PHE n 1 25 ASP n 1 26 PHE n 1 27 ASP n 1 28 GLY n 1 29 ASP n 1 30 GLU n 1 31 ILE n 1 32 PHE n 1 33 HIS n 1 34 VAL n 1 35 ASP n 1 36 MET n 1 37 ALA n 1 38 LYS n 1 39 LYS n 1 40 GLU n 1 41 THR n 1 42 VAL n 1 43 TRP n 1 44 ARG n 1 45 LEU n 1 46 GLU n 1 47 GLU n 1 48 PHE n 1 49 GLY n 1 50 ARG n 1 51 PHE n 1 52 ALA n 1 53 SER n 1 54 PHE n 1 55 GLU n 1 56 ALA n 1 57 GLN n 1 58 GLY n 1 59 ALA n 1 60 LEU n 1 61 ALA n 1 62 ASN n 1 63 ILE n 1 64 ALA n 1 65 VAL n 1 66 ASP n 1 67 LYS n 1 68 ALA n 1 69 ASN n 1 70 LEU n 1 71 GLU n 1 72 ILE n 1 73 MET n 1 74 THR n 1 75 LYS n 1 76 ARG n 1 77 SER n 1 78 ASN n 1 79 TYR n 1 80 THR n 1 81 PRO n 1 82 ILE n 1 83 THR n 1 84 ASN n 1 85 VAL n 1 86 PRO n 1 87 PRO n 1 88 GLU n 1 89 VAL n 1 90 THR n 1 91 VAL n 1 92 LEU n 1 93 THR n 1 94 ASN n 1 95 SER n 1 96 PRO n 1 97 VAL n 1 98 GLU n 1 99 LEU n 1 100 ARG n 1 101 GLU n 1 102 PRO n 1 103 ASN n 1 104 VAL n 1 105 LEU n 1 106 ILE n 1 107 CYS n 1 108 PHE n 1 109 ILE n 1 110 ASP n 1 111 LYS n 1 112 PHE n 1 113 THR n 1 114 PRO n 1 115 PRO n 1 116 VAL n 1 117 VAL n 1 118 ASN n 1 119 VAL n 1 120 THR n 1 121 TRP n 1 122 LEU n 1 123 ARG n 1 124 ASN n 1 125 GLY n 1 126 LYS n 1 127 PRO n 1 128 VAL n 1 129 THR n 1 130 THR n 1 131 GLY n 1 132 VAL n 1 133 SER n 1 134 GLU n 1 135 THR n 1 136 VAL n 1 137 PHE n 1 138 LEU n 1 139 PRO n 1 140 ARG n 1 141 GLU n 1 142 ASP n 1 143 HIS n 1 144 LEU n 1 145 PHE n 1 146 ARG n 1 147 LYS n 1 148 PHE n 1 149 HIS n 1 150 TYR n 1 151 LEU n 1 152 PRO n 1 153 PHE n 1 154 LEU n 1 155 PRO n 1 156 SER n 1 157 THR n 1 158 GLU n 1 159 ASP n 1 160 VAL n 1 161 TYR n 1 162 ASP n 1 163 CYS n 1 164 ARG n 1 165 VAL n 1 166 GLU n 1 167 HIS n 1 168 TRP n 1 169 GLY n 1 170 LEU n 1 171 ASP n 1 172 GLU n 1 173 PRO n 1 174 LEU n 1 175 LEU n 1 176 LYS n 1 177 HIS n 1 178 TRP n 1 179 GLU n 1 180 PHE n 1 181 ASP n 1 182 THR n 1 183 SER n 1 184 GLY n 1 185 ASP n 1 186 ASP n 1 187 ASP n 1 188 ASP n 1 189 LYS n 2 1 GLY n 2 2 SER n 2 3 GLY n 2 4 ASP n 2 5 THR n 2 6 ARG n 2 7 PRO n 2 8 ARG n 2 9 PHE n 2 10 LEU n 2 11 GLU n 2 12 GLN n 2 13 VAL n 2 14 LYS n 2 15 HIS n 2 16 GLU n 2 17 CYS n 2 18 HIS n 2 19 PHE n 2 20 PHE n 2 21 ASN n 2 22 GLY n 2 23 THR n 2 24 GLU n 2 25 ARG n 2 26 VAL n 2 27 ARG n 2 28 PHE n 2 29 LEU n 2 30 ASP n 2 31 ARG n 2 32 TYR n 2 33 PHE n 2 34 TYR n 2 35 HIS n 2 36 GLN n 2 37 GLU n 2 38 GLU n 2 39 TYR n 2 40 VAL n 2 41 ARG n 2 42 PHE n 2 43 ASP n 2 44 SER n 2 45 ASP n 2 46 VAL n 2 47 GLY n 2 48 GLU n 2 49 TYR n 2 50 ARG n 2 51 ALA n 2 52 VAL n 2 53 THR n 2 54 GLU n 2 55 LEU n 2 56 GLY n 2 57 ARG n 2 58 PRO n 2 59 ASP n 2 60 ALA n 2 61 GLU n 2 62 TYR n 2 63 TRP n 2 64 ASN n 2 65 SER n 2 66 GLN n 2 67 LYS n 2 68 ASP n 2 69 ILE n 2 70 LEU n 2 71 GLU n 2 72 ASP n 2 73 GLU n 2 74 ARG n 2 75 ALA n 2 76 ALA n 2 77 VAL n 2 78 ASP n 2 79 THR n 2 80 TYR n 2 81 CYS n 2 82 ARG n 2 83 HIS n 2 84 ASN n 2 85 TYR n 2 86 GLY n 2 87 VAL n 2 88 VAL n 2 89 GLU n 2 90 SER n 2 91 PHE n 2 92 THR n 2 93 VAL n 2 94 GLN n 2 95 ARG n 2 96 ARG n 2 97 VAL n 2 98 TYR n 2 99 PRO n 2 100 GLU n 2 101 VAL n 2 102 THR n 2 103 VAL n 2 104 TYR n 2 105 PRO n 2 106 ALA n 2 107 LYS n 2 108 THR n 2 109 GLN n 2 110 PRO n 2 111 LEU n 2 112 GLN n 2 113 HIS n 2 114 HIS n 2 115 ASN n 2 116 LEU n 2 117 LEU n 2 118 VAL n 2 119 CYS n 2 120 SER n 2 121 VAL n 2 122 ASN n 2 123 GLY n 2 124 PHE n 2 125 TYR n 2 126 PRO n 2 127 GLY n 2 128 SER n 2 129 ILE n 2 130 GLU n 2 131 VAL n 2 132 ARG n 2 133 TRP n 2 134 PHE n 2 135 ARG n 2 136 ASN n 2 137 GLY n 2 138 GLN n 2 139 GLU n 2 140 GLU n 2 141 LYS n 2 142 THR n 2 143 GLY n 2 144 VAL n 2 145 VAL n 2 146 SER n 2 147 THR n 2 148 GLY n 2 149 LEU n 2 150 ILE n 2 151 GLN n 2 152 ASN n 2 153 GLY n 2 154 ASP n 2 155 TRP n 2 156 THR n 2 157 PHE n 2 158 GLN n 2 159 THR n 2 160 LEU n 2 161 VAL n 2 162 MET n 2 163 LEU n 2 164 GLU n 2 165 THR n 2 166 VAL n 2 167 PRO n 2 168 ARG n 2 169 SER n 2 170 GLY n 2 171 GLU n 2 172 VAL n 2 173 TYR n 2 174 THR n 2 175 CYS n 2 176 GLN n 2 177 VAL n 2 178 GLU n 2 179 HIS n 2 180 PRO n 2 181 SER n 2 182 LEU n 2 183 THR n 2 184 SER n 2 185 PRO n 2 186 LEU n 2 187 THR n 2 188 VAL n 2 189 GLU n 2 190 TRP n 2 191 ARG n 2 192 ALA n 2 193 THR n 2 194 GLY n 2 195 GLY n 2 196 ASP n 2 197 ASP n 2 198 ASP n 2 199 ASP n 2 200 LYS n 3 1 SER n 3 2 ALA n 3 3 VAL n 3 4 ARG n 3 5 LEU n 3 6 ARG n 3 7 SER n 3 8 SER n 3 9 VAL n 3 10 PRO n 3 11 GLY n 3 12 VAL n 3 13 ARG 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 ? ? ? human ? 'HLA-DRA, HLA-DRA1' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? human ? HLA-DRB1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific 'Homo sapiens' _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id 9606 _pdbx_entity_src_syn.details 'This sequence is from human vimentin' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP DRA_HUMAN P01903 1 ;IKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYT PITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDV YDCRVEHWGLDEPLLKHWEFD ; 26 ? 2 UNP 2B14_HUMAN P13760 2 ;GDTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQKRAAVDTYCR HNYGVGESFTVQRRVYPEVTVYPAKTQPLQHHNLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVM LETVPRSGEVYTCQVEHPSLTSPLTVEWRA ; 30 ? 3 UNP VIME_HUMAN P08670 3 SAVRLRSSVPGVR 66 ? # 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 4MDJ A 1 ? 181 ? P01903 26 ? 206 ? 1 181 2 2 4MDJ B 3 ? 192 ? P13760 30 ? 219 ? 1 190 3 3 4MDJ C 1 ? 13 ? P08670 66 ? 78 ? 1 13 # 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 4MDJ THR A 182 ? UNP P01903 ? ? 'EXPRESSION TAG' 182 1 1 4MDJ SER A 183 ? UNP P01903 ? ? 'EXPRESSION TAG' 183 2 1 4MDJ GLY A 184 ? UNP P01903 ? ? 'EXPRESSION TAG' 184 3 1 4MDJ ASP A 185 ? UNP P01903 ? ? 'EXPRESSION TAG' 185 4 1 4MDJ ASP A 186 ? UNP P01903 ? ? 'EXPRESSION TAG' 186 5 1 4MDJ ASP A 187 ? UNP P01903 ? ? 'EXPRESSION TAG' 187 6 1 4MDJ ASP A 188 ? UNP P01903 ? ? 'EXPRESSION TAG' 188 7 1 4MDJ LYS A 189 ? UNP P01903 ? ? 'EXPRESSION TAG' 189 8 2 4MDJ GLY B 1 ? UNP P13760 ? ? 'EXPRESSION TAG' -1 9 2 4MDJ SER B 2 ? UNP P13760 ? ? 'EXPRESSION TAG' 0 10 2 4MDJ ILE B 69 ? UNP P13760 LEU 96 VARIANT 67 11 2 4MDJ ASP B 72 ? UNP P13760 GLN 99 VARIANT 70 12 2 4MDJ GLU B 73 ? UNP P13760 LYS 100 VARIANT 71 13 2 4MDJ VAL B 88 ? UNP P13760 GLY 115 VARIANT 86 14 2 4MDJ THR B 193 ? UNP P13760 ? ? 'EXPRESSION TAG' 191 15 2 4MDJ GLY B 194 ? UNP P13760 ? ? 'EXPRESSION TAG' 192 16 2 4MDJ GLY B 195 ? UNP P13760 ? ? 'EXPRESSION TAG' 193 17 2 4MDJ ASP B 196 ? UNP P13760 ? ? 'EXPRESSION TAG' 194 18 2 4MDJ ASP B 197 ? UNP P13760 ? ? 'EXPRESSION TAG' 195 19 2 4MDJ ASP B 198 ? UNP P13760 ? ? 'EXPRESSION TAG' 196 20 2 4MDJ ASP B 199 ? UNP P13760 ? ? 'EXPRESSION TAG' 197 21 2 4MDJ LYS B 200 ? UNP P13760 ? ? 'EXPRESSION TAG' 198 22 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4MDJ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.64 _exptl_crystal.density_percent_sol 53.43 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.3 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '25% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2012-09-26 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength .95370 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' _diffrn_source.pdbx_synchrotron_site 'Australian Synchrotron' _diffrn_source.pdbx_synchrotron_beamline MX2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list .95370 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4MDJ _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 62.43 _reflns.d_resolution_high 1.70 _reflns.number_obs 52300 _reflns.number_all ? _reflns.percent_possible_obs ? _reflns.pdbx_Rmerge_I_obs 0.105 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 6.4 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.70 _reflns_shell.d_res_low 1.79 _reflns_shell.percent_possible_all 99.8 _reflns_shell.Rmerge_I_obs 0.588 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.9 _reflns_shell.pdbx_redundancy 6.5 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4MDJ _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 52276 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 45.611 _refine.ls_d_res_high 1.700 _refine.ls_percent_reflns_obs 99.77 _refine.ls_R_factor_obs 0.1635 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1621 _refine.ls_R_factor_R_free 0.1882 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.05 _refine.ls_number_reflns_R_free 2640 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.15 _refine.pdbx_overall_phase_error 18.25 _refine.overall_SU_B ? _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.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3151 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 60 _refine_hist.number_atoms_solvent 535 _refine_hist.number_atoms_total 3746 _refine_hist.d_res_high 1.700 _refine_hist.d_res_low 45.611 # 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 f_bond_d 0.005 ? ? 3408 'X-RAY DIFFRACTION' ? f_angle_d 1.057 ? ? 4659 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 16.481 ? ? 1281 'X-RAY DIFFRACTION' ? f_chiral_restr 0.076 ? ? 505 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 610 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.7000 1.7309 2597 0.2246 100.00 0.2736 . . 136 . . . . 'X-RAY DIFFRACTION' . 1.7309 1.7642 2548 0.2099 100.00 0.2531 . . 153 . . . . 'X-RAY DIFFRACTION' . 1.7642 1.8002 2606 0.1982 100.00 0.2298 . . 136 . . . . 'X-RAY DIFFRACTION' . 1.8002 1.8394 2549 0.1848 100.00 0.2250 . . 138 . . . . 'X-RAY DIFFRACTION' . 1.8394 1.8822 2581 0.1785 100.00 0.2153 . . 136 . . . . 'X-RAY DIFFRACTION' . 1.8822 1.9292 2604 0.1684 100.00 0.2269 . . 127 . . . . 'X-RAY DIFFRACTION' . 1.9292 1.9814 2601 0.1723 100.00 0.2017 . . 122 . . . . 'X-RAY DIFFRACTION' . 1.9814 2.0397 2588 0.1662 100.00 0.2025 . . 152 . . . . 'X-RAY DIFFRACTION' . 2.0397 2.1055 2583 0.1539 100.00 0.1820 . . 140 . . . . 'X-RAY DIFFRACTION' . 2.1055 2.1808 2613 0.1565 100.00 0.2143 . . 128 . . . . 'X-RAY DIFFRACTION' . 2.1808 2.2681 2595 0.1546 100.00 0.1839 . . 133 . . . . 'X-RAY DIFFRACTION' . 2.2681 2.3713 2620 0.1597 100.00 0.1845 . . 135 . . . . 'X-RAY DIFFRACTION' . 2.3713 2.4963 2604 0.1617 100.00 0.2154 . . 129 . . . . 'X-RAY DIFFRACTION' . 2.4963 2.6527 2613 0.1614 100.00 0.1778 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.6527 2.8575 2616 0.1667 100.00 0.1962 . . 143 . . . . 'X-RAY DIFFRACTION' . 2.8575 3.1450 2624 0.1675 100.00 0.1797 . . 157 . . . . 'X-RAY DIFFRACTION' . 3.1450 3.5999 2642 0.1488 100.00 0.1849 . . 138 . . . . 'X-RAY DIFFRACTION' . 3.5999 4.5349 2665 0.1367 100.00 0.1421 . . 146 . . . . 'X-RAY DIFFRACTION' . 4.5349 45.6277 2787 0.1654 100.00 0.1730 . . 152 . . . . # _struct.entry_id 4MDJ _struct.title 'Immune Receptor' _struct.pdbx_descriptor 'HLA class II histocompatibility antigen, DR alpha chain, HLA class II histocompatibility antigen, DRB1-4 beta chain, Vimentin' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4MDJ _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'HLA-DR, Antigen presentation, T-cell receptor, Membrane, IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 6 ? J N N 6 ? K N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 45 ? PHE A 51 ? LEU A 45 PHE A 51 5 ? 7 HELX_P HELX_P2 2 ALA A 56 ? SER A 77 ? ALA A 56 SER A 77 1 ? 22 HELX_P HELX_P3 3 THR B 53 ? LEU B 55 ? THR B 51 LEU B 53 5 ? 3 HELX_P HELX_P4 4 GLY B 56 ? SER B 65 ? GLY B 54 SER B 63 1 ? 10 HELX_P HELX_P5 5 GLN B 66 ? ALA B 75 ? GLN B 64 ALA B 73 1 ? 10 HELX_P HELX_P6 6 ALA B 75 ? TYR B 80 ? ALA B 73 TYR B 78 1 ? 6 HELX_P HELX_P7 7 TYR B 80 ? GLU B 89 ? TYR B 78 GLU B 87 1 ? 10 HELX_P HELX_P8 8 SER B 90 ? THR B 92 ? SER B 88 THR B 90 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 107 SG ? ? ? 1_555 A CYS 163 SG ? ? A CYS 107 A CYS 163 1_555 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? B CYS 17 SG ? ? ? 1_555 B CYS 81 SG ? ? B CYS 15 B CYS 79 1_555 ? ? ? ? ? ? ? 2.061 ? disulf3 disulf ? ? B CYS 119 SG ? ? ? 1_555 B CYS 175 SG ? ? B CYS 117 B CYS 173 1_555 ? ? ? ? ? ? ? 2.020 ? covale1 covale ? ? A ASN 78 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 78 A NAG 500 1_555 ? ? ? ? ? ? ? 1.440 ? covale2 covale ? ? B ASN 21 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 19 B NAG 500 1_555 ? ? ? ? ? ? ? 1.441 ? covale3 covale ? ? A ASN 118 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 118 A NAG 501 1_555 ? ? ? ? ? ? ? 1.446 ? covale4 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.451 ? covale5 covale ? ? B CYS 119 SG ? ? ? 1_555 B CYS 175 SG ? ? B CYS 117 B CYS 173 1_555 ? ? ? ? ? ? ? 2.020 ? covale6 covale ? ? A CYS 107 SG ? ? ? 1_555 A CYS 163 SG ? ? A CYS 107 A CYS 163 1_555 ? ? ? ? ? ? ? 2.031 ? covale7 covale ? ? B CYS 17 SG ? ? ? 1_555 B CYS 81 SG ? ? B CYS 15 B CYS 79 1_555 ? ? ? ? ? ? ? 2.061 ? # 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 ASN 15 A . ? ASN 15 A PRO 16 A ? PRO 16 A 1 3.11 2 THR 113 A . ? THR 113 A PRO 114 A ? PRO 114 A 1 -1.26 3 TYR 125 B . ? TYR 123 B PRO 126 B ? PRO 124 B 1 2.07 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLU A 40 ? TRP A 43 ? GLU A 40 TRP A 43 A 2 ASP A 29 ? ASP A 35 ? ASP A 29 ASP A 35 A 3 SER A 19 ? PHE A 26 ? SER A 19 PHE A 26 A 4 HIS A 5 ? ASN A 15 ? HIS A 5 ASN A 15 A 5 PHE B 9 ? PHE B 20 ? PHE B 7 PHE B 18 A 6 ARG B 25 ? TYR B 34 ? ARG B 23 TYR B 32 A 7 GLU B 37 ? ASP B 43 ? GLU B 35 ASP B 41 A 8 TYR B 49 ? ALA B 51 ? TYR B 47 ALA B 49 B 1 GLU A 88 ? THR A 93 ? GLU A 88 THR A 93 B 2 ASN A 103 ? PHE A 112 ? ASN A 103 PHE A 112 B 3 PHE A 145 ? PHE A 153 ? PHE A 145 PHE A 153 B 4 SER A 133 ? GLU A 134 ? SER A 133 GLU A 134 C 1 GLU A 88 ? THR A 93 ? GLU A 88 THR A 93 C 2 ASN A 103 ? PHE A 112 ? ASN A 103 PHE A 112 C 3 PHE A 145 ? PHE A 153 ? PHE A 145 PHE A 153 C 4 LEU A 138 ? PRO A 139 ? LEU A 138 PRO A 139 D 1 LYS A 126 ? VAL A 128 ? LYS A 126 VAL A 128 D 2 ASN A 118 ? ARG A 123 ? ASN A 118 ARG A 123 D 3 VAL A 160 ? GLU A 166 ? VAL A 160 GLU A 166 D 4 LEU A 174 ? GLU A 179 ? LEU A 174 GLU A 179 E 1 GLU B 100 ? ALA B 106 ? GLU B 98 ALA B 104 E 2 LEU B 116 ? PHE B 124 ? LEU B 114 PHE B 122 E 3 PHE B 157 ? LEU B 163 ? PHE B 155 LEU B 161 E 4 VAL B 144 ? SER B 146 ? VAL B 142 SER B 144 F 1 GLU B 100 ? ALA B 106 ? GLU B 98 ALA B 104 F 2 LEU B 116 ? PHE B 124 ? LEU B 114 PHE B 122 F 3 PHE B 157 ? LEU B 163 ? PHE B 155 LEU B 161 F 4 ILE B 150 ? GLN B 151 ? ILE B 148 GLN B 149 G 1 GLN B 138 ? GLU B 140 ? GLN B 136 GLU B 138 G 2 GLU B 130 ? ARG B 135 ? GLU B 128 ARG B 133 G 3 VAL B 172 ? GLU B 178 ? VAL B 170 GLU B 176 G 4 LEU B 186 ? ARG B 191 ? LEU B 184 ARG B 189 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O VAL A 42 ? O VAL A 42 N HIS A 33 ? N HIS A 33 A 2 3 O ASP A 29 ? O ASP A 29 N PHE A 26 ? N PHE A 26 A 3 4 O ASP A 25 ? O ASP A 25 N ILE A 8 ? N ILE A 8 A 4 5 N HIS A 5 ? N HIS A 5 O PHE B 19 ? O PHE B 17 A 5 6 N HIS B 18 ? N HIS B 16 O ARG B 27 ? O ARG B 25 A 6 7 N TYR B 32 ? N TYR B 30 O TYR B 39 ? O TYR B 37 A 7 8 N ARG B 41 ? N ARG B 39 O ARG B 50 ? O ARG B 48 B 1 2 N LEU A 92 ? N LEU A 92 O ILE A 106 ? O ILE A 106 B 2 3 N LEU A 105 ? N LEU A 105 O LEU A 151 ? O LEU A 151 B 3 4 O TYR A 150 ? O TYR A 150 N SER A 133 ? N SER A 133 C 1 2 N LEU A 92 ? N LEU A 92 O ILE A 106 ? O ILE A 106 C 2 3 N LEU A 105 ? N LEU A 105 O LEU A 151 ? O LEU A 151 C 3 4 O ARG A 146 ? O ARG A 146 N LEU A 138 ? N LEU A 138 D 1 2 O LYS A 126 ? O LYS A 126 N ARG A 123 ? N ARG A 123 D 2 3 N THR A 120 ? N THR A 120 O ARG A 164 ? O ARG A 164 D 3 4 N TYR A 161 ? N TYR A 161 O TRP A 178 ? O TRP A 178 E 1 2 N THR B 102 ? N THR B 100 O SER B 120 ? O SER B 118 E 2 3 N VAL B 121 ? N VAL B 119 O THR B 159 ? O THR B 157 E 3 4 O MET B 162 ? O MET B 160 N VAL B 145 ? N VAL B 143 F 1 2 N THR B 102 ? N THR B 100 O SER B 120 ? O SER B 118 F 2 3 N VAL B 121 ? N VAL B 119 O THR B 159 ? O THR B 157 F 3 4 O GLN B 158 ? O GLN B 156 N ILE B 150 ? N ILE B 148 G 1 2 O GLN B 138 ? O GLN B 136 N ARG B 135 ? N ARG B 133 G 2 3 N ARG B 132 ? N ARG B 130 O GLN B 176 ? O GLN B 174 G 3 4 N VAL B 177 ? N VAL B 175 O LEU B 186 ? O LEU B 184 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO C 101' AC2 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG A 500 BOUND TO ASN A 78' AC3 Software ? ? ? ? 6 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 118 RESIDUES 501 TO 502' AC4 Software ? ? ? ? 1 'BINDING SITE FOR MONO-SACCHARIDE NAG B 500 BOUND TO ASN B 19' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 THR B 79 ? THR B 77 . ? 1_555 ? 2 AC1 5 TYR B 80 ? TYR B 78 . ? 1_555 ? 3 AC1 5 HIS B 113 ? HIS B 111 . ? 1_455 ? 4 AC1 5 LEU C 5 ? LEU C 5 . ? 1_555 ? 5 AC1 5 ARG C 6 ? ARG C 6 . ? 1_555 ? 6 AC2 3 ARG A 76 ? ARG A 76 . ? 1_555 ? 7 AC2 3 ASN A 78 ? ASN A 78 . ? 1_555 ? 8 AC2 3 LYS A 126 ? LYS A 126 . ? 8_445 ? 9 AC3 6 ASN A 118 ? ASN A 118 . ? 1_555 ? 10 AC3 6 TRP A 168 ? TRP A 168 . ? 1_555 ? 11 AC3 6 HOH I . ? HOH A 693 . ? 1_555 ? 12 AC3 6 HOH I . ? HOH A 827 . ? 1_555 ? 13 AC3 6 ASP B 4 ? ASP B 2 . ? 1_555 ? 14 AC3 6 HOH J . ? HOH B 720 . ? 1_555 ? 15 AC4 1 ASN B 21 ? ASN B 19 . ? 1_555 ? # _database_PDB_matrix.entry_id 4MDJ _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4MDJ _atom_sites.fract_transf_matrix[1][1] 0.015051 _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] 0.005481 _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] 0.012852 _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 . GLU A 1 3 ? -35.619 -13.541 -18.483 1.00 61.22 ? 3 GLU A N 1 ATOM 2 C CA . GLU A 1 3 ? -36.477 -12.632 -17.731 1.00 58.27 ? 3 GLU A CA 1 ATOM 3 C C . GLU A 1 3 ? -35.671 -11.716 -16.821 1.00 55.20 ? 3 GLU A C 1 ATOM 4 O O . GLU A 1 3 ? -34.512 -11.409 -17.097 1.00 58.45 ? 3 GLU A O 1 ATOM 5 C CB . GLU A 1 3 ? -37.506 -13.410 -16.902 1.00 56.06 ? 3 GLU A CB 1 ATOM 6 C CG . GLU A 1 3 ? -36.914 -14.499 -16.030 1.00 55.93 ? 3 GLU A CG 1 ATOM 7 C CD . GLU A 1 3 ? -36.858 -15.845 -16.729 1.00 58.66 ? 3 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 3 ? -35.868 -16.582 -16.529 1.00 61.44 ? 3 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 3 ? -37.807 -16.171 -17.473 1.00 56.72 ? 3 GLU A OE2 1 ATOM 10 N N . GLU A 1 4 ? -36.302 -11.279 -15.736 1.00 47.48 ? 4 GLU A N 1 ATOM 11 C CA . GLU A 1 4 ? -35.652 -10.415 -14.762 1.00 42.33 ? 4 GLU A CA 1 ATOM 12 C C . GLU A 1 4 ? -35.665 -11.063 -13.381 1.00 31.64 ? 4 GLU A C 1 ATOM 13 O O . GLU A 1 4 ? -34.664 -11.031 -12.668 1.00 28.16 ? 4 GLU A O 1 ATOM 14 C CB . GLU A 1 4 ? -36.338 -9.053 -14.714 1.00 46.03 ? 4 GLU A CB 1 ATOM 15 C CG . GLU A 1 4 ? -35.688 -8.068 -13.771 1.00 47.35 ? 4 GLU A CG 1 ATOM 16 C CD . GLU A 1 4 ? -36.453 -6.764 -13.690 1.00 52.14 ? 4 GLU A CD 1 ATOM 17 O OE1 . GLU A 1 4 ? -37.626 -6.743 -14.120 1.00 49.35 ? 4 GLU A OE1 1 ATOM 18 O OE2 . GLU A 1 4 ? -35.884 -5.764 -13.200 1.00 54.96 ? 4 GLU A OE2 1 ATOM 19 N N . HIS A 1 5 ? -36.801 -11.646 -13.007 1.00 19.78 ? 5 HIS A N 1 ATOM 20 C CA . HIS A 1 5 ? -36.898 -12.410 -11.765 1.00 17.64 ? 5 HIS A CA 1 ATOM 21 C C . HIS A 1 5 ? -37.870 -13.562 -11.913 1.00 19.77 ? 5 HIS A C 1 ATOM 22 O O . HIS A 1 5 ? -38.792 -13.507 -12.727 1.00 16.54 ? 5 HIS A O 1 ATOM 23 C CB . HIS A 1 5 ? -37.349 -11.529 -10.601 1.00 17.13 ? 5 HIS A CB 1 ATOM 24 C CG . HIS A 1 5 ? -36.423 -10.393 -10.314 1.00 18.68 ? 5 HIS A CG 1 ATOM 25 N ND1 . HIS A 1 5 ? -35.153 -10.581 -9.810 1.00 20.06 ? 5 HIS A ND1 1 ATOM 26 C CD2 . HIS A 1 5 ? -36.575 -9.056 -10.461 1.00 20.22 ? 5 HIS A CD2 1 ATOM 27 C CE1 . HIS A 1 5 ? -34.564 -9.409 -9.661 1.00 23.09 ? 5 HIS A CE1 1 ATOM 28 N NE2 . HIS A 1 5 ? -35.405 -8.465 -10.049 1.00 21.38 ? 5 HIS A NE2 1 ATOM 29 N N . VAL A 1 6 ? -37.654 -14.605 -11.119 1.00 14.66 ? 6 VAL A N 1 ATOM 30 C CA . VAL A 1 6 ? -38.545 -15.755 -11.106 1.00 13.27 ? 6 VAL A CA 1 ATOM 31 C C . VAL A 1 6 ? -38.874 -16.143 -9.671 1.00 12.57 ? 6 VAL A C 1 ATOM 32 O O . VAL A 1 6 ? -37.984 -16.326 -8.844 1.00 14.18 ? 6 VAL A O 1 ATOM 33 C CB . VAL A 1 6 ? -37.921 -16.970 -11.833 1.00 14.30 ? 6 VAL A CB 1 ATOM 34 C CG1 . VAL A 1 6 ? -38.898 -18.133 -11.851 1.00 15.52 ? 6 VAL A CG1 1 ATOM 35 C CG2 . VAL A 1 6 ? -37.511 -16.595 -13.257 1.00 16.39 ? 6 VAL A CG2 1 ATOM 36 N N . ILE A 1 7 ? -40.162 -16.255 -9.368 1.00 12.30 ? 7 ILE A N 1 ATOM 37 C CA . ILE A 1 7 ? -40.579 -16.748 -8.066 1.00 10.12 ? 7 ILE A CA 1 ATOM 38 C C . ILE A 1 7 ? -41.245 -18.097 -8.279 1.00 11.55 ? 7 ILE A C 1 ATOM 39 O O . ILE A 1 7 ? -42.135 -18.222 -9.126 1.00 10.84 ? 7 ILE A O 1 ATOM 40 C CB . ILE A 1 7 ? -41.581 -15.791 -7.398 1.00 12.05 ? 7 ILE A CB 1 ATOM 41 C CG1 . ILE A 1 7 ? -40.921 -14.426 -7.149 1.00 13.23 ? 7 ILE A CG1 1 ATOM 42 C CG2 . ILE A 1 7 ? -42.098 -16.403 -6.104 1.00 12.89 ? 7 ILE A CG2 1 ATOM 43 C CD1 . ILE A 1 7 ? -41.881 -13.367 -6.624 1.00 13.24 ? 7 ILE A CD1 1 ATOM 44 N N . ILE A 1 8 ? -40.801 -19.107 -7.537 1.00 10.59 ? 8 ILE A N 1 ATOM 45 C CA . ILE A 1 8 ? -41.356 -20.453 -7.690 1.00 9.44 ? 8 ILE A CA 1 ATOM 46 C C . ILE A 1 8 ? -41.853 -21.010 -6.367 1.00 10.59 ? 8 ILE A C 1 ATOM 47 O O . ILE A 1 8 ? -41.148 -20.986 -5.367 1.00 12.09 ? 8 ILE A O 1 ATOM 48 C CB . ILE A 1 8 ? -40.315 -21.440 -8.268 1.00 9.68 ? 8 ILE A CB 1 ATOM 49 C CG1 . ILE A 1 8 ? -39.858 -20.988 -9.655 1.00 11.56 ? 8 ILE A CG1 1 ATOM 50 C CG2 . ILE A 1 8 ? -40.907 -22.866 -8.336 1.00 10.24 ? 8 ILE A CG2 1 ATOM 51 C CD1 . ILE A 1 8 ? -38.797 -21.901 -10.280 1.00 14.81 ? 8 ILE A CD1 1 ATOM 52 N N . GLN A 1 9 ? -43.087 -21.500 -6.365 1.00 8.65 ? 9 GLN A N 1 ATOM 53 C CA . GLN A 1 9 ? -43.580 -22.290 -5.256 1.00 10.18 ? 9 GLN A CA 1 ATOM 54 C C . GLN A 1 9 ? -43.348 -23.748 -5.634 1.00 9.43 ? 9 GLN A C 1 ATOM 55 O O . GLN A 1 9 ? -43.985 -24.268 -6.556 1.00 9.25 ? 9 GLN A O 1 ATOM 56 C CB . GLN A 1 9 ? -45.063 -21.995 -5.045 1.00 9.77 ? 9 GLN A CB 1 ATOM 57 C CG . GLN A 1 9 ? -45.771 -22.868 -4.038 1.00 10.08 ? 9 GLN A CG 1 ATOM 58 C CD . GLN A 1 9 ? -47.270 -22.619 -4.051 1.00 10.47 ? 9 GLN A CD 1 ATOM 59 O OE1 . GLN A 1 9 ? -47.721 -21.478 -4.199 1.00 12.07 ? 9 GLN A OE1 1 ATOM 60 N NE2 . GLN A 1 9 ? -48.050 -23.685 -3.898 1.00 12.94 ? 9 GLN A NE2 1 ATOM 61 N N . ALA A 1 10 ? -42.401 -24.392 -4.953 1.00 9.36 ? 10 ALA A N 1 ATOM 62 C CA . ALA A 1 10 ? -42.001 -25.753 -5.302 1.00 10.10 ? 10 ALA A CA 1 ATOM 63 C C . ALA A 1 10 ? -42.440 -26.736 -4.230 1.00 11.02 ? 10 ALA A C 1 ATOM 64 O O . ALA A 1 10 ? -42.262 -26.496 -3.030 1.00 12.39 ? 10 ALA A O 1 ATOM 65 C CB . ALA A 1 10 ? -40.486 -25.836 -5.516 1.00 8.72 ? 10 ALA A CB 1 ATOM 66 N N . GLU A 1 11 ? -43.017 -27.846 -4.675 1.00 8.18 ? 11 GLU A N 1 ATOM 67 C CA . GLU A 1 11 ? -43.567 -28.853 -3.778 1.00 10.06 ? 11 GLU A CA 1 ATOM 68 C C . GLU A 1 11 ? -43.051 -30.209 -4.206 1.00 7.16 ? 11 GLU A C 1 ATOM 69 O O . GLU A 1 11 ? -42.768 -30.437 -5.385 1.00 9.23 ? 11 GLU A O 1 ATOM 70 C CB . GLU A 1 11 ? -45.094 -28.884 -3.876 1.00 11.82 ? 11 GLU A CB 1 ATOM 71 C CG . GLU A 1 11 ? -45.766 -27.563 -3.553 1.00 14.48 ? 11 GLU A CG 1 ATOM 72 C CD . GLU A 1 11 ? -47.210 -27.515 -4.011 1.00 11.55 ? 11 GLU A CD 1 ATOM 73 O OE1 . GLU A 1 11 ? -47.846 -28.586 -4.158 1.00 13.88 ? 11 GLU A OE1 1 ATOM 74 O OE2 . GLU A 1 11 ? -47.716 -26.400 -4.224 1.00 12.93 ? 11 GLU A OE2 1 ATOM 75 N N . PHE A 1 12 ? -42.919 -31.114 -3.250 1.00 8.44 ? 12 PHE A N 1 ATOM 76 C CA . PHE A 1 12 ? -42.743 -32.514 -3.615 1.00 9.19 ? 12 PHE A CA 1 ATOM 77 C C . PHE A 1 12 ? -43.371 -33.448 -2.605 1.00 11.59 ? 12 PHE A C 1 ATOM 78 O O . PHE A 1 12 ? -43.593 -33.082 -1.455 1.00 10.10 ? 12 PHE A O 1 ATOM 79 C CB . PHE A 1 12 ? -41.278 -32.895 -3.919 1.00 7.75 ? 12 PHE A CB 1 ATOM 80 C CG . PHE A 1 12 ? -40.365 -32.960 -2.716 1.00 10.39 ? 12 PHE A CG 1 ATOM 81 C CD1 . PHE A 1 12 ? -40.408 -34.035 -1.832 1.00 12.89 ? 12 PHE A CD1 1 ATOM 82 C CD2 . PHE A 1 12 ? -39.410 -31.976 -2.515 1.00 13.59 ? 12 PHE A CD2 1 ATOM 83 C CE1 . PHE A 1 12 ? -39.544 -34.099 -0.746 1.00 12.33 ? 12 PHE A CE1 1 ATOM 84 C CE2 . PHE A 1 12 ? -38.544 -32.039 -1.441 1.00 12.67 ? 12 PHE A CE2 1 ATOM 85 C CZ . PHE A 1 12 ? -38.617 -33.100 -0.549 1.00 13.33 ? 12 PHE A CZ 1 ATOM 86 N N . TYR A 1 13 ? -43.677 -34.653 -3.065 1.00 9.51 ? 13 TYR A N 1 ATOM 87 C CA . TYR A 1 13 ? -44.056 -35.722 -2.168 1.00 11.20 ? 13 TYR A CA 1 ATOM 88 C C . TYR A 1 13 ? -43.349 -36.986 -2.628 1.00 12.01 ? 13 TYR A C 1 ATOM 89 O O . TYR A 1 13 ? -43.316 -37.288 -3.820 1.00 10.51 ? 13 TYR A O 1 ATOM 90 C CB . TYR A 1 13 ? -45.571 -35.924 -2.140 1.00 13.04 ? 13 TYR A CB 1 ATOM 91 C CG . TYR A 1 13 ? -45.986 -36.843 -1.021 1.00 14.65 ? 13 TYR A CG 1 ATOM 92 C CD1 . TYR A 1 13 ? -46.277 -36.342 0.241 1.00 17.60 ? 13 TYR A CD1 1 ATOM 93 C CD2 . TYR A 1 13 ? -46.050 -38.217 -1.213 1.00 15.79 ? 13 TYR A CD2 1 ATOM 94 C CE1 . TYR A 1 13 ? -46.639 -37.181 1.276 1.00 21.02 ? 13 TYR A CE1 1 ATOM 95 C CE2 . TYR A 1 13 ? -46.409 -39.063 -0.186 1.00 18.89 ? 13 TYR A CE2 1 ATOM 96 C CZ . TYR A 1 13 ? -46.705 -38.536 1.059 1.00 22.40 ? 13 TYR A CZ 1 ATOM 97 O OH . TYR A 1 13 ? -47.071 -39.376 2.086 1.00 26.79 ? 13 TYR A OH 1 ATOM 98 N N . LEU A 1 14 ? -42.780 -37.713 -1.672 1.00 10.20 ? 14 LEU A N 1 ATOM 99 C CA . LEU A 1 14 ? -41.964 -38.879 -1.974 1.00 9.35 ? 14 LEU A CA 1 ATOM 100 C C . LEU A 1 14 ? -42.473 -40.109 -1.245 1.00 15.38 ? 14 LEU A C 1 ATOM 101 O O . LEU A 1 14 ? -42.639 -40.086 -0.026 1.00 12.38 ? 14 LEU A O 1 ATOM 102 C CB . LEU A 1 14 ? -40.521 -38.621 -1.549 1.00 9.66 ? 14 LEU A CB 1 ATOM 103 C CG . LEU A 1 14 ? -39.529 -39.770 -1.744 1.00 10.35 ? 14 LEU A CG 1 ATOM 104 C CD1 . LEU A 1 14 ? -39.248 -39.999 -3.222 1.00 13.94 ? 14 LEU A CD1 1 ATOM 105 C CD2 . LEU A 1 14 ? -38.253 -39.465 -0.999 1.00 13.73 ? 14 LEU A CD2 1 ATOM 106 N N . ASN A 1 15 ? -42.722 -41.175 -2.002 1.00 10.67 ? 15 ASN A N 1 ATOM 107 C CA . ASN A 1 15 ? -43.047 -42.488 -1.444 1.00 12.46 ? 15 ASN A CA 1 ATOM 108 C C . ASN A 1 15 ? -41.837 -43.404 -1.593 1.00 15.18 ? 15 ASN A C 1 ATOM 109 O O . ASN A 1 15 ? -41.085 -43.269 -2.558 1.00 15.54 ? 15 ASN A O 1 ATOM 110 C CB . ASN A 1 15 ? -44.229 -43.097 -2.199 1.00 13.47 ? 15 ASN A CB 1 ATOM 111 C CG . ASN A 1 15 ? -45.571 -42.699 -1.613 1.00 20.74 ? 15 ASN A CG 1 ATOM 112 O OD1 . ASN A 1 15 ? -45.684 -42.435 -0.412 1.00 20.56 ? 15 ASN A OD1 1 ATOM 113 N ND2 . ASN A 1 15 ? -46.605 -42.680 -2.455 1.00 19.01 ? 15 ASN A ND2 1 ATOM 114 N N . PRO A 1 16 ? -41.656 -44.366 -0.669 1.00 15.72 ? 16 PRO A N 1 ATOM 115 C CA . PRO A 1 16 ? -42.510 -44.720 0.471 1.00 15.65 ? 16 PRO A CA 1 ATOM 116 C C . PRO A 1 16 ? -42.159 -43.934 1.730 1.00 17.71 ? 16 PRO A C 1 ATOM 117 O O . PRO A 1 16 ? -42.730 -44.189 2.791 1.00 18.80 ? 16 PRO A O 1 ATOM 118 C CB . PRO A 1 16 ? -42.179 -46.198 0.688 1.00 17.15 ? 16 PRO A CB 1 ATOM 119 C CG . PRO A 1 16 ? -40.722 -46.277 0.321 1.00 18.48 ? 16 PRO A CG 1 ATOM 120 C CD . PRO A 1 16 ? -40.550 -45.328 -0.837 1.00 15.62 ? 16 PRO A CD 1 ATOM 121 N N . ASP A 1 17 ? -41.237 -42.986 1.613 1.00 15.72 ? 17 ASP A N 1 ATOM 122 C CA . ASP A 1 17 ? -40.770 -42.226 2.765 1.00 17.66 ? 17 ASP A CA 1 ATOM 123 C C . ASP A 1 17 ? -41.875 -41.385 3.397 1.00 17.34 ? 17 ASP A C 1 ATOM 124 O O . ASP A 1 17 ? -41.818 -41.069 4.586 1.00 19.24 ? 17 ASP A O 1 ATOM 125 C CB . ASP A 1 17 ? -39.593 -41.341 2.354 1.00 18.08 ? 17 ASP A CB 1 ATOM 126 C CG . ASP A 1 17 ? -38.486 -42.136 1.694 1.00 19.93 ? 17 ASP A CG 1 ATOM 127 O OD1 . ASP A 1 17 ? -38.652 -42.508 0.514 1.00 17.13 ? 17 ASP A OD1 1 ATOM 128 O OD2 . ASP A 1 17 ? -37.469 -42.413 2.363 1.00 23.60 ? 17 ASP A OD2 1 ATOM 129 N N . GLN A 1 18 ? -42.883 -41.057 2.593 1.00 15.99 ? 18 GLN A N 1 ATOM 130 C CA . GLN A 1 18 ? -43.970 -40.166 2.991 1.00 16.40 ? 18 GLN A CA 1 ATOM 131 C C . GLN A 1 18 ? -43.446 -38.785 3.379 1.00 19.70 ? 18 GLN A C 1 ATOM 132 O O . GLN A 1 18 ? -43.934 -38.159 4.316 1.00 21.28 ? 18 GLN A O 1 ATOM 133 C CB . GLN A 1 18 ? -44.820 -40.790 4.104 1.00 19.91 ? 18 GLN A CB 1 ATOM 134 C CG . GLN A 1 18 ? -45.377 -42.149 3.715 1.00 23.68 ? 18 GLN A CG 1 ATOM 135 C CD . GLN A 1 18 ? -46.499 -42.610 4.618 1.00 33.36 ? 18 GLN A CD 1 ATOM 136 O OE1 . GLN A 1 18 ? -47.597 -42.914 4.152 1.00 41.44 ? 18 GLN A OE1 1 ATOM 137 N NE2 . GLN A 1 18 ? -46.231 -42.674 5.914 1.00 34.68 ? 18 GLN A NE2 1 ATOM 138 N N . SER A 1 19 ? -42.442 -38.323 2.641 1.00 15.36 ? 19 SER A N 1 ATOM 139 C CA . SER A 1 19 ? -41.879 -37.000 2.858 1.00 18.19 ? 19 SER A CA 1 ATOM 140 C C . SER A 1 19 ? -42.522 -36.014 1.904 1.00 14.68 ? 19 SER A C 1 ATOM 141 O O . SER A 1 19 ? -42.576 -36.259 0.702 1.00 16.67 ? 19 SER A O 1 ATOM 142 C CB . SER A 1 19 ? -40.367 -37.014 2.617 1.00 23.02 ? 19 SER A CB 1 ATOM 143 O OG . SER A 1 19 ? -39.730 -37.920 3.490 1.00 34.20 ? 19 SER A OG 1 ATOM 144 N N . GLY A 1 20 ? -42.994 -34.894 2.443 1.00 15.98 ? 20 GLY A N 1 ATOM 145 C CA . GLY A 1 20 ? -43.500 -33.804 1.630 1.00 17.42 ? 20 GLY A CA 1 ATOM 146 C C . GLY A 1 20 ? -42.799 -32.506 2.003 1.00 23.42 ? 20 GLY A C 1 ATOM 147 O O . GLY A 1 20 ? -42.431 -32.311 3.161 1.00 31.05 ? 20 GLY A O 1 ATOM 148 N N . GLU A 1 21 ? -42.597 -31.623 1.029 1.00 13.02 ? 21 GLU A N 1 ATOM 149 C CA A GLU A 1 21 ? -41.958 -30.327 1.262 0.55 13.61 ? 21 GLU A CA 1 ATOM 150 C CA B GLU A 1 21 ? -42.014 -30.320 1.317 0.45 13.33 ? 21 GLU A CA 1 ATOM 151 C C . GLU A 1 21 ? -42.698 -29.234 0.496 1.00 11.99 ? 21 GLU A C 1 ATOM 152 O O . GLU A 1 21 ? -43.255 -29.493 -0.566 1.00 10.98 ? 21 GLU A O 1 ATOM 153 C CB A GLU A 1 21 ? -40.489 -30.356 0.819 0.55 13.72 ? 21 GLU A CB 1 ATOM 154 C CB B GLU A 1 21 ? -40.488 -30.320 1.114 0.45 15.42 ? 21 GLU A CB 1 ATOM 155 C CG A GLU A 1 21 ? -39.707 -29.092 1.179 0.55 14.62 ? 21 GLU A CG 1 ATOM 156 C CG B GLU A 1 21 ? -39.733 -31.096 2.199 0.45 19.27 ? 21 GLU A CG 1 ATOM 157 C CD A GLU A 1 21 ? -38.325 -29.033 0.552 0.55 14.44 ? 21 GLU A CD 1 ATOM 158 C CD B GLU A 1 21 ? -38.260 -30.724 2.317 0.45 19.55 ? 21 GLU A CD 1 ATOM 159 O OE1 A GLU A 1 21 ? -37.391 -29.651 1.102 0.55 15.93 ? 21 GLU A OE1 1 ATOM 160 O OE1 B GLU A 1 21 ? -37.737 -30.028 1.422 0.45 17.39 ? 21 GLU A OE1 1 ATOM 161 O OE2 A GLU A 1 21 ? -38.175 -28.357 -0.487 0.55 13.14 ? 21 GLU A OE2 1 ATOM 162 O OE2 B GLU A 1 21 ? -37.626 -31.136 3.316 0.45 14.14 ? 21 GLU A OE2 1 ATOM 163 N N . PHE A 1 22 ? -42.684 -28.020 1.026 1.00 11.74 ? 22 PHE A N 1 ATOM 164 C CA . PHE A 1 22 ? -43.354 -26.887 0.403 1.00 12.05 ? 22 PHE A CA 1 ATOM 165 C C . PHE A 1 22 ? -42.472 -25.678 0.634 1.00 12.15 ? 22 PHE A C 1 ATOM 166 O O . PHE A 1 22 ? -42.170 -25.335 1.780 1.00 14.37 ? 22 PHE A O 1 ATOM 167 C CB . PHE A 1 22 ? -44.721 -26.681 1.063 1.00 14.46 ? 22 PHE A CB 1 ATOM 168 C CG . PHE A 1 22 ? -45.523 -25.529 0.504 1.00 15.71 ? 22 PHE A CG 1 ATOM 169 C CD1 . PHE A 1 22 ? -46.614 -25.765 -0.321 1.00 15.18 ? 22 PHE A CD1 1 ATOM 170 C CD2 . PHE A 1 22 ? -45.217 -24.216 0.837 1.00 14.02 ? 22 PHE A CD2 1 ATOM 171 C CE1 . PHE A 1 22 ? -47.364 -24.713 -0.823 1.00 14.31 ? 22 PHE A CE1 1 ATOM 172 C CE2 . PHE A 1 22 ? -45.962 -23.161 0.333 1.00 15.29 ? 22 PHE A CE2 1 ATOM 173 C CZ . PHE A 1 22 ? -47.040 -23.413 -0.496 1.00 17.30 ? 22 PHE A CZ 1 ATOM 174 N N . MET A 1 23 ? -42.058 -25.028 -0.445 1.00 9.08 ? 23 MET A N 1 ATOM 175 C CA . MET A 1 23 ? -41.169 -23.872 -0.306 1.00 11.40 ? 23 MET A CA 1 ATOM 176 C C . MET A 1 23 ? -41.369 -22.860 -1.417 1.00 11.06 ? 23 MET A C 1 ATOM 177 O O . MET A 1 23 ? -41.923 -23.182 -2.465 1.00 12.34 ? 23 MET A O 1 ATOM 178 C CB . MET A 1 23 ? -39.700 -24.313 -0.259 1.00 13.87 ? 23 MET A CB 1 ATOM 179 C CG . MET A 1 23 ? -39.178 -24.934 -1.553 1.00 14.16 ? 23 MET A CG 1 ATOM 180 S SD . MET A 1 23 ? -38.545 -23.755 -2.780 1.00 14.23 ? 23 MET A SD 1 ATOM 181 C CE . MET A 1 23 ? -37.044 -23.197 -1.983 1.00 14.39 ? 23 MET A CE 1 ATOM 182 N N . PHE A 1 24 ? -40.942 -21.624 -1.159 1.00 11.23 ? 24 PHE A N 1 ATOM 183 C CA . PHE A 1 24 ? -40.890 -20.588 -2.180 1.00 11.72 ? 24 PHE A CA 1 ATOM 184 C C . PHE A 1 24 ? -39.435 -20.230 -2.464 1.00 9.82 ? 24 PHE A C 1 ATOM 185 O O . PHE A 1 24 ? -38.621 -20.113 -1.538 1.00 12.65 ? 24 PHE A O 1 ATOM 186 C CB . PHE A 1 24 ? -41.623 -19.326 -1.719 1.00 14.86 ? 24 PHE A CB 1 ATOM 187 C CG . PHE A 1 24 ? -43.066 -19.268 -2.128 1.00 12.44 ? 24 PHE A CG 1 ATOM 188 C CD1 . PHE A 1 24 ? -44.006 -20.079 -1.520 1.00 15.82 ? 24 PHE A CD1 1 ATOM 189 C CD2 . PHE A 1 24 ? -43.489 -18.368 -3.094 1.00 14.10 ? 24 PHE A CD2 1 ATOM 190 C CE1 . PHE A 1 24 ? -45.348 -20.010 -1.881 1.00 15.94 ? 24 PHE A CE1 1 ATOM 191 C CE2 . PHE A 1 24 ? -44.826 -18.295 -3.460 1.00 12.77 ? 24 PHE A CE2 1 ATOM 192 C CZ . PHE A 1 24 ? -45.756 -19.121 -2.853 1.00 14.38 ? 24 PHE A CZ 1 ATOM 193 N N . ASP A 1 25 ? -39.131 -20.052 -3.748 1.00 10.99 ? 25 ASP A N 1 ATOM 194 C CA . ASP A 1 25 ? -37.794 -19.719 -4.233 1.00 15.85 ? 25 ASP A CA 1 ATOM 195 C C . ASP A 1 25 ? -37.850 -18.400 -5.007 1.00 12.92 ? 25 ASP A C 1 ATOM 196 O O . ASP A 1 25 ? -38.795 -18.152 -5.760 1.00 13.52 ? 25 ASP A O 1 ATOM 197 C CB . ASP A 1 25 ? -37.304 -20.851 -5.154 1.00 15.64 ? 25 ASP A CB 1 ATOM 198 C CG . ASP A 1 25 ? -35.942 -20.573 -5.782 1.00 20.12 ? 25 ASP A CG 1 ATOM 199 O OD1 . ASP A 1 25 ? -34.963 -21.238 -5.388 1.00 21.67 ? 25 ASP A OD1 1 ATOM 200 O OD2 . ASP A 1 25 ? -35.847 -19.710 -6.681 1.00 22.12 ? 25 ASP A OD2 1 ATOM 201 N N . PHE A 1 26 ? -36.847 -17.552 -4.806 1.00 10.92 ? 26 PHE A N 1 ATOM 202 C CA . PHE A 1 26 ? -36.693 -16.323 -5.572 1.00 13.95 ? 26 PHE A CA 1 ATOM 203 C C . PHE A 1 26 ? -35.308 -16.337 -6.192 1.00 13.67 ? 26 PHE A C 1 ATOM 204 O O . PHE A 1 26 ? -34.312 -16.274 -5.472 1.00 15.84 ? 26 PHE A O 1 ATOM 205 C CB . PHE A 1 26 ? -36.832 -15.105 -4.650 1.00 12.66 ? 26 PHE A CB 1 ATOM 206 C CG . PHE A 1 26 ? -36.539 -13.783 -5.320 1.00 16.48 ? 26 PHE A CG 1 ATOM 207 C CD1 . PHE A 1 26 ? -37.543 -13.086 -5.974 1.00 15.73 ? 26 PHE A CD1 1 ATOM 208 C CD2 . PHE A 1 26 ? -35.267 -13.230 -5.275 1.00 17.87 ? 26 PHE A CD2 1 ATOM 209 C CE1 . PHE A 1 26 ? -37.277 -11.869 -6.584 1.00 15.98 ? 26 PHE A CE1 1 ATOM 210 C CE2 . PHE A 1 26 ? -34.992 -12.019 -5.882 1.00 17.85 ? 26 PHE A CE2 1 ATOM 211 C CZ . PHE A 1 26 ? -36.008 -11.335 -6.537 1.00 16.94 ? 26 PHE A CZ 1 ATOM 212 N N . ASP A 1 27 ? -35.246 -16.420 -7.519 1.00 13.18 ? 27 ASP A N 1 ATOM 213 C CA . ASP A 1 27 ? -33.972 -16.421 -8.246 1.00 12.90 ? 27 ASP A CA 1 ATOM 214 C C . ASP A 1 27 ? -32.944 -17.412 -7.695 1.00 18.00 ? 27 ASP A C 1 ATOM 215 O O . ASP A 1 27 ? -31.741 -17.130 -7.677 1.00 16.29 ? 27 ASP A O 1 ATOM 216 C CB . ASP A 1 27 ? -33.369 -15.009 -8.268 1.00 12.76 ? 27 ASP A CB 1 ATOM 217 C CG . ASP A 1 27 ? -34.150 -14.046 -9.147 1.00 21.18 ? 27 ASP A CG 1 ATOM 218 O OD1 . ASP A 1 27 ? -35.075 -14.485 -9.859 1.00 18.77 ? 27 ASP A OD1 1 ATOM 219 O OD2 . ASP A 1 27 ? -33.825 -12.842 -9.142 1.00 19.61 ? 27 ASP A OD2 1 ATOM 220 N N . GLY A 1 28 ? -33.410 -18.567 -7.236 1.00 15.72 ? 28 GLY A N 1 ATOM 221 C CA . GLY A 1 28 ? -32.506 -19.591 -6.743 1.00 15.23 ? 28 GLY A CA 1 ATOM 222 C C . GLY A 1 28 ? -32.224 -19.579 -5.246 1.00 16.69 ? 28 GLY A C 1 ATOM 223 O O . GLY A 1 28 ? -31.530 -20.457 -4.738 1.00 20.29 ? 28 GLY A O 1 ATOM 224 N N . ASP A 1 29 ? -32.752 -18.591 -4.534 1.00 12.52 ? 29 ASP A N 1 ATOM 225 C CA . ASP A 1 29 ? -32.656 -18.592 -3.080 1.00 10.71 ? 29 ASP A CA 1 ATOM 226 C C . ASP A 1 29 ? -34.010 -18.855 -2.447 1.00 13.04 ? 29 ASP A C 1 ATOM 227 O O . ASP A 1 29 ? -35.040 -18.462 -2.983 1.00 14.33 ? 29 ASP A O 1 ATOM 228 C CB . ASP A 1 29 ? -32.080 -17.276 -2.564 1.00 11.02 ? 29 ASP A CB 1 ATOM 229 C CG . ASP A 1 29 ? -30.579 -17.217 -2.713 1.00 16.66 ? 29 ASP A CG 1 ATOM 230 O OD1 . ASP A 1 29 ? -29.879 -17.961 -1.983 1.00 23.67 ? 29 ASP A OD1 1 ATOM 231 O OD2 . ASP A 1 29 ? -30.097 -16.444 -3.565 1.00 15.12 ? 29 ASP A OD2 1 ATOM 232 N N . GLU A 1 30 ? -33.991 -19.516 -1.297 1.00 12.41 ? 30 GLU A N 1 ATOM 233 C CA . GLU A 1 30 ? -35.224 -19.862 -0.594 1.00 12.38 ? 30 GLU A CA 1 ATOM 234 C C . GLU A 1 30 ? -35.805 -18.664 0.152 1.00 11.44 ? 30 GLU A C 1 ATOM 235 O O . GLU A 1 30 ? -35.110 -18.033 0.940 1.00 11.55 ? 30 GLU A O 1 ATOM 236 C CB . GLU A 1 30 ? -34.941 -20.983 0.408 1.00 12.58 ? 30 GLU A CB 1 ATOM 237 C CG . GLU A 1 30 ? -36.109 -21.270 1.330 1.00 15.63 ? 30 GLU A CG 1 ATOM 238 C CD . GLU A 1 30 ? -35.759 -22.232 2.451 1.00 17.52 ? 30 GLU A CD 1 ATOM 239 O OE1 . GLU A 1 30 ? -34.618 -22.741 2.487 1.00 18.57 ? 30 GLU A OE1 1 ATOM 240 O OE2 . GLU A 1 30 ? -36.636 -22.470 3.302 1.00 16.38 ? 30 GLU A OE2 1 ATOM 241 N N . ILE A 1 31 ? -37.080 -18.352 -0.075 1.00 10.42 ? 31 ILE A N 1 ATOM 242 C CA . ILE A 1 31 ? -37.717 -17.291 0.704 1.00 10.70 ? 31 ILE A CA 1 ATOM 243 C C . ILE A 1 31 ? -38.156 -17.878 2.037 1.00 12.71 ? 31 ILE A C 1 ATOM 244 O O . ILE A 1 31 ? -37.841 -17.343 3.101 1.00 14.84 ? 31 ILE A O 1 ATOM 245 C CB . ILE A 1 31 ? -38.951 -16.698 0.001 1.00 14.12 ? 31 ILE A CB 1 ATOM 246 C CG1 . ILE A 1 31 ? -38.592 -16.206 -1.401 1.00 12.77 ? 31 ILE A CG1 1 ATOM 247 C CG2 . ILE A 1 31 ? -39.532 -15.556 0.824 1.00 12.46 ? 31 ILE A CG2 1 ATOM 248 C CD1 . ILE A 1 31 ? -39.771 -15.546 -2.113 1.00 13.83 ? 31 ILE A CD1 1 ATOM 249 N N . PHE A 1 32 ? -38.882 -18.991 1.961 1.00 12.22 ? 32 PHE A N 1 ATOM 250 C CA . PHE A 1 32 ? -39.320 -19.709 3.150 1.00 13.45 ? 32 PHE A CA 1 ATOM 251 C C . PHE A 1 32 ? -39.699 -21.133 2.791 1.00 11.60 ? 32 PHE A C 1 ATOM 252 O O . PHE A 1 32 ? -39.840 -21.470 1.617 1.00 11.39 ? 32 PHE A O 1 ATOM 253 C CB . PHE A 1 32 ? -40.508 -18.999 3.830 1.00 10.50 ? 32 PHE A CB 1 ATOM 254 C CG . PHE A 1 32 ? -41.813 -19.108 3.078 1.00 12.09 ? 32 PHE A CG 1 ATOM 255 C CD1 . PHE A 1 32 ? -42.696 -20.148 3.334 1.00 14.78 ? 32 PHE A CD1 1 ATOM 256 C CD2 . PHE A 1 32 ? -42.161 -18.160 2.128 1.00 13.73 ? 32 PHE A CD2 1 ATOM 257 C CE1 . PHE A 1 32 ? -43.906 -20.241 2.648 1.00 16.56 ? 32 PHE A CE1 1 ATOM 258 C CE2 . PHE A 1 32 ? -43.370 -18.249 1.438 1.00 15.99 ? 32 PHE A CE2 1 ATOM 259 C CZ . PHE A 1 32 ? -44.236 -19.289 1.699 1.00 16.02 ? 32 PHE A CZ 1 ATOM 260 N N . HIS A 1 33 ? -39.852 -21.968 3.810 1.00 11.64 ? 33 HIS A N 1 ATOM 261 C CA . HIS A 1 33 ? -40.490 -23.265 3.633 1.00 12.03 ? 33 HIS A CA 1 ATOM 262 C C . HIS A 1 33 ? -41.442 -23.463 4.795 1.00 14.44 ? 33 HIS A C 1 ATOM 263 O O . HIS A 1 33 ? -41.405 -22.707 5.765 1.00 15.22 ? 33 HIS A O 1 ATOM 264 C CB . HIS A 1 33 ? -39.464 -24.405 3.575 1.00 10.98 ? 33 HIS A CB 1 ATOM 265 C CG . HIS A 1 33 ? -38.769 -24.671 4.875 1.00 15.14 ? 33 HIS A CG 1 ATOM 266 N ND1 . HIS A 1 33 ? -37.565 -24.086 5.210 1.00 15.47 ? 33 HIS A ND1 1 ATOM 267 C CD2 . HIS A 1 33 ? -39.102 -25.466 5.919 1.00 16.59 ? 33 HIS A CD2 1 ATOM 268 C CE1 . HIS A 1 33 ? -37.192 -24.505 6.405 1.00 17.69 ? 33 HIS A CE1 1 ATOM 269 N NE2 . HIS A 1 33 ? -38.104 -25.348 6.856 1.00 14.89 ? 33 HIS A NE2 1 ATOM 270 N N . VAL A 1 34 ? -42.298 -24.471 4.698 1.00 12.91 ? 34 VAL A N 1 ATOM 271 C CA . VAL A 1 34 ? -43.184 -24.801 5.799 1.00 12.22 ? 34 VAL A CA 1 ATOM 272 C C . VAL A 1 34 ? -42.691 -26.046 6.523 1.00 17.54 ? 34 VAL A C 1 ATOM 273 O O . VAL A 1 34 ? -42.459 -27.083 5.902 1.00 16.92 ? 34 VAL A O 1 ATOM 274 C CB . VAL A 1 34 ? -44.627 -25.028 5.305 1.00 12.85 ? 34 VAL A CB 1 ATOM 275 C CG1 . VAL A 1 34 ? -45.502 -25.588 6.431 1.00 14.94 ? 34 VAL A CG1 1 ATOM 276 C CG2 . VAL A 1 34 ? -45.201 -23.727 4.769 1.00 18.22 ? 34 VAL A CG2 1 ATOM 277 N N . ASP A 1 35 ? -42.504 -25.926 7.834 1.00 16.66 ? 35 ASP A N 1 ATOM 278 C CA . ASP A 1 35 ? -42.252 -27.084 8.680 1.00 21.88 ? 35 ASP A CA 1 ATOM 279 C C . ASP A 1 35 ? -43.580 -27.825 8.770 1.00 23.65 ? 35 ASP A C 1 ATOM 280 O O . ASP A 1 35 ? -44.481 -27.400 9.487 1.00 23.09 ? 35 ASP A O 1 ATOM 281 C CB . ASP A 1 35 ? -41.795 -26.625 10.071 1.00 25.12 ? 35 ASP A CB 1 ATOM 282 C CG . ASP A 1 35 ? -41.470 -27.785 11.012 1.00 31.72 ? 35 ASP A CG 1 ATOM 283 O OD1 . ASP A 1 35 ? -42.115 -28.853 10.933 1.00 27.37 ? 35 ASP A OD1 1 ATOM 284 O OD2 . ASP A 1 35 ? -40.565 -27.614 11.856 1.00 35.90 ? 35 ASP A OD2 1 ATOM 285 N N . MET A 1 36 ? -43.697 -28.928 8.038 1.00 24.81 ? 36 MET A N 1 ATOM 286 C CA . MET A 1 36 ? -44.973 -29.623 7.891 1.00 28.25 ? 36 MET A CA 1 ATOM 287 C C . MET A 1 36 ? -45.456 -30.268 9.192 1.00 31.39 ? 36 MET A C 1 ATOM 288 O O . MET A 1 36 ? -46.658 -30.386 9.425 1.00 32.84 ? 36 MET A O 1 ATOM 289 C CB . MET A 1 36 ? -44.891 -30.672 6.777 1.00 29.78 ? 36 MET A CB 1 ATOM 290 C CG . MET A 1 36 ? -44.437 -30.132 5.423 1.00 28.63 ? 36 MET A CG 1 ATOM 291 S SD . MET A 1 36 ? -45.567 -28.939 4.664 1.00 34.49 ? 36 MET A SD 1 ATOM 292 C CE . MET A 1 36 ? -47.084 -29.877 4.634 1.00 43.53 ? 36 MET A CE 1 ATOM 293 N N . ALA A 1 37 ? -44.518 -30.684 10.036 1.00 30.30 ? 37 ALA A N 1 ATOM 294 C CA . ALA A 1 37 ? -44.869 -31.296 11.314 1.00 32.84 ? 37 ALA A CA 1 ATOM 295 C C . ALA A 1 37 ? -45.417 -30.263 12.298 1.00 30.84 ? 37 ALA A C 1 ATOM 296 O O . ALA A 1 37 ? -46.457 -30.475 12.921 1.00 32.94 ? 37 ALA A O 1 ATOM 297 C CB . ALA A 1 37 ? -43.666 -32.007 11.908 1.00 33.93 ? 37 ALA A CB 1 ATOM 298 N N . LYS A 1 38 ? -44.711 -29.145 12.432 1.00 28.05 ? 38 LYS A N 1 ATOM 299 C CA . LYS A 1 38 ? -45.105 -28.104 13.373 1.00 30.96 ? 38 LYS A CA 1 ATOM 300 C C . LYS A 1 38 ? -46.155 -27.160 12.794 1.00 28.40 ? 38 LYS A C 1 ATOM 301 O O . LYS A 1 38 ? -46.748 -26.370 13.527 1.00 31.49 ? 38 LYS A O 1 ATOM 302 C CB . LYS A 1 38 ? -43.881 -27.301 13.825 1.00 33.35 ? 38 LYS A CB 1 ATOM 303 C CG . LYS A 1 38 ? -42.788 -28.144 14.458 1.00 40.16 ? 38 LYS A CG 1 ATOM 304 C CD . LYS A 1 38 ? -41.625 -27.285 14.930 1.00 44.60 ? 38 LYS A CD 1 ATOM 305 C CE . LYS A 1 38 ? -42.067 -26.283 15.986 1.00 51.50 ? 38 LYS A CE 1 ATOM 306 N NZ . LYS A 1 38 ? -40.922 -25.491 16.520 1.00 55.17 ? 38 LYS A NZ 1 ATOM 307 N N . LYS A 1 39 ? -46.374 -27.251 11.483 1.00 27.21 ? 39 LYS A N 1 ATOM 308 C CA . LYS A 1 39 ? -47.282 -26.353 10.770 1.00 23.84 ? 39 LYS A CA 1 ATOM 309 C C . LYS A 1 39 ? -46.871 -24.904 10.989 1.00 23.65 ? 39 LYS A C 1 ATOM 310 O O . LYS A 1 39 ? -47.681 -24.062 11.366 1.00 26.94 ? 39 LYS A O 1 ATOM 311 C CB . LYS A 1 39 ? -48.738 -26.592 11.188 1.00 29.72 ? 39 LYS A CB 1 ATOM 312 C CG . LYS A 1 39 ? -49.155 -28.046 11.072 1.00 37.45 ? 39 LYS A CG 1 ATOM 313 C CD . LYS A 1 39 ? -50.551 -28.286 11.618 1.00 45.40 ? 39 LYS A CD 1 ATOM 314 C CE . LYS A 1 39 ? -50.877 -29.772 11.626 1.00 49.88 ? 39 LYS A CE 1 ATOM 315 N NZ . LYS A 1 39 ? -52.250 -30.040 12.138 1.00 54.24 ? 39 LYS A NZ 1 ATOM 316 N N . GLU A 1 40 ? -45.591 -24.630 10.757 1.00 22.56 ? 40 GLU A N 1 ATOM 317 C CA . GLU A 1 40 ? -45.045 -23.293 10.940 1.00 23.37 ? 40 GLU A CA 1 ATOM 318 C C . GLU A 1 40 ? -44.306 -22.828 9.695 1.00 20.64 ? 40 GLU A C 1 ATOM 319 O O . GLU A 1 40 ? -43.620 -23.611 9.037 1.00 18.36 ? 40 GLU A O 1 ATOM 320 C CB . GLU A 1 40 ? -44.083 -23.264 12.128 1.00 26.21 ? 40 GLU A CB 1 ATOM 321 C CG . GLU A 1 40 ? -44.746 -23.408 13.482 1.00 37.13 ? 40 GLU A CG 1 ATOM 322 C CD . GLU A 1 40 ? -43.739 -23.385 14.615 1.00 45.91 ? 40 GLU A CD 1 ATOM 323 O OE1 . GLU A 1 40 ? -42.523 -23.442 14.324 1.00 47.78 ? 40 GLU A OE1 1 ATOM 324 O OE2 . GLU A 1 40 ? -44.160 -23.310 15.789 1.00 52.70 ? 40 GLU A OE2 1 ATOM 325 N N . THR A 1 41 ? -44.442 -21.544 9.389 1.00 19.08 ? 41 THR A N 1 ATOM 326 C CA . THR A 1 41 ? -43.683 -20.927 8.314 1.00 16.05 ? 41 THR A CA 1 ATOM 327 C C . THR A 1 41 ? -42.283 -20.593 8.806 1.00 19.31 ? 41 THR A C 1 ATOM 328 O O . THR A 1 41 ? -42.128 -19.920 9.824 1.00 20.19 ? 41 THR A O 1 ATOM 329 C CB . THR A 1 41 ? -44.362 -19.633 7.847 1.00 19.34 ? 41 THR A CB 1 ATOM 330 O OG1 . THR A 1 41 ? -45.642 -19.950 7.286 1.00 20.71 ? 41 THR A OG1 1 ATOM 331 C CG2 . THR A 1 41 ? -43.500 -18.911 6.807 1.00 17.20 ? 41 THR A CG2 1 ATOM 332 N N . VAL A 1 42 ? -41.271 -21.067 8.084 1.00 15.77 ? 42 VAL A N 1 ATOM 333 C CA . VAL A 1 42 ? -39.878 -20.827 8.450 1.00 15.44 ? 42 VAL A CA 1 ATOM 334 C C . VAL A 1 42 ? -39.203 -19.951 7.399 1.00 17.42 ? 42 VAL A C 1 ATOM 335 O O . VAL A 1 42 ? -38.862 -20.423 6.311 1.00 14.11 ? 42 VAL A O 1 ATOM 336 C CB . VAL A 1 42 ? -39.091 -22.149 8.576 1.00 14.80 ? 42 VAL A CB 1 ATOM 337 C CG1 . VAL A 1 42 ? -37.662 -21.878 9.061 1.00 15.71 ? 42 VAL A CG1 1 ATOM 338 C CG2 . VAL A 1 42 ? -39.805 -23.107 9.513 1.00 15.55 ? 42 VAL A CG2 1 ATOM 339 N N . TRP A 1 43 ? -39.023 -18.674 7.724 1.00 16.62 ? 43 TRP A N 1 ATOM 340 C CA . TRP A 1 43 ? -38.399 -17.732 6.803 1.00 13.96 ? 43 TRP A CA 1 ATOM 341 C C . TRP A 1 43 ? -36.898 -17.985 6.756 1.00 12.96 ? 43 TRP A C 1 ATOM 342 O O . TRP A 1 43 ? -36.273 -18.235 7.782 1.00 14.55 ? 43 TRP A O 1 ATOM 343 C CB . TRP A 1 43 ? -38.694 -16.286 7.223 1.00 16.74 ? 43 TRP A CB 1 ATOM 344 C CG . TRP A 1 43 ? -40.166 -15.985 7.225 1.00 20.59 ? 43 TRP A CG 1 ATOM 345 C CD1 . TRP A 1 43 ? -41.011 -16.028 8.297 1.00 19.81 ? 43 TRP A CD1 1 ATOM 346 C CD2 . TRP A 1 43 ? -40.968 -15.613 6.096 1.00 19.64 ? 43 TRP A CD2 1 ATOM 347 N NE1 . TRP A 1 43 ? -42.291 -15.702 7.903 1.00 19.70 ? 43 TRP A NE1 1 ATOM 348 C CE2 . TRP A 1 43 ? -42.289 -15.445 6.558 1.00 19.90 ? 43 TRP A CE2 1 ATOM 349 C CE3 . TRP A 1 43 ? -40.696 -15.411 4.737 1.00 18.25 ? 43 TRP A CE3 1 ATOM 350 C CZ2 . TRP A 1 43 ? -43.338 -15.084 5.709 1.00 19.64 ? 43 TRP A CZ2 1 ATOM 351 C CZ3 . TRP A 1 43 ? -41.738 -15.042 3.898 1.00 16.45 ? 43 TRP A CZ3 1 ATOM 352 C CH2 . TRP A 1 43 ? -43.043 -14.881 4.389 1.00 16.71 ? 43 TRP A CH2 1 ATOM 353 N N . ARG A 1 44 ? -36.326 -17.941 5.560 1.00 12.06 ? 44 ARG A N 1 ATOM 354 C CA . ARG A 1 44 ? -34.902 -18.243 5.402 1.00 12.86 ? 44 ARG A CA 1 ATOM 355 C C . ARG A 1 44 ? -34.002 -17.234 6.109 1.00 16.70 ? 44 ARG A C 1 ATOM 356 O O . ARG A 1 44 ? -32.997 -17.605 6.727 1.00 16.89 ? 44 ARG A O 1 ATOM 357 C CB . ARG A 1 44 ? -34.545 -18.334 3.922 1.00 11.59 ? 44 ARG A CB 1 ATOM 358 C CG . ARG A 1 44 ? -33.094 -18.712 3.665 1.00 13.51 ? 44 ARG A CG 1 ATOM 359 C CD . ARG A 1 44 ? -32.770 -20.080 4.247 1.00 12.34 ? 44 ARG A CD 1 ATOM 360 N NE . ARG A 1 44 ? -31.375 -20.460 4.042 1.00 14.73 ? 44 ARG A NE 1 ATOM 361 C CZ . ARG A 1 44 ? -30.381 -20.149 4.867 1.00 16.26 ? 44 ARG A CZ 1 ATOM 362 N NH1 . ARG A 1 44 ? -30.614 -19.432 5.962 1.00 17.17 ? 44 ARG A NH1 1 ATOM 363 N NH2 . ARG A 1 44 ? -29.141 -20.553 4.600 1.00 19.18 ? 44 ARG A NH2 1 ATOM 364 N N . LEU A 1 45 ? -34.351 -15.955 5.993 1.00 15.92 ? 45 LEU A N 1 ATOM 365 C CA . LEU A 1 45 ? -33.732 -14.916 6.795 1.00 20.49 ? 45 LEU A CA 1 ATOM 366 C C . LEU A 1 45 ? -34.803 -14.376 7.730 1.00 21.04 ? 45 LEU A C 1 ATOM 367 O O . LEU A 1 45 ? -35.933 -14.119 7.316 1.00 19.15 ? 45 LEU A O 1 ATOM 368 C CB . LEU A 1 45 ? -33.158 -13.793 5.926 1.00 18.97 ? 45 LEU A CB 1 ATOM 369 C CG . LEU A 1 45 ? -32.037 -14.164 4.949 1.00 23.43 ? 45 LEU A CG 1 ATOM 370 C CD1 . LEU A 1 45 ? -31.490 -12.915 4.273 1.00 24.21 ? 45 LEU A CD1 1 ATOM 371 C CD2 . LEU A 1 45 ? -30.918 -14.928 5.649 1.00 22.85 ? 45 LEU A CD2 1 ATOM 372 N N . GLU A 1 46 ? -34.436 -14.238 8.996 1.00 24.96 ? 46 GLU A N 1 ATOM 373 C CA . GLU A 1 46 ? -35.350 -13.797 10.045 1.00 28.93 ? 46 GLU A CA 1 ATOM 374 C C . GLU A 1 46 ? -36.079 -12.492 9.705 1.00 30.48 ? 46 GLU A C 1 ATOM 375 O O . GLU A 1 46 ? -37.262 -12.337 10.018 1.00 30.03 ? 46 GLU A O 1 ATOM 376 C CB . GLU A 1 46 ? -34.604 -13.688 11.386 1.00 41.85 ? 46 GLU A CB 1 ATOM 377 C CG . GLU A 1 46 ? -33.201 -13.047 11.322 1.00 56.93 ? 46 GLU A CG 1 ATOM 378 C CD . GLU A 1 46 ? -32.138 -13.924 10.641 1.00 62.46 ? 46 GLU A CD 1 ATOM 379 O OE1 . GLU A 1 46 ? -31.090 -13.381 10.227 1.00 65.13 ? 46 GLU A OE1 1 ATOM 380 O OE2 . GLU A 1 46 ? -32.355 -15.150 10.506 1.00 57.34 ? 46 GLU A OE2 1 ATOM 381 N N . GLU A 1 47 ? -35.384 -11.578 9.034 1.00 28.61 ? 47 GLU A N 1 ATOM 382 C CA A GLU A 1 47 ? -35.944 -10.284 8.651 0.51 30.49 ? 47 GLU A CA 1 ATOM 383 C CA B GLU A 1 47 ? -35.970 -10.287 8.686 0.49 30.38 ? 47 GLU A CA 1 ATOM 384 C C . GLU A 1 47 ? -37.169 -10.415 7.747 1.00 27.59 ? 47 GLU A C 1 ATOM 385 O O . GLU A 1 47 ? -38.054 -9.558 7.756 1.00 29.26 ? 47 GLU A O 1 ATOM 386 C CB A GLU A 1 47 ? -34.882 -9.437 7.941 0.51 31.80 ? 47 GLU A CB 1 ATOM 387 C CB B GLU A 1 47 ? -34.929 -9.351 8.063 0.49 31.48 ? 47 GLU A CB 1 ATOM 388 C CG A GLU A 1 47 ? -34.313 -10.095 6.685 0.51 30.30 ? 47 GLU A CG 1 ATOM 389 C CG B GLU A 1 47 ? -33.589 -9.334 8.768 0.49 35.43 ? 47 GLU A CG 1 ATOM 390 C CD A GLU A 1 47 ? -33.589 -9.120 5.775 0.51 32.17 ? 47 GLU A CD 1 ATOM 391 C CD B GLU A 1 47 ? -32.622 -10.350 8.194 0.49 32.85 ? 47 GLU A CD 1 ATOM 392 O OE1 A GLU A 1 47 ? -32.431 -8.765 6.084 0.51 36.99 ? 47 GLU A OE1 1 ATOM 393 O OE1 B GLU A 1 47 ? -32.517 -11.454 8.761 0.49 27.23 ? 47 GLU A OE1 1 ATOM 394 O OE2 A GLU A 1 47 ? -34.176 -8.713 4.747 0.51 23.90 ? 47 GLU A OE2 1 ATOM 395 O OE2 B GLU A 1 47 ? -31.969 -10.042 7.174 0.49 33.91 ? 47 GLU A OE2 1 ATOM 396 N N . PHE A 1 48 ? -37.201 -11.481 6.949 1.00 19.63 ? 48 PHE A N 1 ATOM 397 C CA . PHE A 1 48 ? -38.273 -11.685 5.977 1.00 19.11 ? 48 PHE A CA 1 ATOM 398 C C . PHE A 1 48 ? -39.647 -11.707 6.647 1.00 21.56 ? 48 PHE A C 1 ATOM 399 O O . PHE A 1 48 ? -40.622 -11.199 6.095 1.00 24.92 ? 48 PHE A O 1 ATOM 400 C CB . PHE A 1 48 ? -38.077 -12.992 5.205 1.00 16.27 ? 48 PHE A CB 1 ATOM 401 C CG . PHE A 1 48 ? -36.897 -12.988 4.267 1.00 17.43 ? 48 PHE A CG 1 ATOM 402 C CD1 . PHE A 1 48 ? -36.552 -14.142 3.584 1.00 12.99 ? 48 PHE A CD1 1 ATOM 403 C CD2 . PHE A 1 48 ? -36.142 -11.841 4.065 1.00 20.64 ? 48 PHE A CD2 1 ATOM 404 C CE1 . PHE A 1 48 ? -35.474 -14.163 2.712 1.00 16.93 ? 48 PHE A CE1 1 ATOM 405 C CE2 . PHE A 1 48 ? -35.060 -11.848 3.196 1.00 22.06 ? 48 PHE A CE2 1 ATOM 406 C CZ . PHE A 1 48 ? -34.725 -13.013 2.519 1.00 19.83 ? 48 PHE A CZ 1 ATOM 407 N N . GLY A 1 49 ? -39.711 -12.299 7.836 1.00 22.90 ? 49 GLY A N 1 ATOM 408 C CA . GLY A 1 49 ? -40.970 -12.496 8.536 1.00 23.91 ? 49 GLY A CA 1 ATOM 409 C C . GLY A 1 49 ? -41.526 -11.238 9.172 1.00 26.64 ? 49 GLY A C 1 ATOM 410 O O . GLY A 1 49 ? -42.665 -11.217 9.636 1.00 26.74 ? 49 GLY A O 1 ATOM 411 N N . ARG A 1 50 ? -40.719 -10.185 9.206 1.00 27.20 ? 50 ARG A N 1 ATOM 412 C CA . ARG A 1 50 ? -41.181 -8.909 9.732 1.00 29.31 ? 50 ARG A CA 1 ATOM 413 C C . ARG A 1 50 ? -41.890 -8.111 8.642 1.00 31.45 ? 50 ARG A C 1 ATOM 414 O O . ARG A 1 50 ? -42.570 -7.124 8.921 1.00 35.05 ? 50 ARG A O 1 ATOM 415 C CB . ARG A 1 50 ? -40.008 -8.115 10.320 1.00 32.84 ? 50 ARG A CB 1 ATOM 416 C CG . ARG A 1 50 ? -39.383 -8.781 11.540 1.00 40.70 ? 50 ARG A CG 1 ATOM 417 C CD . ARG A 1 50 ? -38.343 -7.896 12.221 1.00 47.77 ? 50 ARG A CD 1 ATOM 418 N NE . ARG A 1 50 ? -37.174 -7.657 11.377 1.00 51.48 ? 50 ARG A NE 1 ATOM 419 C CZ . ARG A 1 50 ? -36.893 -6.492 10.801 1.00 57.52 ? 50 ARG A CZ 1 ATOM 420 N NH1 . ARG A 1 50 ? -37.692 -5.449 10.984 1.00 60.72 ? 50 ARG A NH1 1 ATOM 421 N NH2 . ARG A 1 50 ? -35.807 -6.368 10.049 1.00 58.55 ? 50 ARG A NH2 1 ATOM 422 N N . PHE A 1 51 ? -41.745 -8.564 7.402 1.00 31.07 ? 51 PHE A N 1 ATOM 423 C CA . PHE A 1 51 ? -42.251 -7.835 6.244 1.00 33.49 ? 51 PHE A CA 1 ATOM 424 C C . PHE A 1 51 ? -43.403 -8.561 5.554 1.00 29.23 ? 51 PHE A C 1 ATOM 425 O O . PHE A 1 51 ? -44.183 -7.957 4.821 1.00 32.15 ? 51 PHE A O 1 ATOM 426 C CB . PHE A 1 51 ? -41.117 -7.623 5.240 1.00 32.88 ? 51 PHE A CB 1 ATOM 427 C CG . PHE A 1 51 ? -39.905 -6.960 5.830 1.00 40.40 ? 51 PHE A CG 1 ATOM 428 C CD1 . PHE A 1 51 ? -38.634 -7.429 5.541 1.00 39.54 ? 51 PHE A CD1 1 ATOM 429 C CD2 . PHE A 1 51 ? -40.038 -5.867 6.674 1.00 44.84 ? 51 PHE A CD2 1 ATOM 430 C CE1 . PHE A 1 51 ? -37.514 -6.823 6.082 1.00 43.53 ? 51 PHE A CE1 1 ATOM 431 C CE2 . PHE A 1 51 ? -38.922 -5.254 7.220 1.00 46.59 ? 51 PHE A CE2 1 ATOM 432 C CZ . PHE A 1 51 ? -37.659 -5.733 6.924 1.00 46.67 ? 51 PHE A CZ 1 ATOM 433 N N . ALA A 1 52 ? -43.498 -9.864 5.779 1.00 26.89 ? 52 ALA A N 1 ATOM 434 C CA . ALA A 1 52 ? -44.494 -10.670 5.089 1.00 22.96 ? 52 ALA A CA 1 ATOM 435 C C . ALA A 1 52 ? -44.977 -11.789 5.990 1.00 24.26 ? 52 ALA A C 1 ATOM 436 O O . ALA A 1 52 ? -44.344 -12.096 6.998 1.00 23.24 ? 52 ALA A O 1 ATOM 437 C CB . ALA A 1 52 ? -43.902 -11.246 3.814 1.00 20.07 ? 52 ALA A CB 1 ATOM 438 N N . SER A 1 53 ? -46.098 -12.401 5.628 1.00 21.30 ? 53 SER A N 1 ATOM 439 C CA . SER A 1 53 ? -46.580 -13.561 6.359 1.00 21.47 ? 53 SER A CA 1 ATOM 440 C C . SER A 1 53 ? -47.034 -14.644 5.393 1.00 22.43 ? 53 SER A C 1 ATOM 441 O O . SER A 1 53 ? -47.275 -14.381 4.216 1.00 19.87 ? 53 SER A O 1 ATOM 442 C CB . SER A 1 53 ? -47.732 -13.179 7.287 1.00 23.27 ? 53 SER A CB 1 ATOM 443 O OG . SER A 1 53 ? -48.852 -12.742 6.541 1.00 27.28 ? 53 SER A OG 1 ATOM 444 N N . PHE A 1 54 ? -47.137 -15.866 5.901 1.00 23.08 ? 54 PHE A N 1 ATOM 445 C CA . PHE A 1 54 ? -47.727 -16.959 5.144 1.00 20.28 ? 54 PHE A CA 1 ATOM 446 C C . PHE A 1 54 ? -48.433 -17.922 6.086 1.00 20.84 ? 54 PHE A C 1 ATOM 447 O O . PHE A 1 54 ? -47.864 -18.350 7.091 1.00 22.65 ? 54 PHE A O 1 ATOM 448 C CB . PHE A 1 54 ? -46.677 -17.706 4.321 1.00 16.75 ? 54 PHE A CB 1 ATOM 449 C CG . PHE A 1 54 ? -47.249 -18.849 3.532 1.00 17.98 ? 54 PHE A CG 1 ATOM 450 C CD1 . PHE A 1 54 ? -47.929 -18.612 2.349 1.00 18.56 ? 54 PHE A CD1 1 ATOM 451 C CD2 . PHE A 1 54 ? -47.126 -20.158 3.980 1.00 16.66 ? 54 PHE A CD2 1 ATOM 452 C CE1 . PHE A 1 54 ? -48.470 -19.659 1.617 1.00 20.03 ? 54 PHE A CE1 1 ATOM 453 C CE2 . PHE A 1 54 ? -47.665 -21.209 3.253 1.00 19.21 ? 54 PHE A CE2 1 ATOM 454 C CZ . PHE A 1 54 ? -48.338 -20.957 2.069 1.00 18.13 ? 54 PHE A CZ 1 ATOM 455 N N . GLU A 1 55 ? -49.676 -18.253 5.761 1.00 19.64 ? 55 GLU A N 1 ATOM 456 C CA . GLU A 1 55 ? -50.445 -19.186 6.569 1.00 25.56 ? 55 GLU A CA 1 ATOM 457 C C . GLU A 1 55 ? -49.975 -20.603 6.287 1.00 23.67 ? 55 GLU A C 1 ATOM 458 O O . GLU A 1 55 ? -50.325 -21.184 5.258 1.00 22.84 ? 55 GLU A O 1 ATOM 459 C CB . GLU A 1 55 ? -51.937 -19.059 6.265 1.00 31.11 ? 55 GLU A CB 1 ATOM 460 C CG . GLU A 1 55 ? -52.821 -19.948 7.124 1.00 40.30 ? 55 GLU A CG 1 ATOM 461 C CD . GLU A 1 55 ? -52.848 -19.520 8.581 1.00 50.04 ? 55 GLU A CD 1 ATOM 462 O OE1 . GLU A 1 55 ? -52.469 -18.364 8.877 1.00 51.99 ? 55 GLU A OE1 1 ATOM 463 O OE2 . GLU A 1 55 ? -53.253 -20.341 9.431 1.00 55.78 ? 55 GLU A OE2 1 ATOM 464 N N . ALA A 1 56 ? -49.187 -21.148 7.210 1.00 20.75 ? 56 ALA A N 1 ATOM 465 C CA . ALA A 1 56 ? -48.564 -22.460 7.045 1.00 17.78 ? 56 ALA A CA 1 ATOM 466 C C . ALA A 1 56 ? -49.583 -23.565 6.797 1.00 17.41 ? 56 ALA A C 1 ATOM 467 O O . ALA A 1 56 ? -49.350 -24.464 5.986 1.00 19.46 ? 56 ALA A O 1 ATOM 468 C CB . ALA A 1 56 ? -47.717 -22.793 8.264 1.00 20.72 ? 56 ALA A CB 1 ATOM 469 N N . GLN A 1 57 ? -50.708 -23.479 7.508 1.00 23.02 ? 57 GLN A N 1 ATOM 470 C CA . GLN A 1 57 ? -51.802 -24.440 7.409 1.00 27.74 ? 57 GLN A CA 1 ATOM 471 C C . GLN A 1 57 ? -52.170 -24.756 5.967 1.00 24.66 ? 57 GLN A C 1 ATOM 472 O O . GLN A 1 57 ? -52.440 -25.907 5.619 1.00 27.15 ? 57 GLN A O 1 ATOM 473 C CB . GLN A 1 57 ? -53.029 -23.893 8.143 1.00 35.68 ? 57 GLN A CB 1 ATOM 474 C CG . GLN A 1 57 ? -54.312 -24.671 7.905 1.00 44.73 ? 57 GLN A CG 1 ATOM 475 C CD . GLN A 1 57 ? -54.423 -25.895 8.786 1.00 50.07 ? 57 GLN A CD 1 ATOM 476 O OE1 . GLN A 1 57 ? -53.727 -26.889 8.581 1.00 48.17 ? 57 GLN A OE1 1 ATOM 477 N NE2 . GLN A 1 57 ? -55.302 -25.827 9.780 1.00 54.79 ? 57 GLN A NE2 1 ATOM 478 N N . GLY A 1 58 ? -52.161 -23.728 5.126 1.00 22.63 ? 58 GLY A N 1 ATOM 479 C CA . GLY A 1 58 ? -52.523 -23.877 3.731 1.00 22.92 ? 58 GLY A CA 1 ATOM 480 C C . GLY A 1 58 ? -51.678 -24.863 2.948 1.00 25.42 ? 58 GLY A C 1 ATOM 481 O O . GLY A 1 58 ? -52.170 -25.502 2.017 1.00 28.25 ? 58 GLY A O 1 ATOM 482 N N . ALA A 1 59 ? -50.405 -24.990 3.315 1.00 21.09 ? 59 ALA A N 1 ATOM 483 C CA . ALA A 1 59 ? -49.493 -25.858 2.576 1.00 19.68 ? 59 ALA A CA 1 ATOM 484 C C . ALA A 1 59 ? -49.847 -27.338 2.721 1.00 17.66 ? 59 ALA A C 1 ATOM 485 O O . ALA A 1 59 ? -49.579 -28.138 1.830 1.00 18.04 ? 59 ALA A O 1 ATOM 486 C CB . ALA A 1 59 ? -48.054 -25.609 3.004 1.00 19.79 ? 59 ALA A CB 1 ATOM 487 N N . LEU A 1 60 ? -50.453 -27.701 3.841 1.00 22.37 ? 60 LEU A N 1 ATOM 488 C CA . LEU A 1 60 ? -50.781 -29.101 4.089 1.00 22.48 ? 60 LEU A CA 1 ATOM 489 C C . LEU A 1 60 ? -51.759 -29.638 3.045 1.00 18.47 ? 60 LEU A C 1 ATOM 490 O O . LEU A 1 60 ? -51.640 -30.784 2.605 1.00 17.17 ? 60 LEU A O 1 ATOM 491 C CB . LEU A 1 60 ? -51.322 -29.294 5.511 1.00 23.55 ? 60 LEU A CB 1 ATOM 492 C CG . LEU A 1 60 ? -50.258 -29.430 6.612 1.00 30.67 ? 60 LEU A CG 1 ATOM 493 C CD1 . LEU A 1 60 ? -49.448 -28.150 6.807 1.00 30.75 ? 60 LEU A CD1 1 ATOM 494 C CD2 . LEU A 1 60 ? -50.886 -29.862 7.925 1.00 37.05 ? 60 LEU A CD2 1 ATOM 495 N N . ALA A 1 61 ? -52.704 -28.797 2.633 1.00 15.90 ? 61 ALA A N 1 ATOM 496 C CA . ALA A 1 61 ? -53.677 -29.179 1.612 1.00 17.30 ? 61 ALA A CA 1 ATOM 497 C C . ALA A 1 61 ? -53.005 -29.525 0.282 1.00 16.02 ? 61 ALA A C 1 ATOM 498 O O . ALA A 1 61 ? -53.357 -30.525 -0.353 1.00 17.07 ? 61 ALA A O 1 ATOM 499 C CB . ALA A 1 61 ? -54.701 -28.069 1.414 1.00 19.83 ? 61 ALA A CB 1 ATOM 500 N N . ASN A 1 62 ? -52.053 -28.694 -0.139 1.00 15.70 ? 62 ASN A N 1 ATOM 501 C CA . ASN A 1 62 ? -51.309 -28.939 -1.372 1.00 12.15 ? 62 ASN A CA 1 ATOM 502 C C . ASN A 1 62 ? -50.565 -30.264 -1.334 1.00 12.54 ? 62 ASN A C 1 ATOM 503 O O . ASN A 1 62 ? -50.611 -31.043 -2.285 1.00 12.36 ? 62 ASN A O 1 ATOM 504 C CB . ASN A 1 62 ? -50.310 -27.809 -1.661 1.00 12.05 ? 62 ASN A CB 1 ATOM 505 C CG . ASN A 1 62 ? -50.974 -26.559 -2.187 1.00 16.69 ? 62 ASN A CG 1 ATOM 506 O OD1 . ASN A 1 62 ? -51.978 -26.097 -1.645 1.00 24.11 ? 62 ASN A OD1 1 ATOM 507 N ND2 . ASN A 1 62 ? -50.426 -26.011 -3.266 1.00 12.10 ? 62 ASN A ND2 1 ATOM 508 N N . ILE A 1 63 ? -49.869 -30.510 -0.230 1.00 13.35 ? 63 ILE A N 1 ATOM 509 C CA . ILE A 1 63 ? -49.101 -31.737 -0.081 1.00 14.13 ? 63 ILE A CA 1 ATOM 510 C C . ILE A 1 63 ? -50.023 -32.954 -0.142 1.00 12.06 ? 63 ILE A C 1 ATOM 511 O O . ILE A 1 63 ? -49.679 -33.967 -0.750 1.00 12.41 ? 63 ILE A O 1 ATOM 512 C CB . ILE A 1 63 ? -48.274 -31.731 1.214 1.00 17.55 ? 63 ILE A CB 1 ATOM 513 C CG1 . ILE A 1 63 ? -47.275 -30.575 1.177 1.00 22.05 ? 63 ILE A CG1 1 ATOM 514 C CG2 . ILE A 1 63 ? -47.575 -33.071 1.425 1.00 17.62 ? 63 ILE A CG2 1 ATOM 515 C CD1 . ILE A 1 63 ? -46.427 -30.520 -0.081 1.00 21.72 ? 63 ILE A CD1 1 ATOM 516 N N . ALA A 1 64 ? -51.208 -32.838 0.452 1.00 14.85 ? 64 ALA A N 1 ATOM 517 C CA . ALA A 1 64 ? -52.175 -33.931 0.413 1.00 16.03 ? 64 ALA A CA 1 ATOM 518 C C . ALA A 1 64 ? -52.616 -34.227 -1.021 1.00 16.74 ? 64 ALA A C 1 ATOM 519 O O . ALA A 1 64 ? -52.792 -35.388 -1.398 1.00 15.63 ? 64 ALA A O 1 ATOM 520 C CB . ALA A 1 64 ? -53.378 -33.625 1.298 1.00 18.00 ? 64 ALA A CB 1 ATOM 521 N N . VAL A 1 65 ? -52.790 -33.178 -1.821 1.00 13.36 ? 65 VAL A N 1 ATOM 522 C CA . VAL A 1 65 ? -53.111 -33.357 -3.235 1.00 14.22 ? 65 VAL A CA 1 ATOM 523 C C . VAL A 1 65 ? -51.936 -34.008 -3.966 1.00 11.80 ? 65 VAL A C 1 ATOM 524 O O . VAL A 1 65 ? -52.124 -34.905 -4.790 1.00 11.73 ? 65 VAL A O 1 ATOM 525 C CB . VAL A 1 65 ? -53.483 -32.026 -3.925 1.00 15.95 ? 65 VAL A CB 1 ATOM 526 C CG1 . VAL A 1 65 ? -53.611 -32.222 -5.431 1.00 18.21 ? 65 VAL A CG1 1 ATOM 527 C CG2 . VAL A 1 65 ? -54.774 -31.467 -3.358 1.00 16.04 ? 65 VAL A CG2 1 ATOM 528 N N . ASP A 1 66 ? -50.723 -33.575 -3.641 1.00 9.11 ? 66 ASP A N 1 ATOM 529 C CA . ASP A 1 66 ? -49.526 -34.114 -4.287 1.00 8.42 ? 66 ASP A CA 1 ATOM 530 C C . ASP A 1 66 ? -49.360 -35.596 -3.971 1.00 10.17 ? 66 ASP A C 1 ATOM 531 O O . ASP A 1 66 ? -48.934 -36.376 -4.824 1.00 13.00 ? 66 ASP A O 1 ATOM 532 C CB . ASP A 1 66 ? -48.272 -33.360 -3.843 1.00 9.46 ? 66 ASP A CB 1 ATOM 533 C CG . ASP A 1 66 ? -48.289 -31.898 -4.232 1.00 11.40 ? 66 ASP A CG 1 ATOM 534 O OD1 . ASP A 1 66 ? -48.967 -31.517 -5.210 1.00 11.67 ? 66 ASP A OD1 1 ATOM 535 O OD2 . ASP A 1 66 ? -47.600 -31.122 -3.539 1.00 14.25 ? 66 ASP A OD2 1 ATOM 536 N N . LYS A 1 67 ? -49.709 -35.980 -2.745 1.00 11.64 ? 67 LYS A N 1 ATOM 537 C CA . LYS A 1 67 ? -49.691 -37.385 -2.347 1.00 12.50 ? 67 LYS A CA 1 ATOM 538 C C . LYS A 1 67 ? -50.687 -38.183 -3.188 1.00 13.28 ? 67 LYS A C 1 ATOM 539 O O . LYS A 1 67 ? -50.363 -39.256 -3.702 1.00 11.40 ? 67 LYS A O 1 ATOM 540 C CB . LYS A 1 67 ? -50.017 -37.522 -0.858 1.00 13.82 ? 67 LYS A CB 1 ATOM 541 C CG . LYS A 1 67 ? -50.144 -38.959 -0.362 1.00 15.84 ? 67 LYS A CG 1 ATOM 542 C CD . LYS A 1 67 ? -50.375 -38.987 1.145 1.00 21.34 ? 67 LYS A CD 1 ATOM 543 C CE . LYS A 1 67 ? -50.347 -40.405 1.703 1.00 28.17 ? 67 LYS A CE 1 ATOM 544 N NZ . LYS A 1 67 ? -51.522 -41.214 1.270 1.00 37.49 ? 67 LYS A NZ 1 ATOM 545 N N . ALA A 1 68 ? -51.898 -37.651 -3.330 1.00 12.12 ? 68 ALA A N 1 ATOM 546 C CA . ALA A 1 68 ? -52.931 -38.319 -4.111 1.00 12.26 ? 68 ALA A CA 1 ATOM 547 C C . ALA A 1 68 ? -52.519 -38.403 -5.572 1.00 12.21 ? 68 ALA A C 1 ATOM 548 O O . ALA A 1 68 ? -52.727 -39.422 -6.227 1.00 14.62 ? 68 ALA A O 1 ATOM 549 C CB . ALA A 1 68 ? -54.264 -37.596 -3.971 1.00 15.47 ? 68 ALA A CB 1 ATOM 550 N N . ASN A 1 69 ? -51.924 -37.328 -6.078 1.00 11.59 ? 69 ASN A N 1 ATOM 551 C CA . ASN A 1 69 ? -51.466 -37.312 -7.458 1.00 12.99 ? 69 ASN A CA 1 ATOM 552 C C . ASN A 1 69 ? -50.317 -38.285 -7.688 1.00 13.24 ? 69 ASN A C 1 ATOM 553 O O . ASN A 1 69 ? -50.238 -38.914 -8.744 1.00 12.90 ? 69 ASN A O 1 ATOM 554 C CB . ASN A 1 69 ? -51.071 -35.898 -7.898 1.00 12.15 ? 69 ASN A CB 1 ATOM 555 C CG . ASN A 1 69 ? -52.278 -35.010 -8.152 1.00 12.17 ? 69 ASN A CG 1 ATOM 556 O OD1 . ASN A 1 69 ? -53.421 -35.480 -8.161 1.00 17.15 ? 69 ASN A OD1 1 ATOM 557 N ND2 . ASN A 1 69 ? -52.028 -33.722 -8.379 1.00 11.04 ? 69 ASN A ND2 1 ATOM 558 N N . LEU A 1 70 ? -49.428 -38.407 -6.705 1.00 9.76 ? 70 LEU A N 1 ATOM 559 C CA . LEU A 1 70 ? -48.329 -39.361 -6.814 1.00 9.85 ? 70 LEU A CA 1 ATOM 560 C C . LEU A 1 70 ? -48.864 -40.782 -6.974 1.00 12.85 ? 70 LEU A C 1 ATOM 561 O O . LEU A 1 70 ? -48.336 -41.554 -7.776 1.00 14.45 ? 70 LEU A O 1 ATOM 562 C CB . LEU A 1 70 ? -47.382 -39.273 -5.610 1.00 10.50 ? 70 LEU A CB 1 ATOM 563 C CG . LEU A 1 70 ? -46.237 -40.298 -5.619 1.00 12.19 ? 70 LEU A CG 1 ATOM 564 C CD1 . LEU A 1 70 ? -45.386 -40.178 -6.893 1.00 9.92 ? 70 LEU A CD1 1 ATOM 565 C CD2 . LEU A 1 70 ? -45.368 -40.175 -4.361 1.00 12.84 ? 70 LEU A CD2 1 ATOM 566 N N . GLU A 1 71 ? -49.913 -41.129 -6.229 1.00 11.42 ? 71 GLU A N 1 ATOM 567 C CA A GLU A 1 71 ? -50.489 -42.460 -6.346 0.45 15.15 ? 71 GLU A CA 1 ATOM 568 C CA B GLU A 1 71 ? -50.527 -42.452 -6.339 0.55 15.05 ? 71 GLU A CA 1 ATOM 569 C C . GLU A 1 71 ? -51.038 -42.680 -7.757 1.00 16.75 ? 71 GLU A C 1 ATOM 570 O O . GLU A 1 71 ? -50.863 -43.753 -8.336 1.00 16.08 ? 71 GLU A O 1 ATOM 571 C CB A GLU A 1 71 ? -51.559 -42.704 -5.275 0.45 17.34 ? 71 GLU A CB 1 ATOM 572 C CB B GLU A 1 71 ? -51.682 -42.608 -5.345 0.55 15.95 ? 71 GLU A CB 1 ATOM 573 C CG A GLU A 1 71 ? -51.015 -43.332 -3.994 0.45 24.73 ? 71 GLU A CG 1 ATOM 574 C CG B GLU A 1 71 ? -52.511 -43.865 -5.573 0.55 20.00 ? 71 GLU A CG 1 ATOM 575 C CD A GLU A 1 71 ? -50.793 -42.332 -2.870 0.45 27.76 ? 71 GLU A CD 1 ATOM 576 C CD B GLU A 1 71 ? -53.763 -43.916 -4.718 0.55 30.46 ? 71 GLU A CD 1 ATOM 577 O OE1 A GLU A 1 71 ? -51.742 -42.095 -2.091 0.45 25.49 ? 71 GLU A OE1 1 ATOM 578 O OE1 B GLU A 1 71 ? -53.871 -43.120 -3.759 0.55 31.71 ? 71 GLU A OE1 1 ATOM 579 O OE2 A GLU A 1 71 ? -49.666 -41.798 -2.751 0.45 27.26 ? 71 GLU A OE2 1 ATOM 580 O OE2 B GLU A 1 71 ? -54.644 -44.754 -5.010 0.55 34.66 ? 71 GLU A OE2 1 ATOM 581 N N . ILE A 1 72 ? -51.675 -41.653 -8.310 1.00 11.90 ? 72 ILE A N 1 ATOM 582 C CA . ILE A 1 72 ? -52.209 -41.707 -9.667 1.00 12.36 ? 72 ILE A CA 1 ATOM 583 C C . ILE A 1 72 ? -51.098 -41.895 -10.701 1.00 15.03 ? 72 ILE A C 1 ATOM 584 O O . ILE A 1 72 ? -51.187 -42.767 -11.574 1.00 15.02 ? 72 ILE A O 1 ATOM 585 C CB . ILE A 1 72 ? -52.993 -40.422 -9.985 1.00 16.31 ? 72 ILE A CB 1 ATOM 586 C CG1 . ILE A 1 72 ? -54.301 -40.397 -9.186 1.00 20.11 ? 72 ILE A CG1 1 ATOM 587 C CG2 . ILE A 1 72 ? -53.270 -40.311 -11.472 1.00 19.97 ? 72 ILE A CG2 1 ATOM 588 C CD1 . ILE A 1 72 ? -55.017 -39.053 -9.237 1.00 22.37 ? 72 ILE A CD1 1 ATOM 589 N N . MET A 1 73 ? -50.044 -41.091 -10.580 1.00 13.04 ? 73 MET A N 1 ATOM 590 C CA . MET A 1 73 ? -48.950 -41.106 -11.547 1.00 13.12 ? 73 MET A CA 1 ATOM 591 C C . MET A 1 73 ? -48.111 -42.379 -11.445 1.00 12.55 ? 73 MET A C 1 ATOM 592 O O . MET A 1 73 ? -47.617 -42.890 -12.455 1.00 12.03 ? 73 MET A O 1 ATOM 593 C CB . MET A 1 73 ? -48.068 -39.859 -11.388 1.00 12.61 ? 73 MET A CB 1 ATOM 594 C CG . MET A 1 73 ? -48.824 -38.531 -11.564 1.00 12.31 ? 73 MET A CG 1 ATOM 595 S SD . MET A 1 73 ? -49.849 -38.470 -13.040 1.00 15.23 ? 73 MET A SD 1 ATOM 596 C CE . MET A 1 73 ? -48.625 -38.748 -14.318 1.00 12.70 ? 73 MET A CE 1 ATOM 597 N N . THR A 1 74 ? -47.953 -42.890 -10.225 1.00 12.22 ? 74 THR A N 1 ATOM 598 C CA . THR A 1 74 ? -47.226 -44.135 -10.020 1.00 11.72 ? 74 THR A CA 1 ATOM 599 C C . THR A 1 74 ? -47.902 -45.258 -10.813 1.00 14.05 ? 74 THR A C 1 ATOM 600 O O . THR A 1 74 ? -47.237 -45.997 -11.537 1.00 14.25 ? 74 THR A O 1 ATOM 601 C CB . THR A 1 74 ? -47.103 -44.494 -8.517 1.00 13.02 ? 74 THR A CB 1 ATOM 602 O OG1 . THR A 1 74 ? -46.362 -43.468 -7.841 1.00 11.74 ? 74 THR A OG1 1 ATOM 603 C CG2 . THR A 1 74 ? -46.390 -45.821 -8.330 1.00 14.19 ? 74 THR A CG2 1 ATOM 604 N N . LYS A 1 75 ? -49.227 -45.356 -10.706 1.00 13.89 ? 75 LYS A N 1 ATOM 605 C CA . LYS A 1 75 ? -49.992 -46.337 -11.478 1.00 17.99 ? 75 LYS A CA 1 ATOM 606 C C . LYS A 1 75 ? -49.907 -46.121 -12.991 1.00 15.49 ? 75 LYS A C 1 ATOM 607 O O . LYS A 1 75 ? -49.746 -47.080 -13.750 1.00 16.95 ? 75 LYS A O 1 ATOM 608 C CB . LYS A 1 75 ? -51.465 -46.338 -11.060 1.00 19.20 ? 75 LYS A CB 1 ATOM 609 C CG . LYS A 1 75 ? -51.722 -46.691 -9.614 1.00 21.51 ? 75 LYS A CG 1 ATOM 610 C CD . LYS A 1 75 ? -53.224 -46.714 -9.335 1.00 30.75 ? 75 LYS A CD 1 ATOM 611 C CE . LYS A 1 75 ? -53.521 -46.678 -7.842 1.00 44.28 ? 75 LYS A CE 1 ATOM 612 N NZ . LYS A 1 75 ? -54.989 -46.660 -7.559 1.00 48.02 ? 75 LYS A NZ 1 ATOM 613 N N . ARG A 1 76 ? -50.034 -44.873 -13.432 1.00 17.27 ? 76 ARG A N 1 ATOM 614 C CA . ARG A 1 76 ? -49.954 -44.557 -14.861 1.00 16.70 ? 76 ARG A CA 1 ATOM 615 C C . ARG A 1 76 ? -48.629 -45.008 -15.458 1.00 16.97 ? 76 ARG A C 1 ATOM 616 O O . ARG A 1 76 ? -48.575 -45.428 -16.614 1.00 17.89 ? 76 ARG A O 1 ATOM 617 C CB . ARG A 1 76 ? -50.122 -43.056 -15.112 1.00 15.68 ? 76 ARG A CB 1 ATOM 618 C CG . ARG A 1 76 ? -51.550 -42.570 -15.126 1.00 19.06 ? 76 ARG A CG 1 ATOM 619 C CD . ARG A 1 76 ? -51.618 -41.115 -15.575 1.00 21.96 ? 76 ARG A CD 1 ATOM 620 N NE . ARG A 1 76 ? -52.817 -40.458 -15.070 1.00 21.21 ? 76 ARG A NE 1 ATOM 621 C CZ . ARG A 1 76 ? -53.017 -39.147 -15.094 1.00 22.30 ? 76 ARG A CZ 1 ATOM 622 N NH1 . ARG A 1 76 ? -52.098 -38.340 -15.614 1.00 16.73 ? 76 ARG A NH1 1 ATOM 623 N NH2 . ARG A 1 76 ? -54.141 -38.645 -14.602 1.00 20.88 ? 76 ARG A NH2 1 ATOM 624 N N . SER A 1 77 ? -47.567 -44.928 -14.660 1.00 13.50 ? 77 SER A N 1 ATOM 625 C CA . SER A 1 77 ? -46.227 -45.282 -15.123 1.00 14.13 ? 77 SER A CA 1 ATOM 626 C C . SER A 1 77 ? -45.945 -46.778 -15.015 1.00 16.43 ? 77 SER A C 1 ATOM 627 O O . SER A 1 77 ? -44.833 -47.218 -15.310 1.00 14.72 ? 77 SER A O 1 ATOM 628 C CB . SER A 1 77 ? -45.172 -44.536 -14.303 1.00 14.06 ? 77 SER A CB 1 ATOM 629 O OG . SER A 1 77 ? -45.001 -45.153 -13.033 1.00 13.70 ? 77 SER A OG 1 ATOM 630 N N . ASN A 1 78 ? -46.940 -47.549 -14.586 1.00 15.54 ? 78 ASN A N 1 ATOM 631 C CA . ASN A 1 78 ? -46.740 -48.967 -14.267 1.00 16.54 ? 78 ASN A CA 1 ATOM 632 C C . ASN A 1 78 ? -45.646 -49.163 -13.219 1.00 15.19 ? 78 ASN A C 1 ATOM 633 O O . ASN A 1 78 ? -44.792 -50.052 -13.339 1.00 14.51 ? 78 ASN A O 1 ATOM 634 C CB . ASN A 1 78 ? -46.433 -49.782 -15.521 1.00 19.56 ? 78 ASN A CB 1 ATOM 635 C CG . ASN A 1 78 ? -47.479 -49.607 -16.587 1.00 24.99 ? 78 ASN A CG 1 ATOM 636 O OD1 . ASN A 1 78 ? -48.677 -49.669 -16.306 1.00 22.00 ? 78 ASN A OD1 1 ATOM 637 N ND2 . ASN A 1 78 ? -47.037 -49.366 -17.819 1.00 37.53 ? 78 ASN A ND2 1 ATOM 638 N N . TYR A 1 79 ? -45.682 -48.314 -12.199 1.00 11.76 ? 79 TYR A N 1 ATOM 639 C CA . TYR A 1 79 ? -44.772 -48.402 -11.059 1.00 14.40 ? 79 TYR A CA 1 ATOM 640 C C . TYR A 1 79 ? -43.308 -48.294 -11.461 1.00 16.58 ? 79 TYR A C 1 ATOM 641 O O . TYR A 1 79 ? -42.451 -49.021 -10.950 1.00 16.66 ? 79 TYR A O 1 ATOM 642 C CB . TYR A 1 79 ? -45.042 -49.679 -10.257 1.00 14.38 ? 79 TYR A CB 1 ATOM 643 C CG . TYR A 1 79 ? -46.426 -49.678 -9.646 1.00 14.50 ? 79 TYR A CG 1 ATOM 644 C CD1 . TYR A 1 79 ? -47.533 -50.071 -10.388 1.00 16.46 ? 79 TYR A CD1 1 ATOM 645 C CD2 . TYR A 1 79 ? -46.629 -49.251 -8.337 1.00 15.04 ? 79 TYR A CD2 1 ATOM 646 C CE1 . TYR A 1 79 ? -48.800 -50.055 -9.837 1.00 15.77 ? 79 TYR A CE1 1 ATOM 647 C CE2 . TYR A 1 79 ? -47.896 -49.232 -7.782 1.00 17.41 ? 79 TYR A CE2 1 ATOM 648 C CZ . TYR A 1 79 ? -48.971 -49.631 -8.534 1.00 15.54 ? 79 TYR A CZ 1 ATOM 649 O OH . TYR A 1 79 ? -50.237 -49.617 -7.991 1.00 17.83 ? 79 TYR A OH 1 ATOM 650 N N . THR A 1 80 ? -43.029 -47.376 -12.379 1.00 11.68 ? 80 THR A N 1 ATOM 651 C CA . THR A 1 80 ? -41.657 -47.095 -12.775 1.00 14.10 ? 80 THR A CA 1 ATOM 652 C C . THR A 1 80 ? -41.021 -46.223 -11.698 1.00 12.33 ? 80 THR A C 1 ATOM 653 O O . THR A 1 80 ? -41.486 -45.115 -11.447 1.00 13.93 ? 80 THR A O 1 ATOM 654 C CB . THR A 1 80 ? -41.617 -46.376 -14.141 1.00 14.24 ? 80 THR A CB 1 ATOM 655 O OG1 . THR A 1 80 ? -42.191 -47.232 -15.139 1.00 17.02 ? 80 THR A OG1 1 ATOM 656 C CG2 . THR A 1 80 ? -40.184 -46.038 -14.532 1.00 16.14 ? 80 THR A CG2 1 ATOM 657 N N . PRO A 1 81 ? -39.975 -46.733 -11.030 1.00 12.96 ? 81 PRO A N 1 ATOM 658 C CA . PRO A 1 81 ? -39.367 -45.984 -9.927 1.00 12.90 ? 81 PRO A CA 1 ATOM 659 C C . PRO A 1 81 ? -38.356 -44.953 -10.402 1.00 12.67 ? 81 PRO A C 1 ATOM 660 O O . PRO A 1 81 ? -37.931 -44.971 -11.560 1.00 11.89 ? 81 PRO A O 1 ATOM 661 C CB . PRO A 1 81 ? -38.648 -47.069 -9.131 1.00 15.39 ? 81 PRO A CB 1 ATOM 662 C CG . PRO A 1 81 ? -38.266 -48.067 -10.157 1.00 17.92 ? 81 PRO A CG 1 ATOM 663 C CD . PRO A 1 81 ? -39.363 -48.062 -11.195 1.00 17.03 ? 81 PRO A CD 1 ATOM 664 N N . ILE A 1 82 ? -37.971 -44.065 -9.494 1.00 9.16 ? 82 ILE A N 1 ATOM 665 C CA . ILE A 1 82 ? -37.005 -43.028 -9.813 1.00 9.86 ? 82 ILE A CA 1 ATOM 666 C C . ILE A 1 82 ? -35.621 -43.661 -9.926 1.00 12.80 ? 82 ILE A C 1 ATOM 667 O O . ILE A 1 82 ? -35.318 -44.646 -9.252 1.00 14.10 ? 82 ILE A O 1 ATOM 668 C CB . ILE A 1 82 ? -37.019 -41.902 -8.746 1.00 9.53 ? 82 ILE A CB 1 ATOM 669 C CG1 . ILE A 1 82 ? -36.311 -40.647 -9.264 1.00 12.91 ? 82 ILE A CG1 1 ATOM 670 C CG2 . ILE A 1 82 ? -36.410 -42.378 -7.426 1.00 14.09 ? 82 ILE A CG2 1 ATOM 671 C CD1 . ILE A 1 82 ? -36.639 -39.394 -8.453 1.00 14.21 ? 82 ILE A CD1 1 ATOM 672 N N . THR A 1 83 ? -34.797 -43.115 -10.811 1.00 11.69 ? 83 THR A N 1 ATOM 673 C CA . THR A 1 83 ? -33.402 -43.527 -10.896 1.00 12.18 ? 83 THR A CA 1 ATOM 674 C C . THR A 1 83 ? -32.588 -42.640 -9.961 1.00 12.07 ? 83 THR A C 1 ATOM 675 O O . THR A 1 83 ? -32.704 -41.416 -10.015 1.00 14.54 ? 83 THR A O 1 ATOM 676 C CB . THR A 1 83 ? -32.884 -43.391 -12.331 1.00 16.43 ? 83 THR A CB 1 ATOM 677 O OG1 . THR A 1 83 ? -33.636 -44.266 -13.184 1.00 18.64 ? 83 THR A OG1 1 ATOM 678 C CG2 . THR A 1 83 ? -31.397 -43.747 -12.410 1.00 20.07 ? 83 THR A CG2 1 ATOM 679 N N . ASN A 1 84 ? -31.794 -43.249 -9.083 1.00 10.89 ? 84 ASN A N 1 ATOM 680 C CA . ASN A 1 84 ? -30.953 -42.474 -8.178 1.00 12.17 ? 84 ASN A CA 1 ATOM 681 C C . ASN A 1 84 ? -29.891 -41.715 -8.960 1.00 13.61 ? 84 ASN A C 1 ATOM 682 O O . ASN A 1 84 ? -29.227 -42.280 -9.833 1.00 15.19 ? 84 ASN A O 1 ATOM 683 C CB . ASN A 1 84 ? -30.251 -43.377 -7.161 1.00 14.83 ? 84 ASN A CB 1 ATOM 684 C CG . ASN A 1 84 ? -31.217 -44.110 -6.254 1.00 15.68 ? 84 ASN A CG 1 ATOM 685 O OD1 . ASN A 1 84 ? -32.192 -43.538 -5.766 1.00 15.06 ? 84 ASN A OD1 1 ATOM 686 N ND2 . ASN A 1 84 ? -30.939 -45.388 -6.010 1.00 18.65 ? 84 ASN A ND2 1 ATOM 687 N N . VAL A 1 85 ? -29.742 -40.432 -8.640 1.00 12.88 ? 85 VAL A N 1 ATOM 688 C CA . VAL A 1 85 ? -28.684 -39.597 -9.195 1.00 13.37 ? 85 VAL A CA 1 ATOM 689 C C . VAL A 1 85 ? -27.874 -39.111 -8.007 1.00 9.98 ? 85 VAL A C 1 ATOM 690 O O . VAL A 1 85 ? -28.365 -38.313 -7.211 1.00 11.63 ? 85 VAL A O 1 ATOM 691 C CB . VAL A 1 85 ? -29.273 -38.376 -9.943 1.00 12.39 ? 85 VAL A CB 1 ATOM 692 C CG1 . VAL A 1 85 ? -28.167 -37.461 -10.471 1.00 11.23 ? 85 VAL A CG1 1 ATOM 693 C CG2 . VAL A 1 85 ? -30.194 -38.836 -11.071 1.00 14.55 ? 85 VAL A CG2 1 ATOM 694 N N . PRO A 1 86 ? -26.632 -39.603 -7.868 1.00 9.80 ? 86 PRO A N 1 ATOM 695 C CA . PRO A 1 86 ? -25.850 -39.254 -6.679 1.00 11.36 ? 86 PRO A CA 1 ATOM 696 C C . PRO A 1 86 ? -25.392 -37.798 -6.723 1.00 12.76 ? 86 PRO A C 1 ATOM 697 O O . PRO A 1 86 ? -25.244 -37.234 -7.804 1.00 13.73 ? 86 PRO A O 1 ATOM 698 C CB . PRO A 1 86 ? -24.657 -40.207 -6.760 1.00 12.33 ? 86 PRO A CB 1 ATOM 699 C CG . PRO A 1 86 ? -24.487 -40.463 -8.229 1.00 12.85 ? 86 PRO A CG 1 ATOM 700 C CD . PRO A 1 86 ? -25.885 -40.469 -8.797 1.00 12.20 ? 86 PRO A CD 1 ATOM 701 N N . PRO A 1 87 ? -25.169 -37.194 -5.553 1.00 9.31 ? 87 PRO A N 1 ATOM 702 C CA . PRO A 1 87 ? -24.818 -35.772 -5.491 1.00 9.55 ? 87 PRO A CA 1 ATOM 703 C C . PRO A 1 87 ? -23.359 -35.457 -5.812 1.00 13.29 ? 87 PRO A C 1 ATOM 704 O O . PRO A 1 87 ? -22.473 -36.297 -5.652 1.00 13.96 ? 87 PRO A O 1 ATOM 705 C CB . PRO A 1 87 ? -25.095 -35.417 -4.029 1.00 9.22 ? 87 PRO A CB 1 ATOM 706 C CG . PRO A 1 87 ? -24.879 -36.694 -3.290 1.00 11.09 ? 87 PRO A CG 1 ATOM 707 C CD . PRO A 1 87 ? -25.351 -37.782 -4.215 1.00 9.10 ? 87 PRO A CD 1 ATOM 708 N N . GLU A 1 88 ? -23.137 -34.234 -6.282 1.00 9.24 ? 88 GLU A N 1 ATOM 709 C CA . GLU A 1 88 ? -21.815 -33.638 -6.304 1.00 10.66 ? 88 GLU A CA 1 ATOM 710 C C . GLU A 1 88 ? -21.696 -32.899 -4.989 1.00 12.37 ? 88 GLU A C 1 ATOM 711 O O . GLU A 1 88 ? -22.626 -32.217 -4.576 1.00 15.18 ? 88 GLU A O 1 ATOM 712 C CB . GLU A 1 88 ? -21.700 -32.635 -7.449 1.00 16.33 ? 88 GLU A CB 1 ATOM 713 C CG . GLU A 1 88 ? -21.662 -33.255 -8.818 1.00 26.92 ? 88 GLU A CG 1 ATOM 714 C CD . GLU A 1 88 ? -21.466 -32.220 -9.909 1.00 35.99 ? 88 GLU A CD 1 ATOM 715 O OE1 . GLU A 1 88 ? -21.353 -31.017 -9.580 1.00 36.07 ? 88 GLU A OE1 1 ATOM 716 O OE2 . GLU A 1 88 ? -21.425 -32.615 -11.093 1.00 40.98 ? 88 GLU A OE2 1 ATOM 717 N N . VAL A 1 89 ? -20.552 -33.019 -4.328 1.00 10.25 ? 89 VAL A N 1 ATOM 718 C CA . VAL A 1 89 ? -20.399 -32.417 -3.008 1.00 9.96 ? 89 VAL A CA 1 ATOM 719 C C . VAL A 1 89 ? -19.158 -31.537 -2.994 1.00 11.40 ? 89 VAL A C 1 ATOM 720 O O . VAL A 1 89 ? -18.100 -31.945 -3.468 1.00 13.98 ? 89 VAL A O 1 ATOM 721 C CB . VAL A 1 89 ? -20.268 -33.500 -1.913 1.00 13.74 ? 89 VAL A CB 1 ATOM 722 C CG1 . VAL A 1 89 ? -20.045 -32.871 -0.553 1.00 14.50 ? 89 VAL A CG1 1 ATOM 723 C CG2 . VAL A 1 89 ? -21.507 -34.397 -1.899 1.00 12.53 ? 89 VAL A CG2 1 ATOM 724 N N . THR A 1 90 ? -19.305 -30.322 -2.474 1.00 10.64 ? 90 THR A N 1 ATOM 725 C CA A THR A 1 90 ? -18.207 -29.367 -2.384 0.67 11.24 ? 90 THR A CA 1 ATOM 726 C CA B THR A 1 90 ? -18.179 -29.405 -2.360 0.33 11.33 ? 90 THR A CA 1 ATOM 727 C C . THR A 1 90 ? -18.161 -28.760 -0.984 1.00 12.58 ? 90 THR A C 1 ATOM 728 O O . THR A 1 90 ? -19.204 -28.448 -0.410 1.00 14.16 ? 90 THR A O 1 ATOM 729 C CB A THR A 1 90 ? -18.375 -28.228 -3.416 0.67 12.44 ? 90 THR A CB 1 ATOM 730 C CB B THR A 1 90 ? -18.189 -28.303 -3.450 0.33 12.84 ? 90 THR A CB 1 ATOM 731 O OG1 A THR A 1 90 ? -18.672 -28.779 -4.704 0.67 15.20 ? 90 THR A OG1 1 ATOM 732 O OG1 B THR A 1 90 ? -19.421 -27.573 -3.400 0.33 12.69 ? 90 THR A OG1 1 ATOM 733 C CG2 A THR A 1 90 ? -17.108 -27.382 -3.507 0.67 13.41 ? 90 THR A CG2 1 ATOM 734 C CG2 B THR A 1 90 ? -18.007 -28.904 -4.837 0.33 13.71 ? 90 THR A CG2 1 ATOM 735 N N . VAL A 1 91 ? -16.958 -28.594 -0.442 1.00 12.93 ? 91 VAL A N 1 ATOM 736 C CA . VAL A 1 91 ? -16.800 -27.902 0.832 1.00 12.62 ? 91 VAL A CA 1 ATOM 737 C C . VAL A 1 91 ? -15.996 -26.636 0.610 1.00 15.19 ? 91 VAL A C 1 ATOM 738 O O . VAL A 1 91 ? -14.931 -26.666 -0.000 1.00 17.35 ? 91 VAL A O 1 ATOM 739 C CB . VAL A 1 91 ? -16.120 -28.779 1.902 1.00 12.89 ? 91 VAL A CB 1 ATOM 740 C CG1 . VAL A 1 91 ? -15.759 -27.942 3.126 1.00 16.63 ? 91 VAL A CG1 1 ATOM 741 C CG2 . VAL A 1 91 ? -17.040 -29.920 2.293 1.00 18.55 ? 91 VAL A CG2 1 ATOM 742 N N . LEU A 1 92 ? -16.530 -25.520 1.089 1.00 13.14 ? 92 LEU A N 1 ATOM 743 C CA . LEU A 1 92 ? -15.859 -24.234 0.977 1.00 17.43 ? 92 LEU A CA 1 ATOM 744 C C . LEU A 1 92 ? -16.108 -23.435 2.248 1.00 18.38 ? 92 LEU A C 1 ATOM 745 O O . LEU A 1 92 ? -16.975 -23.779 3.045 1.00 19.17 ? 92 LEU A O 1 ATOM 746 C CB . LEU A 1 92 ? -16.366 -23.459 -0.247 1.00 20.56 ? 92 LEU A CB 1 ATOM 747 C CG . LEU A 1 92 ? -17.856 -23.086 -0.309 1.00 27.99 ? 92 LEU A CG 1 ATOM 748 C CD1 . LEU A 1 92 ? -18.060 -21.932 -1.270 1.00 32.34 ? 92 LEU A CD1 1 ATOM 749 C CD2 . LEU A 1 92 ? -18.743 -24.258 -0.720 1.00 29.00 ? 92 LEU A CD2 1 ATOM 750 N N . THR A 1 93 ? -15.331 -22.379 2.452 1.00 17.48 ? 93 THR A N 1 ATOM 751 C CA . THR A 1 93 ? -15.619 -21.467 3.545 1.00 16.67 ? 93 THR A CA 1 ATOM 752 C C . THR A 1 93 ? -16.373 -20.274 2.971 1.00 18.85 ? 93 THR A C 1 ATOM 753 O O . THR A 1 93 ? -16.346 -20.033 1.763 1.00 18.46 ? 93 THR A O 1 ATOM 754 C CB . THR A 1 93 ? -14.342 -20.992 4.249 1.00 19.19 ? 93 THR A CB 1 ATOM 755 O OG1 . THR A 1 93 ? -13.539 -20.232 3.338 1.00 19.65 ? 93 THR A OG1 1 ATOM 756 C CG2 . THR A 1 93 ? -13.538 -22.192 4.760 1.00 21.39 ? 93 THR A CG2 1 ATOM 757 N N . ASN A 1 94 ? -17.055 -19.518 3.818 1.00 18.19 ? 94 ASN A N 1 ATOM 758 C CA . ASN A 1 94 ? -17.791 -18.389 3.271 1.00 22.75 ? 94 ASN A CA 1 ATOM 759 C C . ASN A 1 94 ? -16.939 -17.130 3.165 1.00 17.72 ? 94 ASN A C 1 ATOM 760 O O . ASN A 1 94 ? -17.324 -16.166 2.509 1.00 20.53 ? 94 ASN A O 1 ATOM 761 C CB . ASN A 1 94 ? -19.117 -18.154 4.000 1.00 31.57 ? 94 ASN A CB 1 ATOM 762 C CG . ASN A 1 94 ? -18.944 -17.513 5.351 1.00 35.99 ? 94 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 94 ? -17.889 -17.617 5.978 1.00 34.12 ? 94 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 94 ? -19.994 -16.839 5.816 1.00 38.27 ? 94 ASN A ND2 1 ATOM 765 N N . SER A 1 95 ? -15.765 -17.154 3.789 1.00 18.02 ? 95 SER A N 1 ATOM 766 C CA . SER A 1 95 ? -14.842 -16.026 3.711 1.00 20.11 ? 95 SER A CA 1 ATOM 767 C C . SER A 1 95 ? -13.398 -16.534 3.751 1.00 18.54 ? 95 SER A C 1 ATOM 768 O O . SER A 1 95 ? -13.163 -17.673 4.160 1.00 17.88 ? 95 SER A O 1 ATOM 769 C CB . SER A 1 95 ? -15.112 -15.040 4.853 1.00 25.13 ? 95 SER A CB 1 ATOM 770 O OG . SER A 1 95 ? -14.678 -15.553 6.095 1.00 35.44 ? 95 SER A OG 1 ATOM 771 N N . PRO A 1 96 ? -12.436 -15.710 3.297 1.00 19.77 ? 96 PRO A N 1 ATOM 772 C CA . PRO A 1 96 ? -11.023 -16.105 3.357 1.00 19.98 ? 96 PRO A CA 1 ATOM 773 C C . PRO A 1 96 ? -10.623 -16.513 4.769 1.00 20.50 ? 96 PRO A C 1 ATOM 774 O O . PRO A 1 96 ? -10.990 -15.841 5.733 1.00 20.55 ? 96 PRO A O 1 ATOM 775 C CB . PRO A 1 96 ? -10.287 -14.827 2.960 1.00 22.43 ? 96 PRO A CB 1 ATOM 776 C CG . PRO A 1 96 ? -11.254 -14.101 2.093 1.00 25.09 ? 96 PRO A CG 1 ATOM 777 C CD . PRO A 1 96 ? -12.609 -14.390 2.660 1.00 23.86 ? 96 PRO A CD 1 ATOM 778 N N . VAL A 1 97 ? -9.876 -17.602 4.884 1.00 24.25 ? 97 VAL A N 1 ATOM 779 C CA . VAL A 1 97 ? -9.546 -18.152 6.191 1.00 23.68 ? 97 VAL A CA 1 ATOM 780 C C . VAL A 1 97 ? -8.347 -17.459 6.830 1.00 25.26 ? 97 VAL A C 1 ATOM 781 O O . VAL A 1 97 ? -7.305 -17.270 6.198 1.00 26.23 ? 97 VAL A O 1 ATOM 782 C CB . VAL A 1 97 ? -9.285 -19.668 6.111 1.00 23.77 ? 97 VAL A CB 1 ATOM 783 C CG1 . VAL A 1 97 ? -8.946 -20.227 7.486 1.00 28.20 ? 97 VAL A CG1 1 ATOM 784 C CG2 . VAL A 1 97 ? -10.491 -20.375 5.527 1.00 25.29 ? 97 VAL A CG2 1 ATOM 785 N N . GLU A 1 98 ? -8.517 -17.063 8.085 1.00 21.83 ? 98 GLU A N 1 ATOM 786 C CA . GLU A 1 98 ? -7.415 -16.573 8.898 1.00 24.86 ? 98 GLU A CA 1 ATOM 787 C C . GLU A 1 98 ? -7.475 -17.287 10.239 1.00 24.67 ? 98 GLU A C 1 ATOM 788 O O . GLU A 1 98 ? -8.559 -17.468 10.799 1.00 24.32 ? 98 GLU A O 1 ATOM 789 C CB . GLU A 1 98 ? -7.520 -15.061 9.096 1.00 34.33 ? 98 GLU A CB 1 ATOM 790 C CG . GLU A 1 98 ? -7.341 -14.263 7.817 1.00 47.56 ? 98 GLU A CG 1 ATOM 791 C CD . GLU A 1 98 ? -8.067 -12.935 7.854 1.00 61.56 ? 98 GLU A CD 1 ATOM 792 O OE1 . GLU A 1 98 ? -8.670 -12.614 8.900 1.00 65.18 ? 98 GLU A OE1 1 ATOM 793 O OE2 . GLU A 1 98 ? -8.042 -12.216 6.832 1.00 68.93 ? 98 GLU A OE2 1 ATOM 794 N N . LEU A 1 99 ? -6.314 -17.701 10.741 1.00 27.10 ? 99 LEU A N 1 ATOM 795 C CA . LEU A 1 99 ? -6.237 -18.414 12.013 1.00 26.51 ? 99 LEU A CA 1 ATOM 796 C C . LEU A 1 99 ? -6.942 -17.650 13.129 1.00 25.21 ? 99 LEU A C 1 ATOM 797 O O . LEU A 1 99 ? -6.774 -16.438 13.268 1.00 27.36 ? 99 LEU A O 1 ATOM 798 C CB . LEU A 1 99 ? -4.778 -18.682 12.400 1.00 25.60 ? 99 LEU A CB 1 ATOM 799 C CG . LEU A 1 99 ? -4.022 -19.743 11.598 1.00 30.23 ? 99 LEU A CG 1 ATOM 800 C CD1 . LEU A 1 99 ? -2.596 -19.878 12.096 1.00 31.59 ? 99 LEU A CD1 1 ATOM 801 C CD2 . LEU A 1 99 ? -4.735 -21.089 11.659 1.00 32.62 ? 99 LEU A CD2 1 ATOM 802 N N . ARG A 1 100 ? -7.752 -18.372 13.897 1.00 26.67 ? 100 ARG A N 1 ATOM 803 C CA . ARG A 1 100 ? -8.432 -17.834 15.076 1.00 32.82 ? 100 ARG A CA 1 ATOM 804 C C . ARG A 1 100 ? -9.438 -16.717 14.782 1.00 35.16 ? 100 ARG A C 1 ATOM 805 O O . ARG A 1 100 ? -9.859 -16.002 15.690 1.00 39.23 ? 100 ARG A O 1 ATOM 806 C CB . ARG A 1 100 ? -7.422 -17.390 16.139 1.00 38.81 ? 100 ARG A CB 1 ATOM 807 C CG . ARG A 1 100 ? -6.624 -18.535 16.741 1.00 46.20 ? 100 ARG A CG 1 ATOM 808 C CD . ARG A 1 100 ? -5.611 -18.030 17.757 1.00 52.72 ? 100 ARG A CD 1 ATOM 809 N NE . ARG A 1 100 ? -4.755 -16.995 17.184 1.00 57.91 ? 100 ARG A NE 1 ATOM 810 C CZ . ARG A 1 100 ? -3.676 -17.239 16.447 1.00 58.50 ? 100 ARG A CZ 1 ATOM 811 N NH1 . ARG A 1 100 ? -2.962 -16.232 15.965 1.00 59.80 ? 100 ARG A NH1 1 ATOM 812 N NH2 . ARG A 1 100 ? -3.312 -18.490 16.191 1.00 56.25 ? 100 ARG A NH2 1 ATOM 813 N N . GLU A 1 101 ? -9.828 -16.577 13.519 1.00 27.18 ? 101 GLU A N 1 ATOM 814 C CA . GLU A 1 101 ? -10.903 -15.664 13.154 1.00 26.73 ? 101 GLU A CA 1 ATOM 815 C C . GLU A 1 101 ? -12.107 -16.482 12.713 1.00 25.86 ? 101 GLU A C 1 ATOM 816 O O . GLU A 1 101 ? -12.023 -17.218 11.733 1.00 23.99 ? 101 GLU A O 1 ATOM 817 C CB . GLU A 1 101 ? -10.467 -14.724 12.029 1.00 27.73 ? 101 GLU A CB 1 ATOM 818 C CG . GLU A 1 101 ? -9.223 -13.908 12.339 1.00 34.45 ? 101 GLU A CG 1 ATOM 819 C CD . GLU A 1 101 ? -9.452 -12.856 13.411 1.00 43.93 ? 101 GLU A CD 1 ATOM 820 O OE1 . GLU A 1 101 ? -10.625 -12.523 13.691 1.00 45.79 ? 101 GLU A OE1 1 ATOM 821 O OE2 . GLU A 1 101 ? -8.453 -12.359 13.974 1.00 47.52 ? 101 GLU A OE2 1 ATOM 822 N N . PRO A 1 102 ? -13.226 -16.363 13.445 1.00 23.08 ? 102 PRO A N 1 ATOM 823 C CA . PRO A 1 102 ? -14.444 -17.135 13.181 1.00 24.12 ? 102 PRO A CA 1 ATOM 824 C C . PRO A 1 102 ? -14.834 -17.139 11.707 1.00 25.41 ? 102 PRO A C 1 ATOM 825 O O . PRO A 1 102 ? -14.796 -16.106 11.038 1.00 23.81 ? 102 PRO A O 1 ATOM 826 C CB . PRO A 1 102 ? -15.498 -16.411 14.016 1.00 26.04 ? 102 PRO A CB 1 ATOM 827 C CG . PRO A 1 102 ? -14.730 -15.889 15.178 1.00 25.20 ? 102 PRO A CG 1 ATOM 828 C CD . PRO A 1 102 ? -13.367 -15.509 14.638 1.00 28.08 ? 102 PRO A CD 1 ATOM 829 N N . ASN A 1 103 ? -15.178 -18.321 11.214 1.00 19.38 ? 103 ASN A N 1 ATOM 830 C CA . ASN A 1 103 ? -15.553 -18.511 9.824 1.00 18.49 ? 103 ASN A CA 1 ATOM 831 C C . ASN A 1 103 ? -16.673 -19.540 9.783 1.00 17.17 ? 103 ASN A C 1 ATOM 832 O O . ASN A 1 103 ? -17.151 -19.984 10.830 1.00 18.84 ? 103 ASN A O 1 ATOM 833 C CB . ASN A 1 103 ? -14.337 -18.982 9.017 1.00 17.35 ? 103 ASN A CB 1 ATOM 834 C CG . ASN A 1 103 ? -14.390 -18.549 7.561 1.00 22.56 ? 103 ASN A CG 1 ATOM 835 O OD1 . ASN A 1 103 ? -15.392 -18.751 6.871 1.00 21.00 ? 103 ASN A OD1 1 ATOM 836 N ND2 . ASN A 1 103 ? -13.302 -17.948 7.086 1.00 22.51 ? 103 ASN A ND2 1 ATOM 837 N N . VAL A 1 104 ? -17.114 -19.907 8.587 1.00 16.19 ? 104 VAL A N 1 ATOM 838 C CA . VAL A 1 104 ? -18.156 -20.915 8.449 1.00 18.34 ? 104 VAL A CA 1 ATOM 839 C C . VAL A 1 104 ? -17.806 -21.873 7.320 1.00 17.64 ? 104 VAL A C 1 ATOM 840 O O . VAL A 1 104 ? -17.469 -21.444 6.219 1.00 13.92 ? 104 VAL A O 1 ATOM 841 C CB . VAL A 1 104 ? -19.552 -20.283 8.165 1.00 16.05 ? 104 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 104 ? -20.621 -21.372 8.059 1.00 17.78 ? 104 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 104 ? -19.926 -19.275 9.253 1.00 17.75 ? 104 VAL A CG2 1 ATOM 844 N N . LEU A 1 105 ? -17.863 -23.170 7.605 1.00 13.54 ? 105 LEU A N 1 ATOM 845 C CA . LEU A 1 105 ? -17.731 -24.177 6.568 1.00 12.58 ? 105 LEU A CA 1 ATOM 846 C C . LEU A 1 105 ? -19.082 -24.428 5.915 1.00 14.08 ? 105 LEU A C 1 ATOM 847 O O . LEU A 1 105 ? -20.099 -24.556 6.596 1.00 14.83 ? 105 LEU A O 1 ATOM 848 C CB . LEU A 1 105 ? -17.177 -25.482 7.144 1.00 13.42 ? 105 LEU A CB 1 ATOM 849 C CG . LEU A 1 105 ? -15.674 -25.471 7.419 1.00 19.85 ? 105 LEU A CG 1 ATOM 850 C CD1 . LEU A 1 105 ? -15.265 -26.659 8.272 1.00 22.32 ? 105 LEU A CD1 1 ATOM 851 C CD2 . LEU A 1 105 ? -14.920 -25.471 6.109 1.00 18.41 ? 105 LEU A CD2 1 ATOM 852 N N . ILE A 1 106 ? -19.088 -24.469 4.590 1.00 11.74 ? 106 ILE A N 1 ATOM 853 C CA . ILE A 1 106 ? -20.307 -24.752 3.841 1.00 11.74 ? 106 ILE A CA 1 ATOM 854 C C . ILE A 1 106 ? -20.129 -26.065 3.102 1.00 15.12 ? 106 ILE A C 1 ATOM 855 O O . ILE A 1 106 ? -19.161 -26.242 2.357 1.00 13.80 ? 106 ILE A O 1 ATOM 856 C CB . ILE A 1 106 ? -20.601 -23.653 2.813 1.00 13.31 ? 106 ILE A CB 1 ATOM 857 C CG1 . ILE A 1 106 ? -20.639 -22.282 3.497 1.00 14.37 ? 106 ILE A CG1 1 ATOM 858 C CG2 . ILE A 1 106 ? -21.917 -23.929 2.102 1.00 13.35 ? 106 ILE A CG2 1 ATOM 859 C CD1 . ILE A 1 106 ? -20.776 -21.120 2.532 1.00 18.12 ? 106 ILE A CD1 1 ATOM 860 N N . CYS A 1 107 ? -21.057 -26.991 3.314 1.00 11.10 ? 107 CYS A N 1 ATOM 861 C CA . CYS A 1 107 ? -21.082 -28.214 2.527 1.00 9.54 ? 107 CYS A CA 1 ATOM 862 C C . CYS A 1 107 ? -22.208 -28.092 1.516 1.00 12.55 ? 107 CYS A C 1 ATOM 863 O O . CYS A 1 107 ? -23.386 -27.996 1.887 1.00 14.19 ? 107 CYS A O 1 ATOM 864 C CB . CYS A 1 107 ? -21.286 -29.434 3.420 1.00 9.87 ? 107 CYS A CB 1 ATOM 865 S SG . CYS A 1 107 ? -21.226 -31.012 2.524 1.00 13.90 ? 107 CYS A SG 1 ATOM 866 N N . PHE A 1 108 ? -21.849 -28.062 0.238 1.00 8.80 ? 108 PHE A N 1 ATOM 867 C CA . PHE A 1 108 ? -22.842 -27.888 -0.816 1.00 11.99 ? 108 PHE A CA 1 ATOM 868 C C . PHE A 1 108 ? -23.116 -29.233 -1.461 1.00 16.23 ? 108 PHE A C 1 ATOM 869 O O . PHE A 1 108 ? -22.214 -29.861 -2.011 1.00 14.87 ? 108 PHE A O 1 ATOM 870 C CB . PHE A 1 108 ? -22.353 -26.897 -1.870 1.00 13.35 ? 108 PHE A CB 1 ATOM 871 C CG . PHE A 1 108 ? -23.352 -26.635 -2.972 1.00 20.42 ? 108 PHE A CG 1 ATOM 872 C CD1 . PHE A 1 108 ? -24.705 -26.501 -2.687 1.00 23.99 ? 108 PHE A CD1 1 ATOM 873 C CD2 . PHE A 1 108 ? -22.935 -26.500 -4.287 1.00 24.74 ? 108 PHE A CD2 1 ATOM 874 C CE1 . PHE A 1 108 ? -25.620 -26.250 -3.695 1.00 25.37 ? 108 PHE A CE1 1 ATOM 875 C CE2 . PHE A 1 108 ? -23.845 -26.241 -5.299 1.00 22.75 ? 108 PHE A CE2 1 ATOM 876 C CZ . PHE A 1 108 ? -25.188 -26.111 -5.002 1.00 21.32 ? 108 PHE A CZ 1 ATOM 877 N N . ILE A 1 109 ? -24.365 -29.678 -1.379 1.00 10.24 ? 109 ILE A N 1 ATOM 878 C CA . ILE A 1 109 ? -24.745 -30.977 -1.919 1.00 9.37 ? 109 ILE A CA 1 ATOM 879 C C . ILE A 1 109 ? -25.670 -30.732 -3.098 1.00 11.06 ? 109 ILE A C 1 ATOM 880 O O . ILE A 1 109 ? -26.740 -30.151 -2.937 1.00 11.73 ? 109 ILE A O 1 ATOM 881 C CB . ILE A 1 109 ? -25.459 -31.815 -0.851 1.00 9.27 ? 109 ILE A CB 1 ATOM 882 C CG1 . ILE A 1 109 ? -24.579 -31.925 0.397 1.00 12.00 ? 109 ILE A CG1 1 ATOM 883 C CG2 . ILE A 1 109 ? -25.747 -33.191 -1.382 1.00 9.42 ? 109 ILE A CG2 1 ATOM 884 C CD1 . ILE A 1 109 ? -25.132 -31.225 1.605 1.00 19.77 ? 109 ILE A CD1 1 ATOM 885 N N . ASP A 1 110 ? -25.246 -31.135 -4.292 1.00 10.05 ? 110 ASP A N 1 ATOM 886 C CA . ASP A 1 110 ? -25.873 -30.620 -5.508 1.00 10.54 ? 110 ASP A CA 1 ATOM 887 C C . ASP A 1 110 ? -26.209 -31.713 -6.511 1.00 13.64 ? 110 ASP A C 1 ATOM 888 O O . ASP A 1 110 ? -25.584 -32.775 -6.526 1.00 12.13 ? 110 ASP A O 1 ATOM 889 C CB . ASP A 1 110 ? -24.923 -29.600 -6.161 1.00 13.38 ? 110 ASP A CB 1 ATOM 890 C CG . ASP A 1 110 ? -25.605 -28.699 -7.179 1.00 17.54 ? 110 ASP A CG 1 ATOM 891 O OD1 . ASP A 1 110 ? -26.851 -28.664 -7.248 1.00 14.84 ? 110 ASP A OD1 1 ATOM 892 O OD2 . ASP A 1 110 ? -24.870 -27.994 -7.911 1.00 16.74 ? 110 ASP A OD2 1 ATOM 893 N N . LYS A 1 111 ? -27.214 -31.433 -7.337 1.00 8.78 ? 111 LYS A N 1 ATOM 894 C CA . LYS A 1 111 ? -27.541 -32.239 -8.510 1.00 10.52 ? 111 LYS A CA 1 ATOM 895 C C . LYS A 1 111 ? -27.890 -33.682 -8.168 1.00 11.30 ? 111 LYS A C 1 ATOM 896 O O . LYS A 1 111 ? -27.350 -34.615 -8.764 1.00 11.65 ? 111 LYS A O 1 ATOM 897 C CB . LYS A 1 111 ? -26.387 -32.180 -9.525 1.00 13.96 ? 111 LYS A CB 1 ATOM 898 C CG . LYS A 1 111 ? -26.808 -32.422 -10.963 1.00 23.29 ? 111 LYS A CG 1 ATOM 899 C CD . LYS A 1 111 ? -25.786 -31.880 -11.956 1.00 25.60 ? 111 LYS A CD 1 ATOM 900 C CE . LYS A 1 111 ? -26.270 -32.076 -13.390 1.00 31.17 ? 111 LYS A CE 1 ATOM 901 N NZ . LYS A 1 111 ? -25.337 -31.474 -14.397 1.00 28.11 ? 111 LYS A NZ 1 ATOM 902 N N . PHE A 1 112 ? -28.816 -33.869 -7.228 1.00 8.96 ? 112 PHE A N 1 ATOM 903 C CA . PHE A 1 112 ? -29.152 -35.222 -6.797 1.00 8.75 ? 112 PHE A CA 1 ATOM 904 C C . PHE A 1 112 ? -30.654 -35.462 -6.701 1.00 9.81 ? 112 PHE A C 1 ATOM 905 O O . PHE A 1 112 ? -31.438 -34.518 -6.610 1.00 10.73 ? 112 PHE A O 1 ATOM 906 C CB . PHE A 1 112 ? -28.473 -35.555 -5.464 1.00 9.76 ? 112 PHE A CB 1 ATOM 907 C CG . PHE A 1 112 ? -29.006 -34.777 -4.288 1.00 8.41 ? 112 PHE A CG 1 ATOM 908 C CD1 . PHE A 1 112 ? -30.027 -35.297 -3.499 1.00 10.07 ? 112 PHE A CD1 1 ATOM 909 C CD2 . PHE A 1 112 ? -28.474 -33.539 -3.957 1.00 10.80 ? 112 PHE A CD2 1 ATOM 910 C CE1 . PHE A 1 112 ? -30.513 -34.588 -2.411 1.00 9.48 ? 112 PHE A CE1 1 ATOM 911 C CE2 . PHE A 1 112 ? -28.955 -32.827 -2.874 1.00 11.61 ? 112 PHE A CE2 1 ATOM 912 C CZ . PHE A 1 112 ? -29.978 -33.354 -2.097 1.00 11.51 ? 112 PHE A CZ 1 ATOM 913 N N . THR A 1 113 ? -31.032 -36.739 -6.730 1.00 8.31 ? 113 THR A N 1 ATOM 914 C CA . THR A 1 113 ? -32.405 -37.166 -6.481 1.00 8.36 ? 113 THR A CA 1 ATOM 915 C C . THR A 1 113 ? -32.367 -38.667 -6.187 1.00 9.95 ? 113 THR A C 1 ATOM 916 O O . THR A 1 113 ? -31.462 -39.359 -6.650 1.00 10.75 ? 113 THR A O 1 ATOM 917 C CB . THR A 1 113 ? -33.332 -36.845 -7.677 1.00 11.25 ? 113 THR A CB 1 ATOM 918 O OG1 . THR A 1 113 ? -34.697 -36.783 -7.230 1.00 9.81 ? 113 THR A OG1 1 ATOM 919 C CG2 . THR A 1 113 ? -33.187 -37.888 -8.793 1.00 12.90 ? 113 THR A CG2 1 ATOM 920 N N . PRO A 1 114 ? -33.316 -39.179 -5.385 1.00 10.52 ? 114 PRO A N 1 ATOM 921 C CA . PRO A 1 114 ? -34.418 -38.502 -4.695 1.00 8.25 ? 114 PRO A CA 1 ATOM 922 C C . PRO A 1 114 ? -33.920 -37.603 -3.561 1.00 9.82 ? 114 PRO A C 1 ATOM 923 O O . PRO A 1 114 ? -32.748 -37.693 -3.172 1.00 11.39 ? 114 PRO A O 1 ATOM 924 C CB . PRO A 1 114 ? -35.254 -39.670 -4.154 1.00 11.43 ? 114 PRO A CB 1 ATOM 925 C CG . PRO A 1 114 ? -34.284 -40.772 -3.978 1.00 13.87 ? 114 PRO A CG 1 ATOM 926 C CD . PRO A 1 114 ? -33.287 -40.623 -5.087 1.00 13.23 ? 114 PRO A CD 1 ATOM 927 N N . PRO A 1 115 ? -34.795 -36.715 -3.057 1.00 10.00 ? 115 PRO A N 1 ATOM 928 C CA . PRO A 1 115 ? -34.417 -35.766 -2.004 1.00 11.21 ? 115 PRO A CA 1 ATOM 929 C C . PRO A 1 115 ? -34.381 -36.416 -0.624 1.00 14.09 ? 115 PRO A C 1 ATOM 930 O O . PRO A 1 115 ? -35.222 -36.129 0.234 1.00 14.50 ? 115 PRO A O 1 ATOM 931 C CB . PRO A 1 115 ? -35.524 -34.712 -2.077 1.00 10.98 ? 115 PRO A CB 1 ATOM 932 C CG . PRO A 1 115 ? -36.713 -35.467 -2.600 1.00 11.47 ? 115 PRO A CG 1 ATOM 933 C CD . PRO A 1 115 ? -36.134 -36.421 -3.606 1.00 10.69 ? 115 PRO A CD 1 ATOM 934 N N . VAL A 1 116 ? -33.410 -37.305 -0.435 1.00 14.00 ? 116 VAL A N 1 ATOM 935 C CA . VAL A 1 116 ? -33.136 -37.918 0.861 1.00 12.19 ? 116 VAL A CA 1 ATOM 936 C C . VAL A 1 116 ? -31.625 -38.033 0.983 1.00 13.71 ? 116 VAL A C 1 ATOM 937 O O . VAL A 1 116 ? -30.968 -38.575 0.091 1.00 14.03 ? 116 VAL A O 1 ATOM 938 C CB . VAL A 1 116 ? -33.734 -39.340 0.985 1.00 14.47 ? 116 VAL A CB 1 ATOM 939 C CG1 . VAL A 1 116 ? -33.446 -39.920 2.361 1.00 16.90 ? 116 VAL A CG1 1 ATOM 940 C CG2 . VAL A 1 116 ? -35.240 -39.333 0.731 1.00 17.29 ? 116 VAL A CG2 1 ATOM 941 N N . VAL A 1 117 ? -31.075 -37.519 2.078 1.00 11.79 ? 117 VAL A N 1 ATOM 942 C CA A VAL A 1 117 ? -29.640 -37.573 2.306 0.49 12.66 ? 117 VAL A CA 1 ATOM 943 C CA B VAL A 1 117 ? -29.632 -37.587 2.321 0.51 12.18 ? 117 VAL A CA 1 ATOM 944 C C . VAL A 1 117 ? -29.331 -37.639 3.806 1.00 13.21 ? 117 VAL A C 1 ATOM 945 O O . VAL A 1 117 ? -30.103 -37.145 4.626 1.00 18.11 ? 117 VAL A O 1 ATOM 946 C CB A VAL A 1 117 ? -28.945 -36.350 1.644 0.49 13.41 ? 117 VAL A CB 1 ATOM 947 C CB B VAL A 1 117 ? -28.860 -36.367 1.748 0.51 13.39 ? 117 VAL A CB 1 ATOM 948 C CG1 A VAL A 1 117 ? -29.149 -35.086 2.469 0.49 11.47 ? 117 VAL A CG1 1 ATOM 949 C CG1 B VAL A 1 117 ? -28.568 -36.531 0.265 0.51 12.45 ? 117 VAL A CG1 1 ATOM 950 C CG2 A VAL A 1 117 ? -27.475 -36.612 1.434 0.49 15.61 ? 117 VAL A CG2 1 ATOM 951 C CG2 B VAL A 1 117 ? -29.598 -35.070 2.037 0.51 14.31 ? 117 VAL A CG2 1 ATOM 952 N N . ASN A 1 118 ? -28.206 -38.263 4.154 1.00 12.52 ? 118 ASN A N 1 ATOM 953 C CA . ASN A 1 118 ? -27.670 -38.201 5.509 1.00 17.85 ? 118 ASN A CA 1 ATOM 954 C C . ASN A 1 118 ? -26.372 -37.410 5.419 1.00 17.80 ? 118 ASN A C 1 ATOM 955 O O . ASN A 1 118 ? -25.468 -37.782 4.675 1.00 17.89 ? 118 ASN A O 1 ATOM 956 C CB . ASN A 1 118 ? -27.401 -39.598 6.084 1.00 20.82 ? 118 ASN A CB 1 ATOM 957 C CG . ASN A 1 118 ? -28.672 -40.387 6.332 1.00 26.87 ? 118 ASN A CG 1 ATOM 958 O OD1 . ASN A 1 118 ? -29.711 -39.815 6.663 1.00 26.96 ? 118 ASN A OD1 1 ATOM 959 N ND2 . ASN A 1 118 ? -28.593 -41.712 6.169 1.00 34.06 ? 118 ASN A ND2 1 ATOM 960 N N . VAL A 1 119 ? -26.297 -36.293 6.136 1.00 16.48 ? 119 VAL A N 1 ATOM 961 C CA . VAL A 1 119 ? -25.114 -35.438 6.079 1.00 16.39 ? 119 VAL A CA 1 ATOM 962 C C . VAL A 1 119 ? -24.541 -35.259 7.476 1.00 17.58 ? 119 VAL A C 1 ATOM 963 O O . VAL A 1 119 ? -25.266 -34.917 8.412 1.00 17.86 ? 119 VAL A O 1 ATOM 964 C CB . VAL A 1 119 ? -25.438 -34.058 5.473 1.00 14.37 ? 119 VAL A CB 1 ATOM 965 C CG1 . VAL A 1 119 ? -24.203 -33.166 5.485 1.00 13.58 ? 119 VAL A CG1 1 ATOM 966 C CG2 . VAL A 1 119 ? -25.978 -34.216 4.057 1.00 14.91 ? 119 VAL A CG2 1 ATOM 967 N N . THR A 1 120 ? -23.242 -35.507 7.617 1.00 13.76 ? 120 THR A N 1 ATOM 968 C CA . THR A 1 120 ? -22.574 -35.364 8.908 1.00 15.34 ? 120 THR A CA 1 ATOM 969 C C . THR A 1 120 ? -21.311 -34.525 8.769 1.00 16.55 ? 120 THR A C 1 ATOM 970 O O . THR A 1 120 ? -20.504 -34.748 7.867 1.00 16.27 ? 120 THR A O 1 ATOM 971 C CB . THR A 1 120 ? -22.166 -36.733 9.499 1.00 17.71 ? 120 THR A CB 1 ATOM 972 O OG1 . THR A 1 120 ? -23.274 -37.640 9.453 1.00 18.04 ? 120 THR A OG1 1 ATOM 973 C CG2 . THR A 1 120 ? -21.684 -36.581 10.946 1.00 19.92 ? 120 THR A CG2 1 ATOM 974 N N . TRP A 1 121 ? -21.154 -33.548 9.654 1.00 13.22 ? 121 TRP A N 1 ATOM 975 C CA . TRP A 1 121 ? -19.879 -32.854 9.790 1.00 15.05 ? 121 TRP A CA 1 ATOM 976 C C . TRP A 1 121 ? -18.953 -33.656 10.695 1.00 16.58 ? 121 TRP A C 1 ATOM 977 O O . TRP A 1 121 ? -19.353 -34.107 11.769 1.00 15.60 ? 121 TRP A O 1 ATOM 978 C CB . TRP A 1 121 ? -20.079 -31.472 10.401 1.00 13.73 ? 121 TRP A CB 1 ATOM 979 C CG . TRP A 1 121 ? -20.635 -30.447 9.466 1.00 13.13 ? 121 TRP A CG 1 ATOM 980 C CD1 . TRP A 1 121 ? -21.883 -29.892 9.506 1.00 15.66 ? 121 TRP A CD1 1 ATOM 981 C CD2 . TRP A 1 121 ? -19.958 -29.834 8.360 1.00 12.69 ? 121 TRP A CD2 1 ATOM 982 N NE1 . TRP A 1 121 ? -22.022 -28.973 8.497 1.00 15.50 ? 121 TRP A NE1 1 ATOM 983 C CE2 . TRP A 1 121 ? -20.856 -28.914 7.781 1.00 13.67 ? 121 TRP A CE2 1 ATOM 984 C CE3 . TRP A 1 121 ? -18.676 -29.963 7.813 1.00 16.70 ? 121 TRP A CE3 1 ATOM 985 C CZ2 . TRP A 1 121 ? -20.519 -28.133 6.675 1.00 16.43 ? 121 TRP A CZ2 1 ATOM 986 C CZ3 . TRP A 1 121 ? -18.341 -29.185 6.712 1.00 16.96 ? 121 TRP A CZ3 1 ATOM 987 C CH2 . TRP A 1 121 ? -19.260 -28.282 6.157 1.00 16.78 ? 121 TRP A CH2 1 ATOM 988 N N . LEU A 1 122 ? -17.709 -33.827 10.260 1.00 12.81 ? 122 LEU A N 1 ATOM 989 C CA . LEU A 1 122 ? -16.718 -34.520 11.063 1.00 13.48 ? 122 LEU A CA 1 ATOM 990 C C . LEU A 1 122 ? -15.570 -33.574 11.356 1.00 14.02 ? 122 LEU A C 1 ATOM 991 O O . LEU A 1 122 ? -15.073 -32.907 10.451 1.00 14.28 ? 122 LEU A O 1 ATOM 992 C CB . LEU A 1 122 ? -16.183 -35.747 10.317 1.00 15.29 ? 122 LEU A CB 1 ATOM 993 C CG . LEU A 1 122 ? -17.184 -36.838 9.949 1.00 17.50 ? 122 LEU A CG 1 ATOM 994 C CD1 . LEU A 1 122 ? -16.559 -37.815 8.963 1.00 16.67 ? 122 LEU A CD1 1 ATOM 995 C CD2 . LEU A 1 122 ? -17.650 -37.564 11.205 1.00 21.83 ? 122 LEU A CD2 1 ATOM 996 N N . ARG A 1 123 ? -15.165 -33.509 12.619 1.00 14.90 ? 123 ARG A N 1 ATOM 997 C CA . ARG A 1 123 ? -13.976 -32.763 13.012 1.00 16.90 ? 123 ARG A CA 1 ATOM 998 C C . ARG A 1 123 ? -13.005 -33.764 13.598 1.00 17.82 ? 123 ARG A C 1 ATOM 999 O O . ARG A 1 123 ? -13.316 -34.411 14.597 1.00 18.18 ? 123 ARG A O 1 ATOM 1000 C CB . ARG A 1 123 ? -14.295 -31.698 14.060 1.00 20.60 ? 123 ARG A CB 1 ATOM 1001 C CG . ARG A 1 123 ? -13.049 -31.018 14.625 1.00 22.01 ? 123 ARG A CG 1 ATOM 1002 C CD . ARG A 1 123 ? -13.334 -30.219 15.899 1.00 30.48 ? 123 ARG A CD 1 ATOM 1003 N NE . ARG A 1 123 ? -13.882 -28.898 15.617 1.00 39.85 ? 123 ARG A NE 1 ATOM 1004 C CZ . ARG A 1 123 ? -15.124 -28.520 15.904 1.00 44.39 ? 123 ARG A CZ 1 ATOM 1005 N NH1 . ARG A 1 123 ? -15.527 -27.290 15.604 1.00 42.24 ? 123 ARG A NH1 1 ATOM 1006 N NH2 . ARG A 1 123 ? -15.959 -29.364 16.496 1.00 47.55 ? 123 ARG A NH2 1 ATOM 1007 N N . ASN A 1 124 ? -11.838 -33.891 12.974 1.00 17.28 ? 124 ASN A N 1 ATOM 1008 C CA . ASN A 1 124 ? -10.855 -34.898 13.366 1.00 17.86 ? 124 ASN A CA 1 ATOM 1009 C C . ASN A 1 124 ? -11.467 -36.295 13.448 1.00 17.54 ? 124 ASN A C 1 ATOM 1010 O O . ASN A 1 124 ? -11.149 -37.075 14.347 1.00 19.23 ? 124 ASN A O 1 ATOM 1011 C CB . ASN A 1 124 ? -10.184 -34.506 14.680 1.00 21.62 ? 124 ASN A CB 1 ATOM 1012 C CG . ASN A 1 124 ? -9.541 -33.135 14.606 1.00 22.73 ? 124 ASN A CG 1 ATOM 1013 O OD1 . ASN A 1 124 ? -8.997 -32.755 13.570 1.00 20.75 ? 124 ASN A OD1 1 ATOM 1014 N ND2 . ASN A 1 124 ? -9.610 -32.383 15.696 1.00 27.83 ? 124 ASN A ND2 1 ATOM 1015 N N . GLY A 1 125 ? -12.359 -36.590 12.507 1.00 17.67 ? 125 GLY A N 1 ATOM 1016 C CA . GLY A 1 125 ? -12.952 -37.913 12.390 1.00 19.85 ? 125 GLY A CA 1 ATOM 1017 C C . GLY A 1 125 ? -14.130 -38.182 13.309 1.00 19.83 ? 125 GLY A C 1 ATOM 1018 O O . GLY A 1 125 ? -14.644 -39.300 13.338 1.00 18.83 ? 125 GLY A O 1 ATOM 1019 N N . LYS A 1 126 ? -14.561 -37.166 14.055 1.00 20.67 ? 126 LYS A N 1 ATOM 1020 C CA . LYS A 1 126 ? -15.671 -37.314 14.997 1.00 17.40 ? 126 LYS A CA 1 ATOM 1021 C C . LYS A 1 126 ? -16.836 -36.404 14.629 1.00 19.62 ? 126 LYS A C 1 ATOM 1022 O O . LYS A 1 126 ? -16.631 -35.255 14.238 1.00 18.49 ? 126 LYS A O 1 ATOM 1023 C CB . LYS A 1 126 ? -15.221 -36.997 16.425 1.00 18.67 ? 126 LYS A CB 1 ATOM 1024 C CG . LYS A 1 126 ? -14.057 -37.849 16.929 1.00 19.39 ? 126 LYS A CG 1 ATOM 1025 C CD . LYS A 1 126 ? -13.868 -37.670 18.423 1.00 28.11 ? 126 LYS A CD 1 ATOM 1026 C CE . LYS A 1 126 ? -12.678 -38.464 18.935 1.00 33.04 ? 126 LYS A CE 1 ATOM 1027 N NZ . LYS A 1 126 ? -12.606 -38.428 20.425 1.00 34.24 ? 126 LYS A NZ 1 ATOM 1028 N N . PRO A 1 127 ? -18.069 -36.911 14.771 1.00 18.45 ? 127 PRO A N 1 ATOM 1029 C CA . PRO A 1 127 ? -19.246 -36.122 14.388 1.00 21.23 ? 127 PRO A CA 1 ATOM 1030 C C . PRO A 1 127 ? -19.390 -34.856 15.230 1.00 17.41 ? 127 PRO A C 1 ATOM 1031 O O . PRO A 1 127 ? -19.137 -34.876 16.437 1.00 20.80 ? 127 PRO A O 1 ATOM 1032 C CB . PRO A 1 127 ? -20.415 -37.078 14.650 1.00 23.53 ? 127 PRO A CB 1 ATOM 1033 C CG . PRO A 1 127 ? -19.798 -38.451 14.638 1.00 24.48 ? 127 PRO A CG 1 ATOM 1034 C CD . PRO A 1 127 ? -18.427 -38.270 15.208 1.00 19.10 ? 127 PRO A CD 1 ATOM 1035 N N . VAL A 1 128 ? -19.774 -33.767 14.572 1.00 25.56 ? 128 VAL A N 1 ATOM 1036 C CA . VAL A 1 128 ? -20.023 -32.487 15.221 1.00 29.61 ? 128 VAL A CA 1 ATOM 1037 C C . VAL A 1 128 ? -21.498 -32.153 15.090 1.00 30.06 ? 128 VAL A C 1 ATOM 1038 O O . VAL A 1 128 ? -22.077 -32.308 14.016 1.00 28.92 ? 128 VAL A O 1 ATOM 1039 C CB . VAL A 1 128 ? -19.260 -31.352 14.525 1.00 33.16 ? 128 VAL A CB 1 ATOM 1040 C CG1 . VAL A 1 128 ? -19.421 -30.046 15.300 1.00 36.15 ? 128 VAL A CG1 1 ATOM 1041 C CG2 . VAL A 1 128 ? -17.806 -31.709 14.367 1.00 34.29 ? 128 VAL A CG2 1 ATOM 1042 N N . THR A 1 129 ? -22.108 -31.689 16.175 1.00 34.77 ? 129 THR A N 1 ATOM 1043 C CA . THR A 1 129 ? -23.503 -31.262 16.123 1.00 40.40 ? 129 THR A CA 1 ATOM 1044 C C . THR A 1 129 ? -23.688 -29.853 16.679 1.00 43.39 ? 129 THR A C 1 ATOM 1045 O O . THR A 1 129 ? -24.722 -29.222 16.466 1.00 44.43 ? 129 THR A O 1 ATOM 1046 C CB . THR A 1 129 ? -24.424 -32.230 16.882 1.00 41.42 ? 129 THR A CB 1 ATOM 1047 O OG1 . THR A 1 129 ? -23.981 -32.347 18.238 1.00 44.72 ? 129 THR A OG1 1 ATOM 1048 C CG2 . THR A 1 129 ? -24.409 -33.603 16.230 1.00 40.66 ? 129 THR A CG2 1 ATOM 1049 N N . THR A 1 130 ? -22.681 -29.357 17.386 1.00 43.12 ? 130 THR A N 1 ATOM 1050 C CA . THR A 1 130 ? -22.782 -28.044 18.008 1.00 42.32 ? 130 THR A CA 1 ATOM 1051 C C . THR A 1 130 ? -22.645 -26.917 16.991 1.00 38.02 ? 130 THR A C 1 ATOM 1052 O O . THR A 1 130 ? -21.629 -26.799 16.304 1.00 37.33 ? 130 THR A O 1 ATOM 1053 C CB . THR A 1 130 ? -21.743 -27.864 19.130 1.00 45.03 ? 130 THR A CB 1 ATOM 1054 O OG1 . THR A 1 130 ? -22.045 -28.763 20.205 1.00 45.52 ? 130 THR A OG1 1 ATOM 1055 C CG2 . THR A 1 130 ? -21.765 -26.434 19.652 1.00 44.98 ? 130 THR A CG2 1 ATOM 1056 N N . GLY A 1 131 ? -23.689 -26.100 16.893 1.00 31.74 ? 131 GLY A N 1 ATOM 1057 C CA . GLY A 1 131 ? -23.662 -24.917 16.055 1.00 28.45 ? 131 GLY A CA 1 ATOM 1058 C C . GLY A 1 131 ? -24.088 -25.155 14.620 1.00 28.96 ? 131 GLY A C 1 ATOM 1059 O O . GLY A 1 131 ? -24.249 -24.199 13.857 1.00 30.94 ? 131 GLY A O 1 ATOM 1060 N N . VAL A 1 132 ? -24.291 -26.416 14.249 1.00 20.48 ? 132 VAL A N 1 ATOM 1061 C CA . VAL A 1 132 ? -24.590 -26.742 12.854 1.00 20.55 ? 132 VAL A CA 1 ATOM 1062 C C . VAL A 1 132 ? -26.005 -26.356 12.433 1.00 20.12 ? 132 VAL A C 1 ATOM 1063 O O . VAL A 1 132 ? -26.913 -26.249 13.258 1.00 21.14 ? 132 VAL A O 1 ATOM 1064 C CB . VAL A 1 132 ? -24.364 -28.239 12.530 1.00 21.84 ? 132 VAL A CB 1 ATOM 1065 C CG1 . VAL A 1 132 ? -22.924 -28.637 12.802 1.00 21.63 ? 132 VAL A CG1 1 ATOM 1066 C CG2 . VAL A 1 132 ? -25.325 -29.109 13.317 1.00 27.11 ? 132 VAL A CG2 1 ATOM 1067 N N . SER A 1 133 ? -26.176 -26.136 11.136 1.00 18.02 ? 133 SER A N 1 ATOM 1068 C CA . SER A 1 133 ? -27.482 -25.826 10.574 1.00 18.92 ? 133 SER A CA 1 ATOM 1069 C C . SER A 1 133 ? -27.546 -26.331 9.141 1.00 14.67 ? 133 SER A C 1 ATOM 1070 O O . SER A 1 133 ? -26.534 -26.743 8.569 1.00 15.45 ? 133 SER A O 1 ATOM 1071 C CB . SER A 1 133 ? -27.773 -24.322 10.643 1.00 20.28 ? 133 SER A CB 1 ATOM 1072 O OG . SER A 1 133 ? -26.830 -23.575 9.891 1.00 21.58 ? 133 SER A OG 1 ATOM 1073 N N . GLU A 1 134 ? -28.737 -26.316 8.558 1.00 14.05 ? 134 GLU A N 1 ATOM 1074 C CA . GLU A 1 134 ? -28.913 -26.851 7.219 1.00 12.68 ? 134 GLU A CA 1 ATOM 1075 C C . GLU A 1 134 ? -30.142 -26.257 6.560 1.00 15.86 ? 134 GLU A C 1 ATOM 1076 O O . GLU A 1 134 ? -31.016 -25.710 7.229 1.00 17.71 ? 134 GLU A O 1 ATOM 1077 C CB . GLU A 1 134 ? -29.065 -28.373 7.275 1.00 17.15 ? 134 GLU A CB 1 ATOM 1078 C CG . GLU A 1 134 ? -30.363 -28.828 7.940 1.00 19.20 ? 134 GLU A CG 1 ATOM 1079 C CD . GLU A 1 134 ? -30.423 -30.330 8.150 1.00 23.22 ? 134 GLU A CD 1 ATOM 1080 O OE1 . GLU A 1 134 ? -29.734 -30.828 9.062 1.00 27.13 ? 134 GLU A OE1 1 ATOM 1081 O OE2 . GLU A 1 134 ? -31.160 -31.012 7.407 1.00 26.73 ? 134 GLU A OE2 1 ATOM 1082 N N . THR A 1 135 ? -30.206 -26.381 5.243 1.00 11.67 ? 135 THR A N 1 ATOM 1083 C CA . THR A 1 135 ? -31.380 -25.963 4.502 1.00 11.59 ? 135 THR A CA 1 ATOM 1084 C C . THR A 1 135 ? -32.212 -27.191 4.189 1.00 12.52 ? 135 THR A C 1 ATOM 1085 O O . THR A 1 135 ? -31.739 -28.321 4.314 1.00 14.80 ? 135 THR A O 1 ATOM 1086 C CB . THR A 1 135 ? -31.012 -25.301 3.163 1.00 13.00 ? 135 THR A CB 1 ATOM 1087 O OG1 . THR A 1 135 ? -30.481 -26.286 2.268 1.00 11.70 ? 135 THR A OG1 1 ATOM 1088 C CG2 . THR A 1 135 ? -29.997 -24.187 3.368 1.00 14.51 ? 135 THR A CG2 1 ATOM 1089 N N . VAL A 1 136 ? -33.453 -26.965 3.773 1.00 13.28 ? 136 VAL A N 1 ATOM 1090 C CA . VAL A 1 136 ? -34.265 -28.039 3.229 1.00 12.17 ? 136 VAL A CA 1 ATOM 1091 C C . VAL A 1 136 ? -33.772 -28.350 1.816 1.00 14.58 ? 136 VAL A C 1 ATOM 1092 O O . VAL A 1 136 ? -32.777 -27.784 1.354 1.00 15.18 ? 136 VAL A O 1 ATOM 1093 C CB . VAL A 1 136 ? -35.765 -27.669 3.203 1.00 15.03 ? 136 VAL A CB 1 ATOM 1094 C CG1 . VAL A 1 136 ? -36.269 -27.423 4.609 1.00 15.53 ? 136 VAL A CG1 1 ATOM 1095 C CG2 . VAL A 1 136 ? -36.008 -26.446 2.328 1.00 16.51 ? 136 VAL A CG2 1 ATOM 1096 N N . PHE A 1 137 ? -34.453 -29.257 1.129 1.00 14.51 ? 137 PHE A N 1 ATOM 1097 C CA . PHE A 1 137 ? -34.063 -29.603 -0.234 1.00 11.66 ? 137 PHE A CA 1 ATOM 1098 C C . PHE A 1 137 ? -34.522 -28.517 -1.188 1.00 18.23 ? 137 PHE A C 1 ATOM 1099 O O . PHE A 1 137 ? -35.692 -28.159 -1.210 1.00 21.54 ? 137 PHE A O 1 ATOM 1100 C CB . PHE A 1 137 ? -34.644 -30.963 -0.628 1.00 11.62 ? 137 PHE A CB 1 ATOM 1101 C CG . PHE A 1 137 ? -34.136 -32.096 0.212 1.00 10.22 ? 137 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 137 ? -34.803 -32.482 1.363 1.00 15.69 ? 137 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 137 ? -32.975 -32.763 -0.137 1.00 13.83 ? 137 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 137 ? -34.327 -33.521 2.146 1.00 15.81 ? 137 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 137 ? -32.493 -33.801 0.638 1.00 14.56 ? 137 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 137 ? -33.166 -34.183 1.779 1.00 14.57 ? 137 PHE A CZ 1 ATOM 1107 N N . LEU A 1 138 ? -33.597 -27.986 -1.975 1.00 13.48 ? 138 LEU A N 1 ATOM 1108 C CA . LEU A 1 138 ? -33.896 -26.842 -2.824 1.00 12.73 ? 138 LEU A CA 1 ATOM 1109 C C . LEU A 1 138 ? -33.992 -27.266 -4.283 1.00 9.82 ? 138 LEU A C 1 ATOM 1110 O O . LEU A 1 138 ? -33.241 -28.132 -4.736 1.00 11.23 ? 138 LEU A O 1 ATOM 1111 C CB . LEU A 1 138 ? -32.820 -25.771 -2.637 1.00 10.98 ? 138 LEU A CB 1 ATOM 1112 C CG . LEU A 1 138 ? -32.547 -25.403 -1.173 1.00 15.75 ? 138 LEU A CG 1 ATOM 1113 C CD1 . LEU A 1 138 ? -31.320 -24.512 -1.065 1.00 17.97 ? 138 LEU A CD1 1 ATOM 1114 C CD2 . LEU A 1 138 ? -33.750 -24.733 -0.537 1.00 17.55 ? 138 LEU A CD2 1 ATOM 1115 N N . PRO A 1 139 ? -34.929 -26.667 -5.031 1.00 10.39 ? 139 PRO A N 1 ATOM 1116 C CA . PRO A 1 139 ? -35.173 -27.111 -6.405 1.00 10.12 ? 139 PRO A CA 1 ATOM 1117 C C . PRO A 1 139 ? -34.118 -26.622 -7.392 1.00 11.98 ? 139 PRO A C 1 ATOM 1118 O O . PRO A 1 139 ? -33.574 -25.525 -7.238 1.00 14.21 ? 139 PRO A O 1 ATOM 1119 C CB . PRO A 1 139 ? -36.523 -26.462 -6.734 1.00 12.23 ? 139 PRO A CB 1 ATOM 1120 C CG . PRO A 1 139 ? -36.523 -25.206 -5.917 1.00 15.34 ? 139 PRO A CG 1 ATOM 1121 C CD . PRO A 1 139 ? -35.873 -25.613 -4.614 1.00 14.54 ? 139 PRO A CD 1 ATOM 1122 N N . ARG A 1 140 ? -33.836 -27.444 -8.394 1.00 10.42 ? 140 ARG A N 1 ATOM 1123 C CA . ARG A 1 140 ? -32.975 -27.055 -9.507 1.00 12.21 ? 140 ARG A CA 1 ATOM 1124 C C . ARG A 1 140 ? -33.843 -26.990 -10.755 1.00 12.65 ? 140 ARG A C 1 ATOM 1125 O O . ARG A 1 140 ? -34.895 -27.634 -10.821 1.00 11.44 ? 140 ARG A O 1 ATOM 1126 C CB . ARG A 1 140 ? -31.851 -28.086 -9.715 1.00 10.15 ? 140 ARG A CB 1 ATOM 1127 C CG . ARG A 1 140 ? -30.812 -28.138 -8.601 1.00 11.70 ? 140 ARG A CG 1 ATOM 1128 C CD . ARG A 1 140 ? -29.795 -29.269 -8.832 1.00 11.07 ? 140 ARG A CD 1 ATOM 1129 N NE . ARG A 1 140 ? -29.392 -29.350 -10.237 1.00 9.89 ? 140 ARG A NE 1 ATOM 1130 C CZ . ARG A 1 140 ? -28.393 -28.659 -10.776 1.00 13.07 ? 140 ARG A CZ 1 ATOM 1131 N NH1 . ARG A 1 140 ? -27.652 -27.851 -10.024 1.00 15.54 ? 140 ARG A NH1 1 ATOM 1132 N NH2 . ARG A 1 140 ? -28.123 -28.788 -12.068 1.00 14.97 ? 140 ARG A NH2 1 ATOM 1133 N N . GLU A 1 141 ? -33.392 -26.233 -11.750 1.00 10.01 ? 141 GLU A N 1 ATOM 1134 C CA . GLU A 1 141 ? -34.115 -26.100 -13.007 1.00 10.35 ? 141 GLU A CA 1 ATOM 1135 C C . GLU A 1 141 ? -34.165 -27.393 -13.821 1.00 10.78 ? 141 GLU A C 1 ATOM 1136 O O . GLU A 1 141 ? -35.014 -27.541 -14.704 1.00 13.07 ? 141 GLU A O 1 ATOM 1137 C CB . GLU A 1 141 ? -33.523 -24.957 -13.833 1.00 16.43 ? 141 GLU A CB 1 ATOM 1138 C CG . GLU A 1 141 ? -33.659 -23.608 -13.149 1.00 24.32 ? 141 GLU A CG 1 ATOM 1139 C CD . GLU A 1 141 ? -32.950 -22.492 -13.894 1.00 35.70 ? 141 GLU A CD 1 ATOM 1140 O OE1 . GLU A 1 141 ? -33.269 -22.271 -15.080 1.00 41.03 ? 141 GLU A OE1 1 ATOM 1141 O OE2 . GLU A 1 141 ? -32.071 -21.840 -13.289 1.00 42.48 ? 141 GLU A OE2 1 ATOM 1142 N N . ASP A 1 142 ? -33.275 -28.332 -13.515 1.00 11.34 ? 142 ASP A N 1 ATOM 1143 C CA . ASP A 1 142 ? -33.331 -29.652 -14.136 1.00 10.74 ? 142 ASP A CA 1 ATOM 1144 C C . ASP A 1 142 ? -34.146 -30.651 -13.307 1.00 10.04 ? 142 ASP A C 1 ATOM 1145 O O . ASP A 1 142 ? -34.201 -31.844 -13.634 1.00 11.96 ? 142 ASP A O 1 ATOM 1146 C CB . ASP A 1 142 ? -31.927 -30.196 -14.475 1.00 10.15 ? 142 ASP A CB 1 ATOM 1147 C CG . ASP A 1 142 ? -31.018 -30.337 -13.258 1.00 13.41 ? 142 ASP A CG 1 ATOM 1148 O OD1 . ASP A 1 142 ? -31.497 -30.249 -12.109 1.00 10.47 ? 142 ASP A OD1 1 ATOM 1149 O OD2 . ASP A 1 142 ? -29.800 -30.570 -13.466 1.00 13.49 ? 142 ASP A OD2 1 ATOM 1150 N N . HIS A 1 143 ? -34.762 -30.142 -12.241 1.00 8.06 ? 143 HIS A N 1 ATOM 1151 C CA . HIS A 1 143 ? -35.694 -30.892 -11.392 1.00 8.19 ? 143 HIS A CA 1 ATOM 1152 C C . HIS A 1 143 ? -35.041 -31.939 -10.499 1.00 9.53 ? 143 HIS A C 1 ATOM 1153 O O . HIS A 1 143 ? -35.714 -32.777 -9.901 1.00 9.06 ? 143 HIS A O 1 ATOM 1154 C CB . HIS A 1 143 ? -36.855 -31.422 -12.234 1.00 11.01 ? 143 HIS A CB 1 ATOM 1155 C CG . HIS A 1 143 ? -37.330 -30.406 -13.223 1.00 10.97 ? 143 HIS A CG 1 ATOM 1156 N ND1 . HIS A 1 143 ? -37.719 -29.144 -12.838 1.00 9.04 ? 143 HIS A ND1 1 ATOM 1157 C CD2 . HIS A 1 143 ? -37.370 -30.423 -14.576 1.00 10.83 ? 143 HIS A CD2 1 ATOM 1158 C CE1 . HIS A 1 143 ? -38.037 -28.439 -13.912 1.00 8.98 ? 143 HIS A CE1 1 ATOM 1159 N NE2 . HIS A 1 143 ? -37.829 -29.191 -14.978 1.00 11.23 ? 143 HIS A NE2 1 ATOM 1160 N N . LEU A 1 144 ? -33.719 -31.849 -10.401 1.00 6.65 ? 144 LEU A N 1 ATOM 1161 C CA . LEU A 1 144 ? -32.982 -32.496 -9.320 1.00 10.00 ? 144 LEU A CA 1 ATOM 1162 C C . LEU A 1 144 ? -32.987 -31.548 -8.125 1.00 8.36 ? 144 LEU A C 1 ATOM 1163 O O . LEU A 1 144 ? -33.734 -30.564 -8.125 1.00 11.17 ? 144 LEU A O 1 ATOM 1164 C CB . LEU A 1 144 ? -31.557 -32.800 -9.768 1.00 9.97 ? 144 LEU A CB 1 ATOM 1165 C CG . LEU A 1 144 ? -31.460 -33.687 -11.012 1.00 8.99 ? 144 LEU A CG 1 ATOM 1166 C CD1 . LEU A 1 144 ? -30.011 -33.808 -11.448 1.00 14.27 ? 144 LEU A CD1 1 ATOM 1167 C CD2 . LEU A 1 144 ? -32.066 -35.072 -10.759 1.00 11.54 ? 144 LEU A CD2 1 ATOM 1168 N N . PHE A 1 145 ? -32.189 -31.845 -7.099 1.00 8.65 ? 145 PHE A N 1 ATOM 1169 C CA . PHE A 1 145 ? -32.201 -31.043 -5.878 1.00 9.29 ? 145 PHE A CA 1 ATOM 1170 C C . PHE A 1 145 ? -30.812 -30.604 -5.452 1.00 11.22 ? 145 PHE A C 1 ATOM 1171 O O . PHE A 1 145 ? -29.807 -31.142 -5.911 1.00 10.42 ? 145 PHE A O 1 ATOM 1172 C CB . PHE A 1 145 ? -32.856 -31.812 -4.727 1.00 9.79 ? 145 PHE A CB 1 ATOM 1173 C CG . PHE A 1 145 ? -34.279 -32.166 -4.989 1.00 8.80 ? 145 PHE A CG 1 ATOM 1174 C CD1 . PHE A 1 145 ? -34.605 -33.351 -5.627 1.00 8.84 ? 145 PHE A CD1 1 ATOM 1175 C CD2 . PHE A 1 145 ? -35.295 -31.300 -4.622 1.00 13.39 ? 145 PHE A CD2 1 ATOM 1176 C CE1 . PHE A 1 145 ? -35.921 -33.673 -5.888 1.00 9.57 ? 145 PHE A CE1 1 ATOM 1177 C CE2 . PHE A 1 145 ? -36.612 -31.614 -4.881 1.00 14.40 ? 145 PHE A CE2 1 ATOM 1178 C CZ . PHE A 1 145 ? -36.926 -32.798 -5.510 1.00 12.00 ? 145 PHE A CZ 1 ATOM 1179 N N . ARG A 1 146 ? -30.774 -29.613 -4.570 1.00 11.67 ? 146 ARG A N 1 ATOM 1180 C CA . ARG A 1 146 ? -29.540 -29.237 -3.900 1.00 12.11 ? 146 ARG A CA 1 ATOM 1181 C C . ARG A 1 146 ? -29.841 -28.900 -2.445 1.00 11.68 ? 146 ARG A C 1 ATOM 1182 O O . ARG A 1 146 ? -31.009 -28.797 -2.051 1.00 11.48 ? 146 ARG A O 1 ATOM 1183 C CB . ARG A 1 146 ? -28.843 -28.075 -4.606 1.00 13.04 ? 146 ARG A CB 1 ATOM 1184 C CG . ARG A 1 146 ? -29.696 -26.845 -4.744 1.00 16.23 ? 146 ARG A CG 1 ATOM 1185 C CD . ARG A 1 146 ? -29.090 -25.831 -5.706 1.00 24.76 ? 146 ARG A CD 1 ATOM 1186 N NE . ARG A 1 146 ? -30.124 -24.929 -6.202 1.00 33.59 ? 146 ARG A NE 1 ATOM 1187 C CZ . ARG A 1 146 ? -30.508 -23.816 -5.584 1.00 48.54 ? 146 ARG A CZ 1 ATOM 1188 N NH1 . ARG A 1 146 ? -31.466 -23.063 -6.108 1.00 55.54 ? 146 ARG A NH1 1 ATOM 1189 N NH2 . ARG A 1 146 ? -29.934 -23.454 -4.445 1.00 50.19 ? 146 ARG A NH2 1 ATOM 1190 N N . LYS A 1 147 ? -28.789 -28.735 -1.650 1.00 9.36 ? 147 LYS A N 1 ATOM 1191 C CA . LYS A 1 147 ? -28.933 -28.604 -0.208 1.00 8.46 ? 147 LYS A CA 1 ATOM 1192 C C . LYS A 1 147 ? -27.635 -28.055 0.358 1.00 9.80 ? 147 LYS A C 1 ATOM 1193 O O . LYS A 1 147 ? -26.568 -28.353 -0.167 1.00 10.65 ? 147 LYS A O 1 ATOM 1194 C CB . LYS A 1 147 ? -29.210 -29.985 0.397 1.00 10.10 ? 147 LYS A CB 1 ATOM 1195 C CG . LYS A 1 147 ? -29.780 -29.983 1.809 1.00 14.70 ? 147 LYS A CG 1 ATOM 1196 C CD . LYS A 1 147 ? -30.016 -31.423 2.284 1.00 13.15 ? 147 LYS A CD 1 ATOM 1197 C CE . LYS A 1 147 ? -31.025 -31.492 3.428 1.00 16.15 ? 147 LYS A CE 1 ATOM 1198 N NZ . LYS A 1 147 ? -30.541 -30.813 4.668 1.00 16.28 ? 147 LYS A NZ 1 ATOM 1199 N N . PHE A 1 148 ? -27.732 -27.253 1.415 1.00 9.05 ? 148 PHE A N 1 ATOM 1200 C CA . PHE A 1 148 ? -26.545 -26.698 2.077 1.00 9.53 ? 148 PHE A CA 1 ATOM 1201 C C . PHE A 1 148 ? -26.515 -27.094 3.545 1.00 14.05 ? 148 PHE A C 1 ATOM 1202 O O . PHE A 1 148 ? -27.548 -27.078 4.215 1.00 11.90 ? 148 PHE A O 1 ATOM 1203 C CB . PHE A 1 148 ? -26.548 -25.167 2.011 1.00 9.50 ? 148 PHE A CB 1 ATOM 1204 C CG . PHE A 1 148 ? -26.506 -24.598 0.618 1.00 13.02 ? 148 PHE A CG 1 ATOM 1205 C CD1 . PHE A 1 148 ? -27.651 -24.543 -0.169 1.00 13.15 ? 148 PHE A CD1 1 ATOM 1206 C CD2 . PHE A 1 148 ? -25.326 -24.070 0.114 1.00 14.29 ? 148 PHE A CD2 1 ATOM 1207 C CE1 . PHE A 1 148 ? -27.612 -23.992 -1.442 1.00 13.96 ? 148 PHE A CE1 1 ATOM 1208 C CE2 . PHE A 1 148 ? -25.279 -23.520 -1.154 1.00 14.77 ? 148 PHE A CE2 1 ATOM 1209 C CZ . PHE A 1 148 ? -26.420 -23.483 -1.934 1.00 14.47 ? 148 PHE A CZ 1 ATOM 1210 N N . HIS A 1 149 ? -25.327 -27.430 4.052 1.00 10.45 ? 149 HIS A N 1 ATOM 1211 C CA . HIS A 1 149 ? -25.122 -27.610 5.483 1.00 11.33 ? 149 HIS A CA 1 ATOM 1212 C C . HIS A 1 149 ? -24.032 -26.655 5.952 1.00 12.31 ? 149 HIS A C 1 ATOM 1213 O O . HIS A 1 149 ? -23.120 -26.339 5.191 1.00 12.58 ? 149 HIS A O 1 ATOM 1214 C CB . HIS A 1 149 ? -24.773 -29.063 5.825 1.00 12.40 ? 149 HIS A CB 1 ATOM 1215 C CG . HIS A 1 149 ? -25.953 -29.986 5.782 1.00 12.71 ? 149 HIS A CG 1 ATOM 1216 N ND1 . HIS A 1 149 ? -26.415 -30.654 6.893 1.00 14.62 ? 149 HIS A ND1 1 ATOM 1217 C CD2 . HIS A 1 149 ? -26.772 -30.336 4.760 1.00 14.06 ? 149 HIS A CD2 1 ATOM 1218 C CE1 . HIS A 1 149 ? -27.469 -31.381 6.559 1.00 17.45 ? 149 HIS A CE1 1 ATOM 1219 N NE2 . HIS A 1 149 ? -27.704 -31.206 5.272 1.00 14.52 ? 149 HIS A NE2 1 ATOM 1220 N N . TYR A 1 150 ? -24.143 -26.177 7.189 1.00 10.44 ? 150 TYR A N 1 ATOM 1221 C CA . TYR A 1 150 ? -23.226 -25.149 7.686 1.00 12.51 ? 150 TYR A CA 1 ATOM 1222 C C . TYR A 1 150 ? -22.584 -25.508 9.017 1.00 13.46 ? 150 TYR A C 1 ATOM 1223 O O . TYR A 1 150 ? -23.234 -26.065 9.904 1.00 14.20 ? 150 TYR A O 1 ATOM 1224 C CB . TYR A 1 150 ? -23.967 -23.820 7.850 1.00 14.35 ? 150 TYR A CB 1 ATOM 1225 C CG . TYR A 1 150 ? -24.658 -23.329 6.600 1.00 13.14 ? 150 TYR A CG 1 ATOM 1226 C CD1 . TYR A 1 150 ? -26.025 -23.514 6.419 1.00 12.35 ? 150 TYR A CD1 1 ATOM 1227 C CD2 . TYR A 1 150 ? -23.950 -22.659 5.608 1.00 14.55 ? 150 TYR A CD2 1 ATOM 1228 C CE1 . TYR A 1 150 ? -26.666 -23.060 5.278 1.00 13.05 ? 150 TYR A CE1 1 ATOM 1229 C CE2 . TYR A 1 150 ? -24.583 -22.198 4.463 1.00 15.77 ? 150 TYR A CE2 1 ATOM 1230 C CZ . TYR A 1 150 ? -25.942 -22.398 4.303 1.00 13.38 ? 150 TYR A CZ 1 ATOM 1231 O OH . TYR A 1 150 ? -26.570 -21.939 3.167 1.00 12.99 ? 150 TYR A OH 1 ATOM 1232 N N . LEU A 1 151 ? -21.311 -25.147 9.162 1.00 13.42 ? 151 LEU A N 1 ATOM 1233 C CA . LEU A 1 151 ? -20.600 -25.344 10.417 1.00 14.26 ? 151 LEU A CA 1 ATOM 1234 C C . LEU A 1 151 ? -19.716 -24.149 10.752 1.00 14.45 ? 151 LEU A C 1 ATOM 1235 O O . LEU A 1 151 ? -18.657 -23.963 10.150 1.00 16.75 ? 151 LEU A O 1 ATOM 1236 C CB . LEU A 1 151 ? -19.760 -26.628 10.359 1.00 15.57 ? 151 LEU A CB 1 ATOM 1237 C CG . LEU A 1 151 ? -18.853 -26.907 11.564 1.00 20.02 ? 151 LEU A CG 1 ATOM 1238 C CD1 . LEU A 1 151 ? -19.628 -26.867 12.874 1.00 20.43 ? 151 LEU A CD1 1 ATOM 1239 C CD2 . LEU A 1 151 ? -18.140 -28.246 11.395 1.00 19.47 ? 151 LEU A CD2 1 ATOM 1240 N N . PRO A 1 152 ? -20.161 -23.317 11.702 1.00 17.79 ? 152 PRO A N 1 ATOM 1241 C CA . PRO A 1 152 ? -19.322 -22.219 12.184 1.00 18.48 ? 152 PRO A CA 1 ATOM 1242 C C . PRO A 1 152 ? -18.103 -22.798 12.883 1.00 18.24 ? 152 PRO A C 1 ATOM 1243 O O . PRO A 1 152 ? -18.241 -23.803 13.578 1.00 19.87 ? 152 PRO A O 1 ATOM 1244 C CB . PRO A 1 152 ? -20.224 -21.509 13.198 1.00 20.04 ? 152 PRO A CB 1 ATOM 1245 C CG . PRO A 1 152 ? -21.615 -21.850 12.766 1.00 23.21 ? 152 PRO A CG 1 ATOM 1246 C CD . PRO A 1 152 ? -21.525 -23.261 12.253 1.00 19.21 ? 152 PRO A CD 1 ATOM 1247 N N . PHE A 1 153 ? -16.933 -22.193 12.701 1.00 17.45 ? 153 PHE A N 1 ATOM 1248 C CA . PHE A 1 153 ? -15.717 -22.749 13.292 1.00 17.00 ? 153 PHE A CA 1 ATOM 1249 C C . PHE A 1 153 ? -14.613 -21.720 13.478 1.00 19.19 ? 153 PHE A C 1 ATOM 1250 O O . PHE A 1 153 ? -14.608 -20.664 12.841 1.00 19.74 ? 153 PHE A O 1 ATOM 1251 C CB . PHE A 1 153 ? -15.197 -23.937 12.461 1.00 17.40 ? 153 PHE A CB 1 ATOM 1252 C CG . PHE A 1 153 ? -14.459 -23.536 11.212 1.00 16.42 ? 153 PHE A CG 1 ATOM 1253 C CD1 . PHE A 1 153 ? -13.089 -23.728 11.110 1.00 19.04 ? 153 PHE A CD1 1 ATOM 1254 C CD2 . PHE A 1 153 ? -15.133 -22.972 10.138 1.00 14.87 ? 153 PHE A CD2 1 ATOM 1255 C CE1 . PHE A 1 153 ? -12.405 -23.363 9.962 1.00 18.89 ? 153 PHE A CE1 1 ATOM 1256 C CE2 . PHE A 1 153 ? -14.455 -22.602 8.988 1.00 16.57 ? 153 PHE A CE2 1 ATOM 1257 C CZ . PHE A 1 153 ? -13.088 -22.797 8.899 1.00 18.05 ? 153 PHE A CZ 1 ATOM 1258 N N . LEU A 1 154 ? -13.690 -22.046 14.375 1.00 18.99 ? 154 LEU A N 1 ATOM 1259 C CA . LEU A 1 154 ? -12.491 -21.255 14.607 1.00 23.67 ? 154 LEU A CA 1 ATOM 1260 C C . LEU A 1 154 ? -11.323 -21.951 13.923 1.00 22.53 ? 154 LEU A C 1 ATOM 1261 O O . LEU A 1 154 ? -10.863 -22.987 14.396 1.00 24.93 ? 154 LEU A O 1 ATOM 1262 C CB . LEU A 1 154 ? -12.201 -21.158 16.106 1.00 31.11 ? 154 LEU A CB 1 ATOM 1263 C CG . LEU A 1 154 ? -12.426 -19.827 16.817 1.00 39.32 ? 154 LEU A CG 1 ATOM 1264 C CD1 . LEU A 1 154 ? -11.761 -19.840 18.188 1.00 39.28 ? 154 LEU A CD1 1 ATOM 1265 C CD2 . LEU A 1 154 ? -11.902 -18.683 15.976 1.00 42.99 ? 154 LEU A CD2 1 ATOM 1266 N N . PRO A 1 155 ? -10.851 -21.392 12.800 1.00 23.99 ? 155 PRO A N 1 ATOM 1267 C CA . PRO A 1 155 ? -9.747 -21.980 12.034 1.00 26.59 ? 155 PRO A CA 1 ATOM 1268 C C . PRO A 1 155 ? -8.502 -22.210 12.883 1.00 24.71 ? 155 PRO A C 1 ATOM 1269 O O . PRO A 1 155 ? -8.076 -21.332 13.636 1.00 25.58 ? 155 PRO A O 1 ATOM 1270 C CB . PRO A 1 155 ? -9.467 -20.923 10.967 1.00 28.13 ? 155 PRO A CB 1 ATOM 1271 C CG . PRO A 1 155 ? -10.788 -20.263 10.756 1.00 28.67 ? 155 PRO A CG 1 ATOM 1272 C CD . PRO A 1 155 ? -11.427 -20.218 12.120 1.00 28.50 ? 155 PRO A CD 1 ATOM 1273 N N . SER A 1 156 ? -7.932 -23.402 12.758 1.00 23.66 ? 156 SER A N 1 ATOM 1274 C CA . SER A 1 156 ? -6.738 -23.756 13.509 1.00 28.35 ? 156 SER A CA 1 ATOM 1275 C C . SER A 1 156 ? -5.915 -24.758 12.719 1.00 27.60 ? 156 SER A C 1 ATOM 1276 O O . SER A 1 156 ? -6.438 -25.452 11.849 1.00 28.92 ? 156 SER A O 1 ATOM 1277 C CB . SER A 1 156 ? -7.113 -24.357 14.862 1.00 31.44 ? 156 SER A CB 1 ATOM 1278 O OG . SER A 1 156 ? -7.694 -25.634 14.695 1.00 35.38 ? 156 SER A OG 1 ATOM 1279 N N . THR A 1 157 ? -4.626 -24.833 13.023 1.00 28.13 ? 157 THR A N 1 ATOM 1280 C CA . THR A 1 157 ? -3.751 -25.774 12.341 1.00 32.45 ? 157 THR A CA 1 ATOM 1281 C C . THR A 1 157 ? -3.957 -27.193 12.859 1.00 32.81 ? 157 THR A C 1 ATOM 1282 O O . THR A 1 157 ? -3.512 -28.157 12.238 1.00 39.28 ? 157 THR A O 1 ATOM 1283 C CB . THR A 1 157 ? -2.269 -25.377 12.492 1.00 35.18 ? 157 THR A CB 1 ATOM 1284 O OG1 . THR A 1 157 ? -1.944 -25.252 13.882 1.00 36.61 ? 157 THR A OG1 1 ATOM 1285 C CG2 . THR A 1 157 ? -2.006 -24.049 11.802 1.00 38.85 ? 157 THR A CG2 1 ATOM 1286 N N . GLU A 1 158 ? -4.652 -27.321 13.985 1.00 30.02 ? 158 GLU A N 1 ATOM 1287 C CA . GLU A 1 158 ? -4.794 -28.620 14.644 1.00 37.28 ? 158 GLU A CA 1 ATOM 1288 C C . GLU A 1 158 ? -6.022 -29.426 14.213 1.00 34.99 ? 158 GLU A C 1 ATOM 1289 O O . GLU A 1 158 ? -6.065 -30.640 14.410 1.00 36.47 ? 158 GLU A O 1 ATOM 1290 C CB . GLU A 1 158 ? -4.784 -28.453 16.166 1.00 41.85 ? 158 GLU A CB 1 ATOM 1291 C CG . GLU A 1 158 ? -3.505 -27.832 16.701 1.00 48.17 ? 158 GLU A CG 1 ATOM 1292 C CD . GLU A 1 158 ? -2.256 -28.524 16.178 1.00 55.48 ? 158 GLU A CD 1 ATOM 1293 O OE1 . GLU A 1 158 ? -2.090 -29.737 16.432 1.00 56.95 ? 158 GLU A OE1 1 ATOM 1294 O OE2 . GLU A 1 158 ? -1.439 -27.854 15.508 1.00 58.79 ? 158 GLU A OE2 1 ATOM 1295 N N . ASP A 1 159 ? -7.013 -28.761 13.627 1.00 26.33 ? 159 ASP A N 1 ATOM 1296 C CA . ASP A 1 159 ? -8.258 -29.433 13.259 1.00 26.31 ? 159 ASP A CA 1 ATOM 1297 C C . ASP A 1 159 ? -8.379 -29.697 11.761 1.00 28.70 ? 159 ASP A C 1 ATOM 1298 O O . ASP A 1 159 ? -7.990 -28.870 10.938 1.00 33.39 ? 159 ASP A O 1 ATOM 1299 C CB . ASP A 1 159 ? -9.470 -28.614 13.710 1.00 30.07 ? 159 ASP A CB 1 ATOM 1300 C CG . ASP A 1 159 ? -9.598 -28.537 15.217 1.00 33.85 ? 159 ASP A CG 1 ATOM 1301 O OD1 . ASP A 1 159 ? -9.185 -29.494 15.903 1.00 27.71 ? 159 ASP A OD1 1 ATOM 1302 O OD2 . ASP A 1 159 ? -10.121 -27.517 15.715 1.00 35.89 ? 159 ASP A OD2 1 ATOM 1303 N N . VAL A 1 160 ? -8.927 -30.856 11.413 1.00 22.22 ? 160 VAL A N 1 ATOM 1304 C CA . VAL A 1 160 ? -9.323 -31.120 10.036 1.00 18.82 ? 160 VAL A CA 1 ATOM 1305 C C . VAL A 1 160 ? -10.817 -31.421 10.004 1.00 18.10 ? 160 VAL A C 1 ATOM 1306 O O . VAL A 1 160 ? -11.389 -31.888 10.991 1.00 19.31 ? 160 VAL A O 1 ATOM 1307 C CB . VAL A 1 160 ? -8.541 -32.287 9.401 1.00 20.16 ? 160 VAL A CB 1 ATOM 1308 C CG1 . VAL A 1 160 ? -7.030 -32.044 9.498 1.00 23.29 ? 160 VAL A CG1 1 ATOM 1309 C CG2 . VAL A 1 160 ? -8.919 -33.609 10.052 1.00 25.76 ? 160 VAL A CG2 1 ATOM 1310 N N . TYR A 1 161 ? -11.451 -31.134 8.874 1.00 16.05 ? 161 TYR A N 1 ATOM 1311 C CA . TYR A 1 161 ? -12.890 -31.320 8.751 1.00 16.26 ? 161 TYR A CA 1 ATOM 1312 C C . TYR A 1 161 ? -13.252 -32.156 7.535 1.00 16.85 ? 161 TYR A C 1 ATOM 1313 O O . TYR A 1 161 ? -12.513 -32.205 6.550 1.00 16.55 ? 161 TYR A O 1 ATOM 1314 C CB . TYR A 1 161 ? -13.606 -29.968 8.670 1.00 18.71 ? 161 TYR A CB 1 ATOM 1315 C CG . TYR A 1 161 ? -13.514 -29.159 9.941 1.00 18.00 ? 161 TYR A CG 1 ATOM 1316 C CD1 . TYR A 1 161 ? -12.433 -28.314 10.172 1.00 20.29 ? 161 TYR A CD1 1 ATOM 1317 C CD2 . TYR A 1 161 ? -14.508 -29.235 10.908 1.00 18.73 ? 161 TYR A CD2 1 ATOM 1318 C CE1 . TYR A 1 161 ? -12.343 -27.573 11.333 1.00 21.76 ? 161 TYR A CE1 1 ATOM 1319 C CE2 . TYR A 1 161 ? -14.422 -28.501 12.076 1.00 20.00 ? 161 TYR A CE2 1 ATOM 1320 C CZ . TYR A 1 161 ? -13.342 -27.668 12.279 1.00 21.54 ? 161 TYR A CZ 1 ATOM 1321 O OH . TYR A 1 161 ? -13.253 -26.934 13.439 1.00 24.15 ? 161 TYR A OH 1 ATOM 1322 N N . ASP A 1 162 ? -14.395 -32.824 7.627 1.00 13.63 ? 162 ASP A N 1 ATOM 1323 C CA . ASP A 1 162 ? -14.985 -33.513 6.495 1.00 13.10 ? 162 ASP A CA 1 ATOM 1324 C C . ASP A 1 162 ? -16.487 -33.329 6.549 1.00 14.46 ? 162 ASP A C 1 ATOM 1325 O O . ASP A 1 162 ? -17.084 -33.342 7.627 1.00 14.09 ? 162 ASP A O 1 ATOM 1326 C CB . ASP A 1 162 ? -14.677 -35.010 6.530 1.00 15.02 ? 162 ASP A CB 1 ATOM 1327 C CG . ASP A 1 162 ? -13.198 -35.309 6.448 1.00 20.07 ? 162 ASP A CG 1 ATOM 1328 O OD1 . ASP A 1 162 ? -12.642 -35.290 5.327 1.00 20.98 ? 162 ASP A OD1 1 ATOM 1329 O OD2 . ASP A 1 162 ? -12.590 -35.582 7.507 1.00 22.81 ? 162 ASP A OD2 1 ATOM 1330 N N . CYS A 1 163 ? -17.088 -33.150 5.381 1.00 11.01 ? 163 CYS A N 1 ATOM 1331 C CA . CYS A 1 163 ? -18.524 -33.278 5.239 1.00 13.85 ? 163 CYS A CA 1 ATOM 1332 C C . CYS A 1 163 ? -18.779 -34.653 4.660 1.00 17.87 ? 163 CYS A C 1 ATOM 1333 O O . CYS A 1 163 ? -18.287 -34.975 3.576 1.00 16.38 ? 163 CYS A O 1 ATOM 1334 C CB . CYS A 1 163 ? -19.063 -32.206 4.299 1.00 14.37 ? 163 CYS A CB 1 ATOM 1335 S SG . CYS A 1 163 ? -20.840 -32.316 4.032 1.00 17.28 ? 163 CYS A SG 1 ATOM 1336 N N . ARG A 1 164 ? -19.524 -35.477 5.390 1.00 14.13 ? 164 ARG A N 1 ATOM 1337 C CA . ARG A 1 164 ? -19.822 -36.825 4.929 1.00 12.84 ? 164 ARG A CA 1 ATOM 1338 C C . ARG A 1 164 ? -21.248 -36.903 4.429 1.00 15.33 ? 164 ARG A C 1 ATOM 1339 O O . ARG A 1 164 ? -22.187 -36.568 5.151 1.00 14.16 ? 164 ARG A O 1 ATOM 1340 C CB . ARG A 1 164 ? -19.611 -37.851 6.037 1.00 13.13 ? 164 ARG A CB 1 ATOM 1341 C CG . ARG A 1 164 ? -19.888 -39.271 5.588 1.00 15.87 ? 164 ARG A CG 1 ATOM 1342 C CD . ARG A 1 164 ? -19.700 -40.238 6.734 1.00 20.41 ? 164 ARG A CD 1 ATOM 1343 N NE . ARG A 1 164 ? -20.728 -40.075 7.759 1.00 21.80 ? 164 ARG A NE 1 ATOM 1344 C CZ . ARG A 1 164 ? -20.539 -40.334 9.048 1.00 26.48 ? 164 ARG A CZ 1 ATOM 1345 N NH1 . ARG A 1 164 ? -19.351 -40.749 9.472 1.00 19.35 ? 164 ARG A NH1 1 ATOM 1346 N NH2 . ARG A 1 164 ? -21.529 -40.167 9.917 1.00 24.13 ? 164 ARG A NH2 1 ATOM 1347 N N . VAL A 1 165 ? -21.405 -37.358 3.193 1.00 12.69 ? 165 VAL A N 1 ATOM 1348 C CA . VAL A 1 165 ? -22.717 -37.392 2.564 1.00 12.34 ? 165 VAL A CA 1 ATOM 1349 C C . VAL A 1 165 ? -23.098 -38.818 2.172 1.00 14.47 ? 165 VAL A C 1 ATOM 1350 O O . VAL A 1 165 ? -22.334 -39.507 1.497 1.00 15.60 ? 165 VAL A O 1 ATOM 1351 C CB . VAL A 1 165 ? -22.739 -36.475 1.326 1.00 12.91 ? 165 VAL A CB 1 ATOM 1352 C CG1 . VAL A 1 165 ? -24.079 -36.559 0.632 1.00 16.10 ? 165 VAL A CG1 1 ATOM 1353 C CG2 . VAL A 1 165 ? -22.442 -35.033 1.723 1.00 11.06 ? 165 VAL A CG2 1 ATOM 1354 N N . GLU A 1 166 ? -24.269 -39.270 2.621 1.00 12.76 ? 166 GLU A N 1 ATOM 1355 C CA . GLU A 1 166 ? -24.781 -40.584 2.238 1.00 16.13 ? 166 GLU A CA 1 ATOM 1356 C C . GLU A 1 166 ? -26.029 -40.416 1.371 1.00 13.69 ? 166 GLU A C 1 ATOM 1357 O O . GLU A 1 166 ? -26.920 -39.647 1.709 1.00 15.62 ? 166 GLU A O 1 ATOM 1358 C CB . GLU A 1 166 ? -25.103 -41.428 3.474 1.00 21.38 ? 166 GLU A CB 1 ATOM 1359 C CG . GLU A 1 166 ? -23.921 -41.627 4.403 1.00 25.20 ? 166 GLU A CG 1 ATOM 1360 C CD . GLU A 1 166 ? -24.268 -42.444 5.633 1.00 41.93 ? 166 GLU A CD 1 ATOM 1361 O OE1 . GLU A 1 166 ? -23.368 -42.649 6.474 1.00 53.04 ? 166 GLU A OE1 1 ATOM 1362 O OE2 . GLU A 1 166 ? -25.434 -42.881 5.759 1.00 45.58 ? 166 GLU A OE2 1 ATOM 1363 N N . HIS A 1 167 ? -26.073 -41.132 0.251 1.00 12.16 ? 167 HIS A N 1 ATOM 1364 C CA . HIS A 1 167 ? -27.188 -41.060 -0.684 1.00 12.67 ? 167 HIS A CA 1 ATOM 1365 C C . HIS A 1 167 ? -27.309 -42.414 -1.370 1.00 15.10 ? 167 HIS A C 1 ATOM 1366 O O . HIS A 1 167 ? -26.304 -43.083 -1.600 1.00 16.14 ? 167 HIS A O 1 ATOM 1367 C CB . HIS A 1 167 ? -26.946 -39.955 -1.719 1.00 11.93 ? 167 HIS A CB 1 ATOM 1368 C CG . HIS A 1 167 ? -28.117 -39.702 -2.618 1.00 11.49 ? 167 HIS A CG 1 ATOM 1369 N ND1 . HIS A 1 167 ? -28.316 -40.394 -3.793 1.00 10.70 ? 167 HIS A ND1 1 ATOM 1370 C CD2 . HIS A 1 167 ? -29.152 -38.833 -2.514 1.00 13.33 ? 167 HIS A CD2 1 ATOM 1371 C CE1 . HIS A 1 167 ? -29.428 -39.971 -4.370 1.00 11.40 ? 167 HIS A CE1 1 ATOM 1372 N NE2 . HIS A 1 167 ? -29.949 -39.017 -3.619 1.00 11.15 ? 167 HIS A NE2 1 ATOM 1373 N N . TRP A 1 168 ? -28.531 -42.824 -1.699 1.00 13.61 ? 168 TRP A N 1 ATOM 1374 C CA . TRP A 1 168 ? -28.750 -44.138 -2.295 1.00 17.08 ? 168 TRP A CA 1 ATOM 1375 C C . TRP A 1 168 ? -28.070 -44.311 -3.653 1.00 17.64 ? 168 TRP A C 1 ATOM 1376 O O . TRP A 1 168 ? -27.878 -45.436 -4.116 1.00 19.08 ? 168 TRP A O 1 ATOM 1377 C CB . TRP A 1 168 ? -30.249 -44.433 -2.406 1.00 17.86 ? 168 TRP A CB 1 ATOM 1378 C CG . TRP A 1 168 ? -30.911 -44.486 -1.076 1.00 19.25 ? 168 TRP A CG 1 ATOM 1379 C CD1 . TRP A 1 168 ? -30.428 -45.080 0.056 1.00 22.05 ? 168 TRP A CD1 1 ATOM 1380 C CD2 . TRP A 1 168 ? -32.166 -43.904 -0.722 1.00 19.05 ? 168 TRP A CD2 1 ATOM 1381 N NE1 . TRP A 1 168 ? -31.317 -44.912 1.092 1.00 23.93 ? 168 TRP A NE1 1 ATOM 1382 C CE2 . TRP A 1 168 ? -32.392 -44.192 0.640 1.00 21.96 ? 168 TRP A CE2 1 ATOM 1383 C CE3 . TRP A 1 168 ? -33.125 -43.166 -1.425 1.00 19.34 ? 168 TRP A CE3 1 ATOM 1384 C CZ2 . TRP A 1 168 ? -33.533 -43.767 1.313 1.00 21.39 ? 168 TRP A CZ2 1 ATOM 1385 C CZ3 . TRP A 1 168 ? -34.260 -42.749 -0.755 1.00 18.09 ? 168 TRP A CZ3 1 ATOM 1386 C CH2 . TRP A 1 168 ? -34.450 -43.044 0.601 1.00 18.46 ? 168 TRP A CH2 1 ATOM 1387 N N . GLY A 1 169 ? -27.707 -43.196 -4.282 1.00 15.79 ? 169 GLY A N 1 ATOM 1388 C CA . GLY A 1 169 ? -27.026 -43.228 -5.562 1.00 15.95 ? 169 GLY A CA 1 ATOM 1389 C C . GLY A 1 169 ? -25.531 -43.447 -5.432 1.00 18.27 ? 169 GLY A C 1 ATOM 1390 O O . GLY A 1 169 ? -24.850 -43.685 -6.429 1.00 17.09 ? 169 GLY A O 1 ATOM 1391 N N . LEU A 1 170 ? -25.026 -43.362 -4.204 1.00 16.29 ? 170 LEU A N 1 ATOM 1392 C CA . LEU A 1 170 ? -23.604 -43.570 -3.929 1.00 18.23 ? 170 LEU A CA 1 ATOM 1393 C C . LEU A 1 170 ? -23.340 -44.996 -3.468 1.00 24.17 ? 170 LEU A C 1 ATOM 1394 O O . LEU A 1 170 ? -24.133 -45.569 -2.725 1.00 28.10 ? 170 LEU A O 1 ATOM 1395 C CB . LEU A 1 170 ? -23.126 -42.599 -2.847 1.00 15.35 ? 170 LEU A CB 1 ATOM 1396 C CG . LEU A 1 170 ? -23.126 -41.110 -3.200 1.00 18.10 ? 170 LEU A CG 1 ATOM 1397 C CD1 . LEU A 1 170 ? -22.947 -40.259 -1.948 1.00 17.59 ? 170 LEU A CD1 1 ATOM 1398 C CD2 . LEU A 1 170 ? -22.042 -40.803 -4.232 1.00 15.47 ? 170 LEU A CD2 1 ATOM 1399 N N . ASP A 1 171 ? -22.214 -45.561 -3.897 1.00 23.24 ? 171 ASP A N 1 ATOM 1400 C CA . ASP A 1 171 ? -21.837 -46.911 -3.489 1.00 30.85 ? 171 ASP A CA 1 ATOM 1401 C C . ASP A 1 171 ? -21.270 -46.909 -2.073 1.00 32.54 ? 171 ASP A C 1 ATOM 1402 O O . ASP A 1 171 ? -21.301 -47.921 -1.374 1.00 36.57 ? 171 ASP A O 1 ATOM 1403 C CB . ASP A 1 171 ? -20.826 -47.499 -4.472 1.00 37.38 ? 171 ASP A CB 1 ATOM 1404 C CG . ASP A 1 171 ? -21.402 -47.670 -5.865 1.00 50.79 ? 171 ASP A CG 1 ATOM 1405 O OD1 . ASP A 1 171 ? -22.593 -48.033 -5.975 1.00 53.70 ? 171 ASP A OD1 1 ATOM 1406 O OD2 . ASP A 1 171 ? -20.668 -47.436 -6.850 1.00 57.09 ? 171 ASP A OD2 1 ATOM 1407 N N . GLU A 1 172 ? -20.750 -45.760 -1.660 1.00 24.12 ? 172 GLU A N 1 ATOM 1408 C CA . GLU A 1 172 ? -20.234 -45.580 -0.310 1.00 25.90 ? 172 GLU A CA 1 ATOM 1409 C C . GLU A 1 172 ? -20.352 -44.100 0.033 1.00 23.29 ? 172 GLU A C 1 ATOM 1410 O O . GLU A 1 172 ? -20.524 -43.275 -0.866 1.00 23.14 ? 172 GLU A O 1 ATOM 1411 C CB . GLU A 1 172 ? -18.781 -46.052 -0.229 1.00 32.45 ? 172 GLU A CB 1 ATOM 1412 C CG . GLU A 1 172 ? -17.839 -45.331 -1.169 1.00 39.43 ? 172 GLU A CG 1 ATOM 1413 C CD . GLU A 1 172 ? -16.956 -46.288 -1.943 1.00 53.58 ? 172 GLU A CD 1 ATOM 1414 O OE1 . GLU A 1 172 ? -17.373 -46.725 -3.039 1.00 57.67 ? 172 GLU A OE1 1 ATOM 1415 O OE2 . GLU A 1 172 ? -15.849 -46.608 -1.456 1.00 57.94 ? 172 GLU A OE2 1 ATOM 1416 N N . PRO A 1 173 ? -20.286 -43.753 1.330 1.00 25.52 ? 173 PRO A N 1 ATOM 1417 C CA . PRO A 1 173 ? -20.413 -42.337 1.684 1.00 22.40 ? 173 PRO A CA 1 ATOM 1418 C C . PRO A 1 173 ? -19.314 -41.490 1.062 1.00 20.64 ? 173 PRO A C 1 ATOM 1419 O O . PRO A 1 173 ? -18.170 -41.924 0.941 1.00 22.44 ? 173 PRO A O 1 ATOM 1420 C CB . PRO A 1 173 ? -20.295 -42.339 3.213 1.00 25.59 ? 173 PRO A CB 1 ATOM 1421 C CG . PRO A 1 173 ? -19.727 -43.671 3.569 1.00 32.70 ? 173 PRO A CG 1 ATOM 1422 C CD . PRO A 1 173 ? -20.199 -44.612 2.523 1.00 31.29 ? 173 PRO A CD 1 ATOM 1423 N N . LEU A 1 174 ? -19.683 -40.286 0.651 1.00 19.27 ? 174 LEU A N 1 ATOM 1424 C CA . LEU A 1 174 ? -18.756 -39.372 0.018 1.00 17.24 ? 174 LEU A CA 1 ATOM 1425 C C . LEU A 1 174 ? -18.230 -38.436 1.093 1.00 15.32 ? 174 LEU A C 1 ATOM 1426 O O . LEU A 1 174 ? -19.016 -37.798 1.788 1.00 17.40 ? 174 LEU A O 1 ATOM 1427 C CB . LEU A 1 174 ? -19.502 -38.589 -1.061 1.00 19.86 ? 174 LEU A CB 1 ATOM 1428 C CG . LEU A 1 174 ? -18.759 -37.728 -2.079 1.00 26.68 ? 174 LEU A CG 1 ATOM 1429 C CD1 . LEU A 1 174 ? -17.544 -38.457 -2.629 1.00 30.27 ? 174 LEU A CD1 1 ATOM 1430 C CD2 . LEU A 1 174 ? -19.727 -37.371 -3.202 1.00 27.66 ? 174 LEU A CD2 1 ATOM 1431 N N . LEU A 1 175 ? -16.911 -38.372 1.253 1.00 14.64 ? 175 LEU A N 1 ATOM 1432 C CA . LEU A 1 175 ? -16.312 -37.423 2.191 1.00 18.96 ? 175 LEU A CA 1 ATOM 1433 C C . LEU A 1 175 ? -15.534 -36.334 1.472 1.00 18.73 ? 175 LEU A C 1 ATOM 1434 O O . LEU A 1 175 ? -14.640 -36.620 0.678 1.00 24.97 ? 175 LEU A O 1 ATOM 1435 C CB . LEU A 1 175 ? -15.380 -38.122 3.185 1.00 24.52 ? 175 LEU A CB 1 ATOM 1436 C CG . LEU A 1 175 ? -16.010 -38.684 4.457 1.00 26.78 ? 175 LEU A CG 1 ATOM 1437 C CD1 . LEU A 1 175 ? -16.695 -40.017 4.167 1.00 29.01 ? 175 LEU A CD1 1 ATOM 1438 C CD2 . LEU A 1 175 ? -14.956 -38.828 5.544 1.00 28.77 ? 175 LEU A CD2 1 ATOM 1439 N N . LYS A 1 176 ? -15.874 -35.085 1.761 1.00 15.86 ? 176 LYS A N 1 ATOM 1440 C CA . LYS A 1 176 ? -15.151 -33.957 1.196 1.00 16.12 ? 176 LYS A CA 1 ATOM 1441 C C . LYS A 1 176 ? -14.397 -33.255 2.312 1.00 15.84 ? 176 LYS A C 1 ATOM 1442 O O . LYS A 1 176 ? -14.985 -32.858 3.318 1.00 15.36 ? 176 LYS A O 1 ATOM 1443 C CB . LYS A 1 176 ? -16.105 -32.998 0.484 1.00 21.12 ? 176 LYS A CB 1 ATOM 1444 C CG . LYS A 1 176 ? -15.865 -32.904 -1.013 1.00 33.71 ? 176 LYS A CG 1 ATOM 1445 C CD . LYS A 1 176 ? -15.906 -34.273 -1.672 1.00 36.13 ? 176 LYS A CD 1 ATOM 1446 C CE . LYS A 1 176 ? -15.604 -34.177 -3.159 1.00 44.35 ? 176 LYS A CE 1 ATOM 1447 N NZ . LYS A 1 176 ? -15.791 -35.474 -3.869 1.00 46.36 ? 176 LYS A NZ 1 ATOM 1448 N N . HIS A 1 177 ? -13.092 -33.110 2.113 1.00 17.49 ? 177 HIS A N 1 ATOM 1449 C CA . HIS A 1 177 ? -12.171 -32.718 3.171 1.00 19.53 ? 177 HIS A CA 1 ATOM 1450 C C . HIS A 1 177 ? -11.925 -31.218 3.169 1.00 23.04 ? 177 HIS A C 1 ATOM 1451 O O . HIS A 1 177 ? -12.024 -30.564 2.131 1.00 23.12 ? 177 HIS A O 1 ATOM 1452 C CB . HIS A 1 177 ? -10.841 -33.447 2.970 1.00 20.52 ? 177 HIS A CB 1 ATOM 1453 C CG . HIS A 1 177 ? -9.929 -33.403 4.157 1.00 22.72 ? 177 HIS A CG 1 ATOM 1454 N ND1 . HIS A 1 177 ? -10.160 -34.136 5.302 1.00 24.52 ? 177 HIS A ND1 1 ATOM 1455 C CD2 . HIS A 1 177 ? -8.769 -32.734 4.368 1.00 25.03 ? 177 HIS A CD2 1 ATOM 1456 C CE1 . HIS A 1 177 ? -9.190 -33.914 6.170 1.00 25.27 ? 177 HIS A CE1 1 ATOM 1457 N NE2 . HIS A 1 177 ? -8.331 -33.069 5.628 1.00 27.35 ? 177 HIS A NE2 1 ATOM 1458 N N . TRP A 1 178 ? -11.618 -30.676 4.342 1.00 19.52 ? 178 TRP A N 1 ATOM 1459 C CA . TRP A 1 178 ? -11.100 -29.321 4.442 1.00 16.52 ? 178 TRP A CA 1 ATOM 1460 C C . TRP A 1 178 ? -10.110 -29.226 5.596 1.00 19.27 ? 178 TRP A C 1 ATOM 1461 O O . TRP A 1 178 ? -10.351 -29.752 6.680 1.00 19.32 ? 178 TRP A O 1 ATOM 1462 C CB . TRP A 1 178 ? -12.219 -28.290 4.624 1.00 14.72 ? 178 TRP A CB 1 ATOM 1463 C CG . TRP A 1 178 ? -11.684 -26.890 4.603 1.00 17.29 ? 178 TRP A CG 1 ATOM 1464 C CD1 . TRP A 1 178 ? -11.584 -26.069 3.516 1.00 19.80 ? 178 TRP A CD1 1 ATOM 1465 C CD2 . TRP A 1 178 ? -11.139 -26.159 5.710 1.00 21.31 ? 178 TRP A CD2 1 ATOM 1466 N NE1 . TRP A 1 178 ? -11.019 -24.870 3.881 1.00 25.70 ? 178 TRP A NE1 1 ATOM 1467 C CE2 . TRP A 1 178 ? -10.736 -24.900 5.220 1.00 23.21 ? 178 TRP A CE2 1 ATOM 1468 C CE3 . TRP A 1 178 ? -10.959 -26.444 7.066 1.00 24.39 ? 178 TRP A CE3 1 ATOM 1469 C CZ2 . TRP A 1 178 ? -10.165 -23.928 6.041 1.00 24.28 ? 178 TRP A CZ2 1 ATOM 1470 C CZ3 . TRP A 1 178 ? -10.387 -25.479 7.878 1.00 30.15 ? 178 TRP A CZ3 1 ATOM 1471 C CH2 . TRP A 1 178 ? -10.000 -24.234 7.361 1.00 28.22 ? 178 TRP A CH2 1 ATOM 1472 N N . GLU A 1 179 ? -8.985 -28.561 5.352 1.00 18.53 ? 179 GLU A N 1 ATOM 1473 C CA . GLU A 1 179 ? -8.064 -28.224 6.424 1.00 19.11 ? 179 GLU A CA 1 ATOM 1474 C C . GLU A 1 179 ? -7.344 -26.922 6.097 1.00 20.52 ? 179 GLU A C 1 ATOM 1475 O O . GLU A 1 179 ? -7.294 -26.504 4.939 1.00 22.78 ? 179 GLU A O 1 ATOM 1476 C CB . GLU A 1 179 ? -7.071 -29.357 6.686 1.00 28.52 ? 179 GLU A CB 1 ATOM 1477 C CG . GLU A 1 179 ? -6.237 -29.758 5.490 1.00 27.08 ? 179 GLU A CG 1 ATOM 1478 C CD . GLU A 1 179 ? -5.283 -30.890 5.816 1.00 31.73 ? 179 GLU A CD 1 ATOM 1479 O OE1 . GLU A 1 179 ? -5.759 -32.008 6.106 1.00 31.41 ? 179 GLU A OE1 1 ATOM 1480 O OE2 . GLU A 1 179 ? -4.058 -30.657 5.792 1.00 38.35 ? 179 GLU A OE2 1 ATOM 1481 N N . PHE A 1 180 ? -6.800 -26.282 7.124 1.00 24.55 ? 180 PHE A N 1 ATOM 1482 C CA . PHE A 1 180 ? -6.160 -24.980 6.970 1.00 27.91 ? 180 PHE A CA 1 ATOM 1483 C C . PHE A 1 180 ? -4.975 -25.018 6.003 1.00 33.53 ? 180 PHE A C 1 ATOM 1484 O O . PHE A 1 180 ? -4.215 -25.989 5.996 1.00 33.00 ? 180 PHE A O 1 ATOM 1485 C CB . PHE A 1 180 ? -5.718 -24.450 8.334 1.00 30.95 ? 180 PHE A CB 1 ATOM 1486 C CG . PHE A 1 180 ? -5.055 -23.108 8.273 1.00 36.01 ? 180 PHE A CG 1 ATOM 1487 C CD1 . PHE A 1 180 ? -3.684 -22.989 8.445 1.00 38.37 ? 180 PHE A CD1 1 ATOM 1488 C CD2 . PHE A 1 180 ? -5.799 -21.964 8.036 1.00 35.54 ? 180 PHE A CD2 1 ATOM 1489 C CE1 . PHE A 1 180 ? -3.070 -21.755 8.387 1.00 42.89 ? 180 PHE A CE1 1 ATOM 1490 C CE2 . PHE A 1 180 ? -5.188 -20.726 7.978 1.00 41.20 ? 180 PHE A CE2 1 ATOM 1491 C CZ . PHE A 1 180 ? -3.822 -20.623 8.152 1.00 44.00 ? 180 PHE A CZ 1 ATOM 1492 N N . ASP A 1 181 ? -4.861 -23.948 5.208 1.00 41.39 ? 181 ASP A N 1 ATOM 1493 C CA . ASP A 1 181 ? -3.841 -23.700 4.162 1.00 53.78 ? 181 ASP A CA 1 ATOM 1494 C C . ASP A 1 181 ? -4.348 -23.936 2.742 1.00 55.30 ? 181 ASP A C 1 ATOM 1495 O O . ASP A 1 181 ? -3.802 -23.380 1.786 1.00 59.69 ? 181 ASP A O 1 ATOM 1496 C CB . ASP A 1 181 ? -2.507 -24.431 4.383 1.00 62.18 ? 181 ASP A CB 1 ATOM 1497 C CG . ASP A 1 181 ? -1.593 -23.695 5.332 1.00 67.57 ? 181 ASP A CG 1 ATOM 1498 O OD1 . ASP A 1 181 ? -1.870 -22.511 5.611 1.00 71.22 ? 181 ASP A OD1 1 ATOM 1499 O OD2 . ASP A 1 181 ? -0.593 -24.292 5.787 1.00 69.65 ? 181 ASP A OD2 1 ATOM 1500 N N . ASP B 2 4 ? -31.461 -49.412 2.575 1.00 45.00 ? 2 ASP B N 1 ATOM 1501 C CA . ASP B 2 4 ? -32.822 -49.325 2.054 1.00 42.36 ? 2 ASP B CA 1 ATOM 1502 C C . ASP B 2 4 ? -32.797 -49.320 0.530 1.00 40.74 ? 2 ASP B C 1 ATOM 1503 O O . ASP B 2 4 ? -32.393 -48.337 -0.088 1.00 46.74 ? 2 ASP B O 1 ATOM 1504 C CB . ASP B 2 4 ? -33.512 -48.062 2.573 1.00 39.57 ? 2 ASP B CB 1 ATOM 1505 C CG . ASP B 2 4 ? -35.026 -48.101 2.399 1.00 34.08 ? 2 ASP B CG 1 ATOM 1506 O OD1 . ASP B 2 4 ? -35.523 -48.854 1.533 1.00 30.63 ? 2 ASP B OD1 1 ATOM 1507 O OD2 . ASP B 2 4 ? -35.721 -47.375 3.137 1.00 34.64 ? 2 ASP B OD2 1 ATOM 1508 N N . THR B 2 5 ? -33.239 -50.420 -0.070 1.00 37.20 ? 3 THR B N 1 ATOM 1509 C CA . THR B 2 5 ? -33.236 -50.547 -1.522 1.00 35.83 ? 3 THR B CA 1 ATOM 1510 C C . THR B 2 5 ? -34.641 -50.509 -2.128 1.00 31.32 ? 3 THR B C 1 ATOM 1511 O O . THR B 2 5 ? -34.812 -50.805 -3.310 1.00 34.18 ? 3 THR B O 1 ATOM 1512 C CB . THR B 2 5 ? -32.538 -51.847 -1.969 1.00 41.13 ? 3 THR B CB 1 ATOM 1513 O OG1 . THR B 2 5 ? -33.251 -52.975 -1.448 1.00 44.14 ? 3 THR B OG1 1 ATOM 1514 C CG2 . THR B 2 5 ? -31.100 -51.881 -1.471 1.00 42.83 ? 3 THR B CG2 1 ATOM 1515 N N . ARG B 2 6 ? -35.640 -50.156 -1.322 1.00 23.51 ? 4 ARG B N 1 ATOM 1516 C CA . ARG B 2 6 ? -37.009 -50.033 -1.818 1.00 19.40 ? 4 ARG B CA 1 ATOM 1517 C C . ARG B 2 6 ? -37.095 -48.963 -2.904 1.00 20.46 ? 4 ARG B C 1 ATOM 1518 O O . ARG B 2 6 ? -36.460 -47.911 -2.803 1.00 18.69 ? 4 ARG B O 1 ATOM 1519 C CB . ARG B 2 6 ? -37.973 -49.681 -0.685 1.00 17.84 ? 4 ARG B CB 1 ATOM 1520 C CG . ARG B 2 6 ? -38.212 -50.794 0.322 1.00 25.77 ? 4 ARG B CG 1 ATOM 1521 C CD . ARG B 2 6 ? -39.136 -50.303 1.423 1.00 28.31 ? 4 ARG B CD 1 ATOM 1522 N NE . ARG B 2 6 ? -38.487 -49.291 2.253 1.00 31.04 ? 4 ARG B NE 1 ATOM 1523 C CZ . ARG B 2 6 ? -39.134 -48.465 3.070 1.00 31.58 ? 4 ARG B CZ 1 ATOM 1524 N NH1 . ARG B 2 6 ? -40.456 -48.516 3.162 1.00 33.13 ? 4 ARG B NH1 1 ATOM 1525 N NH2 . ARG B 2 6 ? -38.457 -47.584 3.792 1.00 27.70 ? 4 ARG B NH2 1 ATOM 1526 N N . PRO B 2 7 ? -37.881 -49.228 -3.953 1.00 21.45 ? 5 PRO B N 1 ATOM 1527 C CA . PRO B 2 7 ? -38.021 -48.231 -5.015 1.00 16.97 ? 5 PRO B CA 1 ATOM 1528 C C . PRO B 2 7 ? -38.689 -46.968 -4.490 1.00 15.70 ? 5 PRO B C 1 ATOM 1529 O O . PRO B 2 7 ? -39.567 -47.046 -3.623 1.00 16.65 ? 5 PRO B O 1 ATOM 1530 C CB . PRO B 2 7 ? -38.927 -48.928 -6.039 1.00 19.78 ? 5 PRO B CB 1 ATOM 1531 C CG . PRO B 2 7 ? -39.618 -50.010 -5.273 1.00 21.38 ? 5 PRO B CG 1 ATOM 1532 C CD . PRO B 2 7 ? -38.640 -50.458 -4.237 1.00 21.93 ? 5 PRO B CD 1 ATOM 1533 N N . ARG B 2 8 ? -38.262 -45.817 -5.000 1.00 13.89 ? 6 ARG B N 1 ATOM 1534 C CA . ARG B 2 8 ? -38.865 -44.542 -4.630 1.00 12.18 ? 6 ARG B CA 1 ATOM 1535 C C . ARG B 2 8 ? -39.680 -43.975 -5.781 1.00 10.48 ? 6 ARG B C 1 ATOM 1536 O O . ARG B 2 8 ? -39.390 -44.236 -6.952 1.00 11.79 ? 6 ARG B O 1 ATOM 1537 C CB . ARG B 2 8 ? -37.790 -43.529 -4.224 1.00 12.13 ? 6 ARG B CB 1 ATOM 1538 C CG . ARG B 2 8 ? -37.644 -43.333 -2.721 1.00 12.56 ? 6 ARG B CG 1 ATOM 1539 C CD . ARG B 2 8 ? -37.154 -44.598 -2.035 1.00 14.59 ? 6 ARG B CD 1 ATOM 1540 N NE . ARG B 2 8 ? -37.164 -44.467 -0.581 1.00 15.47 ? 6 ARG B NE 1 ATOM 1541 C CZ . ARG B 2 8 ? -36.742 -45.408 0.260 1.00 17.52 ? 6 ARG B CZ 1 ATOM 1542 N NH1 . ARG B 2 8 ? -36.256 -46.556 -0.202 1.00 19.79 ? 6 ARG B NH1 1 ATOM 1543 N NH2 . ARG B 2 8 ? -36.796 -45.197 1.568 1.00 17.34 ? 6 ARG B NH2 1 ATOM 1544 N N . PHE B 2 9 ? -40.693 -43.183 -5.440 1.00 10.36 ? 7 PHE B N 1 ATOM 1545 C CA . PHE B 2 9 ? -41.549 -42.548 -6.427 1.00 12.23 ? 7 PHE B CA 1 ATOM 1546 C C . PHE B 2 9 ? -41.762 -41.103 -6.010 1.00 11.61 ? 7 PHE B C 1 ATOM 1547 O O . PHE B 2 9 ? -42.081 -40.827 -4.856 1.00 11.28 ? 7 PHE B O 1 ATOM 1548 C CB . PHE B 2 9 ? -42.891 -43.285 -6.521 1.00 10.85 ? 7 PHE B CB 1 ATOM 1549 C CG . PHE B 2 9 ? -42.746 -44.768 -6.727 1.00 11.86 ? 7 PHE B CG 1 ATOM 1550 C CD1 . PHE B 2 9 ? -42.745 -45.636 -5.645 1.00 16.38 ? 7 PHE B CD1 1 ATOM 1551 C CD2 . PHE B 2 9 ? -42.590 -45.291 -8.001 1.00 11.67 ? 7 PHE B CD2 1 ATOM 1552 C CE1 . PHE B 2 9 ? -42.597 -47.002 -5.829 1.00 19.30 ? 7 PHE B CE1 1 ATOM 1553 C CE2 . PHE B 2 9 ? -42.442 -46.657 -8.192 1.00 14.46 ? 7 PHE B CE2 1 ATOM 1554 C CZ . PHE B 2 9 ? -42.447 -47.512 -7.107 1.00 16.84 ? 7 PHE B CZ 1 ATOM 1555 N N . LEU B 2 10 ? -41.566 -40.180 -6.944 1.00 8.88 ? 8 LEU B N 1 ATOM 1556 C CA . LEU B 2 10 ? -41.552 -38.761 -6.607 1.00 8.07 ? 8 LEU B CA 1 ATOM 1557 C C . LEU B 2 10 ? -42.520 -37.948 -7.455 1.00 9.25 ? 8 LEU B C 1 ATOM 1558 O O . LEU B 2 10 ? -42.539 -38.064 -8.676 1.00 10.84 ? 8 LEU B O 1 ATOM 1559 C CB . LEU B 2 10 ? -40.134 -38.204 -6.773 1.00 8.60 ? 8 LEU B CB 1 ATOM 1560 C CG . LEU B 2 10 ? -39.917 -36.715 -6.496 1.00 10.39 ? 8 LEU B CG 1 ATOM 1561 C CD1 . LEU B 2 10 ? -40.058 -36.416 -5.009 1.00 9.64 ? 8 LEU B CD1 1 ATOM 1562 C CD2 . LEU B 2 10 ? -38.543 -36.293 -7.002 1.00 11.16 ? 8 LEU B CD2 1 ATOM 1563 N N . GLU B 2 11 ? -43.312 -37.117 -6.789 1.00 6.70 ? 9 GLU B N 1 ATOM 1564 C CA . GLU B 2 11 ? -44.157 -36.151 -7.466 1.00 8.12 ? 9 GLU B CA 1 ATOM 1565 C C . GLU B 2 11 ? -43.647 -34.762 -7.115 1.00 8.65 ? 9 GLU B C 1 ATOM 1566 O O . GLU B 2 11 ? -43.379 -34.480 -5.952 1.00 9.54 ? 9 GLU B O 1 ATOM 1567 C CB . GLU B 2 11 ? -45.611 -36.298 -7.000 1.00 10.19 ? 9 GLU B CB 1 ATOM 1568 C CG . GLU B 2 11 ? -46.556 -35.231 -7.553 1.00 9.88 ? 9 GLU B CG 1 ATOM 1569 C CD . GLU B 2 11 ? -47.053 -35.530 -8.955 1.00 13.20 ? 9 GLU B CD 1 ATOM 1570 O OE1 . GLU B 2 11 ? -46.855 -36.658 -9.440 1.00 12.81 ? 9 GLU B OE1 1 ATOM 1571 O OE2 . GLU B 2 11 ? -47.652 -34.627 -9.578 1.00 12.25 ? 9 GLU B OE2 1 ATOM 1572 N N . GLN B 2 12 ? -43.489 -33.905 -8.121 1.00 6.80 ? 10 GLN B N 1 ATOM 1573 C CA . GLN B 2 12 ? -43.131 -32.511 -7.877 1.00 9.08 ? 10 GLN B CA 1 ATOM 1574 C C . GLN B 2 12 ? -44.148 -31.583 -8.533 1.00 10.26 ? 10 GLN B C 1 ATOM 1575 O O . GLN B 2 12 ? -44.737 -31.912 -9.557 1.00 8.58 ? 10 GLN B O 1 ATOM 1576 C CB . GLN B 2 12 ? -41.747 -32.183 -8.451 1.00 7.54 ? 10 GLN B CB 1 ATOM 1577 C CG . GLN B 2 12 ? -40.608 -33.057 -7.948 1.00 7.11 ? 10 GLN B CG 1 ATOM 1578 C CD . GLN B 2 12 ? -39.266 -32.502 -8.365 1.00 10.51 ? 10 GLN B CD 1 ATOM 1579 O OE1 . GLN B 2 12 ? -38.883 -31.408 -7.950 1.00 11.57 ? 10 GLN B OE1 1 ATOM 1580 N NE2 . GLN B 2 12 ? -38.547 -33.245 -9.195 1.00 10.27 ? 10 GLN B NE2 1 ATOM 1581 N N . VAL B 2 13 ? -44.353 -30.416 -7.934 1.00 8.16 ? 11 VAL B N 1 ATOM 1582 C CA . VAL B 2 13 ? -45.130 -29.371 -8.575 1.00 6.39 ? 11 VAL B CA 1 ATOM 1583 C C . VAL B 2 13 ? -44.348 -28.077 -8.472 1.00 8.49 ? 11 VAL B C 1 ATOM 1584 O O . VAL B 2 13 ? -43.786 -27.764 -7.418 1.00 8.77 ? 11 VAL B O 1 ATOM 1585 C CB . VAL B 2 13 ? -46.520 -29.181 -7.924 1.00 8.87 ? 11 VAL B CB 1 ATOM 1586 C CG1 . VAL B 2 13 ? -47.342 -28.180 -8.725 1.00 9.15 ? 11 VAL B CG1 1 ATOM 1587 C CG2 . VAL B 2 13 ? -47.259 -30.505 -7.816 1.00 10.00 ? 11 VAL B CG2 1 ATOM 1588 N N . LYS B 2 14 ? -44.281 -27.337 -9.573 1.00 9.16 ? 12 LYS B N 1 ATOM 1589 C CA . LYS B 2 14 ? -43.658 -26.020 -9.551 1.00 6.74 ? 12 LYS B CA 1 ATOM 1590 C C . LYS B 2 14 ? -44.633 -25.014 -10.141 1.00 9.17 ? 12 LYS B C 1 ATOM 1591 O O . LYS B 2 14 ? -45.044 -25.140 -11.294 1.00 9.98 ? 12 LYS B O 1 ATOM 1592 C CB . LYS B 2 14 ? -42.333 -26.028 -10.321 1.00 6.72 ? 12 LYS B CB 1 ATOM 1593 C CG . LYS B 2 14 ? -41.311 -26.954 -9.671 1.00 6.50 ? 12 LYS B CG 1 ATOM 1594 C CD . LYS B 2 14 ? -39.964 -26.968 -10.365 1.00 7.51 ? 12 LYS B CD 1 ATOM 1595 C CE . LYS B 2 14 ? -39.035 -27.895 -9.604 1.00 9.31 ? 12 LYS B CE 1 ATOM 1596 N NZ . LYS B 2 14 ? -37.651 -27.935 -10.167 1.00 9.16 ? 12 LYS B NZ 1 ATOM 1597 N N . HIS B 2 15 ? -45.020 -24.038 -9.329 1.00 9.11 ? 13 HIS B N 1 ATOM 1598 C CA . HIS B 2 15 ? -45.895 -22.970 -9.783 1.00 9.67 ? 13 HIS B CA 1 ATOM 1599 C C . HIS B 2 15 ? -44.979 -21.772 -9.966 1.00 10.71 ? 13 HIS B C 1 ATOM 1600 O O . HIS B 2 15 ? -44.513 -21.194 -8.980 1.00 10.92 ? 13 HIS B O 1 ATOM 1601 C CB . HIS B 2 15 ? -46.974 -22.642 -8.737 1.00 10.26 ? 13 HIS B CB 1 ATOM 1602 C CG . HIS B 2 15 ? -47.659 -23.841 -8.141 1.00 8.85 ? 13 HIS B CG 1 ATOM 1603 N ND1 . HIS B 2 15 ? -48.775 -24.428 -8.703 1.00 10.41 ? 13 HIS B ND1 1 ATOM 1604 C CD2 . HIS B 2 15 ? -47.415 -24.530 -6.999 1.00 13.72 ? 13 HIS B CD2 1 ATOM 1605 C CE1 . HIS B 2 15 ? -49.175 -25.433 -7.946 1.00 12.11 ? 13 HIS B CE1 1 ATOM 1606 N NE2 . HIS B 2 15 ? -48.364 -25.518 -6.902 1.00 10.53 ? 13 HIS B NE2 1 ATOM 1607 N N . GLU B 2 16 ? -44.712 -21.404 -11.217 1.00 9.62 ? 14 GLU B N 1 ATOM 1608 C CA . GLU B 2 16 ? -43.670 -20.416 -11.505 1.00 9.95 ? 14 GLU B CA 1 ATOM 1609 C C . GLU B 2 16 ? -44.235 -19.085 -11.982 1.00 11.65 ? 14 GLU B C 1 ATOM 1610 O O . GLU B 2 16 ? -45.122 -19.045 -12.832 1.00 11.48 ? 14 GLU B O 1 ATOM 1611 C CB . GLU B 2 16 ? -42.697 -20.944 -12.564 1.00 9.67 ? 14 GLU B CB 1 ATOM 1612 C CG . GLU B 2 16 ? -42.142 -22.329 -12.261 1.00 11.00 ? 14 GLU B CG 1 ATOM 1613 C CD . GLU B 2 16 ? -41.095 -22.764 -13.266 1.00 12.44 ? 14 GLU B CD 1 ATOM 1614 O OE1 . GLU B 2 16 ? -40.810 -21.993 -14.202 1.00 14.63 ? 14 GLU B OE1 1 ATOM 1615 O OE2 . GLU B 2 16 ? -40.551 -23.878 -13.119 1.00 14.40 ? 14 GLU B OE2 1 ATOM 1616 N N . CYS B 2 17 ? -43.695 -18.003 -11.437 1.00 10.72 ? 15 CYS B N 1 ATOM 1617 C CA . CYS B 2 17 ? -44.019 -16.660 -11.887 1.00 10.22 ? 15 CYS B CA 1 ATOM 1618 C C . CYS B 2 17 ? -42.768 -16.018 -12.455 1.00 13.12 ? 15 CYS B C 1 ATOM 1619 O O . CYS B 2 17 ? -41.773 -15.850 -11.748 1.00 13.30 ? 15 CYS B O 1 ATOM 1620 C CB . CYS B 2 17 ? -44.556 -15.820 -10.732 1.00 10.70 ? 15 CYS B CB 1 ATOM 1621 S SG . CYS B 2 17 ? -46.147 -16.410 -10.117 1.00 14.68 ? 15 CYS B SG 1 ATOM 1622 N N . HIS B 2 18 ? -42.820 -15.676 -13.736 1.00 12.30 ? 16 HIS B N 1 ATOM 1623 C CA . HIS B 2 18 ? -41.695 -15.038 -14.417 1.00 14.34 ? 16 HIS B CA 1 ATOM 1624 C C . HIS B 2 18 ? -41.998 -13.565 -14.676 1.00 17.37 ? 16 HIS B C 1 ATOM 1625 O O . HIS B 2 18 ? -43.007 -13.234 -15.307 1.00 13.38 ? 16 HIS B O 1 ATOM 1626 C CB . HIS B 2 18 ? -41.407 -15.757 -15.734 1.00 13.60 ? 16 HIS B CB 1 ATOM 1627 C CG . HIS B 2 18 ? -41.027 -17.195 -15.561 1.00 14.01 ? 16 HIS B CG 1 ATOM 1628 N ND1 . HIS B 2 18 ? -39.765 -17.668 -15.835 1.00 18.73 ? 16 HIS B ND1 1 ATOM 1629 C CD2 . HIS B 2 18 ? -41.742 -18.254 -15.118 1.00 17.95 ? 16 HIS B CD2 1 ATOM 1630 C CE1 . HIS B 2 18 ? -39.720 -18.966 -15.581 1.00 16.75 ? 16 HIS B CE1 1 ATOM 1631 N NE2 . HIS B 2 18 ? -40.908 -19.345 -15.145 1.00 15.42 ? 16 HIS B NE2 1 ATOM 1632 N N . PHE B 2 19 ? -41.120 -12.692 -14.192 1.00 14.18 ? 17 PHE B N 1 ATOM 1633 C CA . PHE B 2 19 ? -41.318 -11.248 -14.277 1.00 16.69 ? 17 PHE B CA 1 ATOM 1634 C C . PHE B 2 19 ? -40.319 -10.574 -15.206 1.00 18.30 ? 17 PHE B C 1 ATOM 1635 O O . PHE B 2 19 ? -39.120 -10.840 -15.137 1.00 19.38 ? 17 PHE B O 1 ATOM 1636 C CB . PHE B 2 19 ? -41.213 -10.617 -12.887 1.00 16.89 ? 17 PHE B CB 1 ATOM 1637 C CG . PHE B 2 19 ? -42.161 -11.206 -11.891 1.00 17.05 ? 17 PHE B CG 1 ATOM 1638 C CD1 . PHE B 2 19 ? -41.791 -12.305 -11.132 1.00 14.04 ? 17 PHE B CD1 1 ATOM 1639 C CD2 . PHE B 2 19 ? -43.427 -10.666 -11.718 1.00 16.14 ? 17 PHE B CD2 1 ATOM 1640 C CE1 . PHE B 2 19 ? -42.665 -12.863 -10.220 1.00 14.79 ? 17 PHE B CE1 1 ATOM 1641 C CE2 . PHE B 2 19 ? -44.311 -11.219 -10.805 1.00 14.40 ? 17 PHE B CE2 1 ATOM 1642 C CZ . PHE B 2 19 ? -43.931 -12.321 -10.054 1.00 13.55 ? 17 PHE B CZ 1 ATOM 1643 N N . PHE B 2 20 ? -40.829 -9.695 -16.063 1.00 17.37 ? 18 PHE B N 1 ATOM 1644 C CA . PHE B 2 20 ? -40.003 -8.920 -16.986 1.00 23.31 ? 18 PHE B CA 1 ATOM 1645 C C . PHE B 2 20 ? -40.351 -7.451 -16.780 1.00 25.68 ? 18 PHE B C 1 ATOM 1646 O O . PHE B 2 20 ? -41.528 -7.093 -16.805 1.00 23.87 ? 18 PHE B O 1 ATOM 1647 C CB . PHE B 2 20 ? -40.308 -9.298 -18.443 1.00 30.00 ? 18 PHE B CB 1 ATOM 1648 C CG . PHE B 2 20 ? -40.316 -10.786 -18.719 1.00 35.30 ? 18 PHE B CG 1 ATOM 1649 C CD1 . PHE B 2 20 ? -41.371 -11.588 -18.295 1.00 35.69 ? 18 PHE B CD1 1 ATOM 1650 C CD2 . PHE B 2 20 ? -39.292 -11.375 -19.443 1.00 40.39 ? 18 PHE B CD2 1 ATOM 1651 C CE1 . PHE B 2 20 ? -41.383 -12.947 -18.554 1.00 35.98 ? 18 PHE B CE1 1 ATOM 1652 C CE2 . PHE B 2 20 ? -39.305 -12.735 -19.715 1.00 38.12 ? 18 PHE B CE2 1 ATOM 1653 C CZ . PHE B 2 20 ? -40.350 -13.522 -19.263 1.00 37.51 ? 18 PHE B CZ 1 ATOM 1654 N N . ASN B 2 21 ? -39.343 -6.604 -16.578 1.00 24.97 ? 19 ASN B N 1 ATOM 1655 C CA . ASN B 2 21 ? -39.572 -5.170 -16.403 1.00 33.55 ? 19 ASN B CA 1 ATOM 1656 C C . ASN B 2 21 ? -40.558 -4.932 -15.261 1.00 32.79 ? 19 ASN B C 1 ATOM 1657 O O . ASN B 2 21 ? -41.654 -4.417 -15.466 1.00 31.74 ? 19 ASN B O 1 ATOM 1658 C CB . ASN B 2 21 ? -40.072 -4.555 -17.719 1.00 41.02 ? 19 ASN B CB 1 ATOM 1659 C CG . ASN B 2 21 ? -40.329 -3.061 -17.622 1.00 49.68 ? 19 ASN B CG 1 ATOM 1660 O OD1 . ASN B 2 21 ? -39.772 -2.373 -16.768 1.00 44.58 ? 19 ASN B OD1 1 ATOM 1661 N ND2 . ASN B 2 21 ? -41.196 -2.558 -18.499 1.00 66.27 ? 19 ASN B ND2 1 ATOM 1662 N N . GLY B 2 22 ? -40.168 -5.341 -14.059 1.00 35.01 ? 20 GLY B N 1 ATOM 1663 C CA . GLY B 2 22 ? -41.059 -5.291 -12.916 1.00 36.53 ? 20 GLY B CA 1 ATOM 1664 C C . GLY B 2 22 ? -42.230 -6.236 -13.109 1.00 30.51 ? 20 GLY B C 1 ATOM 1665 O O . GLY B 2 22 ? -42.042 -7.416 -13.391 1.00 34.32 ? 20 GLY B O 1 ATOM 1666 N N . THR B 2 23 ? -43.444 -5.709 -12.974 1.00 25.61 ? 21 THR B N 1 ATOM 1667 C CA . THR B 2 23 ? -44.651 -6.501 -13.173 1.00 21.71 ? 21 THR B CA 1 ATOM 1668 C C . THR B 2 23 ? -45.353 -6.120 -14.472 1.00 23.01 ? 21 THR B C 1 ATOM 1669 O O . THR B 2 23 ? -46.527 -6.425 -14.657 1.00 22.70 ? 21 THR B O 1 ATOM 1670 C CB . THR B 2 23 ? -45.653 -6.304 -12.019 1.00 22.99 ? 21 THR B CB 1 ATOM 1671 O OG1 . THR B 2 23 ? -45.918 -4.907 -11.851 1.00 25.73 ? 21 THR B OG1 1 ATOM 1672 C CG2 . THR B 2 23 ? -45.100 -6.863 -10.722 1.00 25.40 ? 21 THR B CG2 1 ATOM 1673 N N . GLU B 2 24 ? -44.633 -5.445 -15.364 1.00 24.25 ? 22 GLU B N 1 ATOM 1674 C CA . GLU B 2 24 ? -45.204 -5.014 -16.638 1.00 25.30 ? 22 GLU B CA 1 ATOM 1675 C C . GLU B 2 24 ? -45.552 -6.199 -17.526 1.00 24.64 ? 22 GLU B C 1 ATOM 1676 O O . GLU B 2 24 ? -46.592 -6.209 -18.181 1.00 23.70 ? 22 GLU B O 1 ATOM 1677 C CB . GLU B 2 24 ? -44.241 -4.079 -17.369 1.00 28.54 ? 22 GLU B CB 1 ATOM 1678 C CG . GLU B 2 24 ? -44.118 -2.712 -16.721 1.00 38.52 ? 22 GLU B CG 1 ATOM 1679 C CD . GLU B 2 24 ? -45.456 -2.007 -16.610 1.00 46.16 ? 22 GLU B CD 1 ATOM 1680 O OE1 . GLU B 2 24 ? -46.205 -1.994 -17.610 1.00 45.96 ? 22 GLU B OE1 1 ATOM 1681 O OE2 . GLU B 2 24 ? -45.764 -1.477 -15.521 1.00 52.85 ? 22 GLU B OE2 1 ATOM 1682 N N . ARG B 2 25 ? -44.668 -7.190 -17.547 1.00 19.26 ? 23 ARG B N 1 ATOM 1683 C CA . ARG B 2 25 ? -44.901 -8.427 -18.271 1.00 21.56 ? 23 ARG B CA 1 ATOM 1684 C C . ARG B 2 25 ? -44.691 -9.591 -17.313 1.00 20.48 ? 23 ARG B C 1 ATOM 1685 O O . ARG B 2 25 ? -43.656 -9.685 -16.652 1.00 18.79 ? 23 ARG B O 1 ATOM 1686 C CB . ARG B 2 25 ? -43.950 -8.543 -19.461 1.00 22.43 ? 23 ARG B CB 1 ATOM 1687 C CG . ARG B 2 25 ? -44.116 -7.443 -20.494 1.00 29.73 ? 23 ARG B CG 1 ATOM 1688 C CD . ARG B 2 25 ? -45.453 -7.552 -21.200 1.00 39.04 ? 23 ARG B CD 1 ATOM 1689 N NE . ARG B 2 25 ? -45.828 -6.309 -21.872 1.00 46.15 ? 23 ARG B NE 1 ATOM 1690 C CZ . ARG B 2 25 ? -45.407 -5.952 -23.081 1.00 53.79 ? 23 ARG B CZ 1 ATOM 1691 N NH1 . ARG B 2 25 ? -45.806 -4.801 -23.608 1.00 53.22 ? 23 ARG B NH1 1 ATOM 1692 N NH2 . ARG B 2 25 ? -44.587 -6.743 -23.764 1.00 57.75 ? 23 ARG B NH2 1 ATOM 1693 N N . VAL B 2 26 ? -45.687 -10.465 -17.218 1.00 15.75 ? 24 VAL B N 1 ATOM 1694 C CA . VAL B 2 26 ? -45.636 -11.586 -16.290 1.00 14.49 ? 24 VAL B CA 1 ATOM 1695 C C . VAL B 2 26 ? -46.132 -12.848 -16.979 1.00 13.56 ? 24 VAL B C 1 ATOM 1696 O O . VAL B 2 26 ? -47.138 -12.821 -17.696 1.00 17.05 ? 24 VAL B O 1 ATOM 1697 C CB . VAL B 2 26 ? -46.516 -11.326 -15.039 1.00 15.65 ? 24 VAL B CB 1 ATOM 1698 C CG1 . VAL B 2 26 ? -46.490 -12.523 -14.090 1.00 15.50 ? 24 VAL B CG1 1 ATOM 1699 C CG2 . VAL B 2 26 ? -46.077 -10.051 -14.320 1.00 15.43 ? 24 VAL B CG2 1 ATOM 1700 N N . ARG B 2 27 ? -45.413 -13.944 -16.771 1.00 12.72 ? 25 ARG B N 1 ATOM 1701 C CA . ARG B 2 27 ? -45.805 -15.242 -17.305 1.00 14.65 ? 25 ARG B CA 1 ATOM 1702 C C . ARG B 2 27 ? -45.926 -16.243 -16.165 1.00 14.08 ? 25 ARG B C 1 ATOM 1703 O O . ARG B 2 27 ? -45.062 -16.310 -15.291 1.00 15.83 ? 25 ARG B O 1 ATOM 1704 C CB . ARG B 2 27 ? -44.774 -15.718 -18.331 1.00 14.37 ? 25 ARG B CB 1 ATOM 1705 C CG . ARG B 2 27 ? -45.112 -17.040 -18.995 1.00 19.00 ? 25 ARG B CG 1 ATOM 1706 C CD . ARG B 2 27 ? -44.122 -17.353 -20.109 1.00 21.37 ? 25 ARG B CD 1 ATOM 1707 N NE . ARG B 2 27 ? -44.204 -18.744 -20.545 1.00 25.86 ? 25 ARG B NE 1 ATOM 1708 C CZ . ARG B 2 27 ? -43.430 -19.275 -21.485 1.00 39.69 ? 25 ARG B CZ 1 ATOM 1709 N NH1 . ARG B 2 27 ? -42.521 -18.526 -22.097 1.00 46.56 ? 25 ARG B NH1 1 ATOM 1710 N NH2 . ARG B 2 27 ? -43.564 -20.553 -21.815 1.00 42.53 ? 25 ARG B NH2 1 ATOM 1711 N N . PHE B 2 28 ? -47.005 -17.019 -16.170 1.00 10.52 ? 26 PHE B N 1 ATOM 1712 C CA . PHE B 2 28 ? -47.241 -18.000 -15.126 1.00 10.82 ? 26 PHE B CA 1 ATOM 1713 C C . PHE B 2 28 ? -47.219 -19.409 -15.705 1.00 11.10 ? 26 PHE B C 1 ATOM 1714 O O . PHE B 2 28 ? -47.851 -19.673 -16.729 1.00 11.09 ? 26 PHE B O 1 ATOM 1715 C CB . PHE B 2 28 ? -48.606 -17.736 -14.468 1.00 9.45 ? 26 PHE B CB 1 ATOM 1716 C CG . PHE B 2 28 ? -49.085 -18.856 -13.603 1.00 9.24 ? 26 PHE B CG 1 ATOM 1717 C CD1 . PHE B 2 28 ? -48.468 -19.132 -12.390 1.00 10.75 ? 26 PHE B CD1 1 ATOM 1718 C CD2 . PHE B 2 28 ? -50.164 -19.634 -13.997 1.00 8.79 ? 26 PHE B CD2 1 ATOM 1719 C CE1 . PHE B 2 28 ? -48.910 -20.175 -11.594 1.00 13.46 ? 26 PHE B CE1 1 ATOM 1720 C CE2 . PHE B 2 28 ? -50.613 -20.675 -13.203 1.00 9.85 ? 26 PHE B CE2 1 ATOM 1721 C CZ . PHE B 2 28 ? -49.986 -20.944 -12.003 1.00 11.29 ? 26 PHE B CZ 1 ATOM 1722 N N . LEU B 2 29 ? -46.501 -20.306 -15.038 1.00 10.79 ? 27 LEU B N 1 ATOM 1723 C CA . LEU B 2 29 ? -46.480 -21.723 -15.395 1.00 12.21 ? 27 LEU B CA 1 ATOM 1724 C C . LEU B 2 29 ? -46.921 -22.598 -14.224 1.00 13.95 ? 27 LEU B C 1 ATOM 1725 O O . LEU B 2 29 ? -46.398 -22.466 -13.118 1.00 17.28 ? 27 LEU B O 1 ATOM 1726 C CB . LEU B 2 29 ? -45.066 -22.132 -15.810 1.00 13.74 ? 27 LEU B CB 1 ATOM 1727 C CG . LEU B 2 29 ? -44.426 -21.405 -16.986 1.00 18.69 ? 27 LEU B CG 1 ATOM 1728 C CD1 . LEU B 2 29 ? -42.988 -21.858 -17.126 1.00 23.09 ? 27 LEU B CD1 1 ATOM 1729 C CD2 . LEU B 2 29 ? -45.199 -21.689 -18.267 1.00 20.39 ? 27 LEU B CD2 1 ATOM 1730 N N . ASP B 2 30 ? -47.871 -23.499 -14.473 1.00 10.85 ? 28 ASP B N 1 ATOM 1731 C CA . ASP B 2 30 ? -48.318 -24.474 -13.478 1.00 11.18 ? 28 ASP B CA 1 ATOM 1732 C C . ASP B 2 30 ? -47.754 -25.797 -13.983 1.00 12.29 ? 28 ASP B C 1 ATOM 1733 O O . ASP B 2 30 ? -48.240 -26.327 -14.978 1.00 12.59 ? 28 ASP B O 1 ATOM 1734 C CB . ASP B 2 30 ? -49.861 -24.524 -13.460 1.00 15.21 ? 28 ASP B CB 1 ATOM 1735 C CG . ASP B 2 30 ? -50.448 -24.919 -12.101 1.00 19.51 ? 28 ASP B CG 1 ATOM 1736 O OD1 . ASP B 2 30 ? -50.030 -24.356 -11.069 1.00 18.28 ? 28 ASP B OD1 1 ATOM 1737 O OD2 . ASP B 2 30 ? -51.359 -25.783 -12.069 1.00 18.54 ? 28 ASP B OD2 1 ATOM 1738 N N . ARG B 2 31 ? -46.712 -26.312 -13.329 1.00 10.46 ? 29 ARG B N 1 ATOM 1739 C CA . ARG B 2 31 ? -45.959 -27.455 -13.864 1.00 8.52 ? 29 ARG B CA 1 ATOM 1740 C C . ARG B 2 31 ? -45.993 -28.663 -12.929 1.00 9.96 ? 29 ARG B C 1 ATOM 1741 O O . ARG B 2 31 ? -45.782 -28.525 -11.720 1.00 10.14 ? 29 ARG B O 1 ATOM 1742 C CB . ARG B 2 31 ? -44.496 -27.057 -14.101 1.00 8.26 ? 29 ARG B CB 1 ATOM 1743 C CG . ARG B 2 31 ? -44.313 -25.723 -14.818 1.00 10.90 ? 29 ARG B CG 1 ATOM 1744 C CD . ARG B 2 31 ? -42.819 -25.381 -14.921 1.00 10.88 ? 29 ARG B CD 1 ATOM 1745 N NE . ARG B 2 31 ? -42.115 -26.287 -15.819 1.00 9.04 ? 29 ARG B NE 1 ATOM 1746 C CZ . ARG B 2 31 ? -40.791 -26.331 -15.958 1.00 10.63 ? 29 ARG B CZ 1 ATOM 1747 N NH1 . ARG B 2 31 ? -40.010 -25.516 -15.251 1.00 11.01 ? 29 ARG B NH1 1 ATOM 1748 N NH2 . ARG B 2 31 ? -40.241 -27.183 -16.815 1.00 11.85 ? 29 ARG B NH2 1 ATOM 1749 N N . TYR B 2 32 ? -46.247 -29.842 -13.496 1.00 9.61 ? 30 TYR B N 1 ATOM 1750 C CA . TYR B 2 32 ? -46.352 -31.087 -12.727 1.00 9.80 ? 30 TYR B CA 1 ATOM 1751 C C . TYR B 2 32 ? -45.341 -32.110 -13.224 1.00 11.00 ? 30 TYR B C 1 ATOM 1752 O O . TYR B 2 32 ? -45.171 -32.279 -14.432 1.00 10.41 ? 30 TYR B O 1 ATOM 1753 C CB . TYR B 2 32 ? -47.781 -31.655 -12.812 1.00 9.79 ? 30 TYR B CB 1 ATOM 1754 C CG . TYR B 2 32 ? -48.782 -30.725 -12.179 1.00 10.25 ? 30 TYR B CG 1 ATOM 1755 C CD1 . TYR B 2 32 ? -49.240 -29.600 -12.860 1.00 8.68 ? 30 TYR B CD1 1 ATOM 1756 C CD2 . TYR B 2 32 ? -49.240 -30.942 -10.886 1.00 12.97 ? 30 TYR B CD2 1 ATOM 1757 C CE1 . TYR B 2 32 ? -50.127 -28.720 -12.267 1.00 12.91 ? 30 TYR B CE1 1 ATOM 1758 C CE2 . TYR B 2 32 ? -50.140 -30.067 -10.290 1.00 12.33 ? 30 TYR B CE2 1 ATOM 1759 C CZ . TYR B 2 32 ? -50.573 -28.959 -10.986 1.00 16.22 ? 30 TYR B CZ 1 ATOM 1760 O OH . TYR B 2 32 ? -51.459 -28.076 -10.400 1.00 15.38 ? 30 TYR B OH 1 ATOM 1761 N N . PHE B 2 33 ? -44.669 -32.782 -12.288 1.00 7.83 ? 31 PHE B N 1 ATOM 1762 C CA . PHE B 2 33 ? -43.562 -33.690 -12.617 1.00 8.46 ? 31 PHE B CA 1 ATOM 1763 C C . PHE B 2 33 ? -43.705 -35.038 -11.926 1.00 7.29 ? 31 PHE B C 1 ATOM 1764 O O . PHE B 2 33 ? -44.085 -35.117 -10.760 1.00 8.50 ? 31 PHE B O 1 ATOM 1765 C CB . PHE B 2 33 ? -42.206 -33.101 -12.182 1.00 11.62 ? 31 PHE B CB 1 ATOM 1766 C CG . PHE B 2 33 ? -41.963 -31.690 -12.641 1.00 11.91 ? 31 PHE B CG 1 ATOM 1767 C CD1 . PHE B 2 33 ? -42.544 -30.621 -11.977 1.00 7.84 ? 31 PHE B CD1 1 ATOM 1768 C CD2 . PHE B 2 33 ? -41.121 -31.430 -13.713 1.00 11.93 ? 31 PHE B CD2 1 ATOM 1769 C CE1 . PHE B 2 33 ? -42.317 -29.312 -12.401 1.00 9.05 ? 31 PHE B CE1 1 ATOM 1770 C CE2 . PHE B 2 33 ? -40.887 -30.122 -14.142 1.00 10.16 ? 31 PHE B CE2 1 ATOM 1771 C CZ . PHE B 2 33 ? -41.478 -29.069 -13.485 1.00 8.96 ? 31 PHE B CZ 1 ATOM 1772 N N . TYR B 2 34 ? -43.368 -36.100 -12.647 1.00 9.17 ? 32 TYR B N 1 ATOM 1773 C CA . TYR B 2 34 ? -43.222 -37.412 -12.049 1.00 8.76 ? 32 TYR B CA 1 ATOM 1774 C C . TYR B 2 34 ? -41.730 -37.753 -12.132 1.00 11.34 ? 32 TYR B C 1 ATOM 1775 O O . TYR B 2 34 ? -41.176 -37.833 -13.225 1.00 12.38 ? 32 TYR B O 1 ATOM 1776 C CB . TYR B 2 34 ? -44.093 -38.421 -12.803 1.00 10.02 ? 32 TYR B CB 1 ATOM 1777 C CG . TYR B 2 34 ? -44.004 -39.820 -12.253 1.00 9.31 ? 32 TYR B CG 1 ATOM 1778 C CD1 . TYR B 2 34 ? -44.461 -40.111 -10.976 1.00 10.60 ? 32 TYR B CD1 1 ATOM 1779 C CD2 . TYR B 2 34 ? -43.451 -40.847 -13.008 1.00 11.40 ? 32 TYR B CD2 1 ATOM 1780 C CE1 . TYR B 2 34 ? -44.374 -41.394 -10.463 1.00 10.16 ? 32 TYR B CE1 1 ATOM 1781 C CE2 . TYR B 2 34 ? -43.350 -42.132 -12.504 1.00 10.39 ? 32 TYR B CE2 1 ATOM 1782 C CZ . TYR B 2 34 ? -43.816 -42.398 -11.231 1.00 10.25 ? 32 TYR B CZ 1 ATOM 1783 O OH . TYR B 2 34 ? -43.720 -43.668 -10.726 1.00 11.70 ? 32 TYR B OH 1 ATOM 1784 N N . HIS B 2 35 ? -41.083 -37.918 -10.976 1.00 11.01 ? 33 HIS B N 1 ATOM 1785 C CA . HIS B 2 35 ? -39.616 -37.921 -10.870 1.00 12.66 ? 33 HIS B CA 1 ATOM 1786 C C . HIS B 2 35 ? -39.072 -36.592 -11.423 1.00 13.45 ? 33 HIS B C 1 ATOM 1787 O O . HIS B 2 35 ? -39.349 -35.542 -10.840 1.00 15.46 ? 33 HIS B O 1 ATOM 1788 C CB . HIS B 2 35 ? -38.980 -39.138 -11.556 1.00 12.63 ? 33 HIS B CB 1 ATOM 1789 C CG . HIS B 2 35 ? -39.621 -40.441 -11.193 1.00 13.14 ? 33 HIS B CG 1 ATOM 1790 N ND1 . HIS B 2 35 ? -40.238 -40.659 -9.977 1.00 13.76 ? 33 HIS B ND1 1 ATOM 1791 C CD2 . HIS B 2 35 ? -39.754 -41.593 -11.892 1.00 15.75 ? 33 HIS B CD2 1 ATOM 1792 C CE1 . HIS B 2 35 ? -40.720 -41.889 -9.945 1.00 17.24 ? 33 HIS B CE1 1 ATOM 1793 N NE2 . HIS B 2 35 ? -40.435 -42.479 -11.094 1.00 14.63 ? 33 HIS B NE2 1 ATOM 1794 N N . GLN B 2 36 ? -38.326 -36.632 -12.532 1.00 11.80 ? 34 GLN B N 1 ATOM 1795 C CA A GLN B 2 36 ? -37.887 -35.371 -13.139 0.65 11.97 ? 34 GLN B CA 1 ATOM 1796 C CA B GLN B 2 36 ? -37.784 -35.459 -13.226 0.35 14.62 ? 34 GLN B CA 1 ATOM 1797 C C . GLN B 2 36 ? -38.666 -35.013 -14.392 1.00 17.08 ? 34 GLN B C 1 ATOM 1798 O O . GLN B 2 36 ? -38.483 -33.930 -14.947 1.00 21.87 ? 34 GLN B O 1 ATOM 1799 C CB A GLN B 2 36 ? -36.390 -35.373 -13.470 0.65 16.23 ? 34 GLN B CB 1 ATOM 1800 C CB B GLN B 2 36 ? -36.424 -35.819 -13.839 0.35 18.32 ? 34 GLN B CB 1 ATOM 1801 C CG A GLN B 2 36 ? -35.487 -35.388 -12.277 0.65 17.32 ? 34 GLN B CG 1 ATOM 1802 C CG B GLN B 2 36 ? -35.197 -35.518 -13.011 0.35 20.42 ? 34 GLN B CG 1 ATOM 1803 C CD A GLN B 2 36 ? -35.301 -36.782 -11.737 0.65 17.22 ? 34 GLN B CD 1 ATOM 1804 C CD B GLN B 2 36 ? -33.979 -36.288 -13.505 0.35 25.17 ? 34 GLN B CD 1 ATOM 1805 O OE1 A GLN B 2 36 ? -35.840 -37.126 -10.691 0.65 16.35 ? 34 GLN B OE1 1 ATOM 1806 O OE1 B GLN B 2 36 ? -33.721 -37.404 -13.061 0.35 23.95 ? 34 GLN B OE1 1 ATOM 1807 N NE2 A GLN B 2 36 ? -34.535 -37.594 -12.450 0.65 22.86 ? 34 GLN B NE2 1 ATOM 1808 N NE2 B GLN B 2 36 ? -33.236 -35.701 -14.436 0.35 28.10 ? 34 GLN B NE2 1 ATOM 1809 N N . GLU B 2 37 ? -39.564 -35.892 -14.816 1.00 13.06 ? 35 GLU B N 1 ATOM 1810 C CA A GLU B 2 37 ? -40.280 -35.720 -16.077 0.62 14.54 ? 35 GLU B CA 1 ATOM 1811 C CA B GLU B 2 37 ? -40.263 -35.696 -16.080 0.38 13.80 ? 35 GLU B CA 1 ATOM 1812 C C . GLU B 2 37 ? -41.504 -34.809 -15.937 1.00 11.23 ? 35 GLU B C 1 ATOM 1813 O O . GLU B 2 37 ? -42.475 -35.155 -15.261 1.00 12.51 ? 35 GLU B O 1 ATOM 1814 C CB A GLU B 2 37 ? -40.705 -37.095 -16.614 0.62 18.48 ? 35 GLU B CB 1 ATOM 1815 C CB B GLU B 2 37 ? -40.576 -37.050 -16.755 0.38 18.24 ? 35 GLU B CB 1 ATOM 1816 C CG A GLU B 2 37 ? -41.678 -37.059 -17.792 0.62 21.15 ? 35 GLU B CG 1 ATOM 1817 C CG B GLU B 2 37 ? -41.696 -37.872 -16.115 0.38 21.31 ? 35 GLU B CG 1 ATOM 1818 C CD A GLU B 2 37 ? -42.296 -38.422 -18.083 0.62 25.54 ? 35 GLU B CD 1 ATOM 1819 C CD B GLU B 2 37 ? -41.449 -39.375 -16.146 0.38 21.86 ? 35 GLU B CD 1 ATOM 1820 O OE1 A GLU B 2 37 ? -43.387 -38.474 -18.687 0.62 27.00 ? 35 GLU B OE1 1 ATOM 1821 O OE1 B GLU B 2 37 ? -40.729 -39.896 -15.257 0.38 9.28 ? 35 GLU B OE1 1 ATOM 1822 O OE2 A GLU B 2 37 ? -41.692 -39.442 -17.705 0.62 22.66 ? 35 GLU B OE2 1 ATOM 1823 O OE2 B GLU B 2 37 ? -41.992 -40.039 -17.056 0.38 26.55 ? 35 GLU B OE2 1 ATOM 1824 N N . GLU B 2 38 ? -41.459 -33.638 -16.567 1.00 11.97 ? 36 GLU B N 1 ATOM 1825 C CA . GLU B 2 38 ? -42.640 -32.788 -16.594 1.00 9.47 ? 36 GLU B CA 1 ATOM 1826 C C . GLU B 2 38 ? -43.679 -33.487 -17.470 1.00 12.20 ? 36 GLU B C 1 ATOM 1827 O O . GLU B 2 38 ? -43.376 -33.864 -18.600 1.00 13.11 ? 36 GLU B O 1 ATOM 1828 C CB . GLU B 2 38 ? -42.305 -31.412 -17.164 1.00 11.39 ? 36 GLU B CB 1 ATOM 1829 C CG . GLU B 2 38 ? -43.461 -30.427 -17.063 1.00 10.42 ? 36 GLU B CG 1 ATOM 1830 C CD . GLU B 2 38 ? -43.095 -29.046 -17.560 1.00 11.55 ? 36 GLU B CD 1 ATOM 1831 O OE1 . GLU B 2 38 ? -42.054 -28.917 -18.244 1.00 12.58 ? 36 GLU B OE1 1 ATOM 1832 O OE2 . GLU B 2 38 ? -43.843 -28.096 -17.256 1.00 11.42 ? 36 GLU B OE2 1 ATOM 1833 N N . TYR B 2 39 ? -44.894 -33.680 -16.961 1.00 8.50 ? 37 TYR B N 1 ATOM 1834 C CA . TYR B 2 39 ? -45.899 -34.400 -17.748 1.00 9.91 ? 37 TYR B CA 1 ATOM 1835 C C . TYR B 2 39 ? -47.082 -33.551 -18.204 1.00 11.46 ? 37 TYR B C 1 ATOM 1836 O O . TYR B 2 39 ? -47.742 -33.874 -19.197 1.00 10.02 ? 37 TYR B O 1 ATOM 1837 C CB . TYR B 2 39 ? -46.382 -35.673 -17.028 1.00 10.29 ? 37 TYR B CB 1 ATOM 1838 C CG . TYR B 2 39 ? -47.047 -35.480 -15.666 1.00 9.74 ? 37 TYR B CG 1 ATOM 1839 C CD1 . TYR B 2 39 ? -48.422 -35.250 -15.556 1.00 10.87 ? 37 TYR B CD1 1 ATOM 1840 C CD2 . TYR B 2 39 ? -46.308 -35.586 -14.487 1.00 10.32 ? 37 TYR B CD2 1 ATOM 1841 C CE1 . TYR B 2 39 ? -49.034 -35.102 -14.305 1.00 9.15 ? 37 TYR B CE1 1 ATOM 1842 C CE2 . TYR B 2 39 ? -46.914 -35.436 -13.233 1.00 9.56 ? 37 TYR B CE2 1 ATOM 1843 C CZ . TYR B 2 39 ? -48.272 -35.192 -13.154 1.00 9.96 ? 37 TYR B CZ 1 ATOM 1844 O OH . TYR B 2 39 ? -48.866 -35.053 -11.920 1.00 10.45 ? 37 TYR B OH 1 ATOM 1845 N N . VAL B 2 40 ? -47.348 -32.465 -17.494 1.00 10.27 ? 38 VAL B N 1 ATOM 1846 C CA . VAL B 2 40 ? -48.417 -31.559 -17.901 1.00 10.02 ? 38 VAL B CA 1 ATOM 1847 C C . VAL B 2 40 ? -48.127 -30.144 -17.392 1.00 11.01 ? 38 VAL B C 1 ATOM 1848 O O . VAL B 2 40 ? -47.493 -29.960 -16.350 1.00 9.31 ? 38 VAL B O 1 ATOM 1849 C CB . VAL B 2 40 ? -49.815 -32.074 -17.447 1.00 10.06 ? 38 VAL B CB 1 ATOM 1850 C CG1 . VAL B 2 40 ? -49.972 -31.980 -15.936 1.00 10.32 ? 38 VAL B CG1 1 ATOM 1851 C CG2 . VAL B 2 40 ? -50.938 -31.317 -18.170 1.00 11.11 ? 38 VAL B CG2 1 ATOM 1852 N N . ARG B 2 41 ? -48.571 -29.144 -18.144 1.00 8.83 ? 39 ARG B N 1 ATOM 1853 C CA . ARG B 2 41 ? -48.240 -27.770 -17.809 1.00 9.74 ? 39 ARG B CA 1 ATOM 1854 C C . ARG B 2 41 ? -49.329 -26.809 -18.259 1.00 11.06 ? 39 ARG B C 1 ATOM 1855 O O . ARG B 2 41 ? -49.901 -26.973 -19.339 1.00 10.54 ? 39 ARG B O 1 ATOM 1856 C CB . ARG B 2 41 ? -46.908 -27.412 -18.482 1.00 11.41 ? 39 ARG B CB 1 ATOM 1857 C CG . ARG B 2 41 ? -46.693 -25.950 -18.764 1.00 23.05 ? 39 ARG B CG 1 ATOM 1858 C CD . ARG B 2 41 ? -45.681 -25.769 -19.885 1.00 21.04 ? 39 ARG B CD 1 ATOM 1859 N NE . ARG B 2 41 ? -44.386 -26.361 -19.563 1.00 17.38 ? 39 ARG B NE 1 ATOM 1860 C CZ . ARG B 2 41 ? -43.245 -25.960 -20.114 1.00 21.31 ? 39 ARG B CZ 1 ATOM 1861 N NH1 . ARG B 2 41 ? -43.258 -24.973 -21.006 1.00 20.15 ? 39 ARG B NH1 1 ATOM 1862 N NH2 . ARG B 2 41 ? -42.092 -26.534 -19.779 1.00 22.30 ? 39 ARG B NH2 1 ATOM 1863 N N . PHE B 2 42 ? -49.623 -25.813 -17.418 1.00 8.59 ? 40 PHE B N 1 ATOM 1864 C CA . PHE B 2 42 ? -50.399 -24.654 -17.852 1.00 8.09 ? 40 PHE B CA 1 ATOM 1865 C C . PHE B 2 42 ? -49.427 -23.512 -18.082 1.00 13.00 ? 40 PHE B C 1 ATOM 1866 O O . PHE B 2 42 ? -48.675 -23.148 -17.186 1.00 13.76 ? 40 PHE B O 1 ATOM 1867 C CB . PHE B 2 42 ? -51.444 -24.241 -16.803 1.00 8.77 ? 40 PHE B CB 1 ATOM 1868 C CG . PHE B 2 42 ? -52.204 -22.977 -17.150 1.00 8.67 ? 40 PHE B CG 1 ATOM 1869 C CD1 . PHE B 2 42 ? -53.453 -23.044 -17.761 1.00 9.44 ? 40 PHE B CD1 1 ATOM 1870 C CD2 . PHE B 2 42 ? -51.670 -21.720 -16.857 1.00 9.03 ? 40 PHE B CD2 1 ATOM 1871 C CE1 . PHE B 2 42 ? -54.162 -21.884 -18.077 1.00 11.90 ? 40 PHE B CE1 1 ATOM 1872 C CE2 . PHE B 2 42 ? -52.368 -20.558 -17.177 1.00 9.07 ? 40 PHE B CE2 1 ATOM 1873 C CZ . PHE B 2 42 ? -53.617 -20.645 -17.792 1.00 11.12 ? 40 PHE B CZ 1 ATOM 1874 N N . ASP B 2 43 ? -49.451 -22.955 -19.285 1.00 9.28 ? 41 ASP B N 1 ATOM 1875 C CA . ASP B 2 43 ? -48.629 -21.798 -19.631 1.00 9.65 ? 41 ASP B CA 1 ATOM 1876 C C . ASP B 2 43 ? -49.581 -20.635 -19.896 1.00 10.30 ? 41 ASP B C 1 ATOM 1877 O O . ASP B 2 43 ? -50.471 -20.735 -20.743 1.00 11.02 ? 41 ASP B O 1 ATOM 1878 C CB . ASP B 2 43 ? -47.820 -22.121 -20.891 1.00 11.41 ? 41 ASP B CB 1 ATOM 1879 C CG . ASP B 2 43 ? -46.864 -21.013 -21.295 1.00 15.10 ? 41 ASP B CG 1 ATOM 1880 O OD1 . ASP B 2 43 ? -46.961 -19.871 -20.787 1.00 15.08 ? 41 ASP B OD1 1 ATOM 1881 O OD2 . ASP B 2 43 ? -46.002 -21.295 -22.155 1.00 16.14 ? 41 ASP B OD2 1 ATOM 1882 N N . SER B 2 44 ? -49.410 -19.534 -19.170 1.00 9.85 ? 42 SER B N 1 ATOM 1883 C CA . SER B 2 44 ? -50.315 -18.395 -19.337 1.00 10.61 ? 42 SER B CA 1 ATOM 1884 C C . SER B 2 44 ? -50.267 -17.788 -20.745 1.00 12.21 ? 42 SER B C 1 ATOM 1885 O O . SER B 2 44 ? -51.207 -17.101 -21.169 1.00 13.31 ? 42 SER B O 1 ATOM 1886 C CB . SER B 2 44 ? -50.051 -17.320 -18.274 1.00 14.20 ? 42 SER B CB 1 ATOM 1887 O OG . SER B 2 44 ? -48.746 -16.788 -18.394 1.00 13.15 ? 42 SER B OG 1 ATOM 1888 N N . ASP B 2 45 ? -49.185 -18.052 -21.477 1.00 12.40 ? 43 ASP B N 1 ATOM 1889 C CA . ASP B 2 45 ? -49.082 -17.621 -22.872 1.00 16.56 ? 43 ASP B CA 1 ATOM 1890 C C . ASP B 2 45 ? -50.120 -18.329 -23.742 1.00 13.04 ? 43 ASP B C 1 ATOM 1891 O O . ASP B 2 45 ? -50.513 -17.819 -24.799 1.00 14.11 ? 43 ASP B O 1 ATOM 1892 C CB . ASP B 2 45 ? -47.692 -17.928 -23.429 1.00 19.42 ? 43 ASP B CB 1 ATOM 1893 C CG . ASP B 2 45 ? -46.649 -16.917 -23.009 1.00 25.75 ? 43 ASP B CG 1 ATOM 1894 O OD1 . ASP B 2 45 ? -46.952 -16.023 -22.189 1.00 28.30 ? 43 ASP B OD1 1 ATOM 1895 O OD2 . ASP B 2 45 ? -45.511 -17.025 -23.509 1.00 29.25 ? 43 ASP B OD2 1 ATOM 1896 N N . VAL B 2 46 ? -50.540 -19.509 -23.295 1.00 12.16 ? 44 VAL B N 1 ATOM 1897 C CA . VAL B 2 46 ? -51.504 -20.329 -24.028 1.00 12.38 ? 44 VAL B CA 1 ATOM 1898 C C . VAL B 2 46 ? -52.903 -20.215 -23.429 1.00 12.40 ? 44 VAL B C 1 ATOM 1899 O O . VAL B 2 46 ? -53.874 -19.948 -24.139 1.00 16.74 ? 44 VAL B O 1 ATOM 1900 C CB . VAL B 2 46 ? -51.078 -21.815 -24.035 1.00 15.11 ? 44 VAL B CB 1 ATOM 1901 C CG1 . VAL B 2 46 ? -52.128 -22.666 -24.739 1.00 15.16 ? 44 VAL B CG1 1 ATOM 1902 C CG2 . VAL B 2 46 ? -49.722 -21.975 -24.704 1.00 16.96 ? 44 VAL B CG2 1 ATOM 1903 N N . GLY B 2 47 ? -53.012 -20.419 -22.123 1.00 12.34 ? 45 GLY B N 1 ATOM 1904 C CA . GLY B 2 47 ? -54.303 -20.282 -21.462 1.00 13.34 ? 45 GLY B CA 1 ATOM 1905 C C . GLY B 2 47 ? -55.057 -21.586 -21.275 1.00 11.94 ? 45 GLY B C 1 ATOM 1906 O O . GLY B 2 47 ? -56.227 -21.586 -20.892 1.00 12.33 ? 45 GLY B O 1 ATOM 1907 N N A GLU B 2 48 ? -54.393 -22.698 -21.566 0.41 10.72 ? 46 GLU B N 1 ATOM 1908 N N B GLU B 2 48 ? -54.390 -22.700 -21.558 0.59 10.55 ? 46 GLU B N 1 ATOM 1909 C CA A GLU B 2 48 ? -54.946 -24.023 -21.299 0.41 12.00 ? 46 GLU B CA 1 ATOM 1910 C CA B GLU B 2 48 ? -54.955 -24.026 -21.310 0.59 10.16 ? 46 GLU B CA 1 ATOM 1911 C C A GLU B 2 48 ? -53.812 -24.947 -20.887 0.41 13.21 ? 46 GLU B C 1 ATOM 1912 C C B GLU B 2 48 ? -53.822 -24.974 -20.949 0.59 13.33 ? 46 GLU B C 1 ATOM 1913 O O A GLU B 2 48 ? -52.641 -24.614 -21.063 0.41 13.89 ? 46 GLU B O 1 ATOM 1914 O O B GLU B 2 48 ? -52.658 -24.687 -21.224 0.59 14.14 ? 46 GLU B O 1 ATOM 1915 C CB A GLU B 2 48 ? -55.664 -24.587 -22.534 0.41 13.07 ? 46 GLU B CB 1 ATOM 1916 C CB B GLU B 2 48 ? -55.693 -24.551 -22.549 0.59 12.88 ? 46 GLU B CB 1 ATOM 1917 C CG A GLU B 2 48 ? -57.016 -23.952 -22.830 0.41 15.97 ? 46 GLU B CG 1 ATOM 1918 C CG B GLU B 2 48 ? -54.766 -24.910 -23.701 0.59 15.51 ? 46 GLU B CG 1 ATOM 1919 C CD A GLU B 2 48 ? -57.690 -24.537 -24.062 0.41 20.32 ? 46 GLU B CD 1 ATOM 1920 C CD B GLU B 2 48 ? -55.466 -25.616 -24.850 0.59 26.79 ? 46 GLU B CD 1 ATOM 1921 O OE1 A GLU B 2 48 ? -57.047 -25.340 -24.772 0.41 22.45 ? 46 GLU B OE1 1 ATOM 1922 O OE1 B GLU B 2 48 ? -56.712 -25.576 -24.916 0.59 22.95 ? 46 GLU B OE1 1 ATOM 1923 O OE2 A GLU B 2 48 ? -58.865 -24.194 -24.316 0.41 20.66 ? 46 GLU B OE2 1 ATOM 1924 O OE2 B GLU B 2 48 ? -54.762 -26.217 -25.689 0.59 32.94 ? 46 GLU B OE2 1 ATOM 1925 N N . TYR B 2 49 ? -54.153 -26.102 -20.329 1.00 12.72 ? 47 TYR B N 1 ATOM 1926 C CA . TYR B 2 49 ? -53.141 -27.104 -20.021 1.00 11.16 ? 47 TYR B CA 1 ATOM 1927 C C . TYR B 2 49 ? -52.729 -27.828 -21.293 1.00 9.98 ? 47 TYR B C 1 ATOM 1928 O O . TYR B 2 49 ? -53.525 -27.994 -22.223 1.00 11.56 ? 47 TYR B O 1 ATOM 1929 C CB . TYR B 2 49 ? -53.648 -28.113 -18.988 1.00 10.94 ? 47 TYR B CB 1 ATOM 1930 C CG . TYR B 2 49 ? -53.649 -27.571 -17.573 1.00 7.66 ? 47 TYR B CG 1 ATOM 1931 C CD1 . TYR B 2 49 ? -54.776 -26.944 -17.050 1.00 13.27 ? 47 TYR B CD1 1 ATOM 1932 C CD2 . TYR B 2 49 ? -52.522 -27.686 -16.765 1.00 9.66 ? 47 TYR B CD2 1 ATOM 1933 C CE1 . TYR B 2 49 ? -54.779 -26.449 -15.757 1.00 12.90 ? 47 TYR B CE1 1 ATOM 1934 C CE2 . TYR B 2 49 ? -52.515 -27.198 -15.468 1.00 11.17 ? 47 TYR B CE2 1 ATOM 1935 C CZ . TYR B 2 49 ? -53.649 -26.574 -14.975 1.00 15.35 ? 47 TYR B CZ 1 ATOM 1936 O OH . TYR B 2 49 ? -53.647 -26.082 -13.690 1.00 15.58 ? 47 TYR B OH 1 ATOM 1937 N N . ARG B 2 50 ? -51.470 -28.241 -21.337 1.00 8.68 ? 48 ARG B N 1 ATOM 1938 C CA . ARG B 2 50 ? -50.979 -29.047 -22.440 1.00 11.20 ? 48 ARG B CA 1 ATOM 1939 C C . ARG B 2 50 ? -50.174 -30.198 -21.872 1.00 11.99 ? 48 ARG B C 1 ATOM 1940 O O . ARG B 2 50 ? -49.362 -30.006 -20.967 1.00 11.58 ? 48 ARG B O 1 ATOM 1941 C CB . ARG B 2 50 ? -50.112 -28.203 -23.375 1.00 14.54 ? 48 ARG B CB 1 ATOM 1942 C CG . ARG B 2 50 ? -50.882 -27.113 -24.123 1.00 17.28 ? 48 ARG B CG 1 ATOM 1943 C CD . ARG B 2 50 ? -51.659 -27.685 -25.301 1.00 23.62 ? 48 ARG B CD 1 ATOM 1944 N NE . ARG B 2 50 ? -52.408 -26.661 -26.030 1.00 25.11 ? 48 ARG B NE 1 ATOM 1945 C CZ . ARG B 2 50 ? -51.879 -25.842 -26.936 1.00 38.07 ? 48 ARG B CZ 1 ATOM 1946 N NH1 . ARG B 2 50 ? -52.645 -24.947 -27.550 1.00 45.17 ? 48 ARG B NH1 1 ATOM 1947 N NH2 . ARG B 2 50 ? -50.586 -25.909 -27.230 1.00 34.08 ? 48 ARG B NH2 1 ATOM 1948 N N . ALA B 2 51 ? -50.422 -31.400 -22.389 1.00 11.88 ? 49 ALA B N 1 ATOM 1949 C CA . ALA B 2 51 ? -49.644 -32.558 -21.989 1.00 12.23 ? 49 ALA B CA 1 ATOM 1950 C C . ALA B 2 51 ? -48.229 -32.389 -22.532 1.00 11.04 ? 49 ALA B C 1 ATOM 1951 O O . ALA B 2 51 ? -48.038 -32.080 -23.708 1.00 15.32 ? 49 ALA B O 1 ATOM 1952 C CB . ALA B 2 51 ? -50.279 -33.836 -22.530 1.00 11.36 ? 49 ALA B CB 1 ATOM 1953 N N . VAL B 2 52 ? -47.242 -32.564 -21.663 1.00 10.72 ? 50 VAL B N 1 ATOM 1954 C CA . VAL B 2 52 ? -45.843 -32.507 -22.067 1.00 12.26 ? 50 VAL B CA 1 ATOM 1955 C C . VAL B 2 52 ? -45.371 -33.901 -22.482 1.00 14.62 ? 50 VAL B C 1 ATOM 1956 O O . VAL B 2 52 ? -44.576 -34.048 -23.411 1.00 18.65 ? 50 VAL B O 1 ATOM 1957 C CB . VAL B 2 52 ? -44.967 -31.949 -20.935 1.00 11.80 ? 50 VAL B CB 1 ATOM 1958 C CG1 . VAL B 2 52 ? -43.500 -31.903 -21.350 1.00 15.67 ? 50 VAL B CG1 1 ATOM 1959 C CG2 . VAL B 2 52 ? -45.449 -30.556 -20.556 1.00 14.62 ? 50 VAL B CG2 1 ATOM 1960 N N . THR B 2 53 ? -45.868 -34.923 -21.791 1.00 12.80 ? 51 THR B N 1 ATOM 1961 C CA . THR B 2 53 ? -45.652 -36.306 -22.200 1.00 15.31 ? 51 THR B CA 1 ATOM 1962 C C . THR B 2 53 ? -46.998 -37.024 -22.215 1.00 14.78 ? 51 THR B C 1 ATOM 1963 O O . THR B 2 53 ? -47.994 -36.487 -21.719 1.00 15.44 ? 51 THR B O 1 ATOM 1964 C CB . THR B 2 53 ? -44.712 -37.062 -21.236 1.00 19.61 ? 51 THR B CB 1 ATOM 1965 O OG1 . THR B 2 53 ? -45.328 -37.159 -19.945 1.00 17.26 ? 51 THR B OG1 1 ATOM 1966 C CG2 . THR B 2 53 ? -43.369 -36.355 -21.115 1.00 18.70 ? 51 THR B CG2 1 ATOM 1967 N N . GLU B 2 54 ? -47.021 -38.235 -22.770 1.00 21.85 ? 52 GLU B N 1 ATOM 1968 C CA . GLU B 2 54 ? -48.242 -39.039 -22.836 1.00 25.54 ? 52 GLU B CA 1 ATOM 1969 C C . GLU B 2 54 ? -48.842 -39.257 -21.446 1.00 20.27 ? 52 GLU B C 1 ATOM 1970 O O . GLU B 2 54 ? -50.058 -39.349 -21.287 1.00 18.83 ? 52 GLU B O 1 ATOM 1971 C CB . GLU B 2 54 ? -47.952 -40.388 -23.509 1.00 33.25 ? 52 GLU B CB 1 ATOM 1972 C CG . GLU B 2 54 ? -49.106 -41.384 -23.474 1.00 49.53 ? 52 GLU B CG 1 ATOM 1973 C CD . GLU B 2 54 ? -50.134 -41.137 -24.564 1.00 61.89 ? 52 GLU B CD 1 ATOM 1974 O OE1 . GLU B 2 54 ? -51.286 -41.604 -24.420 1.00 64.37 ? 52 GLU B OE1 1 ATOM 1975 O OE2 . GLU B 2 54 ? -49.788 -40.483 -25.570 1.00 66.46 ? 52 GLU B OE2 1 ATOM 1976 N N . LEU B 2 55 ? -47.970 -39.324 -20.444 1.00 20.91 ? 53 LEU B N 1 ATOM 1977 C CA . LEU B 2 55 ? -48.376 -39.481 -19.050 1.00 22.39 ? 53 LEU B CA 1 ATOM 1978 C C . LEU B 2 55 ? -49.348 -38.401 -18.584 1.00 22.24 ? 53 LEU B C 1 ATOM 1979 O O . LEU B 2 55 ? -50.163 -38.636 -17.693 1.00 19.10 ? 53 LEU B O 1 ATOM 1980 C CB . LEU B 2 55 ? -47.137 -39.464 -18.154 1.00 29.34 ? 53 LEU B CB 1 ATOM 1981 C CG . LEU B 2 55 ? -47.045 -40.475 -17.012 1.00 31.62 ? 53 LEU B CG 1 ATOM 1982 C CD1 . LEU B 2 55 ? -47.179 -41.890 -17.526 1.00 27.92 ? 53 LEU B CD1 1 ATOM 1983 C CD2 . LEU B 2 55 ? -45.729 -40.298 -16.266 1.00 32.48 ? 53 LEU B CD2 1 ATOM 1984 N N . GLY B 2 56 ? -49.259 -37.215 -19.180 1.00 15.49 ? 54 GLY B N 1 ATOM 1985 C CA . GLY B 2 56 ? -50.067 -36.090 -18.747 1.00 13.84 ? 54 GLY B CA 1 ATOM 1986 C C . GLY B 2 56 ? -51.347 -35.867 -19.532 1.00 13.42 ? 54 GLY B C 1 ATOM 1987 O O . GLY B 2 56 ? -52.134 -34.975 -19.199 1.00 14.11 ? 54 GLY B O 1 ATOM 1988 N N . ARG B 2 57 ? -51.564 -36.667 -20.572 1.00 14.66 ? 55 ARG B N 1 ATOM 1989 C CA . ARG B 2 57 ? -52.746 -36.491 -21.423 1.00 17.72 ? 55 ARG B CA 1 ATOM 1990 C C . ARG B 2 57 ? -54.098 -36.528 -20.691 1.00 13.88 ? 55 ARG B C 1 ATOM 1991 O O . ARG B 2 57 ? -54.952 -35.681 -20.961 1.00 14.31 ? 55 ARG B O 1 ATOM 1992 C CB . ARG B 2 57 ? -52.748 -37.467 -22.607 1.00 21.27 ? 55 ARG B CB 1 ATOM 1993 C CG . ARG B 2 57 ? -51.525 -37.356 -23.507 1.00 29.52 ? 55 ARG B CG 1 ATOM 1994 C CD . ARG B 2 57 ? -51.850 -37.787 -24.933 1.00 38.60 ? 55 ARG B CD 1 ATOM 1995 N NE . ARG B 2 57 ? -50.680 -38.311 -25.638 1.00 47.68 ? 55 ARG B NE 1 ATOM 1996 C CZ . ARG B 2 57 ? -49.714 -37.564 -26.166 1.00 51.10 ? 55 ARG B CZ 1 ATOM 1997 N NH1 . ARG B 2 57 ? -49.755 -36.240 -26.068 1.00 50.40 ? 55 ARG B NH1 1 ATOM 1998 N NH2 . ARG B 2 57 ? -48.697 -38.148 -26.788 1.00 52.19 ? 55 ARG B NH2 1 ATOM 1999 N N . PRO B 2 58 ? -54.303 -37.498 -19.771 1.00 15.42 ? 56 PRO B N 1 ATOM 2000 C CA . PRO B 2 58 ? -55.600 -37.501 -19.080 1.00 18.01 ? 56 PRO B CA 1 ATOM 2001 C C . PRO B 2 58 ? -55.854 -36.229 -18.276 1.00 17.32 ? 56 PRO B C 1 ATOM 2002 O O . PRO B 2 58 ? -56.989 -35.764 -18.223 1.00 15.42 ? 56 PRO B O 1 ATOM 2003 C CB . PRO B 2 58 ? -55.496 -38.707 -18.143 1.00 19.46 ? 56 PRO B CB 1 ATOM 2004 C CG . PRO B 2 58 ? -54.546 -39.627 -18.835 1.00 19.62 ? 56 PRO B CG 1 ATOM 2005 C CD . PRO B 2 58 ? -53.523 -38.712 -19.455 1.00 18.63 ? 56 PRO B CD 1 ATOM 2006 N N . ASP B 2 59 ? -54.813 -35.667 -17.670 1.00 12.71 ? 57 ASP B N 1 ATOM 2007 C CA . ASP B 2 59 ? -54.986 -34.463 -16.872 1.00 15.71 ? 57 ASP B CA 1 ATOM 2008 C C . ASP B 2 59 ? -55.276 -33.249 -17.738 1.00 15.84 ? 57 ASP B C 1 ATOM 2009 O O . ASP B 2 59 ? -56.165 -32.467 -17.419 1.00 11.75 ? 57 ASP B O 1 ATOM 2010 C CB . ASP B 2 59 ? -53.768 -34.221 -15.979 1.00 15.04 ? 57 ASP B CB 1 ATOM 2011 C CG . ASP B 2 59 ? -53.617 -35.296 -14.929 1.00 19.08 ? 57 ASP B CG 1 ATOM 2012 O OD1 . ASP B 2 59 ? -54.656 -35.849 -14.500 1.00 19.89 ? 57 ASP B OD1 1 ATOM 2013 O OD2 . ASP B 2 59 ? -52.472 -35.605 -14.545 1.00 18.99 ? 57 ASP B OD2 1 ATOM 2014 N N . ALA B 2 60 ? -54.537 -33.096 -18.833 1.00 13.03 ? 58 ALA B N 1 ATOM 2015 C CA . ALA B 2 60 ? -54.759 -31.962 -19.725 1.00 12.73 ? 58 ALA B CA 1 ATOM 2016 C C . ALA B 2 60 ? -56.194 -31.982 -20.229 1.00 13.83 ? 58 ALA B C 1 ATOM 2017 O O . ALA B 2 60 ? -56.876 -30.954 -20.226 1.00 14.13 ? 58 ALA B O 1 ATOM 2018 C CB . ALA B 2 60 ? -53.766 -31.977 -20.891 1.00 12.47 ? 58 ALA B CB 1 ATOM 2019 N N . GLU B 2 61 ? -56.664 -33.162 -20.617 1.00 14.50 ? 59 GLU B N 1 ATOM 2020 C CA . GLU B 2 61 ? -58.014 -33.291 -21.156 1.00 16.14 ? 59 GLU B CA 1 ATOM 2021 C C . GLU B 2 61 ? -59.088 -32.979 -20.116 1.00 12.87 ? 59 GLU B C 1 ATOM 2022 O O . GLU B 2 61 ? -60.042 -32.256 -20.398 1.00 16.19 ? 59 GLU B O 1 ATOM 2023 C CB . GLU B 2 61 ? -58.221 -34.679 -21.769 1.00 16.94 ? 59 GLU B CB 1 ATOM 2024 C CG . GLU B 2 61 ? -57.432 -34.871 -23.054 1.00 29.49 ? 59 GLU B CG 1 ATOM 2025 C CD . GLU B 2 61 ? -57.652 -36.230 -23.686 1.00 41.41 ? 59 GLU B CD 1 ATOM 2026 O OE1 . GLU B 2 61 ? -58.548 -36.969 -23.224 1.00 46.80 ? 59 GLU B OE1 1 ATOM 2027 O OE2 . GLU B 2 61 ? -56.924 -36.558 -24.646 1.00 42.69 ? 59 GLU B OE2 1 ATOM 2028 N N . TYR B 2 62 ? -58.931 -33.505 -18.908 1.00 12.83 ? 60 TYR B N 1 ATOM 2029 C CA . TYR B 2 62 ? -59.949 -33.274 -17.890 1.00 16.04 ? 60 TYR B CA 1 ATOM 2030 C C . TYR B 2 62 ? -59.923 -31.847 -17.357 1.00 15.48 ? 60 TYR B C 1 ATOM 2031 O O . TYR B 2 62 ? -60.970 -31.215 -17.213 1.00 18.52 ? 60 TYR B O 1 ATOM 2032 C CB . TYR B 2 62 ? -59.819 -34.259 -16.738 1.00 19.99 ? 60 TYR B CB 1 ATOM 2033 C CG . TYR B 2 62 ? -60.874 -34.056 -15.672 1.00 29.39 ? 60 TYR B CG 1 ATOM 2034 C CD1 . TYR B 2 62 ? -62.221 -34.042 -16.004 1.00 32.63 ? 60 TYR B CD1 1 ATOM 2035 C CD2 . TYR B 2 62 ? -60.525 -33.879 -14.340 1.00 38.83 ? 60 TYR B CD2 1 ATOM 2036 C CE1 . TYR B 2 62 ? -63.194 -33.854 -15.045 1.00 40.73 ? 60 TYR B CE1 1 ATOM 2037 C CE2 . TYR B 2 62 ? -61.495 -33.699 -13.367 1.00 47.27 ? 60 TYR B CE2 1 ATOM 2038 C CZ . TYR B 2 62 ? -62.830 -33.682 -13.729 1.00 49.94 ? 60 TYR B CZ 1 ATOM 2039 O OH . TYR B 2 62 ? -63.808 -33.497 -12.778 1.00 57.65 ? 60 TYR B OH 1 ATOM 2040 N N . TRP B 2 63 ? -58.731 -31.342 -17.059 1.00 10.87 ? 61 TRP B N 1 ATOM 2041 C CA . TRP B 2 63 ? -58.627 -30.002 -16.502 1.00 12.19 ? 61 TRP B CA 1 ATOM 2042 C C . TRP B 2 63 ? -59.144 -28.950 -17.486 1.00 12.84 ? 61 TRP B C 1 ATOM 2043 O O . TRP B 2 63 ? -59.818 -27.998 -17.084 1.00 13.51 ? 61 TRP B O 1 ATOM 2044 C CB . TRP B 2 63 ? -57.191 -29.696 -16.070 1.00 12.06 ? 61 TRP B CB 1 ATOM 2045 C CG . TRP B 2 63 ? -56.697 -30.569 -14.941 1.00 12.74 ? 61 TRP B CG 1 ATOM 2046 C CD1 . TRP B 2 63 ? -57.453 -31.345 -14.104 1.00 12.26 ? 61 TRP B CD1 1 ATOM 2047 C CD2 . TRP B 2 63 ? -55.337 -30.756 -14.541 1.00 10.88 ? 61 TRP B CD2 1 ATOM 2048 N NE1 . TRP B 2 63 ? -56.645 -32.001 -13.203 1.00 12.26 ? 61 TRP B NE1 1 ATOM 2049 C CE2 . TRP B 2 63 ? -55.341 -31.655 -13.451 1.00 12.23 ? 61 TRP B CE2 1 ATOM 2050 C CE3 . TRP B 2 63 ? -54.114 -30.251 -14.997 1.00 12.32 ? 61 TRP B CE3 1 ATOM 2051 C CZ2 . TRP B 2 63 ? -54.171 -32.057 -12.811 1.00 13.55 ? 61 TRP B CZ2 1 ATOM 2052 C CZ3 . TRP B 2 63 ? -52.952 -30.652 -14.359 1.00 11.07 ? 61 TRP B CZ3 1 ATOM 2053 C CH2 . TRP B 2 63 ? -52.990 -31.546 -13.279 1.00 14.00 ? 61 TRP B CH2 1 ATOM 2054 N N . ASN B 2 64 ? -58.850 -29.131 -18.773 1.00 10.68 ? 62 ASN B N 1 ATOM 2055 C CA . ASN B 2 64 ? -59.317 -28.191 -19.798 1.00 10.26 ? 62 ASN B CA 1 ATOM 2056 C C . ASN B 2 64 ? -60.836 -28.215 -19.982 1.00 11.74 ? 62 ASN B C 1 ATOM 2057 O O . ASN B 2 64 ? -61.406 -27.281 -20.545 1.00 14.67 ? 62 ASN B O 1 ATOM 2058 C CB . ASN B 2 64 ? -58.627 -28.438 -21.144 1.00 11.48 ? 62 ASN B CB 1 ATOM 2059 C CG . ASN B 2 64 ? -57.176 -27.973 -21.151 1.00 11.54 ? 62 ASN B CG 1 ATOM 2060 O OD1 . ASN B 2 64 ? -56.762 -27.198 -20.289 1.00 12.00 ? 62 ASN B OD1 1 ATOM 2061 N ND2 . ASN B 2 64 ? -56.401 -28.440 -22.131 1.00 11.92 ? 62 ASN B ND2 1 ATOM 2062 N N . SER B 2 65 ? -61.482 -29.278 -19.508 1.00 12.82 ? 63 SER B N 1 ATOM 2063 C CA . SER B 2 65 ? -62.936 -29.387 -19.613 1.00 14.35 ? 63 SER B CA 1 ATOM 2064 C C . SER B 2 65 ? -63.638 -28.635 -18.484 1.00 16.15 ? 63 SER B C 1 ATOM 2065 O O . SER B 2 65 ? -64.860 -28.494 -18.488 1.00 18.40 ? 63 SER B O 1 ATOM 2066 C CB . SER B 2 65 ? -63.379 -30.860 -19.608 1.00 17.02 ? 63 SER B CB 1 ATOM 2067 O OG . SER B 2 65 ? -63.297 -31.419 -18.301 1.00 19.57 ? 63 SER B OG 1 ATOM 2068 N N . GLN B 2 66 ? -62.864 -28.152 -17.519 1.00 14.58 ? 64 GLN B N 1 ATOM 2069 C CA A GLN B 2 66 ? -63.424 -27.459 -16.364 0.60 14.33 ? 64 GLN B CA 1 ATOM 2070 C CA B GLN B 2 66 ? -63.439 -27.454 -16.376 0.40 14.51 ? 64 GLN B CA 1 ATOM 2071 C C . GLN B 2 66 ? -63.148 -25.962 -16.440 1.00 13.86 ? 64 GLN B C 1 ATOM 2072 O O . GLN B 2 66 ? -62.041 -25.522 -16.150 1.00 14.84 ? 64 GLN B O 1 ATOM 2073 C CB A GLN B 2 66 ? -62.844 -28.036 -15.071 0.60 14.25 ? 64 GLN B CB 1 ATOM 2074 C CB B GLN B 2 66 ? -62.917 -28.051 -15.073 0.40 15.28 ? 64 GLN B CB 1 ATOM 2075 C CG A GLN B 2 66 ? -63.124 -29.525 -14.887 0.60 17.73 ? 64 GLN B CG 1 ATOM 2076 C CG B GLN B 2 66 ? -63.345 -29.495 -14.861 0.40 18.34 ? 64 GLN B CG 1 ATOM 2077 C CD A GLN B 2 66 ? -64.608 -29.836 -14.831 0.60 19.80 ? 64 GLN B CD 1 ATOM 2078 C CD B GLN B 2 66 ? -62.584 -30.157 -13.740 0.40 19.81 ? 64 GLN B CD 1 ATOM 2079 O OE1 A GLN B 2 66 ? -65.310 -29.414 -13.909 0.60 20.13 ? 64 GLN B OE1 1 ATOM 2080 O OE1 B GLN B 2 66 ? -61.576 -30.820 -13.972 0.40 26.15 ? 64 GLN B OE1 1 ATOM 2081 N NE2 A GLN B 2 66 ? -65.095 -30.573 -15.820 0.60 19.97 ? 64 GLN B NE2 1 ATOM 2082 N NE2 B GLN B 2 66 ? -63.045 -29.962 -12.513 0.40 14.13 ? 64 GLN B NE2 1 ATOM 2083 N N . LYS B 2 67 ? -64.159 -25.185 -16.825 1.00 15.90 ? 65 LYS B N 1 ATOM 2084 C CA . LYS B 2 67 ? -63.954 -23.751 -17.020 1.00 17.95 ? 65 LYS B CA 1 ATOM 2085 C C . LYS B 2 67 ? -63.502 -23.040 -15.756 1.00 16.64 ? 65 LYS B C 1 ATOM 2086 O O . LYS B 2 67 ? -62.729 -22.083 -15.824 1.00 15.38 ? 65 LYS B O 1 ATOM 2087 C CB . LYS B 2 67 ? -65.196 -23.079 -17.611 1.00 21.19 ? 65 LYS B CB 1 ATOM 2088 C CG . LYS B 2 67 ? -66.470 -23.325 -16.850 1.00 26.23 ? 65 LYS B CG 1 ATOM 2089 C CD . LYS B 2 67 ? -67.647 -22.667 -17.564 1.00 30.77 ? 65 LYS B CD 1 ATOM 2090 C CE . LYS B 2 67 ? -68.976 -22.985 -16.893 1.00 32.23 ? 65 LYS B CE 1 ATOM 2091 N NZ . LYS B 2 67 ? -70.079 -22.196 -17.509 1.00 37.67 ? 65 LYS B NZ 1 ATOM 2092 N N . ASP B 2 68 ? -63.956 -23.522 -14.602 1.00 14.64 ? 66 ASP B N 1 ATOM 2093 C CA . ASP B 2 68 ? -63.518 -22.961 -13.323 1.00 15.83 ? 66 ASP B CA 1 ATOM 2094 C C . ASP B 2 68 ? -62.014 -23.111 -13.098 1.00 17.73 ? 66 ASP B C 1 ATOM 2095 O O . ASP B 2 68 ? -61.359 -22.186 -12.615 1.00 14.98 ? 66 ASP B O 1 ATOM 2096 C CB . ASP B 2 68 ? -64.284 -23.591 -12.164 1.00 18.61 ? 66 ASP B CB 1 ATOM 2097 C CG . ASP B 2 68 ? -64.302 -25.105 -12.236 1.00 22.50 ? 66 ASP B CG 1 ATOM 2098 O OD1 . ASP B 2 68 ? -64.968 -25.645 -13.146 1.00 24.31 ? 66 ASP B OD1 1 ATOM 2099 O OD2 . ASP B 2 68 ? -63.655 -25.752 -11.384 1.00 22.88 ? 66 ASP B OD2 1 ATOM 2100 N N . ILE B 2 69 ? -61.472 -24.281 -13.427 1.00 14.29 ? 67 ILE B N 1 ATOM 2101 C CA . ILE B 2 69 ? -60.029 -24.494 -13.331 1.00 10.86 ? 67 ILE B CA 1 ATOM 2102 C C . ILE B 2 69 ? -59.297 -23.550 -14.279 1.00 10.53 ? 67 ILE B C 1 ATOM 2103 O O . ILE B 2 69 ? -58.363 -22.857 -13.876 1.00 11.58 ? 67 ILE B O 1 ATOM 2104 C CB . ILE B 2 69 ? -59.639 -25.950 -13.651 1.00 12.95 ? 67 ILE B CB 1 ATOM 2105 C CG1 . ILE B 2 69 ? -60.199 -26.888 -12.581 1.00 16.22 ? 67 ILE B CG1 1 ATOM 2106 C CG2 . ILE B 2 69 ? -58.116 -26.098 -13.754 1.00 11.04 ? 67 ILE B CG2 1 ATOM 2107 C CD1 . ILE B 2 69 ? -59.864 -28.350 -12.815 1.00 16.02 ? 67 ILE B CD1 1 ATOM 2108 N N . LEU B 2 70 ? -59.743 -23.499 -15.529 1.00 11.10 ? 68 LEU B N 1 ATOM 2109 C CA . LEU B 2 70 ? -59.087 -22.646 -16.519 1.00 10.04 ? 68 LEU B CA 1 ATOM 2110 C C . LEU B 2 70 ? -59.081 -21.172 -16.112 1.00 14.36 ? 68 LEU B C 1 ATOM 2111 O O . LEU B 2 70 ? -58.042 -20.521 -16.174 1.00 12.76 ? 68 LEU B O 1 ATOM 2112 C CB . LEU B 2 70 ? -59.703 -22.824 -17.906 1.00 14.63 ? 68 LEU B CB 1 ATOM 2113 C CG . LEU B 2 70 ? -59.427 -24.170 -18.590 1.00 15.47 ? 68 LEU B CG 1 ATOM 2114 C CD1 . LEU B 2 70 ? -60.112 -24.222 -19.952 1.00 19.67 ? 68 LEU B CD1 1 ATOM 2115 C CD2 . LEU B 2 70 ? -57.930 -24.400 -18.728 1.00 16.57 ? 68 LEU B CD2 1 ATOM 2116 N N . GLU B 2 71 ? -60.220 -20.642 -15.678 1.00 11.99 ? 69 GLU B N 1 ATOM 2117 C CA . GLU B 2 71 ? -60.244 -19.231 -15.294 1.00 13.26 ? 69 GLU B CA 1 ATOM 2118 C C . GLU B 2 71 ? -59.414 -18.952 -14.034 1.00 14.86 ? 69 GLU B C 1 ATOM 2119 O O . GLU B 2 71 ? -58.822 -17.884 -13.901 1.00 13.68 ? 69 GLU B O 1 ATOM 2120 C CB . GLU B 2 71 ? -61.677 -18.705 -15.162 1.00 13.35 ? 69 GLU B CB 1 ATOM 2121 C CG . GLU B 2 71 ? -62.444 -18.716 -16.488 1.00 16.15 ? 69 GLU B CG 1 ATOM 2122 C CD . GLU B 2 71 ? -61.738 -17.950 -17.610 1.00 20.18 ? 69 GLU B CD 1 ATOM 2123 O OE1 . GLU B 2 71 ? -60.998 -16.979 -17.330 1.00 18.27 ? 69 GLU B OE1 1 ATOM 2124 O OE2 . GLU B 2 71 ? -61.932 -18.322 -18.787 1.00 18.85 ? 69 GLU B OE2 1 ATOM 2125 N N . ASP B 2 72 ? -59.364 -19.916 -13.121 1.00 12.97 ? 70 ASP B N 1 ATOM 2126 C CA . ASP B 2 72 ? -58.520 -19.794 -11.934 1.00 10.14 ? 70 ASP B CA 1 ATOM 2127 C C . ASP B 2 72 ? -57.047 -19.681 -12.346 1.00 12.99 ? 70 ASP B C 1 ATOM 2128 O O . ASP B 2 72 ? -56.298 -18.828 -11.846 1.00 13.92 ? 70 ASP B O 1 ATOM 2129 C CB . ASP B 2 72 ? -58.755 -20.992 -11.013 1.00 13.38 ? 70 ASP B CB 1 ATOM 2130 C CG . ASP B 2 72 ? -57.897 -20.960 -9.771 1.00 18.17 ? 70 ASP B CG 1 ATOM 2131 O OD1 . ASP B 2 72 ? -58.100 -20.065 -8.921 1.00 16.64 ? 70 ASP B OD1 1 ATOM 2132 O OD2 . ASP B 2 72 ? -57.039 -21.859 -9.627 1.00 20.13 ? 70 ASP B OD2 1 ATOM 2133 N N . GLU B 2 73 ? -56.638 -20.523 -13.287 1.00 10.24 ? 71 GLU B N 1 ATOM 2134 C CA . GLU B 2 73 ? -55.261 -20.490 -13.777 1.00 9.81 ? 71 GLU B CA 1 ATOM 2135 C C . GLU B 2 73 ? -54.986 -19.243 -14.626 1.00 11.24 ? 71 GLU B C 1 ATOM 2136 O O . GLU B 2 73 ? -53.930 -18.621 -14.501 1.00 10.61 ? 71 GLU B O 1 ATOM 2137 C CB . GLU B 2 73 ? -54.939 -21.761 -14.572 1.00 11.49 ? 71 GLU B CB 1 ATOM 2138 C CG . GLU B 2 73 ? -55.144 -23.068 -13.801 1.00 10.59 ? 71 GLU B CG 1 ATOM 2139 C CD . GLU B 2 73 ? -54.191 -23.250 -12.620 1.00 17.05 ? 71 GLU B CD 1 ATOM 2140 O OE1 . GLU B 2 73 ? -54.586 -23.914 -11.631 1.00 17.45 ? 71 GLU B OE1 1 ATOM 2141 O OE2 . GLU B 2 73 ? -53.049 -22.749 -12.682 1.00 18.54 ? 71 GLU B OE2 1 ATOM 2142 N N . ARG B 2 74 ? -55.938 -18.868 -15.478 1.00 11.43 ? 72 ARG B N 1 ATOM 2143 C CA . ARG B 2 74 ? -55.768 -17.700 -16.347 1.00 10.51 ? 72 ARG B CA 1 ATOM 2144 C C . ARG B 2 74 ? -55.625 -16.393 -15.570 1.00 13.55 ? 72 ARG B C 1 ATOM 2145 O O . ARG B 2 74 ? -55.031 -15.437 -16.062 1.00 12.11 ? 72 ARG B O 1 ATOM 2146 C CB . ARG B 2 74 ? -56.928 -17.583 -17.345 1.00 12.98 ? 72 ARG B CB 1 ATOM 2147 C CG . ARG B 2 74 ? -56.908 -18.671 -18.400 1.00 12.77 ? 72 ARG B CG 1 ATOM 2148 C CD . ARG B 2 74 ? -58.244 -18.773 -19.114 1.00 14.35 ? 72 ARG B CD 1 ATOM 2149 N NE . ARG B 2 74 ? -58.202 -19.827 -20.119 1.00 14.09 ? 72 ARG B NE 1 ATOM 2150 C CZ . ARG B 2 74 ? -59.228 -20.167 -20.893 1.00 15.63 ? 72 ARG B CZ 1 ATOM 2151 N NH1 . ARG B 2 74 ? -60.400 -19.548 -20.774 1.00 14.60 ? 72 ARG B NH1 1 ATOM 2152 N NH2 . ARG B 2 74 ? -59.080 -21.131 -21.788 1.00 17.09 ? 72 ARG B NH2 1 ATOM 2153 N N . ALA B 2 75 ? -56.162 -16.350 -14.354 1.00 10.77 ? 73 ALA B N 1 ATOM 2154 C CA . ALA B 2 75 ? -56.083 -15.130 -13.557 1.00 12.04 ? 73 ALA B CA 1 ATOM 2155 C C . ALA B 2 75 ? -54.846 -15.074 -12.660 1.00 11.89 ? 73 ALA B C 1 ATOM 2156 O O . ALA B 2 75 ? -54.576 -14.052 -12.028 1.00 13.05 ? 73 ALA B O 1 ATOM 2157 C CB . ALA B 2 75 ? -57.348 -14.968 -12.726 1.00 13.77 ? 73 ALA B CB 1 ATOM 2158 N N . ALA B 2 76 ? -54.095 -16.170 -12.625 1.00 10.54 ? 74 ALA B N 1 ATOM 2159 C CA . ALA B 2 76 ? -52.993 -16.322 -11.679 1.00 12.53 ? 74 ALA B CA 1 ATOM 2160 C C . ALA B 2 76 ? -51.889 -15.285 -11.869 1.00 11.63 ? 74 ALA B C 1 ATOM 2161 O O . ALA B 2 76 ? -51.270 -14.867 -10.888 1.00 12.11 ? 74 ALA B O 1 ATOM 2162 C CB . ALA B 2 76 ? -52.420 -17.747 -11.725 1.00 10.69 ? 74 ALA B CB 1 ATOM 2163 N N . VAL B 2 77 ? -51.653 -14.847 -13.108 1.00 11.11 ? 75 VAL B N 1 ATOM 2164 C CA . VAL B 2 77 ? -50.646 -13.806 -13.333 1.00 11.91 ? 75 VAL B CA 1 ATOM 2165 C C . VAL B 2 77 ? -50.931 -12.588 -12.470 1.00 13.66 ? 75 VAL B C 1 ATOM 2166 O O . VAL B 2 77 ? -50.011 -11.908 -12.022 1.00 14.41 ? 75 VAL B O 1 ATOM 2167 C CB . VAL B 2 77 ? -50.530 -13.363 -14.812 1.00 17.25 ? 75 VAL B CB 1 ATOM 2168 C CG1 . VAL B 2 77 ? -49.785 -14.408 -15.617 1.00 17.82 ? 75 VAL B CG1 1 ATOM 2169 C CG2 . VAL B 2 77 ? -51.910 -13.055 -15.413 1.00 18.28 ? 75 VAL B CG2 1 ATOM 2170 N N . ASP B 2 78 ? -52.215 -12.325 -12.230 1.00 12.07 ? 76 ASP B N 1 ATOM 2171 C CA . ASP B 2 78 ? -52.626 -11.187 -11.418 1.00 14.88 ? 76 ASP B CA 1 ATOM 2172 C C . ASP B 2 78 ? -52.782 -11.536 -9.937 1.00 16.21 ? 76 ASP B C 1 ATOM 2173 O O . ASP B 2 78 ? -52.195 -10.887 -9.071 1.00 17.75 ? 76 ASP B O 1 ATOM 2174 C CB . ASP B 2 78 ? -53.949 -10.631 -11.947 1.00 16.19 ? 76 ASP B CB 1 ATOM 2175 C CG . ASP B 2 78 ? -53.791 -9.899 -13.268 1.00 21.51 ? 76 ASP B CG 1 ATOM 2176 O OD1 . ASP B 2 78 ? -52.680 -9.405 -13.546 1.00 21.35 ? 76 ASP B OD1 1 ATOM 2177 O OD2 . ASP B 2 78 ? -54.784 -9.804 -14.020 1.00 23.83 ? 76 ASP B OD2 1 ATOM 2178 N N . THR B 2 79 ? -53.592 -12.551 -9.653 1.00 13.88 ? 77 THR B N 1 ATOM 2179 C CA . THR B 2 79 ? -53.986 -12.850 -8.281 1.00 13.18 ? 77 THR B CA 1 ATOM 2180 C C . THR B 2 79 ? -52.901 -13.564 -7.484 1.00 12.86 ? 77 THR B C 1 ATOM 2181 O O . THR B 2 79 ? -52.950 -13.588 -6.256 1.00 15.39 ? 77 THR B O 1 ATOM 2182 C CB . THR B 2 79 ? -55.257 -13.720 -8.245 1.00 12.44 ? 77 THR B CB 1 ATOM 2183 O OG1 . THR B 2 79 ? -54.976 -14.984 -8.856 1.00 15.90 ? 77 THR B OG1 1 ATOM 2184 C CG2 . THR B 2 79 ? -56.414 -13.028 -8.991 1.00 13.65 ? 77 THR B CG2 1 ATOM 2185 N N . TYR B 2 80 ? -51.930 -14.144 -8.186 1.00 10.73 ? 78 TYR B N 1 ATOM 2186 C CA . TYR B 2 80 ? -50.865 -14.915 -7.559 1.00 11.31 ? 78 TYR B CA 1 ATOM 2187 C C . TYR B 2 80 ? -49.512 -14.252 -7.794 1.00 13.89 ? 78 TYR B C 1 ATOM 2188 O O . TYR B 2 80 ? -48.862 -13.797 -6.848 1.00 14.42 ? 78 TYR B O 1 ATOM 2189 C CB . TYR B 2 80 ? -50.880 -16.343 -8.122 1.00 11.60 ? 78 TYR B CB 1 ATOM 2190 C CG . TYR B 2 80 ? -49.774 -17.267 -7.656 1.00 10.29 ? 78 TYR B CG 1 ATOM 2191 C CD1 . TYR B 2 80 ? -49.639 -17.610 -6.315 1.00 10.93 ? 78 TYR B CD1 1 ATOM 2192 C CD2 . TYR B 2 80 ? -48.909 -17.851 -8.573 1.00 11.14 ? 78 TYR B CD2 1 ATOM 2193 C CE1 . TYR B 2 80 ? -48.637 -18.486 -5.894 1.00 9.92 ? 78 TYR B CE1 1 ATOM 2194 C CE2 . TYR B 2 80 ? -47.910 -18.727 -8.167 1.00 10.58 ? 78 TYR B CE2 1 ATOM 2195 C CZ . TYR B 2 80 ? -47.784 -19.038 -6.829 1.00 12.37 ? 78 TYR B CZ 1 ATOM 2196 O OH . TYR B 2 80 ? -46.802 -19.909 -6.432 1.00 11.94 ? 78 TYR B OH 1 ATOM 2197 N N . CYS B 2 81 ? -49.101 -14.178 -9.059 1.00 11.75 ? 79 CYS B N 1 ATOM 2198 C CA . CYS B 2 81 ? -47.794 -13.616 -9.407 1.00 13.06 ? 79 CYS B CA 1 ATOM 2199 C C . CYS B 2 81 ? -47.651 -12.143 -9.025 1.00 12.42 ? 79 CYS B C 1 ATOM 2200 O O . CYS B 2 81 ? -46.782 -11.787 -8.229 1.00 13.39 ? 79 CYS B O 1 ATOM 2201 C CB . CYS B 2 81 ? -47.490 -13.822 -10.896 1.00 9.89 ? 79 CYS B CB 1 ATOM 2202 S SG . CYS B 2 81 ? -47.502 -15.564 -11.420 1.00 13.78 ? 79 CYS B SG 1 ATOM 2203 N N . ARG B 2 82 ? -48.492 -11.281 -9.581 1.00 12.90 ? 80 ARG B N 1 ATOM 2204 C CA . ARG B 2 82 ? -48.360 -9.860 -9.271 1.00 15.07 ? 80 ARG B CA 1 ATOM 2205 C C . ARG B 2 82 ? -48.569 -9.586 -7.783 1.00 16.78 ? 80 ARG B C 1 ATOM 2206 O O . ARG B 2 82 ? -47.875 -8.745 -7.192 1.00 15.97 ? 80 ARG B O 1 ATOM 2207 C CB . ARG B 2 82 ? -49.290 -9.014 -10.141 1.00 18.11 ? 80 ARG B CB 1 ATOM 2208 C CG . ARG B 2 82 ? -48.783 -8.872 -11.570 1.00 19.09 ? 80 ARG B CG 1 ATOM 2209 C CD . ARG B 2 82 ? -49.678 -7.980 -12.416 1.00 20.57 ? 80 ARG B CD 1 ATOM 2210 N NE . ARG B 2 82 ? -49.049 -7.675 -13.697 1.00 20.60 ? 80 ARG B NE 1 ATOM 2211 C CZ . ARG B 2 82 ? -49.235 -8.375 -14.812 1.00 21.17 ? 80 ARG B CZ 1 ATOM 2212 N NH1 . ARG B 2 82 ? -48.611 -8.021 -15.926 1.00 21.85 ? 80 ARG B NH1 1 ATOM 2213 N NH2 . ARG B 2 82 ? -50.052 -9.422 -14.817 1.00 19.28 ? 80 ARG B NH2 1 ATOM 2214 N N . HIS B 2 83 ? -49.496 -10.318 -7.170 1.00 15.04 ? 81 HIS B N 1 ATOM 2215 C CA . HIS B 2 83 ? -49.748 -10.151 -5.744 1.00 15.30 ? 81 HIS B CA 1 ATOM 2216 C C . HIS B 2 83 ? -48.507 -10.473 -4.922 1.00 15.96 ? 81 HIS B C 1 ATOM 2217 O O . HIS B 2 83 ? -48.067 -9.665 -4.108 1.00 16.03 ? 81 HIS B O 1 ATOM 2218 C CB . HIS B 2 83 ? -50.909 -11.024 -5.258 1.00 14.52 ? 81 HIS B CB 1 ATOM 2219 C CG . HIS B 2 83 ? -51.117 -10.949 -3.776 1.00 19.32 ? 81 HIS B CG 1 ATOM 2220 N ND1 . HIS B 2 83 ? -51.956 -10.025 -3.188 1.00 19.61 ? 81 HIS B ND1 1 ATOM 2221 C CD2 . HIS B 2 83 ? -50.557 -11.647 -2.759 1.00 17.57 ? 81 HIS B CD2 1 ATOM 2222 C CE1 . HIS B 2 83 ? -51.920 -10.174 -1.876 1.00 22.09 ? 81 HIS B CE1 1 ATOM 2223 N NE2 . HIS B 2 83 ? -51.077 -11.153 -1.589 1.00 19.34 ? 81 HIS B NE2 1 ATOM 2224 N N . ASN B 2 84 ? -47.953 -11.662 -5.132 1.00 14.77 ? 82 ASN B N 1 ATOM 2225 C CA . ASN B 2 84 ? -46.781 -12.086 -4.375 1.00 14.41 ? 82 ASN B CA 1 ATOM 2226 C C . ASN B 2 84 ? -45.549 -11.222 -4.612 1.00 15.76 ? 82 ASN B C 1 ATOM 2227 O O . ASN B 2 84 ? -44.770 -10.974 -3.688 1.00 16.17 ? 82 ASN B O 1 ATOM 2228 C CB . ASN B 2 84 ? -46.480 -13.568 -4.628 1.00 11.54 ? 82 ASN B CB 1 ATOM 2229 C CG . ASN B 2 84 ? -47.456 -14.472 -3.917 1.00 14.92 ? 82 ASN B CG 1 ATOM 2230 O OD1 . ASN B 2 84 ? -48.156 -14.032 -3.002 1.00 17.17 ? 82 ASN B OD1 1 ATOM 2231 N ND2 . ASN B 2 84 ? -47.514 -15.740 -4.325 1.00 13.07 ? 82 ASN B ND2 1 ATOM 2232 N N . TYR B 2 85 ? -45.373 -10.765 -5.844 1.00 14.44 ? 83 TYR B N 1 ATOM 2233 C CA . TYR B 2 85 ? -44.266 -9.877 -6.167 1.00 16.06 ? 83 TYR B CA 1 ATOM 2234 C C . TYR B 2 85 ? -44.356 -8.635 -5.283 1.00 18.62 ? 83 TYR B C 1 ATOM 2235 O O . TYR B 2 85 ? -43.360 -8.193 -4.719 1.00 17.83 ? 83 TYR B O 1 ATOM 2236 C CB . TYR B 2 85 ? -44.330 -9.480 -7.642 1.00 15.04 ? 83 TYR B CB 1 ATOM 2237 C CG . TYR B 2 85 ? -43.134 -8.702 -8.153 1.00 17.39 ? 83 TYR B CG 1 ATOM 2238 C CD1 . TYR B 2 85 ? -42.097 -9.345 -8.819 1.00 18.18 ? 83 TYR B CD1 1 ATOM 2239 C CD2 . TYR B 2 85 ? -43.049 -7.326 -7.986 1.00 21.77 ? 83 TYR B CD2 1 ATOM 2240 C CE1 . TYR B 2 85 ? -41.009 -8.638 -9.300 1.00 18.70 ? 83 TYR B CE1 1 ATOM 2241 C CE2 . TYR B 2 85 ? -41.957 -6.610 -8.461 1.00 20.77 ? 83 TYR B CE2 1 ATOM 2242 C CZ . TYR B 2 85 ? -40.947 -7.270 -9.119 1.00 19.19 ? 83 TYR B CZ 1 ATOM 2243 O OH . TYR B 2 85 ? -39.866 -6.559 -9.600 1.00 24.64 ? 83 TYR B OH 1 ATOM 2244 N N . GLY B 2 86 ? -45.563 -8.093 -5.154 1.00 18.54 ? 84 GLY B N 1 ATOM 2245 C CA . GLY B 2 86 ? -45.791 -6.921 -4.331 1.00 19.65 ? 84 GLY B CA 1 ATOM 2246 C C . GLY B 2 86 ? -45.465 -7.174 -2.874 1.00 19.30 ? 84 GLY B C 1 ATOM 2247 O O . GLY B 2 86 ? -44.952 -6.296 -2.183 1.00 21.53 ? 84 GLY B O 1 ATOM 2248 N N . VAL B 2 87 ? -45.742 -8.389 -2.411 1.00 18.29 ? 85 VAL B N 1 ATOM 2249 C CA . VAL B 2 87 ? -45.513 -8.735 -1.014 1.00 16.57 ? 85 VAL B CA 1 ATOM 2250 C C . VAL B 2 87 ? -44.021 -8.837 -0.708 1.00 16.66 ? 85 VAL B C 1 ATOM 2251 O O . VAL B 2 87 ? -43.552 -8.362 0.332 1.00 18.52 ? 85 VAL B O 1 ATOM 2252 C CB . VAL B 2 87 ? -46.220 -10.061 -0.641 1.00 18.82 ? 85 VAL B CB 1 ATOM 2253 C CG1 . VAL B 2 87 ? -45.831 -10.509 0.761 1.00 20.96 ? 85 VAL B CG1 1 ATOM 2254 C CG2 . VAL B 2 87 ? -47.735 -9.899 -0.747 1.00 21.15 ? 85 VAL B CG2 1 ATOM 2255 N N . VAL B 2 88 ? -43.264 -9.424 -1.629 1.00 16.05 ? 86 VAL B N 1 ATOM 2256 C CA . VAL B 2 88 ? -41.874 -9.751 -1.322 1.00 15.87 ? 86 VAL B CA 1 ATOM 2257 C C . VAL B 2 88 ? -40.811 -8.841 -1.938 1.00 17.78 ? 86 VAL B C 1 ATOM 2258 O O . VAL B 2 88 ? -39.643 -8.917 -1.549 1.00 17.15 ? 86 VAL B O 1 ATOM 2259 C CB . VAL B 2 88 ? -41.548 -11.223 -1.681 1.00 17.36 ? 86 VAL B CB 1 ATOM 2260 C CG1 . VAL B 2 88 ? -42.580 -12.163 -1.051 1.00 18.58 ? 86 VAL B CG1 1 ATOM 2261 C CG2 . VAL B 2 88 ? -41.490 -11.415 -3.188 1.00 14.99 ? 86 VAL B CG2 1 ATOM 2262 N N . GLU B 2 89 ? -41.198 -7.979 -2.877 1.00 20.49 ? 87 GLU B N 1 ATOM 2263 C CA . GLU B 2 89 ? -40.207 -7.235 -3.663 1.00 18.07 ? 87 GLU B CA 1 ATOM 2264 C C . GLU B 2 89 ? -39.227 -6.399 -2.845 1.00 22.17 ? 87 GLU B C 1 ATOM 2265 O O . GLU B 2 89 ? -38.057 -6.266 -3.223 1.00 20.65 ? 87 GLU B O 1 ATOM 2266 C CB . GLU B 2 89 ? -40.873 -6.378 -4.746 1.00 22.04 ? 87 GLU B CB 1 ATOM 2267 C CG . GLU B 2 89 ? -41.846 -5.339 -4.224 1.00 26.52 ? 87 GLU B CG 1 ATOM 2268 C CD . GLU B 2 89 ? -41.168 -4.040 -3.838 1.00 37.11 ? 87 GLU B CD 1 ATOM 2269 O OE1 . GLU B 2 89 ? -41.763 -3.273 -3.051 1.00 40.14 ? 87 GLU B OE1 1 ATOM 2270 O OE2 . GLU B 2 89 ? -40.043 -3.782 -4.323 1.00 39.52 ? 87 GLU B OE2 1 ATOM 2271 N N . SER B 2 90 ? -39.690 -5.847 -1.725 1.00 19.94 ? 88 SER B N 1 ATOM 2272 C CA . SER B 2 90 ? -38.849 -4.944 -0.933 1.00 22.86 ? 88 SER B CA 1 ATOM 2273 C C . SER B 2 90 ? -37.621 -5.615 -0.325 1.00 23.96 ? 88 SER B C 1 ATOM 2274 O O . SER B 2 90 ? -36.609 -4.954 -0.089 1.00 23.03 ? 88 SER B O 1 ATOM 2275 C CB . SER B 2 90 ? -39.661 -4.250 0.169 1.00 23.11 ? 88 SER B CB 1 ATOM 2276 O OG . SER B 2 90 ? -39.892 -5.119 1.265 1.00 25.20 ? 88 SER B OG 1 ATOM 2277 N N . PHE B 2 91 ? -37.700 -6.919 -0.073 1.00 22.71 ? 89 PHE B N 1 ATOM 2278 C CA . PHE B 2 91 ? -36.577 -7.626 0.537 1.00 24.30 ? 89 PHE B CA 1 ATOM 2279 C C . PHE B 2 91 ? -35.964 -8.681 -0.378 1.00 21.96 ? 89 PHE B C 1 ATOM 2280 O O . PHE B 2 91 ? -35.084 -9.437 0.034 1.00 20.32 ? 89 PHE B O 1 ATOM 2281 C CB . PHE B 2 91 ? -36.966 -8.232 1.891 1.00 21.08 ? 89 PHE B CB 1 ATOM 2282 C CG . PHE B 2 91 ? -38.157 -9.155 1.838 1.00 19.77 ? 89 PHE B CG 1 ATOM 2283 C CD1 . PHE B 2 91 ? -37.987 -10.511 1.612 1.00 21.17 ? 89 PHE B CD1 1 ATOM 2284 C CD2 . PHE B 2 91 ? -39.441 -8.670 2.053 1.00 21.73 ? 89 PHE B CD2 1 ATOM 2285 C CE1 . PHE B 2 91 ? -39.071 -11.366 1.580 1.00 23.37 ? 89 PHE B CE1 1 ATOM 2286 C CE2 . PHE B 2 91 ? -40.535 -9.520 2.020 1.00 22.18 ? 89 PHE B CE2 1 ATOM 2287 C CZ . PHE B 2 91 ? -40.347 -10.873 1.782 1.00 22.53 ? 89 PHE B CZ 1 ATOM 2288 N N . THR B 2 92 ? -36.429 -8.722 -1.622 1.00 19.05 ? 90 THR B N 1 ATOM 2289 C CA . THR B 2 92 ? -35.890 -9.648 -2.613 1.00 19.14 ? 90 THR B CA 1 ATOM 2290 C C . THR B 2 92 ? -35.374 -8.883 -3.833 1.00 18.98 ? 90 THR B C 1 ATOM 2291 O O . THR B 2 92 ? -34.162 -8.742 -4.023 1.00 15.45 ? 90 THR B O 1 ATOM 2292 C CB . THR B 2 92 ? -36.936 -10.696 -3.048 1.00 16.52 ? 90 THR B CB 1 ATOM 2293 O OG1 . THR B 2 92 ? -38.107 -10.041 -3.560 1.00 17.78 ? 90 THR B OG1 1 ATOM 2294 C CG2 . THR B 2 92 ? -37.336 -11.573 -1.867 1.00 17.82 ? 90 THR B CG2 1 ATOM 2295 N N . VAL B 2 93 ? -36.304 -8.386 -4.644 1.00 16.99 ? 91 VAL B N 1 ATOM 2296 C CA . VAL B 2 93 ? -35.989 -7.573 -5.812 1.00 17.44 ? 91 VAL B CA 1 ATOM 2297 C C . VAL B 2 93 ? -35.090 -6.391 -5.446 1.00 19.61 ? 91 VAL B C 1 ATOM 2298 O O . VAL B 2 93 ? -34.133 -6.078 -6.157 1.00 19.60 ? 91 VAL B O 1 ATOM 2299 C CB . VAL B 2 93 ? -37.289 -7.031 -6.464 1.00 18.84 ? 91 VAL B CB 1 ATOM 2300 C CG1 . VAL B 2 93 ? -36.964 -6.034 -7.572 1.00 20.13 ? 91 VAL B CG1 1 ATOM 2301 C CG2 . VAL B 2 93 ? -38.138 -8.188 -6.994 1.00 19.22 ? 91 VAL B CG2 1 ATOM 2302 N N . GLN B 2 94 ? -35.384 -5.755 -4.317 1.00 17.51 ? 92 GLN B N 1 ATOM 2303 C CA . GLN B 2 94 ? -34.623 -4.581 -3.896 1.00 17.66 ? 92 GLN B CA 1 ATOM 2304 C C . GLN B 2 94 ? -33.397 -4.904 -3.037 1.00 20.79 ? 92 GLN B C 1 ATOM 2305 O O . GLN B 2 94 ? -32.670 -3.999 -2.639 1.00 19.79 ? 92 GLN B O 1 ATOM 2306 C CB . GLN B 2 94 ? -35.526 -3.592 -3.158 1.00 19.27 ? 92 GLN B CB 1 ATOM 2307 C CG . GLN B 2 94 ? -36.636 -3.027 -4.020 1.00 27.60 ? 92 GLN B CG 1 ATOM 2308 C CD . GLN B 2 94 ? -37.442 -1.958 -3.309 1.00 40.49 ? 92 GLN B CD 1 ATOM 2309 O OE1 . GLN B 2 94 ? -37.027 -1.433 -2.275 1.00 48.08 ? 92 GLN B OE1 1 ATOM 2310 N NE2 . GLN B 2 94 ? -38.599 -1.626 -3.865 1.00 42.92 ? 92 GLN B NE2 1 ATOM 2311 N N . ARG B 2 95 ? -33.166 -6.182 -2.750 1.00 18.29 ? 93 ARG B N 1 ATOM 2312 C CA . ARG B 2 95 ? -32.030 -6.566 -1.909 1.00 16.13 ? 93 ARG B CA 1 ATOM 2313 C C . ARG B 2 95 ? -30.684 -6.240 -2.558 1.00 16.67 ? 93 ARG B C 1 ATOM 2314 O O . ARG B 2 95 ? -30.422 -6.626 -3.697 1.00 15.60 ? 93 ARG B O 1 ATOM 2315 C CB . ARG B 2 95 ? -32.098 -8.056 -1.565 1.00 14.56 ? 93 ARG B CB 1 ATOM 2316 C CG . ARG B 2 95 ? -30.966 -8.558 -0.678 1.00 14.65 ? 93 ARG B CG 1 ATOM 2317 C CD . ARG B 2 95 ? -31.181 -10.034 -0.346 1.00 13.89 ? 93 ARG B CD 1 ATOM 2318 N NE . ARG B 2 95 ? -30.010 -10.648 0.275 1.00 13.56 ? 93 ARG B NE 1 ATOM 2319 C CZ . ARG B 2 95 ? -29.730 -10.575 1.573 1.00 14.87 ? 93 ARG B CZ 1 ATOM 2320 N NH1 . ARG B 2 95 ? -30.545 -9.918 2.393 1.00 14.64 ? 93 ARG B NH1 1 ATOM 2321 N NH2 . ARG B 2 95 ? -28.638 -11.163 2.052 1.00 16.86 ? 93 ARG B NH2 1 ATOM 2322 N N . ARG B 2 96 ? -29.843 -5.521 -1.821 1.00 15.52 ? 94 ARG B N 1 ATOM 2323 C CA . ARG B 2 96 ? -28.501 -5.168 -2.271 1.00 16.87 ? 94 ARG B CA 1 ATOM 2324 C C . ARG B 2 96 ? -27.531 -5.327 -1.116 1.00 18.95 ? 94 ARG B C 1 ATOM 2325 O O . ARG B 2 96 ? -27.667 -4.660 -0.089 1.00 21.75 ? 94 ARG B O 1 ATOM 2326 C CB . ARG B 2 96 ? -28.454 -3.709 -2.743 1.00 19.71 ? 94 ARG B CB 1 ATOM 2327 C CG . ARG B 2 96 ? -29.360 -3.388 -3.914 1.00 23.74 ? 94 ARG B CG 1 ATOM 2328 C CD . ARG B 2 96 ? -28.823 -3.949 -5.220 1.00 23.43 ? 94 ARG B CD 1 ATOM 2329 N NE . ARG B 2 96 ? -29.622 -3.490 -6.354 1.00 28.25 ? 94 ARG B NE 1 ATOM 2330 C CZ . ARG B 2 96 ? -30.704 -4.119 -6.805 1.00 33.34 ? 94 ARG B CZ 1 ATOM 2331 N NH1 . ARG B 2 96 ? -31.113 -5.239 -6.222 1.00 33.07 ? 94 ARG B NH1 1 ATOM 2332 N NH2 . ARG B 2 96 ? -31.380 -3.628 -7.836 1.00 34.93 ? 94 ARG B NH2 1 ATOM 2333 N N . VAL B 2 97 ? -26.547 -6.203 -1.285 1.00 14.55 ? 95 VAL B N 1 ATOM 2334 C CA . VAL B 2 97 ? -25.519 -6.399 -0.269 1.00 14.52 ? 95 VAL B CA 1 ATOM 2335 C C . VAL B 2 97 ? -24.171 -6.269 -0.968 1.00 13.99 ? 95 VAL B C 1 ATOM 2336 O O . VAL B 2 97 ? -23.905 -6.982 -1.934 1.00 14.83 ? 95 VAL B O 1 ATOM 2337 C CB . VAL B 2 97 ? -25.633 -7.798 0.387 1.00 13.10 ? 95 VAL B CB 1 ATOM 2338 C CG1 . VAL B 2 97 ? -24.632 -7.944 1.520 1.00 16.66 ? 95 VAL B CG1 1 ATOM 2339 C CG2 . VAL B 2 97 ? -27.063 -8.042 0.898 1.00 15.97 ? 95 VAL B CG2 1 ATOM 2340 N N A TYR B 2 98 ? -23.335 -5.337 -0.524 0.55 13.40 ? 96 TYR B N 1 ATOM 2341 N N B TYR B 2 98 ? -23.330 -5.375 -0.445 0.45 13.41 ? 96 TYR B N 1 ATOM 2342 C CA A TYR B 2 98 ? -22.084 -5.098 -1.240 0.55 13.13 ? 96 TYR B CA 1 ATOM 2343 C CA B TYR B 2 98 ? -21.988 -5.123 -0.970 0.45 13.20 ? 96 TYR B CA 1 ATOM 2344 C C A TYR B 2 98 ? -21.011 -6.131 -0.902 0.55 12.71 ? 96 TYR B C 1 ATOM 2345 C C B TYR B 2 98 ? -21.123 -6.376 -0.949 0.45 13.43 ? 96 TYR B C 1 ATOM 2346 O O A TYR B 2 98 ? -20.952 -6.624 0.221 0.55 12.95 ? 96 TYR B O 1 ATOM 2347 O O B TYR B 2 98 ? -21.297 -7.240 -0.092 0.45 12.60 ? 96 TYR B O 1 ATOM 2348 C CB A TYR B 2 98 ? -21.584 -3.651 -1.068 0.55 13.96 ? 96 TYR B CB 1 ATOM 2349 C CB B TYR B 2 98 ? -21.261 -4.079 -0.114 0.45 14.04 ? 96 TYR B CB 1 ATOM 2350 C CG A TYR B 2 98 ? -21.220 -3.230 0.337 0.55 17.47 ? 96 TYR B CG 1 ATOM 2351 C CG B TYR B 2 98 ? -22.028 -2.824 0.235 0.45 15.95 ? 96 TYR B CG 1 ATOM 2352 C CD1 A TYR B 2 98 ? -22.047 -2.381 1.063 0.55 17.81 ? 96 TYR B CD1 1 ATOM 2353 C CD1 B TYR B 2 98 ? -22.740 -2.118 -0.725 0.45 15.27 ? 96 TYR B CD1 1 ATOM 2354 C CD2 A TYR B 2 98 ? -20.036 -3.652 0.927 0.55 14.75 ? 96 TYR B CD2 1 ATOM 2355 C CD2 B TYR B 2 98 ? -22.011 -2.332 1.533 0.45 18.12 ? 96 TYR B CD2 1 ATOM 2356 C CE1 A TYR B 2 98 ? -21.712 -1.978 2.344 0.55 18.56 ? 96 TYR B CE1 1 ATOM 2357 C CE1 B TYR B 2 98 ? -23.427 -0.962 -0.392 0.45 19.40 ? 96 TYR B CE1 1 ATOM 2358 C CE2 A TYR B 2 98 ? -19.694 -3.259 2.209 0.55 19.69 ? 96 TYR B CE2 1 ATOM 2359 C CE2 B TYR B 2 98 ? -22.691 -1.186 1.873 0.45 18.00 ? 96 TYR B CE2 1 ATOM 2360 C CZ A TYR B 2 98 ? -20.535 -2.420 2.914 0.55 18.48 ? 96 TYR B CZ 1 ATOM 2361 C CZ B TYR B 2 98 ? -23.395 -0.502 0.910 0.45 17.31 ? 96 TYR B CZ 1 ATOM 2362 O OH A TYR B 2 98 ? -20.194 -2.026 4.192 0.55 17.98 ? 96 TYR B OH 1 ATOM 2363 O OH B TYR B 2 98 ? -24.075 0.644 1.261 0.45 18.62 ? 96 TYR B OH 1 ATOM 2364 N N . PRO B 2 99 ? -20.173 -6.475 -1.890 1.00 13.76 ? 97 PRO B N 1 ATOM 2365 C CA . PRO B 2 99 ? -19.131 -7.490 -1.734 1.00 13.98 ? 97 PRO B CA 1 ATOM 2366 C C . PRO B 2 99 ? -17.986 -7.000 -0.846 1.00 16.10 ? 97 PRO B C 1 ATOM 2367 O O . PRO B 2 99 ? -17.675 -5.801 -0.831 1.00 14.46 ? 97 PRO B O 1 ATOM 2368 C CB . PRO B 2 99 ? -18.622 -7.684 -3.165 1.00 15.29 ? 97 PRO B CB 1 ATOM 2369 C CG . PRO B 2 99 ? -18.878 -6.372 -3.824 1.00 17.25 ? 97 PRO B CG 1 ATOM 2370 C CD . PRO B 2 99 ? -20.171 -5.885 -3.243 1.00 14.89 ? 97 PRO B CD 1 ATOM 2371 N N . GLU B 2 100 ? -17.379 -7.927 -0.107 1.00 12.49 ? 98 GLU B N 1 ATOM 2372 C CA . GLU B 2 100 ? -16.103 -7.680 0.563 1.00 13.09 ? 98 GLU B CA 1 ATOM 2373 C C . GLU B 2 100 ? -15.032 -8.221 -0.365 1.00 14.70 ? 98 GLU B C 1 ATOM 2374 O O . GLU B 2 100 ? -15.145 -9.343 -0.850 1.00 16.13 ? 98 GLU B O 1 ATOM 2375 C CB . GLU B 2 100 ? -16.030 -8.422 1.901 1.00 27.53 ? 98 GLU B CB 1 ATOM 2376 C CG . GLU B 2 100 ? -17.129 -8.074 2.893 1.00 40.06 ? 98 GLU B CG 1 ATOM 2377 C CD . GLU B 2 100 ? -16.844 -6.800 3.667 1.00 53.20 ? 98 GLU B CD 1 ATOM 2378 O OE1 . GLU B 2 100 ? -15.653 -6.495 3.899 1.00 57.54 ? 98 GLU B OE1 1 ATOM 2379 O OE2 . GLU B 2 100 ? -17.813 -6.104 4.044 1.00 59.11 ? 98 GLU B OE2 1 ATOM 2380 N N . VAL B 2 101 ? -13.998 -7.432 -0.624 1.00 12.84 ? 99 VAL B N 1 ATOM 2381 C CA . VAL B 2 101 ? -12.973 -7.843 -1.570 1.00 12.45 ? 99 VAL B CA 1 ATOM 2382 C C . VAL B 2 101 ? -11.609 -7.955 -0.891 1.00 13.12 ? 99 VAL B C 1 ATOM 2383 O O . VAL B 2 101 ? -11.173 -7.033 -0.196 1.00 16.68 ? 99 VAL B O 1 ATOM 2384 C CB . VAL B 2 101 ? -12.895 -6.866 -2.760 1.00 14.62 ? 99 VAL B CB 1 ATOM 2385 C CG1 . VAL B 2 101 ? -11.844 -7.322 -3.762 1.00 16.73 ? 99 VAL B CG1 1 ATOM 2386 C CG2 . VAL B 2 101 ? -14.258 -6.753 -3.427 1.00 16.27 ? 99 VAL B CG2 1 ATOM 2387 N N . THR B 2 102 ? -10.955 -9.098 -1.090 1.00 12.99 ? 100 THR B N 1 ATOM 2388 C CA . THR B 2 102 ? -9.639 -9.370 -0.516 1.00 15.92 ? 100 THR B CA 1 ATOM 2389 C C . THR B 2 102 ? -8.705 -9.847 -1.623 1.00 15.47 ? 100 THR B C 1 ATOM 2390 O O . THR B 2 102 ? -9.097 -10.660 -2.460 1.00 16.95 ? 100 THR B O 1 ATOM 2391 C CB . THR B 2 102 ? -9.725 -10.489 0.551 1.00 17.16 ? 100 THR B CB 1 ATOM 2392 O OG1 . THR B 2 102 ? -10.647 -10.107 1.579 1.00 24.07 ? 100 THR B OG1 1 ATOM 2393 C CG2 . THR B 2 102 ? -8.364 -10.751 1.178 1.00 22.15 ? 100 THR B CG2 1 ATOM 2394 N N . VAL B 2 103 ? -7.473 -9.345 -1.637 1.00 14.15 ? 101 VAL B N 1 ATOM 2395 C CA . VAL B 2 103 ? -6.486 -9.826 -2.591 1.00 13.70 ? 101 VAL B CA 1 ATOM 2396 C C . VAL B 2 103 ? -5.298 -10.431 -1.853 1.00 16.60 ? 101 VAL B C 1 ATOM 2397 O O . VAL B 2 103 ? -4.789 -9.851 -0.893 1.00 15.71 ? 101 VAL B O 1 ATOM 2398 C CB . VAL B 2 103 ? -5.988 -8.696 -3.529 1.00 14.12 ? 101 VAL B CB 1 ATOM 2399 C CG1 . VAL B 2 103 ? -4.861 -9.202 -4.418 1.00 16.45 ? 101 VAL B CG1 1 ATOM 2400 C CG2 . VAL B 2 103 ? -7.142 -8.154 -4.370 1.00 15.07 ? 101 VAL B CG2 1 ATOM 2401 N N . TYR B 2 104 ? -4.865 -11.606 -2.289 1.00 15.92 ? 102 TYR B N 1 ATOM 2402 C CA . TYR B 2 104 ? -3.688 -12.225 -1.692 1.00 17.10 ? 102 TYR B CA 1 ATOM 2403 C C . TYR B 2 104 ? -2.969 -13.105 -2.702 1.00 18.00 ? 102 TYR B C 1 ATOM 2404 O O . TYR B 2 104 ? -3.596 -13.633 -3.626 1.00 14.89 ? 102 TYR B O 1 ATOM 2405 C CB . TYR B 2 104 ? -4.068 -13.021 -0.439 1.00 16.64 ? 102 TYR B CB 1 ATOM 2406 C CG . TYR B 2 104 ? -5.085 -14.113 -0.676 1.00 20.71 ? 102 TYR B CG 1 ATOM 2407 C CD1 . TYR B 2 104 ? -4.686 -15.400 -1.018 1.00 22.90 ? 102 TYR B CD1 1 ATOM 2408 C CD2 . TYR B 2 104 ? -6.445 -13.859 -0.547 1.00 22.01 ? 102 TYR B CD2 1 ATOM 2409 C CE1 . TYR B 2 104 ? -5.619 -16.402 -1.231 1.00 27.14 ? 102 TYR B CE1 1 ATOM 2410 C CE2 . TYR B 2 104 ? -7.383 -14.854 -0.756 1.00 25.56 ? 102 TYR B CE2 1 ATOM 2411 C CZ . TYR B 2 104 ? -6.965 -16.122 -1.096 1.00 27.38 ? 102 TYR B CZ 1 ATOM 2412 O OH . TYR B 2 104 ? -7.900 -17.113 -1.307 1.00 30.80 ? 102 TYR B OH 1 ATOM 2413 N N . PRO B 2 105 ? -1.646 -13.257 -2.544 1.00 18.21 ? 103 PRO B N 1 ATOM 2414 C CA . PRO B 2 105 ? -0.904 -14.107 -3.474 1.00 19.27 ? 103 PRO B CA 1 ATOM 2415 C C . PRO B 2 105 ? -1.031 -15.576 -3.095 1.00 21.13 ? 103 PRO B C 1 ATOM 2416 O O . PRO B 2 105 ? -1.353 -15.901 -1.951 1.00 21.79 ? 103 PRO B O 1 ATOM 2417 C CB . PRO B 2 105 ? 0.538 -13.641 -3.278 1.00 17.67 ? 103 PRO B CB 1 ATOM 2418 C CG . PRO B 2 105 ? 0.585 -13.252 -1.834 1.00 19.94 ? 103 PRO B CG 1 ATOM 2419 C CD . PRO B 2 105 ? -0.758 -12.624 -1.548 1.00 17.73 ? 103 PRO B CD 1 ATOM 2420 N N . ALA B 2 106 ? -0.774 -16.457 -4.052 1.00 18.70 ? 104 ALA B N 1 ATOM 2421 C CA . ALA B 2 106 ? -0.819 -17.886 -3.786 1.00 21.29 ? 104 ALA B CA 1 ATOM 2422 C C . ALA B 2 106 ? 0.130 -18.608 -4.719 1.00 19.60 ? 104 ALA B C 1 ATOM 2423 O O . ALA B 2 106 ? 0.735 -18.000 -5.603 1.00 20.73 ? 104 ALA B O 1 ATOM 2424 C CB . ALA B 2 106 ? -2.234 -18.418 -3.941 1.00 22.24 ? 104 ALA B CB 1 ATOM 2425 N N . LYS B 2 107 ? 0.266 -19.909 -4.508 1.00 20.46 ? 105 LYS B N 1 ATOM 2426 C CA . LYS B 2 107 ? 1.150 -20.717 -5.328 1.00 24.46 ? 105 LYS B CA 1 ATOM 2427 C C . LYS B 2 107 ? 0.419 -21.975 -5.773 1.00 25.63 ? 105 LYS B C 1 ATOM 2428 O O . LYS B 2 107 ? -0.298 -22.601 -4.990 1.00 28.96 ? 105 LYS B O 1 ATOM 2429 C CB . LYS B 2 107 ? 2.439 -21.048 -4.568 1.00 33.89 ? 105 LYS B CB 1 ATOM 2430 C CG . LYS B 2 107 ? 2.228 -21.450 -3.120 1.00 40.58 ? 105 LYS B CG 1 ATOM 2431 C CD . LYS B 2 107 ? 3.517 -21.344 -2.315 1.00 44.79 ? 105 LYS B CD 1 ATOM 2432 C CE . LYS B 2 107 ? 3.983 -19.903 -2.191 1.00 44.27 ? 105 LYS B CE 1 ATOM 2433 N NZ . LYS B 2 107 ? 5.124 -19.769 -1.240 1.00 46.90 ? 105 LYS B NZ 1 ATOM 2434 N N . THR B 2 108 ? 0.583 -22.324 -7.043 1.00 22.14 ? 106 THR B N 1 ATOM 2435 C CA . THR B 2 108 ? -0.046 -23.516 -7.596 1.00 25.27 ? 106 THR B CA 1 ATOM 2436 C C . THR B 2 108 ? 0.445 -24.780 -6.890 1.00 26.16 ? 106 THR B C 1 ATOM 2437 O O . THR B 2 108 ? -0.345 -25.665 -6.559 1.00 28.67 ? 106 THR B O 1 ATOM 2438 C CB . THR B 2 108 ? 0.206 -23.606 -9.108 1.00 25.08 ? 106 THR B CB 1 ATOM 2439 O OG1 . THR B 2 108 ? -0.413 -22.481 -9.747 1.00 21.15 ? 106 THR B OG1 1 ATOM 2440 C CG2 . THR B 2 108 ? -0.371 -24.898 -9.677 1.00 27.55 ? 106 THR B CG2 1 ATOM 2441 N N . GLN B 2 109 ? 1.751 -24.848 -6.651 1.00 24.64 ? 107 GLN B N 1 ATOM 2442 C CA . GLN B 2 109 ? 2.345 -25.936 -5.888 1.00 27.73 ? 107 GLN B CA 1 ATOM 2443 C C . GLN B 2 109 ? 3.123 -25.346 -4.710 1.00 33.43 ? 107 GLN B C 1 ATOM 2444 O O . GLN B 2 109 ? 3.692 -24.261 -4.827 1.00 34.73 ? 107 GLN B O 1 ATOM 2445 C CB . GLN B 2 109 ? 3.234 -26.796 -6.791 1.00 31.82 ? 107 GLN B CB 1 ATOM 2446 C CG . GLN B 2 109 ? 2.481 -27.363 -7.988 1.00 31.86 ? 107 GLN B CG 1 ATOM 2447 C CD . GLN B 2 109 ? 3.348 -28.232 -8.872 1.00 48.10 ? 107 GLN B CD 1 ATOM 2448 O OE1 . GLN B 2 109 ? 4.206 -28.971 -8.386 1.00 57.69 ? 107 GLN B OE1 1 ATOM 2449 N NE2 . GLN B 2 109 ? 3.131 -28.148 -10.181 1.00 51.22 ? 107 GLN B NE2 1 ATOM 2450 N N . PRO B 2 110 ? 3.139 -26.056 -3.568 1.00 37.13 ? 108 PRO B N 1 ATOM 2451 C CA . PRO B 2 110 ? 3.551 -25.494 -2.272 1.00 40.35 ? 108 PRO B CA 1 ATOM 2452 C C . PRO B 2 110 ? 4.965 -24.899 -2.186 1.00 40.24 ? 108 PRO B C 1 ATOM 2453 O O . PRO B 2 110 ? 5.168 -23.972 -1.403 1.00 44.62 ? 108 PRO B O 1 ATOM 2454 C CB . PRO B 2 110 ? 3.416 -26.686 -1.312 1.00 44.48 ? 108 PRO B CB 1 ATOM 2455 C CG . PRO B 2 110 ? 3.433 -27.894 -2.189 1.00 44.67 ? 108 PRO B CG 1 ATOM 2456 C CD . PRO B 2 110 ? 2.742 -27.469 -3.442 1.00 39.79 ? 108 PRO B CD 1 ATOM 2457 N N . LEU B 2 111 ? 5.919 -25.408 -2.956 1.00 32.50 ? 109 LEU B N 1 ATOM 2458 C CA . LEU B 2 111 ? 7.291 -24.924 -2.831 1.00 32.09 ? 109 LEU B CA 1 ATOM 2459 C C . LEU B 2 111 ? 7.682 -23.928 -3.918 1.00 30.34 ? 109 LEU B C 1 ATOM 2460 O O . LEU B 2 111 ? 8.836 -23.511 -4.007 1.00 32.25 ? 109 LEU B O 1 ATOM 2461 C CB . LEU B 2 111 ? 8.275 -26.095 -2.794 1.00 37.48 ? 109 LEU B CB 1 ATOM 2462 C CG . LEU B 2 111 ? 8.160 -26.966 -1.542 1.00 41.82 ? 109 LEU B CG 1 ATOM 2463 C CD1 . LEU B 2 111 ? 9.187 -28.087 -1.561 1.00 41.29 ? 109 LEU B CD1 1 ATOM 2464 C CD2 . LEU B 2 111 ? 8.305 -26.110 -0.290 1.00 43.92 ? 109 LEU B CD2 1 ATOM 2465 N N . GLN B 2 112 ? 6.719 -23.547 -4.745 1.00 28.36 ? 110 GLN B N 1 ATOM 2466 C CA . GLN B 2 112 ? 6.968 -22.559 -5.781 1.00 28.85 ? 110 GLN B CA 1 ATOM 2467 C C . GLN B 2 112 ? 6.976 -21.160 -5.173 1.00 31.54 ? 110 GLN B C 1 ATOM 2468 O O . GLN B 2 112 ? 6.451 -20.946 -4.083 1.00 28.56 ? 110 GLN B O 1 ATOM 2469 C CB . GLN B 2 112 ? 5.894 -22.654 -6.871 1.00 25.34 ? 110 GLN B CB 1 ATOM 2470 C CG . GLN B 2 112 ? 5.973 -23.938 -7.689 1.00 26.36 ? 110 GLN B CG 1 ATOM 2471 C CD . GLN B 2 112 ? 4.781 -24.128 -8.611 1.00 25.22 ? 110 GLN B CD 1 ATOM 2472 O OE1 . GLN B 2 112 ? 3.701 -23.588 -8.374 1.00 24.56 ? 110 GLN B OE1 1 ATOM 2473 N NE2 . GLN B 2 112 ? 4.977 -24.900 -9.673 1.00 32.70 ? 110 GLN B NE2 1 ATOM 2474 N N . HIS B 2 113 ? 7.593 -20.213 -5.872 1.00 30.03 ? 111 HIS B N 1 ATOM 2475 C CA . HIS B 2 113 ? 7.424 -18.806 -5.538 1.00 27.38 ? 111 HIS B CA 1 ATOM 2476 C C . HIS B 2 113 ? 6.018 -18.436 -5.994 1.00 24.48 ? 111 HIS B C 1 ATOM 2477 O O . HIS B 2 113 ? 5.443 -19.136 -6.831 1.00 23.27 ? 111 HIS B O 1 ATOM 2478 C CB . HIS B 2 113 ? 8.478 -17.958 -6.259 1.00 26.93 ? 111 HIS B CB 1 ATOM 2479 C CG . HIS B 2 113 ? 8.421 -16.501 -5.921 1.00 26.33 ? 111 HIS B CG 1 ATOM 2480 N ND1 . HIS B 2 113 ? 8.991 -15.978 -4.778 1.00 34.41 ? 111 HIS B ND1 1 ATOM 2481 C CD2 . HIS B 2 113 ? 7.864 -15.453 -6.573 1.00 26.61 ? 111 HIS B CD2 1 ATOM 2482 C CE1 . HIS B 2 113 ? 8.786 -14.675 -4.741 1.00 34.89 ? 111 HIS B CE1 1 ATOM 2483 N NE2 . HIS B 2 113 ? 8.101 -14.330 -5.819 1.00 26.97 ? 111 HIS B NE2 1 ATOM 2484 N N . HIS B 2 114 ? 5.455 -17.366 -5.436 1.00 23.33 ? 112 HIS B N 1 ATOM 2485 C CA . HIS B 2 114 ? 4.113 -16.914 -5.812 1.00 21.79 ? 112 HIS B CA 1 ATOM 2486 C C . HIS B 2 114 ? 3.918 -16.892 -7.328 1.00 24.60 ? 112 HIS B C 1 ATOM 2487 O O . HIS B 2 114 ? 4.711 -16.288 -8.053 1.00 22.65 ? 112 HIS B O 1 ATOM 2488 C CB . HIS B 2 114 ? 3.850 -15.512 -5.259 1.00 20.78 ? 112 HIS B CB 1 ATOM 2489 C CG . HIS B 2 114 ? 3.675 -15.464 -3.772 1.00 24.32 ? 112 HIS B CG 1 ATOM 2490 N ND1 . HIS B 2 114 ? 4.133 -14.414 -3.005 1.00 28.84 ? 112 HIS B ND1 1 ATOM 2491 C CD2 . HIS B 2 114 ? 3.061 -16.316 -2.916 1.00 25.38 ? 112 HIS B CD2 1 ATOM 2492 C CE1 . HIS B 2 114 ? 3.828 -14.632 -1.738 1.00 30.29 ? 112 HIS B CE1 1 ATOM 2493 N NE2 . HIS B 2 114 ? 3.173 -15.777 -1.658 1.00 27.46 ? 112 HIS B NE2 1 ATOM 2494 N N . ASN B 2 115 ? 2.878 -17.569 -7.804 1.00 18.55 ? 113 ASN B N 1 ATOM 2495 C CA . ASN B 2 115 ? 2.565 -17.574 -9.229 1.00 17.92 ? 113 ASN B CA 1 ATOM 2496 C C . ASN B 2 115 ? 1.062 -17.454 -9.483 1.00 16.87 ? 113 ASN B C 1 ATOM 2497 O O . ASN B 2 115 ? 0.576 -17.740 -10.578 1.00 17.71 ? 113 ASN B O 1 ATOM 2498 C CB . ASN B 2 115 ? 3.176 -18.784 -9.944 1.00 19.18 ? 113 ASN B CB 1 ATOM 2499 C CG . ASN B 2 115 ? 2.804 -20.109 -9.297 1.00 21.54 ? 113 ASN B CG 1 ATOM 2500 O OD1 . ASN B 2 115 ? 1.908 -20.177 -8.458 1.00 20.96 ? 113 ASN B OD1 1 ATOM 2501 N ND2 . ASN B 2 115 ? 3.491 -21.175 -9.699 1.00 24.57 ? 113 ASN B ND2 1 ATOM 2502 N N . LEU B 2 116 ? 0.346 -17.015 -8.454 1.00 16.44 ? 114 LEU B N 1 ATOM 2503 C CA . LEU B 2 116 ? -1.072 -16.682 -8.559 1.00 15.65 ? 114 LEU B CA 1 ATOM 2504 C C . LEU B 2 116 ? -1.364 -15.445 -7.737 1.00 16.10 ? 114 LEU B C 1 ATOM 2505 O O . LEU B 2 116 ? -0.749 -15.224 -6.697 1.00 18.00 ? 114 LEU B O 1 ATOM 2506 C CB . LEU B 2 116 ? -1.940 -17.820 -8.013 1.00 15.74 ? 114 LEU B CB 1 ATOM 2507 C CG . LEU B 2 116 ? -1.921 -19.179 -8.698 1.00 23.81 ? 114 LEU B CG 1 ATOM 2508 C CD1 . LEU B 2 116 ? -2.581 -20.210 -7.802 1.00 26.17 ? 114 LEU B CD1 1 ATOM 2509 C CD2 . LEU B 2 116 ? -2.648 -19.083 -10.031 1.00 22.77 ? 114 LEU B CD2 1 ATOM 2510 N N . LEU B 2 117 ? -2.310 -14.638 -8.203 1.00 14.09 ? 115 LEU B N 1 ATOM 2511 C CA . LEU B 2 117 ? -2.893 -13.607 -7.373 1.00 13.71 ? 115 LEU B CA 1 ATOM 2512 C C . LEU B 2 117 ? -4.372 -13.916 -7.290 1.00 14.67 ? 115 LEU B C 1 ATOM 2513 O O . LEU B 2 117 ? -5.006 -14.155 -8.311 1.00 16.26 ? 115 LEU B O 1 ATOM 2514 C CB . LEU B 2 117 ? -2.685 -12.230 -7.985 1.00 19.14 ? 115 LEU B CB 1 ATOM 2515 C CG . LEU B 2 117 ? -1.316 -11.623 -7.706 1.00 21.83 ? 115 LEU B CG 1 ATOM 2516 C CD1 . LEU B 2 117 ? -1.247 -10.266 -8.366 1.00 25.89 ? 115 LEU B CD1 1 ATOM 2517 C CD2 . LEU B 2 117 ? -1.120 -11.505 -6.205 1.00 26.53 ? 115 LEU B CD2 1 ATOM 2518 N N . VAL B 2 118 ? -4.908 -13.926 -6.077 1.00 14.50 ? 116 VAL B N 1 ATOM 2519 C CA . VAL B 2 118 ? -6.304 -14.277 -5.862 1.00 14.10 ? 116 VAL B CA 1 ATOM 2520 C C . VAL B 2 118 ? -7.122 -13.052 -5.481 1.00 12.72 ? 116 VAL B C 1 ATOM 2521 O O . VAL B 2 118 ? -6.765 -12.332 -4.550 1.00 14.57 ? 116 VAL B O 1 ATOM 2522 C CB . VAL B 2 118 ? -6.435 -15.311 -4.729 1.00 17.96 ? 116 VAL B CB 1 ATOM 2523 C CG1 . VAL B 2 118 ? -7.899 -15.689 -4.522 1.00 20.07 ? 116 VAL B CG1 1 ATOM 2524 C CG2 . VAL B 2 118 ? -5.601 -16.544 -5.041 1.00 22.01 ? 116 VAL B CG2 1 ATOM 2525 N N . CYS B 2 119 ? -8.220 -12.812 -6.197 1.00 11.76 ? 117 CYS B N 1 ATOM 2526 C CA . CYS B 2 119 ? -9.184 -11.805 -5.778 1.00 11.78 ? 117 CYS B CA 1 ATOM 2527 C C . CYS B 2 119 ? -10.420 -12.520 -5.251 1.00 11.90 ? 117 CYS B C 1 ATOM 2528 O O . CYS B 2 119 ? -11.163 -13.147 -6.014 1.00 12.21 ? 117 CYS B O 1 ATOM 2529 C CB . CYS B 2 119 ? -9.572 -10.884 -6.935 1.00 11.53 ? 117 CYS B CB 1 ATOM 2530 S SG . CYS B 2 119 ? -10.660 -9.524 -6.414 1.00 14.73 ? 117 CYS B SG 1 ATOM 2531 N N . SER B 2 120 ? -10.617 -12.448 -3.939 1.00 11.71 ? 118 SER B N 1 ATOM 2532 C CA . SER B 2 120 ? -11.738 -13.115 -3.294 1.00 11.76 ? 118 SER B CA 1 ATOM 2533 C C . SER B 2 120 ? -12.843 -12.101 -3.070 1.00 12.03 ? 118 SER B C 1 ATOM 2534 O O . SER B 2 120 ? -12.650 -11.110 -2.368 1.00 13.72 ? 118 SER B O 1 ATOM 2535 C CB . SER B 2 120 ? -11.303 -13.725 -1.957 1.00 16.93 ? 118 SER B CB 1 ATOM 2536 O OG . SER B 2 120 ? -12.354 -14.472 -1.360 1.00 19.06 ? 118 SER B OG 1 ATOM 2537 N N . VAL B 2 121 ? -14.000 -12.349 -3.678 1.00 11.05 ? 119 VAL B N 1 ATOM 2538 C CA . VAL B 2 121 ? -15.109 -11.405 -3.622 1.00 10.86 ? 119 VAL B CA 1 ATOM 2539 C C . VAL B 2 121 ? -16.249 -12.102 -2.897 1.00 11.95 ? 119 VAL B C 1 ATOM 2540 O O . VAL B 2 121 ? -16.780 -13.091 -3.393 1.00 12.05 ? 119 VAL B O 1 ATOM 2541 C CB . VAL B 2 121 ? -15.551 -10.991 -5.035 1.00 13.73 ? 119 VAL B CB 1 ATOM 2542 C CG1 . VAL B 2 121 ? -16.597 -9.897 -4.971 1.00 12.33 ? 119 VAL B CG1 1 ATOM 2543 C CG2 . VAL B 2 121 ? -14.352 -10.513 -5.845 1.00 14.61 ? 119 VAL B CG2 1 ATOM 2544 N N . ASN B 2 122 ? -16.604 -11.601 -1.717 1.00 11.39 ? 120 ASN B N 1 ATOM 2545 C CA . ASN B 2 122 ? -17.459 -12.356 -0.801 1.00 11.77 ? 120 ASN B CA 1 ATOM 2546 C C . ASN B 2 122 ? -18.680 -11.609 -0.292 1.00 13.17 ? 120 ASN B C 1 ATOM 2547 O O . ASN B 2 122 ? -18.625 -10.408 -0.038 1.00 15.20 ? 120 ASN B O 1 ATOM 2548 C CB . ASN B 2 122 ? -16.651 -12.790 0.426 1.00 13.03 ? 120 ASN B CB 1 ATOM 2549 C CG . ASN B 2 122 ? -15.529 -13.719 0.081 1.00 18.78 ? 120 ASN B CG 1 ATOM 2550 O OD1 . ASN B 2 122 ? -14.441 -13.281 -0.289 1.00 18.82 ? 120 ASN B OD1 1 ATOM 2551 N ND2 . ASN B 2 122 ? -15.780 -15.019 0.202 1.00 20.07 ? 120 ASN B ND2 1 ATOM 2552 N N . GLY B 2 123 ? -19.772 -12.351 -0.122 1.00 12.68 ? 121 GLY B N 1 ATOM 2553 C CA . GLY B 2 123 ? -20.917 -11.893 0.643 1.00 12.28 ? 121 GLY B CA 1 ATOM 2554 C C . GLY B 2 123 ? -21.929 -11.025 -0.077 1.00 16.60 ? 121 GLY B C 1 ATOM 2555 O O . GLY B 2 123 ? -22.767 -10.390 0.573 1.00 15.71 ? 121 GLY B O 1 ATOM 2556 N N . PHE B 2 124 ? -21.877 -11.010 -1.407 1.00 11.41 ? 122 PHE B N 1 ATOM 2557 C CA . PHE B 2 124 ? -22.690 -10.068 -2.182 1.00 11.34 ? 122 PHE B CA 1 ATOM 2558 C C . PHE B 2 124 ? -24.046 -10.608 -2.622 1.00 11.38 ? 122 PHE B C 1 ATOM 2559 O O . PHE B 2 124 ? -24.263 -11.817 -2.673 1.00 11.36 ? 122 PHE B O 1 ATOM 2560 C CB . PHE B 2 124 ? -21.914 -9.520 -3.394 1.00 11.07 ? 122 PHE B CB 1 ATOM 2561 C CG . PHE B 2 124 ? -21.420 -10.577 -4.350 1.00 10.75 ? 122 PHE B CG 1 ATOM 2562 C CD1 . PHE B 2 124 ? -22.192 -10.974 -5.441 1.00 10.77 ? 122 PHE B CD1 1 ATOM 2563 C CD2 . PHE B 2 124 ? -20.174 -11.170 -4.167 1.00 11.32 ? 122 PHE B CD2 1 ATOM 2564 C CE1 . PHE B 2 124 ? -21.732 -11.931 -6.329 1.00 13.65 ? 122 PHE B CE1 1 ATOM 2565 C CE2 . PHE B 2 124 ? -19.711 -12.133 -5.055 1.00 11.48 ? 122 PHE B CE2 1 ATOM 2566 C CZ . PHE B 2 124 ? -20.487 -12.522 -6.132 1.00 13.28 ? 122 PHE B CZ 1 ATOM 2567 N N . TYR B 2 125 ? -24.957 -9.680 -2.910 1.00 12.60 ? 123 TYR B N 1 ATOM 2568 C CA . TYR B 2 125 ? -26.265 -9.996 -3.477 1.00 11.84 ? 123 TYR B CA 1 ATOM 2569 C C . TYR B 2 125 ? -26.750 -8.767 -4.238 1.00 12.22 ? 123 TYR B C 1 ATOM 2570 O O . TYR B 2 125 ? -26.615 -7.650 -3.738 1.00 14.64 ? 123 TYR B O 1 ATOM 2571 C CB . TYR B 2 125 ? -27.283 -10.350 -2.388 1.00 12.38 ? 123 TYR B CB 1 ATOM 2572 C CG . TYR B 2 125 ? -28.527 -10.953 -2.994 1.00 12.44 ? 123 TYR B CG 1 ATOM 2573 C CD1 . TYR B 2 125 ? -28.644 -12.323 -3.150 1.00 13.69 ? 123 TYR B CD1 1 ATOM 2574 C CD2 . TYR B 2 125 ? -29.561 -10.149 -3.460 1.00 13.92 ? 123 TYR B CD2 1 ATOM 2575 C CE1 . TYR B 2 125 ? -29.758 -12.882 -3.734 1.00 14.97 ? 123 TYR B CE1 1 ATOM 2576 C CE2 . TYR B 2 125 ? -30.681 -10.699 -4.049 1.00 14.76 ? 123 TYR B CE2 1 ATOM 2577 C CZ . TYR B 2 125 ? -30.775 -12.063 -4.182 1.00 14.49 ? 123 TYR B CZ 1 ATOM 2578 O OH . TYR B 2 125 ? -31.886 -12.627 -4.767 1.00 15.19 ? 123 TYR B OH 1 ATOM 2579 N N . PRO B 2 126 ? -27.312 -8.956 -5.445 1.00 14.51 ? 124 PRO B N 1 ATOM 2580 C CA . PRO B 2 126 ? -27.573 -10.223 -6.147 1.00 13.76 ? 124 PRO B CA 1 ATOM 2581 C C . PRO B 2 126 ? -26.344 -10.845 -6.808 1.00 17.03 ? 124 PRO B C 1 ATOM 2582 O O . PRO B 2 126 ? -25.217 -10.410 -6.559 1.00 14.05 ? 124 PRO B O 1 ATOM 2583 C CB . PRO B 2 126 ? -28.601 -9.824 -7.208 1.00 15.30 ? 124 PRO B CB 1 ATOM 2584 C CG . PRO B 2 126 ? -28.270 -8.401 -7.510 1.00 17.20 ? 124 PRO B CG 1 ATOM 2585 C CD . PRO B 2 126 ? -27.835 -7.798 -6.195 1.00 16.28 ? 124 PRO B CD 1 ATOM 2586 N N . GLY B 2 127 ? -26.572 -11.857 -7.641 1.00 17.43 ? 125 GLY B N 1 ATOM 2587 C CA . GLY B 2 127 ? -25.491 -12.654 -8.195 1.00 15.76 ? 125 GLY B CA 1 ATOM 2588 C C . GLY B 2 127 ? -24.646 -12.023 -9.286 1.00 17.05 ? 125 GLY B C 1 ATOM 2589 O O . GLY B 2 127 ? -23.458 -12.332 -9.402 1.00 18.95 ? 125 GLY B O 1 ATOM 2590 N N . SER B 2 128 ? -25.245 -11.148 -10.088 1.00 19.50 ? 126 SER B N 1 ATOM 2591 C CA . SER B 2 128 ? -24.545 -10.578 -11.233 1.00 17.41 ? 126 SER B CA 1 ATOM 2592 C C . SER B 2 128 ? -23.376 -9.722 -10.770 1.00 14.50 ? 126 SER B C 1 ATOM 2593 O O . SER B 2 128 ? -23.534 -8.812 -9.955 1.00 17.13 ? 126 SER B O 1 ATOM 2594 C CB . SER B 2 128 ? -25.495 -9.750 -12.097 1.00 28.48 ? 126 SER B CB 1 ATOM 2595 O OG . SER B 2 128 ? -25.897 -8.582 -11.411 1.00 38.37 ? 126 SER B OG 1 ATOM 2596 N N . ILE B 2 129 ? -22.193 -10.025 -11.288 1.00 15.27 ? 127 ILE B N 1 ATOM 2597 C CA . ILE B 2 129 ? -21.002 -9.310 -10.869 1.00 13.71 ? 127 ILE B CA 1 ATOM 2598 C C . ILE B 2 129 ? -19.941 -9.379 -11.963 1.00 13.23 ? 127 ILE B C 1 ATOM 2599 O O . ILE B 2 129 ? -19.934 -10.302 -12.784 1.00 16.61 ? 127 ILE B O 1 ATOM 2600 C CB . ILE B 2 129 ? -20.475 -9.875 -9.534 1.00 12.16 ? 127 ILE B CB 1 ATOM 2601 C CG1 . ILE B 2 129 ? -19.517 -8.879 -8.861 1.00 15.70 ? 127 ILE B CG1 1 ATOM 2602 C CG2 . ILE B 2 129 ? -19.849 -11.252 -9.742 1.00 14.99 ? 127 ILE B CG2 1 ATOM 2603 C CD1 . ILE B 2 129 ? -19.236 -9.183 -7.409 1.00 15.80 ? 127 ILE B CD1 1 ATOM 2604 N N . GLU B 2 130 ? -19.064 -8.385 -11.995 1.00 12.93 ? 128 GLU B N 1 ATOM 2605 C CA . GLU B 2 130 ? -17.984 -8.368 -12.969 1.00 13.16 ? 128 GLU B CA 1 ATOM 2606 C C . GLU B 2 130 ? -16.682 -8.102 -12.241 1.00 16.78 ? 128 GLU B C 1 ATOM 2607 O O . GLU B 2 130 ? -16.544 -7.094 -11.547 1.00 16.82 ? 128 GLU B O 1 ATOM 2608 C CB . GLU B 2 130 ? -18.238 -7.302 -14.037 1.00 19.61 ? 128 GLU B CB 1 ATOM 2609 C CG . GLU B 2 130 ? -17.202 -7.279 -15.152 1.00 29.46 ? 128 GLU B CG 1 ATOM 2610 C CD . GLU B 2 130 ? -17.382 -8.400 -16.162 1.00 41.45 ? 128 GLU B CD 1 ATOM 2611 O OE1 . GLU B 2 130 ? -16.393 -8.762 -16.835 1.00 45.00 ? 128 GLU B OE1 1 ATOM 2612 O OE2 . GLU B 2 130 ? -18.512 -8.913 -16.291 1.00 47.40 ? 128 GLU B OE2 1 ATOM 2613 N N . VAL B 2 131 ? -15.734 -9.023 -12.381 1.00 11.78 ? 129 VAL B N 1 ATOM 2614 C CA . VAL B 2 131 ? -14.453 -8.891 -11.707 1.00 11.44 ? 129 VAL B CA 1 ATOM 2615 C C . VAL B 2 131 ? -13.339 -8.874 -12.746 1.00 16.34 ? 129 VAL B C 1 ATOM 2616 O O . VAL B 2 131 ? -13.264 -9.761 -13.594 1.00 14.81 ? 129 VAL B O 1 ATOM 2617 C CB . VAL B 2 131 ? -14.215 -10.073 -10.740 1.00 12.07 ? 129 VAL B CB 1 ATOM 2618 C CG1 . VAL B 2 131 ? -12.891 -9.898 -10.013 1.00 12.04 ? 129 VAL B CG1 1 ATOM 2619 C CG2 . VAL B 2 131 ? -15.373 -10.187 -9.748 1.00 14.79 ? 129 VAL B CG2 1 ATOM 2620 N N . ARG B 2 132 ? -12.486 -7.857 -12.695 1.00 12.06 ? 130 ARG B N 1 ATOM 2621 C CA A ARG B 2 132 ? -11.397 -7.761 -13.656 0.42 13.83 ? 130 ARG B CA 1 ATOM 2622 C CA B ARG B 2 132 ? -11.408 -7.692 -13.671 0.58 13.80 ? 130 ARG B CA 1 ATOM 2623 C C . ARG B 2 132 ? -10.067 -7.479 -12.982 1.00 14.62 ? 130 ARG B C 1 ATOM 2624 O O . ARG B 2 132 ? -10.008 -6.888 -11.907 1.00 12.37 ? 130 ARG B O 1 ATOM 2625 C CB A ARG B 2 132 ? -11.700 -6.704 -14.721 0.42 15.89 ? 130 ARG B CB 1 ATOM 2626 C CB B ARG B 2 132 ? -11.680 -6.488 -14.581 0.58 14.33 ? 130 ARG B CB 1 ATOM 2627 C CG A ARG B 2 132 ? -12.866 -7.071 -15.625 0.42 19.54 ? 130 ARG B CG 1 ATOM 2628 C CG B ARG B 2 132 ? -12.928 -6.578 -15.451 0.58 20.69 ? 130 ARG B CG 1 ATOM 2629 C CD A ARG B 2 132 ? -13.067 -6.038 -16.715 0.42 26.17 ? 130 ARG B CD 1 ATOM 2630 C CD B ARG B 2 132 ? -13.044 -5.327 -16.318 0.58 25.81 ? 130 ARG B CD 1 ATOM 2631 N NE A ARG B 2 132 ? -14.244 -6.325 -17.528 0.42 33.38 ? 130 ARG B NE 1 ATOM 2632 N NE B ARG B 2 132 ? -14.285 -5.267 -17.088 0.58 32.98 ? 130 ARG B NE 1 ATOM 2633 C CZ A ARG B 2 132 ? -15.393 -5.664 -17.432 0.42 36.46 ? 130 ARG B CZ 1 ATOM 2634 C CZ B ARG B 2 132 ? -14.431 -5.758 -18.316 0.58 36.08 ? 130 ARG B CZ 1 ATOM 2635 N NH1 A ARG B 2 132 ? -15.516 -4.675 -16.557 0.42 36.09 ? 130 ARG B NH1 1 ATOM 2636 N NH1 B ARG B 2 132 ? -13.415 -6.361 -18.920 0.58 31.22 ? 130 ARG B NH1 1 ATOM 2637 N NH2 A ARG B 2 132 ? -16.418 -5.990 -18.209 0.42 40.13 ? 130 ARG B NH2 1 ATOM 2638 N NH2 B ARG B 2 132 ? -15.597 -5.652 -18.940 0.58 39.50 ? 130 ARG B NH2 1 ATOM 2639 N N . TRP B 2 133 ? -8.996 -7.934 -13.624 1.00 13.18 ? 131 TRP B N 1 ATOM 2640 C CA . TRP B 2 133 ? -7.650 -7.743 -13.102 1.00 12.63 ? 131 TRP B CA 1 ATOM 2641 C C . TRP B 2 133 ? -6.913 -6.693 -13.914 1.00 13.41 ? 131 TRP B C 1 ATOM 2642 O O . TRP B 2 133 ? -7.046 -6.640 -15.136 1.00 15.64 ? 131 TRP B O 1 ATOM 2643 C CB . TRP B 2 133 ? -6.868 -9.053 -13.169 1.00 13.30 ? 131 TRP B CB 1 ATOM 2644 C CG . TRP B 2 133 ? -7.011 -9.921 -11.958 1.00 11.99 ? 131 TRP B CG 1 ATOM 2645 C CD1 . TRP B 2 133 ? -7.690 -11.109 -11.867 1.00 14.82 ? 131 TRP B CD1 1 ATOM 2646 C CD2 . TRP B 2 133 ? -6.452 -9.680 -10.664 1.00 15.57 ? 131 TRP B CD2 1 ATOM 2647 N NE1 . TRP B 2 133 ? -7.584 -11.614 -10.592 1.00 13.40 ? 131 TRP B NE1 1 ATOM 2648 C CE2 . TRP B 2 133 ? -6.828 -10.759 -9.836 1.00 15.42 ? 131 TRP B CE2 1 ATOM 2649 C CE3 . TRP B 2 133 ? -5.674 -8.650 -10.120 1.00 16.63 ? 131 TRP B CE3 1 ATOM 2650 C CZ2 . TRP B 2 133 ? -6.452 -10.838 -8.494 1.00 15.59 ? 131 TRP B CZ2 1 ATOM 2651 C CZ3 . TRP B 2 133 ? -5.300 -8.732 -8.788 1.00 17.16 ? 131 TRP B CZ3 1 ATOM 2652 C CH2 . TRP B 2 133 ? -5.687 -9.822 -7.992 1.00 15.95 ? 131 TRP B CH2 1 ATOM 2653 N N . PHE B 2 134 ? -6.126 -5.871 -13.226 1.00 13.62 ? 132 PHE B N 1 ATOM 2654 C CA . PHE B 2 134 ? -5.280 -4.882 -13.883 1.00 16.09 ? 132 PHE B CA 1 ATOM 2655 C C . PHE B 2 134 ? -3.851 -4.977 -13.383 1.00 18.19 ? 132 PHE B C 1 ATOM 2656 O O . PHE B 2 134 ? -3.617 -5.284 -12.214 1.00 17.89 ? 132 PHE B O 1 ATOM 2657 C CB . PHE B 2 134 ? -5.807 -3.471 -13.639 1.00 15.93 ? 132 PHE B CB 1 ATOM 2658 C CG . PHE B 2 134 ? -7.155 -3.222 -14.243 1.00 17.78 ? 132 PHE B CG 1 ATOM 2659 C CD1 . PHE B 2 134 ? -8.301 -3.729 -13.647 1.00 16.70 ? 132 PHE B CD1 1 ATOM 2660 C CD2 . PHE B 2 134 ? -7.279 -2.486 -15.408 1.00 16.99 ? 132 PHE B CD2 1 ATOM 2661 C CE1 . PHE B 2 134 ? -9.537 -3.510 -14.203 1.00 16.21 ? 132 PHE B CE1 1 ATOM 2662 C CE2 . PHE B 2 134 ? -8.520 -2.264 -15.969 1.00 18.36 ? 132 PHE B CE2 1 ATOM 2663 C CZ . PHE B 2 134 ? -9.648 -2.772 -15.365 1.00 18.56 ? 132 PHE B CZ 1 ATOM 2664 N N . ARG B 2 135 ? -2.898 -4.723 -14.277 1.00 19.97 ? 133 ARG B N 1 ATOM 2665 C CA . ARG B 2 135 ? -1.492 -4.607 -13.898 1.00 17.52 ? 133 ARG B CA 1 ATOM 2666 C C . ARG B 2 135 ? -0.997 -3.248 -14.376 1.00 20.98 ? 133 ARG B C 1 ATOM 2667 O O . ARG B 2 135 ? -0.988 -2.973 -15.574 1.00 23.69 ? 133 ARG B O 1 ATOM 2668 C CB . ARG B 2 135 ? -0.652 -5.743 -14.497 1.00 19.14 ? 133 ARG B CB 1 ATOM 2669 C CG . ARG B 2 135 ? 0.822 -5.727 -14.072 1.00 23.06 ? 133 ARG B CG 1 ATOM 2670 C CD . ARG B 2 135 ? 1.561 -6.974 -14.544 1.00 24.42 ? 133 ARG B CD 1 ATOM 2671 N NE . ARG B 2 135 ? 1.598 -7.077 -16.001 1.00 29.49 ? 133 ARG B NE 1 ATOM 2672 C CZ . ARG B 2 135 ? 2.575 -6.588 -16.762 1.00 30.72 ? 133 ARG B CZ 1 ATOM 2673 N NH1 . ARG B 2 135 ? 2.525 -6.725 -18.079 1.00 30.97 ? 133 ARG B NH1 1 ATOM 2674 N NH2 . ARG B 2 135 ? 3.604 -5.966 -16.207 1.00 32.88 ? 133 ARG B NH2 1 ATOM 2675 N N . ASN B 2 136 ? -0.611 -2.399 -13.429 1.00 21.43 ? 134 ASN B N 1 ATOM 2676 C CA . ASN B 2 136 ? -0.239 -1.016 -13.721 1.00 24.46 ? 134 ASN B CA 1 ATOM 2677 C C . ASN B 2 136 ? -1.281 -0.266 -14.546 1.00 27.21 ? 134 ASN B C 1 ATOM 2678 O O . ASN B 2 136 ? -0.934 0.481 -15.460 1.00 31.50 ? 134 ASN B O 1 ATOM 2679 C CB . ASN B 2 136 ? 1.115 -0.947 -14.430 1.00 29.16 ? 134 ASN B CB 1 ATOM 2680 C CG . ASN B 2 136 ? 2.209 -1.655 -13.668 1.00 31.65 ? 134 ASN B CG 1 ATOM 2681 O OD1 . ASN B 2 136 ? 2.268 -1.598 -12.439 1.00 31.64 ? 134 ASN B OD1 1 ATOM 2682 N ND2 . ASN B 2 136 ? 3.089 -2.327 -14.398 1.00 34.85 ? 134 ASN B ND2 1 ATOM 2683 N N . GLY B 2 137 ? -2.555 -0.476 -14.235 1.00 23.68 ? 135 GLY B N 1 ATOM 2684 C CA . GLY B 2 137 ? -3.615 0.267 -14.889 1.00 24.48 ? 135 GLY B CA 1 ATOM 2685 C C . GLY B 2 137 ? -4.079 -0.300 -16.222 1.00 25.92 ? 135 GLY B C 1 ATOM 2686 O O . GLY B 2 137 ? -4.998 0.243 -16.833 1.00 26.55 ? 135 GLY B O 1 ATOM 2687 N N . GLN B 2 138 ? -3.449 -1.382 -16.673 1.00 23.68 ? 136 GLN B N 1 ATOM 2688 C CA . GLN B 2 138 ? -3.843 -2.047 -17.916 1.00 23.22 ? 136 GLN B CA 1 ATOM 2689 C C . GLN B 2 138 ? -4.530 -3.365 -17.596 1.00 19.15 ? 136 GLN B C 1 ATOM 2690 O O . GLN B 2 138 ? -4.043 -4.129 -16.768 1.00 17.00 ? 136 GLN B O 1 ATOM 2691 C CB . GLN B 2 138 ? -2.626 -2.307 -18.807 1.00 26.18 ? 136 GLN B CB 1 ATOM 2692 C CG . GLN B 2 138 ? -1.935 -1.049 -19.298 1.00 39.96 ? 136 GLN B CG 1 ATOM 2693 C CD . GLN B 2 138 ? -2.855 -0.163 -20.119 1.00 52.89 ? 136 GLN B CD 1 ATOM 2694 O OE1 . GLN B 2 138 ? -3.537 -0.631 -21.033 1.00 57.42 ? 136 GLN B OE1 1 ATOM 2695 N NE2 . GLN B 2 138 ? -2.886 1.123 -19.788 1.00 56.24 ? 136 GLN B NE2 1 ATOM 2696 N N . GLU B 2 139 ? -5.668 -3.632 -18.232 1.00 19.96 ? 137 GLU B N 1 ATOM 2697 C CA . GLU B 2 139 ? -6.380 -4.870 -17.933 1.00 15.75 ? 137 GLU B CA 1 ATOM 2698 C C . GLU B 2 139 ? -5.599 -6.093 -18.406 1.00 18.32 ? 137 GLU B C 1 ATOM 2699 O O . GLU B 2 139 ? -5.057 -6.113 -19.509 1.00 22.13 ? 137 GLU B O 1 ATOM 2700 C CB . GLU B 2 139 ? -7.809 -4.888 -18.494 1.00 16.80 ? 137 GLU B CB 1 ATOM 2701 C CG . GLU B 2 139 ? -8.574 -6.133 -18.043 1.00 19.74 ? 137 GLU B CG 1 ATOM 2702 C CD . GLU B 2 139 ? -10.010 -6.190 -18.528 1.00 25.23 ? 137 GLU B CD 1 ATOM 2703 O OE1 . GLU B 2 139 ? -10.482 -5.204 -19.124 1.00 26.66 ? 137 GLU B OE1 1 ATOM 2704 O OE2 . GLU B 2 139 ? -10.663 -7.235 -18.307 1.00 26.74 ? 137 GLU B OE2 1 ATOM 2705 N N . GLU B 2 140 ? -5.526 -7.094 -17.536 1.00 14.97 ? 138 GLU B N 1 ATOM 2706 C CA . GLU B 2 140 ? -4.887 -8.361 -17.850 1.00 18.16 ? 138 GLU B CA 1 ATOM 2707 C C . GLU B 2 140 ? -5.987 -9.352 -18.184 1.00 17.07 ? 138 GLU B C 1 ATOM 2708 O O . GLU B 2 140 ? -6.855 -9.628 -17.355 1.00 18.52 ? 138 GLU B O 1 ATOM 2709 C CB . GLU B 2 140 ? -4.091 -8.861 -16.646 1.00 22.42 ? 138 GLU B CB 1 ATOM 2710 C CG . GLU B 2 140 ? -2.983 -7.927 -16.192 1.00 32.05 ? 138 GLU B CG 1 ATOM 2711 C CD . GLU B 2 140 ? -1.780 -7.933 -17.128 1.00 44.72 ? 138 GLU B CD 1 ATOM 2712 O OE1 . GLU B 2 140 ? -0.835 -8.709 -16.876 1.00 52.16 ? 138 GLU B OE1 1 ATOM 2713 O OE2 . GLU B 2 140 ? -1.772 -7.156 -18.108 1.00 47.29 ? 138 GLU B OE2 1 ATOM 2714 N N . LYS B 2 141 ? -5.962 -9.882 -19.401 1.00 17.39 ? 139 LYS B N 1 ATOM 2715 C CA . LYS B 2 141 ? -7.009 -10.802 -19.835 1.00 18.45 ? 139 LYS B CA 1 ATOM 2716 C C . LYS B 2 141 ? -6.486 -12.226 -19.972 1.00 15.11 ? 139 LYS B C 1 ATOM 2717 O O . LYS B 2 141 ? -7.257 -13.186 -19.958 1.00 19.93 ? 139 LYS B O 1 ATOM 2718 C CB . LYS B 2 141 ? -7.615 -10.332 -21.158 1.00 25.23 ? 139 LYS B CB 1 ATOM 2719 C CG . LYS B 2 141 ? -8.352 -9.000 -21.061 1.00 29.62 ? 139 LYS B CG 1 ATOM 2720 C CD . LYS B 2 141 ? -9.078 -8.673 -22.359 1.00 33.88 ? 139 LYS B CD 1 ATOM 2721 C CE . LYS B 2 141 ? -10.017 -7.493 -22.178 1.00 40.28 ? 139 LYS B CE 1 ATOM 2722 N NZ . LYS B 2 141 ? -10.669 -7.094 -23.458 1.00 42.77 ? 139 LYS B NZ 1 ATOM 2723 N N . THR B 2 142 ? -5.172 -12.354 -20.091 1.00 15.00 ? 140 THR B N 1 ATOM 2724 C CA . THR B 2 142 ? -4.544 -13.660 -20.219 1.00 14.65 ? 140 THR B CA 1 ATOM 2725 C C . THR B 2 142 ? -4.302 -14.280 -18.848 1.00 16.77 ? 140 THR B C 1 ATOM 2726 O O . THR B 2 142 ? -3.858 -13.603 -17.919 1.00 17.89 ? 140 THR B O 1 ATOM 2727 C CB . THR B 2 142 ? -3.206 -13.549 -20.981 1.00 18.03 ? 140 THR B CB 1 ATOM 2728 O OG1 . THR B 2 142 ? -3.420 -12.853 -22.215 1.00 21.49 ? 140 THR B OG1 1 ATOM 2729 C CG2 . THR B 2 142 ? -2.628 -14.927 -21.268 1.00 20.32 ? 140 THR B CG2 1 ATOM 2730 N N . GLY B 2 143 ? -4.607 -15.566 -18.718 1.00 14.51 ? 141 GLY B N 1 ATOM 2731 C CA . GLY B 2 143 ? -4.309 -16.295 -17.500 1.00 12.90 ? 141 GLY B CA 1 ATOM 2732 C C . GLY B 2 143 ? -5.257 -15.998 -16.355 1.00 13.80 ? 141 GLY B C 1 ATOM 2733 O O . GLY B 2 143 ? -4.873 -16.066 -15.188 1.00 17.01 ? 141 GLY B O 1 ATOM 2734 N N . VAL B 2 144 ? -6.498 -15.665 -16.685 1.00 14.17 ? 142 VAL B N 1 ATOM 2735 C CA . VAL B 2 144 ? -7.516 -15.450 -15.669 1.00 12.29 ? 142 VAL B CA 1 ATOM 2736 C C . VAL B 2 144 ? -8.410 -16.684 -15.563 1.00 15.58 ? 142 VAL B C 1 ATOM 2737 O O . VAL B 2 144 ? -8.863 -17.219 -16.574 1.00 13.78 ? 142 VAL B O 1 ATOM 2738 C CB . VAL B 2 144 ? -8.370 -14.209 -15.989 1.00 12.98 ? 142 VAL B CB 1 ATOM 2739 C CG1 . VAL B 2 144 ? -9.455 -14.036 -14.938 1.00 14.46 ? 142 VAL B CG1 1 ATOM 2740 C CG2 . VAL B 2 144 ? -7.484 -12.966 -16.068 1.00 14.25 ? 142 VAL B CG2 1 ATOM 2741 N N . VAL B 2 145 ? -8.632 -17.150 -14.336 1.00 11.23 ? 143 VAL B N 1 ATOM 2742 C CA . VAL B 2 145 ? -9.451 -18.332 -14.092 1.00 11.89 ? 143 VAL B CA 1 ATOM 2743 C C . VAL B 2 145 ? -10.229 -18.093 -12.805 1.00 14.09 ? 143 VAL B C 1 ATOM 2744 O O . VAL B 2 145 ? -9.810 -17.294 -11.963 1.00 13.74 ? 143 VAL B O 1 ATOM 2745 C CB . VAL B 2 145 ? -8.571 -19.613 -14.019 1.00 15.88 ? 143 VAL B CB 1 ATOM 2746 C CG1 . VAL B 2 145 ? -7.635 -19.562 -12.818 1.00 21.48 ? 143 VAL B CG1 1 ATOM 2747 C CG2 . VAL B 2 145 ? -9.421 -20.878 -13.992 1.00 17.33 ? 143 VAL B CG2 1 ATOM 2748 N N . SER B 2 146 ? -11.373 -18.754 -12.655 1.00 12.77 ? 144 SER B N 1 ATOM 2749 C CA . SER B 2 146 ? -12.279 -18.421 -11.567 1.00 12.38 ? 144 SER B CA 1 ATOM 2750 C C . SER B 2 146 ? -13.029 -19.645 -11.062 1.00 16.37 ? 144 SER B C 1 ATOM 2751 O O . SER B 2 146 ? -13.101 -20.663 -11.746 1.00 16.16 ? 144 SER B O 1 ATOM 2752 C CB . SER B 2 146 ? -13.290 -17.367 -12.052 1.00 15.28 ? 144 SER B CB 1 ATOM 2753 O OG . SER B 2 146 ? -14.268 -17.077 -11.067 1.00 12.39 ? 144 SER B OG 1 ATOM 2754 N N . THR B 2 147 ? -13.583 -19.538 -9.859 1.00 13.35 ? 145 THR B N 1 ATOM 2755 C CA . THR B 2 147 ? -14.526 -20.532 -9.360 1.00 16.95 ? 145 THR B CA 1 ATOM 2756 C C . THR B 2 147 ? -15.858 -20.436 -10.084 1.00 16.05 ? 145 THR B C 1 ATOM 2757 O O . THR B 2 147 ? -16.675 -21.357 -10.017 1.00 16.24 ? 145 THR B O 1 ATOM 2758 C CB . THR B 2 147 ? -14.836 -20.299 -7.875 1.00 14.77 ? 145 THR B CB 1 ATOM 2759 O OG1 . THR B 2 147 ? -15.245 -18.936 -7.701 1.00 13.18 ? 145 THR B OG1 1 ATOM 2760 C CG2 . THR B 2 147 ? -13.612 -20.574 -7.025 1.00 19.16 ? 145 THR B CG2 1 ATOM 2761 N N . GLY B 2 148 ? -16.083 -19.313 -10.760 1.00 13.52 ? 146 GLY B N 1 ATOM 2762 C CA . GLY B 2 148 ? -17.402 -18.981 -11.264 1.00 13.96 ? 146 GLY B CA 1 ATOM 2763 C C . GLY B 2 148 ? -18.218 -18.420 -10.114 1.00 14.51 ? 146 GLY B C 1 ATOM 2764 O O . GLY B 2 148 ? -17.681 -18.200 -9.026 1.00 13.61 ? 146 GLY B O 1 ATOM 2765 N N . LEU B 2 149 ? -19.510 -18.197 -10.342 1.00 12.00 ? 147 LEU B N 1 ATOM 2766 C CA . LEU B 2 149 ? -20.380 -17.651 -9.306 1.00 9.89 ? 147 LEU B CA 1 ATOM 2767 C C . LEU B 2 149 ? -20.826 -18.752 -8.359 1.00 13.70 ? 147 LEU B C 1 ATOM 2768 O O . LEU B 2 149 ? -21.400 -19.758 -8.785 1.00 14.34 ? 147 LEU B O 1 ATOM 2769 C CB . LEU B 2 149 ? -21.606 -16.979 -9.928 1.00 13.03 ? 147 LEU B CB 1 ATOM 2770 C CG . LEU B 2 149 ? -22.578 -16.326 -8.939 1.00 15.49 ? 147 LEU B CG 1 ATOM 2771 C CD1 . LEU B 2 149 ? -21.927 -15.126 -8.244 1.00 14.10 ? 147 LEU B CD1 1 ATOM 2772 C CD2 . LEU B 2 149 ? -23.901 -15.927 -9.614 1.00 18.65 ? 147 LEU B CD2 1 ATOM 2773 N N . ILE B 2 150 ? -20.563 -18.561 -7.072 1.00 12.06 ? 148 ILE B N 1 ATOM 2774 C CA . ILE B 2 150 ? -20.916 -19.554 -6.066 1.00 12.76 ? 148 ILE B CA 1 ATOM 2775 C C . ILE B 2 150 ? -22.036 -19.035 -5.172 1.00 10.85 ? 148 ILE B C 1 ATOM 2776 O O . ILE B 2 150 ? -21.905 -17.982 -4.544 1.00 12.14 ? 148 ILE B O 1 ATOM 2777 C CB . ILE B 2 150 ? -19.711 -19.887 -5.184 1.00 13.93 ? 148 ILE B CB 1 ATOM 2778 C CG1 . ILE B 2 150 ? -18.568 -20.472 -6.020 1.00 17.25 ? 148 ILE B CG1 1 ATOM 2779 C CG2 . ILE B 2 150 ? -20.109 -20.841 -4.063 1.00 18.35 ? 148 ILE B CG2 1 ATOM 2780 C CD1 . ILE B 2 150 ? -17.303 -20.626 -5.235 1.00 23.83 ? 148 ILE B CD1 1 ATOM 2781 N N . GLN B 2 151 ? -23.144 -19.769 -5.126 1.00 10.47 ? 149 GLN B N 1 ATOM 2782 C CA . GLN B 2 151 ? -24.259 -19.413 -4.261 1.00 17.70 ? 149 GLN B CA 1 ATOM 2783 C C . GLN B 2 151 ? -24.010 -20.026 -2.884 1.00 23.46 ? 149 GLN B C 1 ATOM 2784 O O . GLN B 2 151 ? -23.733 -21.221 -2.776 1.00 28.50 ? 149 GLN B O 1 ATOM 2785 C CB . GLN B 2 151 ? -25.576 -19.924 -4.868 1.00 24.58 ? 149 GLN B CB 1 ATOM 2786 C CG . GLN B 2 151 ? -26.807 -19.113 -4.493 1.00 30.41 ? 149 GLN B CG 1 ATOM 2787 C CD . GLN B 2 151 ? -27.980 -19.327 -5.438 1.00 36.58 ? 149 GLN B CD 1 ATOM 2788 O OE1 . GLN B 2 151 ? -28.039 -20.322 -6.161 1.00 35.21 ? 149 GLN B OE1 1 ATOM 2789 N NE2 . GLN B 2 151 ? -28.918 -18.385 -5.440 1.00 37.83 ? 149 GLN B NE2 1 ATOM 2790 N N . ASN B 2 152 ? -24.077 -19.210 -1.833 1.00 13.91 ? 150 ASN B N 1 ATOM 2791 C CA . ASN B 2 152 ? -23.809 -19.705 -0.480 1.00 11.48 ? 150 ASN B CA 1 ATOM 2792 C C . ASN B 2 152 ? -25.025 -20.334 0.204 1.00 13.43 ? 150 ASN B C 1 ATOM 2793 O O . ASN B 2 152 ? -24.892 -20.973 1.245 1.00 15.85 ? 150 ASN B O 1 ATOM 2794 C CB . ASN B 2 152 ? -23.235 -18.606 0.401 1.00 14.27 ? 150 ASN B CB 1 ATOM 2795 C CG . ASN B 2 152 ? -21.851 -18.193 -0.031 1.00 16.17 ? 150 ASN B CG 1 ATOM 2796 O OD1 . ASN B 2 152 ? -21.038 -19.033 -0.414 1.00 16.46 ? 150 ASN B OD1 1 ATOM 2797 N ND2 . ASN B 2 152 ? -21.581 -16.895 0.007 1.00 13.10 ? 150 ASN B ND2 1 ATOM 2798 N N . GLY B 2 153 ? -26.206 -20.140 -0.376 1.00 12.70 ? 151 GLY B N 1 ATOM 2799 C CA . GLY B 2 153 ? -27.419 -20.761 0.138 1.00 10.60 ? 151 GLY B CA 1 ATOM 2800 C C . GLY B 2 153 ? -28.151 -19.895 1.148 1.00 13.08 ? 151 GLY B C 1 ATOM 2801 O O . GLY B 2 153 ? -29.230 -20.259 1.624 1.00 13.45 ? 151 GLY B O 1 ATOM 2802 N N . ASP B 2 154 ? -27.571 -18.741 1.462 1.00 12.04 ? 152 ASP B N 1 ATOM 2803 C CA . ASP B 2 154 ? -28.085 -17.866 2.513 1.00 12.32 ? 152 ASP B CA 1 ATOM 2804 C C . ASP B 2 154 ? -28.306 -16.438 2.018 1.00 13.85 ? 152 ASP B C 1 ATOM 2805 O O . ASP B 2 154 ? -28.145 -15.482 2.778 1.00 13.96 ? 152 ASP B O 1 ATOM 2806 C CB . ASP B 2 154 ? -27.108 -17.847 3.692 1.00 17.48 ? 152 ASP B CB 1 ATOM 2807 C CG . ASP B 2 154 ? -25.761 -17.234 3.323 1.00 21.55 ? 152 ASP B CG 1 ATOM 2808 O OD1 . ASP B 2 154 ? -25.523 -16.988 2.117 1.00 15.52 ? 152 ASP B OD1 1 ATOM 2809 O OD2 . ASP B 2 154 ? -24.942 -17.004 4.239 1.00 20.94 ? 152 ASP B OD2 1 ATOM 2810 N N . TRP B 2 155 ? -28.676 -16.308 0.747 1.00 12.20 ? 153 TRP B N 1 ATOM 2811 C CA . TRP B 2 155 ? -28.882 -15.010 0.109 1.00 9.25 ? 153 TRP B CA 1 ATOM 2812 C C . TRP B 2 155 ? -27.593 -14.195 -0.000 1.00 11.33 ? 153 TRP B C 1 ATOM 2813 O O . TRP B 2 155 ? -27.623 -12.965 -0.011 1.00 11.01 ? 153 TRP B O 1 ATOM 2814 C CB . TRP B 2 155 ? -29.994 -14.209 0.799 1.00 10.39 ? 153 TRP B CB 1 ATOM 2815 C CG . TRP B 2 155 ? -31.356 -14.828 0.619 1.00 11.75 ? 153 TRP B CG 1 ATOM 2816 C CD1 . TRP B 2 155 ? -31.854 -15.919 1.271 1.00 13.51 ? 153 TRP B CD1 1 ATOM 2817 C CD2 . TRP B 2 155 ? -32.377 -14.399 -0.284 1.00 11.74 ? 153 TRP B CD2 1 ATOM 2818 N NE1 . TRP B 2 155 ? -33.132 -16.195 0.831 1.00 13.63 ? 153 TRP B NE1 1 ATOM 2819 C CE2 . TRP B 2 155 ? -33.479 -15.271 -0.119 1.00 12.95 ? 153 TRP B CE2 1 ATOM 2820 C CE3 . TRP B 2 155 ? -32.473 -13.359 -1.214 1.00 11.66 ? 153 TRP B CE3 1 ATOM 2821 C CZ2 . TRP B 2 155 ? -34.657 -15.134 -0.850 1.00 12.29 ? 153 TRP B CZ2 1 ATOM 2822 C CZ3 . TRP B 2 155 ? -33.650 -13.219 -1.937 1.00 13.45 ? 153 TRP B CZ3 1 ATOM 2823 C CH2 . TRP B 2 155 ? -34.724 -14.105 -1.754 1.00 13.50 ? 153 TRP B CH2 1 ATOM 2824 N N . THR B 2 156 ? -26.465 -14.887 -0.095 1.00 9.56 ? 154 THR B N 1 ATOM 2825 C CA . THR B 2 156 ? -25.217 -14.235 -0.482 1.00 9.56 ? 154 THR B CA 1 ATOM 2826 C C . THR B 2 156 ? -24.487 -15.107 -1.489 1.00 12.95 ? 154 THR B C 1 ATOM 2827 O O . THR B 2 156 ? -24.727 -16.313 -1.567 1.00 12.76 ? 154 THR B O 1 ATOM 2828 C CB . THR B 2 156 ? -24.273 -13.948 0.713 1.00 11.36 ? 154 THR B CB 1 ATOM 2829 O OG1 . THR B 2 156 ? -23.752 -15.179 1.238 1.00 13.31 ? 154 THR B OG1 1 ATOM 2830 C CG2 . THR B 2 156 ? -24.991 -13.169 1.821 1.00 13.07 ? 154 THR B CG2 1 ATOM 2831 N N . PHE B 2 157 ? -23.598 -14.483 -2.254 1.00 11.03 ? 155 PHE B N 1 ATOM 2832 C CA . PHE B 2 157 ? -22.765 -15.182 -3.221 1.00 11.73 ? 155 PHE B CA 1 ATOM 2833 C C . PHE B 2 157 ? -21.289 -14.935 -2.920 1.00 12.01 ? 155 PHE B C 1 ATOM 2834 O O . PHE B 2 157 ? -20.939 -14.034 -2.162 1.00 13.20 ? 155 PHE B O 1 ATOM 2835 C CB . PHE B 2 157 ? -23.037 -14.654 -4.629 1.00 11.76 ? 155 PHE B CB 1 ATOM 2836 C CG . PHE B 2 157 ? -24.410 -14.968 -5.154 1.00 12.98 ? 155 PHE B CG 1 ATOM 2837 C CD1 . PHE B 2 157 ? -25.475 -14.119 -4.901 1.00 13.63 ? 155 PHE B CD1 1 ATOM 2838 C CD2 . PHE B 2 157 ? -24.623 -16.099 -5.918 1.00 13.41 ? 155 PHE B CD2 1 ATOM 2839 C CE1 . PHE B 2 157 ? -26.742 -14.400 -5.402 1.00 16.39 ? 155 PHE B CE1 1 ATOM 2840 C CE2 . PHE B 2 157 ? -25.887 -16.389 -6.420 1.00 16.27 ? 155 PHE B CE2 1 ATOM 2841 C CZ . PHE B 2 157 ? -26.946 -15.537 -6.158 1.00 16.76 ? 155 PHE B CZ 1 ATOM 2842 N N . GLN B 2 158 ? -20.421 -15.726 -3.538 1.00 9.46 ? 156 GLN B N 1 ATOM 2843 C CA . GLN B 2 158 ? -19.005 -15.396 -3.550 1.00 8.33 ? 156 GLN B CA 1 ATOM 2844 C C . GLN B 2 158 ? -18.367 -15.837 -4.861 1.00 10.69 ? 156 GLN B C 1 ATOM 2845 O O . GLN B 2 158 ? -18.942 -16.618 -5.617 1.00 11.26 ? 156 GLN B O 1 ATOM 2846 C CB . GLN B 2 158 ? -18.285 -16.036 -2.359 1.00 11.02 ? 156 GLN B CB 1 ATOM 2847 C CG . GLN B 2 158 ? -18.256 -17.555 -2.394 1.00 10.82 ? 156 GLN B CG 1 ATOM 2848 C CD . GLN B 2 158 ? -17.473 -18.122 -1.236 1.00 15.44 ? 156 GLN B CD 1 ATOM 2849 O OE1 . GLN B 2 158 ? -16.261 -17.939 -1.153 1.00 16.70 ? 156 GLN B OE1 1 ATOM 2850 N NE2 . GLN B 2 158 ? -18.162 -18.797 -0.321 1.00 13.64 ? 156 GLN B NE2 1 ATOM 2851 N N . THR B 2 159 ? -17.176 -15.324 -5.138 1.00 9.93 ? 157 THR B N 1 ATOM 2852 C CA . THR B 2 159 ? -16.421 -15.797 -6.285 1.00 10.50 ? 157 THR B CA 1 ATOM 2853 C C . THR B 2 159 ? -14.951 -15.509 -6.050 1.00 11.71 ? 157 THR B C 1 ATOM 2854 O O . THR B 2 159 ? -14.605 -14.499 -5.438 1.00 13.39 ? 157 THR B O 1 ATOM 2855 C CB . THR B 2 159 ? -16.908 -15.167 -7.625 1.00 13.94 ? 157 THR B CB 1 ATOM 2856 O OG1 . THR B 2 159 ? -16.184 -15.741 -8.725 1.00 14.33 ? 157 THR B OG1 1 ATOM 2857 C CG2 . THR B 2 159 ? -16.725 -13.645 -7.634 1.00 12.96 ? 157 THR B CG2 1 ATOM 2858 N N . LEU B 2 160 ? -14.090 -16.425 -6.487 1.00 8.81 ? 158 LEU B N 1 ATOM 2859 C CA . LEU B 2 160 ? -12.656 -16.165 -6.487 1.00 11.76 ? 158 LEU B CA 1 ATOM 2860 C C . LEU B 2 160 ? -12.195 -16.047 -7.929 1.00 11.41 ? 158 LEU B C 1 ATOM 2861 O O . LEU B 2 160 ? -12.511 -16.896 -8.759 1.00 14.22 ? 158 LEU B O 1 ATOM 2862 C CB . LEU B 2 160 ? -11.883 -17.287 -5.794 1.00 13.80 ? 158 LEU B CB 1 ATOM 2863 C CG . LEU B 2 160 ? -12.228 -17.697 -4.357 1.00 28.63 ? 158 LEU B CG 1 ATOM 2864 C CD1 . LEU B 2 160 ? -10.981 -18.204 -3.643 1.00 27.41 ? 158 LEU B CD1 1 ATOM 2865 C CD2 . LEU B 2 160 ? -12.879 -16.593 -3.558 1.00 33.48 ? 158 LEU B CD2 1 ATOM 2866 N N . VAL B 2 161 ? -11.462 -14.982 -8.230 1.00 10.87 ? 159 VAL B N 1 ATOM 2867 C CA . VAL B 2 161 ? -10.932 -14.777 -9.566 1.00 11.48 ? 159 VAL B CA 1 ATOM 2868 C C . VAL B 2 161 ? -9.421 -14.668 -9.445 1.00 11.55 ? 159 VAL B C 1 ATOM 2869 O O . VAL B 2 161 ? -8.906 -13.775 -8.770 1.00 12.65 ? 159 VAL B O 1 ATOM 2870 C CB . VAL B 2 161 ? -11.501 -13.496 -10.201 1.00 10.25 ? 159 VAL B CB 1 ATOM 2871 C CG1 . VAL B 2 161 ? -10.966 -13.311 -11.614 1.00 13.41 ? 159 VAL B CG1 1 ATOM 2872 C CG2 . VAL B 2 161 ? -13.013 -13.558 -10.220 1.00 10.45 ? 159 VAL B CG2 1 ATOM 2873 N N . MET B 2 162 ? -8.709 -15.595 -10.072 1.00 10.33 ? 160 MET B N 1 ATOM 2874 C CA A MET B 2 162 ? -7.244 -15.684 -10.020 0.73 10.77 ? 160 MET B CA 1 ATOM 2875 C CA B MET B 2 162 ? -7.265 -15.514 -9.975 0.27 11.35 ? 160 MET B CA 1 ATOM 2876 C C . MET B 2 162 ? -6.568 -15.136 -11.269 1.00 13.19 ? 160 MET B C 1 ATOM 2877 O O . MET B 2 162 ? -7.086 -15.309 -12.372 1.00 14.60 ? 160 MET B O 1 ATOM 2878 C CB A MET B 2 162 ? -6.819 -17.147 -9.894 0.73 13.35 ? 160 MET B CB 1 ATOM 2879 C CB B MET B 2 162 ? -6.644 -16.746 -9.306 0.27 15.07 ? 160 MET B CB 1 ATOM 2880 C CG A MET B 2 162 ? -6.849 -17.709 -8.494 0.73 19.11 ? 160 MET B CG 1 ATOM 2881 C CG B MET B 2 162 ? -7.264 -18.071 -9.660 0.27 17.69 ? 160 MET B CG 1 ATOM 2882 S SD A MET B 2 162 ? -8.505 -17.739 -7.805 0.73 22.89 ? 160 MET B SD 1 ATOM 2883 S SD B MET B 2 162 ? -6.852 -19.298 -8.404 0.27 29.49 ? 160 MET B SD 1 ATOM 2884 C CE A MET B 2 162 ? -9.352 -18.860 -8.915 0.73 21.81 ? 160 MET B CE 1 ATOM 2885 C CE B MET B 2 162 ? -8.206 -19.071 -7.256 0.27 19.69 ? 160 MET B CE 1 ATOM 2886 N N . LEU B 2 163 ? -5.398 -14.538 -11.095 1.00 11.91 ? 161 LEU B N 1 ATOM 2887 C CA . LEU B 2 163 ? -4.570 -14.113 -12.205 1.00 12.44 ? 161 LEU B CA 1 ATOM 2888 C C . LEU B 2 163 ? -3.289 -14.929 -12.144 1.00 12.44 ? 161 LEU B C 1 ATOM 2889 O O . LEU B 2 163 ? -2.581 -14.907 -11.138 1.00 15.08 ? 161 LEU B O 1 ATOM 2890 C CB . LEU B 2 163 ? -4.241 -12.633 -12.078 1.00 12.40 ? 161 LEU B CB 1 ATOM 2891 C CG . LEU B 2 163 ? -3.323 -12.067 -13.154 1.00 14.44 ? 161 LEU B CG 1 ATOM 2892 C CD1 . LEU B 2 163 ? -3.997 -12.135 -14.521 1.00 19.27 ? 161 LEU B CD1 1 ATOM 2893 C CD2 . LEU B 2 163 ? -2.923 -10.647 -12.804 1.00 18.69 ? 161 LEU B CD2 1 ATOM 2894 N N . GLU B 2 164 ? -3.008 -15.657 -13.219 1.00 13.38 ? 162 GLU B N 1 ATOM 2895 C CA . GLU B 2 164 ? -1.834 -16.508 -13.276 1.00 15.88 ? 162 GLU B CA 1 ATOM 2896 C C . GLU B 2 164 ? -0.630 -15.679 -13.694 1.00 16.82 ? 162 GLU B C 1 ATOM 2897 O O . GLU B 2 164 ? -0.356 -15.502 -14.879 1.00 21.85 ? 162 GLU B O 1 ATOM 2898 C CB . GLU B 2 164 ? -2.072 -17.686 -14.227 1.00 17.79 ? 162 GLU B CB 1 ATOM 2899 C CG . GLU B 2 164 ? -3.176 -18.610 -13.725 1.00 17.45 ? 162 GLU B CG 1 ATOM 2900 C CD . GLU B 2 164 ? -3.565 -19.698 -14.714 1.00 23.69 ? 162 GLU B CD 1 ATOM 2901 O OE1 . GLU B 2 164 ? -3.434 -19.483 -15.939 1.00 23.71 ? 162 GLU B OE1 1 ATOM 2902 O OE2 . GLU B 2 164 ? -4.021 -20.768 -14.255 1.00 24.02 ? 162 GLU B OE2 1 ATOM 2903 N N . THR B 2 165 ? 0.085 -15.171 -12.699 1.00 17.24 ? 163 THR B N 1 ATOM 2904 C CA . THR B 2 165 ? 1.235 -14.318 -12.942 1.00 16.42 ? 163 THR B CA 1 ATOM 2905 C C . THR B 2 165 ? 2.165 -14.397 -11.739 1.00 14.16 ? 163 THR B C 1 ATOM 2906 O O . THR B 2 165 ? 1.744 -14.764 -10.640 1.00 14.97 ? 163 THR B O 1 ATOM 2907 C CB . THR B 2 165 ? 0.783 -12.858 -13.166 1.00 21.70 ? 163 THR B CB 1 ATOM 2908 O OG1 . THR B 2 165 ? 1.872 -12.079 -13.673 1.00 25.62 ? 163 THR B OG1 1 ATOM 2909 C CG2 . THR B 2 165 ? 0.275 -12.244 -11.865 1.00 22.34 ? 163 THR B CG2 1 ATOM 2910 N N . VAL B 2 166 ? 3.433 -14.074 -11.947 1.00 14.96 ? 164 VAL B N 1 ATOM 2911 C CA . VAL B 2 166 ? 4.377 -14.005 -10.842 1.00 15.71 ? 164 VAL B CA 1 ATOM 2912 C C . VAL B 2 166 ? 4.598 -12.539 -10.508 1.00 17.72 ? 164 VAL B C 1 ATOM 2913 O O . VAL B 2 166 ? 5.136 -11.794 -11.327 1.00 18.81 ? 164 VAL B O 1 ATOM 2914 C CB . VAL B 2 166 ? 5.736 -14.636 -11.202 1.00 16.49 ? 164 VAL B CB 1 ATOM 2915 C CG1 . VAL B 2 166 ? 6.684 -14.546 -10.015 1.00 17.39 ? 164 VAL B CG1 1 ATOM 2916 C CG2 . VAL B 2 166 ? 5.565 -16.084 -11.646 1.00 17.06 ? 164 VAL B CG2 1 ATOM 2917 N N . PRO B 2 167 ? 4.161 -12.113 -9.314 1.00 17.11 ? 165 PRO B N 1 ATOM 2918 C CA . PRO B 2 167 ? 4.279 -10.701 -8.933 1.00 19.58 ? 165 PRO B CA 1 ATOM 2919 C C . PRO B 2 167 ? 5.723 -10.218 -8.961 1.00 24.73 ? 165 PRO B C 1 ATOM 2920 O O . PRO B 2 167 ? 6.626 -10.933 -8.524 1.00 24.45 ? 165 PRO B O 1 ATOM 2921 C CB . PRO B 2 167 ? 3.736 -10.680 -7.499 1.00 19.70 ? 165 PRO B CB 1 ATOM 2922 C CG . PRO B 2 167 ? 2.788 -11.835 -7.441 1.00 19.59 ? 165 PRO B CG 1 ATOM 2923 C CD . PRO B 2 167 ? 3.421 -12.899 -8.309 1.00 16.73 ? 165 PRO B CD 1 ATOM 2924 N N . ARG B 2 168 ? 5.937 -9.025 -9.504 1.00 25.70 ? 166 ARG B N 1 ATOM 2925 C CA . ARG B 2 168 ? 7.260 -8.413 -9.512 1.00 23.58 ? 166 ARG B CA 1 ATOM 2926 C C . ARG B 2 168 ? 7.246 -7.189 -8.614 1.00 23.47 ? 166 ARG B C 1 ATOM 2927 O O . ARG B 2 168 ? 6.238 -6.488 -8.534 1.00 24.53 ? 166 ARG B O 1 ATOM 2928 C CB . ARG B 2 168 ? 7.641 -7.966 -10.923 1.00 26.61 ? 166 ARG B CB 1 ATOM 2929 C CG . ARG B 2 168 ? 7.529 -9.032 -11.983 1.00 30.26 ? 166 ARG B CG 1 ATOM 2930 C CD . ARG B 2 168 ? 8.545 -10.122 -11.745 1.00 27.62 ? 166 ARG B CD 1 ATOM 2931 N NE . ARG B 2 168 ? 9.139 -10.595 -12.991 1.00 31.45 ? 166 ARG B NE 1 ATOM 2932 C CZ . ARG B 2 168 ? 8.529 -11.401 -13.855 1.00 26.50 ? 166 ARG B CZ 1 ATOM 2933 N NH1 . ARG B 2 168 ? 7.292 -11.818 -13.621 1.00 22.28 ? 166 ARG B NH1 1 ATOM 2934 N NH2 . ARG B 2 168 ? 9.159 -11.784 -14.956 1.00 30.19 ? 166 ARG B NH2 1 ATOM 2935 N N . SER B 2 169 ? 8.363 -6.930 -7.946 1.00 23.15 ? 167 SER B N 1 ATOM 2936 C CA . SER B 2 169 ? 8.516 -5.694 -7.195 1.00 29.51 ? 167 SER B CA 1 ATOM 2937 C C . SER B 2 169 ? 8.329 -4.531 -8.153 1.00 27.23 ? 167 SER B C 1 ATOM 2938 O O . SER B 2 169 ? 8.819 -4.567 -9.282 1.00 26.76 ? 167 SER B O 1 ATOM 2939 C CB . SER B 2 169 ? 9.897 -5.622 -6.542 1.00 41.46 ? 167 SER B CB 1 ATOM 2940 O OG . SER B 2 169 ? 10.052 -6.637 -5.566 1.00 49.92 ? 167 SER B OG 1 ATOM 2941 N N . GLY B 2 170 ? 7.588 -3.519 -7.719 1.00 27.38 ? 168 GLY B N 1 ATOM 2942 C CA . GLY B 2 170 ? 7.371 -2.343 -8.539 1.00 29.28 ? 168 GLY B CA 1 ATOM 2943 C C . GLY B 2 170 ? 6.065 -2.367 -9.305 1.00 28.25 ? 168 GLY B C 1 ATOM 2944 O O . GLY B 2 170 ? 5.592 -1.322 -9.749 1.00 35.61 ? 168 GLY B O 1 ATOM 2945 N N . GLU B 2 171 ? 5.488 -3.554 -9.474 1.00 23.88 ? 169 GLU B N 1 ATOM 2946 C CA A GLU B 2 171 ? 4.199 -3.711 -10.146 0.54 23.15 ? 169 GLU B CA 1 ATOM 2947 C CA B GLU B 2 171 ? 4.205 -3.671 -10.153 0.46 23.12 ? 169 GLU B CA 1 ATOM 2948 C C . GLU B 2 171 ? 3.052 -3.384 -9.199 1.00 24.97 ? 169 GLU B C 1 ATOM 2949 O O . GLU B 2 171 ? 3.128 -3.674 -8.005 1.00 26.32 ? 169 GLU B O 1 ATOM 2950 C CB A GLU B 2 171 ? 4.022 -5.146 -10.659 0.54 22.92 ? 169 GLU B CB 1 ATOM 2951 C CB B GLU B 2 171 ? 4.048 -5.055 -10.790 0.46 24.08 ? 169 GLU B CB 1 ATOM 2952 C CG A GLU B 2 171 ? 4.951 -5.537 -11.797 0.54 26.04 ? 169 GLU B CG 1 ATOM 2953 C CG B GLU B 2 171 ? 5.015 -5.323 -11.940 0.46 28.67 ? 169 GLU B CG 1 ATOM 2954 C CD A GLU B 2 171 ? 4.743 -6.972 -12.257 0.54 25.96 ? 169 GLU B CD 1 ATOM 2955 C CD B GLU B 2 171 ? 4.737 -4.460 -13.156 0.46 34.49 ? 169 GLU B CD 1 ATOM 2956 O OE1 A GLU B 2 171 ? 4.253 -7.799 -11.457 0.54 25.87 ? 169 GLU B OE1 1 ATOM 2957 O OE1 B GLU B 2 171 ? 4.149 -4.974 -14.131 0.46 36.01 ? 169 GLU B OE1 1 ATOM 2958 O OE2 A GLU B 2 171 ? 5.075 -7.276 -13.422 0.54 25.87 ? 169 GLU B OE2 1 ATOM 2959 O OE2 B GLU B 2 171 ? 5.102 -3.265 -13.145 0.46 38.89 ? 169 GLU B OE2 1 ATOM 2960 N N . VAL B 2 172 ? 1.990 -2.790 -9.736 1.00 20.79 ? 170 VAL B N 1 ATOM 2961 C CA . VAL B 2 172 ? 0.785 -2.554 -8.962 1.00 19.59 ? 170 VAL B CA 1 ATOM 2962 C C . VAL B 2 172 ? -0.332 -3.385 -9.576 1.00 21.07 ? 170 VAL B C 1 ATOM 2963 O O . VAL B 2 172 ? -0.679 -3.208 -10.743 1.00 22.41 ? 170 VAL B O 1 ATOM 2964 C CB . VAL B 2 172 ? 0.369 -1.073 -8.968 1.00 25.44 ? 170 VAL B CB 1 ATOM 2965 C CG1 . VAL B 2 172 ? -0.852 -0.862 -8.069 1.00 25.78 ? 170 VAL B CG1 1 ATOM 2966 C CG2 . VAL B 2 172 ? 1.529 -0.188 -8.524 1.00 27.87 ? 170 VAL B CG2 1 ATOM 2967 N N . TYR B 2 173 ? -0.879 -4.305 -8.793 1.00 18.90 ? 171 TYR B N 1 ATOM 2968 C CA . TYR B 2 173 ? -1.994 -5.119 -9.251 1.00 15.71 ? 171 TYR B CA 1 ATOM 2969 C C . TYR B 2 173 ? -3.293 -4.622 -8.639 1.00 16.63 ? 171 TYR B C 1 ATOM 2970 O O . TYR B 2 173 ? -3.342 -4.292 -7.457 1.00 22.54 ? 171 TYR B O 1 ATOM 2971 C CB . TYR B 2 173 ? -1.777 -6.575 -8.877 1.00 14.75 ? 171 TYR B CB 1 ATOM 2972 C CG . TYR B 2 173 ? -0.661 -7.224 -9.647 1.00 26.04 ? 171 TYR B CG 1 ATOM 2973 C CD1 . TYR B 2 173 ? 0.644 -7.199 -9.176 1.00 27.40 ? 171 TYR B CD1 1 ATOM 2974 C CD2 . TYR B 2 173 ? -0.916 -7.865 -10.851 1.00 32.00 ? 171 TYR B CD2 1 ATOM 2975 C CE1 . TYR B 2 173 ? 1.666 -7.802 -9.890 1.00 27.81 ? 171 TYR B CE1 1 ATOM 2976 C CE2 . TYR B 2 173 ? 0.090 -8.465 -11.566 1.00 33.15 ? 171 TYR B CE2 1 ATOM 2977 C CZ . TYR B 2 173 ? 1.376 -8.433 -11.087 1.00 31.07 ? 171 TYR B CZ 1 ATOM 2978 O OH . TYR B 2 173 ? 2.372 -9.040 -11.818 1.00 41.54 ? 171 TYR B OH 1 ATOM 2979 N N . THR B 2 174 ? -4.343 -4.571 -9.447 1.00 15.33 ? 172 THR B N 1 ATOM 2980 C CA . THR B 2 174 ? -5.634 -4.093 -8.971 1.00 14.20 ? 172 THR B CA 1 ATOM 2981 C C . THR B 2 174 ? -6.742 -5.059 -9.364 1.00 16.58 ? 172 THR B C 1 ATOM 2982 O O . THR B 2 174 ? -6.869 -5.429 -10.532 1.00 14.26 ? 172 THR B O 1 ATOM 2983 C CB . THR B 2 174 ? -5.957 -2.697 -9.540 1.00 15.77 ? 172 THR B CB 1 ATOM 2984 O OG1 . THR B 2 174 ? -4.888 -1.791 -9.234 1.00 23.23 ? 172 THR B OG1 1 ATOM 2985 C CG2 . THR B 2 174 ? -7.251 -2.165 -8.946 1.00 17.10 ? 172 THR B CG2 1 ATOM 2986 N N . CYS B 2 175 ? -7.531 -5.484 -8.382 1.00 12.69 ? 173 CYS B N 1 ATOM 2987 C CA . CYS B 2 175 ? -8.760 -6.205 -8.672 1.00 11.86 ? 173 CYS B CA 1 ATOM 2988 C C . CYS B 2 175 ? -9.891 -5.196 -8.678 1.00 15.21 ? 173 CYS B C 1 ATOM 2989 O O . CYS B 2 175 ? -10.043 -4.436 -7.726 1.00 15.05 ? 173 CYS B O 1 ATOM 2990 C CB . CYS B 2 175 ? -9.037 -7.273 -7.608 1.00 13.78 ? 173 CYS B CB 1 ATOM 2991 S SG . CYS B 2 175 ? -10.524 -8.223 -7.953 1.00 16.28 ? 173 CYS B SG 1 ATOM 2992 N N . GLN B 2 176 ? -10.680 -5.186 -9.747 1.00 11.77 ? 174 GLN B N 1 ATOM 2993 C CA . GLN B 2 176 ? -11.788 -4.244 -9.862 1.00 11.99 ? 174 GLN B CA 1 ATOM 2994 C C . GLN B 2 176 ? -13.119 -4.983 -9.902 1.00 15.58 ? 174 GLN B C 1 ATOM 2995 O O . GLN B 2 176 ? -13.279 -5.944 -10.651 1.00 12.45 ? 174 GLN B O 1 ATOM 2996 C CB . GLN B 2 176 ? -11.629 -3.406 -11.128 1.00 14.38 ? 174 GLN B CB 1 ATOM 2997 C CG . GLN B 2 176 ? -12.765 -2.426 -11.360 1.00 16.01 ? 174 GLN B CG 1 ATOM 2998 C CD . GLN B 2 176 ? -12.769 -1.912 -12.780 1.00 22.34 ? 174 GLN B CD 1 ATOM 2999 O OE1 . GLN B 2 176 ? -13.251 -2.585 -13.693 1.00 29.26 ? 174 GLN B OE1 1 ATOM 3000 N NE2 . GLN B 2 176 ? -12.199 -0.738 -12.983 1.00 20.92 ? 174 GLN B NE2 1 ATOM 3001 N N . VAL B 2 177 ? -14.076 -4.525 -9.100 1.00 12.05 ? 175 VAL B N 1 ATOM 3002 C CA . VAL B 2 177 ? -15.359 -5.209 -8.981 1.00 12.57 ? 175 VAL B CA 1 ATOM 3003 C C . VAL B 2 177 ? -16.513 -4.277 -9.332 1.00 12.45 ? 175 VAL B C 1 ATOM 3004 O O . VAL B 2 177 ? -16.590 -3.164 -8.817 1.00 13.02 ? 175 VAL B O 1 ATOM 3005 C CB . VAL B 2 177 ? -15.556 -5.747 -7.548 1.00 11.16 ? 175 VAL B CB 1 ATOM 3006 C CG1 . VAL B 2 177 ? -16.956 -6.322 -7.382 1.00 13.51 ? 175 VAL B CG1 1 ATOM 3007 C CG2 . VAL B 2 177 ? -14.499 -6.796 -7.231 1.00 17.06 ? 175 VAL B CG2 1 ATOM 3008 N N . GLU B 2 178 ? -17.396 -4.727 -10.222 1.00 10.85 ? 176 GLU B N 1 ATOM 3009 C CA . GLU B 2 178 ? -18.616 -3.985 -10.535 1.00 13.36 ? 176 GLU B CA 1 ATOM 3010 C C . GLU B 2 178 ? -19.812 -4.830 -10.128 1.00 14.09 ? 176 GLU B C 1 ATOM 3011 O O . GLU B 2 178 ? -19.858 -6.031 -10.407 1.00 14.68 ? 176 GLU B O 1 ATOM 3012 C CB . GLU B 2 178 ? -18.683 -3.656 -12.027 1.00 19.22 ? 176 GLU B CB 1 ATOM 3013 C CG . GLU B 2 178 ? -17.616 -2.672 -12.500 1.00 25.18 ? 176 GLU B CG 1 ATOM 3014 C CD . GLU B 2 178 ? -17.351 -2.771 -13.991 1.00 35.50 ? 176 GLU B CD 1 ATOM 3015 O OE1 . GLU B 2 178 ? -17.508 -1.750 -14.691 1.00 39.32 ? 176 GLU B OE1 1 ATOM 3016 O OE2 . GLU B 2 178 ? -16.977 -3.870 -14.461 1.00 38.13 ? 176 GLU B OE2 1 ATOM 3017 N N . HIS B 2 179 ? -20.782 -4.196 -9.475 1.00 13.20 ? 177 HIS B N 1 ATOM 3018 C CA . HIS B 2 179 ? -21.908 -4.905 -8.876 1.00 14.41 ? 177 HIS B CA 1 ATOM 3019 C C . HIS B 2 179 ? -23.057 -3.918 -8.659 1.00 11.92 ? 177 HIS B C 1 ATOM 3020 O O . HIS B 2 179 ? -22.812 -2.739 -8.414 1.00 12.96 ? 177 HIS B O 1 ATOM 3021 C CB . HIS B 2 179 ? -21.470 -5.504 -7.537 1.00 15.52 ? 177 HIS B CB 1 ATOM 3022 C CG . HIS B 2 179 ? -22.520 -6.343 -6.870 1.00 14.45 ? 177 HIS B CG 1 ATOM 3023 N ND1 . HIS B 2 179 ? -23.358 -5.850 -5.899 1.00 13.81 ? 177 HIS B ND1 1 ATOM 3024 C CD2 . HIS B 2 179 ? -22.858 -7.642 -7.044 1.00 11.36 ? 177 HIS B CD2 1 ATOM 3025 C CE1 . HIS B 2 179 ? -24.174 -6.814 -5.495 1.00 13.84 ? 177 HIS B CE1 1 ATOM 3026 N NE2 . HIS B 2 179 ? -23.890 -7.907 -6.175 1.00 11.72 ? 177 HIS B NE2 1 ATOM 3027 N N . PRO B 2 180 ? -24.313 -4.393 -8.743 1.00 11.16 ? 178 PRO B N 1 ATOM 3028 C CA . PRO B 2 180 ? -25.452 -3.466 -8.617 1.00 12.74 ? 178 PRO B CA 1 ATOM 3029 C C . PRO B 2 180 ? -25.516 -2.699 -7.286 1.00 13.62 ? 178 PRO B C 1 ATOM 3030 O O . PRO B 2 180 ? -26.131 -1.631 -7.226 1.00 15.66 ? 178 PRO B O 1 ATOM 3031 C CB . PRO B 2 180 ? -26.667 -4.387 -8.758 1.00 16.75 ? 178 PRO B CB 1 ATOM 3032 C CG . PRO B 2 180 ? -26.175 -5.525 -9.601 1.00 15.95 ? 178 PRO B CG 1 ATOM 3033 C CD . PRO B 2 180 ? -24.742 -5.740 -9.166 1.00 15.72 ? 178 PRO B CD 1 ATOM 3034 N N . SER B 2 181 ? -24.899 -3.229 -6.236 1.00 14.16 ? 179 SER B N 1 ATOM 3035 C CA . SER B 2 181 ? -24.921 -2.551 -4.943 1.00 15.07 ? 179 SER B CA 1 ATOM 3036 C C . SER B 2 181 ? -23.957 -1.366 -4.905 1.00 16.20 ? 179 SER B C 1 ATOM 3037 O O . SER B 2 181 ? -23.993 -0.569 -3.974 1.00 18.86 ? 179 SER B O 1 ATOM 3038 C CB . SER B 2 181 ? -24.549 -3.519 -3.822 1.00 16.15 ? 179 SER B CB 1 ATOM 3039 O OG . SER B 2 181 ? -23.192 -3.901 -3.939 1.00 14.29 ? 179 SER B OG 1 ATOM 3040 N N . LEU B 2 182 ? -23.098 -1.261 -5.914 1.00 15.78 ? 180 LEU B N 1 ATOM 3041 C CA . LEU B 2 182 ? -22.053 -0.238 -5.938 1.00 19.40 ? 180 LEU B CA 1 ATOM 3042 C C . LEU B 2 182 ? -22.390 0.859 -6.941 1.00 21.70 ? 180 LEU B C 1 ATOM 3043 O O . LEU B 2 182 ? -23.002 0.594 -7.973 1.00 26.69 ? 180 LEU B O 1 ATOM 3044 C CB . LEU B 2 182 ? -20.709 -0.872 -6.306 1.00 19.00 ? 180 LEU B CB 1 ATOM 3045 C CG . LEU B 2 182 ? -20.231 -2.065 -5.465 1.00 19.21 ? 180 LEU B CG 1 ATOM 3046 C CD1 . LEU B 2 182 ? -18.985 -2.701 -6.070 1.00 16.33 ? 180 LEU B CD1 1 ATOM 3047 C CD2 . LEU B 2 182 ? -19.957 -1.636 -4.025 1.00 18.61 ? 180 LEU B CD2 1 ATOM 3048 N N . THR B 2 183 ? -21.988 2.090 -6.645 1.00 18.37 ? 181 THR B N 1 ATOM 3049 C CA . THR B 2 183 ? -22.256 3.201 -7.555 1.00 18.16 ? 181 THR B CA 1 ATOM 3050 C C . THR B 2 183 ? -21.051 3.533 -8.433 1.00 20.83 ? 181 THR B C 1 ATOM 3051 O O . THR B 2 183 ? -21.140 4.350 -9.347 1.00 23.99 ? 181 THR B O 1 ATOM 3052 C CB . THR B 2 183 ? -22.704 4.464 -6.794 1.00 22.57 ? 181 THR B CB 1 ATOM 3053 O OG1 . THR B 2 183 ? -21.745 4.776 -5.778 1.00 26.08 ? 181 THR B OG1 1 ATOM 3054 C CG2 . THR B 2 183 ? -24.050 4.228 -6.139 1.00 24.30 ? 181 THR B CG2 1 ATOM 3055 N N . SER B 2 184 ? -19.925 2.893 -8.144 1.00 18.74 ? 182 SER B N 1 ATOM 3056 C CA . SER B 2 184 ? -18.727 3.012 -8.967 1.00 17.55 ? 182 SER B CA 1 ATOM 3057 C C . SER B 2 184 ? -17.902 1.769 -8.689 1.00 18.57 ? 182 SER B C 1 ATOM 3058 O O . SER B 2 184 ? -18.145 1.084 -7.692 1.00 17.73 ? 182 SER B O 1 ATOM 3059 C CB . SER B 2 184 ? -17.947 4.286 -8.620 1.00 24.78 ? 182 SER B CB 1 ATOM 3060 O OG . SER B 2 184 ? -17.449 4.240 -7.298 1.00 28.66 ? 182 SER B OG 1 ATOM 3061 N N . PRO B 2 185 ? -16.947 1.446 -9.574 1.00 20.26 ? 183 PRO B N 1 ATOM 3062 C CA . PRO B 2 185 ? -16.200 0.209 -9.334 1.00 17.00 ? 183 PRO B CA 1 ATOM 3063 C C . PRO B 2 185 ? -15.451 0.212 -8.003 1.00 19.01 ? 183 PRO B C 1 ATOM 3064 O O . PRO B 2 185 ? -14.891 1.230 -7.598 1.00 20.37 ? 183 PRO B O 1 ATOM 3065 C CB . PRO B 2 185 ? -15.195 0.177 -10.494 1.00 21.05 ? 183 PRO B CB 1 ATOM 3066 C CG . PRO B 2 185 ? -15.828 0.993 -11.568 1.00 23.03 ? 183 PRO B CG 1 ATOM 3067 C CD . PRO B 2 185 ? -16.564 2.087 -10.846 1.00 23.54 ? 183 PRO B CD 1 ATOM 3068 N N . LEU B 2 186 ? -15.459 -0.934 -7.332 1.00 17.72 ? 184 LEU B N 1 ATOM 3069 C CA . LEU B 2 186 ? -14.678 -1.134 -6.123 1.00 14.88 ? 184 LEU B CA 1 ATOM 3070 C C . LEU B 2 186 ? -13.316 -1.686 -6.524 1.00 14.25 ? 184 LEU B C 1 ATOM 3071 O O . LEU B 2 186 ? -13.235 -2.698 -7.215 1.00 15.54 ? 184 LEU B O 1 ATOM 3072 C CB . LEU B 2 186 ? -15.401 -2.123 -5.213 1.00 17.75 ? 184 LEU B CB 1 ATOM 3073 C CG . LEU B 2 186 ? -14.775 -2.527 -3.880 1.00 26.00 ? 184 LEU B CG 1 ATOM 3074 C CD1 . LEU B 2 186 ? -14.475 -1.303 -3.036 1.00 32.76 ? 184 LEU B CD1 1 ATOM 3075 C CD2 . LEU B 2 186 ? -15.722 -3.465 -3.138 1.00 24.68 ? 184 LEU B CD2 1 ATOM 3076 N N . THR B 2 187 ? -12.251 -1.017 -6.104 1.00 14.82 ? 185 THR B N 1 ATOM 3077 C CA . THR B 2 187 ? -10.913 -1.465 -6.465 1.00 16.32 ? 185 THR B CA 1 ATOM 3078 C C . THR B 2 187 ? -10.076 -1.786 -5.238 1.00 18.87 ? 185 THR B C 1 ATOM 3079 O O . THR B 2 187 ? -10.110 -1.063 -4.243 1.00 20.61 ? 185 THR B O 1 ATOM 3080 C CB . THR B 2 187 ? -10.176 -0.426 -7.326 1.00 17.97 ? 185 THR B CB 1 ATOM 3081 O OG1 . THR B 2 187 ? -10.078 0.809 -6.611 1.00 21.25 ? 185 THR B OG1 1 ATOM 3082 C CG2 . THR B 2 187 ? -10.917 -0.198 -8.632 1.00 23.89 ? 185 THR B CG2 1 ATOM 3083 N N . VAL B 2 188 ? -9.330 -2.884 -5.315 1.00 16.24 ? 186 VAL B N 1 ATOM 3084 C CA . VAL B 2 188 ? -8.365 -3.227 -4.280 1.00 14.26 ? 186 VAL B CA 1 ATOM 3085 C C . VAL B 2 188 ? -7.003 -3.402 -4.926 1.00 15.49 ? 186 VAL B C 1 ATOM 3086 O O . VAL B 2 188 ? -6.848 -4.212 -5.834 1.00 17.39 ? 186 VAL B O 1 ATOM 3087 C CB . VAL B 2 188 ? -8.744 -4.522 -3.545 1.00 16.46 ? 186 VAL B CB 1 ATOM 3088 C CG1 . VAL B 2 188 ? -7.615 -4.956 -2.612 1.00 17.00 ? 186 VAL B CG1 1 ATOM 3089 C CG2 . VAL B 2 188 ? -10.029 -4.330 -2.780 1.00 17.54 ? 186 VAL B CG2 1 ATOM 3090 N N . GLU B 2 189 ? -6.029 -2.625 -4.466 1.00 15.97 ? 187 GLU B N 1 ATOM 3091 C CA . GLU B 2 189 ? -4.671 -2.699 -4.988 1.00 18.21 ? 187 GLU B CA 1 ATOM 3092 C C . GLU B 2 189 ? -3.818 -3.652 -4.163 1.00 20.95 ? 187 GLU B C 1 ATOM 3093 O O . GLU B 2 189 ? -4.028 -3.814 -2.960 1.00 21.45 ? 187 GLU B O 1 ATOM 3094 C CB . GLU B 2 189 ? -4.013 -1.317 -4.991 1.00 18.83 ? 187 GLU B CB 1 ATOM 3095 C CG . GLU B 2 189 ? -4.560 -0.355 -6.030 1.00 25.52 ? 187 GLU B CG 1 ATOM 3096 C CD . GLU B 2 189 ? -3.791 0.958 -6.066 1.00 31.20 ? 187 GLU B CD 1 ATOM 3097 O OE1 . GLU B 2 189 ? -3.933 1.705 -7.056 1.00 33.84 ? 187 GLU B OE1 1 ATOM 3098 O OE2 . GLU B 2 189 ? -3.046 1.243 -5.106 1.00 35.71 ? 187 GLU B OE2 1 ATOM 3099 N N . TRP B 2 190 ? -2.844 -4.271 -4.815 1.00 16.55 ? 188 TRP B N 1 ATOM 3100 C CA . TRP B 2 190 ? -1.929 -5.169 -4.132 1.00 20.26 ? 188 TRP B CA 1 ATOM 3101 C C . TRP B 2 190 ? -0.538 -5.007 -4.728 1.00 20.44 ? 188 TRP B C 1 ATOM 3102 O O . TRP B 2 190 ? -0.395 -4.910 -5.947 1.00 18.82 ? 188 TRP B O 1 ATOM 3103 C CB . TRP B 2 190 ? -2.414 -6.619 -4.268 1.00 18.60 ? 188 TRP B CB 1 ATOM 3104 C CG . TRP B 2 190 ? -1.555 -7.601 -3.528 1.00 18.78 ? 188 TRP B CG 1 ATOM 3105 C CD1 . TRP B 2 190 ? -1.740 -8.056 -2.253 1.00 22.48 ? 188 TRP B CD1 1 ATOM 3106 C CD2 . TRP B 2 190 ? -0.366 -8.233 -4.010 1.00 20.14 ? 188 TRP B CD2 1 ATOM 3107 N NE1 . TRP B 2 190 ? -0.737 -8.938 -1.914 1.00 22.90 ? 188 TRP B NE1 1 ATOM 3108 C CE2 . TRP B 2 190 ? 0.121 -9.059 -2.975 1.00 21.06 ? 188 TRP B CE2 1 ATOM 3109 C CE3 . TRP B 2 190 ? 0.338 -8.180 -5.218 1.00 19.98 ? 188 TRP B CE3 1 ATOM 3110 C CZ2 . TRP B 2 190 ? 1.272 -9.829 -3.114 1.00 20.12 ? 188 TRP B CZ2 1 ATOM 3111 C CZ3 . TRP B 2 190 ? 1.485 -8.940 -5.350 1.00 19.35 ? 188 TRP B CZ3 1 ATOM 3112 C CH2 . TRP B 2 190 ? 1.938 -9.754 -4.306 1.00 18.78 ? 188 TRP B CH2 1 ATOM 3113 N N . ARG B 2 191 ? 0.483 -4.966 -3.871 1.00 18.20 ? 189 ARG B N 1 ATOM 3114 C CA . ARG B 2 191 ? 1.868 -4.842 -4.321 1.00 19.07 ? 189 ARG B CA 1 ATOM 3115 C C . ARG B 2 191 ? 2.742 -5.923 -3.682 1.00 20.84 ? 189 ARG B C 1 ATOM 3116 O O . ARG B 2 191 ? 2.527 -6.301 -2.533 1.00 23.71 ? 189 ARG B O 1 ATOM 3117 C CB . ARG B 2 191 ? 2.435 -3.467 -3.958 1.00 22.42 ? 189 ARG B CB 1 ATOM 3118 C CG . ARG B 2 191 ? 1.727 -2.286 -4.599 1.00 22.83 ? 189 ARG B CG 1 ATOM 3119 C CD . ARG B 2 191 ? 2.051 -1.001 -3.847 1.00 27.49 ? 189 ARG B CD 1 ATOM 3120 N NE . ARG B 2 191 ? 1.700 0.196 -4.606 1.00 29.21 ? 189 ARG B NE 1 ATOM 3121 C CZ . ARG B 2 191 ? 0.465 0.675 -4.733 1.00 30.90 ? 189 ARG B CZ 1 ATOM 3122 N NH1 . ARG B 2 191 ? -0.558 0.056 -4.155 1.00 29.38 ? 189 ARG B NH1 1 ATOM 3123 N NH2 . ARG B 2 191 ? 0.251 1.774 -5.443 1.00 32.48 ? 189 ARG B NH2 1 ATOM 3124 N N . ALA B 2 192 ? 3.727 -6.415 -4.424 1.00 22.96 ? 190 ALA B N 1 ATOM 3125 C CA . ALA B 2 192 ? 4.601 -7.467 -3.909 1.00 24.41 ? 190 ALA B CA 1 ATOM 3126 C C . ALA B 2 192 ? 5.417 -7.020 -2.692 1.00 30.51 ? 190 ALA B C 1 ATOM 3127 O O . ALA B 2 192 ? 5.705 -7.822 -1.803 1.00 34.12 ? 190 ALA B O 1 ATOM 3128 C CB . ALA B 2 192 ? 5.516 -7.983 -5.004 1.00 26.16 ? 190 ALA B CB 1 ATOM 3129 N N . THR B 2 193 ? 5.790 -5.744 -2.651 1.00 27.04 ? 191 THR B N 1 ATOM 3130 C CA . THR B 2 193 ? 6.550 -5.222 -1.517 1.00 34.71 ? 191 THR B CA 1 ATOM 3131 C C . THR B 2 193 ? 5.711 -4.307 -0.620 1.00 36.75 ? 191 THR B C 1 ATOM 3132 O O . THR B 2 193 ? 6.249 -3.468 0.104 1.00 38.65 ? 191 THR B O 1 ATOM 3133 C CB . THR B 2 193 ? 7.820 -4.473 -1.976 1.00 38.57 ? 191 THR B CB 1 ATOM 3134 O OG1 . THR B 2 193 ? 7.454 -3.366 -2.811 1.00 41.27 ? 191 THR B OG1 1 ATOM 3135 C CG2 . THR B 2 193 ? 8.741 -5.409 -2.751 1.00 37.67 ? 191 THR B CG2 1 ATOM 3136 N N . GLY B 2 194 ? 4.394 -4.479 -0.668 1.00 35.61 ? 192 GLY B N 1 ATOM 3137 C CA . GLY B 2 194 ? 3.492 -3.697 0.158 1.00 37.65 ? 192 GLY B CA 1 ATOM 3138 C C . GLY B 2 194 ? 3.563 -4.093 1.621 1.00 43.02 ? 192 GLY B C 1 ATOM 3139 O O . GLY B 2 194 ? 3.633 -3.236 2.506 1.00 47.99 ? 192 GLY B O 1 ATOM 3140 N N . SER C 3 1 ? -47.833 -7.924 4.565 1.00 32.83 ? 1 SER C N 1 ATOM 3141 C CA . SER C 3 1 ? -48.785 -8.546 3.651 1.00 29.01 ? 1 SER C CA 1 ATOM 3142 C C . SER C 3 1 ? -48.598 -10.058 3.580 1.00 25.92 ? 1 SER C C 1 ATOM 3143 O O . SER C 3 1 ? -47.539 -10.587 3.926 1.00 23.85 ? 1 SER C O 1 ATOM 3144 C CB . SER C 3 1 ? -48.669 -7.932 2.257 1.00 31.87 ? 1 SER C CB 1 ATOM 3145 O OG . SER C 3 1 ? -48.912 -6.538 2.300 1.00 41.58 ? 1 SER C OG 1 ATOM 3146 N N . ALA C 3 2 ? -49.633 -10.748 3.110 1.00 24.46 ? 2 ALA C N 1 ATOM 3147 C CA . ALA C 3 2 ? -49.646 -12.202 3.107 1.00 21.08 ? 2 ALA C CA 1 ATOM 3148 C C . ALA C 3 2 ? -49.314 -12.785 1.739 1.00 19.36 ? 2 ALA C C 1 ATOM 3149 O O . ALA C 3 2 ? -49.917 -12.428 0.728 1.00 20.97 ? 2 ALA C O 1 ATOM 3150 C CB . ALA C 3 2 ? -51.001 -12.711 3.584 1.00 26.28 ? 2 ALA C CB 1 ATOM 3151 N N . VAL C 3 3 ? -48.347 -13.692 1.715 1.00 18.06 ? 3 VAL C N 1 ATOM 3152 C CA . VAL C 3 3 ? -48.031 -14.428 0.502 1.00 16.51 ? 3 VAL C CA 1 ATOM 3153 C C . VAL C 3 3 ? -49.177 -15.400 0.220 1.00 20.38 ? 3 VAL C C 1 ATOM 3154 O O . VAL C 3 3 ? -49.677 -16.051 1.135 1.00 20.78 ? 3 VAL C O 1 ATOM 3155 C CB . VAL C 3 3 ? -46.701 -15.192 0.663 1.00 16.17 ? 3 VAL C CB 1 ATOM 3156 C CG1 . VAL C 3 3 ? -46.465 -16.146 -0.505 1.00 16.65 ? 3 VAL C CG1 1 ATOM 3157 C CG2 . VAL C 3 3 ? -45.550 -14.208 0.780 1.00 18.97 ? 3 VAL C CG2 1 ATOM 3158 N N . ARG C 3 4 ? -49.606 -15.476 -1.037 1.00 14.91 ? 4 ARG C N 1 ATOM 3159 C CA . ARG C 3 4 ? -50.664 -16.401 -1.436 1.00 15.77 ? 4 ARG C CA 1 ATOM 3160 C C . ARG C 3 4 ? -50.098 -17.671 -2.044 1.00 16.31 ? 4 ARG C C 1 ATOM 3161 O O . ARG C 3 4 ? -49.170 -17.619 -2.849 1.00 17.44 ? 4 ARG C O 1 ATOM 3162 C CB . ARG C 3 4 ? -51.599 -15.742 -2.449 1.00 16.67 ? 4 ARG C CB 1 ATOM 3163 C CG . ARG C 3 4 ? -52.441 -14.626 -1.868 1.00 18.48 ? 4 ARG C CG 1 ATOM 3164 C CD . ARG C 3 4 ? -53.269 -13.956 -2.949 1.00 17.43 ? 4 ARG C CD 1 ATOM 3165 N NE . ARG C 3 4 ? -54.035 -12.828 -2.429 1.00 22.30 ? 4 ARG C NE 1 ATOM 3166 C CZ . ARG C 3 4 ? -54.694 -11.965 -3.192 1.00 25.88 ? 4 ARG C CZ 1 ATOM 3167 N NH1 . ARG C 3 4 ? -55.373 -10.971 -2.635 1.00 26.40 ? 4 ARG C NH1 1 ATOM 3168 N NH2 . ARG C 3 4 ? -54.673 -12.098 -4.512 1.00 20.63 ? 4 ARG C NH2 1 ATOM 3169 N N . LEU C 3 5 ? -50.658 -18.814 -1.659 1.00 16.93 ? 5 LEU C N 1 ATOM 3170 C CA . LEU C 3 5 ? -50.284 -20.061 -2.305 1.00 18.54 ? 5 LEU C CA 1 ATOM 3171 C C . LEU C 3 5 ? -51.145 -20.298 -3.529 1.00 17.90 ? 5 LEU C C 1 ATOM 3172 O O . LEU C 3 5 ? -52.297 -19.853 -3.597 1.00 19.24 ? 5 LEU C O 1 ATOM 3173 C CB . LEU C 3 5 ? -50.366 -21.261 -1.345 1.00 21.92 ? 5 LEU C CB 1 ATOM 3174 C CG . LEU C 3 5 ? -51.677 -21.720 -0.693 1.00 25.37 ? 5 LEU C CG 1 ATOM 3175 C CD1 . LEU C 3 5 ? -52.624 -22.437 -1.656 1.00 28.40 ? 5 LEU C CD1 1 ATOM 3176 C CD2 . LEU C 3 5 ? -51.354 -22.637 0.466 1.00 28.52 ? 5 LEU C CD2 1 ATOM 3177 N N . ARG C 3 6 ? -50.576 -21.014 -4.487 1.00 13.54 ? 6 ARG C N 1 ATOM 3178 C CA . ARG C 3 6 ? -51.323 -21.508 -5.627 1.00 12.91 ? 6 ARG C CA 1 ATOM 3179 C C . ARG C 3 6 ? -51.642 -22.967 -5.338 1.00 13.59 ? 6 ARG C C 1 ATOM 3180 O O . ARG C 3 6 ? -50.758 -23.740 -4.970 1.00 15.43 ? 6 ARG C O 1 ATOM 3181 C CB . ARG C 3 6 ? -50.469 -21.406 -6.895 1.00 14.32 ? 6 ARG C CB 1 ATOM 3182 C CG . ARG C 3 6 ? -51.206 -21.780 -8.172 1.00 16.95 ? 6 ARG C CG 1 ATOM 3183 C CD . ARG C 3 6 ? -51.697 -20.553 -8.923 1.00 17.86 ? 6 ARG C CD 1 ATOM 3184 N NE . ARG C 3 6 ? -52.897 -19.957 -8.339 1.00 17.78 ? 6 ARG C NE 1 ATOM 3185 C CZ . ARG C 3 6 ? -54.137 -20.292 -8.684 1.00 24.51 ? 6 ARG C CZ 1 ATOM 3186 N NH1 . ARG C 3 6 ? -54.338 -21.235 -9.597 1.00 25.09 ? 6 ARG C NH1 1 ATOM 3187 N NH2 . ARG C 3 6 ? -55.177 -19.690 -8.116 1.00 23.21 ? 6 ARG C NH2 1 ATOM 3188 N N . SER C 3 7 ? -52.895 -23.356 -5.508 1.00 15.68 ? 7 SER C N 1 ATOM 3189 C CA A SER C 3 7 ? -53.296 -24.734 -5.259 0.56 16.40 ? 7 SER C CA 1 ATOM 3190 C CA B SER C 3 7 ? -53.269 -24.736 -5.245 0.44 16.09 ? 7 SER C CA 1 ATOM 3191 C C . SER C 3 7 ? -52.737 -25.675 -6.323 1.00 16.63 ? 7 SER C C 1 ATOM 3192 O O . SER C 3 7 ? -52.500 -25.271 -7.464 1.00 16.47 ? 7 SER C O 1 ATOM 3193 C CB A SER C 3 7 ? -54.822 -24.849 -5.213 0.56 19.30 ? 7 SER C CB 1 ATOM 3194 C CB B SER C 3 7 ? -54.786 -24.872 -5.097 0.44 18.66 ? 7 SER C CB 1 ATOM 3195 O OG A SER C 3 7 ? -55.386 -24.666 -6.502 0.56 16.33 ? 7 SER C OG 1 ATOM 3196 O OG B SER C 3 7 ? -55.231 -24.237 -3.911 0.44 21.22 ? 7 SER C OG 1 ATOM 3197 N N . SER C 3 8 ? -52.520 -26.925 -5.938 1.00 13.16 ? 8 SER C N 1 ATOM 3198 C CA . SER C 3 8 ? -52.128 -27.961 -6.876 1.00 10.99 ? 8 SER C CA 1 ATOM 3199 C C . SER C 3 8 ? -53.410 -28.683 -7.277 1.00 15.40 ? 8 SER C C 1 ATOM 3200 O O . SER C 3 8 ? -54.247 -28.986 -6.429 1.00 15.54 ? 8 SER C O 1 ATOM 3201 C CB . SER C 3 8 ? -51.120 -28.910 -6.227 1.00 13.98 ? 8 SER C CB 1 ATOM 3202 O OG . SER C 3 8 ? -49.914 -28.203 -5.938 1.00 14.10 ? 8 SER C OG 1 ATOM 3203 N N . VAL C 3 9 ? -53.579 -28.920 -8.572 1.00 12.78 ? 9 VAL C N 1 ATOM 3204 C CA . VAL C 3 9 ? -54.828 -29.466 -9.090 1.00 12.48 ? 9 VAL C CA 1 ATOM 3205 C C . VAL C 3 9 ? -54.853 -30.989 -8.965 1.00 13.34 ? 9 VAL C C 1 ATOM 3206 O O . VAL C 3 9 ? -53.878 -31.653 -9.306 1.00 15.42 ? 9 VAL C O 1 ATOM 3207 C CB . VAL C 3 9 ? -55.026 -29.058 -10.566 1.00 13.32 ? 9 VAL C CB 1 ATOM 3208 C CG1 . VAL C 3 9 ? -56.381 -29.515 -11.064 1.00 13.53 ? 9 VAL C CG1 1 ATOM 3209 C CG2 . VAL C 3 9 ? -54.894 -27.548 -10.720 1.00 16.47 ? 9 VAL C CG2 1 ATOM 3210 N N . PRO C 3 10 ? -55.967 -31.546 -8.461 1.00 12.84 ? 10 PRO C N 1 ATOM 3211 C CA . PRO C 3 10 ? -56.084 -33.007 -8.372 1.00 13.01 ? 10 PRO C CA 1 ATOM 3212 C C . PRO C 3 10 ? -56.207 -33.648 -9.750 1.00 13.41 ? 10 PRO C C 1 ATOM 3213 O O . PRO C 3 10 ? -57.009 -33.207 -10.579 1.00 14.15 ? 10 PRO C O 1 ATOM 3214 C CB . PRO C 3 10 ? -57.367 -33.216 -7.556 1.00 16.55 ? 10 PRO C CB 1 ATOM 3215 C CG . PRO C 3 10 ? -58.129 -31.948 -7.695 1.00 23.28 ? 10 PRO C CG 1 ATOM 3216 C CD . PRO C 3 10 ? -57.113 -30.855 -7.843 1.00 17.50 ? 10 PRO C CD 1 ATOM 3217 N N . GLY C 3 11 ? -55.415 -34.688 -9.989 1.00 14.93 ? 11 GLY C N 1 ATOM 3218 C CA . GLY C 3 11 ? -55.411 -35.360 -11.277 1.00 14.91 ? 11 GLY C CA 1 ATOM 3219 C C . GLY C 3 11 ? -56.552 -36.344 -11.437 1.00 18.36 ? 11 GLY C C 1 ATOM 3220 O O . GLY C 3 11 ? -57.306 -36.605 -10.495 1.00 17.40 ? 11 GLY C O 1 ATOM 3221 N N . VAL C 3 12 ? -56.677 -36.890 -12.642 1.00 16.32 ? 12 VAL C N 1 ATOM 3222 C CA . VAL C 3 12 ? -57.712 -37.867 -12.952 1.00 19.33 ? 12 VAL C CA 1 ATOM 3223 C C . VAL C 3 12 ? -57.349 -39.252 -12.450 1.00 24.19 ? 12 VAL C C 1 ATOM 3224 O O . VAL C 3 12 ? -56.290 -39.782 -12.788 1.00 23.96 ? 12 VAL C O 1 ATOM 3225 C CB . VAL C 3 12 ? -57.923 -37.973 -14.465 1.00 23.29 ? 12 VAL C CB 1 ATOM 3226 C CG1 . VAL C 3 12 ? -59.122 -38.860 -14.773 1.00 26.90 ? 12 VAL C CG1 1 ATOM 3227 C CG2 . VAL C 3 12 ? -58.109 -36.607 -15.043 1.00 23.29 ? 12 VAL C CG2 1 ATOM 3228 N N . ARG C 3 13 ? -58.233 -39.839 -11.648 1.00 21.54 ? 13 ARG C N 1 ATOM 3229 C CA . ARG C 3 13 ? -58.018 -41.184 -11.126 1.00 33.09 ? 13 ARG C CA 1 ATOM 3230 C C . ARG C 3 13 ? -58.043 -42.221 -12.243 1.00 35.62 ? 13 ARG C C 1 ATOM 3231 O O . ARG C 3 13 ? -59.027 -42.332 -12.971 1.00 35.80 ? 13 ARG C O 1 ATOM 3232 C CB . ARG C 3 13 ? -59.081 -41.533 -10.081 1.00 39.42 ? 13 ARG C CB 1 ATOM 3233 C CG . ARG C 3 13 ? -58.750 -41.084 -8.669 1.00 44.50 ? 13 ARG C CG 1 ATOM 3234 C CD . ARG C 3 13 ? -59.820 -41.548 -7.687 1.00 51.53 ? 13 ARG C CD 1 ATOM 3235 N NE . ARG C 3 13 ? -59.244 -42.087 -6.457 1.00 58.31 ? 13 ARG C NE 1 ATOM 3236 C CZ . ARG C 3 13 ? -59.030 -43.381 -6.236 1.00 64.59 ? 13 ARG C CZ 1 ATOM 3237 N NH1 . ARG C 3 13 ? -58.500 -43.781 -5.087 1.00 66.08 ? 13 ARG C NH1 1 ATOM 3238 N NH2 . ARG C 3 13 ? -59.350 -44.277 -7.161 1.00 66.87 ? 13 ARG C NH2 1 HETATM 3239 C C1 . NAG D 4 . ? -48.145 -49.244 -18.731 1.00 40.50 ? 500 NAG A C1 1 HETATM 3240 C C2 . NAG D 4 . ? -47.729 -48.345 -19.891 1.00 47.53 ? 500 NAG A C2 1 HETATM 3241 C C3 . NAG D 4 . ? -48.882 -48.183 -20.869 1.00 52.57 ? 500 NAG A C3 1 HETATM 3242 C C4 . NAG D 4 . ? -49.387 -49.551 -21.307 1.00 52.53 ? 500 NAG A C4 1 HETATM 3243 C C5 . NAG D 4 . ? -49.666 -50.459 -20.112 1.00 51.08 ? 500 NAG A C5 1 HETATM 3244 C C6 . NAG D 4 . ? -49.952 -51.875 -20.595 1.00 51.98 ? 500 NAG A C6 1 HETATM 3245 C C7 . NAG D 4 . ? -46.069 -46.567 -19.695 1.00 51.68 ? 500 NAG A C7 1 HETATM 3246 C C8 . NAG D 4 . ? -45.269 -47.279 -20.746 1.00 51.56 ? 500 NAG A C8 1 HETATM 3247 N N2 . NAG D 4 . ? -47.283 -47.046 -19.421 1.00 48.86 ? 500 NAG A N2 1 HETATM 3248 O O3 . NAG D 4 . ? -48.442 -47.456 -21.996 1.00 55.44 ? 500 NAG A O3 1 HETATM 3249 O O4 . NAG D 4 . ? -50.567 -49.393 -22.065 1.00 52.89 ? 500 NAG A O4 1 HETATM 3250 O O5 . NAG D 4 . ? -48.571 -50.502 -19.215 1.00 45.42 ? 500 NAG A O5 1 HETATM 3251 O O6 . NAG D 4 . ? -48.865 -52.317 -21.379 1.00 53.43 ? 500 NAG A O6 1 HETATM 3252 O O7 . NAG D 4 . ? -45.600 -45.582 -19.125 1.00 55.25 ? 500 NAG A O7 1 HETATM 3253 C C1 . NAG E 4 . ? -29.797 -42.405 6.569 1.00 31.77 ? 501 NAG A C1 1 HETATM 3254 C C2 . NAG E 4 . ? -30.099 -43.323 5.389 1.00 35.90 ? 501 NAG A C2 1 HETATM 3255 C C3 . NAG E 4 . ? -31.289 -44.238 5.675 1.00 44.50 ? 501 NAG A C3 1 HETATM 3256 C C4 . NAG E 4 . ? -31.314 -44.856 7.072 1.00 52.13 ? 501 NAG A C4 1 HETATM 3257 C C5 . NAG E 4 . ? -30.679 -43.971 8.151 1.00 48.48 ? 501 NAG A C5 1 HETATM 3258 C C6 . NAG E 4 . ? -30.193 -44.819 9.323 1.00 50.74 ? 501 NAG A C6 1 HETATM 3259 C C7 . NAG E 4 . ? -29.657 -42.479 3.132 1.00 32.47 ? 501 NAG A C7 1 HETATM 3260 C C8 . NAG E 4 . ? -28.396 -43.288 3.141 1.00 25.96 ? 501 NAG A C8 1 HETATM 3261 N N2 . NAG E 4 . ? -30.421 -42.529 4.221 1.00 33.62 ? 501 NAG A N2 1 HETATM 3262 O O3 . NAG E 4 . ? -31.359 -45.263 4.702 1.00 44.57 ? 501 NAG A O3 1 HETATM 3263 O O4 . NAG E 4 . ? -32.697 -44.986 7.334 1.00 62.32 ? 501 NAG A O4 1 HETATM 3264 O O5 . NAG E 4 . ? -29.568 -43.217 7.700 1.00 41.86 ? 501 NAG A O5 1 HETATM 3265 O O6 . NAG E 4 . ? -29.378 -45.864 8.833 1.00 51.61 ? 501 NAG A O6 1 HETATM 3266 O O7 . NAG E 4 . ? -29.957 -41.792 2.152 1.00 36.40 ? 501 NAG A O7 1 HETATM 3267 C C1 . NAG F 4 . ? -33.177 -46.151 8.054 1.00 69.20 ? 502 NAG A C1 1 HETATM 3268 C C2 . NAG F 4 . ? -32.452 -47.487 7.862 1.00 71.52 ? 502 NAG A C2 1 HETATM 3269 C C3 . NAG F 4 . ? -33.270 -48.564 8.586 1.00 73.43 ? 502 NAG A C3 1 HETATM 3270 C C4 . NAG F 4 . ? -33.621 -48.165 10.019 1.00 74.59 ? 502 NAG A C4 1 HETATM 3271 C C5 . NAG F 4 . ? -34.137 -46.732 10.100 1.00 73.94 ? 502 NAG A C5 1 HETATM 3272 C C6 . NAG F 4 . ? -34.286 -46.264 11.543 1.00 72.62 ? 502 NAG A C6 1 HETATM 3273 C C7 . NAG F 4 . ? -31.709 -48.944 6.050 1.00 71.82 ? 502 NAG A C7 1 HETATM 3274 C C8 . NAG F 4 . ? -30.208 -48.945 6.061 1.00 72.71 ? 502 NAG A C8 1 HETATM 3275 N N2 . NAG F 4 . ? -32.314 -47.828 6.457 1.00 71.95 ? 502 NAG A N2 1 HETATM 3276 O O3 . NAG F 4 . ? -32.587 -49.799 8.636 1.00 73.64 ? 502 NAG A O3 1 HETATM 3277 O O4 . NAG F 4 . ? -34.607 -49.043 10.514 1.00 75.30 ? 502 NAG A O4 1 HETATM 3278 O O5 . NAG F 4 . ? -33.241 -45.874 9.435 1.00 72.64 ? 502 NAG A O5 1 HETATM 3279 O O6 . NAG F 4 . ? -34.587 -44.885 11.555 1.00 69.90 ? 502 NAG A O6 1 HETATM 3280 O O7 . NAG F 4 . ? -32.326 -49.944 5.687 1.00 70.65 ? 502 NAG A O7 1 HETATM 3281 C C1 . NAG G 4 . ? -40.856 -1.199 -18.836 1.00 57.47 ? 500 NAG B C1 1 HETATM 3282 C C2 . NAG G 4 . ? -41.598 -1.082 -20.165 1.00 65.41 ? 500 NAG B C2 1 HETATM 3283 C C3 . NAG G 4 . ? -41.490 0.341 -20.691 1.00 67.66 ? 500 NAG B C3 1 HETATM 3284 C C4 . NAG G 4 . ? -42.084 1.281 -19.655 1.00 68.06 ? 500 NAG B C4 1 HETATM 3285 C C5 . NAG G 4 . ? -41.441 1.077 -18.284 1.00 66.47 ? 500 NAG B C5 1 HETATM 3286 C C6 . NAG G 4 . ? -42.245 1.824 -17.229 1.00 64.78 ? 500 NAG B C6 1 HETATM 3287 C C7 . NAG G 4 . ? -41.877 -3.054 -21.542 1.00 70.33 ? 500 NAG B C7 1 HETATM 3288 C C8 . NAG G 4 . ? -41.843 -3.383 -23.006 1.00 70.47 ? 500 NAG B C8 1 HETATM 3289 N N2 . NAG G 4 . ? -41.109 -2.042 -21.138 1.00 69.44 ? 500 NAG B N2 1 HETATM 3290 O O3 . NAG G 4 . ? -42.186 0.474 -21.911 1.00 68.64 ? 500 NAG B O3 1 HETATM 3291 O O4 . NAG G 4 . ? -41.908 2.618 -20.071 1.00 69.64 ? 500 NAG B O4 1 HETATM 3292 O O5 . NAG G 4 . ? -41.392 -0.286 -17.897 1.00 64.12 ? 500 NAG B O5 1 HETATM 3293 O O6 . NAG G 4 . ? -43.545 1.276 -17.178 1.00 62.06 ? 500 NAG B O6 1 HETATM 3294 O O7 . NAG G 4 . ? -42.590 -3.700 -20.772 1.00 67.64 ? 500 NAG B O7 1 HETATM 3295 C C1 . EDO H 5 . ? -54.340 -16.561 -5.984 1.00 33.51 ? 101 EDO C C1 1 HETATM 3296 O O1 . EDO H 5 . ? -54.330 -17.162 -7.284 1.00 28.23 ? 101 EDO C O1 1 HETATM 3297 C C2 . EDO H 5 . ? -54.185 -17.655 -4.936 1.00 35.80 ? 101 EDO C C2 1 HETATM 3298 O O2 . EDO H 5 . ? -53.174 -18.571 -5.375 1.00 34.99 ? 101 EDO C O2 1 HETATM 3299 O O . HOH I 6 . ? -49.393 -32.971 -7.652 1.00 14.34 ? 601 HOH A O 1 HETATM 3300 O O . HOH I 6 . ? -36.456 -29.832 -8.265 1.00 11.02 ? 602 HOH A O 1 HETATM 3301 O O . HOH I 6 . ? -35.941 -45.926 -6.786 1.00 15.34 ? 603 HOH A O 1 HETATM 3302 O O . HOH I 6 . ? -27.290 -17.910 -1.742 1.00 15.98 ? 604 HOH A O 1 HETATM 3303 O O . HOH I 6 . ? -36.226 -21.177 5.689 1.00 17.36 ? 605 HOH A O 1 HETATM 3304 O O . HOH I 6 . ? -19.264 -15.283 0.979 1.00 13.39 ? 606 HOH A O 1 HETATM 3305 O O . HOH I 6 . ? -41.351 -27.907 3.574 1.00 14.98 ? 607 HOH A O 1 HETATM 3306 O O . HOH I 6 . ? -32.022 -22.208 1.786 1.00 13.95 ? 608 HOH A O 1 HETATM 3307 O O . HOH I 6 . ? -34.098 -24.147 4.653 1.00 15.76 ? 609 HOH A O 1 HETATM 3308 O O . HOH I 6 . ? -21.218 -29.425 -5.012 1.00 15.20 ? 610 HOH A O 1 HETATM 3309 O O . HOH I 6 . ? -12.735 -34.908 10.121 1.00 15.11 ? 611 HOH A O 1 HETATM 3310 O O . HOH I 6 . ? -37.033 -19.045 -8.833 1.00 16.77 ? 612 HOH A O 1 HETATM 3311 O O . HOH I 6 . ? -46.123 -44.065 -5.055 1.00 15.73 ? 613 HOH A O 1 HETATM 3312 O O . HOH I 6 . ? -33.155 -36.626 4.124 1.00 16.76 ? 614 HOH A O 1 HETATM 3313 O O . HOH I 6 . ? -30.865 -41.001 -1.011 1.00 16.27 ? 615 HOH A O 1 HETATM 3314 O O . HOH I 6 . ? -37.090 -25.636 -15.193 1.00 19.98 ? 616 HOH A O 1 HETATM 3315 O O . HOH I 6 . ? -11.321 -16.850 9.155 1.00 19.12 ? 617 HOH A O 1 HETATM 3316 O O . HOH I 6 . ? -31.761 -11.732 -7.795 1.00 14.90 ? 618 HOH A O 1 HETATM 3317 O O . HOH I 6 . ? -10.932 -25.613 13.773 1.00 25.77 ? 619 HOH A O 1 HETATM 3318 O O . HOH I 6 . ? -25.286 -35.351 -10.390 1.00 19.86 ? 620 HOH A O 1 HETATM 3319 O O . HOH I 6 . ? -14.702 -29.686 -1.853 1.00 22.01 ? 621 HOH A O 1 HETATM 3320 O O . HOH I 6 . ? -30.815 -25.925 10.621 1.00 24.19 ? 622 HOH A O 1 HETATM 3321 O O . HOH I 6 . ? -34.374 -44.686 -4.904 1.00 18.41 ? 623 HOH A O 1 HETATM 3322 O O . HOH I 6 . ? -23.040 -33.092 11.763 1.00 24.44 ? 624 HOH A O 1 HETATM 3323 O O . HOH I 6 . ? -30.575 -26.964 -13.200 1.00 20.04 ? 625 HOH A O 1 HETATM 3324 O O . HOH I 6 . ? -18.509 -34.714 -5.562 1.00 23.23 ? 626 HOH A O 1 HETATM 3325 O O . HOH I 6 . ? -8.503 -28.157 2.357 1.00 22.61 ? 627 HOH A O 1 HETATM 3326 O O . HOH I 6 . ? -51.786 -20.501 3.059 1.00 22.39 ? 628 HOH A O 1 HETATM 3327 O O . HOH I 6 . ? -31.508 -46.128 -9.343 1.00 23.16 ? 629 HOH A O 1 HETATM 3328 O O . HOH I 6 . ? -31.550 -15.198 -5.240 1.00 22.91 ? 630 HOH A O 1 HETATM 3329 O O . HOH I 6 . ? -44.105 -46.731 -2.168 1.00 23.68 ? 631 HOH A O 1 HETATM 3330 O O . HOH I 6 . ? -50.666 -48.251 -5.746 1.00 22.72 ? 632 HOH A O 1 HETATM 3331 O O . HOH I 6 . ? -35.984 -41.046 -12.996 1.00 20.53 ? 633 HOH A O 1 HETATM 3332 O O . HOH I 6 . ? -27.645 -19.656 6.811 1.00 18.87 ? 634 HOH A O 1 HETATM 3333 O O . HOH I 6 . ? -46.287 -20.132 10.998 1.00 28.33 ? 635 HOH A O 1 HETATM 3334 O O . HOH I 6 . ? -23.448 -38.877 6.970 1.00 15.58 ? 636 HOH A O 1 HETATM 3335 O O . HOH I 6 . ? -28.704 -35.370 7.578 1.00 25.23 ? 637 HOH A O 1 HETATM 3336 O O . HOH I 6 . ? -53.752 -37.277 0.096 1.00 21.15 ? 638 HOH A O 1 HETATM 3337 O O . HOH I 6 . ? -16.886 -41.038 13.276 1.00 22.67 ? 639 HOH A O 1 HETATM 3338 O O . HOH I 6 . ? -45.984 -46.610 -4.133 1.00 27.05 ? 640 HOH A O 1 HETATM 3339 O O . HOH I 6 . ? -50.397 -35.504 3.106 1.00 25.72 ? 641 HOH A O 1 HETATM 3340 O O . HOH I 6 . ? -30.979 -24.791 -11.334 1.00 26.62 ? 642 HOH A O 1 HETATM 3341 O O . HOH I 6 . ? -19.348 -41.241 12.325 1.00 25.08 ? 643 HOH A O 1 HETATM 3342 O O . HOH I 6 . ? -39.071 -51.652 -9.319 1.00 26.28 ? 644 HOH A O 1 HETATM 3343 O O . HOH I 6 . ? -50.563 -14.766 6.270 1.00 28.48 ? 645 HOH A O 1 HETATM 3344 O O . HOH I 6 . ? -39.128 -18.006 10.495 1.00 25.19 ? 646 HOH A O 1 HETATM 3345 O O . HOH I 6 . ? -50.764 -32.933 4.140 1.00 22.46 ? 647 HOH A O 1 HETATM 3346 O O . HOH I 6 . ? -32.002 -47.502 -4.407 1.00 26.43 ? 648 HOH A O 1 HETATM 3347 O O . HOH I 6 . ? -34.673 -23.981 -9.563 1.00 25.33 ? 649 HOH A O 1 HETATM 3348 O O . HOH I 6 . ? -24.546 -34.943 -14.480 1.00 45.93 ? 650 HOH A O 1 HETATM 3349 O O . HOH I 6 . ? -24.893 -22.771 11.485 1.00 23.18 ? 651 HOH A O 1 HETATM 3350 O O . HOH I 6 . ? -32.393 -38.897 5.815 1.00 28.33 ? 652 HOH A O 1 HETATM 3351 O O . HOH I 6 . ? -37.788 -33.875 3.503 1.00 30.01 ? 653 HOH A O 1 HETATM 3352 O O . HOH I 6 . ? -28.061 -29.319 10.616 1.00 27.21 ? 654 HOH A O 1 HETATM 3353 O O . HOH I 6 . ? -41.354 -50.507 -9.017 1.00 28.10 ? 655 HOH A O 1 HETATM 3354 O O . HOH I 6 . ? -47.700 -42.637 0.830 1.00 35.72 ? 656 HOH A O 1 HETATM 3355 O O . HOH I 6 . ? -24.468 -37.866 -10.290 1.00 32.62 ? 657 HOH A O 1 HETATM 3356 O O . HOH I 6 . ? -48.692 -19.750 9.731 1.00 28.43 ? 658 HOH A O 1 HETATM 3357 O O . HOH I 6 . ? -37.663 -28.400 -17.659 1.00 28.46 ? 659 HOH A O 1 HETATM 3358 O O . HOH I 6 . ? -29.912 -9.703 5.260 1.00 34.11 ? 660 HOH A O 1 HETATM 3359 O O . HOH I 6 . ? -18.841 -42.149 -2.546 1.00 28.85 ? 661 HOH A O 1 HETATM 3360 O O . HOH I 6 . ? -52.727 -36.758 3.008 1.00 29.96 ? 662 HOH A O 1 HETATM 3361 O O . HOH I 6 . ? -24.065 -43.525 0.654 1.00 26.03 ? 663 HOH A O 1 HETATM 3362 O O . HOH I 6 . ? -29.085 -33.204 9.486 1.00 35.65 ? 664 HOH A O 1 HETATM 3363 O O . HOH I 6 . ? -26.534 -31.460 -17.066 1.00 27.93 ? 665 HOH A O 1 HETATM 3364 O O . HOH I 6 . ? -45.008 -45.811 3.243 1.00 39.96 ? 666 HOH A O 1 HETATM 3365 O O . HOH I 6 . ? -11.845 -34.088 -0.242 1.00 25.29 ? 667 HOH A O 1 HETATM 3366 O O . HOH I 6 . ? -18.492 -18.243 12.601 1.00 31.92 ? 668 HOH A O 1 HETATM 3367 O O . HOH I 6 . ? -22.136 -28.226 -7.347 1.00 29.23 ? 669 HOH A O 1 HETATM 3368 O O . HOH I 6 . ? -54.831 -24.768 1.061 1.00 33.06 ? 670 HOH A O 1 HETATM 3369 O O . HOH I 6 . ? -4.003 -16.899 9.309 1.00 27.79 ? 671 HOH A O 1 HETATM 3370 O O . HOH I 6 . ? -36.552 -41.000 4.216 1.00 35.47 ? 672 HOH A O 1 HETATM 3371 O O . HOH I 6 . ? -34.348 -22.016 7.104 1.00 31.25 ? 673 HOH A O 1 HETATM 3372 O O . HOH I 6 . ? -11.559 -37.262 3.694 1.00 27.88 ? 674 HOH A O 1 HETATM 3373 O O . HOH I 6 . ? -28.097 -21.357 8.876 1.00 33.85 ? 675 HOH A O 1 HETATM 3374 O O . HOH I 6 . ? -48.391 -36.701 4.402 1.00 34.37 ? 676 HOH A O 1 HETATM 3375 O O . HOH I 6 . ? -25.479 -29.891 9.428 1.00 27.80 ? 677 HOH A O 1 HETATM 3376 O O . HOH I 6 . ? -36.551 -21.367 -13.093 1.00 25.23 ? 678 HOH A O 1 HETATM 3377 O O . HOH I 6 . ? -6.324 -33.207 13.141 1.00 32.66 ? 679 HOH A O 1 HETATM 3378 O O . HOH I 6 . ? -28.632 -46.501 -7.778 1.00 28.91 ? 680 HOH A O 1 HETATM 3379 O O . HOH I 6 . ? -25.713 -26.444 -11.987 1.00 33.69 ? 681 HOH A O 1 HETATM 3380 O O . HOH I 6 . ? -56.087 -31.399 -0.080 1.00 28.70 ? 682 HOH A O 1 HETATM 3381 O O . HOH I 6 . ? -9.816 -23.505 17.204 1.00 38.92 ? 683 HOH A O 1 HETATM 3382 O O . HOH I 6 . ? -15.563 -31.139 -4.085 1.00 35.99 ? 684 HOH A O 1 HETATM 3383 O O . HOH I 6 . ? -16.116 -42.056 -1.978 1.00 32.99 ? 685 HOH A O 1 HETATM 3384 O O . HOH I 6 . ? -54.176 -27.336 4.618 1.00 34.99 ? 686 HOH A O 1 HETATM 3385 O O . HOH I 6 . ? -14.056 -37.420 -2.279 1.00 41.98 ? 687 HOH A O 1 HETATM 3386 O O . HOH I 6 . ? -37.031 -43.503 -13.720 1.00 35.76 ? 688 HOH A O 1 HETATM 3387 O O . HOH I 6 . ? -29.608 -20.851 -2.574 1.00 29.62 ? 689 HOH A O 1 HETATM 3388 O O . HOH I 6 . ? -9.505 -25.229 11.307 1.00 25.26 ? 690 HOH A O 1 HETATM 3389 O O . HOH I 6 . ? -49.292 -10.082 7.064 1.00 35.98 ? 691 HOH A O 1 HETATM 3390 O O . HOH I 6 . ? -15.164 -40.048 -0.312 1.00 31.81 ? 692 HOH A O 1 HETATM 3391 O O . HOH I 6 . ? -32.898 -41.444 5.143 1.00 38.35 ? 693 HOH A O 1 HETATM 3392 O O . HOH I 6 . ? -34.005 -47.510 -10.076 1.00 45.65 ? 694 HOH A O 1 HETATM 3393 O O . HOH I 6 . ? -13.496 -33.608 17.216 1.00 32.31 ? 695 HOH A O 1 HETATM 3394 O O . HOH I 6 . ? -14.064 -24.380 15.920 1.00 30.92 ? 696 HOH A O 1 HETATM 3395 O O . HOH I 6 . ? -25.766 -25.658 -8.758 1.00 32.52 ? 697 HOH A O 1 HETATM 3396 O O . HOH I 6 . ? -29.263 -47.924 -3.445 1.00 33.82 ? 698 HOH A O 1 HETATM 3397 O O . HOH I 6 . ? -6.922 -22.153 4.702 1.00 35.13 ? 699 HOH A O 1 HETATM 3398 O O . HOH I 6 . ? -37.210 -35.896 2.065 1.00 29.07 ? 700 HOH A O 1 HETATM 3399 O O . HOH I 6 . ? -3.677 -23.126 15.270 1.00 38.77 ? 701 HOH A O 1 HETATM 3400 O O . HOH I 6 . ? -48.033 -32.843 5.310 1.00 35.67 ? 702 HOH A O 1 HETATM 3401 O O . HOH I 6 . ? -44.632 -13.266 9.552 1.00 34.14 ? 703 HOH A O 1 HETATM 3402 O O . HOH I 6 . ? -33.831 -22.390 -3.276 1.00 24.76 ? 704 HOH A O 1 HETATM 3403 O O . HOH I 6 . ? -56.332 -25.731 3.182 1.00 33.17 ? 705 HOH A O 1 HETATM 3404 O O . HOH I 6 . ? -4.769 -14.706 12.418 1.00 44.01 ? 706 HOH A O 1 HETATM 3405 O O . HOH I 6 . ? -22.564 -40.652 12.988 1.00 47.15 ? 707 HOH A O 1 HETATM 3406 O O . HOH I 6 . ? -45.502 -33.424 4.916 1.00 33.33 ? 708 HOH A O 1 HETATM 3407 O O . HOH I 6 . ? -28.173 -44.791 -9.834 1.00 34.95 ? 709 HOH A O 1 HETATM 3408 O O . HOH I 6 . ? -8.998 -18.634 2.584 1.00 40.04 ? 710 HOH A O 1 HETATM 3409 O O . HOH I 6 . ? -12.794 -31.054 -0.484 1.00 30.81 ? 711 HOH A O 1 HETATM 3410 O O . HOH I 6 . ? -31.615 -22.834 6.944 1.00 41.03 ? 712 HOH A O 1 HETATM 3411 O O . HOH I 6 . ? -39.162 -7.833 -12.248 1.00 30.45 ? 713 HOH A O 1 HETATM 3412 O O . HOH I 6 . ? -4.585 -29.195 9.746 1.00 42.54 ? 714 HOH A O 1 HETATM 3413 O O . HOH I 6 . ? -26.329 -26.539 18.357 1.00 48.57 ? 715 HOH A O 1 HETATM 3414 O O . HOH I 6 . ? -40.173 -28.401 -1.957 1.00 38.63 ? 716 HOH A O 1 HETATM 3415 O O . HOH I 6 . ? -35.559 -19.679 -10.957 1.00 27.23 ? 717 HOH A O 1 HETATM 3416 O O . HOH I 6 . ? -56.371 -34.402 -0.978 1.00 38.19 ? 718 HOH A O 1 HETATM 3417 O O . HOH I 6 . ? -56.826 -31.252 2.222 1.00 42.87 ? 719 HOH A O 1 HETATM 3418 O O . HOH I 6 . ? -7.259 -26.835 9.922 1.00 36.19 ? 720 HOH A O 1 HETATM 3419 O O . HOH I 6 . ? -35.595 -36.711 3.391 1.00 42.21 ? 721 HOH A O 1 HETATM 3420 O O . HOH I 6 . ? -16.635 -36.803 -5.884 1.00 39.84 ? 722 HOH A O 1 HETATM 3421 O O . HOH I 6 . ? -11.628 -13.978 8.916 1.00 38.50 ? 723 HOH A O 1 HETATM 3422 O O . HOH I 6 . ? -42.177 -52.133 -12.450 1.00 38.58 ? 724 HOH A O 1 HETATM 3423 O O . HOH I 6 . ? -27.602 -15.876 -2.955 1.00 33.12 ? 725 HOH A O 1 HETATM 3424 O O . HOH I 6 . ? -25.316 -31.981 10.874 1.00 40.72 ? 726 HOH A O 1 HETATM 3425 O O . HOH I 6 . ? -19.777 -24.759 -4.504 1.00 34.45 ? 727 HOH A O 1 HETATM 3426 O O . HOH I 6 . ? -36.865 -4.499 -11.148 1.00 44.04 ? 728 HOH A O 1 HETATM 3427 O O . HOH I 6 . ? -11.493 -32.972 18.035 1.00 45.13 ? 729 HOH A O 1 HETATM 3428 O O . HOH I 6 . ? -29.917 -25.728 13.246 1.00 43.02 ? 730 HOH A O 1 HETATM 3429 O O . HOH I 6 . ? -24.376 -30.344 20.127 1.00 45.54 ? 731 HOH A O 1 HETATM 3430 O O . HOH I 6 . ? -52.856 -33.062 5.710 1.00 37.58 ? 732 HOH A O 1 HETATM 3431 O O . HOH I 6 . ? -53.105 -39.425 3.577 1.00 44.28 ? 733 HOH A O 1 HETATM 3432 O O . HOH I 6 . ? -35.687 -23.560 -16.853 1.00 46.13 ? 734 HOH A O 1 HETATM 3433 O O . HOH I 6 . ? -41.014 -30.246 7.015 1.00 33.45 ? 735 HOH A O 1 HETATM 3434 O O . HOH I 6 . ? -46.738 -26.612 16.159 1.00 42.75 ? 736 HOH A O 1 HETATM 3435 O O . HOH I 6 . ? -54.419 -20.853 4.091 1.00 34.63 ? 737 HOH A O 1 HETATM 3436 O O . HOH I 6 . ? -38.357 -43.192 -15.590 1.00 37.03 ? 738 HOH A O 1 HETATM 3437 O O . HOH I 6 . ? -25.589 -45.649 -0.266 1.00 44.21 ? 739 HOH A O 1 HETATM 3438 O O . HOH I 6 . ? -26.078 -33.973 -16.424 1.00 36.81 ? 740 HOH A O 1 HETATM 3439 O O . HOH I 6 . ? -58.122 -27.404 2.978 1.00 42.51 ? 741 HOH A O 1 HETATM 3440 O O . HOH I 6 . ? -13.262 -41.144 0.991 1.00 44.66 ? 742 HOH A O 1 HETATM 3441 O O . HOH I 6 . ? -11.888 -37.328 1.075 1.00 38.48 ? 743 HOH A O 1 HETATM 3442 O O . HOH I 6 . ? -34.908 -43.031 5.049 1.00 50.80 ? 744 HOH A O 1 HETATM 3443 O O . HOH I 6 . ? -16.293 -43.108 2.063 1.00 41.28 ? 745 HOH A O 1 HETATM 3444 O O . HOH I 6 . ? -20.851 -42.940 13.981 1.00 49.37 ? 746 HOH A O 1 HETATM 3445 O O . HOH I 6 . ? -32.268 -9.691 -12.405 1.00 40.80 ? 747 HOH A O 1 HETATM 3446 O O . HOH I 6 . ? -20.700 -25.774 -6.893 1.00 41.69 ? 748 HOH A O 1 HETATM 3447 O O . HOH I 6 . ? -32.851 -27.463 10.426 1.00 34.92 ? 749 HOH A O 1 HETATM 3448 O O . HOH I 6 . ? -53.989 -39.914 -0.852 1.00 34.16 ? 750 HOH A O 1 HETATM 3449 O O . HOH I 6 . ? -23.081 -34.451 -11.389 1.00 34.34 ? 751 HOH A O 1 HETATM 3450 O O . HOH I 6 . ? -17.237 -15.944 7.807 1.00 27.70 ? 752 HOH A O 1 HETATM 3451 O O . HOH I 6 . ? -25.676 -44.369 -9.114 1.00 34.85 ? 753 HOH A O 1 HETATM 3452 O O . HOH I 6 . ? -33.982 -15.848 -12.119 1.00 37.23 ? 754 HOH A O 1 HETATM 3453 O O . HOH I 6 . ? -50.555 -16.056 8.587 1.00 34.70 ? 755 HOH A O 1 HETATM 3454 O O . HOH I 6 . ? -12.408 -13.630 6.450 1.00 41.38 ? 756 HOH A O 1 HETATM 3455 O O . HOH I 6 . ? -13.906 -13.499 11.179 1.00 36.72 ? 757 HOH A O 1 HETATM 3456 O O . HOH I 6 . ? -39.756 -25.041 12.888 1.00 45.56 ? 758 HOH A O 1 HETATM 3457 O O . HOH I 6 . ? -31.313 -22.290 -8.751 1.00 44.86 ? 759 HOH A O 1 HETATM 3458 O O . HOH I 6 . ? -12.610 -22.928 0.736 1.00 33.50 ? 760 HOH A O 1 HETATM 3459 O O . HOH I 6 . ? -41.687 -31.828 8.893 1.00 38.04 ? 761 HOH A O 1 HETATM 3460 O O . HOH I 6 . ? -35.081 -31.168 4.629 1.00 44.29 ? 762 HOH A O 1 HETATM 3461 O O . HOH I 6 . ? -56.409 -36.375 0.268 1.00 42.45 ? 763 HOH A O 1 HETATM 3462 O O . HOH I 6 . ? -27.553 -31.472 12.693 1.00 43.62 ? 764 HOH A O 1 HETATM 3463 O O . HOH I 6 . ? -34.394 -32.759 -16.213 1.00 39.86 ? 765 HOH A O 1 HETATM 3464 O O . HOH I 6 . ? -43.850 -9.893 11.882 1.00 44.85 ? 766 HOH A O 1 HETATM 3465 O O . HOH I 6 . ? -31.451 -16.118 -11.555 1.00 41.29 ? 767 HOH A O 1 HETATM 3466 O O . HOH I 6 . ? -36.152 -50.744 -8.145 1.00 40.57 ? 768 HOH A O 1 HETATM 3467 O O . HOH I 6 . ? -19.305 -26.607 16.712 1.00 44.58 ? 769 HOH A O 1 HETATM 3468 O O . HOH I 6 . ? -48.606 -17.051 9.930 1.00 44.08 ? 770 HOH A O 1 HETATM 3469 O O . HOH I 6 . ? -2.740 -31.398 10.204 1.00 48.82 ? 771 HOH A O 1 HETATM 3470 O O . HOH I 6 . ? -34.529 -23.868 9.253 1.00 39.95 ? 772 HOH A O 1 HETATM 3471 O O . HOH I 6 . ? -33.943 -29.752 6.914 1.00 40.35 ? 773 HOH A O 1 HETATM 3472 O O . HOH I 6 . ? -7.622 -30.388 1.869 1.00 44.79 ? 774 HOH A O 1 HETATM 3473 O O . HOH I 6 . ? -35.155 -48.371 -7.533 1.00 22.20 ? 775 HOH A O 1 HETATM 3474 O O . HOH I 6 . ? -33.937 -22.232 -7.811 1.00 39.77 ? 776 HOH A O 1 HETATM 3475 O O . HOH I 6 . ? -44.149 -49.458 -18.588 1.00 45.86 ? 777 HOH A O 1 HETATM 3476 O O . HOH I 6 . ? -31.642 -23.230 10.386 1.00 41.33 ? 778 HOH A O 1 HETATM 3477 O O . HOH I 6 . ? -30.228 -27.025 -15.585 1.00 41.63 ? 779 HOH A O 1 HETATM 3478 O O . HOH I 6 . ? -25.993 -28.227 -14.090 1.00 53.40 ? 780 HOH A O 1 HETATM 3479 O O . HOH I 6 . ? -29.445 -40.756 -14.385 1.00 40.67 ? 781 HOH A O 1 HETATM 3480 O O . HOH I 6 . ? -53.250 -13.892 5.927 1.00 46.65 ? 782 HOH A O 1 HETATM 3481 O O . HOH I 6 . ? -42.988 -50.937 -17.327 1.00 40.81 ? 783 HOH A O 1 HETATM 3482 O O . HOH I 6 . ? -18.198 -19.362 15.503 1.00 43.36 ? 784 HOH A O 1 HETATM 3483 O O . HOH I 6 . ? -28.040 -44.484 -13.764 1.00 42.63 ? 785 HOH A O 1 HETATM 3484 O O . HOH I 6 . ? -27.981 -42.018 -12.182 1.00 33.55 ? 786 HOH A O 1 HETATM 3485 O O . HOH I 6 . ? -42.100 -34.584 5.548 1.00 37.71 ? 787 HOH A O 1 HETATM 3486 O O . HOH I 6 . ? -35.579 -46.242 -12.656 1.00 44.56 ? 788 HOH A O 1 HETATM 3487 O O . HOH I 6 . ? -14.900 -44.003 -2.539 1.00 47.61 ? 789 HOH A O 1 HETATM 3488 O O . HOH I 6 . ? -9.228 -29.355 18.737 1.00 55.51 ? 790 HOH A O 1 HETATM 3489 O O . HOH I 6 . ? -56.684 -34.948 -4.001 1.00 22.36 ? 791 HOH A O 1 HETATM 3490 O O . HOH I 6 . ? -55.044 -40.830 -5.723 1.00 24.00 ? 792 HOH A O 1 HETATM 3491 O O . HOH I 6 . ? -54.367 -25.597 -1.564 1.00 26.54 ? 793 HOH A O 1 HETATM 3492 O O . HOH I 6 . ? -55.663 -35.779 -6.356 1.00 24.99 ? 794 HOH A O 1 HETATM 3493 O O . HOH I 6 . ? -37.780 -26.723 9.302 1.00 27.41 ? 795 HOH A O 1 HETATM 3494 O O . HOH I 6 . ? -58.669 -33.040 -4.045 1.00 28.86 ? 796 HOH A O 1 HETATM 3495 O O . HOH I 6 . ? -51.569 -49.250 -16.236 1.00 36.93 ? 797 HOH A O 1 HETATM 3496 O O . HOH I 6 . ? -25.467 -39.430 -12.300 1.00 41.36 ? 798 HOH A O 1 HETATM 3497 O O . HOH I 6 . ? -55.646 -43.339 -7.633 1.00 44.84 ? 799 HOH A O 1 HETATM 3498 O O . HOH I 6 . ? -7.237 -25.300 2.568 1.00 48.21 ? 800 HOH A O 1 HETATM 3499 O O . HOH I 6 . ? -33.154 -49.081 -6.434 1.00 52.75 ? 801 HOH A O 1 HETATM 3500 O O . HOH I 6 . ? -54.832 -31.306 4.211 1.00 39.79 ? 802 HOH A O 1 HETATM 3501 O O . HOH I 6 . ? -40.607 -20.279 12.182 1.00 45.25 ? 803 HOH A O 1 HETATM 3502 O O . HOH I 6 . ? -42.216 -53.777 -10.684 1.00 54.48 ? 804 HOH A O 1 HETATM 3503 O O . HOH I 6 . ? -33.434 -36.169 8.232 1.00 50.70 ? 805 HOH A O 1 HETATM 3504 O O . HOH I 6 . ? -29.573 -46.997 -13.856 1.00 48.14 ? 806 HOH A O 1 HETATM 3505 O O . HOH I 6 . ? -10.207 -36.667 7.709 1.00 28.66 ? 807 HOH A O 1 HETATM 3506 O O . HOH I 6 . ? -20.857 -40.472 -7.881 1.00 40.09 ? 808 HOH A O 1 HETATM 3507 O O . HOH I 6 . ? -21.225 -38.095 -7.315 1.00 34.56 ? 809 HOH A O 1 HETATM 3508 O O . HOH I 6 . ? -37.999 -28.325 -3.530 1.00 32.59 ? 810 HOH A O 1 HETATM 3509 O O . HOH I 6 . ? -30.587 -16.806 8.379 1.00 53.51 ? 811 HOH A O 1 HETATM 3510 O O . HOH I 6 . ? -32.142 -11.983 -11.526 1.00 47.70 ? 812 HOH A O 1 HETATM 3511 O O . HOH I 6 . ? -27.542 -19.766 11.342 1.00 52.08 ? 813 HOH A O 1 HETATM 3512 O O . HOH I 6 . ? -53.714 -43.805 -12.411 1.00 16.66 ? 814 HOH A O 1 HETATM 3513 O O . HOH I 6 . ? -20.314 -45.419 14.392 1.00 28.33 ? 815 HOH A O 1 HETATM 3514 O O . HOH I 6 . ? -55.722 -43.976 -10.535 1.00 25.47 ? 816 HOH A O 1 HETATM 3515 O O . HOH I 6 . ? -20.626 -31.532 18.819 1.00 36.02 ? 817 HOH A O 1 HETATM 3516 O O . HOH I 6 . ? -43.189 -51.583 -7.200 1.00 38.41 ? 818 HOH A O 1 HETATM 3517 O O . HOH I 6 . ? -40.243 -33.406 4.452 1.00 48.53 ? 819 HOH A O 1 HETATM 3518 O O . HOH I 6 . ? -18.523 -30.205 18.857 1.00 47.52 ? 820 HOH A O 1 HETATM 3519 O O . HOH I 6 . ? -34.673 -41.856 -15.323 1.00 50.47 ? 821 HOH A O 1 HETATM 3520 O O . HOH I 6 . ? -25.833 -47.291 -5.087 1.00 41.53 ? 822 HOH A O 1 HETATM 3521 O O . HOH I 6 . ? -29.992 -24.570 -9.195 1.00 44.27 ? 823 HOH A O 1 HETATM 3522 O O . HOH I 6 . ? -51.075 -21.678 10.016 1.00 39.56 ? 824 HOH A O 1 HETATM 3523 O O . HOH I 6 . ? -30.880 -37.081 7.580 1.00 45.04 ? 825 HOH A O 1 HETATM 3524 O O . HOH I 6 . ? -43.857 -4.609 8.135 1.00 41.52 ? 826 HOH A O 1 HETATM 3525 O O . HOH I 6 . ? -30.037 -46.817 3.588 1.00 49.15 ? 827 HOH A O 1 HETATM 3526 O O . HOH I 6 . ? -34.423 -6.003 -10.324 1.00 44.35 ? 828 HOH A O 1 HETATM 3527 O O . HOH I 6 . ? -46.166 -40.008 8.439 1.00 51.41 ? 829 HOH A O 1 HETATM 3528 O O . HOH I 6 . ? -17.228 -25.438 15.736 1.00 42.21 ? 830 HOH A O 1 HETATM 3529 O O . HOH I 6 . ? -48.345 -39.008 4.334 1.00 43.73 ? 831 HOH A O 1 HETATM 3530 O O . HOH I 6 . ? -38.958 -13.862 10.953 1.00 54.46 ? 832 HOH A O 1 HETATM 3531 O O . HOH I 6 . ? -55.637 -22.043 1.293 1.00 43.39 ? 833 HOH A O 1 HETATM 3532 O O . HOH I 6 . ? -27.637 -47.149 2.089 1.00 52.02 ? 834 HOH A O 1 HETATM 3533 O O . HOH I 6 . ? -38.189 -29.058 8.775 1.00 57.03 ? 835 HOH A O 1 HETATM 3534 O O . HOH I 6 . ? -23.904 -21.662 15.538 1.00 46.96 ? 836 HOH A O 1 HETATM 3535 O O . HOH I 6 . ? -47.904 -42.554 8.863 1.00 55.60 ? 837 HOH A O 1 HETATM 3536 O O . HOH I 6 . ? -45.649 -16.138 8.742 1.00 24.35 ? 838 HOH A O 1 HETATM 3537 O O . HOH I 6 . ? -6.298 -16.282 3.082 1.00 50.15 ? 839 HOH A O 1 HETATM 3538 O O . HOH I 6 . ? -30.560 -30.864 -17.949 1.00 39.59 ? 840 HOH A O 1 HETATM 3539 O O . HOH I 6 . ? -29.019 -31.131 -16.061 1.00 36.40 ? 841 HOH A O 1 HETATM 3540 O O . HOH I 6 . ? -57.828 -37.491 -3.399 1.00 35.60 ? 842 HOH A O 1 HETATM 3541 O O . HOH I 6 . ? -26.838 -35.220 -12.737 1.00 48.77 ? 843 HOH A O 1 HETATM 3542 O O . HOH I 6 . ? -45.414 -47.497 -0.070 1.00 47.75 ? 844 HOH A O 1 HETATM 3543 O O . HOH I 6 . ? -45.443 -17.616 10.510 1.00 49.85 ? 845 HOH A O 1 HETATM 3544 O O . HOH I 6 . ? -20.551 -44.130 -5.921 1.00 44.90 ? 846 HOH A O 1 HETATM 3545 O O . HOH I 6 . ? -10.447 -39.947 20.848 1.00 47.90 ? 847 HOH A O 1 HETATM 3546 O O . HOH I 6 . ? -29.320 -32.971 -14.784 1.00 46.51 ? 848 HOH A O 1 HETATM 3547 O O . HOH I 6 . ? -18.812 -36.966 18.394 1.00 47.44 ? 849 HOH A O 1 HETATM 3548 O O . HOH I 6 . ? -12.682 -26.728 16.834 1.00 50.99 ? 850 HOH A O 1 HETATM 3549 O O . HOH I 6 . ? -2.546 -14.379 14.174 1.00 49.45 ? 851 HOH A O 1 HETATM 3550 O O . HOH I 6 . ? -8.138 -31.565 19.311 1.00 57.80 ? 852 HOH A O 1 HETATM 3551 O O . HOH I 6 . ? -32.427 -47.063 -13.740 1.00 49.37 ? 853 HOH A O 1 HETATM 3552 O O . HOH I 6 . ? -4.018 -15.093 3.620 1.00 52.55 ? 854 HOH A O 1 HETATM 3553 O O . HOH J 6 . ? -52.110 -16.771 -15.451 1.00 10.83 ? 601 HOH B O 1 HETATM 3554 O O . HOH J 6 . ? -53.612 -17.439 -19.762 1.00 12.88 ? 602 HOH B O 1 HETATM 3555 O O . HOH J 6 . ? -36.994 -25.134 -10.366 1.00 13.03 ? 603 HOH B O 1 HETATM 3556 O O . HOH J 6 . ? -35.966 -35.517 -9.090 1.00 13.71 ? 604 HOH B O 1 HETATM 3557 O O . HOH J 6 . ? -49.975 -24.702 -21.594 1.00 13.58 ? 605 HOH B O 1 HETATM 3558 O O . HOH J 6 . ? -52.789 -24.017 -9.805 1.00 16.16 ? 606 HOH B O 1 HETATM 3559 O O . HOH J 6 . ? -45.453 -23.864 -22.754 1.00 15.50 ? 607 HOH B O 1 HETATM 3560 O O . HOH J 6 . ? -53.027 -15.519 -17.806 1.00 12.52 ? 608 HOH B O 1 HETATM 3561 O O . HOH J 6 . ? -9.408 -9.108 -16.295 1.00 17.51 ? 609 HOH B O 1 HETATM 3562 O O . HOH J 6 . ? -45.791 -16.148 -6.711 1.00 16.36 ? 610 HOH B O 1 HETATM 3563 O O . HOH J 6 . ? -44.486 -18.472 -7.317 1.00 14.87 ? 611 HOH B O 1 HETATM 3564 O O . HOH J 6 . ? -37.904 -24.071 -12.786 1.00 17.09 ? 612 HOH B O 1 HETATM 3565 O O . HOH J 6 . ? -13.075 -10.919 0.686 1.00 16.53 ? 613 HOH B O 1 HETATM 3566 O O . HOH J 6 . ? -40.947 -33.981 -19.902 1.00 18.76 ? 614 HOH B O 1 HETATM 3567 O O . HOH J 6 . ? -6.853 -7.228 0.247 1.00 17.27 ? 615 HOH B O 1 HETATM 3568 O O . HOH J 6 . ? -59.424 -17.791 -9.201 1.00 17.18 ? 616 HOH B O 1 HETATM 3569 O O . HOH J 6 . ? -10.736 -16.041 -18.144 1.00 18.91 ? 617 HOH B O 1 HETATM 3570 O O . HOH J 6 . ? -16.434 -11.720 -13.588 1.00 18.69 ? 618 HOH B O 1 HETATM 3571 O O . HOH J 6 . ? -33.176 -8.740 1.993 1.00 17.81 ? 619 HOH B O 1 HETATM 3572 O O . HOH J 6 . ? -56.699 -16.819 -9.819 1.00 14.65 ? 620 HOH B O 1 HETATM 3573 O O . HOH J 6 . ? -59.715 -15.698 -15.362 1.00 14.64 ? 621 HOH B O 1 HETATM 3574 O O . HOH J 6 . ? -52.280 -31.648 -24.478 1.00 18.32 ? 622 HOH B O 1 HETATM 3575 O O . HOH J 6 . ? -27.227 -14.244 5.060 1.00 18.43 ? 623 HOH B O 1 HETATM 3576 O O . HOH J 6 . ? -57.300 -24.520 -10.500 1.00 18.08 ? 624 HOH B O 1 HETATM 3577 O O . HOH J 6 . ? -5.521 -22.490 -15.608 1.00 17.89 ? 625 HOH B O 1 HETATM 3578 O O . HOH J 6 . ? -47.790 -25.369 -23.183 1.00 16.89 ? 626 HOH B O 1 HETATM 3579 O O . HOH J 6 . ? -40.129 -29.578 -6.152 1.00 15.99 ? 627 HOH B O 1 HETATM 3580 O O . HOH J 6 . ? -4.958 -13.706 -24.327 1.00 21.66 ? 628 HOH B O 1 HETATM 3581 O O . HOH J 6 . ? -20.775 -18.826 -12.787 1.00 20.85 ? 629 HOH B O 1 HETATM 3582 O O . HOH J 6 . ? -41.602 -48.472 -2.567 1.00 21.91 ? 630 HOH B O 1 HETATM 3583 O O . HOH J 6 . ? -33.726 -39.848 -12.042 1.00 22.53 ? 631 HOH B O 1 HETATM 3584 O O . HOH J 6 . ? 3.981 -6.009 -7.240 1.00 31.16 ? 632 HOH B O 1 HETATM 3585 O O . HOH J 6 . ? -59.088 -37.465 -18.829 1.00 20.61 ? 633 HOH B O 1 HETATM 3586 O O . HOH J 6 . ? -14.810 -4.956 -13.205 1.00 18.80 ? 634 HOH B O 1 HETATM 3587 O O . HOH J 6 . ? -39.134 -32.632 -18.034 1.00 19.16 ? 635 HOH B O 1 HETATM 3588 O O . HOH J 6 . ? -43.843 -32.162 -25.308 1.00 28.84 ? 636 HOH B O 1 HETATM 3589 O O . HOH J 6 . ? -22.298 -13.003 -11.954 1.00 26.52 ? 637 HOH B O 1 HETATM 3590 O O . HOH J 6 . ? -29.340 -13.130 -7.709 1.00 22.44 ? 638 HOH B O 1 HETATM 3591 O O . HOH J 6 . ? -27.464 -22.739 -5.612 1.00 28.87 ? 639 HOH B O 1 HETATM 3592 O O . HOH J 6 . ? -51.481 -34.920 -11.823 1.00 21.27 ? 640 HOH B O 1 HETATM 3593 O O . HOH J 6 . ? -10.068 -13.403 -19.422 1.00 21.56 ? 641 HOH B O 1 HETATM 3594 O O . HOH J 6 . ? -63.603 -25.632 -20.223 1.00 26.47 ? 642 HOH B O 1 HETATM 3595 O O . HOH J 6 . ? -22.780 -10.505 3.298 1.00 25.17 ? 643 HOH B O 1 HETATM 3596 O O . HOH J 6 . ? -30.843 -4.552 0.743 1.00 29.05 ? 644 HOH B O 1 HETATM 3597 O O . HOH J 6 . ? -13.884 -4.842 0.512 1.00 26.82 ? 645 HOH B O 1 HETATM 3598 O O . HOH J 6 . ? -31.268 -20.106 -0.334 1.00 25.53 ? 646 HOH B O 1 HETATM 3599 O O . HOH J 6 . ? -7.440 -15.646 -19.544 1.00 26.56 ? 647 HOH B O 1 HETATM 3600 O O . HOH J 6 . ? -49.232 -7.342 -3.132 1.00 24.14 ? 648 HOH B O 1 HETATM 3601 O O . HOH J 6 . ? -42.368 -5.858 -0.455 1.00 24.90 ? 649 HOH B O 1 HETATM 3602 O O . HOH J 6 . ? 0.220 -24.448 -3.114 1.00 32.16 ? 650 HOH B O 1 HETATM 3603 O O . HOH J 6 . ? -9.091 -5.695 0.919 1.00 25.36 ? 651 HOH B O 1 HETATM 3604 O O . HOH J 6 . ? -39.005 -22.306 -16.232 1.00 27.94 ? 652 HOH B O 1 HETATM 3605 O O . HOH J 6 . ? -51.607 -13.516 -19.337 1.00 25.90 ? 653 HOH B O 1 HETATM 3606 O O . HOH J 6 . ? -17.596 -1.622 4.898 1.00 27.12 ? 654 HOH B O 1 HETATM 3607 O O . HOH J 6 . ? -24.580 -4.360 2.316 1.00 21.99 ? 655 HOH B O 1 HETATM 3608 O O . HOH J 6 . ? -48.041 -25.133 -26.098 1.00 29.83 ? 656 HOH B O 1 HETATM 3609 O O . HOH J 6 . ? -3.112 -1.753 -11.481 1.00 22.06 ? 657 HOH B O 1 HETATM 3610 O O . HOH J 6 . ? 7.371 -11.723 -6.074 1.00 26.53 ? 658 HOH B O 1 HETATM 3611 O O . HOH J 6 . ? -60.742 -31.213 -22.804 1.00 26.16 ? 659 HOH B O 1 HETATM 3612 O O . HOH J 6 . ? -22.527 -17.968 3.938 1.00 33.74 ? 660 HOH B O 1 HETATM 3613 O O . HOH J 6 . ? -44.805 -7.112 2.314 1.00 33.58 ? 661 HOH B O 1 HETATM 3614 O O . HOH J 6 . ? -16.099 -23.873 -9.363 1.00 31.16 ? 662 HOH B O 1 HETATM 3615 O O . HOH J 6 . ? -0.578 -20.459 -1.825 1.00 32.73 ? 663 HOH B O 1 HETATM 3616 O O . HOH J 6 . ? 8.315 -13.944 -16.284 1.00 23.29 ? 664 HOH B O 1 HETATM 3617 O O . HOH J 6 . ? -11.320 -0.910 -1.747 1.00 34.35 ? 665 HOH B O 1 HETATM 3618 O O . HOH J 6 . ? -44.958 -13.968 -22.194 1.00 35.03 ? 666 HOH B O 1 HETATM 3619 O O . HOH J 6 . ? -44.801 -39.193 -24.237 1.00 30.95 ? 667 HOH B O 1 HETATM 3620 O O . HOH J 6 . ? -21.632 -14.897 2.735 1.00 24.97 ? 668 HOH B O 1 HETATM 3621 O O . HOH J 6 . ? -12.703 1.273 -4.284 1.00 24.07 ? 669 HOH B O 1 HETATM 3622 O O . HOH J 6 . ? -16.481 -3.627 0.424 1.00 30.63 ? 670 HOH B O 1 HETATM 3623 O O . HOH J 6 . ? -20.664 -1.193 -10.124 1.00 24.91 ? 671 HOH B O 1 HETATM 3624 O O . HOH J 6 . ? 7.747 -26.422 -9.304 1.00 22.90 ? 672 HOH B O 1 HETATM 3625 O O . HOH J 6 . ? -26.785 -5.132 3.524 1.00 31.34 ? 673 HOH B O 1 HETATM 3626 O O . HOH J 6 . ? -48.110 -9.708 -18.825 1.00 25.30 ? 674 HOH B O 1 HETATM 3627 O O . HOH J 6 . ? -33.938 -46.974 -2.849 1.00 24.57 ? 675 HOH B O 1 HETATM 3628 O O . HOH J 6 . ? -66.735 -26.620 -17.682 1.00 27.78 ? 676 HOH B O 1 HETATM 3629 O O . HOH J 6 . ? -6.586 -0.588 -2.428 1.00 28.47 ? 677 HOH B O 1 HETATM 3630 O O . HOH J 6 . ? -0.202 -4.589 -0.941 1.00 23.04 ? 678 HOH B O 1 HETATM 3631 O O . HOH J 6 . ? -7.528 -19.225 -2.228 1.00 40.78 ? 679 HOH B O 1 HETATM 3632 O O . HOH J 6 . ? -39.777 -30.348 -19.357 1.00 27.53 ? 680 HOH B O 1 HETATM 3633 O O . HOH J 6 . ? -2.950 -22.889 -10.357 1.00 23.91 ? 681 HOH B O 1 HETATM 3634 O O . HOH J 6 . ? -9.929 1.880 -3.555 1.00 38.57 ? 682 HOH B O 1 HETATM 3635 O O . HOH J 6 . ? 0.359 -20.460 -11.629 1.00 24.05 ? 683 HOH B O 1 HETATM 3636 O O . HOH J 6 . ? -3.735 -9.865 -21.395 1.00 30.15 ? 684 HOH B O 1 HETATM 3637 O O . HOH J 6 . ? -4.798 -21.546 -11.810 1.00 23.95 ? 685 HOH B O 1 HETATM 3638 O O . HOH J 6 . ? -25.804 -7.289 5.098 1.00 40.74 ? 686 HOH B O 1 HETATM 3639 O O . HOH J 6 . ? -12.095 -17.003 -0.166 1.00 29.79 ? 687 HOH B O 1 HETATM 3640 O O . HOH J 6 . ? -22.097 -12.921 4.467 1.00 33.96 ? 688 HOH B O 1 HETATM 3641 O O . HOH J 6 . ? 1.947 -18.095 -13.160 1.00 32.20 ? 689 HOH B O 1 HETATM 3642 O O . HOH J 6 . ? -10.888 -11.118 -17.361 1.00 26.17 ? 690 HOH B O 1 HETATM 3643 O O . HOH J 6 . ? 9.378 -1.237 -2.205 1.00 42.11 ? 691 HOH B O 1 HETATM 3644 O O . HOH J 6 . ? -27.906 -15.566 7.379 1.00 34.67 ? 692 HOH B O 1 HETATM 3645 O O . HOH J 6 . ? -33.165 -6.008 1.457 1.00 35.81 ? 693 HOH B O 1 HETATM 3646 O O . HOH J 6 . ? -40.944 -42.810 -15.066 1.00 23.56 ? 694 HOH B O 1 HETATM 3647 O O . HOH J 6 . ? 6.257 -3.724 -5.256 1.00 31.94 ? 695 HOH B O 1 HETATM 3648 O O . HOH J 6 . ? -6.847 -1.749 -19.845 1.00 31.53 ? 696 HOH B O 1 HETATM 3649 O O . HOH J 6 . ? 5.291 -11.881 -4.255 1.00 28.10 ? 697 HOH B O 1 HETATM 3650 O O . HOH J 6 . ? -3.225 -25.143 -12.401 1.00 29.37 ? 698 HOH B O 1 HETATM 3651 O O . HOH J 6 . ? -43.917 -24.088 -24.914 1.00 41.19 ? 699 HOH B O 1 HETATM 3652 O O . HOH J 6 . ? -25.261 -18.066 6.510 1.00 31.02 ? 700 HOH B O 1 HETATM 3653 O O . HOH J 6 . ? -33.799 -4.120 -8.404 1.00 37.04 ? 701 HOH B O 1 HETATM 3654 O O . HOH J 6 . ? -43.626 -2.678 -12.977 1.00 35.51 ? 702 HOH B O 1 HETATM 3655 O O . HOH J 6 . ? -4.483 -5.937 -0.883 1.00 28.94 ? 703 HOH B O 1 HETATM 3656 O O . HOH J 6 . ? -42.953 -41.908 -18.587 1.00 39.27 ? 704 HOH B O 1 HETATM 3657 O O . HOH J 6 . ? -31.708 -40.214 -14.347 1.00 37.12 ? 705 HOH B O 1 HETATM 3658 O O . HOH J 6 . ? -49.043 -5.014 -18.168 1.00 37.05 ? 706 HOH B O 1 HETATM 3659 O O . HOH J 6 . ? 1.219 -18.595 -0.598 1.00 37.33 ? 707 HOH B O 1 HETATM 3660 O O . HOH J 6 . ? -9.036 -3.220 1.108 1.00 34.31 ? 708 HOH B O 1 HETATM 3661 O O . HOH J 6 . ? -1.305 -15.424 0.538 1.00 34.97 ? 709 HOH B O 1 HETATM 3662 O O . HOH J 6 . ? 6.391 -28.807 -9.188 1.00 29.83 ? 710 HOH B O 1 HETATM 3663 O O . HOH J 6 . ? -22.955 -0.546 -10.321 1.00 35.48 ? 711 HOH B O 1 HETATM 3664 O O . HOH J 6 . ? -27.569 -11.503 4.720 1.00 32.04 ? 712 HOH B O 1 HETATM 3665 O O . HOH J 6 . ? -0.729 -16.294 -17.954 1.00 30.40 ? 713 HOH B O 1 HETATM 3666 O O . HOH J 6 . ? -42.586 -43.553 -16.680 1.00 36.03 ? 714 HOH B O 1 HETATM 3667 O O . HOH J 6 . ? -60.325 -23.969 -26.628 1.00 42.33 ? 715 HOH B O 1 HETATM 3668 O O . HOH J 6 . ? -19.182 5.582 -5.934 1.00 37.42 ? 716 HOH B O 1 HETATM 3669 O O . HOH J 6 . ? -39.165 -25.628 -20.223 1.00 33.38 ? 717 HOH B O 1 HETATM 3670 O O . HOH J 6 . ? -54.493 -30.153 -24.441 1.00 35.25 ? 718 HOH B O 1 HETATM 3671 O O . HOH J 6 . ? -8.497 -6.117 -25.142 1.00 43.06 ? 719 HOH B O 1 HETATM 3672 O O . HOH J 6 . ? -34.204 -45.701 4.875 1.00 34.27 ? 720 HOH B O 1 HETATM 3673 O O . HOH J 6 . ? -36.600 -33.408 -17.169 1.00 30.04 ? 721 HOH B O 1 HETATM 3674 O O . HOH J 6 . ? -55.279 -12.703 -17.187 1.00 29.89 ? 722 HOH B O 1 HETATM 3675 O O . HOH J 6 . ? 4.969 -9.035 -14.909 1.00 36.37 ? 723 HOH B O 1 HETATM 3676 O O . HOH J 6 . ? -16.855 -14.702 -11.598 1.00 40.28 ? 724 HOH B O 1 HETATM 3677 O O . HOH J 6 . ? 4.873 -1.845 -6.501 1.00 32.48 ? 725 HOH B O 1 HETATM 3678 O O . HOH J 6 . ? -2.485 -5.925 0.636 1.00 39.00 ? 726 HOH B O 1 HETATM 3679 O O . HOH J 6 . ? -46.709 -29.788 -24.891 1.00 34.87 ? 727 HOH B O 1 HETATM 3680 O O . HOH J 6 . ? -53.371 -8.227 -4.729 1.00 36.27 ? 728 HOH B O 1 HETATM 3681 O O . HOH J 6 . ? -8.768 -0.770 -0.978 1.00 40.61 ? 729 HOH B O 1 HETATM 3682 O O . HOH J 6 . ? -6.489 -21.300 -9.833 1.00 37.55 ? 730 HOH B O 1 HETATM 3683 O O . HOH J 6 . ? -53.914 -10.446 -17.155 1.00 31.00 ? 731 HOH B O 1 HETATM 3684 O O . HOH J 6 . ? -14.335 -18.408 0.478 1.00 35.34 ? 732 HOH B O 1 HETATM 3685 O O . HOH J 6 . ? 6.722 -16.582 -2.707 1.00 33.92 ? 733 HOH B O 1 HETATM 3686 O O . HOH J 6 . ? -35.921 -2.079 0.114 1.00 42.32 ? 734 HOH B O 1 HETATM 3687 O O . HOH J 6 . ? -19.703 0.823 -11.556 1.00 37.09 ? 735 HOH B O 1 HETATM 3688 O O . HOH J 6 . ? -4.975 -2.392 -0.643 1.00 52.98 ? 736 HOH B O 1 HETATM 3689 O O . HOH J 6 . ? -15.984 -14.635 -13.975 1.00 28.56 ? 737 HOH B O 1 HETATM 3690 O O . HOH J 6 . ? -51.651 -14.007 -22.244 1.00 32.34 ? 738 HOH B O 1 HETATM 3691 O O . HOH J 6 . ? -13.801 -14.737 -14.567 1.00 36.43 ? 739 HOH B O 1 HETATM 3692 O O . HOH J 6 . ? -9.758 -17.958 0.130 1.00 49.25 ? 740 HOH B O 1 HETATM 3693 O O . HOH J 6 . ? 8.196 -3.224 4.384 1.00 44.91 ? 741 HOH B O 1 HETATM 3694 O O . HOH J 6 . ? -46.581 -27.714 -23.158 1.00 32.38 ? 742 HOH B O 1 HETATM 3695 O O . HOH J 6 . ? -11.718 -22.911 -11.318 1.00 37.77 ? 743 HOH B O 1 HETATM 3696 O O . HOH J 6 . ? -47.523 -6.076 -7.697 1.00 32.48 ? 744 HOH B O 1 HETATM 3697 O O . HOH J 6 . ? -45.398 -4.380 -7.176 1.00 43.34 ? 745 HOH B O 1 HETATM 3698 O O . HOH J 6 . ? -25.159 -10.249 4.717 1.00 34.15 ? 746 HOH B O 1 HETATM 3699 O O . HOH J 6 . ? -22.842 -5.874 3.667 1.00 30.78 ? 747 HOH B O 1 HETATM 3700 O O . HOH J 6 . ? -1.144 -21.490 -13.687 1.00 35.52 ? 748 HOH B O 1 HETATM 3701 O O . HOH J 6 . ? 6.070 -29.281 -6.371 1.00 37.76 ? 749 HOH B O 1 HETATM 3702 O O . HOH J 6 . ? -12.867 0.755 -1.099 1.00 50.54 ? 750 HOH B O 1 HETATM 3703 O O . HOH J 6 . ? -42.219 -14.755 -21.593 1.00 37.15 ? 751 HOH B O 1 HETATM 3704 O O . HOH J 6 . ? -29.794 -5.671 -9.838 1.00 37.85 ? 752 HOH B O 1 HETATM 3705 O O . HOH J 6 . ? -1.359 -24.198 -13.990 1.00 32.36 ? 753 HOH B O 1 HETATM 3706 O O . HOH J 6 . ? -53.999 -40.971 -22.668 1.00 45.47 ? 754 HOH B O 1 HETATM 3707 O O . HOH J 6 . ? 10.662 -16.768 -2.276 1.00 46.64 ? 755 HOH B O 1 HETATM 3708 O O . HOH J 6 . ? -12.291 -2.881 -0.140 1.00 39.34 ? 756 HOH B O 1 HETATM 3709 O O . HOH J 6 . ? -46.647 -12.750 -20.807 1.00 42.08 ? 757 HOH B O 1 HETATM 3710 O O . HOH J 6 . ? -50.240 -11.674 -21.268 1.00 38.96 ? 758 HOH B O 1 HETATM 3711 O O . HOH J 6 . ? -3.047 -9.785 1.091 1.00 34.86 ? 759 HOH B O 1 HETATM 3712 O O . HOH J 6 . ? -19.223 -13.863 -12.056 1.00 42.72 ? 760 HOH B O 1 HETATM 3713 O O . HOH J 6 . ? -20.754 -7.271 2.679 1.00 39.23 ? 761 HOH B O 1 HETATM 3714 O O . HOH J 6 . ? -44.747 -3.817 -9.319 1.00 39.94 ? 762 HOH B O 1 HETATM 3715 O O . HOH J 6 . ? -23.684 -18.720 -12.835 1.00 39.84 ? 763 HOH B O 1 HETATM 3716 O O . HOH J 6 . ? -49.376 -5.375 -5.550 1.00 46.51 ? 764 HOH B O 1 HETATM 3717 O O . HOH J 6 . ? -5.469 0.879 -9.099 1.00 37.45 ? 765 HOH B O 1 HETATM 3718 O O . HOH J 6 . ? -24.454 -14.720 5.280 1.00 30.92 ? 766 HOH B O 1 HETATM 3719 O O . HOH J 6 . ? -20.174 -9.569 3.810 1.00 41.75 ? 767 HOH B O 1 HETATM 3720 O O . HOH J 6 . ? -28.679 -36.106 -14.281 1.00 42.05 ? 768 HOH B O 1 HETATM 3721 O O . HOH J 6 . ? 8.606 -0.633 -4.296 1.00 42.31 ? 769 HOH B O 1 HETATM 3722 O O . HOH J 6 . ? 5.139 -10.407 -1.872 1.00 42.48 ? 770 HOH B O 1 HETATM 3723 O O . HOH J 6 . ? -38.165 -4.937 3.486 1.00 39.68 ? 771 HOH B O 1 HETATM 3724 O O . HOH J 6 . ? -48.557 -28.747 -26.750 1.00 47.14 ? 772 HOH B O 1 HETATM 3725 O O . HOH J 6 . ? -4.229 -23.661 -7.995 1.00 38.68 ? 773 HOH B O 1 HETATM 3726 O O . HOH J 6 . ? 2.327 -16.106 0.936 1.00 39.12 ? 774 HOH B O 1 HETATM 3727 O O . HOH J 6 . ? -0.878 -1.903 -2.047 1.00 39.34 ? 775 HOH B O 1 HETATM 3728 O O . HOH J 6 . ? -7.902 1.252 -4.853 1.00 41.60 ? 776 HOH B O 1 HETATM 3729 O O . HOH J 6 . ? -5.874 -8.380 2.587 1.00 43.92 ? 777 HOH B O 1 HETATM 3730 O O . HOH J 6 . ? -59.067 -40.355 -18.535 1.00 40.28 ? 778 HOH B O 1 HETATM 3731 O O . HOH J 6 . ? -2.037 1.084 -10.814 1.00 44.69 ? 779 HOH B O 1 HETATM 3732 O O . HOH J 6 . ? -28.248 -11.114 -10.542 1.00 39.28 ? 780 HOH B O 1 HETATM 3733 O O . HOH J 6 . ? -35.393 -5.239 3.362 1.00 41.85 ? 781 HOH B O 1 HETATM 3734 O O . HOH J 6 . ? 7.795 -14.121 -1.413 1.00 47.94 ? 782 HOH B O 1 HETATM 3735 O O . HOH J 6 . ? -24.114 -19.978 -9.475 1.00 42.19 ? 783 HOH B O 1 HETATM 3736 O O . HOH J 6 . ? -9.611 -20.692 -1.275 1.00 38.46 ? 784 HOH B O 1 HETATM 3737 O O . HOH J 6 . ? 0.476 -19.318 -17.491 1.00 35.15 ? 785 HOH B O 1 HETATM 3738 O O . HOH J 6 . ? -1.851 -18.653 -18.082 1.00 34.35 ? 786 HOH B O 1 HETATM 3739 O O . HOH J 6 . ? 0.979 -3.616 -17.599 1.00 35.13 ? 787 HOH B O 1 HETATM 3740 O O . HOH J 6 . ? 3.569 1.903 -6.824 1.00 35.34 ? 788 HOH B O 1 HETATM 3741 O O . HOH J 6 . ? -31.632 -7.568 -8.770 1.00 40.67 ? 789 HOH B O 1 HETATM 3742 O O . HOH J 6 . ? -26.794 -19.113 -8.843 1.00 44.65 ? 790 HOH B O 1 HETATM 3743 O O . HOH J 6 . ? 2.352 -7.763 -0.103 1.00 40.75 ? 791 HOH B O 1 HETATM 3744 O O . HOH J 6 . ? -12.643 -20.793 -1.436 1.00 37.66 ? 792 HOH B O 1 HETATM 3745 O O . HOH J 6 . ? -4.772 1.209 -2.158 1.00 45.84 ? 793 HOH B O 1 HETATM 3746 O O . HOH J 6 . ? -52.364 -11.858 -23.569 1.00 55.22 ? 794 HOH B O 1 HETATM 3747 O O . HOH J 6 . ? -1.264 -9.740 -20.489 1.00 48.75 ? 795 HOH B O 1 HETATM 3748 O O . HOH J 6 . ? 4.984 -7.928 1.163 1.00 43.12 ? 796 HOH B O 1 HETATM 3749 O O . HOH J 6 . ? -61.763 -36.776 -18.998 1.00 47.67 ? 797 HOH B O 1 HETATM 3750 O O . HOH J 6 . ? -57.630 -30.284 -24.069 1.00 30.07 ? 798 HOH B O 1 HETATM 3751 O O . HOH J 6 . ? -46.755 -22.505 -26.790 1.00 54.13 ? 799 HOH B O 1 HETATM 3752 O O . HOH J 6 . ? -27.388 -17.047 -10.252 1.00 39.16 ? 800 HOH B O 1 HETATM 3753 O O . HOH J 6 . ? -29.152 -50.830 3.411 1.00 50.74 ? 801 HOH B O 1 HETATM 3754 O O . HOH J 6 . ? -20.243 -12.844 6.523 1.00 47.88 ? 802 HOH B O 1 HETATM 3755 O O . HOH J 6 . ? -12.663 -23.844 -8.688 1.00 47.06 ? 803 HOH B O 1 HETATM 3756 O O . HOH J 6 . ? 6.179 -3.822 3.256 1.00 33.81 ? 804 HOH B O 1 HETATM 3757 O O . HOH J 6 . ? -43.990 -6.067 -26.217 1.00 37.99 ? 805 HOH B O 1 HETATM 3758 O O . HOH J 6 . ? -47.640 -35.274 -25.344 1.00 46.72 ? 806 HOH B O 1 HETATM 3759 O O . HOH J 6 . ? -0.000 -5.582 -19.452 0.50 44.75 ? 807 HOH B O 1 HETATM 3760 O O . HOH J 6 . ? -31.154 -37.161 -14.386 1.00 48.03 ? 808 HOH B O 1 HETATM 3761 O O . HOH J 6 . ? -21.871 -23.940 -8.522 1.00 44.78 ? 809 HOH B O 1 HETATM 3762 O O . HOH J 6 . ? -52.779 -8.507 -7.507 1.00 46.45 ? 810 HOH B O 1 HETATM 3763 O O . HOH J 6 . ? -19.866 -10.825 -15.874 1.00 50.32 ? 811 HOH B O 1 HETATM 3764 O O . HOH J 6 . ? -59.756 -38.534 -25.141 1.00 41.02 ? 812 HOH B O 1 HETATM 3765 O O . HOH J 6 . ? -29.070 -7.277 -11.450 1.00 54.18 ? 813 HOH B O 1 HETATM 3766 O O . HOH J 6 . ? -43.594 -27.788 -23.321 1.00 45.83 ? 814 HOH B O 1 HETATM 3767 O O . HOH J 6 . ? -26.590 -1.803 0.676 1.00 43.72 ? 815 HOH B O 1 HETATM 3768 O O . HOH J 6 . ? -3.036 -22.545 -4.416 1.00 41.54 ? 816 HOH B O 1 HETATM 3769 O O . HOH J 6 . ? -42.582 -49.878 2.457 1.00 47.20 ? 817 HOH B O 1 HETATM 3770 O O . HOH J 6 . ? -11.770 0.722 -15.183 1.00 45.13 ? 818 HOH B O 1 HETATM 3771 O O . HOH J 6 . ? -48.354 -5.264 -9.685 1.00 44.24 ? 819 HOH B O 1 HETATM 3772 O O . HOH J 6 . ? -48.554 -14.929 -20.357 1.00 26.23 ? 820 HOH B O 1 HETATM 3773 O O . HOH J 6 . ? -68.215 -30.342 -16.247 1.00 43.86 ? 821 HOH B O 1 HETATM 3774 O O . HOH J 6 . ? 11.618 -6.767 -3.381 1.00 45.16 ? 822 HOH B O 1 HETATM 3775 O O . HOH J 6 . ? -24.717 -11.437 7.329 1.00 48.16 ? 823 HOH B O 1 HETATM 3776 O O . HOH J 6 . ? 2.194 1.259 -11.523 1.00 43.67 ? 824 HOH B O 1 HETATM 3777 O O . HOH J 6 . ? -22.543 -23.365 -3.873 1.00 35.68 ? 825 HOH B O 1 HETATM 3778 O O . HOH J 6 . ? -2.591 -10.749 -18.749 1.00 39.47 ? 826 HOH B O 1 HETATM 3779 O O . HOH J 6 . ? -42.717 -22.468 -27.252 1.00 41.28 ? 827 HOH B O 1 HETATM 3780 O O . HOH J 6 . ? -14.346 3.655 -8.112 1.00 52.75 ? 828 HOH B O 1 HETATM 3781 O O . HOH J 6 . ? -49.677 -31.444 -26.125 1.00 47.09 ? 829 HOH B O 1 HETATM 3782 O O . HOH J 6 . ? -53.108 -34.102 -24.732 1.00 53.82 ? 830 HOH B O 1 HETATM 3783 O O . HOH J 6 . ? -30.938 -9.598 -10.002 1.00 34.69 ? 831 HOH B O 1 HETATM 3784 O O . HOH J 6 . ? -51.050 -10.153 -17.636 1.00 36.38 ? 832 HOH B O 1 HETATM 3785 O O . HOH J 6 . ? -20.518 -20.900 -13.817 1.00 44.62 ? 833 HOH B O 1 HETATM 3786 O O . HOH J 6 . ? -1.286 -13.885 -16.842 1.00 36.46 ? 834 HOH B O 1 HETATM 3787 O O . HOH J 6 . ? -48.940 -4.651 -12.671 1.00 41.71 ? 835 HOH B O 1 HETATM 3788 O O . HOH J 6 . ? -39.696 -3.891 -8.984 1.00 36.58 ? 836 HOH B O 1 HETATM 3789 O O . HOH J 6 . ? -46.471 -21.856 -29.011 1.00 55.64 ? 837 HOH B O 1 HETATM 3790 O O . HOH J 6 . ? -9.515 -22.396 -10.057 1.00 48.78 ? 838 HOH B O 1 HETATM 3791 O O . HOH J 6 . ? -27.634 -0.704 -9.586 1.00 39.91 ? 839 HOH B O 1 HETATM 3792 O O . HOH J 6 . ? -10.043 -22.901 -7.388 1.00 48.24 ? 840 HOH B O 1 HETATM 3793 O O . HOH J 6 . ? -16.546 -24.652 -6.550 1.00 48.20 ? 841 HOH B O 1 HETATM 3794 O O . HOH J 6 . ? -29.601 -13.118 -10.831 1.00 52.33 ? 842 HOH B O 1 HETATM 3795 O O . HOH J 6 . ? -37.735 -38.688 -14.532 1.00 23.88 ? 843 HOH B O 1 HETATM 3796 O O . HOH J 6 . ? -23.076 -22.437 -6.369 1.00 28.22 ? 844 HOH B O 1 HETATM 3797 O O . HOH J 6 . ? -44.633 -40.614 -20.675 1.00 40.71 ? 845 HOH B O 1 HETATM 3798 O O . HOH J 6 . ? -14.813 -7.195 -21.101 1.00 44.34 ? 846 HOH B O 1 HETATM 3799 O O . HOH J 6 . ? -40.075 -36.667 -20.784 1.00 39.92 ? 847 HOH B O 1 HETATM 3800 O O . HOH J 6 . ? -44.661 -3.567 -3.171 1.00 49.46 ? 848 HOH B O 1 HETATM 3801 O O . HOH J 6 . ? -27.099 -2.326 4.937 1.00 41.88 ? 849 HOH B O 1 HETATM 3802 O O . HOH J 6 . ? -56.088 -39.325 -22.425 1.00 46.41 ? 850 HOH B O 1 HETATM 3803 O O . HOH J 6 . ? -65.649 -33.090 -18.501 1.00 52.77 ? 851 HOH B O 1 HETATM 3804 O O . HOH J 6 . ? -62.898 -34.726 -20.386 1.00 50.90 ? 852 HOH B O 1 HETATM 3805 O O . HOH J 6 . ? -29.684 -5.593 3.182 1.00 52.37 ? 853 HOH B O 1 HETATM 3806 O O . HOH K 6 . ? -55.111 -21.362 -5.365 1.00 24.30 ? 201 HOH C O 1 HETATM 3807 O O . HOH K 6 . ? -50.835 -16.687 3.622 1.00 25.86 ? 202 HOH C O 1 HETATM 3808 O O . HOH K 6 . ? -56.454 -28.384 -5.021 1.00 26.36 ? 203 HOH C O 1 HETATM 3809 O O . HOH K 6 . ? -53.845 -27.771 -3.554 1.00 27.17 ? 204 HOH C O 1 HETATM 3810 O O . HOH K 6 . ? -51.918 -18.771 1.193 1.00 32.70 ? 205 HOH C O 1 HETATM 3811 O O . HOH K 6 . ? -56.231 -22.577 -7.154 1.00 38.68 ? 206 HOH C O 1 HETATM 3812 O O . HOH K 6 . ? -57.668 -26.397 -6.789 1.00 29.33 ? 207 HOH C O 1 HETATM 3813 O O . HOH K 6 . ? -56.706 -10.482 -5.930 1.00 33.08 ? 208 HOH C O 1 HETATM 3814 O O . HOH K 6 . ? -51.223 -5.021 2.663 1.00 53.89 ? 209 HOH C O 1 HETATM 3815 O O . HOH K 6 . ? -53.809 -11.996 0.500 1.00 37.44 ? 210 HOH C O 1 HETATM 3816 O O . HOH K 6 . ? -59.538 -31.676 -10.963 1.00 30.01 ? 211 HOH C O 1 HETATM 3817 O O . HOH K 6 . ? -58.231 -30.253 -4.238 1.00 41.69 ? 212 HOH C O 1 HETATM 3818 O O . HOH K 6 . ? -53.899 -18.476 -1.363 1.00 38.24 ? 213 HOH C O 1 HETATM 3819 O O . HOH K 6 . ? -55.780 -9.050 -8.519 1.00 22.54 ? 214 HOH C O 1 HETATM 3820 O O . HOH K 6 . ? -54.123 -43.145 -18.195 1.00 41.38 ? 215 HOH C O 1 HETATM 3821 O O . HOH K 6 . ? -57.534 -36.740 -7.754 1.00 26.44 ? 216 HOH C O 1 HETATM 3822 O O . HOH K 6 . ? -60.787 -38.432 -11.134 1.00 31.49 ? 217 HOH C O 1 HETATM 3823 O O . HOH K 6 . ? -57.511 -39.077 -6.131 1.00 34.80 ? 218 HOH C O 1 HETATM 3824 O O . HOH K 6 . ? -60.034 -35.656 -7.078 1.00 40.86 ? 219 HOH C O 1 HETATM 3825 O O . HOH K 6 . ? -60.451 -33.713 -5.481 1.00 38.67 ? 220 HOH C O 1 HETATM 3826 O O . HOH K 6 . ? -54.010 -17.381 0.862 1.00 48.72 ? 221 HOH C O 1 HETATM 3827 O O . HOH K 6 . ? -55.080 -42.020 -14.156 1.00 21.60 ? 222 HOH C O 1 HETATM 3828 O O . HOH K 6 . ? -60.088 -36.916 -2.689 1.00 48.51 ? 223 HOH C O 1 HETATM 3829 O O . HOH K 6 . ? -61.061 -37.216 -4.715 1.00 46.46 ? 224 HOH C O 1 HETATM 3830 O O . HOH K 6 . ? -56.196 -42.736 -16.144 1.00 48.27 ? 225 HOH C O 1 HETATM 3831 O O . HOH K 6 . ? -53.347 -16.358 3.226 1.00 43.91 ? 226 HOH C O 1 HETATM 3832 O O . HOH K 6 . ? -54.241 -14.462 1.864 1.00 49.95 ? 227 HOH C O 1 HETATM 3833 O O . HOH K 6 . ? -61.369 -32.877 -7.493 1.00 47.59 ? 228 HOH C O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLU A 3 ? 0.8877 0.6743 0.7641 -0.0790 0.0900 0.1232 3 GLU A N 2 C CA . GLU A 3 ? 0.8398 0.6277 0.7465 -0.0778 0.0593 0.1260 3 GLU A CA 3 C C . GLU A 3 ? 0.7762 0.5810 0.7402 -0.0868 0.0563 0.1246 3 GLU A C 4 O O . GLU A 3 ? 0.8104 0.6199 0.7904 -0.0925 0.0792 0.1277 3 GLU A O 5 C CB . GLU A 3 ? 0.8085 0.6064 0.7153 -0.0682 0.0405 0.1102 3 GLU A CB 6 C CG . GLU A 3 ? 0.7876 0.6173 0.7203 -0.0658 0.0543 0.0966 3 GLU A CG 7 C CD . GLU A 3 ? 0.8385 0.6639 0.7265 -0.0613 0.0700 0.0902 3 GLU A CD 8 O OE1 . GLU A 3 ? 0.8597 0.7062 0.7686 -0.0597 0.0927 0.0828 3 GLU A OE1 9 O OE2 . GLU A 3 ? 0.8398 0.6393 0.6760 -0.0585 0.0564 0.0901 3 GLU A OE2 10 N N . GLU A 4 ? 0.6698 0.4768 0.6576 -0.0806 0.0388 0.1092 4 GLU A N 11 C CA . GLU A 4 ? 0.5701 0.4091 0.6293 -0.0779 0.0325 0.1021 4 GLU A CA 12 C C . GLU A 4 ? 0.4054 0.2852 0.5115 -0.0676 0.0222 0.0840 4 GLU A C 13 O O . GLU A 4 ? 0.3366 0.2430 0.4904 -0.0652 0.0272 0.0770 4 GLU A O 14 C CB . GLU A 4 ? 0.6166 0.4439 0.6884 -0.0766 0.0079 0.1046 4 GLU A CB 15 C CG . GLU A 4 ? 0.6017 0.4568 0.7405 -0.0742 -0.0025 0.0974 4 GLU A CG 16 C CD . GLU A 4 ? 0.6605 0.5074 0.8131 -0.0720 -0.0294 0.0979 4 GLU A CD 17 O OE1 . GLU A 4 ? 0.6417 0.4709 0.7626 -0.0698 -0.0452 0.0996 4 GLU A OE1 18 O OE2 . GLU A 4 ? 0.6766 0.5363 0.8755 -0.0715 -0.0369 0.0960 4 GLU A OE2 19 N N . HIS A 5 ? 0.2598 0.1412 0.3506 -0.0614 0.0055 0.0765 5 HIS A N 20 C CA . HIS A 5 ? 0.2128 0.1247 0.3328 -0.0535 -0.0019 0.0598 5 HIS A CA 21 C C . HIS A 5 ? 0.2538 0.1640 0.3335 -0.0483 -0.0042 0.0548 5 HIS A C 22 O O . HIS A 5 ? 0.2340 0.1193 0.2752 -0.0493 -0.0135 0.0618 5 HIS A O 23 C CB . HIS A 5 ? 0.1894 0.1161 0.3454 -0.0463 -0.0276 0.0448 5 HIS A CB 24 C CG . HIS A 5 ? 0.1943 0.1276 0.3879 -0.0471 -0.0303 0.0455 5 HIS A CG 25 N ND1 . HIS A 5 ? 0.1953 0.1459 0.4211 -0.0462 -0.0219 0.0424 5 HIS A ND1 26 C CD2 . HIS A 5 ? 0.2120 0.1365 0.4199 -0.0477 -0.0430 0.0490 5 HIS A CD2 27 C CE1 . HIS A 5 ? 0.2226 0.1738 0.4811 -0.0464 -0.0296 0.0445 5 HIS A CE1 28 N NE2 . HIS A 5 ? 0.2096 0.1457 0.4572 -0.0478 -0.0414 0.0486 5 HIS A NE2 29 N N . VAL A 6 ? 0.1777 0.1133 0.2660 -0.0421 0.0010 0.0423 6 VAL A N 30 C CA . VAL A 6 ? 0.1694 0.1086 0.2261 -0.0360 -0.0013 0.0355 6 VAL A CA 31 C C . VAL A 6 ? 0.1444 0.1099 0.2234 -0.0275 -0.0115 0.0182 6 VAL A C 32 O O . VAL A 6 ? 0.1513 0.1329 0.2547 -0.0264 -0.0085 0.0122 6 VAL A O 33 C CB . VAL A 6 ? 0.1929 0.1282 0.2221 -0.0381 0.0221 0.0406 6 VAL A CB 34 C CG1 . VAL A 6 ? 0.2179 0.1544 0.2175 -0.0321 0.0159 0.0338 6 VAL A CG1 35 C CG2 . VAL A 6 ? 0.2421 0.1437 0.2371 -0.0470 0.0388 0.0574 6 VAL A CG2 36 N N . ILE A 7 ? 0.1435 0.1096 0.2144 -0.0219 -0.0239 0.0108 7 ILE A N 37 C CA . ILE A 7 ? 0.1062 0.0914 0.1868 -0.0146 -0.0268 -0.0043 7 ILE A CA 38 C C . ILE A 7 ? 0.1306 0.1195 0.1886 -0.0119 -0.0212 -0.0044 7 ILE A C 39 O O . ILE A 7 ? 0.1304 0.1062 0.1753 -0.0124 -0.0271 0.0006 7 ILE A O 40 C CB . ILE A 7 ? 0.1248 0.1090 0.2241 -0.0098 -0.0395 -0.0150 7 ILE A CB 41 C CG1 . ILE A 7 ? 0.1333 0.1119 0.2573 -0.0121 -0.0481 -0.0164 7 ILE A CG1 42 C CG2 . ILE A 7 ? 0.1315 0.1291 0.2292 -0.0028 -0.0352 -0.0299 7 ILE A CG2 43 C CD1 . ILE A 7 ? 0.1278 0.1017 0.2735 -0.0070 -0.0602 -0.0280 7 ILE A CD1 44 N N . ILE A 8 ? 0.1148 0.1179 0.1696 -0.0095 -0.0136 -0.0094 8 ILE A N 45 C CA . ILE A 8 ? 0.1047 0.1115 0.1424 -0.0074 -0.0085 -0.0091 8 ILE A CA 46 C C . ILE A 8 ? 0.1141 0.1336 0.1547 -0.0024 -0.0074 -0.0189 8 ILE A C 47 O O . ILE A 8 ? 0.1310 0.1555 0.1729 -0.0013 -0.0075 -0.0240 8 ILE A O 48 C CB . ILE A 8 ? 0.1115 0.1185 0.1377 -0.0100 0.0029 -0.0030 8 ILE A CB 49 C CG1 . ILE A 8 ? 0.1464 0.1343 0.1585 -0.0156 0.0094 0.0073 8 ILE A CG1 50 C CG2 . ILE A 8 ? 0.1225 0.1326 0.1338 -0.0073 0.0055 -0.0040 8 ILE A CG2 51 C CD1 . ILE A 8 ? 0.1911 0.1769 0.1947 -0.0178 0.0277 0.0113 8 ILE A CD1 52 N N . GLN A 9 ? 0.0890 0.1096 0.1299 0.0002 -0.0070 -0.0208 9 GLN A N 53 C CA . GLN A 9 ? 0.1063 0.1357 0.1449 0.0035 0.0008 -0.0267 9 GLN A CA 54 C C . GLN A 9 ? 0.0999 0.1321 0.1262 0.0022 0.0044 -0.0202 9 GLN A C 55 O O . GLN A 9 ? 0.0987 0.1266 0.1263 0.0017 0.0012 -0.0159 9 GLN A O 56 C CB . GLN A 9 ? 0.0939 0.1243 0.1532 0.0066 0.0029 -0.0322 9 GLN A CB 57 C CG . GLN A 9 ? 0.0957 0.1326 0.1546 0.0088 0.0174 -0.0361 9 GLN A CG 58 C CD . GLN A 9 ? 0.0876 0.1272 0.1831 0.0115 0.0223 -0.0406 9 GLN A CD 59 O OE1 . GLN A 9 ? 0.1008 0.1374 0.2203 0.0136 0.0171 -0.0465 9 GLN A OE1 60 N NE2 . GLN A 9 ? 0.1128 0.1581 0.2208 0.0113 0.0317 -0.0377 9 GLN A NE2 61 N N . ALA A 10 ? 0.1013 0.1374 0.1169 0.0020 0.0072 -0.0199 10 ALA A N 62 C CA . ALA A 10 ? 0.1120 0.1503 0.1213 0.0012 0.0095 -0.0145 10 ALA A CA 63 C C . ALA A 10 ? 0.1253 0.1665 0.1269 0.0024 0.0136 -0.0148 10 ALA A C 64 O O . ALA A 10 ? 0.1478 0.1857 0.1374 0.0031 0.0139 -0.0183 10 ALA A O 65 C CB . ALA A 10 ? 0.0932 0.1321 0.1061 -0.0005 0.0086 -0.0123 10 ALA A CB 66 N N . GLU A 11 ? 0.0879 0.1306 0.0923 0.0022 0.0158 -0.0106 11 GLU A N 67 C CA . GLU A 11 ? 0.1127 0.1565 0.1130 0.0021 0.0217 -0.0080 11 GLU A CA 68 C C . GLU A 11 ? 0.0758 0.1198 0.0765 0.0015 0.0179 -0.0026 11 GLU A C 69 O O . GLU A 11 ? 0.1010 0.1433 0.1064 0.0018 0.0142 -0.0027 11 GLU A O 70 C CB . GLU A 11 ? 0.1278 0.1741 0.1471 0.0025 0.0283 -0.0085 11 GLU A CB 71 C CG . GLU A 11 ? 0.1579 0.2045 0.1877 0.0041 0.0335 -0.0156 11 GLU A CG 72 C CD . GLU A 11 ? 0.1074 0.1574 0.1739 0.0049 0.0353 -0.0164 11 GLU A CD 73 O OE1 . GLU A 11 ? 0.1308 0.1832 0.2135 0.0036 0.0369 -0.0114 11 GLU A OE1 74 O OE2 . GLU A 11 ? 0.1187 0.1682 0.2043 0.0066 0.0327 -0.0220 11 GLU A OE2 75 N N . PHE A 12 ? 0.0958 0.1374 0.0874 0.0006 0.0192 0.0019 12 PHE A N 76 C CA . PHE A 12 ? 0.1029 0.1443 0.1019 0.0002 0.0155 0.0070 12 PHE A CA 77 C C . PHE A 12 ? 0.1369 0.1737 0.1298 -0.0022 0.0205 0.0145 12 PHE A C 78 O O . PHE A 12 ? 0.1275 0.1570 0.0994 -0.0036 0.0275 0.0160 12 PHE A O 79 C CB . PHE A 12 ? 0.0835 0.1244 0.0866 0.0012 0.0074 0.0065 12 PHE A CB 80 C CG . PHE A 12 ? 0.1222 0.1571 0.1156 0.0005 -0.0015 0.0094 12 PHE A CG 81 C CD1 . PHE A 12 ? 0.1601 0.1860 0.1435 -0.0011 -0.0070 0.0172 12 PHE A CD1 82 C CD2 . PHE A 12 ? 0.1621 0.1964 0.1579 0.0010 -0.0081 0.0051 12 PHE A CD2 83 C CE1 . PHE A 12 ? 0.1627 0.1750 0.1308 -0.0021 -0.0217 0.0206 12 PHE A CE1 84 C CE2 . PHE A 12 ? 0.1566 0.1800 0.1447 0.0004 -0.0236 0.0072 12 PHE A CE2 85 C CZ . PHE A 12 ? 0.1752 0.1856 0.1458 -0.0011 -0.0320 0.0149 12 PHE A CZ 86 N N . TYR A 13 ? 0.1052 0.1426 0.1135 -0.0028 0.0179 0.0191 13 TYR A N 87 C CA . TYR A 13 ? 0.1300 0.1608 0.1347 -0.0060 0.0215 0.0291 13 TYR A CA 88 C C . TYR A 13 ? 0.1370 0.1656 0.1538 -0.0053 0.0088 0.0322 13 TYR A C 89 O O . TYR A 13 ? 0.1108 0.1431 0.1455 -0.0026 0.0037 0.0262 13 TYR A O 90 C CB . TYR A 13 ? 0.1452 0.1794 0.1710 -0.0084 0.0345 0.0324 13 TYR A CB 91 C CG . TYR A 13 ? 0.1717 0.1961 0.1888 -0.0133 0.0452 0.0449 13 TYR A CG 92 C CD1 . TYR A 13 ? 0.2234 0.2364 0.2089 -0.0160 0.0633 0.0484 13 TYR A CD1 93 C CD2 . TYR A 13 ? 0.1812 0.2027 0.2161 -0.0154 0.0380 0.0534 13 TYR A CD2 94 C CE1 . TYR A 13 ? 0.2779 0.2754 0.2453 -0.0217 0.0739 0.0599 13 TYR A CE1 95 C CE2 . TYR A 13 ? 0.2279 0.2370 0.2528 -0.0212 0.0482 0.0675 13 TYR A CE2 96 C CZ . TYR A 13 ? 0.2892 0.2849 0.2770 -0.0247 0.0679 0.0718 13 TYR A CZ 97 O OH . TYR A 13 ? 0.3570 0.3354 0.3255 -0.0313 0.0758 0.0822 13 TYR A OH 98 N N . LEU A 14 ? 0.1220 0.1400 0.1255 -0.0075 0.0028 0.0409 14 LEU A N 99 C CA . LEU A 14 ? 0.1067 0.1216 0.1270 -0.0061 -0.0113 0.0433 14 LEU A CA 100 C C . LEU A 14 ? 0.1870 0.1904 0.2068 -0.0107 -0.0128 0.0572 14 LEU A C 101 O O . LEU A 14 ? 0.1642 0.1528 0.1532 -0.0153 -0.0093 0.0678 14 LEU A O 102 C CB . LEU A 14 ? 0.1142 0.1240 0.1289 -0.0043 -0.0252 0.0417 14 LEU A CB 103 C CG . LEU A 14 ? 0.1150 0.1212 0.1569 -0.0022 -0.0409 0.0432 14 LEU A CG 104 C CD1 . LEU A 14 ? 0.1462 0.1641 0.2192 0.0029 -0.0350 0.0308 14 LEU A CD1 105 C CD2 . LEU A 14 ? 0.1608 0.1586 0.2021 -0.0017 -0.0587 0.0444 14 LEU A CD2 106 N N . ASN A 15 ? 0.1165 0.1226 0.1665 -0.0097 -0.0178 0.0571 15 ASN A N 107 C CA . ASN A 15 ? 0.1400 0.1347 0.1987 -0.0140 -0.0226 0.0710 15 ASN A CA 108 C C . ASN A 15 ? 0.1711 0.1596 0.2459 -0.0108 -0.0426 0.0704 15 ASN A C 109 O O . ASN A 15 ? 0.1667 0.1637 0.2602 -0.0045 -0.0469 0.0563 15 ASN A O 110 C CB . ASN A 15 ? 0.1401 0.1405 0.2313 -0.0150 -0.0179 0.0704 15 ASN A CB 111 C CG . ASN A 15 ? 0.2316 0.2338 0.3225 -0.0207 0.0020 0.0786 15 ASN A CG 112 O OD1 . ASN A 15 ? 0.2429 0.2350 0.3031 -0.0257 0.0150 0.0894 15 ASN A OD1 113 N ND2 . ASN A 15 ? 0.1952 0.2063 0.3208 -0.0201 0.0041 0.0730 15 ASN A ND2 114 N N . PRO A 16 ? 0.1854 0.1566 0.2553 -0.0153 -0.0536 0.0859 16 PRO A N 115 C CA . PRO A 16 ? 0.1990 0.1532 0.2423 -0.0240 -0.0450 0.1053 16 PRO A CA 116 C C . PRO A 16 ? 0.2498 0.1860 0.2370 -0.0270 -0.0430 0.1105 16 PRO A C 117 O O . PRO A 16 ? 0.2818 0.1985 0.2339 -0.0324 -0.0313 0.1210 16 PRO A O 118 C CB . PRO A 16 ? 0.2150 0.1597 0.2768 -0.0253 -0.0604 0.1103 16 PRO A CB 119 C CG . PRO A 16 ? 0.2249 0.1728 0.3045 -0.0194 -0.0811 0.0987 16 PRO A CG 120 C CD . PRO A 16 ? 0.1769 0.1431 0.2736 -0.0120 -0.0744 0.0836 16 PRO A CD 121 N N . ASP A 17 ? 0.2264 0.1664 0.2045 -0.0226 -0.0530 0.1009 17 ASP A N 122 C CA . ASP A 17 ? 0.2746 0.1947 0.2016 -0.0238 -0.0570 0.1011 17 ASP A CA 123 C C . ASP A 17 ? 0.2867 0.2004 0.1718 -0.0272 -0.0289 0.1030 17 ASP A C 124 O O . ASP A 17 ? 0.3337 0.2255 0.1717 -0.0279 -0.0260 0.1050 17 ASP A O 125 C CB . ASP A 17 ? 0.2721 0.2018 0.2129 -0.0182 -0.0733 0.0881 17 ASP A CB 126 C CG . ASP A 17 ? 0.2749 0.2140 0.2683 -0.0139 -0.0927 0.0819 17 ASP A CG 127 O OD1 . ASP A 17 ? 0.2191 0.1778 0.2541 -0.0097 -0.0864 0.0763 17 ASP A OD1 128 O OD2 . ASP A 17 ? 0.3258 0.2508 0.3200 -0.0150 -0.1125 0.0809 17 ASP A OD2 129 N N . GLN A 18 ? 0.2533 0.1893 0.1648 -0.0278 -0.0074 0.0993 18 GLN A N 130 C CA . GLN A 18 ? 0.2654 0.2019 0.1558 -0.0300 0.0223 0.0971 18 GLN A CA 131 C C . GLN A 18 ? 0.3200 0.2522 0.1762 -0.0260 0.0205 0.0849 18 GLN A C 132 O O . GLN A 18 ? 0.3517 0.2773 0.1797 -0.0258 0.0356 0.0818 18 GLN A O 133 C CB . GLN A 18 ? 0.3213 0.2429 0.1923 -0.0341 0.0415 0.1106 18 GLN A CB 134 C CG . GLN A 18 ? 0.3615 0.2763 0.2621 -0.0405 0.0426 0.1174 18 GLN A CG 135 C CD . GLN A 18 ? 0.4893 0.3982 0.3801 -0.0533 0.0617 0.1273 18 GLN A CD 136 O OE1 . GLN A 18 ? 0.5711 0.4961 0.5075 -0.0534 0.0781 0.1244 18 GLN A OE1 137 N NE2 . GLN A 18 ? 0.5224 0.4209 0.3745 -0.0522 0.0629 0.1421 18 GLN A NE2 138 N N . SER A 19 ? 0.2537 0.1994 0.1304 -0.0209 0.0001 0.0741 19 SER A N 139 C CA . SER A 19 ? 0.2975 0.2408 0.1527 -0.0178 -0.0049 0.0626 19 SER A CA 140 C C . SER A 19 ? 0.2340 0.2041 0.1195 -0.0141 0.0116 0.0496 19 SER A C 141 O O . SER A 19 ? 0.2376 0.2293 0.1663 -0.0115 0.0100 0.0452 19 SER A O 142 C CB . SER A 19 ? 0.3532 0.2965 0.2250 -0.0144 -0.0356 0.0588 19 SER A CB 143 O OG . SER A 19 ? 0.5088 0.4275 0.3630 -0.0166 -0.0557 0.0689 19 SER A OG 144 N N . GLY A 20 ? 0.2614 0.2254 0.1204 -0.0138 0.0258 0.0429 20 GLY A N 145 C CA . GLY A 20 ? 0.2633 0.2484 0.1502 -0.0102 0.0361 0.0307 20 GLY A CA 146 C C . GLY A 20 ? 0.3495 0.3267 0.2135 -0.0076 0.0275 0.0204 20 GLY A C 147 O O . GLY A 20 ? 0.4669 0.4216 0.2914 -0.0083 0.0214 0.0206 20 GLY A O 148 N N . GLU A 21 ? 0.2013 0.1971 0.0962 -0.0043 0.0237 0.0112 21 GLU A N 149 C CA A GLU A 21 ? 0.2143 0.2048 0.0982 -0.0021 0.0148 0.0015 21 GLU A CA 150 C CA B GLU A 21 ? 0.2115 0.2013 0.0936 -0.0022 0.0158 0.0014 21 GLU A CA 151 C C . GLU A 21 ? 0.1799 0.1860 0.0896 0.0002 0.0263 -0.0072 21 GLU A C 152 O O . GLU A 21 ? 0.1510 0.1732 0.0929 0.0005 0.0310 -0.0055 21 GLU A O 153 C CB A GLU A 21 ? 0.2081 0.2023 0.1109 -0.0014 -0.0086 0.0015 21 GLU A CB 154 C CB B GLU A 21 ? 0.2346 0.2235 0.1279 -0.0016 -0.0095 0.0015 21 GLU A CB 155 C CG A GLU A 21 ? 0.2241 0.2102 0.1212 0.0000 -0.0220 -0.0071 21 GLU A CG 156 C CG B GLU A 21 ? 0.3020 0.2660 0.1642 -0.0036 -0.0284 0.0085 21 GLU A CG 157 C CD A GLU A 21 ? 0.2059 0.2011 0.1415 0.0003 -0.0398 -0.0070 21 GLU A CD 158 C CD B GLU A 21 ? 0.3027 0.2605 0.1797 -0.0026 -0.0570 0.0056 21 GLU A CD 159 O OE1 A GLU A 21 ? 0.2286 0.2120 0.1645 -0.0004 -0.0600 -0.0029 21 GLU A OE1 160 O OE1 B GLU A 21 ? 0.2550 0.2322 0.1734 -0.0009 -0.0577 -0.0002 21 GLU A OE1 161 O OE2 A GLU A 21 ? 0.1734 0.1851 0.1406 0.0009 -0.0331 -0.0104 21 GLU A OE2 162 O OE2 B GLU A 21 ? 0.2496 0.1832 0.1043 -0.0039 -0.0767 0.0098 21 GLU A OE2 163 N N . PHE A 22 ? 0.1848 0.1820 0.0794 0.0020 0.0269 -0.0167 22 PHE A N 164 C CA . PHE A 22 ? 0.1763 0.1848 0.0969 0.0043 0.0345 -0.0250 22 PHE A CA 165 C C . PHE A 22 ? 0.1825 0.1830 0.0961 0.0058 0.0202 -0.0334 22 PHE A C 166 O O . PHE A 22 ? 0.2302 0.2090 0.1067 0.0065 0.0161 -0.0392 22 PHE A O 167 C CB . PHE A 22 ? 0.2085 0.2135 0.1276 0.0060 0.0562 -0.0285 22 PHE A CB 168 C CG . PHE A 22 ? 0.2100 0.2240 0.1628 0.0091 0.0617 -0.0367 22 PHE A CG 169 C CD1 . PHE A 22 ? 0.1847 0.2127 0.1795 0.0089 0.0670 -0.0332 22 PHE A CD1 170 C CD2 . PHE A 22 ? 0.1942 0.1996 0.1390 0.0118 0.0577 -0.0482 22 PHE A CD2 171 C CE1 . PHE A 22 ? 0.1606 0.1936 0.1895 0.0112 0.0669 -0.0399 22 PHE A CE1 172 C CE2 . PHE A 22 ? 0.1962 0.2086 0.1761 0.0143 0.0605 -0.0552 22 PHE A CE2 173 C CZ . PHE A 22 ? 0.2029 0.2290 0.2253 0.0139 0.0646 -0.0504 22 PHE A CZ 174 N N . MET A 23 ? 0.1286 0.1420 0.0744 0.0058 0.0118 -0.0337 23 MET A N 175 C CA . MET A 23 ? 0.1589 0.1660 0.1083 0.0063 -0.0025 -0.0400 23 MET A CA 176 C C . MET A 23 ? 0.1403 0.1578 0.1221 0.0062 -0.0023 -0.0410 23 MET A C 177 O O . MET A 23 ? 0.1477 0.1752 0.1460 0.0052 0.0039 -0.0351 23 MET A O 178 C CB . MET A 23 ? 0.1893 0.1941 0.1436 0.0042 -0.0206 -0.0351 23 MET A CB 179 C CG . MET A 23 ? 0.1766 0.1983 0.1631 0.0022 -0.0181 -0.0262 23 MET A CG 180 S SD . MET A 23 ? 0.1629 0.1925 0.1853 0.0001 -0.0183 -0.0254 23 MET A SD 181 C CE . MET A 23 ? 0.1613 0.1832 0.2021 -0.0009 -0.0393 -0.0288 23 MET A CE 182 N N . PHE A 24 ? 0.1429 0.1532 0.1305 0.0069 -0.0117 -0.0483 24 PHE A N 183 C CA . PHE A 24 ? 0.1375 0.1531 0.1547 0.0054 -0.0150 -0.0467 24 PHE A CA 184 C C . PHE A 24 ? 0.1074 0.1228 0.1429 0.0020 -0.0275 -0.0425 24 PHE A C 185 O O . PHE A 24 ? 0.1480 0.1545 0.1783 0.0024 -0.0408 -0.0476 24 PHE A O 186 C CB . PHE A 24 ? 0.1784 0.1860 0.2001 0.0088 -0.0153 -0.0585 24 PHE A CB 187 C CG . PHE A 24 ? 0.1416 0.1545 0.1765 0.0111 -0.0035 -0.0599 24 PHE A CG 188 C CD1 . PHE A 24 ? 0.1878 0.2021 0.2110 0.0136 0.0122 -0.0629 24 PHE A CD1 189 C CD2 . PHE A 24 ? 0.1528 0.1665 0.2165 0.0104 -0.0095 -0.0574 24 PHE A CD2 190 C CE1 . PHE A 24 ? 0.1784 0.1986 0.2287 0.0157 0.0220 -0.0646 24 PHE A CE1 191 C CE2 . PHE A 24 ? 0.1279 0.1443 0.2131 0.0128 -0.0046 -0.0590 24 PHE A CE2 192 C CZ . PHE A 24 ? 0.1469 0.1685 0.2308 0.0157 0.0112 -0.0632 24 PHE A CZ 193 N N . ASP A 25 ? 0.1133 0.1348 0.1696 -0.0018 -0.0232 -0.0330 25 ASP A N 194 C CA . ASP A 25 ? 0.1652 0.1881 0.2488 -0.0062 -0.0267 -0.0270 25 ASP A CA 195 C C . ASP A 25 ? 0.1240 0.1414 0.2255 -0.0095 -0.0271 -0.0234 25 ASP A C 196 O O . ASP A 25 ? 0.1365 0.1497 0.2276 -0.0097 -0.0221 -0.0198 25 ASP A O 197 C CB . ASP A 25 ? 0.1594 0.1892 0.2456 -0.0086 -0.0134 -0.0174 25 ASP A CB 198 C CG . ASP A 25 ? 0.2036 0.2355 0.3254 -0.0135 -0.0081 -0.0107 25 ASP A CG 199 O OD1 . ASP A 25 ? 0.2137 0.2516 0.3579 -0.0133 -0.0111 -0.0110 25 ASP A OD1 200 O OD2 . ASP A 25 ? 0.2280 0.2540 0.3585 -0.0178 -0.0002 -0.0042 25 ASP A OD2 201 N N . PHE A 26 ? 0.0896 0.1046 0.2209 -0.0123 -0.0361 -0.0236 26 PHE A N 202 C CA . PHE A 26 ? 0.1229 0.1311 0.2761 -0.0171 -0.0360 -0.0171 26 PHE A CA 203 C C . PHE A 26 ? 0.1065 0.1180 0.2949 -0.0237 -0.0270 -0.0064 26 PHE A C 204 O O . PHE A 26 ? 0.1261 0.1393 0.3364 -0.0209 -0.0364 -0.0098 26 PHE A O 205 C CB . PHE A 26 ? 0.1051 0.1052 0.2706 -0.0143 -0.0549 -0.0288 26 PHE A CB 206 C CG . PHE A 26 ? 0.1484 0.1404 0.3372 -0.0173 -0.0563 -0.0204 26 PHE A CG 207 C CD1 . PHE A 26 ? 0.1436 0.1274 0.3268 -0.0185 -0.0566 -0.0173 26 PHE A CD1 208 C CD2 . PHE A 26 ? 0.1561 0.1474 0.3753 -0.0182 -0.0593 -0.0150 26 PHE A CD2 209 C CE1 . PHE A 26 ? 0.1433 0.1182 0.3455 -0.0214 -0.0598 -0.0081 26 PHE A CE1 210 C CE2 . PHE A 26 ? 0.1504 0.1356 0.3923 -0.0210 -0.0600 -0.0065 26 PHE A CE2 211 C CZ . PHE A 26 ? 0.1454 0.1221 0.3761 -0.0232 -0.0603 -0.0027 26 PHE A CZ 212 N N . ASP A 27 ? 0.1976 0.1136 0.1896 0.0288 -0.0026 0.0243 27 ASP A N 213 C CA . ASP A 27 ? 0.1947 0.1131 0.1825 0.0237 0.0121 0.0311 27 ASP A CA 214 C C . ASP A 27 ? 0.2409 0.1967 0.2464 0.0220 0.0147 0.0269 27 ASP A C 215 O O . ASP A 27 ? 0.2074 0.1815 0.2300 0.0126 0.0267 0.0271 27 ASP A O 216 C CB . ASP A 27 ? 0.1947 0.0995 0.1908 0.0090 0.0244 0.0326 27 ASP A CB 217 C CG . ASP A 27 ? 0.3249 0.1842 0.2955 0.0139 0.0248 0.0417 27 ASP A CG 218 O OD1 . ASP A 27 ? 0.3064 0.1522 0.2545 0.0285 0.0141 0.0463 27 ASP A OD1 219 O OD2 . ASP A 27 ? 0.3111 0.1493 0.2846 0.0024 0.0341 0.0435 27 ASP A OD2 220 N N . GLY A 28 ? 0.2086 0.1763 0.2122 0.0312 0.0035 0.0234 28 GLY A N 221 C CA . GLY A 28 ? 0.1884 0.1859 0.2043 0.0342 0.0038 0.0211 28 GLY A CA 222 C C . GLY A 28 ? 0.1898 0.2155 0.2290 0.0272 -0.0036 0.0125 28 GLY A C 223 O O . GLY A 28 ? 0.2243 0.2742 0.2724 0.0322 -0.0068 0.0115 28 GLY A O 224 N N . ASP A 29 ? 0.1364 0.1568 0.1824 0.0175 -0.0070 0.0060 29 ASP A N 225 C CA . ASP A 29 ? 0.1023 0.1439 0.1606 0.0117 -0.0152 -0.0035 29 ASP A CA 226 C C . ASP A 29 ? 0.1397 0.1698 0.1859 0.0162 -0.0227 -0.0065 29 ASP A C 227 O O . ASP A 29 ? 0.1661 0.1737 0.2046 0.0192 -0.0220 -0.0049 29 ASP A O 228 C CB . ASP A 29 ? 0.0987 0.1457 0.1742 -0.0045 -0.0121 -0.0121 29 ASP A CB 229 C CG . ASP A 29 ? 0.1530 0.2284 0.2516 -0.0125 -0.0069 -0.0119 29 ASP A CG 230 O OD1 . ASP A 29 ? 0.2271 0.3350 0.3374 -0.0095 -0.0152 -0.0149 29 ASP A OD1 231 O OD2 . ASP A 29 ? 0.1343 0.2003 0.2400 -0.0212 0.0056 -0.0080 29 ASP A OD2 232 N N . GLU A 30 ? 0.1265 0.1734 0.1715 0.0169 -0.0297 -0.0105 30 GLU A N 233 C CA . GLU A 30 ? 0.1320 0.1717 0.1666 0.0193 -0.0332 -0.0128 30 GLU A CA 234 C C . GLU A 30 ? 0.1205 0.1552 0.1590 0.0120 -0.0307 -0.0239 30 GLU A C 235 O O . GLU A 30 ? 0.1172 0.1619 0.1598 0.0036 -0.0319 -0.0328 30 GLU A O 236 C CB . GLU A 30 ? 0.1327 0.1873 0.1580 0.0224 -0.0394 -0.0112 30 GLU A CB 237 C CG . GLU A 30 ? 0.1770 0.2264 0.1906 0.0214 -0.0391 -0.0135 30 GLU A CG 238 C CD . GLU A 30 ? 0.2035 0.2611 0.2009 0.0228 -0.0435 -0.0103 30 GLU A CD 239 O OE1 . GLU A 30 ? 0.2152 0.2774 0.2131 0.0242 -0.0456 -0.0052 30 GLU A OE1 240 O OE2 . GLU A 30 ? 0.1944 0.2492 0.1789 0.0209 -0.0412 -0.0117 30 GLU A OE2 241 N N . ILE A 31 ? 0.1128 0.1325 0.1508 0.0157 -0.0281 -0.0248 31 ILE A N 242 C CA . ILE A 31 ? 0.1172 0.1311 0.1583 0.0125 -0.0241 -0.0366 31 ILE A CA 243 C C . ILE A 31 ? 0.1412 0.1688 0.1728 0.0115 -0.0235 -0.0419 31 ILE A C 244 O O . ILE A 31 ? 0.1692 0.2008 0.1938 0.0057 -0.0225 -0.0531 31 ILE A O 245 C CB . ILE A 31 ? 0.1638 0.1605 0.2122 0.0204 -0.0216 -0.0358 31 ILE A CB 246 C CG1 . ILE A 31 ? 0.1530 0.1305 0.2016 0.0230 -0.0225 -0.0273 31 ILE A CG1 247 C CG2 . ILE A 31 ? 0.1440 0.1330 0.1965 0.0201 -0.0156 -0.0495 31 ILE A CG2 248 C CD1 . ILE A 31 ? 0.1711 0.1298 0.2244 0.0334 -0.0238 -0.0256 31 ILE A CD1 249 N N . PHE A 32 ? 0.1347 0.1665 0.1630 0.0161 -0.0237 -0.0339 32 PHE A N 250 C CA . PHE A 32 ? 0.1516 0.1928 0.1668 0.0142 -0.0205 -0.0351 32 PHE A CA 251 C C . PHE A 32 ? 0.1296 0.1705 0.1405 0.0163 -0.0227 -0.0226 32 PHE A C 252 O O . PHE A 32 ? 0.1267 0.1602 0.1459 0.0200 -0.0269 -0.0159 32 PHE A O 253 C CB . PHE A 32 ? 0.1123 0.1540 0.1327 0.0144 -0.0098 -0.0455 32 PHE A CB 254 C CG . PHE A 32 ? 0.1252 0.1672 0.1668 0.0197 -0.0066 -0.0420 32 PHE A CG 255 C CD1 . PHE A 32 ? 0.1553 0.2070 0.1994 0.0175 -0.0021 -0.0362 32 PHE A CD1 256 C CD2 . PHE A 32 ? 0.1434 0.1758 0.2026 0.0263 -0.0089 -0.0443 32 PHE A CD2 257 C CE1 . PHE A 32 ? 0.1671 0.2251 0.2369 0.0206 -0.0015 -0.0346 32 PHE A CE1 258 C CE2 . PHE A 32 ? 0.1635 0.2001 0.2441 0.0328 -0.0099 -0.0416 32 PHE A CE2 259 C CZ . PHE A 32 ? 0.1557 0.2083 0.2445 0.0294 -0.0070 -0.0377 32 PHE A CZ 260 N N . HIS A 33 ? 0.1346 0.1794 0.1281 0.0135 -0.0198 -0.0194 33 HIS A N 261 C CA . HIS A 33 ? 0.1430 0.1820 0.1322 0.0125 -0.0187 -0.0086 33 HIS A CA 262 C C . HIS A 33 ? 0.1746 0.2186 0.1554 0.0063 -0.0061 -0.0102 33 HIS A C 263 O O . HIS A 33 ? 0.1854 0.2359 0.1569 0.0052 0.0003 -0.0195 33 HIS A O 264 C CB . HIS A 33 ? 0.1388 0.1696 0.1086 0.0163 -0.0273 0.0021 33 HIS A CB 265 C CG . HIS A 33 ? 0.1989 0.2334 0.1428 0.0165 -0.0288 0.0036 33 HIS A CG 266 N ND1 . HIS A 33 ? 0.2003 0.2464 0.1411 0.0196 -0.0372 -0.0019 33 HIS A ND1 267 C CD2 . HIS A 33 ? 0.2283 0.2558 0.1462 0.0137 -0.0241 0.0104 33 HIS A CD2 268 C CE1 . HIS A 33 ? 0.2372 0.2846 0.1504 0.0203 -0.0404 0.0007 33 HIS A CE1 269 N NE2 . HIS A 33 ? 0.2122 0.2458 0.1078 0.0174 -0.0317 0.0092 33 HIS A NE2 270 N N . VAL A 34 ? 0.1559 0.1957 0.1391 0.0011 -0.0014 -0.0020 34 VAL A N 271 C CA . VAL A 34 ? 0.1483 0.1931 0.1229 -0.0070 0.0143 -0.0010 34 VAL A CA 272 C C . VAL A 34 ? 0.2336 0.2613 0.1716 -0.0102 0.0142 0.0125 34 VAL A C 273 O O . VAL A 34 ? 0.2326 0.2438 0.1663 -0.0102 0.0063 0.0230 34 VAL A O 274 C CB . VAL A 34 ? 0.1418 0.1969 0.1495 -0.0140 0.0225 -0.0011 34 VAL A CB 275 C CG1 . VAL A 34 ? 0.1692 0.2298 0.1685 -0.0253 0.0425 0.0027 34 VAL A CG1 276 C CG2 . VAL A 34 ? 0.1929 0.2649 0.2346 -0.0073 0.0228 -0.0140 34 VAL A CG2 277 N N . ASP A 35 ? 0.2326 0.2605 0.1399 -0.0114 0.0223 0.0119 35 ASP A N 278 C CA . ASP A 35 ? 0.3186 0.3271 0.1855 -0.0142 0.0247 0.0266 35 ASP A CA 279 C C . ASP A 35 ? 0.3393 0.3438 0.2155 -0.0281 0.0429 0.0341 35 ASP A C 280 O O . ASP A 35 ? 0.3264 0.3447 0.2061 -0.0353 0.0625 0.0286 35 ASP A O 281 C CB . ASP A 35 ? 0.3722 0.3824 0.1997 -0.0119 0.0283 0.0226 35 ASP A CB 282 C CG . ASP A 35 ? 0.4807 0.4668 0.2578 -0.0122 0.0289 0.0400 35 ASP A CG 283 O OD1 . ASP A 35 ? 0.4333 0.4012 0.2054 -0.0203 0.0387 0.0543 35 ASP A OD1 284 O OD2 . ASP A 35 ? 0.5424 0.5303 0.2913 -0.0040 0.0180 0.0388 35 ASP A OD2 285 N N . MET A 36 ? 0.3585 0.3443 0.2399 -0.0325 0.0373 0.0454 36 MET A N 286 C CA . MET A 36 ? 0.3960 0.3802 0.2970 -0.0493 0.0517 0.0507 36 MET A CA 287 C C . MET A 36 ? 0.4513 0.4230 0.3185 -0.0613 0.0732 0.0624 36 MET A C 288 O O . MET A 36 ? 0.4579 0.4430 0.3469 -0.0770 0.0935 0.0623 36 MET A O 289 C CB . MET A 36 ? 0.4205 0.3811 0.3298 -0.0520 0.0383 0.0582 36 MET A CB 290 C CG . MET A 36 ? 0.3945 0.3632 0.3302 -0.0405 0.0191 0.0482 36 MET A CG 291 S SD . MET A 36 ? 0.4373 0.4443 0.4288 -0.0433 0.0210 0.0319 36 MET A SD 292 C CE . MET A 36 ? 0.5418 0.5524 0.5598 -0.0662 0.0329 0.0362 36 MET A CE 293 N N . ALA A 37 ? 0.4631 0.4106 0.2775 -0.0535 0.0688 0.0730 37 ALA A N 294 C CA . ALA A 37 ? 0.5127 0.4452 0.2898 -0.0608 0.0865 0.0852 37 ALA A CA 295 C C . ALA A 37 ? 0.4789 0.4390 0.2540 -0.0618 0.1054 0.0734 37 ALA A C 296 O O . ALA A 37 ? 0.5004 0.4685 0.2828 -0.0732 0.1277 0.0763 37 ALA A O 297 C CB . ALA A 37 ? 0.5466 0.4569 0.2858 -0.0445 0.0681 0.0962 37 ALA A CB 298 N N . LYS A 38 ? 0.4413 0.4159 0.2087 -0.0493 0.0956 0.0591 38 LYS A N 299 C CA . LYS A 38 ? 0.4728 0.4684 0.2351 -0.0465 0.1103 0.0449 38 LYS A CA 300 C C . LYS A 38 ? 0.4129 0.4400 0.2260 -0.0527 0.1269 0.0280 38 LYS A C 301 O O . LYS A 38 ? 0.4451 0.4890 0.2625 -0.0494 0.1426 0.0164 38 LYS A O 302 C CB . LYS A 38 ? 0.5119 0.5082 0.2472 -0.0308 0.0905 0.0345 38 LYS A CB 303 C CG . LYS A 38 ? 0.6162 0.5954 0.3144 -0.0216 0.0710 0.0486 38 LYS A CG 304 C CD . LYS A 38 ? 0.6732 0.6646 0.3568 -0.0093 0.0508 0.0358 38 LYS A CD 305 C CE . LYS A 38 ? 0.7633 0.7642 0.4291 -0.0082 0.0645 0.0206 38 LYS A CE 306 N NZ . LYS A 38 ? 0.8113 0.8214 0.4635 0.0010 0.0431 0.0070 38 LYS A NZ 307 N N . LYS A 39 ? 0.3783 0.4146 0.2411 -0.0539 0.1150 0.0268 39 LYS A N 308 C CA . LYS A 39 ? 0.3052 0.3736 0.2272 -0.0527 0.1203 0.0114 39 LYS A CA 309 C C . LYS A 39 ? 0.2993 0.3788 0.2205 -0.0385 0.1165 -0.0076 39 LYS A C 310 O O . LYS A 39 ? 0.3277 0.4279 0.2679 -0.0362 0.1348 -0.0211 39 LYS A O 311 C CB . LYS A 39 ? 0.3635 0.4537 0.3120 -0.0667 0.1500 0.0121 39 LYS A CB 312 C CG . LYS A 39 ? 0.4672 0.5418 0.4139 -0.0854 0.1557 0.0311 39 LYS A CG 313 C CD . LYS A 39 ? 0.5503 0.6476 0.5270 -0.0954 0.1782 0.0332 39 LYS A CD 314 C CE . LYS A 39 ? 0.6167 0.6920 0.5866 -0.1136 0.1808 0.0525 39 LYS A CE 315 N NZ . LYS A 39 ? 0.6527 0.7538 0.6545 -0.1259 0.2026 0.0553 39 LYS A NZ 316 N N . GLU A 40 ? 0.2973 0.3622 0.1976 -0.0291 0.0934 -0.0092 40 GLU A N 317 C CA . GLU A 40 ? 0.3071 0.3766 0.2041 -0.0188 0.0873 -0.0271 40 GLU A CA 318 C C . GLU A 40 ? 0.2641 0.3323 0.1880 -0.0116 0.0639 -0.0301 40 GLU A C 319 O O . GLU A 40 ? 0.2394 0.2974 0.1609 -0.0115 0.0479 -0.0182 40 GLU A O 320 C CB . GLU A 40 ? 0.3674 0.4221 0.2062 -0.0170 0.0832 -0.0282 40 GLU A CB 321 C CG . GLU A 40 ? 0.5186 0.5704 0.3219 -0.0210 0.1071 -0.0281 40 GLU A CG 322 C CD . GLU A 40 ? 0.6536 0.6867 0.4039 -0.0138 0.0939 -0.0271 40 GLU A CD 323 O OE1 . GLU A 40 ? 0.6833 0.7089 0.4232 -0.0096 0.0688 -0.0256 40 GLU A OE1 324 O OE2 . GLU A 40 ? 0.7499 0.7798 0.4725 -0.0114 0.1078 -0.0279 40 GLU A OE2 325 N N . THR A 41 ? 0.2341 0.3098 0.1811 -0.0048 0.0638 -0.0461 41 THR A N 326 C CA . THR A 41 ? 0.1910 0.2618 0.1569 0.0011 0.0448 -0.0492 41 THR A CA 327 C C . THR A 41 ? 0.2458 0.3072 0.1808 0.0015 0.0316 -0.0537 41 THR A C 328 O O . THR A 41 ? 0.2656 0.3247 0.1767 0.0011 0.0370 -0.0665 41 THR A O 329 C CB . THR A 41 ? 0.2201 0.2963 0.2186 0.0085 0.0500 -0.0634 41 THR A CB 330 O OG1 . THR A 41 ? 0.2201 0.3118 0.2548 0.0094 0.0581 -0.0593 41 THR A OG1 331 C CG2 . THR A 41 ? 0.1928 0.2577 0.2030 0.0131 0.0327 -0.0653 41 THR A CG2 332 N N . VAL A 42 ? 0.2018 0.2591 0.1382 0.0025 0.0142 -0.0443 42 VAL A N 333 C CA . VAL A 42 ? 0.2045 0.2608 0.1215 0.0025 -0.0006 -0.0479 42 VAL A CA 334 C C . VAL A 42 ? 0.2204 0.2768 0.1647 0.0037 -0.0104 -0.0534 42 VAL A C 335 O O . VAL A 42 ? 0.1730 0.2291 0.1340 0.0064 -0.0173 -0.0430 42 VAL A O 336 C CB . VAL A 42 ? 0.2038 0.2584 0.1002 0.0044 -0.0119 -0.0318 42 VAL A CB 337 C CG1 . VAL A 42 ? 0.2178 0.2797 0.0994 0.0057 -0.0291 -0.0367 42 VAL A CG1 338 C CG2 . VAL A 42 ? 0.2258 0.2730 0.0919 0.0020 -0.0006 -0.0223 42 VAL A CG2 339 N N . TRP A 43 ? 0.2108 0.2640 0.1566 0.0011 -0.0092 -0.0698 43 TRP A N 340 C CA . TRP A 43 ? 0.1711 0.2193 0.1400 -0.0005 -0.0156 -0.0747 43 TRP A CA 341 C C . TRP A 43 ? 0.1555 0.2145 0.1225 -0.0049 -0.0309 -0.0717 43 TRP A C 342 O O . TRP A 43 ? 0.1799 0.2480 0.1249 -0.0076 -0.0389 -0.0758 43 TRP A O 343 C CB . TRP A 43 ? 0.2106 0.2456 0.1798 -0.0030 -0.0089 -0.0939 43 TRP A CB 344 C CG . TRP A 43 ? 0.2584 0.2874 0.2365 0.0049 0.0067 -0.0976 43 TRP A CG 345 C CD1 . TRP A 43 ? 0.2531 0.2851 0.2145 0.0071 0.0202 -0.1057 43 TRP A CD1 346 C CD2 . TRP A 43 ? 0.2389 0.2612 0.2461 0.0127 0.0105 -0.0930 43 TRP A CD2 347 N NE1 . TRP A 43 ? 0.2436 0.2759 0.2290 0.0160 0.0331 -0.1072 43 TRP A NE1 348 C CE2 . TRP A 43 ? 0.2387 0.2651 0.2523 0.0202 0.0252 -0.0994 43 TRP A CE2 349 C CE3 . TRP A 43 ? 0.2176 0.2314 0.2443 0.0150 0.0030 -0.0837 43 TRP A CE3 350 C CZ2 . TRP A 43 ? 0.2256 0.2514 0.2693 0.0309 0.0292 -0.0972 43 TRP A CZ2 351 C CZ3 . TRP A 43 ? 0.1898 0.1971 0.2381 0.0254 0.0065 -0.0808 43 TRP A CZ3 352 C CH2 . TRP A 43 ? 0.1869 0.2020 0.2459 0.0338 0.0178 -0.0878 43 TRP A CH2 353 N N . ARG A 44 ? 0.1362 0.1960 0.1260 -0.0045 -0.0348 -0.0644 44 ARG A N 354 C CA . ARG A 44 ? 0.1384 0.2152 0.1350 -0.0072 -0.0468 -0.0608 44 ARG A CA 355 C C . ARG A 44 ? 0.1853 0.2660 0.1832 -0.0183 -0.0523 -0.0736 44 ARG A C 356 O O . ARG A 44 ? 0.1848 0.2786 0.1785 -0.0196 -0.0618 -0.0699 44 ARG A O 357 C CB . ARG A 44 ? 0.1154 0.1903 0.1347 -0.0045 -0.0447 -0.0504 44 ARG A CB 358 C CG . ARG A 44 ? 0.1280 0.2248 0.1604 -0.0053 -0.0528 -0.0457 44 ARG A CG 359 C CD . ARG A 44 ? 0.1171 0.2183 0.1335 0.0038 -0.0574 -0.0336 44 ARG A CD 360 N NE . ARG A 44 ? 0.1371 0.2546 0.1680 0.0055 -0.0625 -0.0280 44 ARG A NE 361 C CZ . ARG A 44 ? 0.1496 0.2829 0.1854 0.0001 -0.0715 -0.0332 44 ARG A CZ 362 N NH1 . ARG A 44 ? 0.1666 0.2970 0.1888 -0.0081 -0.0762 -0.0443 44 ARG A NH1 363 N NH2 . ARG A 44 ? 0.1738 0.3263 0.2285 0.0034 -0.0762 -0.0282 44 ARG A NH2 364 N N . LEU A 45 ? 0.1788 0.2430 0.1831 -0.0257 -0.0463 -0.0871 45 LEU A N 365 C CA . LEU A 45 ? 0.2403 0.2986 0.2398 -0.0368 -0.0499 -0.0994 45 LEU A CA 366 C C . LEU A 45 ? 0.2618 0.3004 0.2372 -0.0345 -0.0421 -0.1118 45 LEU A C 367 O O . LEU A 45 ? 0.2419 0.2655 0.2202 -0.0279 -0.0303 -0.1144 45 LEU A O 368 C CB . LEU A 45 ? 0.2166 0.2642 0.2401 -0.0480 -0.0473 -0.1035 45 LEU A CB 369 C CG . LEU A 45 ? 0.2572 0.3257 0.3074 -0.0521 -0.0508 -0.0927 45 LEU A CG 370 C CD1 . LEU A 45 ? 0.2655 0.3192 0.3351 -0.0669 -0.0453 -0.0972 45 LEU A CD1 371 C CD2 . LEU A 45 ? 0.2399 0.3380 0.2904 -0.0516 -0.0636 -0.0877 45 LEU A CD2 372 N N . GLU A 46 ? 0.3192 0.3581 0.2710 -0.0385 -0.0487 -0.1191 46 GLU A N 373 C CA . GLU A 46 ? 0.3852 0.4059 0.3081 -0.0354 -0.0404 -0.1309 46 GLU A CA 374 C C . GLU A 46 ? 0.4113 0.4046 0.3422 -0.0355 -0.0282 -0.1427 46 GLU A C 375 O O . GLU A 46 ? 0.4130 0.3946 0.3335 -0.0262 -0.0145 -0.1476 46 GLU A O 376 C CB . GLU A 46 ? 0.5585 0.5790 0.4526 -0.0413 -0.0528 -0.1381 46 GLU A CB 377 C CG . GLU A 46 ? 0.7423 0.7686 0.6522 -0.0546 -0.0688 -0.1426 46 GLU A CG 378 C CD . GLU A 46 ? 0.7934 0.8497 0.7300 -0.0552 -0.0797 -0.1274 46 GLU A CD 379 O OE1 . GLU A 46 ? 0.8159 0.8813 0.7776 -0.0661 -0.0877 -0.1293 46 GLU A OE1 380 O OE2 . GLU A 46 ? 0.7255 0.7949 0.6583 -0.0444 -0.0791 -0.1132 46 GLU A OE2 381 N N . GLU A 47 ? 0.3847 0.3672 0.3352 -0.0448 -0.0322 -0.1455 47 GLU A N 382 C CA A GLU A 47 ? 0.4178 0.3673 0.3734 -0.0442 -0.0225 -0.1537 47 GLU A CA 383 C CA B GLU A 47 ? 0.4167 0.3661 0.3716 -0.0439 -0.0223 -0.1539 47 GLU A CA 384 C C . GLU A 47 ? 0.3787 0.3208 0.3489 -0.0297 -0.0093 -0.1463 47 GLU A C 385 O O . GLU A 47 ? 0.4091 0.3262 0.3766 -0.0213 0.0006 -0.1521 47 GLU A O 386 C CB A GLU A 47 ? 0.4315 0.3707 0.4059 -0.0587 -0.0287 -0.1533 47 GLU A CB 387 C CB B GLU A 47 ? 0.4293 0.3661 0.4008 -0.0586 -0.0285 -0.1550 47 GLU A CB 388 C CG A GLU A 47 ? 0.3967 0.3555 0.3990 -0.0610 -0.0304 -0.1378 47 GLU A CG 389 C CG B GLU A 47 ? 0.4751 0.4278 0.4434 -0.0738 -0.0443 -0.1601 47 GLU A CG 390 C CD A GLU A 47 ? 0.4203 0.3612 0.4410 -0.0738 -0.0289 -0.1355 47 GLU A CD 391 C CD B GLU A 47 ? 0.4226 0.4122 0.4133 -0.0774 -0.0528 -0.1462 47 GLU A CD 392 O OE1 A GLU A 47 ? 0.4760 0.4260 0.5033 -0.0896 -0.0378 -0.1396 47 GLU A OE1 393 O OE1 B GLU A 47 ? 0.3467 0.3611 0.3270 -0.0708 -0.0598 -0.1408 47 GLU A OE1 394 O OE2 A GLU A 47 ? 0.3210 0.2380 0.3490 -0.0678 -0.0192 -0.1283 47 GLU A OE2 395 O OE2 B GLU A 47 ? 0.4264 0.4181 0.4438 -0.0860 -0.0515 -0.1398 47 GLU A OE2 396 N N . PHE A 48 ? 0.2656 0.2289 0.2514 -0.0256 -0.0109 -0.1332 48 PHE A N 397 C CA . PHE A 48 ? 0.2552 0.2133 0.2577 -0.0121 -0.0025 -0.1249 48 PHE A CA 398 C C . PHE A 48 ? 0.2889 0.2464 0.2839 0.0007 0.0094 -0.1301 48 PHE A C 399 O O . PHE A 48 ? 0.3310 0.2760 0.3397 0.0125 0.0168 -0.1274 48 PHE A O 400 C CB . PHE A 48 ? 0.2078 0.1889 0.2215 -0.0096 -0.0082 -0.1103 48 PHE A CB 401 C CG . PHE A 48 ? 0.2173 0.2006 0.2442 -0.0184 -0.0157 -0.1007 48 PHE A CG 402 C CD1 . PHE A 48 ? 0.1527 0.1552 0.1856 -0.0150 -0.0203 -0.0837 48 PHE A CD1 403 C CD2 . PHE A 48 ? 0.2622 0.2270 0.2949 -0.0305 -0.0161 -0.1082 48 PHE A CD2 404 C CE1 . PHE A 48 ? 0.1969 0.2041 0.2424 -0.0214 -0.0236 -0.0753 48 PHE A CE1 405 C CE2 . PHE A 48 ? 0.2733 0.2436 0.3214 -0.0403 -0.0192 -0.0994 48 PHE A CE2 406 C CZ . PHE A 48 ? 0.2351 0.2288 0.2897 -0.0346 -0.0221 -0.0827 48 PHE A CZ 407 N N . GLY A 49 ? 0.3083 0.2806 0.2812 -0.0011 0.0112 -0.1356 49 GLY A N 408 C CA . GLY A 49 ? 0.3217 0.2990 0.2876 0.0093 0.0258 -0.1391 49 GLY A CA 409 C C . GLY A 49 ? 0.3676 0.3211 0.3235 0.0149 0.0352 -0.1519 49 GLY A C 410 O O . GLY A 49 ? 0.3675 0.3249 0.3235 0.0258 0.0496 -0.1548 49 GLY A O 411 N N . ARG A 50 ? 0.3857 0.3146 0.3333 0.0075 0.0277 -0.1598 50 ARG A N 412 C CA . ARG A 50 ? 0.4265 0.3259 0.3614 0.0138 0.0351 -0.1730 50 ARG A CA 413 C C . ARG A 50 ? 0.4518 0.3324 0.4109 0.0259 0.0395 -0.1673 50 ARG A C 414 O O . ARG A 50 ? 0.5073 0.3645 0.4600 0.0372 0.0474 -0.1758 50 ARG A O 415 C CB . ARG A 50 ? 0.4858 0.3637 0.3981 -0.0007 0.0236 -0.1849 50 ARG A CB 416 C CG . ARG A 50 ? 0.5903 0.4835 0.4725 -0.0094 0.0166 -0.1906 50 ARG A CG 417 C CD . ARG A 50 ? 0.6943 0.5660 0.5548 -0.0226 0.0035 -0.2046 50 ARG A CD 418 N NE . ARG A 50 ? 0.7331 0.6065 0.6164 -0.0378 -0.0104 -0.1989 50 ARG A NE 419 C CZ . ARG A 50 ? 0.8158 0.6601 0.7097 -0.0436 -0.0117 -0.2032 50 ARG A CZ 420 N NH1 . ARG A 50 ? 0.8718 0.6809 0.7542 -0.0334 -0.0022 -0.2136 50 ARG A NH1 421 N NH2 . ARG A 50 ? 0.8198 0.6695 0.7353 -0.0588 -0.0219 -0.1965 50 ARG A NH2 422 N N . PHE A 51 ? 0.4356 0.3255 0.4193 0.0255 0.0336 -0.1523 51 PHE A N 423 C CA . PHE A 51 ? 0.4674 0.3369 0.4681 0.0363 0.0338 -0.1432 51 PHE A CA 424 C C . PHE A 51 ? 0.3973 0.2905 0.4229 0.0510 0.0370 -0.1306 51 PHE A C 425 O O . PHE A 51 ? 0.4347 0.3154 0.4716 0.0650 0.0381 -0.1240 51 PHE A O 426 C CB . PHE A 51 ? 0.4632 0.3184 0.4678 0.0238 0.0234 -0.1343 51 PHE A CB 427 C CG . PHE A 51 ? 0.5699 0.4078 0.5573 0.0057 0.0179 -0.1455 51 PHE A CG 428 C CD1 . PHE A 51 ? 0.5527 0.4043 0.5454 -0.0118 0.0089 -0.1412 51 PHE A CD1 429 C CD2 . PHE A 51 ? 0.6422 0.4516 0.6099 0.0067 0.0209 -0.1607 51 PHE A CD2 430 C CE1 . PHE A 51 ? 0.6098 0.4517 0.5925 -0.0297 0.0019 -0.1509 51 PHE A CE1 431 C CE2 . PHE A 51 ? 0.6742 0.4684 0.6276 -0.0114 0.0130 -0.1716 51 PHE A CE2 432 C CZ . PHE A 51 ? 0.6658 0.4785 0.6288 -0.0303 0.0031 -0.1662 51 PHE A CZ 433 N N . ALA A 52 ? 0.3540 0.2810 0.3866 0.0475 0.0372 -0.1269 52 ALA A N 434 C CA . ALA A 52 ? 0.2876 0.2392 0.3457 0.0573 0.0374 -0.1148 52 ALA A CA 435 C C . ALA A 52 ? 0.2934 0.2767 0.3517 0.0550 0.0461 -0.1178 52 ALA A C 436 O O . ALA A 52 ? 0.2878 0.2735 0.3216 0.0453 0.0493 -0.1263 52 ALA A O 437 C CB . ALA A 52 ? 0.2474 0.2003 0.3148 0.0531 0.0244 -0.1001 52 ALA A CB 438 N N . SER A 53 ? 0.2396 0.2467 0.3230 0.0628 0.0495 -0.1098 53 SER A N 439 C CA . SER A 53 ? 0.2312 0.2679 0.3165 0.0580 0.0595 -0.1095 53 SER A CA 440 C C . SER A 53 ? 0.2273 0.2859 0.3390 0.0570 0.0518 -0.0954 53 SER A C 441 O O . SER A 53 ? 0.1912 0.2439 0.3199 0.0633 0.0393 -0.0866 53 SER A O 442 C CB . SER A 53 ? 0.2490 0.2964 0.3386 0.0663 0.0776 -0.1169 53 SER A CB 443 O OG . SER A 53 ? 0.2860 0.3419 0.4085 0.0797 0.0763 -0.1118 53 SER A OG 444 N N . PHE A 54 ? 0.2289 0.3095 0.3386 0.0482 0.0588 -0.0925 54 PHE A N 445 C CA . PHE A 54 ? 0.1778 0.2794 0.3133 0.0450 0.0533 -0.0803 54 PHE A CA 446 C C . PHE A 54 ? 0.1759 0.3023 0.3135 0.0357 0.0713 -0.0790 54 PHE A C 447 O O . PHE A 54 ? 0.2121 0.3336 0.3149 0.0269 0.0806 -0.0801 54 PHE A O 448 C CB . PHE A 54 ? 0.1419 0.2313 0.2634 0.0379 0.0356 -0.0686 54 PHE A CB 449 C CG . PHE A 54 ? 0.1464 0.2496 0.2873 0.0329 0.0276 -0.0563 54 PHE A CG 450 C CD1 . PHE A 54 ? 0.1437 0.2499 0.3117 0.0408 0.0151 -0.0528 54 PHE A CD1 451 C CD2 . PHE A 54 ? 0.1333 0.2409 0.2589 0.0196 0.0309 -0.0473 54 PHE A CD2 452 C CE1 . PHE A 54 ? 0.1540 0.2705 0.3364 0.0345 0.0054 -0.0437 54 PHE A CE1 453 C CE2 . PHE A 54 ? 0.1575 0.2726 0.2999 0.0130 0.0233 -0.0377 54 PHE A CE2 454 C CZ . PHE A 54 ? 0.1307 0.2532 0.3050 0.0200 0.0100 -0.0379 54 PHE A CZ 455 N N . GLU A 55 ? 0.1421 0.2906 0.3135 0.0362 0.0737 -0.0734 55 GLU A N 456 C CA . GLU A 55 ? 0.2075 0.3789 0.3847 0.0248 0.0919 -0.0696 55 GLU A CA 457 C C . GLU A 55 ? 0.1852 0.3579 0.3561 0.0085 0.0873 -0.0586 55 GLU A C 458 O O . GLU A 55 ? 0.1636 0.3432 0.3610 0.0049 0.0726 -0.0510 55 GLU A O 459 C CB . GLU A 55 ? 0.2547 0.4528 0.4746 0.0294 0.0945 -0.0678 55 GLU A CB 460 C CG . GLU A 55 ? 0.3596 0.5828 0.5890 0.0164 0.1155 -0.0633 55 GLU A CG 461 C CD . GLU A 55 ? 0.4937 0.7137 0.6939 0.0188 0.1402 -0.0703 55 GLU A CD 462 O OE1 . GLU A 55 ? 0.5298 0.7330 0.7124 0.0328 0.1404 -0.0813 55 GLU A OE1 463 O OE2 . GLU A 55 ? 0.5658 0.7967 0.7570 0.0061 0.1590 -0.0643 55 GLU A OE2 464 N N . ALA A 56 ? 0.2430 0.2983 0.2471 0.0404 0.0650 -0.0865 56 ALA A N 465 C CA . ALA A 56 ? 0.2130 0.2662 0.1962 0.0361 0.0542 -0.0721 56 ALA A CA 466 C C . ALA A 56 ? 0.2082 0.2678 0.1856 0.0316 0.0655 -0.0571 56 ALA A C 467 O O . ALA A 56 ? 0.2323 0.2927 0.2144 0.0289 0.0582 -0.0424 56 ALA A O 468 C CB . ALA A 56 ? 0.2692 0.3095 0.2084 0.0372 0.0428 -0.0809 56 ALA A CB 469 N N . GLN A 57 ? 0.2799 0.3448 0.2501 0.0292 0.0856 -0.0643 57 GLN A N 470 C CA . GLN A 57 ? 0.3363 0.4104 0.3074 0.0209 0.1025 -0.0565 57 GLN A CA 471 C C . GLN A 57 ? 0.2776 0.3678 0.2916 0.0222 0.0957 -0.0454 57 GLN A C 472 O O . GLN A 57 ? 0.3106 0.4017 0.3194 0.0142 0.0983 -0.0337 57 GLN A O 473 C CB . GLN A 57 ? 0.4296 0.5150 0.4110 0.0192 0.1249 -0.0714 57 GLN A CB 474 C CG . GLN A 57 ? 0.5323 0.6322 0.5349 0.0107 0.1367 -0.0654 57 GLN A CG 475 C CD . GLN A 57 ? 0.6236 0.7031 0.5759 -0.0040 0.1499 -0.0570 57 GLN A CD 476 O OE1 . GLN A 57 ? 0.6161 0.6772 0.5371 -0.0085 0.1427 -0.0424 57 GLN A OE1 477 N NE2 . GLN A 57 ? 0.6872 0.7652 0.6293 -0.0114 0.1689 -0.0663 57 GLN A NE2 478 N N . GLY A 58 ? 0.2377 0.3342 0.2879 0.0323 0.0862 -0.0493 58 GLY A N 479 C CA . GLY A 58 ? 0.2282 0.3328 0.3100 0.0362 0.0767 -0.0400 58 GLY A CA 480 C C . GLY A 58 ? 0.2677 0.3625 0.3355 0.0308 0.0644 -0.0229 58 GLY A C 481 O O . GLY A 58 ? 0.2959 0.3986 0.3789 0.0296 0.0608 -0.0147 58 GLY A O 482 N N . ALA A 59 ? 0.2264 0.3060 0.2690 0.0284 0.0567 -0.0207 59 ALA A N 483 C CA . ALA A 59 ? 0.2132 0.2855 0.2489 0.0250 0.0451 -0.0091 59 ALA A CA 484 C C . ALA A 59 ? 0.1935 0.2657 0.2117 0.0182 0.0480 0.0012 59 ALA A C 485 O O . ALA A 59 ? 0.1976 0.2681 0.2199 0.0159 0.0412 0.0109 59 ALA A O 486 C CB . ALA A 59 ? 0.2218 0.2843 0.2457 0.0259 0.0347 -0.0159 59 ALA A CB 487 N N . LEU A 60 ? 0.2619 0.3312 0.2567 0.0136 0.0606 -0.0016 60 LEU A N 488 C CA . LEU A 60 ? 0.2757 0.3337 0.2449 0.0042 0.0672 0.0084 60 LEU A CA 489 C C . LEU A 60 ? 0.2078 0.2835 0.2106 -0.0019 0.0732 0.0127 60 LEU A C 490 O O . LEU A 60 ? 0.1974 0.2637 0.1912 -0.0078 0.0700 0.0230 60 LEU A O 491 C CB . LEU A 60 ? 0.3076 0.3507 0.2364 -0.0029 0.0859 0.0039 60 LEU A CB 492 C CG . LEU A 60 ? 0.4275 0.4386 0.2994 0.0027 0.0739 0.0043 60 LEU A CG 493 C CD1 . LEU A 60 ? 0.4209 0.4412 0.3064 0.0142 0.0598 -0.0092 60 LEU A CD1 494 C CD2 . LEU A 60 ? 0.5366 0.5200 0.3512 -0.0071 0.0953 0.0038 60 LEU A CD2 495 N N . ALA A 61 ? 0.1536 0.2541 0.1965 0.0016 0.0787 0.0028 61 ALA A N 496 C CA . ALA A 61 ? 0.1518 0.2732 0.2322 -0.0007 0.0785 0.0019 61 ALA A CA 497 C C . ALA A 61 ? 0.1372 0.2511 0.2205 0.0036 0.0587 0.0132 61 ALA A C 498 O O . ALA A 61 ? 0.1470 0.2644 0.2371 -0.0033 0.0574 0.0178 61 ALA A O 499 C CB . ALA A 61 ? 0.1632 0.3075 0.2828 0.0092 0.0777 -0.0126 61 ALA A CB 500 N N . ASN A 62 ? 0.1389 0.2409 0.2166 0.0129 0.0464 0.0157 62 ASN A N 501 C CA . ASN A 62 ? 0.0987 0.1894 0.1735 0.0147 0.0332 0.0245 62 ASN A CA 502 C C . ASN A 62 ? 0.1138 0.1940 0.1686 0.0071 0.0316 0.0325 62 ASN A C 503 O O . ASN A 62 ? 0.1109 0.1897 0.1689 0.0041 0.0264 0.0378 62 ASN A O 504 C CB . ASN A 62 ? 0.1043 0.1798 0.1738 0.0208 0.0279 0.0231 62 ASN A CB 505 C CG . ASN A 62 ? 0.1596 0.2317 0.2427 0.0308 0.0246 0.0190 62 ASN A CG 506 O OD1 . ASN A 62 ? 0.2430 0.3296 0.3434 0.0364 0.0282 0.0105 62 ASN A OD1 507 N ND2 . ASN A 62 ? 0.1125 0.1616 0.1856 0.0334 0.0186 0.0241 62 ASN A ND2 508 N N . ILE A 63 ? 0.1353 0.2050 0.1669 0.0060 0.0335 0.0320 63 ILE A N 509 C CA . ILE A 63 ? 0.1579 0.2115 0.1673 0.0035 0.0275 0.0384 63 ILE A CA 510 C C . ILE A 63 ? 0.1351 0.1847 0.1384 -0.0064 0.0356 0.0450 63 ILE A C 511 O O . ILE A 63 ? 0.1444 0.1839 0.1434 -0.0086 0.0295 0.0508 63 ILE A O 512 C CB . ILE A 63 ? 0.2164 0.2546 0.1958 0.0083 0.0225 0.0352 63 ILE A CB 513 C CG1 . ILE A 63 ? 0.2659 0.3116 0.2604 0.0157 0.0143 0.0243 63 ILE A CG1 514 C CG2 . ILE A 63 ? 0.2341 0.2491 0.1864 0.0102 0.0119 0.0417 63 ILE A CG2 515 C CD1 . ILE A 63 ? 0.2518 0.3029 0.2707 0.0160 0.0082 0.0224 63 ILE A CD1 516 N N . ALA A 64 ? 0.1660 0.2246 0.1735 -0.0137 0.0514 0.0412 64 ALA A N 517 C CA . ALA A 64 ? 0.1809 0.2382 0.1898 -0.0278 0.0643 0.0432 64 ALA A CA 518 C C . ALA A 64 ? 0.1722 0.2476 0.2161 -0.0287 0.0560 0.0418 64 ALA A C 519 O O . ALA A 64 ? 0.1633 0.2278 0.2026 -0.0377 0.0568 0.0446 64 ALA A O 520 C CB . ALA A 64 ? 0.1993 0.2695 0.2153 -0.0370 0.0849 0.0330 64 ALA A CB 521 N N . VAL A 65 ? 0.1134 0.2090 0.1853 -0.0183 0.0459 0.0361 65 VAL A N 522 C CA . VAL A 65 ? 0.1140 0.2193 0.2071 -0.0157 0.0331 0.0350 65 VAL A CA 523 C C . VAL A 65 ? 0.0978 0.1815 0.1690 -0.0147 0.0231 0.0441 65 VAL A C 524 O O . VAL A 65 ? 0.0964 0.1783 0.1711 -0.0198 0.0185 0.0448 65 VAL A O 525 C CB . VAL A 65 ? 0.1251 0.2428 0.2383 -0.0017 0.0216 0.0289 65 VAL A CB 526 C CG1 . VAL A 65 ? 0.1535 0.2683 0.2702 0.0031 0.0045 0.0300 65 VAL A CG1 527 C CG2 . VAL A 65 ? 0.1056 0.2510 0.2528 -0.0001 0.0291 0.0146 65 VAL A CG2 528 N N . ASP A 66 ? 0.0744 0.1442 0.1274 -0.0087 0.0204 0.0476 66 ASP A N 529 C CA . ASP A 66 ? 0.0745 0.1295 0.1158 -0.0072 0.0132 0.0508 66 ASP A CA 530 C C . ASP A 66 ? 0.1062 0.1466 0.1336 -0.0130 0.0137 0.0549 66 ASP A C 531 O O . ASP A 66 ? 0.1448 0.1775 0.1715 -0.0140 0.0085 0.0553 66 ASP A O 532 C CB . ASP A 66 ? 0.0914 0.1411 0.1269 -0.0007 0.0112 0.0475 66 ASP A CB 533 C CG . ASP A 66 ? 0.1117 0.1655 0.1559 0.0033 0.0127 0.0438 66 ASP A CG 534 O OD1 . ASP A 66 ? 0.1139 0.1674 0.1620 0.0044 0.0106 0.0456 66 ASP A OD1 535 O OD2 . ASP A 66 ? 0.1481 0.2012 0.1922 0.0063 0.0141 0.0384 66 ASP A OD2 536 N N . LYS A 67 ? 0.1336 0.1643 0.1445 -0.0172 0.0211 0.0578 67 LYS A N 537 C CA . LYS A 67 ? 0.1612 0.1654 0.1484 -0.0236 0.0233 0.0638 67 LYS A CA 538 C C . LYS A 67 ? 0.1633 0.1736 0.1678 -0.0360 0.0290 0.0624 67 LYS A C 539 O O . LYS A 67 ? 0.1478 0.1405 0.1450 -0.0384 0.0243 0.0646 67 LYS A O 540 C CB . LYS A 67 ? 0.1958 0.1794 0.1500 -0.0281 0.0344 0.0680 67 LYS A CB 541 C CG . LYS A 67 ? 0.2431 0.1913 0.1675 -0.0340 0.0382 0.0744 67 LYS A CG 542 C CD . LYS A 67 ? 0.3314 0.2593 0.2203 -0.0360 0.0458 0.0760 67 LYS A CD 543 C CE . LYS A 67 ? 0.4428 0.3300 0.2974 -0.0393 0.0464 0.0815 67 LYS A CE 544 N NZ . LYS A 67 ? 0.5539 0.4442 0.4262 -0.0570 0.0629 0.0794 67 LYS A NZ 545 N N . ALA A 68 ? 0.1310 0.1674 0.1620 -0.0424 0.0372 0.0549 68 ALA A N 546 C CA . ALA A 68 ? 0.1202 0.1694 0.1762 -0.0536 0.0398 0.0476 68 ALA A CA 547 C C . ALA A 68 ? 0.1144 0.1691 0.1804 -0.0470 0.0228 0.0469 68 ALA A C 548 O O . ALA A 68 ? 0.1462 0.1941 0.2153 -0.0549 0.0206 0.0443 68 ALA A O 549 C CB . ALA A 68 ? 0.1379 0.2205 0.2292 -0.0576 0.0477 0.0340 68 ALA A CB 550 N N . ASN A 69 ? 0.1047 0.1657 0.1701 -0.0336 0.0126 0.0475 69 ASN A N 551 C CA . ASN A 69 ? 0.1250 0.1819 0.1868 -0.0281 0.0003 0.0461 69 ASN A CA 552 C C . ASN A 69 ? 0.1417 0.1760 0.1852 -0.0289 -0.0002 0.0492 69 ASN A C 553 O O . ASN A 69 ? 0.1402 0.1685 0.1813 -0.0311 -0.0055 0.0455 69 ASN A O 554 C CB . ASN A 69 ? 0.1154 0.1738 0.1723 -0.0166 -0.0053 0.0468 69 ASN A CB 555 C CG . ASN A 69 ? 0.1036 0.1800 0.1788 -0.0107 -0.0127 0.0412 69 ASN A CG 556 O OD1 . ASN A 69 ? 0.1521 0.2476 0.2518 -0.0155 -0.0150 0.0330 69 ASN A OD1 557 N ND2 . ASN A 69 ? 0.0948 0.1640 0.1608 -0.0001 -0.0169 0.0431 69 ASN A ND2 558 N N . LEU A 70 ? 0.1061 0.1277 0.1372 -0.0254 0.0032 0.0536 70 LEU A N 559 C CA . LEU A 70 ? 0.1176 0.1191 0.1374 -0.0221 -0.0007 0.0531 70 LEU A CA 560 C C . LEU A 70 ? 0.1629 0.1475 0.1777 -0.0313 0.0004 0.0540 70 LEU A C 561 O O . LEU A 70 ? 0.1871 0.1609 0.2009 -0.0302 -0.0040 0.0494 70 LEU A O 562 C CB . LEU A 70 ? 0.1337 0.1238 0.1414 -0.0130 -0.0036 0.0551 70 LEU A CB 563 C CG . LEU A 70 ? 0.1641 0.1337 0.1652 -0.0044 -0.0129 0.0512 70 LEU A CG 564 C CD1 . LEU A 70 ? 0.1249 0.1068 0.1454 -0.0018 -0.0134 0.0395 70 LEU A CD1 565 C CD2 . LEU A 70 ? 0.1807 0.1386 0.1685 0.0086 -0.0229 0.0508 70 LEU A CD2 566 N N . GLU A 71 ? 0.1469 0.1277 0.1594 -0.0422 0.0092 0.0577 71 GLU A N 567 C CA A GLU A 71 ? 0.2023 0.1630 0.2105 -0.0553 0.0142 0.0573 71 GLU A CA 568 C CA B GLU A 71 ? 0.2006 0.1619 0.2093 -0.0556 0.0145 0.0572 71 GLU A CA 569 C C . GLU A 71 ? 0.2089 0.1877 0.2398 -0.0607 0.0086 0.0467 71 GLU A C 570 O O . GLU A 71 ? 0.2080 0.1684 0.2345 -0.0649 0.0061 0.0431 71 GLU A O 571 C CB A GLU A 71 ? 0.2339 0.1879 0.2372 -0.0685 0.0316 0.0586 71 GLU A CB 572 C CB B GLU A 71 ? 0.2131 0.1721 0.2207 -0.0695 0.0319 0.0576 71 GLU A CB 573 C CG A GLU A 71 ? 0.3528 0.2684 0.3186 -0.0625 0.0351 0.0684 71 GLU A CG 574 C CG B GLU A 71 ? 0.2657 0.2128 0.2814 -0.0844 0.0401 0.0527 71 GLU A CG 575 C CD A GLU A 71 ? 0.3943 0.3148 0.3456 -0.0543 0.0370 0.0727 71 GLU A CD 576 C CD B GLU A 71 ? 0.3912 0.3491 0.4169 -0.0968 0.0557 0.0493 71 GLU A CD 577 O OE1 A GLU A 71 ? 0.3622 0.2913 0.3149 -0.0637 0.0506 0.0716 71 GLU A OE1 578 O OE1 B GLU A 71 ? 0.4075 0.3723 0.4251 -0.0930 0.0623 0.0525 71 GLU A OE1 579 O OE2 A GLU A 71 ? 0.3934 0.3097 0.3327 -0.0392 0.0240 0.0749 71 GLU A OE2 580 O OE2 B GLU A 71 ? 0.4389 0.3980 0.4799 -0.1112 0.0622 0.0408 71 GLU A OE2 581 N N . ILE A 72 ? 0.1300 0.1407 0.1813 -0.0584 0.0042 0.0409 72 ILE A N 582 C CA . ILE A 72 ? 0.1266 0.1515 0.1915 -0.0594 -0.0069 0.0302 72 ILE A CA 583 C C . ILE A 72 ? 0.1726 0.1813 0.2173 -0.0513 -0.0143 0.0294 72 ILE A C 584 O O . ILE A 72 ? 0.1761 0.1761 0.2186 -0.0563 -0.0190 0.0215 72 ILE A O 585 C CB . ILE A 72 ? 0.1612 0.2152 0.2433 -0.0522 -0.0153 0.0253 72 ILE A CB 586 C CG1 . ILE A 72 ? 0.1900 0.2687 0.3054 -0.0625 -0.0068 0.0176 72 ILE A CG1 587 C CG2 . ILE A 72 ? 0.2074 0.2650 0.2863 -0.0468 -0.0332 0.0163 72 ILE A CG2 588 C CD1 . ILE A 72 ? 0.2017 0.3093 0.3389 -0.0511 -0.0156 0.0114 72 ILE A CD1 589 N N . MET A 73 ? 0.1528 0.1577 0.1849 -0.0406 -0.0129 0.0347 73 MET A N 590 C CA . MET A 73 ? 0.1628 0.1559 0.1798 -0.0353 -0.0137 0.0303 73 MET A CA 591 C C . MET A 73 ? 0.1626 0.1366 0.1777 -0.0356 -0.0112 0.0265 73 MET A C 592 O O . MET A 73 ? 0.1613 0.1261 0.1695 -0.0358 -0.0113 0.0173 73 MET A O 593 C CB . MET A 73 ? 0.1571 0.1535 0.1685 -0.0275 -0.0087 0.0331 73 MET A CB 594 C CG . MET A 73 ? 0.1513 0.1573 0.1592 -0.0245 -0.0125 0.0370 73 MET A CG 595 S SD . MET A 73 ? 0.1951 0.1967 0.1870 -0.0245 -0.0264 0.0320 73 MET A SD 596 C CE . MET A 73 ? 0.1832 0.1579 0.1416 -0.0267 -0.0182 0.0265 73 MET A CE 597 N N . THR A 74 ? 0.1613 0.1249 0.1781 -0.0343 -0.0097 0.0328 74 THR A N 598 C CA . THR A 74 ? 0.1655 0.1030 0.1768 -0.0307 -0.0119 0.0300 74 THR A CA 599 C C . THR A 74 ? 0.1996 0.1241 0.2101 -0.0416 -0.0123 0.0238 74 THR A C 600 O O . THR A 74 ? 0.2070 0.1185 0.2161 -0.0381 -0.0142 0.0140 74 THR A O 601 C CB . THR A 74 ? 0.1935 0.1093 0.1920 -0.0265 -0.0132 0.0405 74 THR A CB 602 O OG1 . THR A 74 ? 0.1721 0.1013 0.1727 -0.0150 -0.0159 0.0420 74 THR A OG1 603 C CG2 . THR A 74 ? 0.2246 0.1035 0.2112 -0.0190 -0.0201 0.0382 74 THR A CG2 604 N N . LYS A 75 ? 0.1933 0.1247 0.2097 -0.0552 -0.0097 0.0258 75 LYS A N 605 C CA . LYS A 75 ? 0.2456 0.1701 0.2677 -0.0680 -0.0109 0.0160 75 LYS A CA 606 C C . LYS A 75 ? 0.2102 0.1472 0.2312 -0.0655 -0.0190 0.0033 75 LYS A C 607 O O . LYS A 75 ? 0.2354 0.1564 0.2521 -0.0690 -0.0211 -0.0073 75 LYS A O 608 C CB . LYS A 75 ? 0.2500 0.1893 0.2902 -0.0845 -0.0055 0.0148 75 LYS A CB 609 C CG . LYS A 75 ? 0.2892 0.2073 0.3208 -0.0930 0.0086 0.0261 75 LYS A CG 610 C CD . LYS A 75 ? 0.3902 0.3294 0.4489 -0.1124 0.0196 0.0184 75 LYS A CD 611 C CE . LYS A 75 ? 0.5690 0.4976 0.6157 -0.1128 0.0349 0.0298 75 LYS A CE 612 N NZ . LYS A 75 ? 0.5978 0.5536 0.6732 -0.1271 0.0453 0.0197 75 LYS A NZ 613 N N . ARG A 76 ? 0.2260 0.1852 0.2448 -0.0595 -0.0233 0.0043 76 ARG A N 614 C CA . ARG A 76 ? 0.2243 0.1844 0.2258 -0.0566 -0.0308 -0.0053 76 ARG A CA 615 C C . ARG A 76 ? 0.2397 0.1803 0.2248 -0.0520 -0.0232 -0.0118 76 ARG A C 616 O O . ARG A 76 ? 0.2605 0.1906 0.2286 -0.0544 -0.0257 -0.0238 76 ARG A O 617 C CB . ARG A 76 ? 0.2109 0.1839 0.2010 -0.0487 -0.0353 0.0004 76 ARG A CB 618 C CG . ARG A 76 ? 0.2414 0.2358 0.2471 -0.0495 -0.0494 -0.0020 76 ARG A CG 619 C CD . ARG A 76 ? 0.2849 0.2799 0.2695 -0.0376 -0.0576 0.0031 76 ARG A CD 620 N NE . ARG A 76 ? 0.2574 0.2785 0.2699 -0.0339 -0.0687 0.0020 76 ARG A NE 621 C CZ . ARG A 76 ? 0.2741 0.2964 0.2768 -0.0217 -0.0762 0.0076 76 ARG A CZ 622 N NH1 . ARG A 76 ? 0.2269 0.2213 0.1875 -0.0151 -0.0716 0.0163 76 ARG A NH1 623 N NH2 . ARG A 76 ? 0.2356 0.2856 0.2723 -0.0171 -0.0865 0.0023 76 ARG A NH2 624 N N . SER A 77 ? 0.1884 0.1233 0.2012 -0.0377 -0.0357 0.0177 77 SER A N 625 C CA . SER A 77 ? 0.2060 0.1369 0.1939 -0.0399 -0.0303 0.0146 77 SER A CA 626 C C . SER A 77 ? 0.2376 0.1645 0.2223 -0.0391 -0.0222 0.0077 77 SER A C 627 O O . SER A 77 ? 0.2204 0.1463 0.1927 -0.0390 -0.0172 0.0006 77 SER A O 628 C CB . SER A 77 ? 0.2056 0.1390 0.1896 -0.0329 -0.0236 0.0153 77 SER A CB 629 O OG . SER A 77 ? 0.1981 0.1326 0.1897 -0.0253 -0.0128 0.0135 77 SER A OG 630 N N . ASN A 78 ? 0.2219 0.1474 0.2213 -0.0390 -0.0220 0.0088 78 ASN A N 631 C CA . ASN A 78 ? 0.2365 0.1544 0.2374 -0.0384 -0.0177 0.0049 78 ASN A CA 632 C C . ASN A 78 ? 0.2213 0.1360 0.2197 -0.0314 -0.0105 0.0052 78 ASN A C 633 O O . ASN A 78 ? 0.2161 0.1228 0.2126 -0.0292 -0.0103 -0.0015 78 ASN A O 634 C CB . ASN A 78 ? 0.2796 0.1923 0.2714 -0.0436 -0.0215 -0.0051 78 ASN A CB 635 C CG . ASN A 78 ? 0.3480 0.2628 0.3386 -0.0527 -0.0307 -0.0041 78 ASN A CG 636 O OD1 . ASN A 78 ? 0.3050 0.2205 0.3105 -0.0543 -0.0348 0.0020 78 ASN A OD1 637 N ND2 . ASN A 78 ? 0.5120 0.4297 0.4844 -0.0608 -0.0344 -0.0103 78 ASN A ND2 638 N N . TYR A 79 ? 0.1745 0.0962 0.1760 -0.0281 -0.0061 0.0113 79 TYR A N 639 C CA . TYR A 79 ? 0.2100 0.1293 0.2080 -0.0234 -0.0008 0.0139 79 TYR A CA 640 C C . TYR A 79 ? 0.2416 0.1578 0.2304 -0.0181 -0.0001 0.0075 79 TYR A C 641 O O . TYR A 79 ? 0.2449 0.1532 0.2349 -0.0145 -0.0004 0.0061 79 TYR A O 642 C CB . TYR A 79 ? 0.2113 0.1214 0.2136 -0.0275 -0.0020 0.0191 79 TYR A CB 643 C CG . TYR A 79 ? 0.2068 0.1265 0.2175 -0.0356 0.0006 0.0248 79 TYR A CG 644 C CD1 . TYR A 79 ? 0.2280 0.1491 0.2482 -0.0409 -0.0032 0.0232 79 TYR A CD1 645 C CD2 . TYR A 79 ? 0.2103 0.1412 0.2201 -0.0393 0.0076 0.0298 79 TYR A CD2 646 C CE1 . TYR A 79 ? 0.2109 0.1452 0.2430 -0.0489 0.0001 0.0260 79 TYR A CE1 647 C CE2 . TYR A 79 ? 0.2317 0.1782 0.2515 -0.0487 0.0126 0.0308 79 TYR A CE2 648 C CZ . TYR A 79 ? 0.2030 0.1517 0.2357 -0.0530 0.0089 0.0287 79 TYR A CZ 649 O OH . TYR A 79 ? 0.2208 0.1891 0.2676 -0.0629 0.0146 0.0275 79 TYR A OH 650 N N . THR A 80 ? 0.1800 0.1029 0.1610 -0.0191 -0.0009 0.0039 80 THR A N 651 C CA . THR A 80 ? 0.2126 0.1387 0.1846 -0.0170 0.0018 -0.0032 80 THR A CA 652 C C . THR A 80 ? 0.1895 0.1183 0.1605 -0.0111 0.0053 0.0024 80 THR A C 653 O O . THR A 80 ? 0.2083 0.1417 0.1793 -0.0115 0.0043 0.0083 80 THR A O 654 C CB . THR A 80 ? 0.2162 0.1497 0.1751 -0.0258 -0.0012 -0.0064 80 THR A CB 655 O OG1 . THR A 80 ? 0.2523 0.1843 0.2099 -0.0327 -0.0045 -0.0130 80 THR A OG1 656 C CG2 . THR A 80 ? 0.2408 0.1829 0.1894 -0.0271 0.0037 -0.0148 80 THR A CG2 657 N N . PRO A 81 ? 0.1979 0.1232 0.1713 -0.0054 0.0076 -0.0004 81 PRO A N 658 C CA . PRO A 81 ? 0.1972 0.1245 0.1685 -0.0007 0.0102 0.0051 81 PRO A CA 659 C C . PRO A 81 ? 0.1939 0.1297 0.1579 -0.0002 0.0122 0.0011 81 PRO A C 660 O O . PRO A 81 ? 0.1836 0.1254 0.1426 -0.0049 0.0126 -0.0069 81 PRO A O 661 C CB . PRO A 81 ? 0.2298 0.1474 0.2077 0.0035 0.0076 0.0050 81 PRO A CB 662 C CG . PRO A 81 ? 0.2600 0.1747 0.2463 0.0041 0.0048 -0.0075 81 PRO A CG 663 C CD . PRO A 81 ? 0.2490 0.1669 0.2312 -0.0027 0.0053 -0.0093 81 PRO A CD 664 N N . ILE A 82 ? 0.1493 0.0873 0.1113 0.0032 0.0136 0.0062 82 ILE A N 665 C CA . ILE A 82 ? 0.1580 0.1031 0.1135 0.0026 0.0143 0.0044 82 ILE A CA 666 C C . ILE A 82 ? 0.1931 0.1415 0.1517 0.0056 0.0170 -0.0049 82 ILE A C 667 O O . ILE A 82 ? 0.2087 0.1503 0.1769 0.0114 0.0154 -0.0066 82 ILE A O 668 C CB . ILE A 82 ? 0.1536 0.0994 0.1091 0.0060 0.0141 0.0107 82 ILE A CB 669 C CG1 . ILE A 82 ? 0.1968 0.1476 0.1461 0.0027 0.0116 0.0112 82 ILE A CG1 670 C CG2 . ILE A 82 ? 0.2119 0.1546 0.1690 0.0116 0.0163 0.0121 82 ILE A CG2 671 C CD1 . ILE A 82 ? 0.2119 0.1621 0.1658 0.0055 0.0083 0.0155 82 ILE A CD1 672 N N . THR A 83 ? 0.1772 0.1372 0.1297 0.0001 0.0194 -0.0115 83 THR A N 673 C CA . THR A 83 ? 0.1775 0.1470 0.1382 0.0029 0.0231 -0.0241 83 THR A CA 674 C C . THR A 83 ? 0.1760 0.1465 0.1362 0.0072 0.0228 -0.0183 83 THR A C 675 O O . THR A 83 ? 0.2103 0.1829 0.1592 0.0020 0.0218 -0.0104 83 THR A O 676 C CB . THR A 83 ? 0.2278 0.2156 0.1810 -0.0090 0.0284 -0.0368 83 THR A CB 677 O OG1 . THR A 83 ? 0.2561 0.2431 0.2090 -0.0134 0.0285 -0.0439 83 THR A OG1 678 C CG2 . THR A 83 ? 0.2636 0.2677 0.2311 -0.0064 0.0342 -0.0545 83 THR A CG2 679 N N . ASN A 84 ? 0.1576 0.1247 0.1315 0.0163 0.0208 -0.0216 84 ASN A N 680 C CA . ASN A 84 ? 0.1735 0.1419 0.1471 0.0198 0.0196 -0.0169 84 ASN A CA 681 C C . ASN A 84 ? 0.1861 0.1730 0.1581 0.0136 0.0247 -0.0255 84 ASN A C 682 O O . ASN A 84 ? 0.1979 0.1997 0.1796 0.0107 0.0294 -0.0415 84 ASN A O 683 C CB . ASN A 84 ? 0.2045 0.1646 0.1942 0.0290 0.0130 -0.0181 84 ASN A CB 684 C CG . ASN A 84 ? 0.2222 0.1643 0.2092 0.0305 0.0065 -0.0064 84 ASN A CG 685 O OD1 . ASN A 84 ? 0.2204 0.1589 0.1928 0.0267 0.0086 0.0042 84 ASN A OD1 686 N ND2 . ASN A 84 ? 0.2578 0.1895 0.2615 0.0349 -0.0023 -0.0092 84 ASN A ND2 687 N N . VAL A 85 ? 0.1803 0.1679 0.1411 0.0101 0.0238 -0.0165 85 VAL A N 688 C CA . VAL A 85 ? 0.1822 0.1862 0.1396 0.0018 0.0270 -0.0211 85 VAL A CA 689 C C . VAL A 85 ? 0.1382 0.1393 0.1018 0.0093 0.0236 -0.0173 85 VAL A C 690 O O . VAL A 85 ? 0.1656 0.1551 0.1213 0.0114 0.0191 -0.0059 85 VAL A O 691 C CB . VAL A 85 ? 0.1763 0.1800 0.1143 -0.0119 0.0242 -0.0107 85 VAL A CB 692 C CG1 . VAL A 85 ? 0.1586 0.1783 0.0898 -0.0247 0.0260 -0.0123 85 VAL A CG1 693 C CG2 . VAL A 85 ? 0.2064 0.2107 0.1357 -0.0207 0.0248 -0.0120 85 VAL A CG2 694 N N . PRO A 86 ? 0.1263 0.1391 0.1071 0.0135 0.0252 -0.0291 86 PRO A N 695 C CA . PRO A 86 ? 0.1452 0.1538 0.1328 0.0208 0.0197 -0.0249 86 PRO A CA 696 C C . PRO A 86 ? 0.1646 0.1798 0.1406 0.0125 0.0203 -0.0192 86 PRO A C 697 O O . PRO A 86 ? 0.1752 0.2036 0.1428 -0.0004 0.0249 -0.0216 86 PRO A O 698 C CB . PRO A 86 ? 0.1439 0.1654 0.1593 0.0269 0.0195 -0.0416 86 PRO A CB 699 C CG . PRO A 86 ? 0.1418 0.1856 0.1610 0.0175 0.0299 -0.0581 86 PRO A CG 700 C CD . PRO A 86 ? 0.1443 0.1770 0.1423 0.0115 0.0316 -0.0492 86 PRO A CD 701 N N . PRO A 87 ? 0.1247 0.1303 0.0987 0.0177 0.0143 -0.0112 87 PRO A N 702 C CA . PRO A 87 ? 0.1300 0.1378 0.0949 0.0106 0.0122 -0.0052 87 PRO A CA 703 C C . PRO A 87 ? 0.1676 0.1950 0.1423 0.0051 0.0145 -0.0131 87 PRO A C 704 O O . PRO A 87 ? 0.1661 0.2041 0.1603 0.0112 0.0159 -0.0243 87 PRO A O 705 C CB . PRO A 87 ? 0.1321 0.1249 0.0935 0.0188 0.0057 0.0021 87 PRO A CB 706 C CG . PRO A 87 ? 0.1540 0.1425 0.1250 0.0278 0.0034 -0.0003 87 PRO A CG 707 C CD . PRO A 87 ? 0.1259 0.1168 0.1031 0.0279 0.0077 -0.0061 87 PRO A CD 708 N N . GLU A 88 ? 0.1184 0.1504 0.0823 -0.0075 0.0133 -0.0075 88 GLU A N 709 C CA . GLU A 88 ? 0.1285 0.1770 0.0994 -0.0144 0.0139 -0.0115 88 GLU A CA 710 C C . GLU A 88 ? 0.1556 0.1883 0.1260 -0.0062 0.0047 -0.0035 88 GLU A C 711 O O . GLU A 88 ? 0.2010 0.2153 0.1603 -0.0047 -0.0014 0.0058 88 GLU A O 712 C CB . GLU A 88 ? 0.2021 0.2608 0.1577 -0.0362 0.0146 -0.0061 88 GLU A CB 713 C CG . GLU A 88 ? 0.3303 0.4107 0.2817 -0.0500 0.0250 -0.0158 88 GLU A CG 714 C CD . GLU A 88 ? 0.4485 0.5399 0.3792 -0.0773 0.0237 -0.0074 88 GLU A CD 715 O OE1 . GLU A 88 ? 0.4562 0.5350 0.3793 -0.0837 0.0126 0.0068 88 GLU A OE1 716 O OE2 . GLU A 88 ? 0.5074 0.6130 0.4368 -0.0891 0.0280 -0.0153 88 GLU A OE2 717 N N . VAL A 89 ? 0.1210 0.1624 0.1059 -0.0013 0.0032 -0.0093 89 VAL A N 718 C CA . VAL A 89 ? 0.1228 0.1501 0.1056 0.0057 -0.0059 -0.0030 89 VAL A CA 719 C C . VAL A 89 ? 0.1345 0.1747 0.1240 -0.0020 -0.0084 -0.0044 89 VAL A C 720 O O . VAL A 89 ? 0.1541 0.2167 0.1604 -0.0055 -0.0035 -0.0146 89 VAL A O 721 C CB . VAL A 89 ? 0.1699 0.1900 0.1620 0.0193 -0.0102 -0.0053 89 VAL A CB 722 C CG1 . VAL A 89 ? 0.1855 0.1942 0.1712 0.0228 -0.0193 0.0005 89 VAL A CG1 723 C CG2 . VAL A 89 ? 0.1613 0.1688 0.1461 0.0245 -0.0082 -0.0026 89 VAL A CG2 724 N N . THR A 90 ? 0.1324 0.1600 0.1120 -0.0052 -0.0161 0.0037 90 THR A N 725 C CA A THR A 90 ? 0.1355 0.1718 0.1199 -0.0137 -0.0206 0.0044 90 THR A CA 726 C CA B THR A 90 ? 0.1363 0.1729 0.1213 -0.0133 -0.0205 0.0041 90 THR A CA 727 C C . THR A 90 ? 0.1585 0.1789 0.1407 -0.0055 -0.0306 0.0072 90 THR A C 728 O O . THR A 90 ? 0.1879 0.1904 0.1598 -0.0002 -0.0342 0.0103 90 THR A O 729 C CB A THR A 90 ? 0.1542 0.1907 0.1276 -0.0321 -0.0232 0.0126 90 THR A CB 730 C CB B THR A 90 ? 0.1575 0.1977 0.1328 -0.0327 -0.0221 0.0113 90 THR A CB 731 O OG1 A THR A 90 ? 0.1867 0.2361 0.1549 -0.0423 -0.0143 0.0110 90 THR A OG1 732 O OG1 B THR A 90 ? 0.1676 0.1837 0.1307 -0.0324 -0.0305 0.0206 90 THR A OG1 733 C CG2 A THR A 90 ? 0.1601 0.2103 0.1393 -0.0450 -0.0266 0.0133 90 THR A CG2 734 C CG2 B THR A 90 ? 0.1612 0.2240 0.1357 -0.0456 -0.0109 0.0064 90 THR A CG2 735 N N . VAL A 91 ? 0.1561 0.1859 0.1494 -0.0055 -0.0346 0.0040 91 VAL A N 736 C CA . VAL A 91 ? 0.1578 0.1746 0.1470 -0.0010 -0.0446 0.0059 91 VAL A CA 737 C C . VAL A 91 ? 0.1878 0.2089 0.1805 -0.0126 -0.0506 0.0084 91 VAL A C 738 O O . VAL A 91 ? 0.2042 0.2457 0.2093 -0.0211 -0.0476 0.0058 91 VAL A O 739 C CB . VAL A 91 ? 0.1578 0.1768 0.1550 0.0087 -0.0492 0.0025 91 VAL A CB 740 C CG1 . VAL A 91 ? 0.2105 0.2202 0.2013 0.0090 -0.0598 0.0038 91 VAL A CG1 741 C CG2 . VAL A 91 ? 0.2354 0.2445 0.2249 0.0174 -0.0471 0.0036 91 VAL A CG2 742 N N . LEU A 92 ? 0.1706 0.1738 0.1550 -0.0138 -0.0593 0.0116 92 LEU A N 743 C CA . LEU A 92 ? 0.2241 0.2258 0.2122 -0.0251 -0.0688 0.0153 92 LEU A CA 744 C C . LEU A 92 ? 0.2427 0.2272 0.2283 -0.0182 -0.0793 0.0114 92 LEU A C 745 O O . LEU A 92 ? 0.2582 0.2336 0.2365 -0.0076 -0.0775 0.0059 92 LEU A O 746 C CB . LEU A 92 ? 0.2672 0.2630 0.2508 -0.0396 -0.0723 0.0242 92 LEU A CB 747 C CG . LEU A 92 ? 0.3706 0.3441 0.3489 -0.0347 -0.0779 0.0262 92 LEU A CG 748 C CD1 . LEU A 92 ? 0.4298 0.3914 0.4076 -0.0516 -0.0914 0.0378 92 LEU A CD1 749 C CD2 . LEU A 92 ? 0.3841 0.3613 0.3565 -0.0275 -0.0660 0.0243 92 LEU A CD2 750 N N . THR A 93 ? 0.2301 0.2124 0.2215 -0.0260 -0.0897 0.0128 93 THR A N 751 C CA . THR A 93 ? 0.2256 0.1915 0.2163 -0.0210 -0.1004 0.0062 93 THR A CA 752 C C . THR A 93 ? 0.2576 0.2050 0.2538 -0.0272 -0.1118 0.0092 93 THR A C 753 O O . THR A 93 ? 0.2522 0.1998 0.2495 -0.0396 -0.1141 0.0206 93 THR A O 754 C CB . THR A 93 ? 0.2537 0.2252 0.2501 -0.0247 -0.1083 0.0046 93 THR A CB 755 O OG1 . THR A 93 ? 0.2550 0.2314 0.2602 -0.0403 -0.1142 0.0132 93 THR A OG1 756 C CG2 . THR A 93 ? 0.2759 0.2642 0.2725 -0.0189 -0.1018 0.0028 93 THR A CG2 757 N N . ASN A 94 ? 0.2527 0.1846 0.2537 -0.0199 -0.1203 -0.0017 94 ASN A N 758 C CA . ASN A 94 ? 0.3128 0.2249 0.3268 -0.0234 -0.1334 0.0003 94 ASN A CA 759 C C . ASN A 94 ? 0.2493 0.1519 0.2720 -0.0324 -0.1445 0.0074 94 ASN A C 760 O O . ASN A 94 ? 0.2876 0.1730 0.3196 -0.0368 -0.1558 0.0157 94 ASN A O 761 C CB . ASN A 94 ? 0.4247 0.3269 0.4478 -0.0098 -0.1350 -0.0174 94 ASN A CB 762 C CG . ASN A 94 ? 0.4790 0.3809 0.5075 -0.0029 -0.1371 -0.0347 94 ASN A CG 763 O OD1 . ASN A 94 ? 0.4558 0.3657 0.4750 -0.0059 -0.1358 -0.0345 94 ASN A OD1 764 N ND2 . ASN A 94 ? 0.5041 0.4002 0.5497 0.0066 -0.1397 -0.0505 94 ASN A ND2 765 N N . SER A 95 ? 0.2505 0.1641 0.2701 -0.0350 -0.1427 0.0057 95 SER A N 766 C CA . SER A 95 ? 0.2769 0.1838 0.3035 -0.0445 -0.1526 0.0127 95 SER A CA 767 C C . SER A 95 ? 0.2512 0.1802 0.2730 -0.0528 -0.1462 0.0171 95 SER A C 768 O O . SER A 95 ? 0.2390 0.1853 0.2551 -0.0468 -0.1368 0.0115 95 SER A O 769 C CB . SER A 95 ? 0.3414 0.2341 0.3792 -0.0343 -0.1622 -0.0018 95 SER A CB 770 O OG . SER A 95 ? 0.4703 0.3755 0.5009 -0.0276 -0.1559 -0.0153 95 SER A OG 771 N N . PRO A 96 ? 0.2653 0.1947 0.2912 -0.0665 -0.1523 0.0272 96 PRO A N 772 C CA . PRO A 96 ? 0.2594 0.2130 0.2869 -0.0744 -0.1468 0.0285 96 PRO A CA 773 C C . PRO A 96 ? 0.2636 0.2227 0.2927 -0.0615 -0.1462 0.0150 96 PRO A C 774 O O . PRO A 96 ? 0.2696 0.2121 0.2991 -0.0533 -0.1535 0.0063 96 PRO A O 775 C CB . PRO A 96 ? 0.2915 0.2374 0.3233 -0.0888 -0.1568 0.0389 96 PRO A CB 776 C CG . PRO A 96 ? 0.3340 0.2572 0.3621 -0.0938 -0.1653 0.0504 96 PRO A CG 777 C CD . PRO A 96 ? 0.3227 0.2309 0.3530 -0.0756 -0.1659 0.0389 96 PRO A CD 778 N N . VAL A 97 ? 0.3025 0.2854 0.3334 -0.0601 -0.1387 0.0128 97 VAL A N 779 C CA . VAL A 97 ? 0.2948 0.2813 0.3238 -0.0484 -0.1395 0.0034 97 VAL A CA 780 C C . VAL A 97 ? 0.3110 0.3009 0.3480 -0.0530 -0.1469 0.0020 97 VAL A C 781 O O . VAL A 97 ? 0.3138 0.3196 0.3632 -0.0643 -0.1467 0.0071 97 VAL A O 782 C CB . VAL A 97 ? 0.2884 0.2950 0.3199 -0.0426 -0.1321 0.0023 97 VAL A CB 783 C CG1 . VAL A 97 ? 0.3463 0.3523 0.3728 -0.0324 -0.1355 -0.0035 97 VAL A CG1 784 C CG2 . VAL A 97 ? 0.3120 0.3146 0.3344 -0.0377 -0.1250 0.0035 97 VAL A CG2 785 N N . GLU A 98 ? 0.2743 0.2513 0.3040 -0.0456 -0.1527 -0.0062 98 GLU A N 786 C CA . GLU A 98 ? 0.3098 0.2901 0.3447 -0.0483 -0.1600 -0.0086 98 GLU A CA 787 C C . GLU A 98 ? 0.3114 0.2923 0.3335 -0.0392 -0.1607 -0.0159 98 GLU A C 788 O O . GLU A 98 ? 0.3154 0.2868 0.3220 -0.0330 -0.1582 -0.0228 98 GLU A O 789 C CB . GLU A 98 ? 0.4351 0.3966 0.4726 -0.0526 -0.1692 -0.0107 98 GLU A CB 790 C CG . GLU A 98 ? 0.6006 0.5585 0.6479 -0.0650 -0.1717 0.0007 98 GLU A CG 791 C CD . GLU A 98 ? 0.7860 0.7173 0.8357 -0.0648 -0.1821 -0.0005 98 GLU A CD 792 O OE1 . GLU A 98 ? 0.8364 0.7563 0.8837 -0.0545 -0.1859 -0.0142 98 GLU A OE1 793 O OE2 . GLU A 98 ? 0.8804 0.8034 0.9351 -0.0755 -0.1871 0.0118 98 GLU A OE2 794 N N . LEU A 99 ? 0.3359 0.3293 0.3646 -0.0402 -0.1645 -0.0144 99 LEU A N 795 C CA . LEU A 99 ? 0.3331 0.3263 0.3480 -0.0349 -0.1677 -0.0174 99 LEU A CA 796 C C . LEU A 99 ? 0.3277 0.3072 0.3230 -0.0349 -0.1710 -0.0274 99 LEU A C 797 O O . LEU A 99 ? 0.3558 0.3278 0.3561 -0.0388 -0.1763 -0.0327 99 LEU A O 798 C CB . LEU A 99 ? 0.3127 0.3181 0.3420 -0.0371 -0.1753 -0.0142 99 LEU A CB 799 C CG . LEU A 99 ? 0.3570 0.3818 0.4097 -0.0351 -0.1729 -0.0095 99 LEU A CG 800 C CD1 . LEU A 99 ? 0.3643 0.4006 0.4353 -0.0366 -0.1822 -0.0091 99 LEU A CD1 801 C CD2 . LEU A 99 ? 0.3906 0.4138 0.4349 -0.0269 -0.1688 -0.0071 99 LEU A CD2 802 N N . ARG A 100 ? 0.3539 0.3318 0.3278 -0.0318 -0.1676 -0.0311 100 ARG A N 803 C CA . ARG A 100 ? 0.4402 0.4134 0.3935 -0.0344 -0.1685 -0.0444 100 ARG A CA 804 C C . ARG A 100 ? 0.4715 0.4349 0.4294 -0.0329 -0.1656 -0.0576 100 ARG A C 805 O O . ARG A 100 ? 0.5265 0.4883 0.4757 -0.0355 -0.1665 -0.0732 100 ARG A O 806 C CB . ARG A 100 ? 0.5163 0.4922 0.4660 -0.0402 -0.1784 -0.0466 100 ARG A CB 807 C CG . ARG A 100 ? 0.6097 0.5927 0.5528 -0.0416 -0.1838 -0.0356 100 ARG A CG 808 C CD . ARG A 100 ? 0.6927 0.6774 0.6332 -0.0477 -0.1950 -0.0374 100 ARG A CD 809 N NE . ARG A 100 ? 0.7508 0.7340 0.7155 -0.0483 -0.1997 -0.0381 100 ARG A NE 810 C CZ . ARG A 100 ? 0.7481 0.7374 0.7374 -0.0470 -0.2030 -0.0283 100 ARG A CZ 811 N NH1 . ARG A 100 ? 0.7581 0.7478 0.7663 -0.0505 -0.2065 -0.0291 100 ARG A NH1 812 N NH2 . ARG A 100 ? 0.7147 0.7111 0.7116 -0.0431 -0.2030 -0.0190 100 ARG A NH2 813 N N . GLU A 101 ? 0.3672 0.3249 0.3406 -0.0294 -0.1624 -0.0523 101 GLU A N 814 C CA . GLU A 101 ? 0.3626 0.3087 0.3444 -0.0263 -0.1614 -0.0630 101 GLU A CA 815 C C . GLU A 101 ? 0.3536 0.3007 0.3281 -0.0210 -0.1517 -0.0641 101 GLU A C 816 O O . GLU A 101 ? 0.3280 0.2775 0.3061 -0.0200 -0.1483 -0.0508 101 GLU A O 817 C CB . GLU A 101 ? 0.3710 0.3069 0.3757 -0.0291 -0.1683 -0.0537 101 GLU A CB 818 C CG . GLU A 101 ? 0.4536 0.3886 0.4668 -0.0354 -0.1779 -0.0509 101 GLU A CG 819 C CD . GLU A 101 ? 0.5762 0.5035 0.5896 -0.0344 -0.1841 -0.0682 101 GLU A CD 820 O OE1 . GLU A 101 ? 0.6013 0.5232 0.6154 -0.0288 -0.1813 -0.0832 101 GLU A OE1 821 O OE2 . GLU A 101 ? 0.6206 0.5493 0.6358 -0.0393 -0.1914 -0.0683 101 GLU A OE2 822 N N . PRO A 102 ? 0.3212 0.2693 0.2863 -0.0186 -0.1458 -0.0815 102 PRO A N 823 C CA . PRO A 102 ? 0.3361 0.2872 0.2932 -0.0142 -0.1354 -0.0851 102 PRO A CA 824 C C . PRO A 102 ? 0.3495 0.2916 0.3245 -0.0095 -0.1360 -0.0747 102 PRO A C 825 O O . PRO A 102 ? 0.3260 0.2563 0.3223 -0.0091 -0.1438 -0.0731 102 PRO A O 826 C CB . PRO A 102 ? 0.3594 0.3127 0.3174 -0.0131 -0.1299 -0.1095 102 PRO A CB 827 C CG . PRO A 102 ? 0.3505 0.3082 0.2986 -0.0205 -0.1345 -0.1172 102 PRO A CG 828 C CD . PRO A 102 ? 0.3853 0.3351 0.3464 -0.0215 -0.1472 -0.1008 102 PRO A CD 829 N N . ASN A 103 ? 0.2749 0.2220 0.2395 -0.0077 -0.1289 -0.0658 103 ASN A N 830 C CA . ASN A 103 ? 0.2615 0.2030 0.2381 -0.0057 -0.1283 -0.0552 103 ASN A CA 831 C C . ASN A 103 ? 0.2475 0.1935 0.2113 -0.0008 -0.1179 -0.0587 103 ASN A C 832 O O . ASN A 103 ? 0.2720 0.2257 0.2182 -0.0005 -0.1110 -0.0692 103 ASN A O 833 C CB . ASN A 103 ? 0.2438 0.1912 0.2243 -0.0109 -0.1303 -0.0364 103 ASN A CB 834 C CG . ASN A 103 ? 0.3066 0.2483 0.3021 -0.0157 -0.1326 -0.0254 103 ASN A CG 835 O OD1 . ASN A 103 ? 0.2882 0.2250 0.2848 -0.0134 -0.1296 -0.0246 103 ASN A OD1 836 N ND2 . ASN A 103 ? 0.3020 0.2456 0.3076 -0.0247 -0.1380 -0.0162 103 ASN A ND2 837 N N . VAL A 104 ? 0.2335 0.1769 0.2048 0.0009 -0.1141 -0.0485 104 VAL A N 838 C CA . VAL A 104 ? 0.2622 0.2107 0.2238 0.0056 -0.1009 -0.0487 104 VAL A CA 839 C C . VAL A 104 ? 0.2518 0.2045 0.2138 0.0048 -0.0953 -0.0307 104 VAL A C 840 O O . VAL A 104 ? 0.2017 0.1511 0.1762 0.0006 -0.0995 -0.0217 104 VAL A O 841 C CB . VAL A 104 ? 0.2309 0.1722 0.2068 0.0105 -0.1001 -0.0620 104 VAL A CB 842 C CG1 . VAL A 104 ? 0.2535 0.2025 0.2194 0.0143 -0.0858 -0.0623 104 VAL A CG1 843 C CG2 . VAL A 104 ? 0.2499 0.1911 0.2333 0.0121 -0.1043 -0.0855 104 VAL A CG2 844 N N . LEU A 105 ? 0.2019 0.1626 0.1499 0.0070 -0.0868 -0.0261 105 LEU A N 845 C CA . LEU A 105 ? 0.1869 0.1528 0.1384 0.0079 -0.0803 -0.0143 105 LEU A CA 846 C C . LEU A 105 ? 0.2071 0.1693 0.1584 0.0112 -0.0720 -0.0157 105 LEU A C 847 O O . LEU A 105 ? 0.2198 0.1811 0.1626 0.0140 -0.0673 -0.0246 105 LEU A O 848 C CB . LEU A 105 ? 0.1983 0.1710 0.1407 0.0095 -0.0793 -0.0088 105 LEU A CB 849 C CG . LEU A 105 ? 0.2748 0.2536 0.2259 0.0070 -0.0888 -0.0049 105 LEU A CG 850 C CD1 . LEU A 105 ? 0.3082 0.2884 0.2514 0.0085 -0.0940 0.0001 105 LEU A CD1 851 C CD2 . LEU A 105 ? 0.2462 0.2351 0.2182 0.0049 -0.0864 -0.0004 105 LEU A CD2 852 N N . ILE A 106 ? 0.1743 0.1367 0.1349 0.0087 -0.0703 -0.0077 106 ILE A N 853 C CA . ILE A 106 ? 0.1754 0.1341 0.1367 0.0109 -0.0643 -0.0072 106 ILE A CA 854 C C . ILE A 106 ? 0.2162 0.1838 0.1746 0.0112 -0.0554 0.0004 106 ILE A C 855 O O . ILE A 106 ? 0.1944 0.1710 0.1590 0.0061 -0.0551 0.0058 106 ILE A O 856 C CB . ILE A 106 ? 0.1944 0.1435 0.1677 0.0050 -0.0729 -0.0034 106 ILE A CB 857 C CG1 . ILE A 106 ? 0.2082 0.1462 0.1915 0.0052 -0.0855 -0.0124 106 ILE A CG1 858 C CG2 . ILE A 106 ? 0.1960 0.1399 0.1714 0.0074 -0.0694 -0.0029 106 ILE A CG2 859 C CD1 . ILE A 106 ? 0.2557 0.1794 0.2533 -0.0027 -0.1006 -0.0056 106 ILE A CD1 860 N N . CYS A 107 ? 0.1679 0.1352 0.1188 0.0163 -0.0479 -0.0011 107 CYS A N 861 C CA . CYS A 107 ? 0.1460 0.1192 0.0973 0.0173 -0.0407 0.0041 107 CYS A CA 862 C C . CYS A 107 ? 0.1850 0.1539 0.1379 0.0160 -0.0370 0.0053 107 CYS A C 863 O O . CYS A 107 ? 0.2086 0.1717 0.1590 0.0195 -0.0353 0.0007 107 CYS A O 864 C CB . CYS A 107 ? 0.1532 0.1266 0.0952 0.0218 -0.0380 0.0044 107 CYS A CB 865 S SG . CYS A 107 ? 0.2003 0.1786 0.1491 0.0246 -0.0325 0.0086 107 CYS A SG 866 N N . PHE A 108 ? 0.1343 0.1083 0.0918 0.0092 -0.0362 0.0105 108 PHE A N 867 C CA . PHE A 108 ? 0.1766 0.1453 0.1337 0.0051 -0.0360 0.0141 108 PHE A CA 868 C C . PHE A 108 ? 0.2286 0.2050 0.1829 0.0066 -0.0260 0.0143 108 PHE A C 869 O O . PHE A 108 ? 0.2059 0.1957 0.1633 0.0031 -0.0211 0.0135 108 PHE A O 870 C CB . PHE A 108 ? 0.1933 0.1619 0.1521 -0.0088 -0.0437 0.0214 108 PHE A CB 871 C CG . PHE A 108 ? 0.2862 0.2467 0.2428 -0.0161 -0.0483 0.0281 108 PHE A CG 872 C CD1 . PHE A 108 ? 0.3340 0.2815 0.2960 -0.0078 -0.0521 0.0250 108 PHE A CD1 873 C CD2 . PHE A 108 ? 0.3410 0.3087 0.2904 -0.0333 -0.0495 0.0368 108 PHE A CD2 874 C CE1 . PHE A 108 ? 0.3540 0.2927 0.3171 -0.0144 -0.0596 0.0317 108 PHE A CE1 875 C CE2 . PHE A 108 ? 0.3205 0.2789 0.2649 -0.0427 -0.0570 0.0452 108 PHE A CE2 876 C CZ . PHE A 108 ? 0.3051 0.2472 0.2578 -0.0322 -0.0635 0.0434 108 PHE A CZ 877 N N . ILE A 109 ? 0.1559 0.1256 0.1076 0.0118 -0.0231 0.0132 109 ILE A N 878 C CA . ILE A 109 ? 0.1440 0.1183 0.0938 0.0137 -0.0150 0.0131 109 ILE A CA 879 C C . ILE A 109 ? 0.1671 0.1377 0.1154 0.0074 -0.0161 0.0168 109 ILE A C 880 O O . ILE A 109 ? 0.1780 0.1386 0.1291 0.0094 -0.0211 0.0170 109 ILE A O 881 C CB . ILE A 109 ? 0.1455 0.1154 0.0915 0.0219 -0.0116 0.0105 109 ILE A CB 882 C CG1 . ILE A 109 ? 0.1804 0.1514 0.1240 0.0249 -0.0146 0.0094 109 ILE A CG1 883 C CG2 . ILE A 109 ? 0.1465 0.1187 0.0928 0.0236 -0.0059 0.0111 109 ILE A CG2 884 C CD1 . ILE A 109 ? 0.2825 0.2493 0.2194 0.0258 -0.0166 0.0054 109 ILE A CD1 885 N N . ASP A 110 ? 0.1520 0.1323 0.0977 -0.0014 -0.0124 0.0184 110 ASP A N 886 C CA . ASP A 110 ? 0.1613 0.1381 0.1012 -0.0133 -0.0174 0.0251 110 ASP A CA 887 C C . ASP A 110 ? 0.1993 0.1847 0.1342 -0.0173 -0.0092 0.0228 110 ASP A C 888 O O . ASP A 110 ? 0.1745 0.1727 0.1135 -0.0136 0.0004 0.0144 110 ASP A O 889 C CB . ASP A 110 ? 0.1970 0.1792 0.1323 -0.0294 -0.0238 0.0312 110 ASP A CB 890 C CG . ASP A 110 ? 0.2558 0.2269 0.1837 -0.0445 -0.0371 0.0432 110 ASP A CG 891 O OD1 . ASP A 110 ? 0.2249 0.1823 0.1568 -0.0394 -0.0433 0.0453 110 ASP A OD1 892 O OD2 . ASP A 110 ? 0.2457 0.2229 0.1673 -0.0625 -0.0420 0.0495 110 ASP A OD2 893 N N . LYS A 111 ? 0.1424 0.1197 0.0716 -0.0247 -0.0153 0.0293 111 LYS A N 894 C CA . LYS A 111 ? 0.1645 0.1501 0.0852 -0.0335 -0.0099 0.0282 111 LYS A CA 895 C C . LYS A 111 ? 0.1712 0.1599 0.0984 -0.0205 0.0008 0.0187 111 LYS A C 896 O O . LYS A 111 ? 0.1706 0.1741 0.0981 -0.0235 0.0099 0.0097 111 LYS A O 897 C CB . LYS A 111 ? 0.2045 0.2107 0.1152 -0.0519 -0.0047 0.0261 111 LYS A CB 898 C CG . LYS A 111 ? 0.3219 0.3351 0.2279 -0.0657 -0.0047 0.0253 111 LYS A CG 899 C CD . LYS A 111 ? 0.3467 0.3781 0.2477 -0.0867 -0.0046 0.0240 111 LYS A CD 900 C CE . LYS A 111 ? 0.4179 0.4557 0.3108 -0.1032 -0.0070 0.0237 111 LYS A CE 901 N NZ . LYS A 111 ? 0.3756 0.4323 0.2602 -0.1279 -0.0090 0.0228 111 LYS A NZ 902 N N . PHE A 112 ? 0.1434 0.1194 0.0775 -0.0075 -0.0010 0.0193 112 PHE A N 903 C CA . PHE A 112 ? 0.1391 0.1153 0.0780 0.0023 0.0064 0.0134 112 PHE A CA 904 C C . PHE A 112 ? 0.1553 0.1217 0.0956 0.0059 0.0046 0.0160 112 PHE A C 905 O O . PHE A 112 ? 0.1685 0.1276 0.1117 0.0051 -0.0027 0.0199 112 PHE A O 906 C CB . PHE A 112 ? 0.1501 0.1258 0.0950 0.0125 0.0080 0.0105 112 PHE A CB 907 C CG . PHE A 112 ? 0.1360 0.1031 0.0805 0.0174 0.0040 0.0135 112 PHE A CG 908 C CD1 . PHE A 112 ? 0.1587 0.1207 0.1031 0.0222 0.0060 0.0131 112 PHE A CD1 909 C CD2 . PHE A 112 ? 0.1664 0.1328 0.1113 0.0155 -0.0014 0.0147 112 PHE A CD2 910 C CE1 . PHE A 112 ? 0.1516 0.1120 0.0965 0.0246 0.0048 0.0110 112 PHE A CE1 911 C CE2 . PHE A 112 ? 0.1775 0.1387 0.1249 0.0200 -0.0045 0.0127 112 PHE A CE2 912 C CZ . PHE A 112 ? 0.1766 0.1368 0.1240 0.0244 -0.0003 0.0094 112 PHE A CZ 913 N N . THR A 113 ? 0.0941 0.1075 0.1143 0.0025 0.0042 -0.0022 113 THR A N 914 C CA . THR A 113 ? 0.0945 0.1059 0.1174 0.0019 0.0069 0.0000 113 THR A CA 915 C C . THR A 113 ? 0.1107 0.1188 0.1487 0.0005 0.0007 0.0012 113 THR A C 916 O O . THR A 113 ? 0.1163 0.1264 0.1656 0.0027 -0.0058 -0.0043 113 THR A O 917 C CB . THR A 113 ? 0.1267 0.1474 0.1533 0.0050 0.0103 -0.0055 113 THR A CB 918 O OG1 . THR A 113 ? 0.1098 0.1289 0.1342 0.0040 0.0145 -0.0028 113 THR A OG1 919 C CG2 . THR A 113 ? 0.1385 0.1688 0.1828 0.0084 0.0059 -0.0137 113 THR A CG2 920 N N . PRO A 114 ? 0.1187 0.1229 0.1583 -0.0034 0.0016 0.0087 114 PRO A N 921 C CA . PRO A 114 ? 0.0931 0.0996 0.1208 -0.0055 0.0089 0.0142 114 PRO A CA 922 C C . PRO A 114 ? 0.1202 0.1236 0.1293 -0.0061 0.0111 0.0186 114 PRO A C 923 O O . PRO A 114 ? 0.1430 0.1403 0.1495 -0.0064 0.0067 0.0197 114 PRO A O 924 C CB . PRO A 114 ? 0.1292 0.1360 0.1689 -0.0110 0.0067 0.0225 114 PRO A CB 925 C CG . PRO A 114 ? 0.1590 0.1571 0.2108 -0.0128 -0.0032 0.0251 114 PRO A CG 926 C CD . PRO A 114 ? 0.1491 0.1478 0.2057 -0.0064 -0.0067 0.0126 114 PRO A CD 927 N N . PRO A 115 ? 0.1247 0.1335 0.1219 -0.0051 0.0169 0.0190 115 PRO A N 928 C CA . PRO A 115 ? 0.1459 0.1538 0.1264 -0.0035 0.0177 0.0199 115 PRO A CA 929 C C . PRO A 115 ? 0.1830 0.1941 0.1584 -0.0075 0.0170 0.0297 115 PRO A C 930 O O . PRO A 115 ? 0.1871 0.2100 0.1538 -0.0075 0.0213 0.0324 115 PRO A O 931 C CB . PRO A 115 ? 0.1429 0.1582 0.1161 0.0006 0.0224 0.0143 115 PRO A CB 932 C CG . PRO A 115 ? 0.1426 0.1660 0.1272 -0.0015 0.0260 0.0155 115 PRO A CG 933 C CD . PRO A 115 ? 0.1298 0.1468 0.1296 -0.0034 0.0219 0.0154 115 PRO A CD 934 N N . VAL A 116 ? 0.1825 0.1856 0.1640 -0.0106 0.0111 0.0348 116 VAL A N 935 C CA . VAL A 116 ? 0.1609 0.1651 0.1371 -0.0147 0.0084 0.0457 116 VAL A CA 936 C C . VAL A 116 ? 0.1843 0.1766 0.1601 -0.0135 0.0013 0.0442 116 VAL A C 937 O O . VAL A 116 ? 0.1864 0.1711 0.1756 -0.0130 -0.0037 0.0399 116 VAL A O 938 C CB . VAL A 116 ? 0.1844 0.1903 0.1752 -0.0222 0.0056 0.0575 116 VAL A CB 939 C CG1 . VAL A 116 ? 0.2166 0.2250 0.2006 -0.0275 0.0021 0.0718 116 VAL A CG1 940 C CG2 . VAL A 116 ? 0.2143 0.2334 0.2094 -0.0242 0.0124 0.0588 116 VAL A CG2 941 N N . VAL A 117 ? 0.1646 0.1577 0.1257 -0.0120 0.0004 0.0462 117 VAL A N 942 C CA A VAL A 117 ? 0.1793 0.1621 0.1396 -0.0107 -0.0065 0.0445 117 VAL A CA 943 C CA B VAL A 117 ? 0.1733 0.1561 0.1335 -0.0108 -0.0066 0.0446 117 VAL A CA 944 C C . VAL A 117 ? 0.1898 0.1759 0.1363 -0.0114 -0.0089 0.0524 117 VAL A C 945 O O . VAL A 117 ? 0.2517 0.2510 0.1854 -0.0104 -0.0040 0.0549 117 VAL A O 946 C CB A VAL A 117 ? 0.1911 0.1701 0.1483 -0.0058 -0.0061 0.0327 117 VAL A CB 947 C CB B VAL A 117 ? 0.1911 0.1698 0.1477 -0.0058 -0.0066 0.0331 117 VAL A CB 948 C CG1 A VAL A 117 ? 0.1704 0.1538 0.1115 -0.0016 -0.0040 0.0290 117 VAL A CG1 949 C CG1 B VAL A 117 ? 0.1752 0.1516 0.1463 -0.0056 -0.0072 0.0267 117 VAL A CG1 950 C CG2 A VAL A 117 ? 0.2197 0.1905 0.1830 -0.0054 -0.0131 0.0298 117 VAL A CG2 951 C CG2 B VAL A 117 ? 0.2048 0.1900 0.1490 -0.0019 -0.0017 0.0281 117 VAL A CG2 952 N N . ASN A 118 ? 0.1832 0.1598 0.1327 -0.0124 -0.0170 0.0556 118 ASN A N 953 C CA . ASN A 118 ? 0.2546 0.2335 0.1901 -0.0117 -0.0204 0.0614 118 ASN A CA 954 C C . ASN A 118 ? 0.2577 0.2283 0.1904 -0.0063 -0.0246 0.0503 118 ASN A C 955 O O . ASN A 118 ? 0.2579 0.2187 0.2031 -0.0064 -0.0297 0.0458 118 ASN A O 956 C CB . ASN A 118 ? 0.2917 0.2656 0.2336 -0.0176 -0.0285 0.0758 118 ASN A CB 957 C CG . ASN A 118 ? 0.3635 0.3474 0.3101 -0.0245 -0.0251 0.0886 118 ASN A CG 958 O OD1 . ASN A 118 ? 0.3623 0.3627 0.2994 -0.0241 -0.0160 0.0888 118 ASN A OD1 959 N ND2 . ASN A 118 ? 0.4514 0.4267 0.4160 -0.0296 -0.0326 0.0953 118 ASN A ND2 960 N N . VAL A 119 ? 0.2440 0.2203 0.1620 -0.0014 -0.0230 0.0447 119 VAL A N 961 C CA . VAL A 119 ? 0.2457 0.2142 0.1628 0.0030 -0.0278 0.0346 119 VAL A CA 962 C C . VAL A 119 ? 0.2643 0.2360 0.1676 0.0065 -0.0327 0.0358 119 VAL A C 963 O O . VAL A 119 ? 0.2681 0.2532 0.1574 0.0094 -0.0300 0.0374 119 VAL A O 964 C CB . VAL A 119 ? 0.2200 0.1894 0.1365 0.0066 -0.0245 0.0238 119 VAL A CB 965 C CG1 . VAL A 119 ? 0.2123 0.1737 0.1301 0.0094 -0.0310 0.0156 119 VAL A CG1 966 C CG2 . VAL A 119 ? 0.2231 0.1911 0.1522 0.0034 -0.0198 0.0230 119 VAL A CG2 967 N N . THR A 120 ? 0.2179 0.1799 0.1251 0.0070 -0.0404 0.0342 120 THR A N 968 C CA . THR A 120 ? 0.2414 0.2055 0.1360 0.0110 -0.0464 0.0346 120 THR A CA 969 C C . THR A 120 ? 0.2581 0.2136 0.1570 0.0147 -0.0526 0.0229 120 THR A C 970 O O . THR A 120 ? 0.2526 0.1997 0.1659 0.0121 -0.0550 0.0200 120 THR A O 971 C CB . THR A 120 ? 0.2723 0.2331 0.1674 0.0072 -0.0523 0.0472 120 THR A CB 972 O OG1 . THR A 120 ? 0.2740 0.2408 0.1707 0.0012 -0.0482 0.0603 120 THR A OG1 973 C CG2 . THR A 120 ? 0.3036 0.2709 0.1823 0.0116 -0.0578 0.0494 120 THR A CG2 974 N N . TRP A 121 ? 0.2181 0.1783 0.1058 0.0212 -0.0556 0.0156 121 TRP A N 975 C CA . TRP A 121 ? 0.2425 0.1948 0.1345 0.0244 -0.0637 0.0061 121 TRP A CA 976 C C . TRP A 121 ? 0.2641 0.2144 0.1513 0.0256 -0.0709 0.0104 121 TRP A C 977 O O . TRP A 121 ? 0.2535 0.2131 0.1262 0.0278 -0.0714 0.0173 121 TRP A O 978 C CB . TRP A 121 ? 0.2268 0.1836 0.1113 0.0320 -0.0669 -0.0053 121 TRP A CB 979 C CG . TRP A 121 ? 0.2174 0.1709 0.1104 0.0314 -0.0644 -0.0118 121 TRP A CG 980 C CD1 . TRP A 121 ? 0.2487 0.2106 0.1356 0.0349 -0.0601 -0.0151 121 TRP A CD1 981 C CD2 . TRP A 121 ? 0.2100 0.1526 0.1195 0.0268 -0.0670 -0.0150 121 TRP A CD2 982 N NE1 . TRP A 121 ? 0.2455 0.1991 0.1443 0.0332 -0.0610 -0.0202 121 TRP A NE1 983 C CE2 . TRP A 121 ? 0.2215 0.1639 0.1340 0.0275 -0.0651 -0.0189 121 TRP A CE2 984 C CE3 . TRP A 121 ? 0.2587 0.1944 0.1813 0.0219 -0.0713 -0.0147 121 TRP A CE3 985 C CZ2 . TRP A 121 ? 0.2542 0.1884 0.1815 0.0224 -0.0675 -0.0200 121 TRP A CZ2 986 C CZ3 . TRP A 121 ? 0.2585 0.1900 0.1959 0.0167 -0.0724 -0.0161 121 TRP A CZ3 987 C CH2 . TRP A 121 ? 0.2560 0.1861 0.1953 0.0165 -0.0707 -0.0175 121 TRP A CH2 988 N N . LEU A 122 ? 0.2154 0.1561 0.1151 0.0240 -0.0769 0.0068 122 LEU A N 989 C CA . LEU A 122 ? 0.2259 0.1632 0.1230 0.0260 -0.0855 0.0089 122 LEU A CA 990 C C . LEU A 122 ? 0.2322 0.1666 0.1339 0.0300 -0.0920 -0.0030 122 LEU A C 991 O O . LEU A 122 ? 0.2324 0.1628 0.1472 0.0278 -0.0931 -0.0099 122 LEU A O 992 C CB . LEU A 122 ? 0.2464 0.1765 0.1582 0.0211 -0.0881 0.0138 122 LEU A CB 993 C CG . LEU A 122 ? 0.2736 0.2041 0.1874 0.0162 -0.0837 0.0255 122 LEU A CG 994 C CD1 . LEU A 122 ? 0.2586 0.1824 0.1923 0.0134 -0.0882 0.0241 122 LEU A CD1 995 C CD2 . LEU A 122 ? 0.3310 0.2665 0.2319 0.0159 -0.0848 0.0380 122 LEU A CD2 996 N N . ARG A 123 ? 0.2448 0.1836 0.1379 0.0350 -0.0953 -0.0046 123 ARG A N 997 C CA . ARG A 123 ? 0.2690 0.2044 0.1686 0.0388 -0.1019 -0.0155 123 ARG A CA 998 C C . ARG A 123 ? 0.2813 0.2139 0.1819 0.0391 -0.1072 -0.0120 123 ARG A C 999 O O . ARG A 123 ? 0.2879 0.2269 0.1759 0.0409 -0.1073 -0.0043 123 ARG A O 1000 C CB . ARG A 123 ? 0.3164 0.2599 0.2065 0.0462 -0.1025 -0.0233 123 ARG A CB 1001 C CG . ARG A 123 ? 0.3332 0.2725 0.2307 0.0507 -0.1102 -0.0337 123 ARG A CG 1002 C CD . ARG A 123 ? 0.4403 0.3898 0.3279 0.0598 -0.1121 -0.0415 123 ARG A CD 1003 N NE . ARG A 123 ? 0.5571 0.5062 0.4509 0.0632 -0.1124 -0.0510 123 ARG A NE 1004 C CZ . ARG A 123 ? 0.6138 0.5743 0.4984 0.0672 -0.1079 -0.0526 123 ARG A CZ 1005 N NH1 . ARG A 123 ? 0.5846 0.5422 0.4781 0.0709 -0.1104 -0.0623 123 ARG A NH1 1006 N NH2 . ARG A 123 ? 0.6543 0.6300 0.5225 0.0670 -0.1014 -0.0438 123 ARG A NH2 1007 N N . ASN A 124 ? 0.2716 0.1970 0.1880 0.0371 -0.1118 -0.0172 124 ASN A N 1008 C CA . ASN A 124 ? 0.2790 0.2004 0.1993 0.0377 -0.1178 -0.0156 124 ASN A CA 1009 C C . ASN A 124 ? 0.2768 0.1970 0.1926 0.0348 -0.1173 -0.0028 124 ASN A C 1010 O O . ASN A 124 ? 0.3004 0.2197 0.2107 0.0362 -0.1220 0.0029 124 ASN A O 1011 C CB . ASN A 124 ? 0.3285 0.2518 0.2410 0.0440 -0.1228 -0.0203 124 ASN A CB 1012 C CG . ASN A 124 ? 0.3399 0.2626 0.2610 0.0467 -0.1246 -0.0327 124 ASN A CG 1013 O OD1 . ASN A 124 ? 0.3102 0.2303 0.2479 0.0426 -0.1244 -0.0370 124 ASN A OD1 1014 N ND2 . ASN A 124 ? 0.4062 0.3333 0.3178 0.0532 -0.1266 -0.0378 124 ASN A ND2 1015 N N . GLY A 125 ? 0.2773 0.1973 0.1967 0.0303 -0.1123 0.0024 125 GLY A N 1016 C CA . GLY A 125 ? 0.3053 0.2226 0.2262 0.0264 -0.1124 0.0143 125 GLY A CA 1017 C C . GLY A 125 ? 0.3080 0.2333 0.2122 0.0253 -0.1078 0.0279 125 GLY A C 1018 O O . GLY A 125 ? 0.2950 0.2187 0.2019 0.0209 -0.1082 0.0398 125 GLY A O 1019 N N . LYS A 126 ? 0.3199 0.2562 0.2092 0.0292 -0.1037 0.0254 126 LYS A N 1020 C CA . LYS A 126 ? 0.2787 0.2307 0.1518 0.0290 -0.0987 0.0371 126 LYS A CA 1021 C C . LYS A 126 ? 0.3060 0.2671 0.1724 0.0294 -0.0901 0.0340 126 LYS A C 1022 O O . LYS A 126 ? 0.2920 0.2502 0.1605 0.0331 -0.0897 0.0203 126 LYS A O 1023 C CB . LYS A 126 ? 0.2950 0.2590 0.1553 0.0344 -0.1022 0.0361 126 LYS A CB 1024 C CG . LYS A 126 ? 0.3054 0.2610 0.1705 0.0350 -0.1113 0.0389 126 LYS A CG 1025 C CD . LYS A 126 ? 0.4152 0.3873 0.2654 0.0394 -0.1140 0.0418 126 LYS A CD 1026 C CE . LYS A 126 ? 0.4793 0.4422 0.3339 0.0407 -0.1235 0.0439 126 LYS A CE 1027 N NZ . LYS A 126 ? 0.4934 0.4755 0.3322 0.0442 -0.1262 0.0500 126 LYS A NZ 1028 N N . PRO A 127 ? 0.2896 0.2624 0.1492 0.0256 -0.0836 0.0468 127 PRO A N 1029 C CA . PRO A 127 ? 0.3235 0.3057 0.1773 0.0258 -0.0754 0.0435 127 PRO A CA 1030 C C . PRO A 127 ? 0.2741 0.2703 0.1170 0.0327 -0.0744 0.0312 127 PRO A C 1031 O O . PRO A 127 ? 0.3165 0.3240 0.1498 0.0348 -0.0774 0.0326 127 PRO A O 1032 C CB . PRO A 127 ? 0.3499 0.3452 0.1990 0.0213 -0.0691 0.0607 127 PRO A CB 1033 C CG . PRO A 127 ? 0.3633 0.3440 0.2230 0.0167 -0.0748 0.0712 127 PRO A CG 1034 C CD . PRO A 127 ? 0.2967 0.2726 0.1564 0.0211 -0.0837 0.0644 127 PRO A CD 1035 N N . VAL A 128 ? 0.3771 0.3708 0.2233 0.0364 -0.0713 0.0184 128 VAL A N 1036 C CA . VAL A 128 ? 0.4264 0.4310 0.2678 0.0445 -0.0710 0.0041 128 VAL A CA 1037 C C . VAL A 128 ? 0.4287 0.4477 0.2656 0.0445 -0.0624 0.0039 128 VAL A C 1038 O O . VAL A 128 ? 0.4147 0.4273 0.2570 0.0405 -0.0580 0.0072 128 VAL A O 1039 C CB . VAL A 128 ? 0.4725 0.4611 0.3265 0.0488 -0.0767 -0.0115 128 VAL A CB 1040 C CG1 . VAL A 128 ? 0.5076 0.5055 0.3606 0.0584 -0.0793 -0.0267 128 VAL A CG1 1041 C CG2 . VAL A 128 ? 0.4891 0.4622 0.3516 0.0471 -0.0842 -0.0116 128 VAL A CG2 1042 N N . THR A 129 ? 0.4845 0.5238 0.3127 0.0499 -0.0601 -0.0010 129 THR A N 1043 C CA . THR A 129 ? 0.5510 0.6065 0.3776 0.0518 -0.0522 -0.0043 129 THR A CA 1044 C C . THR A 129 ? 0.5845 0.6504 0.4138 0.0641 -0.0553 -0.0237 129 THR A C 1045 O O . THR A 129 ? 0.5931 0.6692 0.4257 0.0681 -0.0513 -0.0310 129 THR A O 1046 C CB . THR A 129 ? 0.5606 0.6362 0.3770 0.0463 -0.0449 0.0104 129 THR A CB 1047 O OG1 . THR A 129 ? 0.6012 0.6901 0.4080 0.0499 -0.0483 0.0112 129 THR A OG1 1048 C CG2 . THR A 129 ? 0.5549 0.6170 0.3729 0.0345 -0.0432 0.0295 129 THR A CG2 1049 N N . THR A 130 ? 0.5819 0.6448 0.4117 0.0709 -0.0634 -0.0327 130 THR A N 1050 C CA . THR A 130 ? 0.5669 0.6392 0.4018 0.0840 -0.0684 -0.0515 130 THR A CA 1051 C C . THR A 130 ? 0.5138 0.5661 0.3646 0.0875 -0.0745 -0.0640 130 THR A C 1052 O O . THR A 130 ? 0.5101 0.5388 0.3693 0.0838 -0.0806 -0.0641 130 THR A O 1053 C CB . THR A 130 ? 0.6011 0.6768 0.4329 0.0909 -0.0758 -0.0575 130 THR A CB 1054 O OG1 . THR A 130 ? 0.6048 0.7032 0.4215 0.0888 -0.0708 -0.0465 130 THR A OG1 1055 C CG2 . THR A 130 ? 0.5952 0.6774 0.4366 0.1058 -0.0833 -0.0785 130 THR A CG2 1056 N N . GLY A 131 ? 0.4292 0.4917 0.2852 0.0941 -0.0734 -0.0737 131 GLY A N 1057 C CA . GLY A 131 ? 0.3881 0.4326 0.2603 0.0982 -0.0813 -0.0852 131 GLY A CA 1058 C C . GLY A 131 ? 0.3985 0.4274 0.2745 0.0886 -0.0771 -0.0774 131 GLY A C 1059 O O . GLY A 131 ? 0.4237 0.4389 0.3128 0.0907 -0.0832 -0.0848 131 GLY A O 1060 N N . VAL A 132 ? 0.2936 0.3249 0.1596 0.0783 -0.0676 -0.0620 132 VAL A N 1061 C CA . VAL A 132 ? 0.2981 0.3148 0.1679 0.0696 -0.0638 -0.0545 132 VAL A CA 1062 C C . VAL A 132 ? 0.2886 0.3154 0.1605 0.0718 -0.0585 -0.0580 132 VAL A C 1063 O O . VAL A 132 ? 0.2951 0.3453 0.1629 0.0776 -0.0543 -0.0619 132 VAL A O 1064 C CB . VAL A 132 ? 0.3178 0.3328 0.1793 0.0591 -0.0569 -0.0370 132 VAL A CB 1065 C CG1 . VAL A 132 ? 0.3189 0.3219 0.1809 0.0569 -0.0633 -0.0338 132 VAL A CG1 1066 C CG2 . VAL A 132 ? 0.3802 0.4193 0.2305 0.0571 -0.0474 -0.0276 132 VAL A CG2 1067 N N . SER A 133 ? 0.2651 0.2754 0.1443 0.0672 -0.0591 -0.0568 133 SER A N 1068 C CA . SER A 133 ? 0.2731 0.2903 0.1553 0.0685 -0.0544 -0.0595 133 SER A CA 1069 C C . SER A 133 ? 0.2240 0.2257 0.1078 0.0594 -0.0508 -0.0504 133 SER A C 1070 O O . SER A 133 ? 0.2389 0.2242 0.1239 0.0530 -0.0536 -0.0438 133 SER A O 1071 C CB . SER A 133 ? 0.2873 0.3012 0.1820 0.0786 -0.0645 -0.0750 133 SER A CB 1072 O OG . SER A 133 ? 0.3086 0.2961 0.2153 0.0763 -0.0756 -0.0772 133 SER A OG 1073 N N . GLU A 134 ? 0.2134 0.2219 0.0986 0.0591 -0.0446 -0.0503 134 GLU A N 1074 C CA . GLU A 134 ? 0.1987 0.1956 0.0873 0.0506 -0.0394 -0.0412 134 GLU A CA 1075 C C . GLU A 134 ? 0.2365 0.2365 0.1295 0.0537 -0.0379 -0.0474 134 GLU A C 1076 O O . GLU A 134 ? 0.2543 0.2701 0.1486 0.0611 -0.0377 -0.0559 134 GLU A O 1077 C CB . GLU A 134 ? 0.2539 0.2602 0.1375 0.0425 -0.0281 -0.0259 134 GLU A CB 1078 C CG . GLU A 134 ? 0.2742 0.3064 0.1491 0.0447 -0.0197 -0.0242 134 GLU A CG 1079 C CD . GLU A 134 ? 0.3236 0.3640 0.1945 0.0359 -0.0117 -0.0072 134 GLU A CD 1080 O OE1 . GLU A 134 ? 0.3740 0.4176 0.2394 0.0345 -0.0138 -0.0015 134 GLU A OE1 1081 O OE2 . GLU A 134 ? 0.3655 0.4074 0.2426 0.0295 -0.0046 0.0008 134 GLU A OE2 1082 N N . THR A 135 ? 0.1844 0.1713 0.0878 0.0460 -0.0348 -0.0402 135 THR A N 1083 C CA . THR A 135 ? 0.1811 0.1703 0.0889 0.0480 -0.0327 -0.0441 135 THR A CA 1084 C C . THR A 135 ? 0.1893 0.1917 0.0946 0.0423 -0.0192 -0.0343 135 THR A C 1085 O O . THR A 135 ? 0.2181 0.2224 0.1218 0.0354 -0.0133 -0.0231 135 THR A O 1086 C CB . THR A 135 ? 0.2015 0.1701 0.1225 0.0429 -0.0384 -0.0413 135 THR A CB 1087 O OG1 . THR A 135 ? 0.1848 0.1494 0.1103 0.0323 -0.0306 -0.0279 135 THR A OG1 1088 C CG2 . THR A 135 ? 0.2238 0.1763 0.1511 0.0450 -0.0530 -0.0469 135 THR A CG2 1089 N N . VAL A 136 ? 0.1956 0.2064 0.1027 0.0453 -0.0157 -0.0388 136 VAL A N 1090 C CA . VAL A 136 ? 0.1776 0.1979 0.0869 0.0390 -0.0044 -0.0296 136 VAL A CA 1091 C C . VAL A 136 ? 0.2103 0.2132 0.1305 0.0311 -0.0036 -0.0217 136 VAL A C 1092 O O . VAL A 136 ? 0.2216 0.2086 0.1465 0.0294 -0.0106 -0.0215 136 VAL A O 1093 C CB . VAL A 136 ? 0.2083 0.2448 0.1178 0.0449 -0.0013 -0.0379 136 VAL A CB 1094 C CG1 . VAL A 136 ? 0.2083 0.2657 0.1160 0.0497 -0.0015 -0.0428 136 VAL A CG1 1095 C CG2 . VAL A 136 ? 0.2296 0.2514 0.1463 0.0501 -0.0098 -0.0477 136 VAL A CG2 1096 N N . PHE A 137 ? 0.2057 0.2144 0.1311 0.0262 0.0045 -0.0153 137 PHE A N 1097 C CA . PHE A 137 ? 0.1698 0.1676 0.1055 0.0203 0.0053 -0.0099 137 PHE A CA 1098 C C . PHE A 137 ? 0.2538 0.2449 0.1938 0.0234 0.0012 -0.0158 137 PHE A C 1099 O O . PHE A 137 ? 0.2937 0.2920 0.2329 0.0282 0.0025 -0.0219 137 PHE A O 1100 C CB . PHE A 137 ? 0.1646 0.1706 0.1064 0.0151 0.0131 -0.0028 137 PHE A CB 1101 C CG . PHE A 137 ? 0.1462 0.1558 0.0865 0.0106 0.0147 0.0055 137 PHE A CG 1102 C CD1 . PHE A 137 ? 0.2128 0.2373 0.1459 0.0108 0.0182 0.0087 137 PHE A CD1 1103 C CD2 . PHE A 137 ? 0.1931 0.1931 0.1394 0.0063 0.0119 0.0104 137 PHE A CD2 1104 C CE1 . PHE A 137 ? 0.2139 0.2410 0.1457 0.0057 0.0182 0.0190 137 PHE A CE1 1105 C CE2 . PHE A 137 ? 0.2021 0.2031 0.1481 0.0025 0.0111 0.0181 137 PHE A CE2 1106 C CZ . PHE A 137 ? 0.2006 0.2137 0.1392 0.0017 0.0139 0.0236 137 PHE A CZ 1107 N N . LEU A 138 ? 0.1961 0.1747 0.1412 0.0204 -0.0045 -0.0132 138 LEU A N 1108 C CA . LEU A 138 ? 0.1879 0.1585 0.1372 0.0222 -0.0110 -0.0159 138 LEU A CA 1109 C C . LEU A 138 ? 0.1480 0.1207 0.1044 0.0172 -0.0070 -0.0097 138 LEU A C 1110 O O . LEU A 138 ? 0.1633 0.1398 0.1234 0.0118 -0.0030 -0.0037 138 LEU A O 1111 C CB . LEU A 138 ? 0.1697 0.1266 0.1207 0.0214 -0.0224 -0.0158 138 LEU A CB 1112 C CG . LEU A 138 ? 0.2326 0.1886 0.1773 0.0274 -0.0276 -0.0235 138 LEU A CG 1113 C CD1 . LEU A 138 ? 0.2638 0.2056 0.2133 0.0251 -0.0393 -0.0223 138 LEU A CD1 1114 C CD2 . LEU A 138 ? 0.2549 0.2164 0.1956 0.0376 -0.0311 -0.0361 138 LEU A CD2 1115 N N . PRO A 139 ? 0.1547 0.1268 0.1134 0.0200 -0.0088 -0.0124 139 PRO A N 1116 C CA . PRO A 139 ? 0.1474 0.1253 0.1118 0.0167 -0.0045 -0.0077 139 PRO A CA 1117 C C . PRO A 139 ? 0.1706 0.1454 0.1392 0.0105 -0.0095 0.0009 139 PRO A C 1118 O O . PRO A 139 ? 0.2024 0.1661 0.1715 0.0091 -0.0190 0.0034 139 PRO A O 1119 C CB . PRO A 139 ? 0.1741 0.1519 0.1387 0.0225 -0.0067 -0.0139 139 PRO A CB 1120 C CG . PRO A 139 ? 0.2182 0.1846 0.1801 0.0274 -0.0173 -0.0198 139 PRO A CG 1121 C CD . PRO A 139 ? 0.2092 0.1774 0.1659 0.0277 -0.0154 -0.0216 139 PRO A CD 1122 N N . ARG A 140 ? 0.1454 0.1321 0.1184 0.0069 -0.0038 0.0051 140 ARG A N 1123 C CA . ARG A 140 ? 0.1649 0.1574 0.1418 0.0010 -0.0069 0.0137 140 ARG A CA 1124 C C . ARG A 140 ? 0.1668 0.1682 0.1456 0.0025 -0.0054 0.0146 140 ARG A C 1125 O O . ARG A 140 ? 0.1499 0.1555 0.1291 0.0076 -0.0001 0.0076 140 ARG A O 1126 C CB . ARG A 140 ? 0.1331 0.1387 0.1140 -0.0027 -0.0022 0.0157 140 ARG A CB 1127 C CG . ARG A 140 ? 0.1557 0.1535 0.1353 -0.0048 -0.0046 0.0159 140 ARG A CG 1128 C CD . ARG A 140 ? 0.1414 0.1529 0.1264 -0.0069 -0.0008 0.0156 140 ARG A CD 1129 N NE . ARG A 140 ? 0.1179 0.1493 0.1085 -0.0098 0.0006 0.0192 140 ARG A NE 1130 C CZ . ARG A 140 ? 0.1544 0.1948 0.1475 -0.0162 -0.0029 0.0273 140 ARG A CZ 1131 N NH1 . ARG A 140 ? 0.1902 0.2179 0.1824 -0.0205 -0.0088 0.0321 140 ARG A NH1 1132 N NH2 . ARG A 140 ? 0.1690 0.2336 0.1662 -0.0184 -0.0007 0.0306 140 ARG A NH2 1133 N N . GLU A 141 ? 0.1313 0.1374 0.1118 -0.0025 -0.0103 0.0241 141 GLU A N 1134 C CA . GLU A 141 ? 0.1318 0.1485 0.1130 -0.0015 -0.0099 0.0266 141 GLU A CA 1135 C C . GLU A 141 ? 0.1285 0.1682 0.1129 0.0008 -0.0009 0.0219 141 GLU A C 1136 O O . GLU A 141 ? 0.1542 0.2031 0.1392 0.0045 0.0007 0.0195 141 GLU A O 1137 C CB . GLU A 141 ? 0.2079 0.2263 0.1902 -0.0090 -0.0183 0.0412 141 GLU A CB 1138 C CG . GLU A 141 ? 0.3162 0.3090 0.2989 -0.0100 -0.0309 0.0446 141 GLU A CG 1139 C CD . GLU A 141 ? 0.4590 0.4515 0.4458 -0.0200 -0.0415 0.0622 141 GLU A CD 1140 O OE1 . GLU A 141 ? 0.5225 0.5273 0.5090 -0.0225 -0.0425 0.0710 141 GLU A OE1 1141 O OE2 . GLU A 141 ? 0.5474 0.5282 0.5385 -0.0257 -0.0495 0.0680 141 GLU A OE2 1142 N N . ASP A 142 ? 0.1316 0.1799 0.1192 -0.0004 0.0034 0.0191 142 ASP A N 1143 C CA . ASP A 142 ? 0.1155 0.1833 0.1093 0.0036 0.0092 0.0112 142 ASP A CA 1144 C C . ASP A 142 ? 0.1087 0.1669 0.1057 0.0087 0.0128 0.0012 142 ASP A C 1145 O O . ASP A 142 ? 0.1265 0.1962 0.1317 0.0120 0.0154 -0.0061 142 ASP A O 1146 C CB . ASP A 142 ? 0.1001 0.1870 0.0986 0.0004 0.0101 0.0124 142 ASP A CB 1147 C CG . ASP A 142 ? 0.1458 0.2195 0.1442 -0.0025 0.0088 0.0129 142 ASP A CG 1148 O OD1 . ASP A 142 ? 0.1169 0.1692 0.1117 -0.0013 0.0082 0.0110 142 ASP A OD1 1149 O OD2 . ASP A 142 ? 0.1406 0.2290 0.1429 -0.0056 0.0084 0.0145 142 ASP A OD2 1150 N N . HIS A 143 ? 0.0918 0.1309 0.0835 0.0093 0.0117 0.0011 143 HIS A N 1151 C CA . HIS A 143 ? 0.0949 0.1277 0.0885 0.0127 0.0152 -0.0054 143 HIS A CA 1152 C C . HIS A 143 ? 0.1113 0.1423 0.1085 0.0110 0.0167 -0.0063 143 HIS A C 1153 O O . HIS A 143 ? 0.1045 0.1339 0.1058 0.0121 0.0192 -0.0092 143 HIS A O 1154 C CB . HIS A 143 ? 0.1254 0.1677 0.1253 0.0171 0.0179 -0.0114 143 HIS A CB 1155 C CG . HIS A 143 ? 0.1252 0.1704 0.1212 0.0187 0.0153 -0.0094 143 HIS A CG 1156 N ND1 . HIS A 143 ? 0.1077 0.1395 0.0964 0.0189 0.0108 -0.0065 143 HIS A ND1 1157 C CD2 . HIS A 143 ? 0.1175 0.1780 0.1160 0.0202 0.0148 -0.0093 143 HIS A CD2 1158 C CE1 . HIS A 143 ? 0.1059 0.1420 0.0933 0.0197 0.0073 -0.0034 143 HIS A CE1 1159 N NE2 . HIS A 143 ? 0.1266 0.1814 0.1188 0.0202 0.0104 -0.0043 143 HIS A NE2 1160 N N . LEU A 144 ? 0.0748 0.1066 0.0713 0.0076 0.0143 -0.0027 144 LEU A N 1161 C CA . LEU A 144 ? 0.1192 0.1446 0.1161 0.0058 0.0137 -0.0021 144 LEU A CA 1162 C C . LEU A 144 ? 0.1067 0.1178 0.0932 0.0049 0.0118 0.0009 144 LEU A C 1163 O O . LEU A 144 ? 0.1457 0.1517 0.1269 0.0068 0.0107 0.0005 144 LEU A O 1164 C CB . LEU A 144 ? 0.1141 0.1490 0.1159 0.0037 0.0113 -0.0014 144 LEU A CB 1165 C CG . LEU A 144 ? 0.0915 0.1458 0.1043 0.0066 0.0118 -0.0074 144 LEU A CG 1166 C CD1 . LEU A 144 ? 0.1522 0.2210 0.1691 0.0050 0.0095 -0.0078 144 LEU A CD1 1167 C CD2 . LEU A 144 ? 0.1209 0.1733 0.1442 0.0099 0.0115 -0.0138 144 LEU A CD2 1168 N N . PHE A 145 ? 0.1539 0.1290 0.0456 -0.0012 -0.0087 0.0149 145 PHE A N 1169 C CA . PHE A 145 ? 0.1582 0.1349 0.0597 0.0045 -0.0106 0.0140 145 PHE A CA 1170 C C . PHE A 145 ? 0.1868 0.1575 0.0821 0.0010 -0.0062 0.0199 145 PHE A C 1171 O O . PHE A 145 ? 0.1729 0.1505 0.0727 -0.0042 0.0017 0.0215 145 PHE A O 1172 C CB . PHE A 145 ? 0.1528 0.1482 0.0711 0.0071 -0.0033 0.0080 145 PHE A CB 1173 C CG . PHE A 145 ? 0.1323 0.1399 0.0620 0.0091 -0.0073 0.0011 145 PHE A CG 1174 C CD1 . PHE A 145 ? 0.1320 0.1414 0.0623 0.0035 -0.0046 0.0018 145 PHE A CD1 1175 C CD2 . PHE A 145 ? 0.1823 0.2010 0.1255 0.0174 -0.0156 -0.0087 145 PHE A CD2 1176 C CE1 . PHE A 145 ? 0.1329 0.1550 0.0758 0.0039 -0.0093 -0.0045 145 PHE A CE1 1177 C CE2 . PHE A 145 ? 0.1844 0.2197 0.1429 0.0193 -0.0196 -0.0172 145 PHE A CE2 1178 C CZ . PHE A 145 ? 0.1537 0.1907 0.1115 0.0114 -0.0161 -0.0137 145 PHE A CZ 1179 N N . ARG A 146 ? 0.1921 0.1591 0.0922 0.0060 -0.0122 0.0186 146 ARG A N 1180 C CA . ARG A 146 ? 0.1994 0.1628 0.0978 0.0033 -0.0089 0.0228 146 ARG A CA 1181 C C . ARG A 146 ? 0.1878 0.1592 0.0969 0.0113 -0.0097 0.0152 146 ARG A C 1182 O O . ARG A 146 ? 0.1784 0.1610 0.0968 0.0184 -0.0127 0.0054 146 ARG A O 1183 C CB . ARG A 146 ? 0.2170 0.1672 0.1114 -0.0030 -0.0177 0.0295 146 ARG A CB 1184 C CG . ARG A 146 ? 0.2654 0.1957 0.1557 0.0021 -0.0381 0.0287 146 ARG A CG 1185 C CD . ARG A 146 ? 0.3796 0.2956 0.2655 -0.0094 -0.0467 0.0376 146 ARG A CD 1186 N NE . ARG A 146 ? 0.4981 0.3945 0.3837 -0.0057 -0.0676 0.0362 146 ARG A NE 1187 C CZ . ARG A 146 ? 0.6904 0.5689 0.5849 0.0029 -0.0866 0.0300 146 ARG A CZ 1188 N NH1 . ARG A 146 ? 0.7834 0.6444 0.6825 0.0073 -0.1066 0.0258 146 ARG A NH1 1189 N NH2 . ARG A 146 ? 0.7095 0.5874 0.6101 0.0080 -0.0869 0.0255 146 ARG A NH2 1190 N N . LYS A 147 ? 0.1590 0.1290 0.0675 0.0095 -0.0068 0.0178 147 LYS A N 1191 C CA . LYS A 147 ? 0.1421 0.1232 0.0561 0.0147 -0.0056 0.0105 147 LYS A CA 1192 C C . LYS A 147 ? 0.1631 0.1347 0.0745 0.0125 -0.0083 0.0145 147 LYS A C 1193 O O . LYS A 147 ? 0.1764 0.1425 0.0858 0.0053 -0.0049 0.0230 147 LYS A O 1194 C CB . LYS A 147 ? 0.1569 0.1548 0.0722 0.0106 0.0057 0.0117 147 LYS A CB 1195 C CG . LYS A 147 ? 0.2083 0.2260 0.1243 0.0119 0.0086 0.0042 147 LYS A CG 1196 C CD . LYS A 147 ? 0.1859 0.2099 0.1039 0.0012 0.0157 0.0104 147 LYS A CD 1197 C CE . LYS A 147 ? 0.2150 0.2636 0.1352 -0.0018 0.0198 0.0035 147 LYS A CE 1198 N NZ . LYS A 147 ? 0.2168 0.2706 0.1310 -0.0004 0.0185 -0.0013 147 LYS A NZ 1199 N N . PHE A 148 ? 0.1522 0.1257 0.0658 0.0188 -0.0147 0.0057 148 PHE A N 1200 C CA . PHE A 148 ? 0.1618 0.1263 0.0740 0.0170 -0.0194 0.0081 148 PHE A CA 1201 C C . PHE A 148 ? 0.2146 0.1950 0.1241 0.0188 -0.0148 0.0020 148 PHE A C 1202 O O . PHE A 148 ? 0.1816 0.1799 0.0907 0.0240 -0.0126 -0.0098 148 PHE A O 1203 C CB . PHE A 148 ? 0.1668 0.1126 0.0817 0.0220 -0.0371 0.0024 148 PHE A CB 1204 C CG . PHE A 148 ? 0.2192 0.1443 0.1312 0.0159 -0.0466 0.0124 148 PHE A CG 1205 C CD1 . PHE A 148 ? 0.2215 0.1442 0.1341 0.0203 -0.0516 0.0094 148 PHE A CD1 1206 C CD2 . PHE A 148 ? 0.2420 0.1513 0.1495 0.0036 -0.0520 0.0253 148 PHE A CD2 1207 C CE1 . PHE A 148 ? 0.2417 0.1427 0.1461 0.0122 -0.0634 0.0209 148 PHE A CE1 1208 C CE2 . PHE A 148 ? 0.2543 0.1497 0.1571 -0.0072 -0.0592 0.0354 148 PHE A CE2 1209 C CZ . PHE A 148 ? 0.2525 0.1438 0.1536 -0.0033 -0.0642 0.0331 148 PHE A CZ 1210 N N . HIS A 149 ? 0.1710 0.1477 0.0783 0.0136 -0.0140 0.0094 149 HIS A N 1211 C CA . HIS A 149 ? 0.1813 0.1680 0.0813 0.0135 -0.0143 0.0056 149 HIS A CA 1212 C C . HIS A 149 ? 0.1974 0.1712 0.0993 0.0148 -0.0252 0.0039 149 HIS A C 1213 O O . HIS A 149 ? 0.2025 0.1628 0.1125 0.0109 -0.0290 0.0114 149 HIS A O 1214 C CB . HIS A 149 ? 0.1947 0.1865 0.0900 0.0055 -0.0081 0.0169 149 HIS A CB 1215 C CG . HIS A 149 ? 0.1954 0.1981 0.0896 0.0009 0.0000 0.0170 149 HIS A CG 1216 N ND1 . HIS A 149 ? 0.2186 0.2300 0.1069 -0.0038 0.0028 0.0175 149 HIS A ND1 1217 C CD2 . HIS A 149 ? 0.2095 0.2139 0.1110 0.0009 0.0049 0.0166 149 HIS A CD2 1218 C CE1 . HIS A 149 ? 0.2501 0.2695 0.1436 -0.0074 0.0089 0.0182 149 HIS A CE1 1219 N NE2 . HIS A 149 ? 0.2120 0.2263 0.1133 -0.0037 0.0101 0.0168 149 HIS A NE2 1220 N N . TYR A 150 ? 0.1737 0.1550 0.0680 0.0187 -0.0302 -0.0070 150 TYR A N 1221 C CA . TYR A 150 ? 0.2035 0.1713 0.1004 0.0210 -0.0436 -0.0116 150 TYR A CA 1222 C C . TYR A 150 ? 0.2170 0.1920 0.1023 0.0179 -0.0459 -0.0118 150 TYR A C 1223 O O . TYR A 150 ? 0.2252 0.2196 0.0949 0.0163 -0.0398 -0.0160 150 TYR A O 1224 C CB . TYR A 150 ? 0.2268 0.1908 0.1276 0.0322 -0.0550 -0.0308 150 TYR A CB 1225 C CG . TYR A 150 ? 0.2121 0.1639 0.1231 0.0358 -0.0591 -0.0306 150 TYR A CG 1226 C CD1 . TYR A 150 ? 0.1958 0.1644 0.1091 0.0431 -0.0535 -0.0417 150 TYR A CD1 1227 C CD2 . TYR A 150 ? 0.2367 0.1616 0.1544 0.0297 -0.0700 -0.0189 150 TYR A CD2 1228 C CE1 . TYR A 150 ? 0.2062 0.1611 0.1285 0.0468 -0.0610 -0.0412 150 TYR A CE1 1229 C CE2 . TYR A 150 ? 0.2556 0.1661 0.1774 0.0303 -0.0771 -0.0159 150 TYR A CE2 1230 C CZ . TYR A 150 ? 0.2202 0.1437 0.1446 0.0402 -0.0738 -0.0274 150 TYR A CZ 1231 O OH . TYR A 150 ? 0.2195 0.1263 0.1479 0.0413 -0.0844 -0.0241 150 TYR A OH 1232 N N . LEU A 151 ? 0.2189 0.1799 0.1110 0.0151 -0.0559 -0.0068 151 LEU A N 1233 C CA . LEU A 151 ? 0.2321 0.1960 0.1137 0.0128 -0.0629 -0.0072 151 LEU A CA 1234 C C . LEU A 151 ? 0.2367 0.1861 0.1263 0.0151 -0.0789 -0.0143 151 LEU A C 1235 O O . LEU A 151 ? 0.2640 0.2017 0.1708 0.0099 -0.0840 -0.0051 151 LEU A O 1236 C CB . LEU A 151 ? 0.2479 0.2108 0.1330 0.0052 -0.0609 0.0094 151 LEU A CB 1237 C CG . LEU A 151 ? 0.3077 0.2685 0.1843 0.0018 -0.0728 0.0124 151 LEU A CG 1238 C CD1 . LEU A 151 ? 0.3144 0.2927 0.1691 0.0004 -0.0694 0.0044 151 LEU A CD1 1239 C CD2 . LEU A 151 ? 0.2979 0.2561 0.1858 -0.0028 -0.0734 0.0266 151 LEU A CD2 1240 N N . PRO A 152 ? 0.2814 0.2344 0.1602 0.0223 -0.0869 -0.0326 152 PRO A N 1241 C CA . PRO A 152 ? 0.2918 0.2303 0.1800 0.0241 -0.1028 -0.0400 152 PRO A CA 1242 C C . PRO A 152 ? 0.2894 0.2280 0.1758 0.0165 -0.1072 -0.0296 152 PRO A C 1243 O O . PRO A 152 ? 0.3100 0.2637 0.1813 0.0126 -0.0996 -0.0241 152 PRO A O 1244 C CB . PRO A 152 ? 0.3090 0.2619 0.1904 0.0333 -0.1020 -0.0622 152 PRO A CB 1245 C CG . PRO A 152 ? 0.3441 0.3146 0.2230 0.0376 -0.0883 -0.0680 152 PRO A CG 1246 C CD . PRO A 152 ? 0.2947 0.2709 0.1643 0.0277 -0.0764 -0.0479 152 PRO A CD 1247 N N . PHE A 153 ? 0.2789 0.2016 0.1825 0.0128 -0.1204 -0.0257 153 PHE A N 1248 C CA . PHE A 153 ? 0.2710 0.1953 0.1795 0.0069 -0.1260 -0.0170 153 PHE A CA 1249 C C . PHE A 153 ? 0.2974 0.2081 0.2236 0.0042 -0.1417 -0.0200 153 PHE A C 1250 O O . PHE A 153 ? 0.3051 0.2015 0.2436 0.0030 -0.1487 -0.0228 153 PHE A O 1251 C CB . PHE A 153 ? 0.2702 0.1997 0.1912 0.0010 -0.1202 -0.0007 153 PHE A CB 1252 C CG . PHE A 153 ? 0.2490 0.1758 0.1990 -0.0057 -0.1193 0.0060 153 PHE A CG 1253 C CD1 . PHE A 153 ? 0.2719 0.2046 0.2471 -0.0120 -0.1257 0.0112 153 PHE A CD1 1254 C CD2 . PHE A 153 ? 0.2303 0.1521 0.1827 -0.0073 -0.1115 0.0068 153 PHE A CD2 1255 C CE1 . PHE A 153 ? 0.2590 0.1984 0.2602 -0.0221 -0.1210 0.0165 153 PHE A CE1 1256 C CE2 . PHE A 153 ? 0.2445 0.1669 0.2182 -0.0184 -0.1094 0.0153 153 PHE A CE2 1257 C CZ . PHE A 153 ? 0.2514 0.1856 0.2489 -0.0270 -0.1124 0.0199 153 PHE A CZ 1258 N N . LEU A 154 ? 0.2936 0.2072 0.2207 0.0021 -0.1484 -0.0181 154 LEU A N 1259 C CA . LEU A 154 ? 0.3498 0.2535 0.2960 -0.0019 -0.1630 -0.0191 154 LEU A CA 1260 C C . LEU A 154 ? 0.3236 0.2353 0.2973 -0.0103 -0.1641 -0.0064 154 LEU A C 1261 O O . LEU A 154 ? 0.3510 0.2712 0.3252 -0.0092 -0.1641 -0.0019 154 LEU A O 1262 C CB . LEU A 154 ? 0.4489 0.3537 0.3795 0.0018 -0.1710 -0.0272 154 LEU A CB 1263 C CG . LEU A 154 ? 0.5583 0.4530 0.4825 0.0077 -0.1808 -0.0435 154 LEU A CG 1264 C CD1 . LEU A 154 ? 0.5604 0.4581 0.4738 0.0079 -0.1906 -0.0484 154 LEU A CD1 1265 C CD2 . LEU A 154 ? 0.6028 0.4781 0.5527 0.0042 -0.1912 -0.0422 154 LEU A CD2 1266 N N . PRO A 155 ? 0.3339 0.2453 0.3323 -0.0196 -0.1654 -0.0011 155 PRO A N 1267 C CA . PRO A 155 ? 0.3492 0.2803 0.3807 -0.0291 -0.1638 0.0071 155 PRO A CA 1268 C C . PRO A 155 ? 0.3179 0.2552 0.3658 -0.0282 -0.1739 0.0050 155 PRO A C 1269 O O . PRO A 155 ? 0.3339 0.2588 0.3793 -0.0286 -0.1851 0.0003 155 PRO A O 1270 C CB . PRO A 155 ? 0.3636 0.2929 0.4125 -0.0441 -0.1642 0.0123 155 PRO A CB 1271 C CG . PRO A 155 ? 0.3864 0.2936 0.4094 -0.0396 -0.1634 0.0100 155 PRO A CG 1272 C CD . PRO A 155 ? 0.3968 0.2924 0.3937 -0.0232 -0.1677 -0.0025 155 PRO A CD 1273 N N . SER A 156 ? 0.2926 0.2479 0.3586 -0.0256 -0.1713 0.0072 156 SER A N 1274 C CA . SER A 156 ? 0.3439 0.3049 0.4282 -0.0231 -0.1822 0.0044 156 SER A CA 1275 C C . SER A 156 ? 0.3120 0.3012 0.4356 -0.0229 -0.1775 0.0035 156 SER A C 1276 O O . SER A 156 ? 0.3231 0.3239 0.4517 -0.0215 -0.1662 0.0051 156 SER A O 1277 C CB . SER A 156 ? 0.3998 0.3433 0.4516 -0.0138 -0.1891 0.0041 156 SER A CB 1278 O OG . SER A 156 ? 0.4523 0.3974 0.4947 -0.0088 -0.1822 0.0091 156 SER A OG 1279 N N . THR A 157 ? 0.3043 0.3068 0.4577 -0.0230 -0.1862 -0.0015 157 THR A N 1280 C CA . THR A 157 ? 0.3346 0.3686 0.5299 -0.0199 -0.1819 -0.0082 157 THR A CA 1281 C C . THR A 157 ? 0.3466 0.3667 0.5333 -0.0052 -0.1884 -0.0085 157 THR A C 1282 O O . THR A 157 ? 0.4118 0.4519 0.6287 0.0014 -0.1849 -0.0160 157 THR A O 1283 C CB . THR A 157 ? 0.3494 0.4055 0.5818 -0.0247 -0.1891 -0.0157 157 THR A CB 1284 O OG1 . THR A 157 ? 0.3823 0.4111 0.5975 -0.0186 -0.2081 -0.0147 157 THR A OG1 1285 C CG2 . THR A 157 ? 0.3870 0.4590 0.6300 -0.0441 -0.1812 -0.0135 157 THR A CG2 1286 N N . GLU A 158 ? 0.3367 0.3231 0.4807 -0.0017 -0.1972 -0.0010 158 GLU A N 1287 C CA . GLU A 158 ? 0.4392 0.4071 0.5700 0.0066 -0.2062 0.0024 158 GLU A CA 1288 C C . GLU A 158 ? 0.4207 0.3801 0.5286 0.0084 -0.1957 0.0089 158 GLU A C 1289 O O . GLU A 158 ? 0.4438 0.3913 0.5507 0.0133 -0.2023 0.0112 158 GLU A O 1290 C CB . GLU A 158 ? 0.5171 0.4587 0.6142 0.0051 -0.2210 0.0076 158 GLU A CB 1291 C CG . GLU A 158 ? 0.5879 0.5342 0.7081 0.0046 -0.2349 0.0012 158 GLU A CG 1292 C CD . GLU A 158 ? 0.6569 0.6228 0.8283 0.0110 -0.2414 -0.0081 158 GLU A CD 1293 O OE1 . GLU A 158 ? 0.6783 0.6319 0.8535 0.0182 -0.2515 -0.0079 158 GLU A OE1 1294 O OE2 . GLU A 158 ? 0.6768 0.6717 0.8853 0.0078 -0.2364 -0.0166 158 GLU A OE2 1295 N N . ASP A 159 ? 0.3155 0.2789 0.4059 0.0037 -0.1812 0.0119 159 ASP A N 1296 C CA . ASP A 159 ? 0.3258 0.2817 0.3922 0.0048 -0.1705 0.0184 159 ASP A CA 1297 C C . ASP A 159 ? 0.3390 0.3173 0.4343 0.0068 -0.1583 0.0142 159 ASP A C 1298 O O . ASP A 159 ? 0.3826 0.3837 0.5025 0.0015 -0.1518 0.0089 159 ASP A O 1299 C CB . ASP A 159 ? 0.3917 0.3364 0.4146 -0.0002 -0.1624 0.0230 159 ASP A CB 1300 C CG . ASP A 159 ? 0.4556 0.3847 0.4460 -0.0024 -0.1712 0.0256 159 ASP A CG 1301 O OD1 . ASP A 159 ? 0.3815 0.3010 0.3704 -0.0020 -0.1821 0.0302 159 ASP A OD1 1302 O OD2 . ASP A 159 ? 0.4897 0.4170 0.4569 -0.0046 -0.1683 0.0220 159 ASP A OD2 1303 N N . VAL A 160 ? 0.2597 0.2325 0.3519 0.0119 -0.1552 0.0165 160 VAL A N 1304 C CA . VAL A 160 ? 0.2035 0.1962 0.3153 0.0141 -0.1420 0.0124 160 VAL A CA 1305 C C . VAL A 160 ? 0.2140 0.1882 0.2855 0.0124 -0.1325 0.0230 160 VAL A C 1306 O O . VAL A 160 ? 0.2478 0.1994 0.2865 0.0100 -0.1371 0.0313 160 VAL A O 1307 C CB . VAL A 160 ? 0.2017 0.2095 0.3547 0.0239 -0.1444 -0.0005 160 VAL A CB 1308 C CG1 . VAL A 160 ? 0.2211 0.2506 0.4134 0.0257 -0.1509 -0.0135 160 VAL A CG1 1309 C CG2 . VAL A 160 ? 0.2895 0.2655 0.4236 0.0286 -0.1560 0.0053 160 VAL A CG2 1310 N N . TYR A 161 ? 0.1847 0.1708 0.2545 0.0095 -0.1099 0.0204 161 TYR A N 1311 C CA . TYR A 161 ? 0.2032 0.1760 0.2386 0.0075 -0.0987 0.0282 161 TYR A CA 1312 C C . TYR A 161 ? 0.2029 0.1852 0.2522 0.0109 -0.0861 0.0236 161 TYR A C 1313 O O . TYR A 161 ? 0.1807 0.1863 0.2617 0.0126 -0.0785 0.0124 161 TYR A O 1314 C CB . TYR A 161 ? 0.2424 0.2142 0.2543 0.0011 -0.0868 0.0296 161 TYR A CB 1315 C CG . TYR A 161 ? 0.2437 0.2042 0.2360 -0.0008 -0.0995 0.0311 161 TYR A CG 1316 C CD1 . TYR A 161 ? 0.2651 0.2303 0.2756 -0.0032 -0.1087 0.0266 161 TYR A CD1 1317 C CD2 . TYR A 161 ? 0.2688 0.2179 0.2248 -0.0016 -0.1022 0.0355 161 TYR A CD2 1318 C CE1 . TYR A 161 ? 0.2935 0.2475 0.2859 -0.0042 -0.1222 0.0255 161 TYR A CE1 1319 C CE2 . TYR A 161 ? 0.2923 0.2368 0.2309 -0.0031 -0.1095 0.0318 161 TYR A CE2 1320 C CZ . TYR A 161 ? 0.3063 0.2504 0.2619 -0.0033 -0.1210 0.0268 161 TYR A CZ 1321 O OH . TYR A 161 ? 0.3465 0.2854 0.2856 -0.0038 -0.1281 0.0213 161 TYR A OH 1322 N N . ASP A 162 ? 0.1752 0.1425 0.2002 0.0106 -0.0839 0.0312 162 ASP A N 1323 C CA . ASP A 162 ? 0.1644 0.1374 0.1959 0.0129 -0.0719 0.0272 162 ASP A CA 1324 C C . ASP A 162 ? 0.1965 0.1598 0.1932 0.0073 -0.0615 0.0361 162 ASP A C 1325 O O . ASP A 162 ? 0.2049 0.1555 0.1750 0.0028 -0.0683 0.0456 162 ASP A O 1326 C CB . ASP A 162 ? 0.1858 0.1486 0.2364 0.0205 -0.0879 0.0248 162 ASP A CB 1327 C CG . ASP A 162 ? 0.2310 0.2076 0.3241 0.0296 -0.1005 0.0109 162 ASP A CG 1328 O OD1 . ASP A 162 ? 0.2229 0.2281 0.3462 0.0339 -0.0883 -0.0059 162 ASP A OD1 1329 O OD2 . ASP A 162 ? 0.2694 0.2310 0.3662 0.0319 -0.1232 0.0158 162 ASP A OD2 1330 N N . CYS A 163 ? 0.1493 0.1224 0.1465 0.0067 -0.0453 0.0318 163 CYS A N 1331 C CA . CYS A 163 ? 0.1953 0.1622 0.1687 0.0035 -0.0371 0.0373 163 CYS A CA 1332 C C . CYS A 163 ? 0.2443 0.2066 0.2281 0.0064 -0.0395 0.0360 163 CYS A C 1333 O O . CYS A 163 ? 0.2142 0.1880 0.2201 0.0113 -0.0345 0.0251 163 CYS A O 1334 C CB . CYS A 163 ? 0.2008 0.1770 0.1681 0.0013 -0.0225 0.0337 163 CYS A CB 1335 S SG . CYS A 163 ? 0.2461 0.2192 0.1913 -0.0005 -0.0139 0.0368 163 CYS A SG 1336 N N . ARG A 164 ? 0.2073 0.1543 0.1751 0.0020 -0.0482 0.0463 164 ARG A N 1337 C CA . ARG A 164 ? 0.1915 0.1275 0.1689 0.0033 -0.0555 0.0467 164 ARG A CA 1338 C C . ARG A 164 ? 0.2278 0.1662 0.1884 -0.0026 -0.0433 0.0500 164 ARG A C 1339 O O . ARG A 164 ? 0.2196 0.1611 0.1572 -0.0113 -0.0383 0.0579 164 ARG A O 1340 C CB . ARG A 164 ? 0.2033 0.1186 0.1770 -0.0015 -0.0766 0.0569 164 ARG A CB 1341 C CG . ARG A 164 ? 0.2387 0.1392 0.2249 -0.0012 -0.0876 0.0557 164 ARG A CG 1342 C CD . ARG A 164 ? 0.3032 0.1875 0.2848 -0.0105 -0.1056 0.0631 164 ARG A CD 1343 N NE . ARG A 164 ? 0.3294 0.2186 0.2803 -0.0271 -0.0979 0.0755 164 ARG A NE 1344 C CZ . ARG A 164 ? 0.3955 0.2775 0.3332 -0.0378 -0.1087 0.0840 164 ARG A CZ 1345 N NH1 . ARG A 164 ? 0.3058 0.1722 0.2571 -0.0339 -0.1287 0.0826 164 ARG A NH1 1346 N NH2 . ARG A 164 ? 0.3706 0.2629 0.2833 -0.0523 -0.1002 0.0924 164 ARG A NH2 1347 N N . VAL A 165 ? 0.1881 0.1308 0.1634 0.0026 -0.0376 0.0402 165 VAL A N 1348 C CA . VAL A 165 ? 0.1865 0.1328 0.1495 -0.0020 -0.0270 0.0414 165 VAL A CA 1349 C C . VAL A 165 ? 0.2153 0.1469 0.1876 -0.0025 -0.0378 0.0414 165 VAL A C 1350 O O . VAL A 165 ? 0.2228 0.1513 0.2186 0.0070 -0.0451 0.0289 165 VAL A O 1351 C CB . VAL A 165 ? 0.1869 0.1507 0.1528 0.0023 -0.0110 0.0304 165 VAL A CB 1352 C CG1 . VAL A 165 ? 0.2302 0.1960 0.1856 -0.0010 -0.0036 0.0308 165 VAL A CG1 1353 C CG2 . VAL A 165 ? 0.1638 0.1357 0.1207 0.0011 -0.0049 0.0321 165 VAL A CG2 1354 N N . GLU A 166 ? 0.2016 0.1260 0.1574 -0.0142 -0.0400 0.0538 166 GLU A N 1355 C CA . GLU A 166 ? 0.2475 0.1548 0.2107 -0.0178 -0.0522 0.0558 166 GLU A CA 1356 C C . GLU A 166 ? 0.2143 0.1343 0.1716 -0.0210 -0.0384 0.0521 166 GLU A C 1357 O O . GLU A 166 ? 0.2388 0.1750 0.1798 -0.0283 -0.0262 0.0574 166 GLU A O 1358 C CB . GLU A 166 ? 0.3200 0.2176 0.2747 -0.0318 -0.0651 0.0690 166 GLU A CB 1359 C CG . GLU A 166 ? 0.3698 0.2578 0.3299 -0.0296 -0.0793 0.0705 166 GLU A CG 1360 C CD . GLU A 166 ? 0.5879 0.4688 0.5365 -0.0460 -0.0919 0.0825 166 GLU A CD 1361 O OE1 . GLU A 166 ? 0.7314 0.6024 0.6816 -0.0467 -0.1057 0.0852 166 GLU A OE1 1362 O OE2 . GLU A 166 ? 0.6360 0.5216 0.5744 -0.0593 -0.0893 0.0896 166 GLU A OE2 1363 N N . HIS A 167 ? 0.1917 0.1060 0.1645 -0.0143 -0.0421 0.0403 167 HIS A N 1364 C CA . HIS A 167 ? 0.1962 0.1204 0.1649 -0.0164 -0.0323 0.0354 167 HIS A CA 1365 C C . HIS A 167 ? 0.2280 0.1335 0.2123 -0.0144 -0.0475 0.0283 167 HIS A C 1366 O O . HIS A 167 ? 0.2389 0.1323 0.2422 -0.0038 -0.0602 0.0170 167 HIS A O 1367 C CB . HIS A 167 ? 0.1805 0.1250 0.1477 -0.0069 -0.0157 0.0220 167 HIS A CB 1368 C CG . HIS A 167 ? 0.1743 0.1280 0.1342 -0.0092 -0.0079 0.0187 167 HIS A CG 1369 N ND1 . HIS A 167 ? 0.1628 0.1139 0.1300 -0.0053 -0.0108 0.0066 167 HIS A ND1 1370 C CD2 . HIS A 167 ? 0.1975 0.1636 0.1455 -0.0139 0.0005 0.0236 167 HIS A CD2 1371 C CE1 . HIS A 167 ? 0.1720 0.1315 0.1298 -0.0087 -0.0051 0.0069 167 HIS A CE1 1372 N NE2 . HIS A 167 ? 0.1688 0.1378 0.1171 -0.0132 0.0013 0.0166 167 HIS A NE2 1373 N N . TRP A 168 ? 0.2110 0.1153 0.1909 -0.0236 -0.0481 0.0323 168 TRP A N 1374 C CA . TRP A 168 ? 0.2572 0.1400 0.2518 -0.0233 -0.0658 0.0261 168 TRP A CA 1375 C C . TRP A 168 ? 0.2573 0.1451 0.2677 -0.0050 -0.0645 -0.0008 168 TRP A C 1376 O O . TRP A 168 ? 0.2760 0.1448 0.3043 0.0010 -0.0826 -0.0129 168 TRP A O 1377 C CB . TRP A 168 ? 0.2687 0.1539 0.2561 -0.0386 -0.0653 0.0355 168 TRP A CB 1378 C CG . TRP A 168 ? 0.2906 0.1766 0.2642 -0.0600 -0.0673 0.0598 168 TRP A CG 1379 C CD1 . TRP A 168 ? 0.3312 0.2046 0.3020 -0.0677 -0.0809 0.0726 168 TRP A CD1 1380 C CD2 . TRP A 168 ? 0.2829 0.1964 0.2446 -0.0743 -0.0527 0.0685 168 TRP A CD2 1381 N NE1 . TRP A 168 ? 0.3522 0.2489 0.3082 -0.0846 -0.0730 0.0853 168 TRP A NE1 1382 C CE2 . TRP A 168 ? 0.3201 0.2418 0.2723 -0.0887 -0.0556 0.0825 168 TRP A CE2 1383 C CE3 . TRP A 168 ? 0.2776 0.2177 0.2395 -0.0712 -0.0374 0.0589 168 TRP A CE3 1384 C CZ2 . TRP A 168 ? 0.3045 0.2596 0.2486 -0.1012 -0.0427 0.0864 168 TRP A CZ2 1385 C CZ3 . TRP A 168 ? 0.2543 0.2231 0.2099 -0.0862 -0.0272 0.0669 168 TRP A CZ3 1386 C CH2 . TRP A 168 ? 0.2585 0.2368 0.2061 -0.1001 -0.0287 0.0788 168 TRP A CH2 1387 N N . GLY A 169 ? 0.2277 0.1417 0.2306 0.0025 -0.0445 -0.0107 169 GLY A N 1388 C CA . GLY A 169 ? 0.2218 0.1502 0.2340 0.0157 -0.0392 -0.0358 169 GLY A CA 1389 C C . GLY A 169 ? 0.2429 0.1756 0.2757 0.0280 -0.0439 -0.0503 169 GLY A C 1390 O O . GLY A 169 ? 0.2178 0.1676 0.2640 0.0391 -0.0408 -0.0758 169 GLY A O 1391 N N . LEU A 170 ? 0.2205 0.1417 0.2566 0.0256 -0.0513 -0.0360 170 LEU A N 1392 C CA . LEU A 170 ? 0.2361 0.1607 0.2960 0.0376 -0.0592 -0.0489 170 LEU A CA 1393 C C . LEU A 170 ? 0.3142 0.2056 0.3984 0.0437 -0.0904 -0.0526 170 LEU A C 1394 O O . LEU A 170 ? 0.3775 0.2384 0.4517 0.0315 -0.1061 -0.0312 170 LEU A O 1395 C CB . LEU A 170 ? 0.2015 0.1308 0.2508 0.0320 -0.0528 -0.0317 170 LEU A CB 1396 C CG . LEU A 170 ? 0.2333 0.1907 0.2636 0.0273 -0.0278 -0.0289 170 LEU A CG 1397 C CD1 . LEU A 170 ? 0.2323 0.1861 0.2501 0.0205 -0.0264 -0.0100 170 LEU A CD1 1398 C CD2 . LEU A 170 ? 0.1846 0.1732 0.2299 0.0357 -0.0163 -0.0523 170 LEU A CD2 1399 N N . ASP A 171 ? 0.2885 0.1907 0.4038 0.0599 -0.0996 -0.0784 171 ASP A N 1400 C CA . ASP A 171 ? 0.3838 0.2685 0.5197 0.0622 -0.1287 -0.0795 171 ASP A CA 1401 C C . ASP A 171 ? 0.4113 0.2794 0.5458 0.0558 -0.1436 -0.0599 171 ASP A C 1402 O O . ASP A 171 ? 0.4689 0.3130 0.6075 0.0497 -0.1699 -0.0495 171 ASP A O 1403 C CB . ASP A 171 ? 0.4462 0.3596 0.6146 0.0787 -0.1320 -0.1142 171 ASP A CB 1404 C CG . ASP A 171 ? 0.6106 0.5423 0.7769 0.0826 -0.1198 -0.1330 171 ASP A CG 1405 O OD1 . ASP A 171 ? 0.6606 0.5686 0.8113 0.0749 -0.1249 -0.1207 171 ASP A OD1 1406 O OD2 . ASP A 171 ? 0.6730 0.6449 0.8511 0.0910 -0.1051 -0.1590 171 ASP A OD2 1407 N N . GLU A 172 ? 0.3024 0.1843 0.4298 0.0563 -0.1277 -0.0552 172 GLU A N 1408 C CA . GLU A 172 ? 0.3313 0.2007 0.4521 0.0490 -0.1387 -0.0365 172 GLU A CA 1409 C C . GLU A 172 ? 0.3013 0.1824 0.4012 0.0449 -0.1164 -0.0235 172 GLU A C 1410 O O . GLU A 172 ? 0.2921 0.1997 0.3876 0.0479 -0.0920 -0.0339 172 GLU A O 1411 C CB . GLU A 172 ? 0.3996 0.2796 0.5539 0.0614 -0.1538 -0.0572 172 GLU A CB 1412 C CG . GLU A 172 ? 0.4667 0.3885 0.6430 0.0756 -0.1333 -0.0850 172 GLU A CG 1413 C CD . GLU A 172 ? 0.6278 0.5678 0.8403 0.0885 -0.1455 -0.1174 172 GLU A CD 1414 O OE1 . GLU A 172 ? 0.6737 0.6262 0.8913 0.0931 -0.1401 -0.1338 172 GLU A OE1 1415 O OE2 . GLU A 172 ? 0.6744 0.6166 0.9103 0.0939 -0.1616 -0.1275 172 GLU A OE2 1416 N N . PRO A 173 ? 0.3395 0.2098 0.4202 0.0331 -0.1217 -0.0010 173 PRO A N 1417 C CA . PRO A 173 ? 0.3024 0.1871 0.3616 0.0282 -0.1018 0.0106 173 PRO A CA 1418 C C . PRO A 173 ? 0.2620 0.1812 0.3410 0.0396 -0.0859 -0.0098 173 PRO A C 1419 O O . PRO A 173 ? 0.2716 0.1967 0.3842 0.0530 -0.0982 -0.0277 173 PRO A O 1420 C CB . PRO A 173 ? 0.3534 0.2255 0.3933 0.0148 -0.1128 0.0309 173 PRO A CB 1421 C CG . PRO A 173 ? 0.4433 0.2978 0.5014 0.0156 -0.1388 0.0259 173 PRO A CG 1422 C CD . PRO A 173 ? 0.4223 0.2709 0.4957 0.0211 -0.1444 0.0138 173 PRO A CD 1423 N N . LEU A 174 ? 0.2434 0.1860 0.3029 0.0332 -0.0602 -0.0075 174 LEU A N 1424 C CA . LEU A 174 ? 0.2024 0.1781 0.2744 0.0373 -0.0440 -0.0219 174 LEU A CA 1425 C C . LEU A 174 ? 0.1811 0.1565 0.2446 0.0323 -0.0451 -0.0094 174 LEU A C 1426 O O . LEU A 174 ? 0.2207 0.1854 0.2551 0.0226 -0.0414 0.0082 174 LEU A O 1427 C CB . LEU A 174 ? 0.2360 0.2299 0.2885 0.0306 -0.0211 -0.0233 174 LEU A CB 1428 C CG . LEU A 174 ? 0.3085 0.3379 0.3672 0.0289 -0.0029 -0.0365 174 LEU A CG 1429 C CD1 . LEU A 174 ? 0.3330 0.3875 0.4295 0.0402 -0.0059 -0.0628 174 LEU A CD1 1430 C CD2 . LEU A 174 ? 0.3261 0.3625 0.3622 0.0220 0.0116 -0.0359 174 LEU A CD2 1431 N N . LEU A 175 ? 0.1585 0.1481 0.2497 0.0394 -0.0513 -0.0210 175 LEU A N 1432 C CA . LEU A 175 ? 0.2145 0.2058 0.3000 0.0347 -0.0530 -0.0114 175 LEU A CA 1433 C C . LEU A 175 ? 0.1965 0.2226 0.2927 0.0313 -0.0350 -0.0215 175 LEU A C 1434 O O . LEU A 175 ? 0.2553 0.3106 0.3829 0.0372 -0.0308 -0.0419 175 LEU A O 1435 C CB . LEU A 175 ? 0.2824 0.2591 0.3901 0.0425 -0.0791 -0.0123 175 LEU A CB 1436 C CG . LEU A 175 ? 0.3322 0.2705 0.4148 0.0366 -0.0998 0.0096 175 LEU A CG 1437 C CD1 . LEU A 175 ? 0.3675 0.2834 0.4514 0.0380 -0.1121 0.0103 175 LEU A CD1 1438 C CD2 . LEU A 175 ? 0.3571 0.2858 0.4503 0.0382 -0.1204 0.0113 175 LEU A CD2 1439 N N . LYS A 176 ? 0.1690 0.1936 0.2401 0.0207 -0.0258 -0.0083 176 LYS A N 1440 C CA . LYS A 176 ? 0.1613 0.2124 0.2386 0.0127 -0.0130 -0.0123 176 LYS A CA 1441 C C . LYS A 176 ? 0.1582 0.2043 0.2395 0.0105 -0.0237 -0.0060 176 LYS A C 1442 O O . LYS A 176 ? 0.1683 0.1899 0.2254 0.0087 -0.0313 0.0073 176 LYS A O 1443 C CB . LYS A 176 ? 0.2352 0.2846 0.2828 0.0017 0.0015 -0.0031 176 LYS A CB 1444 C CG . LYS A 176 ? 0.3829 0.4619 0.4360 -0.0050 0.0174 -0.0132 176 LYS A CG 1445 C CD . LYS A 176 ? 0.4042 0.4939 0.4745 0.0058 0.0185 -0.0303 176 LYS A CD 1446 C CE . LYS A 176 ? 0.4951 0.6215 0.5686 -0.0020 0.0358 -0.0437 176 LYS A CE 1447 N NZ . LYS A 176 ? 0.5126 0.6484 0.6005 0.0099 0.0361 -0.0637 176 LYS A NZ 1448 N N . HIS A 177 ? 0.1592 0.2329 0.2724 0.0104 -0.0239 -0.0179 177 HIS A N 1449 C CA . HIS A 177 ? 0.1813 0.2527 0.3080 0.0109 -0.0382 -0.0159 177 HIS A CA 1450 C C . HIS A 177 ? 0.2274 0.3051 0.3431 -0.0038 -0.0314 -0.0077 177 HIS A C 1451 O O . HIS A 177 ? 0.2246 0.3195 0.3345 -0.0157 -0.0157 -0.0071 177 HIS A O 1452 C CB . HIS A 177 ? 0.1676 0.2690 0.3429 0.0200 -0.0450 -0.0365 177 HIS A CB 1453 C CG . HIS A 177 ? 0.1919 0.2859 0.3853 0.0248 -0.0664 -0.0358 177 HIS A CG 1454 N ND1 . HIS A 177 ? 0.2298 0.2880 0.4139 0.0339 -0.0902 -0.0274 177 HIS A ND1 1455 C CD2 . HIS A 177 ? 0.2043 0.3228 0.4241 0.0200 -0.0693 -0.0420 177 HIS A CD2 1456 C CE1 . HIS A 177 ? 0.2329 0.2919 0.4352 0.0360 -0.1077 -0.0286 177 HIS A CE1 1457 N NE2 . HIS A 177 ? 0.2389 0.3348 0.4654 0.0286 -0.0953 -0.0384 177 HIS A NE2 1458 N N . TRP A 178 ? 0.1900 0.2510 0.3006 -0.0041 -0.0460 -0.0006 178 TRP A N 1459 C CA . TRP A 178 ? 0.1504 0.2168 0.2603 -0.0170 -0.0457 0.0042 178 TRP A CA 1460 C C . TRP A 178 ? 0.1801 0.2440 0.3079 -0.0134 -0.0646 0.0020 178 TRP A C 1461 O O . TRP A 178 ? 0.1925 0.2329 0.3088 -0.0037 -0.0801 0.0054 178 TRP A O 1462 C CB . TRP A 178 ? 0.1498 0.1884 0.2211 -0.0230 -0.0445 0.0169 178 TRP A CB 1463 C CG . TRP A 178 ? 0.1817 0.2209 0.2543 -0.0371 -0.0481 0.0217 178 TRP A CG 1464 C CD1 . TRP A 178 ? 0.2101 0.2605 0.2816 -0.0540 -0.0387 0.0268 178 TRP A CD1 1465 C CD2 . TRP A 178 ? 0.2363 0.2627 0.3108 -0.0380 -0.0649 0.0229 178 TRP A CD2 1466 N NE1 . TRP A 178 ? 0.2867 0.3292 0.3607 -0.0660 -0.0500 0.0324 178 TRP A NE1 1467 C CE2 . TRP A 178 ? 0.2587 0.2871 0.3360 -0.0552 -0.0659 0.0285 178 TRP A CE2 1468 C CE3 . TRP A 178 ? 0.2810 0.2932 0.3525 -0.0276 -0.0811 0.0206 178 TRP A CE3 1469 C CZ2 . TRP A 178 ? 0.2754 0.2910 0.3563 -0.0604 -0.0828 0.0299 178 TRP A CZ2 1470 C CZ3 . TRP A 178 ? 0.3567 0.3593 0.4297 -0.0321 -0.0963 0.0209 178 TRP A CZ3 1471 C CH2 . TRP A 178 ? 0.3296 0.3335 0.4090 -0.0474 -0.0972 0.0245 178 TRP A CH2 1472 N N . GLU A 179 ? 0.1530 0.2429 0.3081 -0.0235 -0.0642 -0.0029 179 GLU A N 1473 C CA . GLU A 179 ? 0.1561 0.2429 0.3271 -0.0224 -0.0833 -0.0042 179 GLU A CA 1474 C C . GLU A 179 ? 0.1645 0.2681 0.3469 -0.0416 -0.0804 -0.0016 179 GLU A C 1475 O O . GLU A 179 ? 0.1843 0.3110 0.3704 -0.0566 -0.0633 -0.0003 179 GLU A O 1476 C CB . GLU A 179 ? 0.2549 0.3616 0.4672 -0.0093 -0.0950 -0.0187 179 GLU A CB 1477 C CG . GLU A 179 ? 0.2050 0.3628 0.4612 -0.0116 -0.0802 -0.0365 179 GLU A CG 1478 C CD . GLU A 179 ? 0.2461 0.4177 0.5417 0.0058 -0.0943 -0.0542 179 GLU A CD 1479 O OE1 . GLU A 179 ? 0.2537 0.3991 0.5405 0.0215 -0.1042 -0.0554 179 GLU A OE1 1480 O OE2 . GLU A 179 ? 0.3114 0.5108 0.6350 0.0025 -0.0937 -0.0643 179 GLU A OE2 1481 N N . PHE A 180 ? 0.2190 0.3095 0.4044 -0.0432 -0.0989 0.0006 180 PHE A N 1482 C CA . PHE A 180 ? 0.2560 0.3541 0.4502 -0.0628 -0.1015 0.0052 180 PHE A CA 1483 C C . PHE A 180 ? 0.2945 0.4465 0.5331 -0.0777 -0.0893 -0.0031 180 PHE A C 1484 O O . PHE A 180 ? 0.2647 0.4487 0.5406 -0.0670 -0.0894 -0.0187 180 PHE A O 1485 C CB . PHE A 180 ? 0.3024 0.3781 0.4955 -0.0593 -0.1262 0.0055 180 PHE A CB 1486 C CG . PHE A 180 ? 0.3639 0.4406 0.5639 -0.0783 -0.1313 0.0101 180 PHE A CG 1487 C CD1 . PHE A 180 ? 0.3739 0.4774 0.6065 -0.0834 -0.1342 0.0029 180 PHE A CD1 1488 C CD2 . PHE A 180 ? 0.3772 0.4251 0.5479 -0.0894 -0.1325 0.0210 180 PHE A CD2 1489 C CE1 . PHE A 180 ? 0.4307 0.5331 0.6659 -0.1013 -0.1377 0.0081 180 PHE A CE1 1490 C CE2 . PHE A 180 ? 0.4503 0.4921 0.6229 -0.1050 -0.1379 0.0263 180 PHE A CE2 1491 C CZ . PHE A 180 ? 0.4660 0.5354 0.6705 -0.1122 -0.1400 0.0207 180 PHE A CZ 1492 N N . ASP A 181 ? 0.3924 0.5541 0.6261 -0.1031 -0.0806 0.0070 181 ASP A N 1493 C CA . ASP A 181 ? 0.5224 0.7363 0.7846 -0.1248 -0.0636 0.0018 181 ASP A CA 1494 C C . ASP A 181 ? 0.5398 0.7736 0.7879 -0.1344 -0.0387 0.0040 181 ASP A C 1495 O O . ASP A 181 ? 0.5884 0.8429 0.8366 -0.1528 -0.0242 0.0072 181 ASP A O 1496 C CB . ASP A 181 ? 0.5965 0.8593 0.9066 -0.1175 -0.0637 -0.0191 181 ASP A CB 1497 C CG . ASP A 181 ? 0.6648 0.9185 0.9840 -0.1212 -0.0809 -0.0187 181 ASP A CG 1498 O OD1 . ASP A 181 ? 0.7318 0.9485 1.0257 -0.1332 -0.0895 -0.0043 181 ASP A OD1 1499 O OD2 . ASP A 181 ? 0.6726 0.9515 1.0222 -0.1102 -0.0876 -0.0306 181 ASP A OD2 1500 N N . ASP B 4 ? 0.5939 0.5135 0.6023 0.0675 -0.0932 0.1021 2 ASP B N 1501 C CA . ASP B 4 ? 0.5683 0.4788 0.5623 0.0605 -0.0832 0.0989 2 ASP B CA 1502 C C . ASP B 4 ? 0.5423 0.4539 0.5517 0.0652 -0.0736 0.0918 2 ASP B C 1503 O O . ASP B 4 ? 0.6087 0.5353 0.6319 0.0659 -0.0717 0.0862 2 ASP B O 1504 C CB . ASP B 4 ? 0.5346 0.4538 0.5151 0.0506 -0.0837 0.0963 2 ASP B CB 1505 C CG . ASP B 4 ? 0.4746 0.3836 0.4365 0.0423 -0.0749 0.0950 2 ASP B CG 1506 O OD1 . ASP B 4 ? 0.4339 0.3321 0.3979 0.0436 -0.0675 0.0938 2 ASP B OD1 1507 O OD2 . ASP B 4 ? 0.4862 0.3984 0.4317 0.0344 -0.0753 0.0947 2 ASP B OD2 1508 N N . THR B 5 ? 0.5041 0.3991 0.5104 0.0680 -0.0675 0.0918 3 THR B N 1509 C CA . THR B 5 ? 0.4837 0.3766 0.5012 0.0732 -0.0582 0.0844 3 THR B CA 1510 C C . THR B 5 ? 0.4348 0.3171 0.4383 0.0652 -0.0499 0.0808 3 THR B C 1511 O O . THR B 5 ? 0.4716 0.3474 0.4798 0.0688 -0.0422 0.0746 3 THR B O 1512 C CB . THR B 5 ? 0.5515 0.4328 0.5784 0.0841 -0.0570 0.0848 3 THR B CB 1513 O OG1 . THR B 5 ? 0.6013 0.4624 0.6133 0.0810 -0.0577 0.0906 3 THR B OG1 1514 C CG2 . THR B 5 ? 0.5633 0.4569 0.6073 0.0926 -0.0652 0.0879 3 THR B CG2 1515 N N . ARG B 6 ? 0.3420 0.2230 0.3284 0.0546 -0.0513 0.0840 4 ARG B N 1516 C CA . ARG B 6 ? 0.2960 0.1701 0.2710 0.0459 -0.0441 0.0807 4 ARG B CA 1517 C C . ARG B 6 ? 0.3034 0.1877 0.2861 0.0461 -0.0389 0.0728 4 ARG B C 1518 O O . ARG B 6 ? 0.2729 0.1732 0.2640 0.0476 -0.0417 0.0716 4 ARG B O 1519 C CB . ARG B 6 ? 0.2821 0.1572 0.2385 0.0351 -0.0458 0.0850 4 ARG B CB 1520 C CG . ARG B 6 ? 0.3904 0.2530 0.3358 0.0330 -0.0489 0.0931 4 ARG B CG 1521 C CD . ARG B 6 ? 0.4274 0.2937 0.3544 0.0229 -0.0488 0.0963 4 ARG B CD 1522 N NE . ARG B 6 ? 0.4583 0.3384 0.3827 0.0237 -0.0552 0.0968 4 ARG B NE 1523 C CZ . ARG B 6 ? 0.4676 0.3548 0.3774 0.0164 -0.0546 0.0965 4 ARG B CZ 1524 N NH1 . ARG B 6 ? 0.4923 0.3761 0.3903 0.0081 -0.0469 0.0961 4 ARG B NH1 1525 N NH2 . ARG B 6 ? 0.4155 0.3136 0.3232 0.0175 -0.0615 0.0960 4 ARG B NH2 1526 N N . PRO B 7 ? 0.3199 0.1948 0.3003 0.0441 -0.0317 0.0675 5 PRO B N 1527 C CA . PRO B 7 ? 0.2589 0.1416 0.2442 0.0444 -0.0268 0.0602 5 PRO B CA 1528 C C . PRO B 7 ? 0.2413 0.1373 0.2181 0.0351 -0.0271 0.0597 5 PRO B C 1529 O O . PRO B 7 ? 0.2601 0.1508 0.2217 0.0270 -0.0293 0.0639 5 PRO B O 1530 C CB . PRO B 7 ? 0.3022 0.1692 0.2800 0.0421 -0.0203 0.0540 5 PRO B CB 1531 C CG . PRO B 7 ? 0.3297 0.1841 0.2985 0.0359 -0.0228 0.0595 5 PRO B CG 1532 C CD . PRO B 7 ? 0.3342 0.1908 0.3081 0.0413 -0.0287 0.0674 5 PRO B CD 1533 N N . ARG B 8 ? 0.2091 0.1227 0.1961 0.0364 -0.0239 0.0545 6 ARG B N 1534 C CA . ARG B 8 ? 0.1853 0.1115 0.1660 0.0285 -0.0232 0.0522 6 ARG B CA 1535 C C . ARG B 8 ? 0.1633 0.0926 0.1423 0.0252 -0.0145 0.0443 6 ARG B C 1536 O O . ARG B 8 ? 0.1784 0.1056 0.1639 0.0302 -0.0090 0.0398 6 ARG B O 1537 C CB . ARG B 8 ? 0.1747 0.1178 0.1683 0.0311 -0.0281 0.0531 6 ARG B CB 1538 C CG . ARG B 8 ? 0.1825 0.1269 0.1677 0.0279 -0.0381 0.0592 6 ARG B CG 1539 C CD . ARG B 8 ? 0.2130 0.1451 0.1962 0.0324 -0.0455 0.0675 6 ARG B CD 1540 N NE . ARG B 8 ? 0.2282 0.1617 0.1979 0.0282 -0.0526 0.0715 6 ARG B NE 1541 C CZ . ARG B 8 ? 0.2578 0.1847 0.2233 0.0308 -0.0576 0.0771 6 ARG B CZ 1542 N NH1 . ARG B 8 ? 0.2864 0.2046 0.2609 0.0377 -0.0567 0.0793 6 ARG B NH1 1543 N NH2 . ARG B 8 ? 0.2596 0.1880 0.2111 0.0267 -0.0636 0.0804 6 ARG B NH2 1544 N N . PHE B 9 ? 0.1633 0.0975 0.1328 0.0172 -0.0133 0.0424 7 PHE B N 1545 C CA . PHE B 9 ? 0.1863 0.1242 0.1542 0.0138 -0.0069 0.0357 7 PHE B CA 1546 C C . PHE B 9 ? 0.1736 0.1253 0.1421 0.0098 -0.0074 0.0337 7 PHE B C 1547 O O . PHE B 9 ? 0.1713 0.1249 0.1323 0.0058 -0.0110 0.0361 7 PHE B O 1548 C CB . PHE B 9 ? 0.1764 0.1030 0.1329 0.0077 -0.0047 0.0349 7 PHE B CB 1549 C CG . PHE B 9 ? 0.1956 0.1051 0.1500 0.0105 -0.0056 0.0373 7 PHE B CG 1550 C CD1 . PHE B 9 ? 0.2581 0.1578 0.2066 0.0088 -0.0102 0.0448 7 PHE B CD1 1551 C CD2 . PHE B 9 ? 0.1949 0.0967 0.1519 0.0149 -0.0021 0.0320 7 PHE B CD2 1552 C CE1 . PHE B 9 ? 0.3015 0.1830 0.2487 0.0116 -0.0117 0.0473 7 PHE B CE1 1553 C CE2 . PHE B 9 ? 0.2368 0.1206 0.1919 0.0181 -0.0032 0.0330 7 PHE B CE2 1554 C CZ . PHE B 9 ? 0.2718 0.1451 0.2230 0.0164 -0.0083 0.0408 7 PHE B CZ 1555 N N . LEU B 10 ? 0.1338 0.0938 0.1098 0.0112 -0.0038 0.0293 8 LEU B N 1556 C CA . LEU B 10 ? 0.1186 0.0902 0.0979 0.0085 -0.0052 0.0274 8 LEU B CA 1557 C C . LEU B 10 ? 0.1332 0.1077 0.1105 0.0054 -0.0005 0.0224 8 LEU B C 1558 O O . LEU B 10 ? 0.1534 0.1259 0.1325 0.0075 0.0037 0.0203 8 LEU B O 1559 C CB . LEU B 10 ? 0.1173 0.0980 0.1116 0.0129 -0.0071 0.0288 8 LEU B CB 1560 C CG . LEU B 10 ? 0.1344 0.1256 0.1346 0.0100 -0.0094 0.0269 8 LEU B CG 1561 C CD1 . LEU B 10 ? 0.1274 0.1191 0.1199 0.0066 -0.0167 0.0278 8 LEU B CD1 1562 C CD2 . LEU B 10 ? 0.1350 0.1354 0.1536 0.0137 -0.0094 0.0287 8 LEU B CD2 1563 N N . GLU B 11 ? 0.1010 0.0797 0.0738 0.0009 -0.0016 0.0205 9 GLU B N 1564 C CA . GLU B 11 ? 0.1174 0.1001 0.0910 -0.0012 0.0012 0.0162 9 GLU B CA 1565 C C . GLU B 11 ? 0.1194 0.1098 0.0994 -0.0013 -0.0013 0.0148 9 GLU B C 1566 O O . GLU B 11 ? 0.1308 0.1231 0.1085 -0.0025 -0.0054 0.0151 9 GLU B O 1567 C CB . GLU B 11 ? 0.1466 0.1282 0.1123 -0.0058 0.0026 0.0143 9 GLU B CB 1568 C CG . GLU B 11 ? 0.1399 0.1269 0.1086 -0.0073 0.0043 0.0100 9 GLU B CG 1569 C CD . GLU B 11 ? 0.1828 0.1666 0.1523 -0.0069 0.0061 0.0086 9 GLU B CD 1570 O OE1 . GLU B 11 ? 0.1814 0.1578 0.1475 -0.0061 0.0068 0.0100 9 GLU B OE1 1571 O OE2 . GLU B 11 ? 0.1684 0.1560 0.1411 -0.0070 0.0062 0.0061 9 GLU B OE2 1572 N N . GLN B 12 ? 0.0927 0.0862 0.0795 -0.0004 0.0006 0.0134 10 GLN B N 1573 C CA . GLN B 12 ? 0.1176 0.1163 0.1111 -0.0014 -0.0020 0.0120 10 GLN B CA 1574 C C . GLN B 12 ? 0.1327 0.1315 0.1258 -0.0026 -0.0001 0.0089 10 GLN B C 1575 O O . GLN B 12 ? 0.1131 0.1094 0.1034 -0.0020 0.0030 0.0089 10 GLN B O 1576 C CB . GLN B 12 ? 0.0926 0.0955 0.0985 0.0006 -0.0019 0.0152 10 GLN B CB 1577 C CG . GLN B 12 ? 0.0847 0.0894 0.0959 0.0031 -0.0043 0.0188 10 GLN B CG 1578 C CD . GLN B 12 ? 0.1197 0.1321 0.1476 0.0043 -0.0044 0.0218 10 GLN B CD 1579 O OE1 . GLN B 12 ? 0.1291 0.1458 0.1646 0.0014 -0.0087 0.0213 10 GLN B OE1 1580 N NE2 . GLN B 12 ? 0.1140 0.1280 0.1483 0.0085 0.0007 0.0246 10 GLN B NE2 1581 N N . VAL B 13 ? 0.1047 0.1054 0.1000 -0.0040 -0.0029 0.0059 11 VAL B N 1582 C CA . VAL B 13 ? 0.0816 0.0818 0.0795 -0.0041 -0.0022 0.0035 11 VAL B CA 1583 C C . VAL B 13 ? 0.1051 0.1057 0.1117 -0.0048 -0.0056 0.0034 11 VAL B C 1584 O O . VAL B 13 ? 0.1081 0.1094 0.1158 -0.0060 -0.0097 0.0016 11 VAL B O 1585 C CB . VAL B 13 ? 0.1144 0.1153 0.1074 -0.0047 -0.0018 -0.0014 11 VAL B CB 1586 C CG1 . VAL B 13 ? 0.1163 0.1169 0.1143 -0.0035 -0.0018 -0.0032 11 VAL B CG1 1587 C CG2 . VAL B 13 ? 0.1309 0.1320 0.1171 -0.0056 0.0011 -0.0007 11 VAL B CG2 1588 N N . LYS B 14 ? 0.1123 0.1114 0.1243 -0.0046 -0.0044 0.0058 12 LYS B N 1589 C CA . LYS B 14 ? 0.0790 0.0768 0.1003 -0.0062 -0.0077 0.0063 12 LYS B CA 1590 C C . LYS B 14 ? 0.1112 0.1043 0.1328 -0.0054 -0.0082 0.0049 12 LYS B C 1591 O O . LYS B 14 ? 0.1228 0.1145 0.1418 -0.0042 -0.0055 0.0083 12 LYS B O 1592 C CB . LYS B 14 ? 0.0749 0.0754 0.1051 -0.0073 -0.0056 0.0128 12 LYS B CB 1593 C CG . LYS B 14 ? 0.0691 0.0752 0.1026 -0.0072 -0.0063 0.0141 12 LYS B CG 1594 C CD . LYS B 14 ? 0.0758 0.0875 0.1220 -0.0077 -0.0034 0.0203 12 LYS B CD 1595 C CE . LYS B 14 ? 0.0948 0.1126 0.1463 -0.0064 -0.0056 0.0212 12 LYS B CE 1596 N NZ . LYS B 14 ? 0.0844 0.1107 0.1528 -0.0064 -0.0025 0.0270 12 LYS B NZ 1597 N N . HIS B 15 ? 0.1108 0.1006 0.1346 -0.0055 -0.0121 -0.0005 13 HIS B N 1598 C CA . HIS B 15 ? 0.1187 0.1032 0.1454 -0.0037 -0.0136 -0.0020 13 HIS B CA 1599 C C . HIS B 15 ? 0.1308 0.1094 0.1669 -0.0064 -0.0172 0.0007 13 HIS B C 1600 O O . HIS B 15 ? 0.1331 0.1091 0.1727 -0.0081 -0.0214 -0.0039 13 HIS B O 1601 C CB . HIS B 15 ? 0.1272 0.1113 0.1514 -0.0011 -0.0147 -0.0107 13 HIS B CB 1602 C CG . HIS B 15 ? 0.1097 0.1006 0.1258 -0.0004 -0.0110 -0.0134 13 HIS B CG 1603 N ND1 . HIS B 15 ? 0.1287 0.1236 0.1434 0.0014 -0.0080 -0.0129 13 HIS B ND1 1604 C CD2 . HIS B 15 ? 0.1729 0.1667 0.1816 -0.0016 -0.0102 -0.0162 13 HIS B CD2 1605 C CE1 . HIS B 15 ? 0.1506 0.1506 0.1589 0.0006 -0.0049 -0.0150 13 HIS B CE1 1606 N NE2 . HIS B 15 ? 0.1325 0.1315 0.1360 -0.0010 -0.0059 -0.0167 13 HIS B NE2 1607 N N . GLU B 16 ? 0.1168 0.0926 0.1563 -0.0072 -0.0157 0.0082 14 GLU B N 1608 C CA . GLU B 16 ? 0.1190 0.0902 0.1687 -0.0113 -0.0178 0.0132 14 GLU B CA 1609 C C . GLU B 16 ? 0.1430 0.1032 0.1966 -0.0106 -0.0214 0.0144 14 GLU B C 1610 O O . GLU B 16 ? 0.1434 0.1010 0.1919 -0.0074 -0.0205 0.0170 14 GLU B O 1611 C CB . GLU B 16 ? 0.1133 0.0895 0.1646 -0.0136 -0.0121 0.0225 14 GLU B CB 1612 C CG . GLU B 16 ? 0.1278 0.1139 0.1762 -0.0129 -0.0083 0.0220 14 GLU B CG 1613 C CD . GLU B 16 ? 0.1430 0.1345 0.1950 -0.0142 -0.0016 0.0302 14 GLU B CD 1614 O OE1 . GLU B 16 ? 0.1708 0.1588 0.2261 -0.0164 0.0008 0.0370 14 GLU B OE1 1615 O OE2 . GLU B 16 ? 0.1656 0.1644 0.2171 -0.0127 0.0018 0.0302 14 GLU B OE2 1616 N N . CYS B 17 ? 0.1304 0.0834 0.1935 -0.0138 -0.0265 0.0126 15 CYS B N 1617 C CA . CYS B 17 ? 0.1265 0.0665 0.1953 -0.0139 -0.0306 0.0149 15 CYS B CA 1618 C C . CYS B 17 ? 0.1609 0.0974 0.2402 -0.0210 -0.0306 0.0242 15 CYS B C 1619 O O . CYS B 17 ? 0.1595 0.0980 0.2479 -0.0261 -0.0333 0.0225 15 CYS B O 1620 C CB . CYS B 17 ? 0.1346 0.0659 0.2059 -0.0115 -0.0368 0.0037 15 CYS B CB 1621 S SG . CYS B 17 ? 0.1865 0.1229 0.2482 -0.0030 -0.0349 -0.0066 15 CYS B SG 1622 N N . HIS B 18 ? 0.1525 0.0843 0.2304 -0.0216 -0.0278 0.0346 16 HIS B N 1623 C CA . HIS B 18 ? 0.1760 0.1077 0.2610 -0.0278 -0.0253 0.0440 16 HIS B CA 1624 C C . HIS B 18 ? 0.2180 0.1366 0.3052 -0.0279 -0.0301 0.0451 16 HIS B C 1625 O O . HIS B 18 ? 0.1726 0.0837 0.2521 -0.0233 -0.0314 0.0469 16 HIS B O 1626 C CB . HIS B 18 ? 0.1671 0.1057 0.2438 -0.0281 -0.0164 0.0542 16 HIS B CB 1627 C CG . HIS B 18 ? 0.1687 0.1203 0.2433 -0.0274 -0.0107 0.0534 16 HIS B CG 1628 N ND1 . HIS B 18 ? 0.2226 0.1855 0.3037 -0.0310 -0.0039 0.0584 16 HIS B ND1 1629 C CD2 . HIS B 18 ? 0.2200 0.1777 0.2845 -0.0219 -0.0103 0.0454 16 HIS B CD2 1630 C CE1 . HIS B 18 ? 0.1957 0.1688 0.2721 -0.0278 -0.0001 0.0548 16 HIS B CE1 1631 N NE2 . HIS B 18 ? 0.1837 0.1536 0.2487 -0.0225 -0.0041 0.0467 16 HIS B NE2 1632 N N . PHE B 19 ? 0.1749 0.0910 0.2730 -0.0332 -0.0334 0.0442 17 PHE B N 1633 C CA . PHE B 19 ? 0.2100 0.1123 0.3117 -0.0338 -0.0385 0.0446 17 PHE B CA 1634 C C . PHE B 19 ? 0.2291 0.1304 0.3359 -0.0404 -0.0349 0.0558 17 PHE B C 1635 O O . PHE B 19 ? 0.2366 0.1477 0.3520 -0.0462 -0.0317 0.0590 17 PHE B O 1636 C CB . PHE B 19 ? 0.2120 0.1088 0.3208 -0.0343 -0.0463 0.0331 17 PHE B CB 1637 C CG . PHE B 19 ? 0.2160 0.1134 0.3185 -0.0279 -0.0489 0.0210 17 PHE B CG 1638 C CD1 . PHE B 19 ? 0.1746 0.0828 0.2760 -0.0288 -0.0479 0.0161 17 PHE B CD1 1639 C CD2 . PHE B 19 ? 0.2091 0.0969 0.3071 -0.0207 -0.0520 0.0147 17 PHE B CD2 1640 C CE1 . PHE B 19 ? 0.1864 0.0950 0.2804 -0.0232 -0.0494 0.0051 17 PHE B CE1 1641 C CE2 . PHE B 19 ? 0.1883 0.0782 0.2807 -0.0145 -0.0528 0.0033 17 PHE B CE2 1642 C CZ . PHE B 19 ? 0.1752 0.0750 0.2646 -0.0161 -0.0512 -0.0015 17 PHE B CZ 1643 N N . PHE B 20 ? 0.2229 0.1124 0.3247 -0.0393 -0.0356 0.0619 18 PHE B N 1644 C CA . PHE B 20 ? 0.2984 0.1840 0.4032 -0.0456 -0.0322 0.0729 18 PHE B CA 1645 C C . PHE B 20 ? 0.3326 0.2009 0.4423 -0.0458 -0.0398 0.0716 18 PHE B C 1646 O O . PHE B 20 ? 0.3151 0.1735 0.4185 -0.0391 -0.0443 0.0682 18 PHE B O 1647 C CB . PHE B 20 ? 0.3881 0.2738 0.4779 -0.0439 -0.0250 0.0835 18 PHE B CB 1648 C CG . PHE B 20 ? 0.4534 0.3533 0.5344 -0.0413 -0.0180 0.0835 18 PHE B CG 1649 C CD1 . PHE B 20 ? 0.4600 0.3620 0.5341 -0.0344 -0.0208 0.0761 18 PHE B CD1 1650 C CD2 . PHE B 20 ? 0.5150 0.4254 0.5943 -0.0455 -0.0083 0.0908 18 PHE B CD2 1651 C CE1 . PHE B 20 ? 0.4626 0.3760 0.5283 -0.0322 -0.0147 0.0763 18 PHE B CE1 1652 C CE2 . PHE B 20 ? 0.4852 0.4074 0.5558 -0.0425 -0.0017 0.0902 18 PHE B CE2 1653 C CZ . PHE B 20 ? 0.4795 0.4026 0.5430 -0.0361 -0.0053 0.0831 18 PHE B CZ 1654 N N . ASN B 21 ? 0.3208 0.1855 0.4425 -0.0533 -0.0415 0.0740 19 ASN B N 1655 C CA . ASN B 21 ? 0.4337 0.2805 0.5604 -0.0543 -0.0487 0.0731 19 ASN B CA 1656 C C . ASN B 21 ? 0.4267 0.2661 0.5531 -0.0471 -0.0569 0.0591 19 ASN B C 1657 O O . ASN B 21 ? 0.4190 0.2471 0.5397 -0.0405 -0.0602 0.0575 19 ASN B O 1658 C CB . ASN B 21 ? 0.5353 0.3706 0.6526 -0.0531 -0.0464 0.0845 19 ASN B CB 1659 C CG . ASN B 21 ? 0.6499 0.4652 0.7724 -0.0537 -0.0537 0.0847 19 ASN B CG 1660 O OD1 . ASN B 21 ? 0.5830 0.3931 0.7176 -0.0580 -0.0590 0.0791 19 ASN B OD1 1661 N ND2 . ASN B 21 ? 0.8671 0.6706 0.9802 -0.0490 -0.0547 0.0910 19 ASN B ND2 1662 N N . GLY B 22 ? 0.4506 0.2970 0.5825 -0.0480 -0.0598 0.0487 20 GLY B N 1663 C CA . GLY B 22 ? 0.4726 0.3139 0.6013 -0.0410 -0.0656 0.0344 20 GLY B CA 1664 C C . GLY B 22 ? 0.3979 0.2453 0.5159 -0.0324 -0.0624 0.0318 20 GLY B C 1665 O O . GLY B 22 ? 0.4429 0.3041 0.5570 -0.0328 -0.0569 0.0350 20 GLY B O 1666 N N . THR B 23 ? 0.3404 0.1779 0.4548 -0.0245 -0.0658 0.0261 21 THR B N 1667 C CA . THR B 23 ? 0.2917 0.1350 0.3982 -0.0160 -0.0634 0.0236 21 THR B CA 1668 C C . THR B 23 ? 0.3115 0.1489 0.4139 -0.0127 -0.0629 0.0338 21 THR B C 1669 O O . THR B 23 ? 0.3085 0.1476 0.4065 -0.0047 -0.0633 0.0314 21 THR B O 1670 C CB . THR B 23 ? 0.3094 0.1490 0.4153 -0.0079 -0.0669 0.0087 21 THR B CB 1671 O OG1 . THR B 23 ? 0.3478 0.1713 0.4585 -0.0060 -0.0721 0.0058 21 THR B OG1 1672 C CG2 . THR B 23 ? 0.3380 0.1841 0.4431 -0.0102 -0.0671 -0.0019 21 THR B CG2 1673 N N . GLU B 24 ? 0.3291 0.1597 0.4327 -0.0188 -0.0622 0.0453 22 GLU B N 1674 C CA . GLU B 24 ? 0.3469 0.1701 0.4443 -0.0163 -0.0621 0.0560 22 GLU B CA 1675 C C . GLU B 24 ? 0.3385 0.1733 0.4243 -0.0141 -0.0568 0.0622 22 GLU B C 1676 O O . GLU B 24 ? 0.3297 0.1620 0.4088 -0.0076 -0.0588 0.0649 22 GLU B O 1677 C CB . GLU B 24 ? 0.3904 0.2038 0.4903 -0.0243 -0.0614 0.0674 22 GLU B CB 1678 C CG . GLU B 24 ? 0.5186 0.3161 0.6288 -0.0256 -0.0681 0.0627 22 GLU B CG 1679 C CD . GLU B 24 ? 0.6194 0.4052 0.7294 -0.0158 -0.0742 0.0575 22 GLU B CD 1680 O OE1 . GLU B 24 ? 0.6200 0.4033 0.7228 -0.0112 -0.0742 0.0653 22 GLU B OE1 1681 O OE2 . GLU B 24 ? 0.7039 0.4834 0.8206 -0.0124 -0.0790 0.0454 22 GLU B OE2 1682 N N . ARG B 25 ? 0.2670 0.1143 0.3506 -0.0194 -0.0506 0.0644 23 ARG B N 1683 C CA . ARG B 25 ? 0.2963 0.1545 0.3682 -0.0175 -0.0451 0.0687 23 ARG B CA 1684 C C . ARG B 25 ? 0.2773 0.1489 0.3520 -0.0175 -0.0427 0.0600 23 ARG B C 1685 O O . ARG B 25 ? 0.2516 0.1281 0.3343 -0.0232 -0.0411 0.0577 23 ARG B O 1686 C CB . ARG B 25 ? 0.3095 0.1692 0.3737 -0.0239 -0.0378 0.0818 23 ARG B CB 1687 C CG . ARG B 25 ? 0.4085 0.2540 0.4672 -0.0244 -0.0395 0.0919 23 ARG B CG 1688 C CD . ARG B 25 ? 0.5317 0.3731 0.5787 -0.0162 -0.0434 0.0936 23 ARG B CD 1689 N NE . ARG B 25 ? 0.6276 0.4531 0.6728 -0.0149 -0.0481 0.1008 23 ARG B NE 1690 C CZ . ARG B 25 ? 0.7306 0.5489 0.7641 -0.0184 -0.0443 0.1136 23 ARG B CZ 1691 N NH1 . ARG B 25 ? 0.7289 0.5317 0.7614 -0.0169 -0.0494 0.1201 23 ARG B NH1 1692 N NH2 . ARG B 25 ? 0.7819 0.6081 0.8043 -0.0232 -0.0349 0.1199 23 ARG B NH2 1693 N N . VAL B 26 ? 0.2174 0.0949 0.2862 -0.0110 -0.0432 0.0553 24 VAL B N 1694 C CA . VAL B 26 ? 0.1973 0.0857 0.2676 -0.0103 -0.0413 0.0470 24 VAL B CA 1695 C C . VAL B 26 ? 0.1864 0.0835 0.2454 -0.0074 -0.0376 0.0504 24 VAL B C 1696 O O . VAL B 26 ? 0.2338 0.1283 0.2858 -0.0023 -0.0401 0.0529 24 VAL B O 1697 C CB . VAL B 26 ? 0.2107 0.0967 0.2873 -0.0044 -0.0466 0.0334 24 VAL B CB 1698 C CG1 . VAL B 26 ? 0.2055 0.1018 0.2816 -0.0037 -0.0443 0.0251 24 VAL B CG1 1699 C CG2 . VAL B 26 ? 0.2083 0.0842 0.2939 -0.0068 -0.0510 0.0288 24 VAL B CG2 1700 N N . ARG B 27 ? 0.1729 0.0802 0.2303 -0.0107 -0.0321 0.0505 25 ARG B N 1701 C CA . ARG B 27 ? 0.1984 0.1136 0.2447 -0.0082 -0.0285 0.0527 25 ARG B CA 1702 C C . ARG B 27 ? 0.1868 0.1131 0.2351 -0.0066 -0.0270 0.0418 25 ARG B C 1703 O O . ARG B 27 ? 0.2052 0.1354 0.2609 -0.0103 -0.0258 0.0379 25 ARG B O 1704 C CB . ARG B 27 ? 0.1959 0.1161 0.2339 -0.0130 -0.0202 0.0625 25 ARG B CB 1705 C CG . ARG B 27 ? 0.2571 0.1842 0.2806 -0.0105 -0.0159 0.0644 25 ARG B CG 1706 C CD . ARG B 27 ? 0.2895 0.2198 0.3027 -0.0140 -0.0067 0.0729 25 ARG B CD 1707 N NE . ARG B 27 ? 0.3483 0.2861 0.3482 -0.0119 -0.0014 0.0725 25 ARG B NE 1708 C CZ . ARG B 27 ? 0.5260 0.4674 0.5145 -0.0133 0.0077 0.0772 25 ARG B CZ 1709 N NH1 . ARG B 27 ? 0.6135 0.5527 0.6029 -0.0175 0.0125 0.0834 25 ARG B NH1 1710 N NH2 . ARG B 27 ? 0.5644 0.5112 0.5403 -0.0105 0.0122 0.0749 25 ARG B NH2 1711 N N . PHE B 28 ? 0.1421 0.0746 0.1831 -0.0013 -0.0274 0.0366 26 PHE B N 1712 C CA . PHE B 28 ? 0.1423 0.0858 0.1830 0.0002 -0.0252 0.0267 26 PHE B CA 1713 C C . PHE B 28 ? 0.1467 0.0994 0.1758 0.0000 -0.0199 0.0286 26 PHE B C 1714 O O . PHE B 28 ? 0.1498 0.1014 0.1702 0.0020 -0.0207 0.0327 26 PHE B O 1715 C CB . PHE B 28 ? 0.1236 0.0673 0.1683 0.0061 -0.0294 0.0178 26 PHE B CB 1716 C CG . PHE B 28 ? 0.1180 0.0734 0.1598 0.0076 -0.0261 0.0096 26 PHE B CG 1717 C CD1 . PHE B 28 ? 0.1355 0.0946 0.1784 0.0053 -0.0240 0.0033 26 PHE B CD1 1718 C CD2 . PHE B 28 ? 0.1113 0.0737 0.1491 0.0106 -0.0258 0.0085 26 PHE B CD2 1719 C CE1 . PHE B 28 ? 0.1681 0.1369 0.2066 0.0062 -0.0207 -0.0028 26 PHE B CE1 1720 C CE2 . PHE B 28 ? 0.1219 0.0946 0.1578 0.0109 -0.0224 0.0020 26 PHE B CE2 1721 C CZ . PHE B 28 ? 0.1394 0.1148 0.1748 0.0088 -0.0194 -0.0032 26 PHE B CZ 1722 N N . LEU B 29 ? 0.1400 0.1009 0.1689 -0.0022 -0.0156 0.0254 27 LEU B N 1723 C CA . LEU B 29 ? 0.1589 0.1271 0.1779 -0.0018 -0.0108 0.0255 27 LEU B CA 1724 C C . LEU B 29 ? 0.1785 0.1538 0.1977 -0.0006 -0.0105 0.0170 27 LEU B C 1725 O O . LEU B 29 ? 0.2181 0.1954 0.2430 -0.0020 -0.0110 0.0130 27 LEU B O 1726 C CB . LEU B 29 ? 0.1776 0.1485 0.1960 -0.0050 -0.0048 0.0313 27 LEU B CB 1727 C CG . LEU B 29 ? 0.2426 0.2080 0.2597 -0.0073 -0.0022 0.0413 27 LEU B CG 1728 C CD1 . LEU B 29 ? 0.2946 0.2667 0.3161 -0.0103 0.0051 0.0456 27 LEU B CD1 1729 C CD2 . LEU B 29 ? 0.2707 0.2319 0.2723 -0.0048 -0.0019 0.0451 27 LEU B CD2 1730 N N . ASP B 30 ? 0.1404 0.1191 0.1526 0.0014 -0.0101 0.0147 28 ASP B N 1731 C CA . ASP B 30 ? 0.1427 0.1281 0.1540 0.0016 -0.0087 0.0084 28 ASP B CA 1732 C C . ASP B 30 ? 0.1591 0.1461 0.1617 0.0004 -0.0046 0.0110 28 ASP B C 1733 O O . ASP B 30 ? 0.1660 0.1514 0.1609 0.0011 -0.0046 0.0127 28 ASP B O 1734 C CB . ASP B 30 ? 0.1923 0.1805 0.2050 0.0040 -0.0114 0.0044 28 ASP B CB 1735 C CG . ASP B 30 ? 0.2436 0.2383 0.2594 0.0041 -0.0097 -0.0026 28 ASP B CG 1736 O OD1 . ASP B 30 ? 0.2273 0.2213 0.2461 0.0041 -0.0094 -0.0061 28 ASP B OD1 1737 O OD2 . ASP B 30 ? 0.2299 0.2301 0.2445 0.0039 -0.0087 -0.0045 28 ASP B OD2 1738 N N . ARG B 31 ? 0.1347 0.1243 0.1386 -0.0010 -0.0019 0.0110 29 ARG B N 1739 C CA . ARG B 31 ? 0.1118 0.1020 0.1098 -0.0009 0.0025 0.0138 29 ARG B CA 1740 C C . ARG B 31 ? 0.1300 0.1229 0.1256 -0.0011 0.0034 0.0105 29 ARG B C 1741 O O . ARG B 31 ? 0.1299 0.1255 0.1298 -0.0020 0.0017 0.0082 29 ARG B O 1742 C CB . ARG B 31 ? 0.1061 0.0973 0.1103 -0.0018 0.0054 0.0187 29 ARG B CB 1743 C CG . ARG B 31 ? 0.1394 0.1271 0.1476 -0.0030 0.0046 0.0233 29 ARG B CG 1744 C CD . ARG B 31 ? 0.1348 0.1258 0.1527 -0.0051 0.0081 0.0286 29 ARG B CD 1745 N NE . ARG B 31 ? 0.1124 0.1059 0.1253 -0.0035 0.0155 0.0322 29 ARG B NE 1746 C CZ . ARG B 31 ? 0.1273 0.1268 0.1499 -0.0044 0.0206 0.0365 29 ARG B CZ 1747 N NH1 . ARG B 31 ? 0.1253 0.1290 0.1641 -0.0079 0.0177 0.0382 29 ARG B NH1 1748 N NH2 . ARG B 31 ? 0.1439 0.1455 0.1610 -0.0017 0.0286 0.0388 29 ARG B NH2 1749 N N . TYR B 32 ? 0.1289 0.1197 0.1164 -0.0004 0.0055 0.0104 30 TYR B N 1750 C CA . TYR B 32 ? 0.1324 0.1233 0.1168 -0.0008 0.0061 0.0084 30 TYR B CA 1751 C C . TYR B 32 ? 0.1496 0.1376 0.1308 0.0012 0.0099 0.0106 30 TYR B C 1752 O O . TYR B 32 ? 0.1452 0.1296 0.1207 0.0028 0.0126 0.0117 30 TYR B O 1753 C CB . TYR B 32 ? 0.1342 0.1240 0.1139 -0.0024 0.0045 0.0054 30 TYR B CB 1754 C CG . TYR B 32 ? 0.1364 0.1311 0.1221 -0.0033 0.0020 0.0027 30 TYR B CG 1755 C CD1 . TYR B 32 ? 0.1152 0.1101 0.1045 -0.0021 -0.0004 0.0028 30 TYR B CD1 1756 C CD2 . TYR B 32 ? 0.1689 0.1675 0.1563 -0.0049 0.0025 0.0001 30 TYR B CD2 1757 C CE1 . TYR B 32 ? 0.1650 0.1641 0.1615 -0.0015 -0.0024 -0.0003 30 TYR B CE1 1758 C CE2 . TYR B 32 ? 0.1572 0.1608 0.1503 -0.0047 0.0018 -0.0033 30 TYR B CE2 1759 C CZ . TYR B 32 ? 0.2046 0.2085 0.2033 -0.0026 -0.0008 -0.0039 30 TYR B CZ 1760 O OH . TYR B 32 ? 0.1900 0.1984 0.1960 -0.0011 -0.0013 -0.0080 30 TYR B OH 1761 N N . PHE B 33 ? 0.1081 0.0973 0.0922 0.0016 0.0099 0.0112 31 PHE B N 1762 C CA . PHE B 33 ? 0.1164 0.1039 0.1013 0.0049 0.0132 0.0133 31 PHE B CA 1763 C C . PHE B 33 ? 0.1045 0.0872 0.0852 0.0053 0.0121 0.0127 31 PHE B C 1764 O O . PHE B 33 ? 0.1195 0.1033 0.1000 0.0028 0.0088 0.0125 31 PHE B O 1765 C CB . PHE B 33 ? 0.1498 0.1444 0.1472 0.0060 0.0133 0.0165 31 PHE B CB 1766 C CG . PHE B 33 ? 0.1500 0.1487 0.1538 0.0044 0.0137 0.0182 31 PHE B CG 1767 C CD1 . PHE B 33 ? 0.0973 0.0972 0.1033 0.0012 0.0089 0.0165 31 PHE B CD1 1768 C CD2 . PHE B 33 ? 0.1482 0.1491 0.1560 0.0060 0.0193 0.0217 31 PHE B CD2 1769 C CE1 . PHE B 33 ? 0.1101 0.1113 0.1225 -0.0004 0.0086 0.0184 31 PHE B CE1 1770 C CE2 . PHE B 33 ? 0.1229 0.1263 0.1367 0.0036 0.0197 0.0246 31 PHE B CE2 1771 C CZ . PHE B 33 ? 0.1071 0.1099 0.1236 0.0003 0.0137 0.0231 31 PHE B CZ 1772 N N . TYR B 34 ? 0.1320 0.1081 0.1083 0.0085 0.0153 0.0124 32 TYR B N 1773 C CA . TYR B 34 ? 0.1297 0.0992 0.1038 0.0098 0.0142 0.0129 32 TYR B CA 1774 C C . TYR B 34 ? 0.1587 0.1305 0.1417 0.0157 0.0168 0.0154 32 TYR B C 1775 O O . TYR B 34 ? 0.1720 0.1431 0.1553 0.0198 0.0223 0.0145 32 TYR B O 1776 C CB . TYR B 34 ? 0.1532 0.1114 0.1163 0.0091 0.0150 0.0095 32 TYR B CB 1777 C CG . TYR B 34 ? 0.1482 0.0966 0.1089 0.0100 0.0136 0.0104 32 TYR B CG 1778 C CD1 . TYR B 34 ? 0.1646 0.1129 0.1254 0.0059 0.0099 0.0131 32 TYR B CD1 1779 C CD2 . TYR B 34 ? 0.1792 0.1174 0.1366 0.0151 0.0164 0.0085 32 TYR B CD2 1780 C CE1 . TYR B 34 ? 0.1635 0.1011 0.1214 0.0063 0.0082 0.0154 32 TYR B CE1 1781 C CE2 . TYR B 34 ? 0.1707 0.0976 0.1265 0.0163 0.0145 0.0096 32 TYR B CE2 1782 C CZ . TYR B 34 ? 0.1690 0.0954 0.1252 0.0116 0.0101 0.0137 32 TYR B CZ 1783 O OH . TYR B 34 ? 0.1923 0.1059 0.1463 0.0123 0.0078 0.0162 32 TYR B OH 1784 N N . HIS B 35 ? 0.1508 0.1262 0.1413 0.0164 0.0128 0.0187 33 HIS B N 1785 C CA . HIS B 35 ? 0.1647 0.1471 0.1694 0.0214 0.0134 0.0219 33 HIS B CA 1786 C C . HIS B 35 ? 0.1677 0.1613 0.1822 0.0205 0.0163 0.0226 33 HIS B C 1787 O O . HIS B 35 ? 0.1908 0.1894 0.2071 0.0158 0.0122 0.0228 33 HIS B O 1788 C CB . HIS B 35 ? 0.1660 0.1417 0.1720 0.0285 0.0180 0.0215 33 HIS B CB 1789 C CG . HIS B 35 ? 0.1807 0.1421 0.1763 0.0287 0.0153 0.0207 33 HIS B CG 1790 N ND1 . HIS B 35 ? 0.1916 0.1496 0.1818 0.0240 0.0087 0.0232 33 HIS B ND1 1791 C CD2 . HIS B 35 ? 0.2204 0.1688 0.2091 0.0326 0.0184 0.0178 33 HIS B CD2 1792 C CE1 . HIS B 35 ? 0.2430 0.1870 0.2249 0.0243 0.0080 0.0230 33 HIS B CE1 1793 N NE2 . HIS B 35 ? 0.2125 0.1497 0.1938 0.0296 0.0132 0.0193 33 HIS B NE2 1794 N N . GLN B 36 ? 0.1440 0.1404 0.1639 0.0249 0.0238 0.0229 34 GLN B N 1795 C CA A GLN B 36 ? 0.1403 0.1461 0.1683 0.0229 0.0275 0.0248 34 GLN B CA 1796 C CA B GLN B 36 ? 0.1737 0.1796 0.2023 0.0236 0.0283 0.0249 34 GLN B CA 1797 C C . GLN B 36 ? 0.2117 0.2118 0.2256 0.0216 0.0329 0.0227 34 GLN B C 1798 O O . GLN B 36 ? 0.2694 0.2747 0.2868 0.0192 0.0356 0.0250 34 GLN B O 1799 C CB A GLN B 36 ? 0.1844 0.2012 0.2312 0.0274 0.0329 0.0284 34 GLN B CB 1800 C CB B GLN B 36 ? 0.2132 0.2267 0.2560 0.0298 0.0358 0.0273 34 GLN B CB 1801 C CG A GLN B 36 ? 0.1892 0.2149 0.2539 0.0278 0.0256 0.0315 34 GLN B CG 1802 C CG B GLN B 36 ? 0.2276 0.2545 0.2938 0.0304 0.0320 0.0316 34 GLN B CG 1803 C CD A GLN B 36 ? 0.1902 0.2099 0.2540 0.0335 0.0228 0.0312 34 GLN B CD 1804 C CD B GLN B 36 ? 0.2803 0.3142 0.3617 0.0386 0.0394 0.0332 34 GLN B CD 1805 O OE1 A GLN B 36 ? 0.1839 0.1974 0.2400 0.0313 0.0144 0.0310 34 GLN B OE1 1806 O OE1 B GLN B 36 ? 0.2656 0.2953 0.3491 0.0443 0.0369 0.0326 34 GLN B OE1 1807 N NE2 A GLN B 36 ? 0.2589 0.2797 0.3300 0.0412 0.0302 0.0312 34 GLN B NE2 1808 N NE2 B GLN B 36 ? 0.3104 0.3546 0.4027 0.0394 0.0491 0.0356 34 GLN B NE2 1809 N N . GLU B 37 ? 0.1699 0.1585 0.1678 0.0226 0.0333 0.0187 35 GLU B N 1810 C CA A GLU B 37 ? 0.1959 0.1779 0.1786 0.0221 0.0371 0.0163 35 GLU B CA 1811 C CA B GLU B 37 ? 0.1863 0.1686 0.1693 0.0220 0.0371 0.0164 35 GLU B CA 1812 C C . GLU B 37 ? 0.1563 0.1373 0.1329 0.0161 0.0312 0.0157 35 GLU B C 1813 O O . GLU B 37 ? 0.1752 0.1523 0.1477 0.0134 0.0254 0.0132 35 GLU B O 1814 C CB A GLU B 37 ? 0.2547 0.2239 0.2234 0.0254 0.0386 0.0114 35 GLU B CB 1815 C CB B GLU B 37 ? 0.2514 0.2212 0.2203 0.0260 0.0398 0.0115 35 GLU B CB 1816 C CG A GLU B 37 ? 0.2979 0.2581 0.2476 0.0239 0.0392 0.0078 35 GLU B CG 1817 C CG B GLU B 37 ? 0.2960 0.2563 0.2572 0.0229 0.0327 0.0083 35 GLU B CG 1818 C CD A GLU B 37 ? 0.3627 0.3085 0.2992 0.0253 0.0374 0.0019 35 GLU B CD 1819 C CD B GLU B 37 ? 0.3081 0.2571 0.2652 0.0275 0.0339 0.0053 35 GLU B CD 1820 O OE1 A GLU B 37 ? 0.3883 0.3266 0.3110 0.0220 0.0336 -0.0015 35 GLU B OE1 1821 O OE1 B GLU B 37 ? 0.1445 0.0955 0.1127 0.0303 0.0327 0.0078 35 GLU B OE1 1822 O OE2 A GLU B 37 ? 0.3262 0.2676 0.2670 0.0295 0.0391 0.0008 35 GLU B OE2 1823 O OE2 B GLU B 37 ? 0.3763 0.3135 0.3188 0.0283 0.0351 0.0003 35 GLU B OE2 1824 N N . GLU B 38 ? 0.1643 0.1491 0.1415 0.0143 0.0329 0.0184 36 GLU B N 1825 C CA . GLU B 38 ? 0.1351 0.1179 0.1070 0.0102 0.0273 0.0178 36 GLU B CA 1826 C C . GLU B 38 ? 0.1785 0.1518 0.1333 0.0105 0.0263 0.0139 36 GLU B C 1827 O O . GLU B 38 ? 0.1955 0.1637 0.1391 0.0133 0.0313 0.0136 36 GLU B O 1828 C CB . GLU B 38 ? 0.1568 0.1433 0.1326 0.0085 0.0291 0.0225 36 GLU B CB 1829 C CG . GLU B 38 ? 0.1459 0.1304 0.1198 0.0053 0.0224 0.0221 36 GLU B CG 1830 C CD . GLU B 38 ? 0.1582 0.1440 0.1367 0.0035 0.0233 0.0276 36 GLU B CD 1831 O OE1 . GLU B 38 ? 0.1700 0.1579 0.1499 0.0042 0.0303 0.0322 36 GLU B OE1 1832 O OE2 . GLU B 38 ? 0.1559 0.1404 0.1375 0.0016 0.0174 0.0274 36 GLU B OE2 1833 N N . TYR B 39 ? 0.1330 0.1041 0.0857 0.0076 0.0198 0.0108 37 TYR B N 1834 C CA . TYR B 39 ? 0.1583 0.1209 0.0972 0.0069 0.0171 0.0069 37 TYR B CA 1835 C C . TYR B 39 ? 0.1789 0.1420 0.1147 0.0043 0.0111 0.0069 37 TYR B C 1836 O O . TYR B 39 ? 0.1671 0.1235 0.0901 0.0040 0.0083 0.0048 37 TYR B O 1837 C CB . TYR B 39 ? 0.1646 0.1228 0.1034 0.0055 0.0147 0.0034 37 TYR B CB 1838 C CG . TYR B 39 ? 0.1521 0.1167 0.1014 0.0018 0.0107 0.0036 37 TYR B CG 1839 C CD1 . TYR B 39 ? 0.1654 0.1321 0.1157 -0.0022 0.0057 0.0017 37 TYR B CD1 1840 C CD2 . TYR B 39 ? 0.1552 0.1239 0.1130 0.0023 0.0121 0.0057 37 TYR B CD2 1841 C CE1 . TYR B 39 ? 0.1385 0.1117 0.0976 -0.0052 0.0042 0.0017 37 TYR B CE1 1842 C CE2 . TYR B 39 ? 0.1420 0.1156 0.1055 -0.0010 0.0093 0.0057 37 TYR B CE2 1843 C CZ . TYR B 39 ? 0.1462 0.1222 0.1100 -0.0046 0.0064 0.0035 37 TYR B CZ 1844 O OH . TYR B 39 ? 0.1490 0.1304 0.1176 -0.0075 0.0056 0.0033 37 TYR B OH 1845 N N . VAL B 40 ? 0.1576 0.1279 0.1048 0.0027 0.0085 0.0089 38 VAL B N 1846 C CA . VAL B 40 ? 0.1540 0.1253 0.1013 0.0014 0.0027 0.0093 38 VAL B CA 1847 C C . VAL B 40 ? 0.1611 0.1376 0.1198 0.0016 0.0023 0.0125 38 VAL B C 1848 O O . VAL B 40 ? 0.1348 0.1157 0.1032 0.0012 0.0044 0.0125 38 VAL B O 1849 C CB . VAL B 40 ? 0.1528 0.1261 0.1035 -0.0012 -0.0031 0.0051 38 VAL B CB 1850 C CG1 . VAL B 40 ? 0.1492 0.1300 0.1129 -0.0027 -0.0022 0.0037 38 VAL B CG1 1851 C CG2 . VAL B 40 ? 0.1660 0.1399 0.1163 -0.0015 -0.0101 0.0054 38 VAL B CG2 1852 N N . ARG B 41 ? 0.1348 0.1092 0.0915 0.0020 -0.0012 0.0154 39 ARG B N 1853 C CA . ARG B 41 ? 0.1424 0.1185 0.1091 0.0021 -0.0019 0.0187 39 ARG B CA 1854 C C . ARG B 41 ? 0.1593 0.1335 0.1276 0.0030 -0.0089 0.0199 39 ARG B C 1855 O O . ARG B 41 ? 0.1578 0.1277 0.1151 0.0036 -0.0125 0.0215 39 ARG B O 1856 C CB . ARG B 41 ? 0.1656 0.1392 0.1288 0.0022 0.0041 0.0248 39 ARG B CB 1857 C CG . ARG B 41 ? 0.3121 0.2831 0.2806 0.0015 0.0025 0.0305 39 ARG B CG 1858 C CD . ARG B 41 ? 0.2906 0.2582 0.2506 0.0010 0.0090 0.0378 39 ARG B CD 1859 N NE . ARG B 41 ? 0.2406 0.2138 0.2059 0.0006 0.0170 0.0381 39 ARG B NE 1860 C CZ . ARG B 41 ? 0.2892 0.2637 0.2566 -0.0005 0.0241 0.0447 39 ARG B CZ 1861 N NH1 . ARG B 41 ? 0.2783 0.2472 0.2401 -0.0021 0.0244 0.0521 39 ARG B NH1 1862 N NH2 . ARG B 41 ? 0.2965 0.2783 0.2725 -0.0002 0.0310 0.0447 39 ARG B NH2 1863 N N . PHE B 42 ? 0.1227 0.0995 0.1043 0.0035 -0.0115 0.0187 40 PHE B N 1864 C CA . PHE B 42 ? 0.1160 0.0896 0.1018 0.0055 -0.0179 0.0211 40 PHE B CA 1865 C C . PHE B 42 ? 0.1795 0.1470 0.1676 0.0049 -0.0164 0.0272 40 PHE B C 1866 O O . PHE B 42 ? 0.1855 0.1546 0.1826 0.0035 -0.0137 0.0258 40 PHE B O 1867 C CB . PHE B 42 ? 0.1178 0.0973 0.1180 0.0074 -0.0214 0.0149 40 PHE B CB 1868 C CG . PHE B 42 ? 0.1152 0.0911 0.1230 0.0108 -0.0281 0.0169 40 PHE B CG 1869 C CD1 . PHE B 42 ? 0.1237 0.1020 0.1331 0.0132 -0.0349 0.0168 40 PHE B CD1 1870 C CD2 . PHE B 42 ? 0.1196 0.0891 0.1343 0.0117 -0.0287 0.0189 40 PHE B CD2 1871 C CE1 . PHE B 42 ? 0.1530 0.1279 0.1711 0.0174 -0.0420 0.0190 40 PHE B CE1 1872 C CE2 . PHE B 42 ? 0.1194 0.0835 0.1416 0.0156 -0.0353 0.0209 40 PHE B CE2 1873 C CZ . PHE B 42 ? 0.1438 0.1108 0.1678 0.0189 -0.0420 0.0212 40 PHE B CZ 1874 N N . ASP B 43 ? 0.1377 0.0978 0.1171 0.0053 -0.0189 0.0343 41 ASP B N 1875 C CA . ASP B 43 ? 0.1440 0.0969 0.1257 0.0039 -0.0177 0.0419 41 ASP B CA 1876 C C . ASP B 43 ? 0.1528 0.0990 0.1396 0.0067 -0.0265 0.0445 41 ASP B C 1877 O O . ASP B 43 ? 0.1656 0.1093 0.1438 0.0091 -0.0323 0.0466 41 ASP B O 1878 C CB . ASP B 43 ? 0.1732 0.1220 0.1382 0.0021 -0.0121 0.0498 41 ASP B CB 1879 C CG . ASP B 43 ? 0.2212 0.1636 0.1889 -0.0008 -0.0091 0.0593 41 ASP B CG 1880 O OD1 . ASP B 43 ? 0.2181 0.1560 0.1990 -0.0013 -0.0136 0.0605 41 ASP B OD1 1881 O OD2 . ASP B 43 ? 0.2385 0.1800 0.1949 -0.0027 -0.0015 0.0656 41 ASP B OD2 1882 N N . SER B 44 ? 0.1437 0.0861 0.1446 0.0069 -0.0284 0.0439 42 SER B N 1883 C CA . SER B 44 ? 0.1535 0.0882 0.1616 0.0108 -0.0369 0.0456 42 SER B CA 1884 C C . SER B 44 ? 0.1815 0.1049 0.1776 0.0105 -0.0405 0.0577 42 SER B C 1885 O O . SER B 44 ? 0.1963 0.1148 0.1945 0.0146 -0.0484 0.0594 42 SER B O 1886 C CB . SER B 44 ? 0.1951 0.1251 0.2194 0.0110 -0.0381 0.0418 42 SER B CB 1887 O OG . SER B 44 ? 0.1838 0.1073 0.2085 0.0056 -0.0344 0.0482 42 SER B OG 1888 N N . ASP B 45 ? 0.1888 0.1099 0.1723 0.0059 -0.0336 0.0652 43 ASP B N 1889 C CA . ASP B 45 ? 0.2492 0.1630 0.2169 0.0054 -0.0331 0.0743 43 ASP B CA 1890 C C . ASP B 45 ? 0.2092 0.1245 0.1619 0.0089 -0.0387 0.0738 43 ASP B C 1891 O O . ASP B 45 ? 0.2280 0.1376 0.1704 0.0106 -0.0422 0.0795 43 ASP B O 1892 C CB . ASP B 45 ? 0.2889 0.2030 0.2461 0.0005 -0.0216 0.0802 43 ASP B CB 1893 C CG . ASP B 45 ? 0.3657 0.2765 0.3361 -0.0039 -0.0174 0.0833 43 ASP B CG 1894 O OD1 . ASP B 45 ? 0.3937 0.3011 0.3804 -0.0033 -0.0232 0.0800 43 ASP B OD1 1895 O OD2 . ASP B 45 ? 0.4117 0.3235 0.3763 -0.0082 -0.0081 0.0883 43 ASP B OD2 1896 N N . VAL B 46 ? 0.1960 0.1187 0.1474 0.0096 -0.0399 0.0669 44 VAL B N 1897 C CA . VAL B 46 ? 0.2022 0.1274 0.1406 0.0117 -0.0458 0.0644 44 VAL B CA 1898 C C . VAL B 46 ? 0.1952 0.1259 0.1499 0.0160 -0.0563 0.0582 44 VAL B C 1899 O O . VAL B 46 ? 0.2509 0.1814 0.2039 0.0187 -0.0643 0.0592 44 VAL B O 1900 C CB . VAL B 46 ? 0.2388 0.1699 0.1653 0.0095 -0.0387 0.0589 44 VAL B CB 1901 C CG1 . VAL B 46 ? 0.2435 0.1752 0.1573 0.0109 -0.0467 0.0555 44 VAL B CG1 1902 C CG2 . VAL B 46 ? 0.2690 0.1955 0.1798 0.0064 -0.0278 0.0653 44 VAL B CG2 1903 N N . GLY B 47 ? 0.1852 0.1254 0.1583 0.0164 -0.0527 0.0491 45 GLY B N 1904 C CA . GLY B 47 ? 0.1891 0.1374 0.1805 0.0206 -0.0596 0.0423 45 GLY B CA 1905 C C . GLY B 47 ? 0.1673 0.1273 0.1591 0.0196 -0.0602 0.0350 45 GLY B C 1906 O O . GLY B 47 ? 0.1641 0.1329 0.1714 0.0226 -0.0658 0.0302 45 GLY B O 1907 N N A GLU B 48 ? 0.1571 0.1171 0.1332 0.0155 -0.0542 0.0342 46 GLU B N 1908 N N B GLU B 48 ? 0.1549 0.1150 0.1310 0.0154 -0.0541 0.0341 46 GLU B N 1909 C CA A GLU B 48 ? 0.1703 0.1392 0.1464 0.0133 -0.0538 0.0271 46 GLU B CA 1910 C CA B GLU B 48 ? 0.1470 0.1159 0.1231 0.0133 -0.0539 0.0271 46 GLU B CA 1911 C C A GLU B 48 ? 0.1886 0.1573 0.1562 0.0098 -0.0430 0.0247 46 GLU B C 1912 C C B GLU B 48 ? 0.1904 0.1589 0.1571 0.0097 -0.0432 0.0248 46 GLU B C 1913 O O A GLU B 48 ? 0.2016 0.1643 0.1617 0.0090 -0.0367 0.0291 46 GLU B O 1914 O O B GLU B 48 ? 0.2059 0.1678 0.1636 0.0089 -0.0371 0.0295 46 GLU B O 1915 C CB A GLU B 48 ? 0.1896 0.1555 0.1515 0.0128 -0.0629 0.0288 46 GLU B CB 1916 C CB B GLU B 48 ? 0.1871 0.1529 0.1493 0.0130 -0.0633 0.0290 46 GLU B CB 1917 C CG A GLU B 48 ? 0.2208 0.1906 0.1955 0.0164 -0.0757 0.0298 46 GLU B CG 1918 C CG B GLU B 48 ? 0.2336 0.1876 0.1680 0.0111 -0.0604 0.0340 46 GLU B CG 1919 C CD A GLU B 48 ? 0.2820 0.2485 0.2414 0.0153 -0.0867 0.0314 46 GLU B CD 1920 C CD B GLU B 48 ? 0.3837 0.3336 0.3005 0.0102 -0.0698 0.0337 46 GLU B CD 1921 O OE1 A GLU B 48 ? 0.3195 0.2783 0.2553 0.0121 -0.0832 0.0315 46 GLU B OE1 1922 O OE1 B GLU B 48 ? 0.3293 0.2853 0.2575 0.0112 -0.0808 0.0316 46 GLU B OE1 1923 O OE2 A GLU B 48 ? 0.2797 0.2528 0.2524 0.0173 -0.0952 0.0307 46 GLU B OE2 1924 O OE2 B GLU B 48 ? 0.4723 0.4139 0.3654 0.0086 -0.0652 0.0346 46 GLU B OE2 1925 N N . TYR B 49 ? 0.1790 0.1547 0.1495 0.0075 -0.0409 0.0183 47 TYR B N 1926 C CA . TYR B 49 ? 0.1626 0.1370 0.1246 0.0049 -0.0320 0.0163 47 TYR B CA 1927 C C . TYR B 49 ? 0.1580 0.1235 0.0977 0.0040 -0.0320 0.0183 47 TYR B C 1928 O O . TYR B 49 ? 0.1822 0.1444 0.1128 0.0040 -0.0401 0.0186 47 TYR B O 1929 C CB . TYR B 49 ? 0.1538 0.1365 0.1253 0.0026 -0.0300 0.0097 47 TYR B CB 1930 C CG . TYR B 49 ? 0.1043 0.0945 0.0923 0.0033 -0.0261 0.0071 47 TYR B CG 1931 C CD1 . TYR B 49 ? 0.1673 0.1655 0.1713 0.0051 -0.0300 0.0045 47 TYR B CD1 1932 C CD2 . TYR B 49 ? 0.1300 0.1196 0.1175 0.0025 -0.0188 0.0069 47 TYR B CD2 1933 C CE1 . TYR B 49 ? 0.1567 0.1607 0.1728 0.0063 -0.0257 0.0010 47 TYR B CE1 1934 C CE2 . TYR B 49 ? 0.1435 0.1385 0.1425 0.0030 -0.0162 0.0038 47 TYR B CE2 1935 C CZ . TYR B 49 ? 0.1899 0.1915 0.2018 0.0050 -0.0191 0.0005 47 TYR B CZ 1936 O OH . TYR B 49 ? 0.1886 0.1945 0.2090 0.0060 -0.0157 -0.0036 47 TYR B OH 1937 N N . ARG B 50 ? 0.1457 0.1075 0.0766 0.0036 -0.0229 0.0195 48 ARG B N 1938 C CA . ARG B 50 ? 0.1877 0.1411 0.0968 0.0036 -0.0203 0.0198 48 ARG B CA 1939 C C . ARG B 50 ? 0.1974 0.1516 0.1064 0.0031 -0.0121 0.0155 48 ARG B C 1940 O O . ARG B 50 ? 0.1866 0.1458 0.1074 0.0033 -0.0059 0.0164 48 ARG B O 1941 C CB . ARG B 50 ? 0.2362 0.1832 0.1329 0.0050 -0.0162 0.0276 48 ARG B CB 1942 C CG . ARG B 50 ? 0.2737 0.2166 0.1664 0.0059 -0.0254 0.0333 48 ARG B CG 1943 C CD . ARG B 50 ? 0.3634 0.2991 0.2351 0.0060 -0.0335 0.0320 48 ARG B CD 1944 N NE . ARG B 50 ? 0.3842 0.3167 0.2533 0.0072 -0.0434 0.0380 48 ARG B NE 1945 C CZ . ARG B 50 ? 0.5526 0.4809 0.4128 0.0079 -0.0401 0.0455 48 ARG B CZ 1946 N NH1 . ARG B 50 ? 0.6428 0.5694 0.5040 0.0092 -0.0491 0.0502 48 ARG B NH1 1947 N NH2 . ARG B 50 ? 0.5054 0.4322 0.3573 0.0072 -0.0276 0.0485 48 ARG B NH2 1948 N N . ALA B 51 ? 0.2025 0.1507 0.0983 0.0025 -0.0132 0.0107 49 ALA B N 1949 C CA . ALA B 51 ? 0.2082 0.1543 0.1023 0.0030 -0.0059 0.0069 49 ALA B CA 1950 C C . ALA B 51 ? 0.1969 0.1402 0.0824 0.0062 0.0043 0.0106 49 ALA B C 1951 O O . ALA B 51 ? 0.2589 0.1961 0.1272 0.0076 0.0056 0.0133 49 ALA B O 1952 C CB . ALA B 51 ? 0.2044 0.1419 0.0855 0.0016 -0.0104 0.0005 49 ALA B CB 1953 N N . VAL B 52 ? 0.1869 0.1357 0.0849 0.0072 0.0115 0.0112 50 VAL B N 1954 C CA . VAL B 52 ? 0.2071 0.1563 0.1024 0.0103 0.0220 0.0146 50 VAL B CA 1955 C C . VAL B 52 ? 0.2432 0.1853 0.1269 0.0136 0.0274 0.0092 50 VAL B C 1956 O O . VAL B 52 ? 0.2995 0.2380 0.1710 0.0170 0.0357 0.0100 50 VAL B O 1957 C CB . VAL B 52 ? 0.1906 0.1502 0.1076 0.0098 0.0256 0.0181 50 VAL B CB 1958 C CG1 . VAL B 52 ? 0.2379 0.2007 0.1566 0.0126 0.0365 0.0220 50 VAL B CG1 1959 C CG2 . VAL B 52 ? 0.2215 0.1854 0.1486 0.0070 0.0200 0.0221 50 VAL B CG2 1960 N N . THR B 53 ? 0.2198 0.1591 0.1074 0.0127 0.0233 0.0037 51 THR B N 1961 C CA . THR B 53 ? 0.2590 0.1879 0.1347 0.0157 0.0261 -0.0025 51 THR B CA 1962 C C . THR B 53 ? 0.2571 0.1780 0.1263 0.0117 0.0160 -0.0081 51 THR B C 1963 O O . THR B 53 ? 0.2606 0.1874 0.1388 0.0071 0.0083 -0.0067 51 THR B O 1964 C CB . THR B 53 ? 0.3078 0.2396 0.1977 0.0186 0.0315 -0.0030 51 THR B CB 1965 O OG1 . THR B 53 ? 0.2717 0.2080 0.1760 0.0145 0.0249 -0.0026 51 THR B OG1 1966 C CG2 . THR B 53 ? 0.2889 0.2312 0.1904 0.0218 0.0403 0.0027 51 THR B CG2 1967 N N . GLU B 54 ? 0.2878 0.2176 0.3248 0.0278 0.0038 -0.1328 52 GLU B N 1968 C CA . GLU B 54 ? 0.3465 0.2509 0.3731 0.0220 -0.0042 -0.1281 52 GLU B CA 1969 C C . GLU B 54 ? 0.2928 0.1630 0.3144 0.0220 -0.0170 -0.1034 52 GLU B C 1970 O O . GLU B 54 ? 0.2841 0.1416 0.2896 0.0113 -0.0188 -0.0889 52 GLU B O 1971 C CB . GLU B 54 ? 0.4401 0.3423 0.4811 0.0266 -0.0092 -0.1449 52 GLU B CB 1972 C CG . GLU B 54 ? 0.6583 0.5314 0.6923 0.0207 -0.0188 -0.1400 52 GLU B CG 1973 C CD . GLU B 54 ? 0.8165 0.7028 0.8322 0.0078 -0.0111 -0.1465 52 GLU B CD 1974 O OE1 . GLU B 54 ? 0.8576 0.7232 0.8651 -0.0006 -0.0178 -0.1389 52 GLU B OE1 1975 O OE2 . GLU B 54 ? 0.8660 0.7850 0.8742 0.0044 0.0013 -0.1577 52 GLU B OE2 1976 N N . LEU B 55 ? 0.3002 0.1605 0.3339 0.0323 -0.0251 -0.0976 53 LEU B N 1977 C CA . LEU B 55 ? 0.3316 0.1633 0.3559 0.0306 -0.0362 -0.0734 53 LEU B CA 1978 C C . LEU B 55 ? 0.3359 0.1714 0.3377 0.0190 -0.0292 -0.0525 53 LEU B C 1979 O O . LEU B 55 ? 0.3079 0.1215 0.2964 0.0112 -0.0351 -0.0346 53 LEU B O 1980 C CB . LEU B 55 ? 0.4143 0.2483 0.4520 0.0420 -0.0434 -0.0702 53 LEU B CB 1981 C CG . LEU B 55 ? 0.4525 0.2598 0.4892 0.0439 -0.0595 -0.0564 53 LEU B CG 1982 C CD1 . LEU B 55 ? 0.4073 0.1998 0.4536 0.0452 -0.0675 -0.0665 53 LEU B CD1 1983 C CD2 . LEU B 55 ? 0.4560 0.2713 0.5068 0.0552 -0.0676 -0.0573 53 LEU B CD2 1984 N N . GLY B 56 ? 0.2414 0.1089 0.2384 0.0160 -0.0155 -0.0535 54 GLY B N 1985 C CA . GLY B 56 ? 0.2229 0.0997 0.2032 0.0071 -0.0091 -0.0345 54 GLY B CA 1986 C C . GLY B 56 ? 0.2187 0.1048 0.1863 -0.0045 -0.0034 -0.0316 54 GLY B C 1987 O O . GLY B 56 ? 0.2281 0.1220 0.1861 -0.0109 0.0001 -0.0181 54 GLY B O 1988 N N . ARG B 57 ? 0.2337 0.1199 0.2033 -0.0066 -0.0037 -0.0461 55 ARG B N 1989 C CA . ARG B 57 ? 0.2729 0.1694 0.2309 -0.0171 -0.0006 -0.0454 55 ARG B CA 1990 C C . ARG B 57 ? 0.2296 0.1159 0.1819 -0.0264 -0.0040 -0.0303 55 ARG B C 1991 O O . ARG B 57 ? 0.2320 0.1343 0.1776 -0.0324 -0.0010 -0.0235 55 ARG B O 1992 C CB . ARG B 57 ? 0.3165 0.2140 0.2775 -0.0182 -0.0015 -0.0659 55 ARG B CB 1993 C CG . ARG B 57 ? 0.4129 0.3297 0.3790 -0.0121 0.0054 -0.0850 55 ARG B CG 1994 C CD . ARG B 57 ? 0.5259 0.4561 0.4845 -0.0184 0.0086 -0.1032 55 ARG B CD 1995 N NE . ARG B 57 ? 0.6327 0.5754 0.6037 -0.0119 0.0136 -0.1295 55 ARG B NE 1996 C CZ . ARG B 57 ? 0.6678 0.6374 0.6363 -0.0121 0.0251 -0.1374 55 ARG B CZ 1997 N NH1 . ARG B 57 ? 0.6602 0.6421 0.6126 -0.0183 0.0310 -0.1186 55 ARG B NH1 1998 N NH2 . ARG B 57 ? 0.6713 0.6561 0.6555 -0.0065 0.0296 -0.1599 55 ARG B NH2 1999 N N . PRO B 58 ? 0.2568 0.1168 0.2122 -0.0285 -0.0111 -0.0254 56 PRO B N 2000 C CA . PRO B 58 ? 0.2930 0.1487 0.2425 -0.0408 -0.0112 -0.0125 56 PRO B CA 2001 C C . PRO B 58 ? 0.2805 0.1519 0.2257 -0.0417 -0.0056 0.0007 56 PRO B C 2002 O O . PRO B 58 ? 0.2519 0.1371 0.1968 -0.0500 -0.0025 0.0049 56 PRO B O 2003 C CB . PRO B 58 ? 0.3230 0.1444 0.2720 -0.0442 -0.0198 -0.0072 56 PRO B CB 2004 C CG . PRO B 58 ? 0.3263 0.1336 0.2857 -0.0341 -0.0268 -0.0234 56 PRO B CG 2005 C CD . PRO B 58 ? 0.3036 0.1363 0.2678 -0.0220 -0.0203 -0.0325 56 PRO B CD 2006 N N . ASP B 59 ? 0.2222 0.0933 0.1674 -0.0326 -0.0050 0.0048 57 ASP B N 2007 C CA . ASP B 59 ? 0.2565 0.1414 0.1991 -0.0328 -0.0003 0.0150 57 ASP B CA 2008 C C . ASP B 59 ? 0.2490 0.1589 0.1938 -0.0312 0.0044 0.0128 57 ASP B C 2009 O O . ASP B 59 ? 0.1925 0.1152 0.1389 -0.0352 0.0064 0.0179 57 ASP B O 2010 C CB . ASP B 59 ? 0.2507 0.1278 0.1931 -0.0240 -0.0026 0.0190 57 ASP B CB 2011 C CG . ASP B 59 ? 0.3134 0.1621 0.2493 -0.0269 -0.0107 0.0258 57 ASP B CG 2012 O OD1 . ASP B 59 ? 0.3282 0.1700 0.2574 -0.0390 -0.0106 0.0317 57 ASP B OD1 2013 O OD2 . ASP B 59 ? 0.3158 0.1512 0.2546 -0.0173 -0.0180 0.0247 57 ASP B OD2 2014 N N . ALA B 60 ? 0.2112 0.1280 0.1560 -0.0261 0.0053 0.0046 58 ALA B N 2015 C CA . ALA B 60 ? 0.2023 0.1379 0.1436 -0.0267 0.0075 0.0053 58 ALA B CA 2016 C C . ALA B 60 ? 0.2141 0.1566 0.1547 -0.0340 0.0042 0.0056 58 ALA B C 2017 O O . ALA B 60 ? 0.2134 0.1675 0.1561 -0.0347 0.0023 0.0113 58 ALA B O 2018 C CB . ALA B 60 ? 0.1983 0.1406 0.1350 -0.0245 0.0105 -0.0043 58 ALA B CB 2019 N N . GLU B 61 ? 0.2250 0.1601 0.1657 -0.0390 0.0018 -0.0018 59 GLU B N 2020 C CA . GLU B 61 ? 0.2424 0.1860 0.1850 -0.0465 -0.0023 -0.0040 59 GLU B CA 2021 C C . GLU B 61 ? 0.1956 0.1450 0.1485 -0.0513 -0.0019 0.0025 59 GLU B C 2022 O O . GLU B 61 ? 0.2298 0.1957 0.1896 -0.0527 -0.0053 0.0027 59 GLU B O 2023 C CB . GLU B 61 ? 0.2561 0.1895 0.1982 -0.0517 -0.0049 -0.0151 59 GLU B CB 2024 C CG . GLU B 61 ? 0.4169 0.3538 0.3497 -0.0486 -0.0048 -0.0266 59 GLU B CG 2025 C CD . GLU B 61 ? 0.5704 0.4979 0.5050 -0.0529 -0.0080 -0.0411 59 GLU B CD 2026 O OE1 . GLU B 61 ? 0.6393 0.5570 0.5817 -0.0600 -0.0115 -0.0404 59 GLU B OE1 2027 O OE2 . GLU B 61 ? 0.5874 0.5184 0.5162 -0.0505 -0.0065 -0.0546 59 GLU B OE2 2028 N N . TYR B 62 ? 0.1988 0.1357 0.1529 -0.0542 0.0017 0.0070 60 TYR B N 2029 C CA . TYR B 62 ? 0.2338 0.1799 0.1956 -0.0619 0.0050 0.0109 60 TYR B CA 2030 C C . TYR B 62 ? 0.2195 0.1817 0.1871 -0.0553 0.0072 0.0148 60 TYR B C 2031 O O . TYR B 62 ? 0.2469 0.2288 0.2279 -0.0577 0.0072 0.0118 60 TYR B O 2032 C CB . TYR B 62 ? 0.2927 0.2191 0.2477 -0.0705 0.0079 0.0163 60 TYR B CB 2033 C CG . TYR B 62 ? 0.4057 0.3454 0.3655 -0.0824 0.0143 0.0189 60 TYR B CG 2034 C CD1 . TYR B 62 ? 0.4350 0.3956 0.4093 -0.0915 0.0157 0.0116 60 TYR B CD1 2035 C CD2 . TYR B 62 ? 0.5301 0.4647 0.4807 -0.0854 0.0191 0.0268 60 TYR B CD2 2036 C CE1 . TYR B 62 ? 0.5287 0.5077 0.5111 -0.1036 0.0236 0.0102 60 TYR B CE1 2037 C CE2 . TYR B 62 ? 0.6294 0.5822 0.5845 -0.0951 0.0263 0.0257 60 TYR B CE2 2038 C CZ . TYR B 62 ? 0.6503 0.6256 0.6217 -0.1056 0.0299 0.0170 60 TYR B CZ 2039 O OH . TYR B 62 ? 0.7382 0.7356 0.7167 -0.1141 0.0381 0.0125 60 TYR B OH 2040 N N . TRP B 63 ? 0.1657 0.1205 0.1267 -0.0465 0.0083 0.0194 61 TRP B N 2041 C CA . TRP B 63 ? 0.1764 0.1433 0.1435 -0.0405 0.0097 0.0222 61 TRP B CA 2042 C C . TRP B 63 ? 0.1770 0.1582 0.1525 -0.0358 0.0036 0.0202 61 TRP B C 2043 O O . TRP B 63 ? 0.1762 0.1716 0.1656 -0.0335 0.0020 0.0187 61 TRP B O 2044 C CB . TRP B 63 ? 0.1808 0.1371 0.1405 -0.0329 0.0111 0.0266 61 TRP B CB 2045 C CG . TRP B 63 ? 0.1974 0.1381 0.1487 -0.0360 0.0130 0.0302 61 TRP B CG 2046 C CD1 . TRP B 63 ? 0.1944 0.1303 0.1412 -0.0469 0.0153 0.0325 61 TRP B CD1 2047 C CD2 . TRP B 63 ? 0.1804 0.1074 0.1257 -0.0292 0.0112 0.0327 61 TRP B CD2 2048 N NE1 . TRP B 63 ? 0.2046 0.1215 0.1399 -0.0469 0.0131 0.0382 61 TRP B NE1 2049 C CE2 . TRP B 63 ? 0.2062 0.1170 0.1416 -0.0352 0.0098 0.0380 61 TRP B CE2 2050 C CE3 . TRP B 63 ? 0.1975 0.1253 0.1454 -0.0197 0.0103 0.0306 61 TRP B CE3 2051 C CZ2 . TRP B 63 ? 0.2286 0.1259 0.1604 -0.0285 0.0043 0.0403 61 TRP B CZ2 2052 C CZ3 . TRP B 63 ? 0.1864 0.1019 0.1323 -0.0142 0.0072 0.0313 61 TRP B CZ3 2053 C CH2 . TRP B 63 ? 0.2323 0.1301 0.1694 -0.0178 0.0028 0.0367 61 TRP B CH2 2054 N N . ASN B 64 ? 0.1539 0.1311 0.1209 -0.0348 -0.0011 0.0194 62 ASN B N 2055 C CA . ASN B 64 ? 0.1451 0.1311 0.1136 -0.0321 -0.0100 0.0203 62 ASN B CA 2056 C C . ASN B 64 ? 0.1539 0.1543 0.1378 -0.0353 -0.0168 0.0147 62 ASN B C 2057 O O . ASN B 64 ? 0.1861 0.1943 0.1771 -0.0311 -0.0276 0.0156 62 ASN B O 2058 C CB . ASN B 64 ? 0.1688 0.1485 0.1188 -0.0334 -0.0124 0.0205 62 ASN B CB 2059 C CG . ASN B 64 ? 0.1753 0.1481 0.1150 -0.0301 -0.0069 0.0247 62 ASN B CG 2060 O OD1 . ASN B 64 ? 0.1791 0.1511 0.1257 -0.0257 -0.0047 0.0293 62 ASN B OD1 2061 N ND2 . ASN B 64 ? 0.1858 0.1564 0.1106 -0.0330 -0.0042 0.0209 62 ASN B ND2 2062 N N . SER B 65 ? 0.1646 0.1679 0.1547 -0.0431 -0.0118 0.0089 63 SER B N 2063 C CA . SER B 65 ? 0.1716 0.1931 0.1807 -0.0480 -0.0165 0.0009 63 SER B CA 2064 C C . SER B 65 ? 0.1807 0.2205 0.2123 -0.0467 -0.0129 -0.0033 63 SER B C 2065 O O . SER B 65 ? 0.1946 0.2557 0.2489 -0.0491 -0.0168 -0.0128 63 SER B O 2066 C CB . SER B 65 ? 0.2073 0.2248 0.2145 -0.0602 -0.0120 -0.0044 63 SER B CB 2067 O OG . SER B 65 ? 0.2413 0.2539 0.2485 -0.0678 -0.0007 -0.0026 63 SER B OG 2068 N N . GLN B 66 ? 0.1642 0.1983 0.1913 -0.0430 -0.0057 0.0014 64 GLN B N 2069 C CA A GLN B 66 ? 0.1484 0.2012 0.1949 -0.0425 -0.0003 -0.0051 64 GLN B CA 2070 C CA B GLN B 66 ? 0.1505 0.2035 0.1972 -0.0425 -0.0005 -0.0052 64 GLN B CA 2071 C C . GLN B 66 ? 0.1382 0.1934 0.1951 -0.0289 -0.0086 -0.0045 64 GLN B C 2072 O O . GLN B 66 ? 0.1597 0.2006 0.2036 -0.0240 -0.0064 0.0030 64 GLN B O 2073 C CB A GLN B 66 ? 0.1547 0.1997 0.1872 -0.0503 0.0132 -0.0015 64 GLN B CB 2074 C CB B GLN B 66 ? 0.1669 0.2131 0.2005 -0.0507 0.0132 -0.0020 64 GLN B CB 2075 C CG A GLN B 66 ? 0.2053 0.2421 0.2264 -0.0655 0.0195 -0.0001 64 GLN B CG 2076 C CG B GLN B 66 ? 0.2104 0.2515 0.2351 -0.0665 0.0198 -0.0019 64 GLN B CG 2077 C CD A GLN B 66 ? 0.2162 0.2779 0.2581 -0.0767 0.0224 -0.0115 64 GLN B CD 2078 C CD B GLN B 66 ? 0.2420 0.2655 0.2451 -0.0741 0.0284 0.0065 64 GLN B CD 2079 O OE1 A GLN B 66 ? 0.2074 0.2929 0.2646 -0.0819 0.0303 -0.0202 64 GLN B OE1 2080 O OE1 B GLN B 66 ? 0.3374 0.3346 0.3217 -0.0720 0.0255 0.0150 64 GLN B OE1 2081 N NE2 A GLN B 66 ? 0.2184 0.2777 0.2626 -0.0811 0.0164 -0.0139 64 GLN B NE2 2082 N NE2 B GLN B 66 ? 0.1642 0.2028 0.1699 -0.0829 0.0381 0.0029 64 GLN B NE2 2083 N N . LYS B 67 ? 0.1498 0.2222 0.2323 -0.0228 -0.0196 -0.0130 65 LYS B N 2084 C CA . LYS B 67 ? 0.1732 0.2421 0.2667 -0.0096 -0.0317 -0.0115 65 LYS B CA 2085 C C . LYS B 67 ? 0.1529 0.2257 0.2538 -0.0058 -0.0231 -0.0155 65 LYS B C 2086 O O . LYS B 67 ? 0.1429 0.2013 0.2401 0.0024 -0.0291 -0.0091 65 LYS B O 2087 C CB . LYS B 67 ? 0.1986 0.2840 0.3224 -0.0020 -0.0489 -0.0213 65 LYS B CB 2088 C CG . LYS B 67 ? 0.2400 0.3593 0.3972 -0.0057 -0.0425 -0.0411 65 LYS B CG 2089 C CD . LYS B 67 ? 0.2807 0.4165 0.4720 0.0042 -0.0632 -0.0522 65 LYS B CD 2090 C CE . LYS B 67 ? 0.2737 0.4489 0.5021 -0.0009 -0.0555 -0.0753 65 LYS B CE 2091 N NZ . LYS B 67 ? 0.3342 0.5129 0.5841 0.0117 -0.0729 -0.0833 65 LYS B NZ 2092 N N . ASP B 68 ? 0.1185 0.2102 0.2275 -0.0137 -0.0086 -0.0261 66 ASP B N 2093 C CA . ASP B 68 ? 0.1309 0.2282 0.2423 -0.0123 0.0010 -0.0312 66 ASP B CA 2094 C C . ASP B 68 ? 0.1739 0.2451 0.2548 -0.0125 0.0052 -0.0165 66 ASP B C 2095 O O . ASP B 68 ? 0.1398 0.2064 0.2231 -0.0053 0.0040 -0.0169 66 ASP B O 2096 C CB . ASP B 68 ? 0.1555 0.2783 0.2734 -0.0253 0.0172 -0.0440 66 ASP B CB 2097 C CG . ASP B 68 ? 0.2155 0.3298 0.3097 -0.0412 0.0257 -0.0353 66 ASP B CG 2098 O OD1 . ASP B 68 ? 0.2352 0.3522 0.3363 -0.0441 0.0200 -0.0360 66 ASP B OD1 2099 O OD2 . ASP B 68 ? 0.2325 0.3356 0.3014 -0.0508 0.0363 -0.0279 66 ASP B OD2 2100 N N . ILE B 69 ? 0.1441 0.1992 0.1996 -0.0204 0.0095 -0.0056 67 ILE B N 2101 C CA . ILE B 69 ? 0.1162 0.1487 0.1478 -0.0192 0.0116 0.0060 67 ILE B CA 2102 C C . ILE B 69 ? 0.1163 0.1362 0.1476 -0.0095 0.0014 0.0126 67 ILE B C 2103 O O . ILE B 69 ? 0.1330 0.1456 0.1614 -0.0048 0.0017 0.0154 67 ILE B O 2104 C CB . ILE B 69 ? 0.1550 0.1722 0.1650 -0.0274 0.0152 0.0136 67 ILE B CB 2105 C CG1 . ILE B 69 ? 0.1963 0.2192 0.2006 -0.0401 0.0249 0.0110 67 ILE B CG1 2106 C CG2 . ILE B 69 ? 0.1434 0.1402 0.1358 -0.0231 0.0147 0.0224 67 ILE B CG2 2107 C CD1 . ILE B 69 ? 0.2069 0.2098 0.1920 -0.0484 0.0258 0.0185 67 ILE B CD1 2108 N N . LEU B 70 ? 0.1237 0.1413 0.1567 -0.0082 -0.0081 0.0151 68 LEU B N 2109 C CA . LEU B 70 ? 0.1171 0.1208 0.1435 -0.0032 -0.0180 0.0238 68 LEU B CA 2110 C C . LEU B 70 ? 0.1661 0.1698 0.2099 0.0051 -0.0253 0.0218 68 LEU B C 2111 O O . LEU B 70 ? 0.1529 0.1434 0.1886 0.0067 -0.0262 0.0289 68 LEU B O 2112 C CB . LEU B 70 ? 0.1775 0.1791 0.1992 -0.0048 -0.0289 0.0272 68 LEU B CB 2113 C CG . LEU B 70 ? 0.1964 0.1933 0.1979 -0.0126 -0.0233 0.0292 68 LEU B CG 2114 C CD1 . LEU B 70 ? 0.2514 0.2485 0.2475 -0.0145 -0.0356 0.0309 68 LEU B CD1 2115 C CD2 . LEU B 70 ? 0.2214 0.2050 0.2030 -0.0143 -0.0158 0.0353 68 LEU B CD2 2116 N N . GLU B 71 ? 0.1217 0.1414 0.1923 0.0102 -0.0306 0.0103 69 GLU B N 2117 C CA . GLU B 71 ? 0.1315 0.1497 0.2228 0.0197 -0.0396 0.0056 69 GLU B CA 2118 C C . GLU B 71 ? 0.1515 0.1711 0.2419 0.0199 -0.0283 0.0012 69 GLU B C 2119 O O . GLU B 71 ? 0.1384 0.1468 0.2346 0.0253 -0.0344 0.0027 69 GLU B O 2120 C CB . GLU B 71 ? 0.1144 0.1520 0.2408 0.0272 -0.0495 -0.0099 69 GLU B CB 2121 C CG . GLU B 71 ? 0.1505 0.1836 0.2797 0.0292 -0.0669 -0.0047 69 GLU B CG 2122 C CD . GLU B 71 ? 0.2179 0.2206 0.3283 0.0309 -0.0830 0.0138 69 GLU B CD 2123 O OE1 . GLU B 71 ? 0.1987 0.1859 0.3097 0.0345 -0.0864 0.0183 69 GLU B OE1 2124 O OE2 . GLU B 71 ? 0.2095 0.2039 0.3029 0.0269 -0.0923 0.0238 69 GLU B OE2 2125 N N . ASP B 72 ? 0.1267 0.1580 0.2081 0.0130 -0.0132 -0.0036 70 ASP B N 2126 C CA . ASP B 72 ? 0.0930 0.1247 0.1675 0.0120 -0.0038 -0.0063 70 ASP B CA 2127 C C . ASP B 72 ? 0.1427 0.1526 0.1984 0.0121 -0.0052 0.0071 70 ASP B C 2128 O O . ASP B 72 ? 0.1547 0.1597 0.2145 0.0158 -0.0065 0.0056 70 ASP B O 2129 C CB . ASP B 72 ? 0.1346 0.1778 0.1958 0.0020 0.0099 -0.0096 70 ASP B CB 2130 C CG . ASP B 72 ? 0.1997 0.2422 0.2486 -0.0001 0.0173 -0.0111 70 ASP B CG 2131 O OD1 . ASP B 72 ? 0.1710 0.2267 0.2347 0.0035 0.0185 -0.0239 70 ASP B OD1 2132 O OD2 . ASP B 72 ? 0.2369 0.2659 0.2621 -0.0050 0.0208 -0.0008 70 ASP B OD2 2133 N N . GLU B 73 ? 0.1175 0.1166 0.1548 0.0076 -0.0048 0.0179 71 GLU B N 2134 C CA . GLU B 73 ? 0.1220 0.1062 0.1444 0.0064 -0.0043 0.0274 71 GLU B CA 2135 C C . GLU B 73 ? 0.1422 0.1152 0.1695 0.0086 -0.0144 0.0336 71 GLU B C 2136 O O . GLU B 73 ? 0.1374 0.1027 0.1630 0.0082 -0.0139 0.0367 71 GLU B O 2137 C CB . GLU B 73 ? 0.1512 0.1301 0.1553 0.0009 -0.0003 0.0332 71 GLU B CB 2138 C CG . GLU B 73 ? 0.1410 0.1236 0.1379 -0.0027 0.0070 0.0299 71 GLU B CG 2139 C CD . GLU B 73 ? 0.2255 0.2054 0.2170 -0.0018 0.0115 0.0291 71 GLU B CD 2140 O OE1 . GLU B 73 ? 0.2312 0.2143 0.2174 -0.0057 0.0155 0.0268 71 GLU B OE1 2141 O OE2 . GLU B 73 ? 0.2461 0.2210 0.2375 0.0013 0.0106 0.0309 71 GLU B OE2 2142 N N . ARG B 74 ? 0.1434 0.1144 0.1766 0.0100 -0.0250 0.0358 72 ARG B N 2143 C CA . ARG B 74 ? 0.1370 0.0917 0.1706 0.0104 -0.0381 0.0449 72 ARG B CA 2144 C C . ARG B 74 ? 0.1703 0.1201 0.2244 0.0168 -0.0443 0.0398 72 ARG B C 2145 O O . ARG B 74 ? 0.1587 0.0945 0.2071 0.0135 -0.0496 0.0461 72 ARG B O 2146 C CB . ARG B 74 ? 0.1681 0.1205 0.2045 0.0120 -0.0524 0.0482 72 ARG B CB 2147 C CG . ARG B 74 ? 0.1734 0.1260 0.1857 0.0040 -0.0490 0.0547 72 ARG B CG 2148 C CD . ARG B 74 ? 0.1898 0.1465 0.2088 0.0065 -0.0626 0.0534 72 ARG B CD 2149 N NE . ARG B 74 ? 0.1942 0.1517 0.1893 -0.0017 -0.0593 0.0578 72 ARG B NE 2150 C CZ . ARG B 74 ? 0.2123 0.1743 0.2074 -0.0020 -0.0700 0.0569 72 ARG B CZ 2151 N NH1 . ARG B 74 ? 0.1889 0.1564 0.2095 0.0065 -0.0853 0.0514 72 ARG B NH1 2152 N NH2 . ARG B 74 ? 0.2382 0.2009 0.2104 -0.0101 -0.0661 0.0591 72 ARG B NH2 2153 N N . ALA B 75 ? 0.1231 0.0890 0.1970 0.0233 -0.0401 0.0245 73 ALA B N 2154 C CA . ALA B 75 ? 0.1326 0.0963 0.2286 0.0301 -0.0458 0.0153 73 ALA B CA 2155 C C . ALA B 75 ? 0.1329 0.0967 0.2221 0.0273 -0.0354 0.0133 73 ALA B C 2156 O O . ALA B 75 ? 0.1435 0.1038 0.2487 0.0316 -0.0398 0.0058 73 ALA B O 2157 C CB . ALA B 75 ? 0.1380 0.1232 0.2620 0.0383 -0.0469 -0.0042 73 ALA B CB 2158 N N . ALA B 76 ? 0.1218 0.0892 0.1893 0.0207 -0.0235 0.0188 74 ALA B N 2159 C CA . ALA B 76 ? 0.1477 0.1186 0.2097 0.0192 -0.0151 0.0153 74 ALA B CA 2160 C C . ALA B 76 ? 0.1395 0.0968 0.2055 0.0174 -0.0196 0.0196 74 ALA B C 2161 O O . ALA B 76 ? 0.1420 0.1032 0.2151 0.0191 -0.0176 0.0114 74 ALA B O 2162 C CB . ALA B 76 ? 0.1302 0.1046 0.1712 0.0142 -0.0055 0.0204 74 ALA B CB 2163 N N . VAL B 77 ? 0.1402 0.0818 0.2002 0.0121 -0.0257 0.0323 75 VAL B N 2164 C CA . VAL B 77 ? 0.1539 0.0829 0.2157 0.0066 -0.0290 0.0367 75 VAL B CA 2165 C C . VAL B 77 ? 0.1695 0.0965 0.2531 0.0130 -0.0369 0.0255 75 VAL B C 2166 O O . VAL B 77 ? 0.1781 0.1010 0.2684 0.0104 -0.0368 0.0228 75 VAL B O 2167 C CB . VAL B 77 ? 0.2310 0.1485 0.2758 -0.0026 -0.0330 0.0491 75 VAL B CB 2168 C CG1 . VAL B 77 ? 0.2436 0.1660 0.2673 -0.0113 -0.0223 0.0558 75 VAL B CG1 2169 C CG2 . VAL B 77 ? 0.2448 0.1581 0.2916 0.0018 -0.0443 0.0503 75 VAL B CG2 2170 N N . ASP B 78 ? 0.1432 0.0752 0.2401 0.0209 -0.0436 0.0170 76 ASP B N 2171 C CA . ASP B 78 ? 0.1706 0.1046 0.2900 0.0271 -0.0508 0.0028 76 ASP B CA 2172 C C . ASP B 78 ? 0.1769 0.1309 0.3082 0.0337 -0.0428 -0.0159 76 ASP B C 2173 O O . ASP B 78 ? 0.1927 0.1488 0.3328 0.0344 -0.0425 -0.0259 76 ASP B O 2174 C CB . ASP B 78 ? 0.1840 0.1161 0.3149 0.0317 -0.0628 0.0002 76 ASP B CB 2175 C CG . ASP B 78 ? 0.2622 0.1729 0.3823 0.0252 -0.0740 0.0162 76 ASP B CG 2176 O OD1 . ASP B 78 ? 0.2675 0.1657 0.3779 0.0175 -0.0732 0.0252 76 ASP B OD1 2177 O OD2 . ASP B 78 ? 0.2923 0.1994 0.4139 0.0274 -0.0839 0.0190 76 ASP B OD2 2178 N N . THR B 79 ? 0.1422 0.1126 0.2727 0.0374 -0.0360 -0.0215 77 THR B N 2179 C CA . THR B 79 ? 0.1229 0.1173 0.2606 0.0409 -0.0271 -0.0408 77 THR B CA 2180 C C . THR B 79 ? 0.1245 0.1246 0.2397 0.0347 -0.0164 -0.0388 77 THR B C 2181 O O . THR B 79 ? 0.1511 0.1677 0.2661 0.0349 -0.0106 -0.0533 77 THR B O 2182 C CB . THR B 79 ? 0.1070 0.1210 0.2446 0.0409 -0.0210 -0.0463 77 THR B CB 2183 O OG1 . THR B 79 ? 0.1612 0.1712 0.2718 0.0332 -0.0145 -0.0297 77 THR B OG1 2184 C CG2 . THR B 79 ? 0.1165 0.1277 0.2745 0.0461 -0.0333 -0.0495 77 THR B CG2 2185 N N . TYR B 80 ? 0.1077 0.0956 0.2045 0.0291 -0.0148 -0.0220 78 TYR B N 2186 C CA . TYR B 80 ? 0.1197 0.1117 0.1982 0.0250 -0.0080 -0.0196 78 TYR B CA 2187 C C . TYR B 80 ? 0.1547 0.1356 0.2376 0.0230 -0.0118 -0.0156 78 TYR B C 2188 O O . TYR B 80 ? 0.1580 0.1438 0.2461 0.0240 -0.0128 -0.0253 78 TYR B O 2189 C CB . TYR B 80 ? 0.1306 0.1220 0.1881 0.0208 -0.0024 -0.0076 78 TYR B CB 2190 C CG . TYR B 80 ? 0.1195 0.1111 0.1603 0.0184 0.0009 -0.0038 78 TYR B CG 2191 C CD1 . TYR B 80 ? 0.1280 0.1283 0.1590 0.0181 0.0024 -0.0110 78 TYR B CD1 2192 C CD2 . TYR B 80 ? 0.1350 0.1189 0.1695 0.0162 0.0014 0.0061 78 TYR B CD2 2193 C CE1 . TYR B 80 ? 0.1212 0.1185 0.1374 0.0173 0.0011 -0.0065 78 TYR B CE1 2194 C CE2 . TYR B 80 ? 0.1308 0.1154 0.1557 0.0164 0.0018 0.0072 78 TYR B CE2 2195 C CZ . TYR B 80 ? 0.1548 0.1442 0.1710 0.0177 0.0000 0.0018 78 TYR B CZ 2196 O OH . TYR B 80 ? 0.1532 0.1400 0.1606 0.0193 -0.0038 0.0038 78 TYR B OH 2197 N N . CYS B 81 ? 0.1327 0.1005 0.2133 0.0185 -0.0137 -0.0023 79 CYS B N 2198 C CA . CYS B 81 ? 0.1506 0.1107 0.2350 0.0128 -0.0148 0.0019 79 CYS B CA 2199 C C . CYS B 81 ? 0.1387 0.0898 0.2433 0.0135 -0.0229 -0.0055 79 CYS B C 2200 O O . CYS B 81 ? 0.1468 0.1031 0.2587 0.0131 -0.0228 -0.0142 79 CYS B O 2201 C CB . CYS B 81 ? 0.1171 0.0672 0.1914 0.0046 -0.0132 0.0170 79 CYS B CB 2202 S SG . CYS B 81 ? 0.1699 0.1297 0.2238 0.0038 -0.0043 0.0224 79 CYS B SG 2203 N N . ARG B 82 ? 0.1461 0.0826 0.2614 0.0152 -0.0318 -0.0028 80 ARG B N 2204 C CA . ARG B 82 ? 0.1707 0.0986 0.3034 0.0153 -0.0408 -0.0097 80 ARG B CA 2205 C C . ARG B 82 ? 0.1826 0.1257 0.3294 0.0233 -0.0405 -0.0311 80 ARG B C 2206 O O . ARG B 82 ? 0.1687 0.1107 0.3272 0.0219 -0.0439 -0.0395 80 ARG B O 2207 C CB . ARG B 82 ? 0.2125 0.1284 0.3473 0.0154 -0.0513 -0.0029 80 ARG B CB 2208 C CG . ARG B 82 ? 0.2363 0.1356 0.3535 0.0040 -0.0527 0.0171 80 ARG B CG 2209 C CD . ARG B 82 ? 0.2595 0.1447 0.3772 0.0045 -0.0657 0.0237 80 ARG B CD 2210 N NE . ARG B 82 ? 0.2722 0.1409 0.3696 -0.0084 -0.0666 0.0415 80 ARG B NE 2211 C CZ . ARG B 82 ? 0.2873 0.1549 0.3622 -0.0140 -0.0631 0.0535 80 ARG B CZ 2212 N NH1 . ARG B 82 ? 0.3066 0.1614 0.3621 -0.0272 -0.0624 0.0673 80 ARG B NH1 2213 N NH2 . ARG B 82 ? 0.2604 0.1404 0.3318 -0.0073 -0.0598 0.0507 80 ARG B NH2 2214 N N . HIS B 83 ? 0.1560 0.1155 0.3000 0.0302 -0.0356 -0.0406 81 HIS B N 2215 C CA . HIS B 83 ? 0.1507 0.1291 0.3016 0.0351 -0.0329 -0.0618 81 HIS B CA 2216 C C . HIS B 83 ? 0.1598 0.1449 0.3018 0.0323 -0.0287 -0.0661 81 HIS B C 2217 O O . HIS B 83 ? 0.1556 0.1436 0.3098 0.0334 -0.0325 -0.0805 81 HIS B O 2218 C CB . HIS B 83 ? 0.1363 0.1345 0.2810 0.0390 -0.0252 -0.0702 81 HIS B CB 2219 C CG . HIS B 83 ? 0.1895 0.2102 0.3343 0.0402 -0.0198 -0.0916 81 HIS B CG 2220 N ND1 . HIS B 83 ? 0.1835 0.2158 0.3458 0.0421 -0.0232 -0.1083 81 HIS B ND1 2221 C CD2 . HIS B 83 ? 0.1699 0.2040 0.2935 0.0363 -0.0127 -0.0959 81 HIS B CD2 2222 C CE1 . HIS B 83 ? 0.2103 0.2639 0.3652 0.0404 -0.0163 -0.1248 81 HIS B CE1 2223 N NE2 . HIS B 83 ? 0.1834 0.2374 0.3139 0.0376 -0.0100 -0.1190 81 HIS B NE2 2224 N N . ASN B 84 ? 0.1509 0.1401 0.2701 0.0279 -0.0222 -0.0535 82 ASN B N 2225 C CA . ASN B 84 ? 0.1471 0.1443 0.2560 0.0255 -0.0208 -0.0559 82 ASN B CA 2226 C C . ASN B 84 ? 0.1618 0.1507 0.2864 0.0216 -0.0260 -0.0562 82 ASN B C 2227 O O . ASN B 84 ? 0.1631 0.1602 0.2910 0.0217 -0.0289 -0.0672 82 ASN B O 2228 C CB . ASN B 84 ? 0.1175 0.1180 0.2031 0.0233 -0.0157 -0.0430 82 ASN B CB 2229 C CG . ASN B 84 ? 0.1631 0.1740 0.2297 0.0242 -0.0109 -0.0453 82 ASN B CG 2230 O OD1 . ASN B 84 ? 0.1873 0.2090 0.2559 0.0254 -0.0098 -0.0594 82 ASN B OD1 2231 N ND2 . ASN B 84 ? 0.1466 0.1549 0.1950 0.0223 -0.0075 -0.0329 82 ASN B ND2 2232 N N . TYR B 85 ? 0.1477 0.1206 0.2803 0.0165 -0.0275 -0.0441 83 TYR B N 2233 C CA . TYR B 85 ? 0.1662 0.1302 0.3137 0.0089 -0.0311 -0.0432 83 TYR B CA 2234 C C . TYR B 85 ? 0.1930 0.1533 0.3610 0.0120 -0.0392 -0.0603 83 TYR B C 2235 O O . TYR B 85 ? 0.1781 0.1430 0.3563 0.0087 -0.0416 -0.0693 83 TYR B O 2236 C CB . TYR B 85 ? 0.1598 0.1041 0.3076 0.0002 -0.0318 -0.0261 83 TYR B CB 2237 C CG . TYR B 85 ? 0.1889 0.1245 0.3473 -0.0129 -0.0326 -0.0218 83 TYR B CG 2238 C CD1 . TYR B 85 ? 0.1980 0.1437 0.3492 -0.0226 -0.0237 -0.0144 83 TYR B CD1 2239 C CD2 . TYR B 85 ? 0.2439 0.1659 0.4173 -0.0157 -0.0410 -0.0257 83 TYR B CD2 2240 C CE1 . TYR B 85 ? 0.2022 0.1443 0.3642 -0.0376 -0.0221 -0.0118 83 TYR B CE1 2241 C CE2 . TYR B 85 ? 0.2317 0.1480 0.4095 -0.0293 -0.0400 -0.0204 83 TYR B CE2 2242 C CZ . TYR B 85 ? 0.2100 0.1359 0.3831 -0.0417 -0.0302 -0.0137 83 TYR B CZ 2243 O OH . TYR B 85 ? 0.2787 0.2025 0.4549 -0.0574 -0.0270 -0.0100 83 TYR B OH 2244 N N . GLY B 86 ? 0.1911 0.1476 0.3658 0.0185 -0.0434 -0.0658 84 GLY B N 2245 C CA . GLY B 86 ? 0.1981 0.1591 0.3896 0.0219 -0.0500 -0.0810 84 GLY B CA 2246 C C . GLY B 86 ? 0.1874 0.1693 0.3765 0.0256 -0.0476 -0.1007 84 GLY B C 2247 O O . GLY B 86 ? 0.2099 0.1959 0.4123 0.0251 -0.0523 -0.1124 84 GLY B O 2248 N N . VAL B 87 ? 0.1768 0.1717 0.3463 0.0287 -0.0405 -0.1036 85 VAL B N 2249 C CA . VAL B 87 ? 0.1523 0.1672 0.3102 0.0306 -0.0389 -0.1207 85 VAL B CA 2250 C C . VAL B 87 ? 0.1533 0.1708 0.3088 0.0261 -0.0427 -0.1194 85 VAL B C 2251 O O . VAL B 87 ? 0.1722 0.1997 0.3316 0.0264 -0.0474 -0.1365 85 VAL B O 2252 C CB . VAL B 87 ? 0.1857 0.2153 0.3140 0.0310 -0.0303 -0.1155 85 VAL B CB 2253 C CG1 . VAL B 87 ? 0.2140 0.2615 0.3207 0.0292 -0.0302 -0.1267 85 VAL B CG1 2254 C CG2 . VAL B 87 ? 0.2113 0.2457 0.3466 0.0350 -0.0259 -0.1228 85 VAL B CG2 2255 N N . VAL B 88 ? 0.1491 0.1599 0.3007 0.0217 -0.0411 -0.1013 86 VAL B N 2256 C CA . VAL B 88 ? 0.1442 0.1633 0.2953 0.0187 -0.0445 -0.1017 86 VAL B CA 2257 C C . VAL B 88 ? 0.1623 0.1739 0.3394 0.0111 -0.0477 -0.1017 86 VAL B C 2258 O O . VAL B 88 ? 0.1483 0.1709 0.3324 0.0087 -0.0516 -0.1076 86 VAL B O 2259 C CB . VAL B 88 ? 0.1683 0.1924 0.2990 0.0195 -0.0410 -0.0869 86 VAL B CB 2260 C CG1 . VAL B 88 ? 0.1914 0.2204 0.2941 0.0237 -0.0381 -0.0850 86 VAL B CG1 2261 C CG2 . VAL B 88 ? 0.1399 0.1533 0.2763 0.0149 -0.0348 -0.0707 86 VAL B CG2 2262 N N . GLU B 89 ? 0.1983 0.1908 0.3895 0.0062 -0.0471 -0.0951 87 GLU B N 2263 C CA . GLU B 89 ? 0.1645 0.1472 0.3748 -0.0058 -0.0480 -0.0899 87 GLU B CA 2264 C C . GLU B 89 ? 0.2085 0.2002 0.4337 -0.0076 -0.0528 -0.1030 87 GLU B C 2265 O O . GLU B 89 ? 0.1842 0.1807 0.4196 -0.0168 -0.0508 -0.1005 87 GLU B O 2266 C CB . GLU B 89 ? 0.2221 0.1813 0.4340 -0.0103 -0.0479 -0.0749 87 GLU B CB 2267 C CG . GLU B 89 ? 0.2789 0.2307 0.4980 -0.0021 -0.0550 -0.0826 87 GLU B CG 2268 C CD . GLU B 89 ? 0.4087 0.3558 0.6454 -0.0060 -0.0610 -0.0902 87 GLU B CD 2269 O OE1 . GLU B 89 ? 0.4430 0.3921 0.6902 0.0021 -0.0671 -0.1034 87 GLU B OE1 2270 O OE2 . GLU B 89 ? 0.4392 0.3822 0.6801 -0.0179 -0.0590 -0.0840 87 GLU B OE2 2271 N N . SER B 90 ? 0.1780 0.1747 0.4049 0.0007 -0.0579 -0.1178 88 SER B N 2272 C CA . SER B 90 ? 0.2080 0.2112 0.4495 -0.0006 -0.0630 -0.1308 88 SER B CA 2273 C C . SER B 90 ? 0.2155 0.2390 0.4558 -0.0014 -0.0647 -0.1381 88 SER B C 2274 O O . SER B 90 ? 0.1974 0.2250 0.4528 -0.0062 -0.0673 -0.1443 88 SER B O 2275 C CB . SER B 90 ? 0.2087 0.2168 0.4524 0.0084 -0.0673 -0.1468 88 SER B CB 2276 O OG . SER B 90 ? 0.2349 0.2629 0.4596 0.0151 -0.0671 -0.1578 88 SER B OG 2277 N N . PHE B 91 ? 0.2016 0.2373 0.4241 0.0035 -0.0647 -0.1372 89 PHE B N 2278 C CA . PHE B 91 ? 0.2162 0.2708 0.4362 0.0054 -0.0700 -0.1428 89 PHE B CA 2279 C C . PHE B 91 ? 0.1838 0.2448 0.4057 0.0026 -0.0668 -0.1316 89 PHE B C 2280 O O . PHE B 91 ? 0.1584 0.2347 0.3789 0.0069 -0.0723 -0.1348 89 PHE B O 2281 C CB . PHE B 91 ? 0.1799 0.2459 0.3750 0.0142 -0.0769 -0.1521 89 PHE B CB 2282 C CG . PHE B 91 ? 0.1730 0.2356 0.3424 0.0180 -0.0742 -0.1458 89 PHE B CG 2283 C CD1 . PHE B 91 ? 0.1958 0.2617 0.3467 0.0212 -0.0747 -0.1327 89 PHE B CD1 2284 C CD2 . PHE B 91 ? 0.2023 0.2586 0.3646 0.0198 -0.0688 -0.1502 89 PHE B CD2 2285 C CE1 . PHE B 91 ? 0.2349 0.2953 0.3576 0.0243 -0.0687 -0.1214 89 PHE B CE1 2286 C CE2 . PHE B 91 ? 0.2168 0.2719 0.3540 0.0227 -0.0630 -0.1425 89 PHE B CE2 2287 C CZ . PHE B 91 ? 0.2281 0.2843 0.3435 0.0242 -0.0621 -0.1261 89 PHE B CZ 2288 N N . THR B 92 ? 0.1553 0.1747 0.3939 -0.0243 -0.0280 -0.0456 90 THR B N 2289 C CA . THR B 92 ? 0.1652 0.1817 0.3804 -0.0248 -0.0366 -0.0393 90 THR B CA 2290 C C . THR B 92 ? 0.1599 0.1815 0.3797 -0.0203 -0.0465 -0.0289 90 THR B C 2291 O O . THR B 92 ? 0.1228 0.1380 0.3261 -0.0180 -0.0478 -0.0265 90 THR B O 2292 C CB . THR B 92 ? 0.1296 0.1513 0.3467 -0.0299 -0.0390 -0.0407 90 THR B CB 2293 O OG1 . THR B 92 ? 0.1306 0.1673 0.3777 -0.0292 -0.0438 -0.0380 90 THR B OG1 2294 C CG2 . THR B 92 ? 0.1508 0.1651 0.3612 -0.0345 -0.0275 -0.0486 90 THR B CG2 2295 N N . VAL B 93 ? 0.1223 0.1575 0.3656 -0.0187 -0.0532 -0.0218 91 VAL B N 2296 C CA . VAL B 93 ? 0.1222 0.1665 0.3738 -0.0136 -0.0621 -0.0080 91 VAL B CA 2297 C C . VAL B 93 ? 0.1497 0.1847 0.4107 -0.0087 -0.0563 -0.0054 91 VAL B C 2298 O O . VAL B 93 ? 0.1535 0.1869 0.4044 -0.0059 -0.0603 0.0027 91 VAL B O 2299 C CB . VAL B 93 ? 0.1229 0.1868 0.4060 -0.0111 -0.0684 0.0012 91 VAL B CB 2300 C CG1 . VAL B 93 ? 0.1339 0.2064 0.4244 -0.0041 -0.0749 0.0197 91 VAL B CG1 2301 C CG2 . VAL B 93 ? 0.1267 0.2037 0.3998 -0.0169 -0.0746 -0.0030 91 VAL B CG2 2302 N N . GLN B 94 ? 0.1179 0.1480 0.3994 -0.0086 -0.0457 -0.0145 92 GLN B N 2303 C CA . GLN B 94 ? 0.1169 0.1402 0.4140 -0.0055 -0.0379 -0.0163 92 GLN B CA 2304 C C . GLN B 94 ? 0.1687 0.1823 0.4391 -0.0084 -0.0318 -0.0287 92 GLN B C 2305 O O . GLN B 94 ? 0.1533 0.1634 0.4352 -0.0074 -0.0248 -0.0339 92 GLN B O 2306 C CB . GLN B 94 ? 0.1240 0.1487 0.4593 -0.0042 -0.0277 -0.0222 92 GLN B CB 2307 C CG . GLN B 94 ? 0.2197 0.2504 0.5784 0.0007 -0.0323 -0.0070 92 GLN B CG 2308 C CD . GLN B 94 ? 0.3745 0.3989 0.7650 0.0019 -0.0204 -0.0126 92 GLN B CD 2309 O OE1 . GLN B 94 ? 0.4715 0.4867 0.8685 0.0001 -0.0082 -0.0279 92 GLN B OE1 2310 N NE2 . GLN B 94 ? 0.3968 0.4277 0.8064 0.0044 -0.0238 -0.0013 92 GLN B NE2 2311 N N . ARG B 95 ? 0.1488 0.1596 0.3866 -0.0120 -0.0338 -0.0333 93 ARG B N 2312 C CA . ARG B 95 ? 0.1315 0.1370 0.3443 -0.0136 -0.0290 -0.0424 93 ARG B CA 2313 C C . ARG B 95 ? 0.1435 0.1449 0.3450 -0.0108 -0.0328 -0.0376 93 ARG B C 2314 O O . ARG B 95 ? 0.1343 0.1344 0.3242 -0.0093 -0.0414 -0.0271 93 ARG B O 2315 C CB . ARG B 95 ? 0.1222 0.1247 0.3063 -0.0166 -0.0298 -0.0439 93 ARG B CB 2316 C CG . ARG B 95 ? 0.1325 0.1329 0.2911 -0.0167 -0.0255 -0.0496 93 ARG B CG 2317 C CD . ARG B 95 ? 0.1314 0.1278 0.2684 -0.0186 -0.0243 -0.0475 93 ARG B CD 2318 N NE . ARG B 95 ? 0.1359 0.1313 0.2481 -0.0167 -0.0221 -0.0474 93 ARG B NE 2319 C CZ . ARG B 95 ? 0.1518 0.1562 0.2571 -0.0170 -0.0150 -0.0533 93 ARG B CZ 2320 N NH1 . ARG B 95 ? 0.1405 0.1540 0.2617 -0.0203 -0.0081 -0.0620 93 ARG B NH1 2321 N NH2 . ARG B 95 ? 0.1834 0.1905 0.2666 -0.0141 -0.0146 -0.0506 93 ARG B NH2 2322 N N . ARG B 96 ? 0.1274 0.1291 0.3332 -0.0109 -0.0257 -0.0471 94 ARG B N 2323 C CA . ARG B 96 ? 0.1484 0.1469 0.3457 -0.0090 -0.0273 -0.0453 94 ARG B CA 2324 C C . ARG B 96 ? 0.1783 0.1815 0.3602 -0.0110 -0.0216 -0.0594 94 ARG B C 2325 O O . ARG B 96 ? 0.2060 0.2169 0.4035 -0.0137 -0.0126 -0.0731 94 ARG B O 2326 C CB . ARG B 96 ? 0.1733 0.1708 0.4049 -0.0067 -0.0232 -0.0420 94 ARG B CB 2327 C CG . ARG B 96 ? 0.2181 0.2160 0.4681 -0.0031 -0.0293 -0.0245 94 ARG B CG 2328 C CD . ARG B 96 ? 0.2220 0.2194 0.4489 -0.0013 -0.0399 -0.0100 94 ARG B CD 2329 N NE . ARG B 96 ? 0.2745 0.2788 0.5200 0.0024 -0.0460 0.0081 94 ARG B NE 2330 C CZ . ARG B 96 ? 0.3367 0.3503 0.5798 0.0019 -0.0536 0.0141 94 ARG B CZ 2331 N NH1 . ARG B 96 ? 0.3397 0.3527 0.5642 -0.0024 -0.0546 0.0032 94 ARG B NH1 2332 N NH2 . ARG B 96 ? 0.3471 0.3723 0.6078 0.0059 -0.0599 0.0316 94 ARG B NH2 2333 N N . VAL B 97 ? 0.1330 0.1342 0.2856 -0.0098 -0.0265 -0.0565 95 VAL B N 2334 C CA . VAL B 97 ? 0.1349 0.1449 0.2718 -0.0104 -0.0229 -0.0671 95 VAL B CA 2335 C C . VAL B 97 ? 0.1321 0.1391 0.2603 -0.0082 -0.0267 -0.0644 95 VAL B C 2336 O O . VAL B 97 ? 0.1505 0.1490 0.2638 -0.0060 -0.0335 -0.0534 95 VAL B O 2337 C CB . VAL B 97 ? 0.1252 0.1374 0.2351 -0.0100 -0.0241 -0.0642 95 VAL B CB 2338 C CG1 . VAL B 97 ? 0.1702 0.1977 0.2651 -0.0096 -0.0209 -0.0728 95 VAL B CG1 2339 C CG2 . VAL B 97 ? 0.1585 0.1716 0.2768 -0.0126 -0.0202 -0.0649 95 VAL B CG2 2340 N N A TYR B 98 ? 0.1180 0.1330 0.2580 -0.0095 -0.0213 -0.0760 96 TYR B N 2341 N N B TYR B 98 ? 0.1182 0.1340 0.2572 -0.0096 -0.0212 -0.0766 96 TYR B N 2342 C CA A TYR B 98 ? 0.1169 0.1290 0.2531 -0.0079 -0.0237 -0.0739 96 TYR B CA 2343 C CA B TYR B 98 ? 0.1172 0.1324 0.2518 -0.0083 -0.0228 -0.0769 96 TYR B CA 2344 C C A TYR B 98 ? 0.1192 0.1376 0.2262 -0.0057 -0.0279 -0.0745 96 TYR B C 2345 C C B TYR B 98 ? 0.1300 0.1470 0.2331 -0.0052 -0.0291 -0.0722 96 TYR B C 2346 O O A TYR B 98 ? 0.1218 0.1534 0.2169 -0.0058 -0.0265 -0.0809 96 TYR B O 2347 O O B TYR B 98 ? 0.1225 0.1469 0.2092 -0.0044 -0.0294 -0.0728 96 TYR B O 2348 C CB A TYR B 98 ? 0.1162 0.1327 0.2817 -0.0107 -0.0151 -0.0860 96 TYR B CB 2349 C CB B TYR B 98 ? 0.1174 0.1467 0.2693 -0.0119 -0.0144 -0.0957 96 TYR B CB 2350 C CG A TYR B 98 ? 0.1523 0.1886 0.3230 -0.0146 -0.0071 -0.1067 96 TYR B CG 2351 C CG B TYR B 98 ? 0.1295 0.1609 0.3157 -0.0148 -0.0039 -0.1042 96 TYR B CG 2352 C CD1 A TYR B 98 ? 0.1466 0.1901 0.3400 -0.0168 0.0031 -0.1155 96 TYR B CD1 2353 C CD1 B TYR B 98 ? 0.1175 0.1347 0.3281 -0.0129 -0.0024 -0.0925 96 TYR B CD1 2354 C CD2 A TYR B 98 ? 0.1193 0.1709 0.2704 -0.0146 -0.0090 -0.1149 96 TYR B CD2 2355 C CD2 B TYR B 98 ? 0.1483 0.1992 0.3410 -0.0180 0.0055 -0.1214 96 TYR B CD2 2356 C CE1 A TYR B 98 ? 0.1477 0.2140 0.3434 -0.0202 0.0116 -0.1336 96 TYR B CE1 2357 C CE1 B TYR B 98 ? 0.1579 0.1786 0.4007 -0.0130 0.0088 -0.0972 96 TYR B CE1 2358 C CE2 A TYR B 98 ? 0.1732 0.2491 0.3258 -0.0174 -0.0016 -0.1310 96 TYR B CE2 2359 C CE2 B TYR B 98 ? 0.1352 0.1895 0.3592 -0.0192 0.0173 -0.1285 96 TYR B CE2 2360 C CZ A TYR B 98 ? 0.1480 0.2317 0.3226 -0.0208 0.0089 -0.1411 96 TYR B CZ 2361 C CZ B TYR B 98 ? 0.1231 0.1614 0.3731 -0.0162 0.0191 -0.1163 96 TYR B CZ 2362 O OH A TYR B 98 ? 0.1314 0.2434 0.3084 -0.0247 0.0167 -0.1585 96 TYR B OH 2363 O OH B TYR B 98 ? 0.1265 0.1696 0.4115 -0.0163 0.0315 -0.1231 96 TYR B OH 2364 N N . PRO B 99 ? 0.1387 0.1492 0.2350 -0.0033 -0.0328 -0.0666 97 PRO B N 2365 C CA . PRO B 99 ? 0.1479 0.1627 0.2207 0.0000 -0.0367 -0.0652 97 PRO B CA 2366 C C . PRO B 99 ? 0.1679 0.2012 0.2426 -0.0004 -0.0336 -0.0788 97 PRO B C 2367 O O . PRO B 99 ? 0.1387 0.1764 0.2343 -0.0039 -0.0284 -0.0894 97 PRO B O 2368 C CB . PRO B 99 ? 0.1703 0.1723 0.2383 0.0011 -0.0408 -0.0559 97 PRO B CB 2369 C CG . PRO B 99 ? 0.1888 0.1865 0.2801 -0.0015 -0.0376 -0.0553 97 PRO B CG 2370 C CD . PRO B 99 ? 0.1530 0.1519 0.2607 -0.0033 -0.0343 -0.0575 97 PRO B CD 2371 N N . GLU B 100 ? 0.1244 0.1700 0.1800 0.0031 -0.0362 -0.0783 98 GLU B N 2372 C CA . GLU B 100 ? 0.1253 0.1927 0.1792 0.0039 -0.0358 -0.0892 98 GLU B CA 2373 C C . GLU B 100 ? 0.1515 0.2103 0.1969 0.0079 -0.0401 -0.0819 98 GLU B C 2374 O O . GLU B 100 ? 0.1784 0.2247 0.2098 0.0121 -0.0437 -0.0688 98 GLU B O 2375 C CB . GLU B 100 ? 0.3059 0.3964 0.3437 0.0069 -0.0369 -0.0894 98 GLU B CB 2376 C CG . GLU B 100 ? 0.4594 0.5608 0.5018 0.0026 -0.0320 -0.0963 98 GLU B CG 2377 C CD . GLU B 100 ? 0.6121 0.7374 0.6720 -0.0043 -0.0260 -0.1192 98 GLU B CD 2378 O OE1 . GLU B 100 ? 0.6612 0.8032 0.7219 -0.0036 -0.0253 -0.1258 98 GLU B OE1 2379 O OE2 . GLU B 100 ? 0.6816 0.8075 0.7569 -0.0099 -0.0195 -0.1286 98 GLU B OE2 2380 N N . VAL B 101 ? 0.1219 0.1875 0.1783 0.0060 -0.0384 -0.0917 99 VAL B N 2381 C CA . VAL B 101 ? 0.1216 0.1792 0.1722 0.0089 -0.0412 -0.0862 99 VAL B CA 2382 C C . VAL B 101 ? 0.1229 0.2048 0.1709 0.0116 -0.0427 -0.0951 99 VAL B C 2383 O O . VAL B 101 ? 0.1577 0.2578 0.2181 0.0081 -0.0374 -0.1078 99 VAL B O 2384 C CB . VAL B 101 ? 0.1490 0.1910 0.2155 0.0045 -0.0375 -0.0866 99 VAL B CB 2385 C CG1 . VAL B 101 ? 0.1805 0.2157 0.2396 0.0066 -0.0395 -0.0816 99 VAL B CG1 2386 C CG2 . VAL B 101 ? 0.1749 0.1985 0.2447 0.0027 -0.0375 -0.0761 99 VAL B CG2 2387 N N . THR B 102 ? 0.1262 0.2074 0.1601 0.0183 -0.0471 -0.0852 100 THR B N 2388 C CA . THR B 102 ? 0.1558 0.2616 0.1876 0.0228 -0.0498 -0.0901 100 THR B CA 2389 C C . THR B 102 ? 0.1546 0.2472 0.1858 0.0257 -0.0506 -0.0851 100 THR B C 2390 O O . THR B 102 ? 0.1835 0.2533 0.2072 0.0276 -0.0510 -0.0732 100 THR B O 2391 C CB . THR B 102 ? 0.1708 0.2935 0.1876 0.0307 -0.0538 -0.0797 100 THR B CB 2392 O OG1 . THR B 102 ? 0.2544 0.3907 0.2696 0.0274 -0.0523 -0.0842 100 THR B OG1 2393 C CG2 . THR B 102 ? 0.2247 0.3762 0.2408 0.0364 -0.0565 -0.0816 100 THR B CG2 2394 N N . VAL B 103 ? 0.1295 0.2380 0.1701 0.0250 -0.0501 -0.0961 101 VAL B N 2395 C CA . VAL B 103 ? 0.1267 0.2263 0.1676 0.0278 -0.0502 -0.0927 101 VAL B CA 2396 C C . VAL B 103 ? 0.1543 0.2814 0.1949 0.0356 -0.0544 -0.0939 101 VAL B C 2397 O O . VAL B 103 ? 0.1330 0.2853 0.1787 0.0346 -0.0525 -0.1023 101 VAL B O 2398 C CB . VAL B 103 ? 0.1299 0.2212 0.1853 0.0201 -0.0445 -0.1029 101 VAL B CB 2399 C CG1 . VAL B 103 ? 0.1610 0.2477 0.2165 0.0226 -0.0439 -0.1013 101 VAL B CG1 2400 C CG2 . VAL B 103 ? 0.1500 0.2159 0.2067 0.0142 -0.0409 -0.0971 101 VAL B CG2 2401 N N . TYR B 104 ? 0.1503 0.2687 0.1857 0.0430 -0.0558 -0.0820 102 TYR B N 2402 C CA . TYR B 104 ? 0.1556 0.2999 0.1944 0.0521 -0.0597 -0.0802 102 TYR B CA 2403 C C . TYR B 104 ? 0.1713 0.2987 0.2138 0.0566 -0.0575 -0.0738 102 TYR B C 2404 O O . TYR B 104 ? 0.1434 0.2409 0.1813 0.0546 -0.0537 -0.0671 102 TYR B O 2405 C CB . TYR B 104 ? 0.1464 0.3100 0.1760 0.0609 -0.0643 -0.0672 102 TYR B CB 2406 C CG . TYR B 104 ? 0.2100 0.3462 0.2307 0.0648 -0.0622 -0.0493 102 TYR B CG 2407 C CD1 . TYR B 104 ? 0.2404 0.3656 0.2642 0.0740 -0.0606 -0.0351 102 TYR B CD1 2408 C CD2 . TYR B 104 ? 0.2339 0.3558 0.2466 0.0590 -0.0604 -0.0479 102 TYR B CD2 2409 C CE1 . TYR B 104 ? 0.3038 0.4038 0.3237 0.0764 -0.0566 -0.0212 102 TYR B CE1 2410 C CE2 . TYR B 104 ? 0.2885 0.3870 0.2955 0.0616 -0.0577 -0.0335 102 TYR B CE2 2411 C CZ . TYR B 104 ? 0.3140 0.4014 0.3249 0.0699 -0.0554 -0.0208 102 TYR B CZ 2412 O OH . TYR B 104 ? 0.3658 0.4295 0.3749 0.0713 -0.0507 -0.0088 102 TYR B OH 2413 N N . PRO B 105 ? 0.1634 0.3123 0.2161 0.0621 -0.0593 -0.0777 103 PRO B N 2414 C CA . PRO B 105 ? 0.1794 0.3138 0.2391 0.0664 -0.0558 -0.0733 103 PRO B CA 2415 C C . PRO B 105 ? 0.2041 0.3353 0.2635 0.0786 -0.0565 -0.0545 103 PRO B C 2416 O O . PRO B 105 ? 0.2079 0.3575 0.2626 0.0857 -0.0611 -0.0437 103 PRO B O 2417 C CB . PRO B 105 ? 0.1448 0.3080 0.2186 0.0681 -0.0576 -0.0851 103 PRO B CB 2418 C CG . PRO B 105 ? 0.1619 0.3620 0.2336 0.0711 -0.0643 -0.0869 103 PRO B CG 2419 C CD . PRO B 105 ? 0.1415 0.3307 0.2016 0.0634 -0.0636 -0.0884 103 PRO B CD 2420 N N . ALA B 106 ? 0.1785 0.2871 0.2448 0.0807 -0.0505 -0.0506 104 ALA B N 2421 C CA . ALA B 106 ? 0.2112 0.3134 0.2844 0.0923 -0.0481 -0.0333 104 ALA B CA 2422 C C . ALA B 106 ? 0.1877 0.2791 0.2779 0.0953 -0.0414 -0.0360 104 ALA B C 2423 O O . ALA B 106 ? 0.2021 0.2905 0.2950 0.0875 -0.0389 -0.0512 104 ALA B O 2424 C CB . ALA B 106 ? 0.2355 0.3106 0.2990 0.0890 -0.0442 -0.0249 104 ALA B CB 2425 N N . LYS B 107 ? 0.1959 0.2816 0.2999 0.1067 -0.0371 -0.0210 105 LYS B N 2426 C CA . LYS B 107 ? 0.2430 0.3183 0.3681 0.1104 -0.0289 -0.0238 105 LYS B CA 2427 C C . LYS B 107 ? 0.2649 0.3097 0.3992 0.1119 -0.0183 -0.0156 105 LYS B C 2428 O O . LYS B 107 ? 0.3081 0.3499 0.4424 0.1189 -0.0180 0.0016 105 LYS B O 2429 C CB . LYS B 107 ? 0.3457 0.4519 0.4902 0.1253 -0.0330 -0.0149 105 LYS B CB 2430 C CG . LYS B 107 ? 0.4227 0.5528 0.5663 0.1389 -0.0399 0.0078 105 LYS B CG 2431 C CD . LYS B 107 ? 0.4592 0.6283 0.6142 0.1477 -0.0472 0.0132 105 LYS B CD 2432 C CE . LYS B 107 ? 0.4487 0.6426 0.5907 0.1372 -0.0550 -0.0072 105 LYS B CE 2433 N NZ . LYS B 107 ? 0.4682 0.6981 0.6155 0.1405 -0.0613 -0.0025 105 LYS B NZ 2434 N N . THR B 108 ? 0.2250 0.2485 0.3678 0.1040 -0.0084 -0.0294 106 THR B N 2435 C CA . THR B 108 ? 0.2696 0.2653 0.4253 0.1029 0.0039 -0.0276 106 THR B CA 2436 C C . THR B 108 ? 0.2706 0.2675 0.4560 0.1201 0.0101 -0.0084 106 THR B C 2437 O O . THR B 108 ? 0.3049 0.2858 0.4988 0.1241 0.0168 0.0044 106 THR B O 2438 C CB . THR B 108 ? 0.2709 0.2509 0.4310 0.0903 0.0138 -0.0494 106 THR B CB 2439 O OG1 . THR B 108 ? 0.2307 0.2097 0.3631 0.0753 0.0084 -0.0621 106 THR B OG1 2440 C CG2 . THR B 108 ? 0.3046 0.2591 0.4829 0.0881 0.0283 -0.0518 106 THR B CG2 2441 N N . GLN B 109 ? 0.2387 0.2554 0.4422 0.1307 0.0084 -0.0053 107 GLN B N 2442 C CA . GLN B 109 ? 0.2684 0.2920 0.4931 0.1463 0.0116 0.0157 107 GLN B CA 2443 C C . GLN B 109 ? 0.3284 0.3922 0.5496 0.1584 -0.0032 0.0283 107 GLN B C 2444 O O . GLN B 109 ? 0.3396 0.4251 0.5550 0.1555 -0.0111 0.0155 107 GLN B O 2445 C CB . GLN B 109 ? 0.3172 0.3276 0.5643 0.1444 0.0240 0.0063 107 GLN B CB 2446 C CG . GLN B 109 ? 0.3281 0.3054 0.5769 0.1289 0.0380 -0.0098 107 GLN B CG 2447 C CD . GLN B 109 ? 0.5294 0.4970 0.8013 0.1252 0.0508 -0.0202 107 GLN B CD 2448 O OE1 . GLN B 109 ? 0.6412 0.6163 0.9344 0.1368 0.0530 -0.0070 107 GLN B OE1 2449 N NE2 . GLN B 109 ? 0.5749 0.5284 0.8428 0.1082 0.0590 -0.0439 107 GLN B NE2 2450 N N . PRO B 110 ? 0.3712 0.4454 0.5941 0.1680 -0.0070 0.0510 108 PRO B N 2451 C CA . PRO B 110 ? 0.4028 0.5154 0.6151 0.1737 -0.0220 0.0629 108 PRO B CA 2452 C C . PRO B 110 ? 0.3872 0.5320 0.6099 0.1766 -0.0301 0.0546 108 PRO B C 2453 O O . PRO B 110 ? 0.4375 0.6137 0.6443 0.1736 -0.0415 0.0540 108 PRO B O 2454 C CB . PRO B 110 ? 0.4536 0.5645 0.6719 0.1827 -0.0189 0.0892 108 PRO B CB 2455 C CG . PRO B 110 ? 0.4595 0.5363 0.7014 0.1836 -0.0026 0.0888 108 PRO B CG 2456 C CD . PRO B 110 ? 0.4086 0.4586 0.6446 0.1711 0.0046 0.0662 108 PRO B CD 2457 N N . LEU B 111 ? 0.2833 0.4214 0.5301 0.1807 -0.0232 0.0466 109 LEU B N 2458 C CA . LEU B 111 ? 0.2629 0.4321 0.5241 0.1834 -0.0304 0.0396 109 LEU B CA 2459 C C . LEU B 111 ? 0.2396 0.4090 0.5041 0.1730 -0.0257 0.0165 109 LEU B C 2460 O O . LEU B 111 ? 0.2532 0.4448 0.5272 0.1727 -0.0268 0.0100 109 LEU B O 2461 C CB . LEU B 111 ? 0.3228 0.4920 0.6093 0.1958 -0.0255 0.0491 109 LEU B CB 2462 C CG . LEU B 111 ? 0.3747 0.5528 0.6613 0.2059 -0.0288 0.0782 109 LEU B CG 2463 C CD1 . LEU B 111 ? 0.3582 0.5368 0.6740 0.2180 -0.0227 0.0888 109 LEU B CD1 2464 C CD2 . LEU B 111 ? 0.3943 0.6123 0.6623 0.2050 -0.0443 0.0859 109 LEU B CD2 2465 N N . GLN B 112 ? 0.2294 0.3739 0.4743 0.1640 -0.0191 0.0037 110 GLN B N 2466 C CA . GLN B 112 ? 0.2411 0.3794 0.4756 0.1492 -0.0183 -0.0250 110 GLN B CA 2467 C C . GLN B 112 ? 0.2736 0.4396 0.4853 0.1421 -0.0312 -0.0338 110 GLN B C 2468 O O . GLN B 112 ? 0.2353 0.4176 0.4322 0.1449 -0.0399 -0.0211 110 GLN B O 2469 C CB . GLN B 112 ? 0.2139 0.3126 0.4364 0.1356 -0.0089 -0.0370 110 GLN B CB 2470 C CG . GLN B 112 ? 0.2290 0.2993 0.4733 0.1366 0.0070 -0.0365 110 GLN B CG 2471 C CD . GLN B 112 ? 0.2298 0.2664 0.4622 0.1230 0.0157 -0.0472 110 GLN B CD 2472 O OE1 . GLN B 112 ? 0.2317 0.2631 0.4382 0.1161 0.0095 -0.0453 110 GLN B OE1 2473 N NE2 . GLN B 112 ? 0.3283 0.3438 0.5703 0.1149 0.0296 -0.0575 110 GLN B NE2 2474 N N . HIS B 113 ? 0.2537 0.4241 0.4633 0.1310 -0.0305 -0.0559 111 HIS B N 2475 C CA . HIS B 113 ? 0.2208 0.4084 0.4111 0.1207 -0.0386 -0.0686 111 HIS B CA 2476 C C . HIS B 113 ? 0.2020 0.3598 0.3685 0.1093 -0.0362 -0.0713 111 HIS B C 2477 O O . HIS B 113 ? 0.1978 0.3234 0.3631 0.1060 -0.0274 -0.0693 111 HIS B O 2478 C CB . HIS B 113 ? 0.2104 0.4051 0.4078 0.1108 -0.0351 -0.0895 111 HIS B CB 2479 C CG . HIS B 113 ? 0.2019 0.4128 0.3857 0.0995 -0.0405 -0.1034 111 HIS B CG 2480 N ND1 . HIS B 113 ? 0.2944 0.5377 0.4754 0.1005 -0.0487 -0.1031 111 HIS B ND1 2481 C CD2 . HIS B 113 ? 0.2132 0.4110 0.3867 0.0863 -0.0371 -0.1181 111 HIS B CD2 2482 C CE1 . HIS B 113 ? 0.3023 0.5499 0.4735 0.0880 -0.0492 -0.1191 111 HIS B CE1 2483 N NE2 . HIS B 113 ? 0.2117 0.4326 0.3803 0.0799 -0.0424 -0.1270 111 HIS B NE2 2484 N N . HIS B 114 ? 0.1895 0.3585 0.3383 0.1022 -0.0430 -0.0761 112 HIS B N 2485 C CA . HIS B 114 ? 0.1861 0.3286 0.3132 0.0909 -0.0412 -0.0773 112 HIS B CA 2486 C C . HIS B 114 ? 0.2335 0.3440 0.3573 0.0795 -0.0311 -0.0870 112 HIS B C 2487 O O . HIS B 114 ? 0.2059 0.3190 0.3357 0.0727 -0.0269 -0.1006 112 HIS B O 2488 C CB . HIS B 114 ? 0.1712 0.3309 0.2876 0.0825 -0.0469 -0.0878 112 HIS B CB 2489 C CG . HIS B 114 ? 0.2067 0.3980 0.3195 0.0903 -0.0565 -0.0799 112 HIS B CG 2490 N ND1 . HIS B 114 ? 0.2541 0.4752 0.3664 0.0854 -0.0609 -0.0919 112 HIS B ND1 2491 C CD2 . HIS B 114 ? 0.2207 0.4163 0.3275 0.1004 -0.0604 -0.0611 112 HIS B CD2 2492 C CE1 . HIS B 114 ? 0.2706 0.5091 0.3713 0.0896 -0.0656 -0.0803 112 HIS B CE1 2493 N NE2 . HIS B 114 ? 0.2399 0.4655 0.3379 0.0994 -0.0663 -0.0606 112 HIS B NE2 2494 N N . ASN B 115 ? 0.1690 0.2522 0.2837 0.0771 -0.0268 -0.0802 113 ASN B N 2495 C CA . ASN B 115 ? 0.1713 0.2296 0.2798 0.0654 -0.0180 -0.0894 113 ASN B CA 2496 C C . ASN B 115 ? 0.1710 0.2097 0.2601 0.0576 -0.0185 -0.0854 113 ASN B C 2497 O O . ASN B 115 ? 0.1899 0.2101 0.2729 0.0492 -0.0120 -0.0902 113 ASN B O 2498 C CB . ASN B 115 ? 0.1850 0.2326 0.3110 0.0691 -0.0084 -0.0915 113 ASN B CB 2499 C CG . ASN B 115 ? 0.2132 0.2540 0.3511 0.0811 -0.0069 -0.0767 113 ASN B CG 2500 O OD1 . ASN B 115 ? 0.2092 0.2496 0.3375 0.0848 -0.0125 -0.0644 113 ASN B OD1 2501 N ND2 . ASN B 115 ? 0.2458 0.2806 0.4071 0.0869 0.0023 -0.0777 113 ASN B ND2 2502 N N . LEU B 116 ? 0.1660 0.2125 0.2461 0.0602 -0.0263 -0.0776 114 LEU B N 2503 C CA . LEU B 116 ? 0.1664 0.1984 0.2298 0.0530 -0.0279 -0.0743 114 LEU B CA 2504 C C . LEU B 116 ? 0.1694 0.2164 0.2261 0.0508 -0.0348 -0.0755 114 LEU B C 2505 O O . LEU B 116 ? 0.1835 0.2538 0.2466 0.0575 -0.0397 -0.0751 114 LEU B O 2506 C CB . LEU B 116 ? 0.1711 0.1927 0.2343 0.0596 -0.0275 -0.0616 114 LEU B CB 2507 C CG . LEU B 116 ? 0.2755 0.2793 0.3498 0.0614 -0.0184 -0.0606 114 LEU B CG 2508 C CD1 . LEU B 116 ? 0.3054 0.3037 0.3852 0.0707 -0.0176 -0.0453 114 LEU B CD1 2509 C CD2 . LEU B 116 ? 0.2716 0.2578 0.3356 0.0478 -0.0133 -0.0707 114 LEU B CD2 2510 N N . LEU B 117 ? 0.1512 0.1871 0.1969 0.0412 -0.0347 -0.0775 115 LEU B N 2511 C CA . LEU B 117 ? 0.1444 0.1900 0.1865 0.0390 -0.0394 -0.0780 115 LEU B CA 2512 C C . LEU B 117 ? 0.1652 0.1959 0.1964 0.0372 -0.0407 -0.0696 115 LEU B C 2513 O O . LEU B 117 ? 0.1932 0.2062 0.2183 0.0314 -0.0377 -0.0683 115 LEU B O 2514 C CB . LEU B 117 ? 0.2120 0.2580 0.2573 0.0296 -0.0366 -0.0873 115 LEU B CB 2515 C CG . LEU B 117 ? 0.2347 0.3009 0.2939 0.0303 -0.0355 -0.0982 115 LEU B CG 2516 C CD1 . LEU B 117 ? 0.2855 0.3476 0.3505 0.0204 -0.0301 -0.1055 115 LEU B CD1 2517 C CD2 . LEU B 117 ? 0.2840 0.3762 0.3479 0.0365 -0.0416 -0.1006 115 LEU B CD2 2518 N N . VAL B 118 ? 0.1604 0.2013 0.1893 0.0417 -0.0450 -0.0645 116 VAL B N 2519 C CA . VAL B 118 ? 0.1623 0.1907 0.1827 0.0406 -0.0457 -0.0565 116 VAL B CA 2520 C C . VAL B 118 ? 0.1441 0.1764 0.1627 0.0344 -0.0476 -0.0605 116 VAL B C 2521 O O . VAL B 118 ? 0.1593 0.2117 0.1825 0.0353 -0.0497 -0.0665 116 VAL B O 2522 C CB . VAL B 118 ? 0.2088 0.2451 0.2286 0.0506 -0.0474 -0.0454 116 VAL B CB 2523 C CG1 . VAL B 118 ? 0.2425 0.2649 0.2550 0.0485 -0.0466 -0.0378 116 VAL B CG1 2524 C CG2 . VAL B 118 ? 0.2587 0.2907 0.2867 0.0582 -0.0439 -0.0400 116 VAL B CG2 2525 N N . CYS B 119 ? 0.1391 0.1546 0.1532 0.0279 -0.0465 -0.0583 117 CYS B N 2526 C CA . CYS B 119 ? 0.1382 0.1553 0.1540 0.0234 -0.0475 -0.0598 117 CYS B CA 2527 C C . CYS B 119 ? 0.1441 0.1547 0.1533 0.0251 -0.0487 -0.0518 117 CYS B C 2528 O O . CYS B 119 ? 0.1548 0.1498 0.1593 0.0228 -0.0479 -0.0467 117 CYS B O 2529 C CB . CYS B 119 ? 0.1375 0.1437 0.1567 0.0157 -0.0453 -0.0606 117 CYS B CB 2530 S SG . CYS B 119 ? 0.1740 0.1821 0.2036 0.0112 -0.0446 -0.0623 117 CYS B SG 2531 N N . SER B 120 ? 0.1369 0.1621 0.1458 0.0286 -0.0502 -0.0517 118 SER B N 2532 C CA . SER B 120 ? 0.1409 0.1620 0.1440 0.0304 -0.0502 -0.0437 118 SER B CA 2533 C C . SER B 120 ? 0.1430 0.1637 0.1503 0.0242 -0.0498 -0.0480 118 SER B C 2534 O O . SER B 120 ? 0.1569 0.1934 0.1709 0.0223 -0.0494 -0.0569 118 SER B O 2535 C CB . SER B 120 ? 0.2011 0.2417 0.2003 0.0384 -0.0513 -0.0386 118 SER B CB 2536 O OG . SER B 120 ? 0.2316 0.2671 0.2255 0.0403 -0.0496 -0.0286 118 SER B OG 2537 N N . VAL B 121 ? 0.1365 0.1407 0.1427 0.0206 -0.0492 -0.0430 119 VAL B N 2538 C CA . VAL B 121 ? 0.1322 0.1346 0.1459 0.0153 -0.0487 -0.0455 119 VAL B CA 2539 C C . VAL B 121 ? 0.1481 0.1484 0.1576 0.0162 -0.0478 -0.0401 119 VAL B C 2540 O O . VAL B 121 ? 0.1552 0.1427 0.1600 0.0163 -0.0474 -0.0335 119 VAL B O 2541 C CB . VAL B 121 ? 0.1715 0.1608 0.1893 0.0104 -0.0495 -0.0431 119 VAL B CB 2542 C CG1 . VAL B 121 ? 0.1494 0.1388 0.1802 0.0065 -0.0486 -0.0440 119 VAL B CG1 2543 C CG2 . VAL B 121 ? 0.1816 0.1719 0.2015 0.0097 -0.0491 -0.0462 119 VAL B CG2 2544 N N . ASN B 122 ? 0.1355 0.1495 0.1477 0.0160 -0.0462 -0.0444 120 ASN B N 2545 C CA . ASN B 122 ? 0.1415 0.1579 0.1477 0.0177 -0.0442 -0.0386 120 ASN B CA 2546 C C . ASN B 122 ? 0.1554 0.1746 0.1703 0.0127 -0.0416 -0.0436 120 ASN B C 2547 O O . ASN B 122 ? 0.1741 0.2029 0.2004 0.0093 -0.0402 -0.0542 120 ASN B O 2548 C CB . ASN B 122 ? 0.1534 0.1909 0.1507 0.0236 -0.0439 -0.0366 120 ASN B CB 2549 C CG . ASN B 122 ? 0.2289 0.2642 0.2204 0.0303 -0.0456 -0.0290 120 ASN B CG 2550 O OD1 . ASN B 122 ? 0.2264 0.2680 0.2206 0.0311 -0.0479 -0.0351 120 ASN B OD1 2551 N ND2 . ASN B 122 ? 0.2500 0.2761 0.2365 0.0352 -0.0430 -0.0159 120 ASN B ND2 2552 N N . GLY B 123 ? 0.1529 0.1638 0.1652 0.0122 -0.0395 -0.0367 121 GLY B N 2553 C CA . GLY B 123 ? 0.1436 0.1603 0.1627 0.0084 -0.0359 -0.0407 121 GLY B CA 2554 C C . GLY B 123 ? 0.1957 0.2032 0.2317 0.0031 -0.0361 -0.0448 121 GLY B C 2555 O O . GLY B 123 ? 0.1785 0.1928 0.2255 -0.0001 -0.0322 -0.0509 121 GLY B O 2556 N N . PHE B 124 ? 0.1333 0.1278 0.1725 0.0024 -0.0402 -0.0409 122 PHE B N 2557 C CA . PHE B 124 ? 0.1280 0.1181 0.1847 -0.0011 -0.0414 -0.0415 122 PHE B CA 2558 C C . PHE B 124 ? 0.1296 0.1127 0.1902 -0.0036 -0.0425 -0.0363 122 PHE B C 2559 O O . PHE B 124 ? 0.1350 0.1121 0.1844 -0.0035 -0.0423 -0.0324 122 PHE B O 2560 C CB . PHE B 124 ? 0.1251 0.1110 0.1846 -0.0009 -0.0452 -0.0392 122 PHE B CB 2561 C CG . PHE B 124 ? 0.1287 0.1070 0.1727 0.0000 -0.0490 -0.0333 122 PHE B CG 2562 C CD1 . PHE B 124 ? 0.1307 0.1040 0.1747 -0.0029 -0.0525 -0.0280 122 PHE B CD1 2563 C CD2 . PHE B 124 ? 0.1399 0.1190 0.1712 0.0032 -0.0486 -0.0346 122 PHE B CD2 2564 C CE1 . PHE B 124 ? 0.1727 0.1414 0.2044 -0.0037 -0.0545 -0.0265 122 PHE B CE1 2565 C CE2 . PHE B 124 ? 0.1478 0.1195 0.1687 0.0035 -0.0503 -0.0312 122 PHE B CE2 2566 C CZ . PHE B 124 ? 0.1724 0.1386 0.1934 -0.0006 -0.0526 -0.0284 122 PHE B CZ 2567 N N . TYR B 125 ? 0.1381 0.1227 0.2180 -0.0057 -0.0428 -0.0367 123 TYR B N 2568 C CA . TYR B 125 ? 0.1267 0.1089 0.2143 -0.0082 -0.0452 -0.0321 123 TYR B CA 2569 C C . TYR B 125 ? 0.1230 0.1087 0.2326 -0.0082 -0.0478 -0.0281 123 TYR B C 2570 O O . TYR B 125 ? 0.1469 0.1356 0.2736 -0.0073 -0.0433 -0.0322 123 TYR B O 2571 C CB . TYR B 125 ? 0.1313 0.1157 0.2234 -0.0100 -0.0396 -0.0361 123 TYR B CB 2572 C CG . TYR B 125 ? 0.1307 0.1131 0.2289 -0.0131 -0.0420 -0.0326 123 TYR B CG 2573 C CD1 . TYR B 125 ? 0.1529 0.1292 0.2379 -0.0149 -0.0413 -0.0312 123 TYR B CD1 2574 C CD2 . TYR B 125 ? 0.1402 0.1283 0.2604 -0.0142 -0.0445 -0.0310 123 TYR B CD2 2575 C CE1 . TYR B 125 ? 0.1664 0.1434 0.2591 -0.0191 -0.0429 -0.0312 123 TYR B CE1 2576 C CE2 . TYR B 125 ? 0.1478 0.1388 0.2744 -0.0174 -0.0477 -0.0289 123 TYR B CE2 2577 C CZ . TYR B 125 ? 0.1507 0.1368 0.2631 -0.0205 -0.0469 -0.0304 123 TYR B CZ 2578 O OH . TYR B 125 ? 0.1550 0.1463 0.2759 -0.0250 -0.0492 -0.0315 123 TYR B OH 2579 N N . PRO B 126 ? 0.1507 0.1384 0.2622 -0.0092 -0.0544 -0.0201 124 PRO B N 2580 C CA . PRO B 126 ? 0.1466 0.1337 0.2426 -0.0121 -0.0587 -0.0189 124 PRO B CA 2581 C C . PRO B 126 ? 0.1961 0.1792 0.2719 -0.0120 -0.0606 -0.0187 124 PRO B C 2582 O O . PRO B 126 ? 0.1610 0.1410 0.2320 -0.0092 -0.0587 -0.0196 124 PRO B O 2583 C CB . PRO B 126 ? 0.1576 0.1561 0.2677 -0.0135 -0.0653 -0.0116 124 PRO B CB 2584 C CG . PRO B 126 ? 0.1753 0.1770 0.3012 -0.0095 -0.0658 -0.0037 124 PRO B CG 2585 C CD . PRO B 126 ? 0.1634 0.1575 0.2976 -0.0076 -0.0572 -0.0117 124 PRO B CD 2586 N N . GLY B 127 ? 0.2038 0.1884 0.2700 -0.0158 -0.0636 -0.0195 125 GLY B N 2587 C CA . GLY B 127 ? 0.1898 0.1700 0.2391 -0.0166 -0.0634 -0.0221 125 GLY B CA 2588 C C . GLY B 127 ? 0.2059 0.1921 0.2499 -0.0163 -0.0677 -0.0177 125 GLY B C 2589 O O . GLY B 127 ? 0.2356 0.2164 0.2682 -0.0151 -0.0657 -0.0202 125 GLY B O 2590 N N . SER B 128 ? 0.2297 0.2283 0.2831 -0.0169 -0.0732 -0.0097 126 SER B N 2591 C CA . SER B 128 ? 0.2021 0.2092 0.2501 -0.0169 -0.0769 -0.0026 126 SER B CA 2592 C C . SER B 128 ? 0.1675 0.1654 0.2179 -0.0124 -0.0724 -0.0008 126 SER B C 2593 O O . SER B 128 ? 0.1968 0.1907 0.2634 -0.0089 -0.0691 0.0008 126 SER B O 2594 C CB . SER B 128 ? 0.3323 0.3571 0.3926 -0.0170 -0.0834 0.0099 126 SER B CB 2595 O OG . SER B 128 ? 0.4514 0.4725 0.5341 -0.0118 -0.0811 0.0170 126 SER B OG 2596 N N . ILE B 129 ? 0.1826 0.1786 0.2189 -0.0132 -0.0713 -0.0032 127 ILE B N 2597 C CA . ILE B 129 ? 0.1642 0.1533 0.2033 -0.0097 -0.0667 -0.0038 127 ILE B CA 2598 C C . ILE B 129 ? 0.1611 0.1539 0.1877 -0.0116 -0.0668 -0.0021 127 ILE B C 2599 O O . ILE B 129 ? 0.2068 0.2051 0.2192 -0.0158 -0.0691 -0.0052 127 ILE B O 2600 C CB . ILE B 129 ? 0.1490 0.1285 0.1847 -0.0072 -0.0622 -0.0143 127 ILE B CB 2601 C CG1 . ILE B 129 ? 0.1912 0.1690 0.2362 -0.0042 -0.0576 -0.0170 127 ILE B CG1 2602 C CG2 . ILE B 129 ? 0.1918 0.1672 0.2105 -0.0084 -0.0615 -0.0206 127 ILE B CG2 2603 C CD1 . ILE B 129 ? 0.1932 0.1696 0.2377 -0.0016 -0.0542 -0.0261 127 ILE B CD1 2604 N N . GLU B 130 ? 0.1555 0.1464 0.1895 -0.0094 -0.0632 0.0015 128 GLU B N 2605 C CA . GLU B 130 ? 0.1608 0.1550 0.1842 -0.0113 -0.0618 0.0031 128 GLU B CA 2606 C C . GLU B 130 ? 0.2082 0.1942 0.2352 -0.0088 -0.0559 -0.0051 128 GLU B C 2607 O O . GLU B 130 ? 0.2039 0.1868 0.2484 -0.0065 -0.0519 -0.0051 128 GLU B O 2608 C CB . GLU B 130 ? 0.2366 0.2410 0.2675 -0.0118 -0.0628 0.0196 128 GLU B CB 2609 C CG . GLU B 130 ? 0.3634 0.3742 0.3816 -0.0147 -0.0607 0.0229 128 GLU B CG 2610 C CD . GLU B 130 ? 0.5184 0.5423 0.5143 -0.0205 -0.0654 0.0189 128 GLU B CD 2611 O OE1 . GLU B 130 ? 0.5666 0.5937 0.5494 -0.0239 -0.0623 0.0140 128 GLU B OE1 2612 O OE2 . GLU B 130 ? 0.5917 0.6243 0.5851 -0.0225 -0.0712 0.0188 128 GLU B OE2 2613 N N . VAL B 131 ? 0.1502 0.1344 0.1630 -0.0097 -0.0547 -0.0137 129 VAL B N 2614 C CA . VAL B 131 ? 0.1460 0.1266 0.1621 -0.0070 -0.0502 -0.0220 129 VAL B CA 2615 C C . VAL B 131 ? 0.2096 0.1929 0.2185 -0.0096 -0.0472 -0.0222 129 VAL B C 2616 O O . VAL B 131 ? 0.1939 0.1800 0.1887 -0.0128 -0.0484 -0.0238 129 VAL B O 2617 C CB . VAL B 131 ? 0.1576 0.1344 0.1667 -0.0039 -0.0506 -0.0313 129 VAL B CB 2618 C CG1 . VAL B 131 ? 0.1550 0.1340 0.1684 -0.0004 -0.0473 -0.0389 129 VAL B CG1 2619 C CG2 . VAL B 131 ? 0.1910 0.1661 0.2049 -0.0022 -0.0526 -0.0305 129 VAL B CG2 2620 N N . ARG B 132 ? 0.1514 0.1350 0.1719 -0.0091 -0.0422 -0.0220 130 ARG B N 2621 C CA A ARG B 132 ? 0.1746 0.1611 0.1899 -0.0119 -0.0381 -0.0220 130 ARG B CA 2622 C CA B ARG B 132 ? 0.1739 0.1605 0.1899 -0.0119 -0.0379 -0.0214 130 ARG B CA 2623 C C . ARG B 132 ? 0.1816 0.1675 0.2065 -0.0099 -0.0329 -0.0327 130 ARG B C 2624 O O . ARG B 132 ? 0.1481 0.1340 0.1878 -0.0075 -0.0314 -0.0382 130 ARG B O 2625 C CB A ARG B 132 ? 0.1975 0.1884 0.2179 -0.0147 -0.0357 -0.0067 130 ARG B CB 2626 C CB B ARG B 132 ? 0.1766 0.1666 0.2011 -0.0142 -0.0349 -0.0064 130 ARG B CB 2627 C CG A ARG B 132 ? 0.2451 0.2444 0.2531 -0.0172 -0.0420 0.0042 130 ARG B CG 2628 C CG B ARG B 132 ? 0.2574 0.2550 0.2736 -0.0161 -0.0406 0.0074 130 ARG B CG 2629 C CD A ARG B 132 ? 0.3246 0.3328 0.3370 -0.0188 -0.0399 0.0231 130 ARG B CD 2630 C CD B ARG B 132 ? 0.3168 0.3199 0.3440 -0.0166 -0.0368 0.0263 130 ARG B CD 2631 N NE A ARG B 132 ? 0.4148 0.4373 0.4163 -0.0208 -0.0473 0.0342 130 ARG B NE 2632 N NE B ARG B 132 ? 0.4051 0.4206 0.4275 -0.0171 -0.0433 0.0423 130 ARG B NE 2633 C CZ A ARG B 132 ? 0.4481 0.4741 0.4630 -0.0177 -0.0509 0.0481 130 ARG B CZ 2634 C CZ B ARG B 132 ? 0.4455 0.4780 0.4473 -0.0215 -0.0471 0.0486 130 ARG B CZ 2635 N NH1 A ARG B 132 ? 0.4388 0.4527 0.4796 -0.0130 -0.0463 0.0515 130 ARG B NH1 2636 N NH1 B ARG B 132 ? 0.3883 0.4247 0.3731 -0.0262 -0.0439 0.0395 130 ARG B NH1 2637 N NH2 A ARG B 132 ? 0.4921 0.5358 0.4967 -0.0198 -0.0586 0.0572 130 ARG B NH2 2638 N NH2 B ARG B 132 ? 0.4844 0.5329 0.4836 -0.0216 -0.0540 0.0630 130 ARG B NH2 2639 N N . TRP B 133 ? 0.1651 0.1533 0.1822 -0.0117 -0.0299 -0.0376 131 TRP B N 2640 C CA . TRP B 133 ? 0.1541 0.1449 0.1808 -0.0100 -0.0252 -0.0485 131 TRP B CA 2641 C C . TRP B 133 ? 0.1604 0.1526 0.1964 -0.0142 -0.0173 -0.0449 131 TRP B C 2642 O O . TRP B 133 ? 0.1916 0.1849 0.2178 -0.0182 -0.0155 -0.0353 131 TRP B O 2643 C CB . TRP B 133 ? 0.1657 0.1581 0.1817 -0.0082 -0.0261 -0.0572 131 TRP B CB 2644 C CG . TRP B 133 ? 0.1489 0.1417 0.1648 -0.0018 -0.0307 -0.0624 131 TRP B CG 2645 C CD1 . TRP B 133 ? 0.1897 0.1776 0.1958 0.0002 -0.0341 -0.0608 131 TRP B CD1 2646 C CD2 . TRP B 133 ? 0.1879 0.1888 0.2148 0.0032 -0.0316 -0.0693 131 TRP B CD2 2647 N NE1 . TRP B 133 ? 0.1695 0.1603 0.1795 0.0070 -0.0367 -0.0633 131 TRP B NE1 2648 C CE2 . TRP B 133 ? 0.1879 0.1891 0.2090 0.0090 -0.0361 -0.0685 131 TRP B CE2 2649 C CE3 . TRP B 133 ? 0.1930 0.2034 0.2353 0.0028 -0.0284 -0.0769 131 TRP B CE3 2650 C CZ2 . TRP B 133 ? 0.1839 0.1975 0.2110 0.0151 -0.0386 -0.0727 131 TRP B CZ2 2651 C CZ3 . TRP B 133 ? 0.1930 0.2171 0.2418 0.0076 -0.0312 -0.0847 131 TRP B CZ3 2652 C CH2 . TRP B 133 ? 0.1798 0.2068 0.2195 0.0141 -0.0369 -0.0814 131 TRP B CH2 2653 N N . PHE B 134 ? 0.1559 0.1504 0.2112 -0.0137 -0.0120 -0.0530 132 PHE B N 2654 C CA . PHE B 134 ? 0.1826 0.1775 0.2513 -0.0178 -0.0021 -0.0514 132 PHE B CA 2655 C C . PHE B 134 ? 0.2036 0.2059 0.2817 -0.0175 0.0017 -0.0681 132 PHE B C 2656 O O . PHE B 134 ? 0.1957 0.2052 0.2788 -0.0137 -0.0024 -0.0803 132 PHE B O 2657 C CB . PHE B 134 ? 0.1740 0.1644 0.2669 -0.0191 0.0040 -0.0449 132 PHE B CB 2658 C CG . PHE B 134 ? 0.2006 0.1860 0.2889 -0.0188 0.0010 -0.0256 132 PHE B CG 2659 C CD1 . PHE B 134 ? 0.1897 0.1742 0.2707 -0.0156 -0.0078 -0.0246 132 PHE B CD1 2660 C CD2 . PHE B 134 ? 0.1899 0.1740 0.2818 -0.0213 0.0071 -0.0074 132 PHE B CD2 2661 C CE1 . PHE B 134 ? 0.1848 0.1677 0.2634 -0.0152 -0.0112 -0.0076 132 PHE B CE1 2662 C CE2 . PHE B 134 ? 0.2083 0.1927 0.2967 -0.0200 0.0031 0.0120 132 PHE B CE2 2663 C CZ . PHE B 134 ? 0.2128 0.1969 0.2954 -0.0170 -0.0063 0.0110 132 PHE B CZ 2664 N N . ARG B 135 ? 0.2251 0.2285 0.3053 -0.0215 0.0096 -0.0681 133 ARG B N 2665 C CA . ARG B 135 ? 0.1865 0.1985 0.2808 -0.0221 0.0149 -0.0840 133 ARG B CA 2666 C C . ARG B 135 ? 0.2238 0.2331 0.3402 -0.0279 0.0280 -0.0816 133 ARG B C 2667 O O . ARG B 135 ? 0.2618 0.2660 0.3722 -0.0318 0.0342 -0.0683 133 ARG B O 2668 C CB . ARG B 135 ? 0.2106 0.2268 0.2898 -0.0215 0.0139 -0.0890 133 ARG B CB 2669 C CG . ARG B 135 ? 0.2510 0.2789 0.3461 -0.0210 0.0182 -0.1056 133 ARG B CG 2670 C CD . ARG B 135 ? 0.2710 0.3026 0.3544 -0.0188 0.0169 -0.1108 133 ARG B CD 2671 N NE . ARG B 135 ? 0.3415 0.3672 0.4117 -0.0251 0.0236 -0.1033 133 ARG B NE 2672 C CZ . ARG B 135 ? 0.3536 0.3824 0.4313 -0.0307 0.0342 -0.1066 133 ARG B CZ 2673 N NH1 . ARG B 135 ? 0.3625 0.3894 0.4249 -0.0368 0.0401 -0.0990 133 ARG B NH1 2674 N NH2 . ARG B 135 ? 0.3707 0.4073 0.4714 -0.0310 0.0395 -0.1183 133 ARG B NH2 2675 N N . ASN B 136 ? 0.1854 0.2295 0.3994 -0.0504 0.0427 -0.0393 134 ASN B N 2676 C CA . ASN B 136 ? 0.2195 0.2556 0.4544 -0.0581 0.0537 -0.0397 134 ASN B CA 2677 C C . ASN B 136 ? 0.2627 0.2777 0.4935 -0.0556 0.0609 -0.0269 134 ASN B C 2678 O O . ASN B 136 ? 0.3166 0.3236 0.5568 -0.0578 0.0717 -0.0185 134 ASN B O 2679 C CB . ASN B 136 ? 0.2723 0.3172 0.5186 -0.0617 0.0606 -0.0380 134 ASN B CB 2680 C CG . ASN B 136 ? 0.2954 0.3625 0.5447 -0.0626 0.0535 -0.0493 134 ASN B CG 2681 O OD1 . ASN B 136 ? 0.2925 0.3675 0.5420 -0.0638 0.0462 -0.0612 134 ASN B OD1 2682 N ND2 . ASN B 136 ? 0.3317 0.4098 0.5826 -0.0612 0.0559 -0.0448 134 ASN B ND2 2683 N N . GLY B 137 ? 0.2252 0.2324 0.4422 -0.0503 0.0551 -0.0245 135 GLY B N 2684 C CA . GLY B 137 ? 0.2422 0.2317 0.4562 -0.0471 0.0611 -0.0127 135 GLY B CA 2685 C C . GLY B 137 ? 0.2675 0.2538 0.4634 -0.0394 0.0619 0.0034 135 GLY B C 2686 O O . GLY B 137 ? 0.2808 0.2554 0.4726 -0.0353 0.0661 0.0147 135 GLY B O 2687 N N . GLN B 138 ? 0.2391 0.2365 0.4241 -0.0371 0.0581 0.0044 136 GLN B N 2688 C CA . GLN B 138 ? 0.2397 0.2364 0.4060 -0.0302 0.0581 0.0173 136 GLN B CA 2689 C C . GLN B 138 ? 0.1931 0.1952 0.3393 -0.0250 0.0467 0.0143 136 GLN B C 2690 O O . GLN B 138 ? 0.1630 0.1743 0.3087 -0.0260 0.0404 0.0041 136 GLN B O 2691 C CB . GLN B 138 ? 0.2740 0.2780 0.4426 -0.0312 0.0641 0.0210 136 GLN B CB 2692 C CG . GLN B 138 ? 0.4440 0.4420 0.6322 -0.0363 0.0771 0.0260 136 GLN B CG 2693 C CD . GLN B 138 ? 0.6133 0.5973 0.7989 -0.0325 0.0844 0.0406 136 GLN B CD 2694 O OE1 . GLN B 138 ? 0.6770 0.6609 0.8438 -0.0253 0.0828 0.0516 136 GLN B OE1 2695 N NE2 . GLN B 138 ? 0.6530 0.6260 0.8580 -0.0371 0.0928 0.0405 136 GLN B NE2 2696 N N . GLU B 139 ? 0.2103 0.2075 0.3405 -0.0194 0.0445 0.0232 137 GLU B N 2697 C CA . GLU B 139 ? 0.1615 0.1628 0.2741 -0.0155 0.0347 0.0198 137 GLU B CA 2698 C C . GLU B 139 ? 0.1946 0.2047 0.2969 -0.0138 0.0328 0.0182 137 GLU B C 2699 O O . GLU B 139 ? 0.2432 0.2550 0.3426 -0.0128 0.0386 0.0250 137 GLU B O 2700 C CB . GLU B 139 ? 0.1809 0.1773 0.2800 -0.0106 0.0323 0.0285 137 GLU B CB 2701 C CG . GLU B 139 ? 0.2221 0.2222 0.3058 -0.0080 0.0227 0.0233 137 GLU B CG 2702 C CD . GLU B 139 ? 0.2963 0.2943 0.3682 -0.0040 0.0197 0.0302 137 GLU B CD 2703 O OE1 . GLU B 139 ? 0.3145 0.3085 0.3901 -0.0022 0.0245 0.0397 137 GLU B OE1 2704 O OE2 . GLU B 139 ? 0.3185 0.3195 0.3779 -0.0025 0.0129 0.0264 137 GLU B OE2 2705 N N . GLU B 140 ? 0.1521 0.1673 0.2493 -0.0131 0.0256 0.0094 138 GLU B N 2706 C CA . GLU B 140 ? 0.1935 0.2156 0.2809 -0.0105 0.0239 0.0074 138 GLU B CA 2707 C C . GLU B 140 ? 0.1872 0.2061 0.2552 -0.0065 0.0188 0.0093 138 GLU B C 2708 O O . GLU B 140 ? 0.2076 0.2241 0.2719 -0.0059 0.0129 0.0056 138 GLU B O 2709 C CB . GLU B 140 ? 0.2423 0.2725 0.3371 -0.0114 0.0199 -0.0027 138 GLU B CB 2710 C CG . GLU B 140 ? 0.3552 0.3918 0.4707 -0.0164 0.0239 -0.0073 138 GLU B CG 2711 C CD . GLU B 140 ? 0.5121 0.5543 0.6329 -0.0172 0.0309 -0.0039 138 GLU B CD 2712 O OE1 . GLU B 140 ? 0.6021 0.6550 0.7246 -0.0157 0.0297 -0.0084 138 GLU B OE1 2713 O OE2 . GLU B 140 ? 0.5454 0.5822 0.6693 -0.0188 0.0382 0.0039 138 GLU B OE2 2714 N N . LYS B 141 ? 0.1950 0.2147 0.2510 -0.0042 0.0215 0.0146 139 LYS B N 2715 C CA . LYS B 141 ? 0.2150 0.2329 0.2533 -0.0016 0.0173 0.0153 139 LYS B CA 2716 C C . LYS B 141 ? 0.1750 0.1955 0.2037 0.0004 0.0166 0.0101 139 LYS B C 2717 O O . LYS B 141 ? 0.2408 0.2590 0.2573 0.0016 0.0128 0.0073 139 LYS B O 2718 C CB . LYS B 141 ? 0.3036 0.3216 0.3335 -0.0003 0.0205 0.0247 139 LYS B CB 2719 C CG . LYS B 141 ? 0.3578 0.3719 0.3959 -0.0007 0.0216 0.0314 139 LYS B CG 2720 C CD . LYS B 141 ? 0.4144 0.4310 0.4419 0.0023 0.0238 0.0418 139 LYS B CD 2721 C CE . LYS B 141 ? 0.4945 0.5069 0.5291 0.0035 0.0242 0.0490 139 LYS B CE 2722 N NZ . LYS B 141 ? 0.5275 0.5448 0.5526 0.0077 0.0267 0.0610 139 LYS B NZ 2723 N N . THR B 142 ? 0.1699 0.1949 0.2052 0.0006 0.0210 0.0088 140 THR B N 2724 C CA . THR B 142 ? 0.1671 0.1943 0.1953 0.0034 0.0218 0.0044 140 THR B CA 2725 C C . THR B 142 ? 0.1918 0.2200 0.2252 0.0048 0.0174 -0.0022 140 THR B C 2726 O O . THR B 142 ? 0.2000 0.2325 0.2471 0.0033 0.0159 -0.0043 140 THR B O 2727 C CB . THR B 142 ? 0.2061 0.2393 0.2396 0.0039 0.0290 0.0065 140 THR B CB 2728 O OG1 . THR B 142 ? 0.2515 0.2845 0.2804 0.0029 0.0338 0.0141 140 THR B OG1 2729 C CG2 . THR B 142 ? 0.2376 0.2719 0.2625 0.0076 0.0310 0.0025 140 THR B CG2 2730 N N . GLY B 143 ? 0.1681 0.1928 0.1906 0.0078 0.0157 -0.0056 141 GLY B N 2731 C CA . GLY B 143 ? 0.1461 0.1721 0.1721 0.0108 0.0127 -0.0101 141 GLY B CA 2732 C C . GLY B 143 ? 0.1577 0.1813 0.1855 0.0097 0.0065 -0.0118 141 GLY B C 2733 O O . GLY B 143 ? 0.1942 0.2228 0.2292 0.0115 0.0038 -0.0147 141 GLY B O 2734 N N . VAL B 144 ? 0.1666 0.1841 0.1878 0.0071 0.0044 -0.0100 142 VAL B N 2735 C CA . VAL B 144 ? 0.1434 0.1582 0.1652 0.0063 -0.0008 -0.0115 142 VAL B CA 2736 C C . VAL B 144 ? 0.1915 0.1995 0.2011 0.0077 -0.0024 -0.0134 142 VAL B C 2737 O O . VAL B 144 ? 0.1733 0.1775 0.1728 0.0069 -0.0006 -0.0129 142 VAL B O 2738 C CB . VAL B 144 ? 0.1518 0.1649 0.1765 0.0028 -0.0019 -0.0079 142 VAL B CB 2739 C CG1 . VAL B 144 ? 0.1713 0.1817 0.1966 0.0024 -0.0068 -0.0098 142 VAL B CG1 2740 C CG2 . VAL B 144 ? 0.1617 0.1793 0.2003 0.0008 0.0013 -0.0062 142 VAL B CG2 2741 N N . VAL B 145 ? 0.1362 0.1435 0.1469 0.0098 -0.0053 -0.0159 143 VAL B N 2742 C CA . VAL B 145 ? 0.1502 0.1501 0.1514 0.0111 -0.0057 -0.0175 143 VAL B CA 2743 C C . VAL B 145 ? 0.1772 0.1771 0.1811 0.0113 -0.0100 -0.0182 143 VAL B C 2744 O O . VAL B 145 ? 0.1676 0.1742 0.1804 0.0118 -0.0123 -0.0188 143 VAL B O 2745 C CB . VAL B 145 ? 0.2024 0.2002 0.2006 0.0159 -0.0015 -0.0187 143 VAL B CB 2746 C CG1 . VAL B 145 ? 0.2679 0.2736 0.2746 0.0206 -0.0027 -0.0185 143 VAL B CG1 2747 C CG2 . VAL B 145 ? 0.2275 0.2148 0.2161 0.0162 0.0002 -0.0204 143 VAL B CG2 2748 N N . SER B 146 ? 0.1650 0.1583 0.1618 0.0103 -0.0108 -0.0189 144 SER B N 2749 C CA . SER B 146 ? 0.1593 0.1528 0.1583 0.0099 -0.0145 -0.0192 144 SER B CA 2750 C C . SER B 146 ? 0.2145 0.2008 0.2067 0.0111 -0.0132 -0.0199 144 SER B C 2751 O O . SER B 146 ? 0.2162 0.1958 0.2019 0.0106 -0.0096 -0.0209 144 SER B O 2752 C CB . SER B 146 ? 0.1952 0.1896 0.1957 0.0057 -0.0171 -0.0179 144 SER B CB 2753 O OG . SER B 146 ? 0.1580 0.1523 0.1604 0.0053 -0.0200 -0.0184 144 SER B OG 2754 N N . THR B 147 ? 0.1753 0.1627 0.1694 0.0125 -0.0155 -0.0198 145 THR B N 2755 C CA . THR B 147 ? 0.2249 0.2053 0.2137 0.0126 -0.0139 -0.0197 145 THR B CA 2756 C C . THR B 147 ? 0.2155 0.1927 0.2015 0.0067 -0.0149 -0.0209 145 THR B C 2757 O O . THR B 147 ? 0.2214 0.1922 0.2034 0.0050 -0.0127 -0.0219 145 THR B O 2758 C CB . THR B 147 ? 0.1952 0.1795 0.1866 0.0157 -0.0160 -0.0188 145 THR B CB 2759 O OG1 . THR B 147 ? 0.1711 0.1616 0.1681 0.0131 -0.0203 -0.0199 145 THR B OG1 2760 C CG2 . THR B 147 ? 0.2482 0.2383 0.2414 0.0224 -0.0153 -0.0176 145 THR B CG2 2761 N N . GLY B 148 ? 0.1807 0.1633 0.1698 0.0038 -0.0180 -0.0204 146 GLY B N 2762 C CA . GLY B 148 ? 0.1862 0.1700 0.1742 -0.0005 -0.0202 -0.0204 146 GLY B CA 2763 C C . GLY B 148 ? 0.1909 0.1769 0.1836 0.0002 -0.0227 -0.0197 146 GLY B C 2764 O O . GLY B 148 ? 0.1779 0.1652 0.1740 0.0037 -0.0230 -0.0197 146 GLY B O 2765 N N . LEU B 149 ? 0.1582 0.1463 0.1514 -0.0030 -0.0246 -0.0194 147 LEU B N 2766 C CA . LEU B 149 ? 0.1292 0.1196 0.1270 -0.0022 -0.0264 -0.0188 147 LEU B CA 2767 C C . LEU B 149 ? 0.1800 0.1657 0.1749 -0.0017 -0.0240 -0.0200 147 LEU B C 2768 O O . LEU B 149 ? 0.1906 0.1726 0.1817 -0.0050 -0.0218 -0.0214 147 LEU B O 2769 C CB . LEU B 149 ? 0.1662 0.1622 0.1667 -0.0050 -0.0289 -0.0172 147 LEU B CB 2770 C CG . LEU B 149 ? 0.1945 0.1934 0.2008 -0.0039 -0.0303 -0.0165 147 LEU B CG 2771 C CD1 . LEU B 149 ? 0.1745 0.1740 0.1871 -0.0006 -0.0307 -0.0161 147 LEU B CD1 2772 C CD2 . LEU B 149 ? 0.2314 0.2371 0.2402 -0.0062 -0.0324 -0.0145 147 LEU B CD2 2773 N N . ILE B 150 ? 0.1584 0.1448 0.1552 0.0022 -0.0239 -0.0196 148 ILE B N 2774 C CA . ILE B 150 ? 0.1695 0.1520 0.1633 0.0040 -0.0208 -0.0190 148 ILE B CA 2775 C C . ILE B 150 ? 0.1429 0.1292 0.1400 0.0039 -0.0220 -0.0187 148 ILE B C 2776 O O . ILE B 150 ? 0.1561 0.1479 0.1572 0.0061 -0.0244 -0.0193 148 ILE B O 2777 C CB . ILE B 150 ? 0.1849 0.1676 0.1768 0.0100 -0.0194 -0.0180 148 ILE B CB 2778 C CG1 . ILE B 150 ? 0.2291 0.2081 0.2183 0.0109 -0.0174 -0.0180 148 ILE B CG1 2779 C CG2 . ILE B 150 ? 0.2433 0.2225 0.2316 0.0132 -0.0156 -0.0156 148 ILE B CG2 2780 C CD1 . ILE B 150 ? 0.3112 0.2941 0.3001 0.0174 -0.0169 -0.0167 148 ILE B CD1 2781 N N . GLN B 151 ? 0.1393 0.1228 0.1356 0.0009 -0.0196 -0.0185 149 GLN B N 2782 C CA . GLN B 151 ? 0.2286 0.2159 0.2282 0.0009 -0.0197 -0.0179 149 GLN B CA 2783 C C . GLN B 151 ? 0.3034 0.2885 0.2994 0.0058 -0.0162 -0.0159 149 GLN B C 2784 O O . GLN B 151 ? 0.3711 0.3490 0.3628 0.0066 -0.0116 -0.0141 149 GLN B O 2785 C CB . GLN B 151 ? 0.3149 0.3024 0.3166 -0.0051 -0.0187 -0.0186 149 GLN B CB 2786 C CG . GLN B 151 ? 0.3841 0.3793 0.3920 -0.0059 -0.0205 -0.0182 149 GLN B CG 2787 C CD . GLN B 151 ? 0.4593 0.4595 0.4709 -0.0121 -0.0215 -0.0195 149 GLN B CD 2788 O OE1 . GLN B 151 ? 0.4440 0.4408 0.4531 -0.0168 -0.0197 -0.0217 149 GLN B OE1 2789 N NE2 . GLN B 151 ? 0.4700 0.4793 0.4881 -0.0119 -0.0243 -0.0185 149 GLN B NE2 2790 N N . ASN B 152 ? 0.1798 0.1712 0.1774 0.0094 -0.0177 -0.0161 150 ASN B N 2791 C CA . ASN B 152 ? 0.1502 0.1426 0.1432 0.0150 -0.0148 -0.0138 150 ASN B CA 2792 C C . ASN B 152 ? 0.1757 0.1662 0.1682 0.0143 -0.0103 -0.0112 150 ASN B C 2793 O O . ASN B 152 ? 0.2081 0.1983 0.1957 0.0191 -0.0064 -0.0077 150 ASN B O 2794 C CB . ASN B 152 ? 0.1821 0.1839 0.1762 0.0192 -0.0182 -0.0166 150 ASN B CB 2795 C CG . ASN B 152 ? 0.2051 0.2094 0.1998 0.0204 -0.0213 -0.0188 150 ASN B CG 2796 O OD1 . ASN B 152 ? 0.2112 0.2117 0.2024 0.0220 -0.0198 -0.0166 150 ASN B OD1 2797 N ND2 . ASN B 152 ? 0.1624 0.1727 0.1627 0.0197 -0.0249 -0.0234 150 ASN B ND2 2798 N N . GLY B 153 ? 0.1646 0.1554 0.1625 0.0086 -0.0106 -0.0125 151 GLY B N 2799 C CA . GLY B 153 ? 0.1379 0.1276 0.1373 0.0066 -0.0059 -0.0105 151 GLY B CA 2800 C C . GLY B 153 ? 0.1656 0.1635 0.1677 0.0092 -0.0064 -0.0107 151 GLY B C 2801 O O . GLY B 153 ? 0.1693 0.1680 0.1737 0.0077 -0.0025 -0.0090 151 GLY B O 2802 N N . ASP B 154 ? 0.1504 0.1543 0.1529 0.0127 -0.0108 -0.0135 152 ASP B N 2803 C CA . ASP B 154 ? 0.1509 0.1622 0.1551 0.0158 -0.0108 -0.0152 152 ASP B CA 2804 C C . ASP B 154 ? 0.1663 0.1818 0.1783 0.0145 -0.0151 -0.0192 152 ASP B C 2805 O O . ASP B 154 ? 0.1656 0.1861 0.1788 0.0176 -0.0159 -0.0228 152 ASP B O 2806 C CB . ASP B 154 ? 0.2173 0.2328 0.2141 0.0224 -0.0105 -0.0156 152 ASP B CB 2807 C CG . ASP B 154 ? 0.2683 0.2856 0.2648 0.0235 -0.0152 -0.0194 152 ASP B CG 2808 O OD1 . ASP B 154 ? 0.1919 0.2050 0.1929 0.0196 -0.0178 -0.0203 152 ASP B OD1 2809 O OD2 . ASP B 154 ? 0.2598 0.2841 0.2519 0.0283 -0.0163 -0.0215 152 ASP B OD2 2810 N N . TRP B 155 ? 0.1441 0.1580 0.1615 0.0100 -0.0172 -0.0186 153 TRP B N 2811 C CA . TRP B 155 ? 0.1031 0.1201 0.1283 0.0094 -0.0204 -0.0203 153 TRP B CA 2812 C C . TRP B 155 ? 0.1300 0.1456 0.1550 0.0113 -0.0229 -0.0234 153 TRP B C 2813 O O . TRP B 155 ? 0.1232 0.1404 0.1547 0.0124 -0.0238 -0.0257 153 TRP B O 2814 C CB . TRP B 155 ? 0.1136 0.1361 0.1451 0.0112 -0.0188 -0.0211 153 TRP B CB 2815 C CG . TRP B 155 ? 0.1285 0.1545 0.1636 0.0084 -0.0168 -0.0182 153 TRP B CG 2816 C CD1 . TRP B 155 ? 0.1522 0.1776 0.1836 0.0073 -0.0128 -0.0165 153 TRP B CD1 2817 C CD2 . TRP B 155 ? 0.1235 0.1552 0.1673 0.0061 -0.0185 -0.0163 153 TRP B CD2 2818 N NE1 . TRP B 155 ? 0.1497 0.1802 0.1881 0.0035 -0.0117 -0.0148 153 TRP B NE1 2819 C CE2 . TRP B 155 ? 0.1368 0.1725 0.1826 0.0029 -0.0157 -0.0148 153 TRP B CE2 2820 C CE3 . TRP B 155 ? 0.1192 0.1540 0.1697 0.0068 -0.0216 -0.0152 153 TRP B CE3 2821 C CZ2 . TRP B 155 ? 0.1225 0.1674 0.1772 0.0001 -0.0170 -0.0131 153 TRP B CZ2 2822 C CZ3 . TRP B 155 ? 0.1364 0.1800 0.1946 0.0052 -0.0227 -0.0123 153 TRP B CZ3 2823 C CH2 . TRP B 155 ? 0.1343 0.1839 0.1946 0.0017 -0.0209 -0.0118 153 TRP B CH2 2824 N N . THR B 156 ? 0.1107 0.1232 0.1293 0.0117 -0.0234 -0.0234 154 THR B N 2825 C CA . THR B 156 ? 0.1105 0.1224 0.1303 0.0122 -0.0258 -0.0259 154 THR B CA 2826 C C . THR B 156 ? 0.1563 0.1638 0.1720 0.0103 -0.0264 -0.0235 154 THR B C 2827 O O . THR B 156 ? 0.1567 0.1609 0.1671 0.0095 -0.0244 -0.0209 154 THR B O 2828 C CB . THR B 156 ? 0.1326 0.1491 0.1498 0.0159 -0.0260 -0.0304 154 THR B CB 2829 O OG1 . THR B 156 ? 0.1601 0.1769 0.1686 0.0185 -0.0248 -0.0280 154 THR B OG1 2830 C CG2 . THR B 156 ? 0.1518 0.1731 0.1717 0.0178 -0.0248 -0.0341 154 THR B CG2 2831 N N . PHE B 157 ? 0.1312 0.1380 0.1497 0.0095 -0.0283 -0.0245 155 PHE B N 2832 C CA . PHE B 157 ? 0.1426 0.1459 0.1573 0.0081 -0.0285 -0.0228 155 PHE B CA 2833 C C . PHE B 157 ? 0.1454 0.1508 0.1600 0.0104 -0.0293 -0.0254 155 PHE B C 2834 O O . PHE B 157 ? 0.1576 0.1675 0.1765 0.0118 -0.0301 -0.0293 155 PHE B O 2835 C CB . PHE B 157 ? 0.1421 0.1444 0.1604 0.0050 -0.0298 -0.0208 155 PHE B CB 2836 C CG . PHE B 157 ? 0.1569 0.1604 0.1757 0.0024 -0.0298 -0.0185 155 PHE B CG 2837 C CD1 . PHE B 157 ? 0.1618 0.1693 0.1869 0.0029 -0.0303 -0.0177 155 PHE B CD1 2838 C CD2 . PHE B 157 ? 0.1649 0.1664 0.1784 -0.0008 -0.0292 -0.0177 155 PHE B CD2 2839 C CE1 . PHE B 157 ? 0.1949 0.2065 0.2215 0.0005 -0.0308 -0.0155 155 PHE B CE1 2840 C CE2 . PHE B 157 ? 0.1994 0.2045 0.2143 -0.0041 -0.0296 -0.0169 155 PHE B CE2 2841 C CZ . PHE B 157 ? 0.2013 0.2125 0.2229 -0.0034 -0.0308 -0.0155 155 PHE B CZ 2842 N N . GLN B 158 ? 0.1154 0.1181 0.1259 0.0105 -0.0287 -0.0240 156 GLN B N 2843 C CA . GLN B 158 ? 0.0992 0.1055 0.1118 0.0120 -0.0296 -0.0261 156 GLN B CA 2844 C C . GLN B 158 ? 0.1310 0.1332 0.1419 0.0103 -0.0287 -0.0240 156 GLN B C 2845 O O . GLN B 158 ? 0.1416 0.1384 0.1480 0.0084 -0.0274 -0.0216 156 GLN B O 2846 C CB . GLN B 158 ? 0.1330 0.1445 0.1413 0.0168 -0.0293 -0.0271 156 GLN B CB 2847 C CG . GLN B 158 ? 0.1348 0.1411 0.1353 0.0194 -0.0264 -0.0226 156 GLN B CG 2848 C CD . GLN B 158 ? 0.1923 0.2054 0.1888 0.0259 -0.0258 -0.0218 156 GLN B CD 2849 O OE1 . GLN B 158 ? 0.2053 0.2257 0.2037 0.0283 -0.0274 -0.0234 156 GLN B OE1 2850 N NE2 . GLN B 158 ? 0.1716 0.1839 0.1628 0.0290 -0.0235 -0.0188 156 GLN B NE2 2851 N N . THR B 159 ? 0.1189 0.1245 0.1338 0.0105 -0.0292 -0.0256 157 THR B N 2852 C CA . THR B 159 ? 0.1277 0.1305 0.1406 0.0097 -0.0278 -0.0237 157 THR B CA 2853 C C . THR B 159 ? 0.1393 0.1487 0.1568 0.0116 -0.0280 -0.0260 157 THR B C 2854 O O . THR B 159 ? 0.1561 0.1717 0.1810 0.0110 -0.0294 -0.0296 157 THR B O 2855 C CB . THR B 159 ? 0.1717 0.1714 0.1865 0.0058 -0.0276 -0.0215 157 THR B CB 2856 O OG1 . THR B 159 ? 0.1786 0.1763 0.1897 0.0053 -0.0258 -0.0200 157 THR B OG1 2857 C CG2 . THR B 159 ? 0.1551 0.1576 0.1796 0.0045 -0.0282 -0.0224 157 THR B CG2 2858 N N . LEU B 160 ? 0.1041 0.1127 0.1178 0.0137 -0.0261 -0.0244 158 LEU B N 2859 C CA . LEU B 160 ? 0.1371 0.1534 0.1562 0.0152 -0.0260 -0.0262 158 LEU B CA 2860 C C . LEU B 160 ? 0.1337 0.1463 0.1537 0.0126 -0.0237 -0.0243 158 LEU B C 2861 O O . LEU B 160 ? 0.1740 0.1795 0.1867 0.0124 -0.0215 -0.0218 158 LEU B O 2862 C CB . LEU B 160 ? 0.1629 0.1835 0.1780 0.0214 -0.0252 -0.0251 158 LEU B CB 2863 C CG . LEU B 160 ? 0.3502 0.3756 0.3619 0.0259 -0.0266 -0.0250 158 LEU B CG 2864 C CD1 . LEU B 160 ? 0.3307 0.3678 0.3431 0.0325 -0.0268 -0.0246 158 LEU B CD1 2865 C CD2 . LEU B 160 ? 0.4086 0.4388 0.4245 0.0233 -0.0297 -0.0292 158 LEU B CD2 2866 N N . VAL B 161 ? 0.1221 0.1397 0.1511 0.0102 -0.0236 -0.0259 159 VAL B N 2867 C CA . VAL B 161 ? 0.1301 0.1456 0.1604 0.0081 -0.0207 -0.0235 159 VAL B CA 2868 C C . VAL B 161 ? 0.1255 0.1500 0.1633 0.0093 -0.0195 -0.0256 159 VAL B C 2869 O O . VAL B 161 ? 0.1334 0.1658 0.1814 0.0078 -0.0208 -0.0296 159 VAL B O 2870 C CB . VAL B 161 ? 0.1137 0.1262 0.1495 0.0039 -0.0201 -0.0218 159 VAL B CB 2871 C CG1 . VAL B 161 ? 0.1543 0.1654 0.1900 0.0025 -0.0165 -0.0179 159 VAL B CG1 2872 C CG2 . VAL B 161 ? 0.1201 0.1268 0.1500 0.0033 -0.0218 -0.0198 159 VAL B CG2 2873 N N . MET B 162 ? 0.1117 0.1359 0.1450 0.0120 -0.0169 -0.0236 160 MET B N 2874 C CA A MET B 162 ? 0.1116 0.1457 0.1519 0.0142 -0.0154 -0.0249 160 MET B CA 2875 C CA B MET B 162 ? 0.1184 0.1530 0.1599 0.0136 -0.0156 -0.0253 160 MET B CA 2876 C C . MET B 162 ? 0.1407 0.1748 0.1857 0.0111 -0.0114 -0.0232 160 MET B C 2877 O O . MET B 162 ? 0.1638 0.1895 0.2015 0.0097 -0.0090 -0.0198 160 MET B O 2878 C CB A MET B 162 ? 0.1469 0.1805 0.1798 0.0205 -0.0137 -0.0232 160 MET B CB 2879 C CB B MET B 162 ? 0.1651 0.2048 0.2028 0.0204 -0.0157 -0.0250 160 MET B CB 2880 C CG A MET B 162 ? 0.2184 0.2578 0.2499 0.0257 -0.0165 -0.0239 160 MET B CG 2881 C CG B MET B 162 ? 0.2063 0.2343 0.2315 0.0236 -0.0132 -0.0217 160 MET B CG 2882 S SD A MET B 162 ? 0.2717 0.3022 0.2958 0.0243 -0.0192 -0.0238 160 MET B SD 2883 S SD B MET B 162 ? 0.3551 0.3881 0.3771 0.0326 -0.0132 -0.0202 160 MET B SD 2884 C CE A MET B 162 ? 0.2675 0.2814 0.2798 0.0236 -0.0150 -0.0204 160 MET B CE 2885 C CE B MET B 162 ? 0.2333 0.2636 0.2514 0.0315 -0.0173 -0.0209 160 MET B CE 2886 N N . LEU B 163 ? 0.1169 0.1619 0.1739 0.0101 -0.0105 -0.0256 161 LEU B N 2887 C CA . LEU B 163 ? 0.1211 0.1677 0.1837 0.0078 -0.0057 -0.0236 161 LEU B CA 2888 C C . LEU B 163 ? 0.1170 0.1735 0.1823 0.0123 -0.0040 -0.0243 161 LEU B C 2889 O O . LEU B 163 ? 0.1433 0.2128 0.2168 0.0142 -0.0067 -0.0281 161 LEU B O 2890 C CB . LEU B 163 ? 0.1142 0.1653 0.1917 0.0019 -0.0048 -0.0261 161 LEU B CB 2891 C CG . LEU B 163 ? 0.1366 0.1899 0.2222 -0.0009 0.0013 -0.0235 161 LEU B CG 2892 C CD1 . LEU B 163 ? 0.2052 0.2470 0.2800 -0.0011 0.0049 -0.0163 161 LEU B CD1 2893 C CD2 . LEU B 163 ? 0.1831 0.2409 0.2861 -0.0071 0.0029 -0.0273 161 LEU B CD2 2894 N N . GLU B 164 ? 0.1329 0.1845 0.1911 0.0145 0.0006 -0.0208 162 GLU B N 2895 C CA . GLU B 164 ? 0.1611 0.2207 0.2214 0.0198 0.0034 -0.0207 162 GLU B CA 2896 C C . GLU B 164 ? 0.1645 0.2356 0.2391 0.0168 0.0066 -0.0214 162 GLU B C 2897 O O . GLU B 164 ? 0.2297 0.2972 0.3034 0.0150 0.0120 -0.0184 162 GLU B O 2898 C CB . GLU B 164 ? 0.1936 0.2421 0.2402 0.0233 0.0077 -0.0178 162 GLU B CB 2899 C CG . GLU B 164 ? 0.1968 0.2346 0.2315 0.0259 0.0054 -0.0178 162 GLU B CG 2900 C CD . GLU B 164 ? 0.2843 0.3097 0.3060 0.0274 0.0101 -0.0169 162 GLU B CD 2901 O OE1 . GLU B 164 ? 0.2863 0.3095 0.3049 0.0246 0.0139 -0.0162 162 GLU B OE1 2902 O OE2 . GLU B 164 ? 0.2934 0.3113 0.3080 0.0311 0.0106 -0.0172 162 GLU B OE2 2903 N N . THR B 165 ? 0.1602 0.2464 0.2483 0.0162 0.0036 -0.0257 163 THR B N 2904 C CA . THR B 165 ? 0.1401 0.2390 0.2448 0.0121 0.0066 -0.0279 163 THR B CA 2905 C C . THR B 165 ? 0.1006 0.2204 0.2170 0.0146 0.0024 -0.0333 163 THR B C 2906 O O . THR B 165 ? 0.1110 0.2345 0.2232 0.0181 -0.0034 -0.0354 163 THR B O 2907 C CB . THR B 165 ? 0.2061 0.2996 0.3189 0.0033 0.0077 -0.0291 163 THR B CB 2908 O OG1 . THR B 165 ? 0.2475 0.3500 0.3760 -0.0013 0.0129 -0.0300 163 THR B OG1 2909 C CG2 . THR B 165 ? 0.2111 0.3086 0.3292 0.0006 0.0016 -0.0354 163 THR B CG2 2910 N N . VAL B 166 ? 0.1007 0.2360 0.2319 0.0131 0.0053 -0.0352 164 VAL B N 2911 C CA . VAL B 166 ? 0.0976 0.2571 0.2422 0.0146 0.0009 -0.0412 164 VAL B CA 2912 C C . VAL B 166 ? 0.1147 0.2821 0.2766 0.0040 0.0003 -0.0489 164 VAL B C 2913 O O . VAL B 166 ? 0.1248 0.2918 0.2980 -0.0023 0.0064 -0.0488 164 VAL B O 2914 C CB . VAL B 166 ? 0.0995 0.2749 0.2520 0.0199 0.0045 -0.0394 164 VAL B CB 2915 C CG1 . VAL B 166 ? 0.0965 0.3008 0.2633 0.0217 -0.0010 -0.0457 164 VAL B CG1 2916 C CG2 . VAL B 166 ? 0.1156 0.2806 0.2521 0.0302 0.0072 -0.0321 164 VAL B CG2 2917 N N . PRO B 167 ? 0.1041 0.2779 0.2681 0.0020 -0.0061 -0.0557 165 PRO B N 2918 C CA . PRO B 167 ? 0.1280 0.3074 0.3085 -0.0087 -0.0061 -0.0648 165 PRO B CA 2919 C C . PRO B 167 ? 0.1786 0.3805 0.3806 -0.0134 -0.0037 -0.0707 165 PRO B C 2920 O O . PRO B 167 ? 0.1694 0.3886 0.3710 -0.0073 -0.0067 -0.0704 165 PRO B O 2921 C CB . PRO B 167 ? 0.1279 0.3157 0.3049 -0.0074 -0.0142 -0.0717 165 PRO B CB 2922 C CG . PRO B 167 ? 0.1383 0.3124 0.2935 0.0020 -0.0167 -0.0635 165 PRO B CG 2923 C CD . PRO B 167 ? 0.1040 0.2776 0.2542 0.0091 -0.0127 -0.0552 165 PRO B CD 2924 N N . ARG B 168 ? 0.1885 0.3840 0.4038 -0.0236 0.0024 -0.0734 166 ARG B N 2925 C CA . ARG B 168 ? 0.1530 0.3608 0.3821 -0.0290 0.0053 -0.0773 166 ARG B CA 2926 C C . ARG B 168 ? 0.1502 0.3565 0.3849 -0.0376 0.0036 -0.0871 166 ARG B C 2927 O O . ARG B 168 ? 0.1701 0.3596 0.4023 -0.0417 0.0048 -0.0887 166 ARG B O 2928 C CB . ARG B 168 ? 0.1905 0.3905 0.4302 -0.0338 0.0158 -0.0718 166 ARG B CB 2929 C CG . ARG B 168 ? 0.2418 0.4363 0.4716 -0.0257 0.0196 -0.0615 166 ARG B CG 2930 C CD . ARG B 168 ? 0.2008 0.4169 0.4316 -0.0174 0.0169 -0.0612 166 ARG B CD 2931 N NE . ARG B 168 ? 0.2510 0.4636 0.4802 -0.0140 0.0249 -0.0529 166 ARG B NE 2932 C CZ . ARG B 168 ? 0.2012 0.3950 0.4105 -0.0072 0.0277 -0.0435 166 ARG B CZ 2933 N NH1 . ARG B 168 ? 0.1598 0.3366 0.3503 -0.0036 0.0232 -0.0410 166 ARG B NH1 2934 N NH2 . ARG B 168 ? 0.2484 0.4413 0.4572 -0.0046 0.0353 -0.0375 166 ARG B NH2 2935 N N . SER B 169 ? 0.1376 0.3618 0.3801 -0.0399 0.0013 -0.0939 167 SER B N 2936 C CA . SER B 169 ? 0.2156 0.4396 0.4659 -0.0487 0.0015 -0.1047 167 SER B CA 2937 C C . SER B 169 ? 0.1894 0.3943 0.4508 -0.0576 0.0114 -0.1036 167 SER B C 2938 O O . SER B 169 ? 0.1819 0.3843 0.4506 -0.0588 0.0182 -0.0967 167 SER B O 2939 C CB . SER B 169 ? 0.3559 0.6040 0.6154 -0.0502 -0.0013 -0.1118 167 SER B CB 2940 O OG . SER B 169 ? 0.4610 0.7264 0.7095 -0.0413 -0.0100 -0.1120 167 SER B OG 2941 N N . GLY B 170 ? 0.1959 0.3866 0.4579 -0.0630 0.0130 -0.1094 168 GLY B N 2942 C CA . GLY B 170 ? 0.2230 0.3940 0.4954 -0.0705 0.0231 -0.1077 168 GLY B CA 2943 C C . GLY B 170 ? 0.2202 0.3686 0.4846 -0.0681 0.0267 -0.0980 168 GLY B C 2944 O O . GLY B 170 ? 0.3178 0.4473 0.5879 -0.0728 0.0343 -0.0963 168 GLY B O 2945 N N . GLU B 171 ? 0.1684 0.3187 0.4201 -0.0603 0.0216 -0.0912 169 GLU B N 2946 C CA A GLU B 171 ? 0.1682 0.2996 0.4117 -0.0576 0.0238 -0.0824 169 GLU B CA 2947 C CA B GLU B 171 ? 0.1678 0.2989 0.4116 -0.0578 0.0240 -0.0825 169 GLU B CA 2948 C C . GLU B 171 ? 0.1970 0.3193 0.4323 -0.0570 0.0190 -0.0874 169 GLU B C 2949 O O . GLU B 171 ? 0.2119 0.3464 0.4416 -0.0548 0.0114 -0.0954 169 GLU B O 2950 C CB A GLU B 171 ? 0.1663 0.3043 0.4001 -0.0494 0.0205 -0.0746 169 GLU B CB 2951 C CB B GLU B 171 ? 0.1811 0.3178 0.4161 -0.0500 0.0217 -0.0740 169 GLU B CB 2952 C CG A GLU B 171 ? 0.2016 0.3458 0.4419 -0.0486 0.0270 -0.0678 169 GLU B CG 2953 C CG B GLU B 171 ? 0.2349 0.3771 0.4773 -0.0500 0.0288 -0.0673 169 GLU B CG 2954 C CD A GLU B 171 ? 0.2080 0.3508 0.4274 -0.0375 0.0236 -0.0587 169 GLU B CD 2955 C CD B GLU B 171 ? 0.3133 0.4364 0.5608 -0.0544 0.0400 -0.0585 169 GLU B CD 2956 O OE1 A GLU B 171 ? 0.2101 0.3564 0.4166 -0.0311 0.0153 -0.0604 169 GLU B OE1 2957 O OE1 B GLU B 171 ? 0.3429 0.4522 0.5730 -0.0481 0.0421 -0.0464 169 GLU B OE1 2958 O OE2 A GLU B 171 ? 0.2099 0.3475 0.4254 -0.0351 0.0299 -0.0498 169 GLU B OE2 2959 O OE2 B GLU B 171 ? 0.3675 0.4843 0.6259 -0.0614 0.0455 -0.0615 169 GLU B OE2 2960 N N . VAL B 172 ? 0.1513 0.2528 0.3857 -0.0583 0.0241 -0.0817 170 VAL B N 2961 C CA . VAL B 172 ? 0.1421 0.2339 0.3682 -0.0568 0.0202 -0.0847 170 VAL B CA 2962 C C . VAL B 172 ? 0.1674 0.2505 0.3827 -0.0515 0.0182 -0.0748 170 VAL B C 2963 O O . VAL B 172 ? 0.1904 0.2586 0.4023 -0.0502 0.0245 -0.0632 170 VAL B O 2964 C CB . VAL B 172 ? 0.2192 0.2937 0.4538 -0.0621 0.0279 -0.0866 170 VAL B CB 2965 C CG1 . VAL B 172 ? 0.2288 0.2956 0.4551 -0.0598 0.0239 -0.0905 170 VAL B CG1 2966 C CG2 . VAL B 172 ? 0.2429 0.3254 0.4907 -0.0683 0.0315 -0.0966 170 VAL B CG2 2967 N N . TYR B 173 ? 0.1428 0.2319 0.3435 -0.0453 0.0092 -0.0766 171 TYR B N 2968 C CA . TYR B 173 ? 0.1138 0.1898 0.2934 -0.0374 0.0065 -0.0657 171 TYR B CA 2969 C C . TYR B 173 ? 0.1308 0.1953 0.3059 -0.0374 0.0047 -0.0676 171 TYR B C 2970 O O . TYR B 173 ? 0.2012 0.2736 0.3817 -0.0400 0.0011 -0.0786 171 TYR B O 2971 C CB . TYR B 173 ? 0.1024 0.1902 0.2678 -0.0298 -0.0008 -0.0646 171 TYR B CB 2972 C CG . TYR B 173 ? 0.2421 0.3386 0.4088 -0.0277 0.0016 -0.0604 171 TYR B CG 2973 C CD1 . TYR B 173 ? 0.2477 0.3649 0.4284 -0.0301 0.0007 -0.0681 171 TYR B CD1 2974 C CD2 . TYR B 173 ? 0.3253 0.4109 0.4798 -0.0233 0.0047 -0.0492 171 TYR B CD2 2975 C CE1 . TYR B 173 ? 0.2495 0.3751 0.4320 -0.0276 0.0034 -0.0638 171 TYR B CE1 2976 C CE2 . TYR B 173 ? 0.3371 0.4302 0.4924 -0.0210 0.0076 -0.0457 171 TYR B CE2 2977 C CZ . TYR B 173 ? 0.2995 0.4120 0.4691 -0.0229 0.0072 -0.0525 171 TYR B CZ 2978 O OH . TYR B 173 ? 0.4290 0.5492 0.6000 -0.0201 0.0107 -0.0486 171 TYR B OH 2979 N N . THR B 174 ? 0.1232 0.1706 0.2885 -0.0343 0.0073 -0.0570 172 THR B N 2980 C CA . THR B 174 ? 0.1139 0.1502 0.2755 -0.0336 0.0063 -0.0574 172 THR B CA 2981 C C . THR B 174 ? 0.1530 0.1823 0.2945 -0.0263 0.0022 -0.0479 172 THR B C 2982 O O . THR B 174 ? 0.1282 0.1517 0.2620 -0.0236 0.0046 -0.0377 172 THR B O 2983 C CB . THR B 174 ? 0.1344 0.1559 0.3090 -0.0380 0.0154 -0.0542 172 THR B CB 2984 O OG1 . THR B 174 ? 0.2202 0.2471 0.4153 -0.0460 0.0205 -0.0637 172 THR B OG1 2985 C CG2 . THR B 174 ? 0.1553 0.1665 0.3278 -0.0367 0.0148 -0.0554 172 THR B CG2 2986 N N . CYS B 175 ? 0.1059 0.1371 0.2392 -0.0235 -0.0037 -0.0519 173 CYS B N 2987 C CA . CYS B 175 ? 0.1034 0.1268 0.2206 -0.0181 -0.0066 -0.0441 173 CYS B CA 2988 C C . CYS B 175 ? 0.1484 0.1600 0.2695 -0.0190 -0.0037 -0.0420 173 CYS B C 2989 O O . CYS B 175 ? 0.1433 0.1552 0.2733 -0.0217 -0.0032 -0.0504 173 CYS B O 2990 C CB . CYS B 175 ? 0.1286 0.1600 0.2348 -0.0141 -0.0137 -0.0484 173 CYS B CB 2991 S SG . CYS B 175 ? 0.1692 0.1916 0.2576 -0.0088 -0.0165 -0.0399 173 CYS B SG 2992 N N . GLN B 176 ? 0.1100 0.1124 0.2247 -0.0163 -0.0014 -0.0312 174 GLN B N 2993 C CA . GLN B 176 ? 0.1150 0.1071 0.2336 -0.0156 0.0018 -0.0270 174 GLN B CA 2994 C C . GLN B 176 ? 0.1656 0.1562 0.2700 -0.0107 -0.0030 -0.0219 174 GLN B C 2995 O O . GLN B 176 ? 0.1294 0.1221 0.2215 -0.0082 -0.0056 -0.0160 174 GLN B O 2996 C CB . GLN B 176 ? 0.1457 0.1299 0.2709 -0.0160 0.0094 -0.0173 174 GLN B CB 2997 C CG . GLN B 176 ? 0.1683 0.1420 0.2980 -0.0137 0.0137 -0.0106 174 GLN B CG 2998 C CD . GLN B 176 ? 0.2500 0.2181 0.3808 -0.0115 0.0202 0.0027 174 GLN B CD 2999 O OE1 . GLN B 176 ? 0.3411 0.3123 0.4585 -0.0073 0.0175 0.0117 174 GLN B OE1 3000 N NE2 . GLN B 176 ? 0.2292 0.1897 0.3759 -0.0145 0.0292 0.0039 174 GLN B NE2 3001 N N . VAL B 177 ? 0.1212 0.1086 0.2280 -0.0099 -0.0037 -0.0249 175 VAL B N 3002 C CA . VAL B 177 ? 0.1315 0.1192 0.2268 -0.0059 -0.0082 -0.0213 175 VAL B CA 3003 C C . VAL B 177 ? 0.1308 0.1112 0.2309 -0.0035 -0.0047 -0.0146 175 VAL B C 3004 O O . VAL B 177 ? 0.1359 0.1106 0.2482 -0.0047 -0.0002 -0.0182 175 VAL B O 3005 C CB . VAL B 177 ? 0.1130 0.1063 0.2047 -0.0058 -0.0129 -0.0306 175 VAL B CB 3006 C CG1 . VAL B 177 ? 0.1461 0.1388 0.2284 -0.0023 -0.0161 -0.0269 175 VAL B CG1 3007 C CG2 . VAL B 177 ? 0.1869 0.1887 0.2726 -0.0063 -0.0164 -0.0350 175 VAL B CG2 3008 N N . GLU B 178 ? 0.1134 0.0946 0.2044 -0.0001 -0.0065 -0.0053 176 GLU B N 3009 C CA . GLU B 178 ? 0.1452 0.1228 0.2397 0.0036 -0.0043 0.0021 176 GLU B CA 3010 C C . GLU B 178 ? 0.1557 0.1387 0.2408 0.0058 -0.0100 0.0017 176 GLU B C 3011 O O . GLU B 178 ? 0.1652 0.1539 0.2385 0.0054 -0.0147 0.0018 176 GLU B O 3012 C CB . GLU B 178 ? 0.2200 0.1971 0.3132 0.0063 -0.0011 0.0146 176 GLU B CB 3013 C CG . GLU B 178 ? 0.2940 0.2643 0.3984 0.0045 0.0066 0.0170 176 GLU B CG 3014 C CD . GLU B 178 ? 0.4259 0.3988 0.5243 0.0067 0.0087 0.0284 176 GLU B CD 3015 O OE1 . GLU B 178 ? 0.4734 0.4412 0.5792 0.0097 0.0154 0.0384 176 GLU B OE1 3016 O OE2 . GLU B 178 ? 0.4608 0.4408 0.5471 0.0057 0.0043 0.0276 176 GLU B OE2 3017 N N . HIS B 179 ? 0.1432 0.1239 0.2344 0.0080 -0.0088 0.0011 177 HIS B N 3018 C CA . HIS B 179 ? 0.1589 0.1450 0.2437 0.0096 -0.0134 -0.0006 177 HIS B CA 3019 C C . HIS B 179 ? 0.1253 0.1088 0.2188 0.0135 -0.0102 0.0031 177 HIS B C 3020 O O . HIS B 179 ? 0.1372 0.1127 0.2426 0.0141 -0.0042 0.0021 177 HIS B O 3021 C CB . HIS B 179 ? 0.1734 0.1609 0.2552 0.0069 -0.0159 -0.0117 177 HIS B CB 3022 C CG . HIS B 179 ? 0.1606 0.1532 0.2353 0.0082 -0.0197 -0.0133 177 HIS B CG 3023 N ND1 . HIS B 179 ? 0.1509 0.1431 0.2306 0.0099 -0.0184 -0.0166 177 HIS B ND1 3024 C CD2 . HIS B 179 ? 0.1234 0.1210 0.1872 0.0076 -0.0238 -0.0121 177 HIS B CD2 3025 C CE1 . HIS B 179 ? 0.1521 0.1495 0.2241 0.0105 -0.0217 -0.0168 177 HIS B CE1 3026 N NE2 . HIS B 179 ? 0.1274 0.1277 0.1902 0.0088 -0.0249 -0.0142 177 HIS B NE2 3027 N N . PRO B 180 ? 0.1149 0.1052 0.2038 0.0162 -0.0135 0.0071 178 PRO B N 3028 C CA . PRO B 180 ? 0.1321 0.1217 0.2301 0.0211 -0.0102 0.0119 178 PRO B CA 3029 C C . PRO B 180 ? 0.1425 0.1251 0.2498 0.0211 -0.0061 0.0033 178 PRO B C 3030 O O . PRO B 180 ? 0.1664 0.1442 0.2844 0.0253 -0.0008 0.0068 178 PRO B O 3031 C CB . PRO B 180 ? 0.1816 0.1827 0.2723 0.0224 -0.0157 0.0149 178 PRO B CB 3032 C CG . PRO B 180 ? 0.1735 0.1802 0.2522 0.0191 -0.0203 0.0159 178 PRO B CG 3033 C CD . PRO B 180 ? 0.1737 0.1732 0.2504 0.0150 -0.0195 0.0085 178 PRO B CD 3034 N N . SER B 181 ? 0.1508 0.1333 0.2540 0.0171 -0.0082 -0.0078 179 SER B N 3035 C CA . SER B 181 ? 0.1614 0.1395 0.2718 0.0167 -0.0047 -0.0175 179 SER B CA 3036 C C . SER B 181 ? 0.1749 0.1432 0.2973 0.0146 0.0017 -0.0219 179 SER B C 3037 O O . SER B 181 ? 0.2075 0.1708 0.3383 0.0140 0.0061 -0.0304 179 SER B O 3038 C CB . SER B 181 ? 0.1761 0.1601 0.2773 0.0137 -0.0092 -0.0274 179 SER B CB 3039 O OG . SER B 181 ? 0.1536 0.1381 0.2514 0.0098 -0.0110 -0.0314 179 SER B OG 3040 N N . LEU B 182 ? 0.1703 0.1358 0.2936 0.0129 0.0028 -0.0167 180 LEU B N 3041 C CA . LEU B 182 ? 0.2152 0.1716 0.3505 0.0096 0.0093 -0.0211 180 LEU B CA 3042 C C . LEU B 182 ? 0.2438 0.1908 0.3898 0.0136 0.0170 -0.0095 180 LEU B C 3043 O O . LEU B 182 ? 0.3075 0.2583 0.4483 0.0182 0.0153 0.0033 180 LEU B O 3044 C CB . LEU B 182 ? 0.2105 0.1707 0.3406 0.0048 0.0063 -0.0235 180 LEU B CB 3045 C CG . LEU B 182 ? 0.2135 0.1839 0.3324 0.0021 -0.0010 -0.0324 180 LEU B CG 3046 C CD1 . LEU B 182 ? 0.1772 0.1515 0.2916 -0.0010 -0.0033 -0.0319 180 LEU B CD1 3047 C CD2 . LEU B 182 ? 0.2038 0.1753 0.3281 -0.0006 0.0000 -0.0467 180 LEU B CD2 3048 N N . THR B 183 ? 0.2005 0.1358 0.3617 0.0119 0.0257 -0.0141 181 THR B N 3049 C CA . THR B 183 ? 0.1976 0.1220 0.3704 0.0164 0.0349 -0.0021 181 THR B CA 3050 C C . THR B 183 ? 0.2316 0.1506 0.4093 0.0128 0.0395 0.0018 181 THR B C 3051 O O . THR B 183 ? 0.2717 0.1851 0.4549 0.0163 0.0467 0.0138 181 THR B O 3052 C CB . THR B 183 ? 0.2524 0.1688 0.4363 0.0167 0.0432 -0.0073 181 THR B CB 3053 O OG1 . THR B 183 ? 0.2957 0.2117 0.4837 0.0084 0.0447 -0.0238 181 THR B OG1 3054 C CG2 . THR B 183 ? 0.2740 0.1946 0.4547 0.0220 0.0402 -0.0077 181 THR B CG2 3055 N N . SER B 184 ? 0.2047 0.1294 0.3778 0.0059 0.0351 -0.0078 182 SER B N 3056 C CA . SER B 184 ? 0.1893 0.1119 0.3657 0.0021 0.0384 -0.0046 182 SER B CA 3057 C C . SER B 184 ? 0.2020 0.1374 0.3663 -0.0026 0.0292 -0.0126 182 SER B C 3058 O O . SER B 184 ? 0.1912 0.1342 0.3482 -0.0035 0.0224 -0.0221 182 SER B O 3059 C CB . SER B 184 ? 0.2784 0.1931 0.4702 -0.0032 0.0482 -0.0119 182 SER B CB 3060 O OG . SER B 184 ? 0.3250 0.2456 0.5184 -0.0094 0.0453 -0.0296 182 SER B OG 3061 N N . PRO B 185 ? 0.2233 0.1613 0.3851 -0.0046 0.0294 -0.0079 183 PRO B N 3062 C CA . PRO B 185 ? 0.1818 0.1319 0.3321 -0.0078 0.0211 -0.0144 183 PRO B CA 3063 C C . PRO B 185 ? 0.2039 0.1586 0.3599 -0.0137 0.0192 -0.0313 183 PRO B C 3064 O O . PRO B 185 ? 0.2179 0.1667 0.3894 -0.0185 0.0258 -0.0390 183 PRO B O 3065 C CB . PRO B 185 ? 0.2328 0.1830 0.3840 -0.0093 0.0245 -0.0072 183 PRO B CB 3066 C CG . PRO B 185 ? 0.2595 0.2009 0.4146 -0.0043 0.0316 0.0076 183 PRO B CG 3067 C CD . PRO B 185 ? 0.2652 0.1963 0.4330 -0.0032 0.0372 0.0047 183 PRO B CD 3068 N N . LEU B 186 ? 0.1880 0.1538 0.3315 -0.0133 0.0105 -0.0370 184 LEU B N 3069 C CA . LEU B 186 ? 0.1483 0.1230 0.2941 -0.0177 0.0072 -0.0517 184 LEU B CA 3070 C C . LEU B 186 ? 0.1378 0.1207 0.2830 -0.0208 0.0056 -0.0530 184 LEU B C 3071 O O . LEU B 186 ? 0.1568 0.1437 0.2901 -0.0178 0.0017 -0.0454 184 LEU B O 3072 C CB . LEU B 186 ? 0.1865 0.1693 0.3186 -0.0142 -0.0005 -0.0550 184 LEU B CB 3073 C CG . LEU B 186 ? 0.2874 0.2827 0.4178 -0.0166 -0.0052 -0.0685 184 LEU B CG 3074 C CD1 . LEU B 186 ? 0.3686 0.3624 0.5139 -0.0216 -0.0004 -0.0814 184 LEU B CD1 3075 C CD2 . LEU B 186 ? 0.2736 0.2742 0.3899 -0.0118 -0.0109 -0.0679 184 LEU B CD2 3076 N N . THR B 187 ? 0.1394 0.1254 0.2983 -0.0270 0.0089 -0.0632 185 THR B N 3077 C CA . THR B 187 ? 0.1547 0.1500 0.3154 -0.0300 0.0079 -0.0647 185 THR B CA 3078 C C . THR B 187 ? 0.1808 0.1924 0.3436 -0.0333 0.0027 -0.0792 185 THR B C 3079 O O . THR B 187 ? 0.2010 0.2153 0.3669 -0.0345 0.0042 -0.0878 185 THR B O 3080 C CB . THR B 187 ? 0.1729 0.1601 0.3498 -0.0349 0.0173 -0.0620 185 THR B CB 3081 O OG1 . THR B 187 ? 0.2116 0.1955 0.4004 -0.0384 0.0230 -0.0708 185 THR B OG1 3082 C CG2 . THR B 187 ? 0.2535 0.2276 0.4265 -0.0302 0.0222 -0.0456 185 THR B CG2 3083 N N . VAL B 188 ? 0.1463 0.1703 0.3006 -0.0313 -0.0028 -0.0780 186 VAL B N 3084 C CA . VAL B 188 ? 0.1151 0.1574 0.2695 -0.0324 -0.0073 -0.0886 186 VAL B CA 3085 C C . VAL B 188 ? 0.1254 0.1760 0.2871 -0.0352 -0.0059 -0.0881 186 VAL B C 3086 O O . VAL B 188 ? 0.1520 0.2015 0.3073 -0.0321 -0.0067 -0.0789 186 VAL B O 3087 C CB . VAL B 188 ? 0.1447 0.1972 0.2834 -0.0263 -0.0158 -0.0885 186 VAL B CB 3088 C CG1 . VAL B 188 ? 0.1459 0.2180 0.2821 -0.0251 -0.0195 -0.0952 186 VAL B CG1 3089 C CG2 . VAL B 188 ? 0.1627 0.2091 0.2947 -0.0237 -0.0168 -0.0898 186 VAL B CG2 3090 N N . GLU B 189 ? 0.1259 0.1836 0.2971 -0.0394 -0.0027 -0.0961 187 GLU B N 3091 C CA . GLU B 189 ? 0.1485 0.2155 0.3279 -0.0424 -0.0009 -0.0967 187 GLU B CA 3092 C C . GLU B 189 ? 0.1784 0.2667 0.3510 -0.0391 -0.0081 -0.1016 187 GLU B C 3093 O O . GLU B 189 ? 0.1844 0.2813 0.3494 -0.0364 -0.0126 -0.1076 187 GLU B O 3094 C CB . GLU B 189 ? 0.1525 0.2158 0.3471 -0.0490 0.0070 -0.1027 187 GLU B CB 3095 C CG . GLU B 189 ? 0.2412 0.2838 0.4447 -0.0516 0.0163 -0.0952 187 GLU B CG 3096 C CD . GLU B 189 ? 0.3090 0.3482 0.5282 -0.0577 0.0249 -0.1009 187 GLU B CD 3097 O OE1 . GLU B 189 ? 0.3447 0.3687 0.5723 -0.0594 0.0337 -0.0932 187 GLU B OE1 3098 O OE2 . GLU B 189 ? 0.3604 0.4128 0.5836 -0.0606 0.0233 -0.1128 187 GLU B OE2 3099 N N . TRP B 190 ? 0.1187 0.2161 0.2942 -0.0388 -0.0086 -0.0982 188 TRP B N 3100 C CA . TRP B 190 ? 0.1604 0.2785 0.3307 -0.0347 -0.0146 -0.1013 188 TRP B CA 3101 C C . TRP B 190 ? 0.1555 0.2831 0.3380 -0.0384 -0.0112 -0.1021 188 TRP B C 3102 O O . TRP B 190 ? 0.1353 0.2548 0.3250 -0.0407 -0.0060 -0.0956 188 TRP B O 3103 C CB . TRP B 190 ? 0.1430 0.2640 0.2998 -0.0265 -0.0203 -0.0935 188 TRP B CB 3104 C CG . TRP B 190 ? 0.1408 0.2818 0.2910 -0.0205 -0.0257 -0.0945 188 TRP B CG 3105 C CD1 . TRP B 190 ? 0.1881 0.3388 0.3273 -0.0153 -0.0308 -0.0973 188 TRP B CD1 3106 C CD2 . TRP B 190 ? 0.1521 0.3063 0.3068 -0.0183 -0.0257 -0.0918 188 TRP B CD2 3107 N NE1 . TRP B 190 ? 0.1884 0.3570 0.3246 -0.0097 -0.0340 -0.0958 188 TRP B NE1 3108 C CE2 . TRP B 190 ? 0.1611 0.3321 0.3070 -0.0113 -0.0311 -0.0926 188 TRP B CE2 3109 C CE3 . TRP B 190 ? 0.1466 0.3003 0.3123 -0.0210 -0.0209 -0.0881 188 TRP B CE3 3110 C CZ2 . TRP B 190 ? 0.1433 0.3300 0.2910 -0.0067 -0.0321 -0.0897 188 TRP B CZ2 3111 C CZ3 . TRP B 190 ? 0.1326 0.3025 0.3002 -0.0168 -0.0218 -0.0860 188 TRP B CZ3 3112 C CH2 . TRP B 190 ? 0.1229 0.3089 0.2818 -0.0095 -0.0276 -0.0867 188 TRP B CH2 3113 N N . ARG B 191 ? 0.1202 0.2659 0.3053 -0.0389 -0.0138 -0.1098 189 ARG B N 3114 C CA . ARG B 191 ? 0.1235 0.2808 0.3203 -0.0422 -0.0112 -0.1112 189 ARG B CA 3115 C C . ARG B 191 ? 0.1403 0.3204 0.3311 -0.0357 -0.0179 -0.1115 189 ARG B C 3116 O O . ARG B 191 ? 0.1769 0.3664 0.3576 -0.0312 -0.0235 -0.1150 189 ARG B O 3117 C CB . ARG B 191 ? 0.1612 0.3189 0.3716 -0.0508 -0.0064 -0.1215 189 ARG B CB 3118 C CG . ARG B 191 ? 0.1713 0.3063 0.3898 -0.0567 0.0019 -0.1206 189 ARG B CG 3119 C CD . ARG B 191 ? 0.2266 0.3625 0.4555 -0.0634 0.0058 -0.1328 189 ARG B CD 3120 N NE . ARG B 191 ? 0.2514 0.3666 0.4917 -0.0690 0.0158 -0.1310 189 ARG B NE 3121 C CZ . ARG B 191 ? 0.2801 0.3765 0.5175 -0.0680 0.0190 -0.1274 189 ARG B CZ 3122 N NH1 . ARG B 191 ? 0.2658 0.3613 0.4893 -0.0623 0.0128 -0.1259 189 ARG B NH1 3123 N NH2 . ARG B 191 ? 0.3024 0.3808 0.5508 -0.0722 0.0289 -0.1246 189 ARG B NH2 3124 N N . ALA B 192 ? 0.1621 0.3513 0.3591 -0.0347 -0.0165 -0.1071 190 ALA B N 3125 C CA . ALA B 192 ? 0.1749 0.3854 0.3671 -0.0274 -0.0219 -0.1057 190 ALA B CA 3126 C C . ALA B 192 ? 0.2448 0.4740 0.4403 -0.0295 -0.0252 -0.1161 190 ALA B C 3127 O O . ALA B 192 ? 0.2882 0.5334 0.4747 -0.0222 -0.0310 -0.1157 190 ALA B O 3128 C CB . ALA B 192 ? 0.1925 0.4088 0.3925 -0.0259 -0.0184 -0.0991 190 ALA B CB 3129 N N . THR B 193 ? 0.1972 0.4246 0.4057 -0.0392 -0.0209 -0.1252 191 THR B N 3130 C CA . THR B 193 ? 0.2867 0.5326 0.4997 -0.0422 -0.0235 -0.1369 191 THR B CA 3131 C C . THR B 193 ? 0.3158 0.5540 0.5264 -0.0461 -0.0230 -0.1462 191 THR B C 3132 O O . THR B 193 ? 0.3337 0.5824 0.5524 -0.0518 -0.0223 -0.1581 191 THR B O 3133 C CB . THR B 193 ? 0.3265 0.5811 0.5580 -0.0503 -0.0190 -0.1424 191 THR B CB 3134 O OG1 . THR B 193 ? 0.3641 0.5976 0.6064 -0.0589 -0.0106 -0.1434 191 THR B OG1 3135 C CG2 . THR B 193 ? 0.3103 0.5761 0.5449 -0.0457 -0.0194 -0.1336 191 THR B CG2 3136 N N . GLY B 194 ? 0.3108 0.5316 0.5107 -0.0429 -0.0232 -0.1411 192 GLY B N 3137 C CA . GLY B 194 ? 0.3402 0.5532 0.5371 -0.0454 -0.0224 -0.1486 192 GLY B CA 3138 C C . GLY B 194 ? 0.4050 0.6375 0.5921 -0.0404 -0.0286 -0.1547 192 GLY B C 3139 O O . GLY B 194 ? 0.4643 0.7034 0.6558 -0.0449 -0.0277 -0.1664 192 GLY B O 3140 N N . SER C 1 ? 0.3670 0.3485 0.5320 -0.0057 0.0094 -0.2102 1 SER C N 3141 C CA . SER C 1 ? 0.3206 0.2962 0.4856 0.0050 0.0097 -0.1950 1 SER C CA 3142 C C . SER C 1 ? 0.2756 0.2816 0.4275 0.0010 0.0151 -0.1852 1 SER C C 3143 O O . SER C 1 ? 0.2472 0.2699 0.3890 -0.0111 0.0164 -0.1854 1 SER C O 3144 C CB . SER C 1 ? 0.3721 0.2981 0.5406 0.0039 0.0042 -0.1770 1 SER C CB 3145 O OG . SER C 1 ? 0.5043 0.3963 0.6791 0.0088 -0.0017 -0.1844 1 SER C OG 3146 N N . ALA C 2 ? 0.2546 0.2684 0.4062 0.0116 0.0172 -0.1763 2 ALA C N 3147 C CA . ALA C 2 ? 0.2079 0.2512 0.3418 0.0081 0.0216 -0.1593 2 ALA C CA 3148 C C . ALA C 2 ? 0.1937 0.2197 0.3222 0.0048 0.0189 -0.1310 2 ALA C C 3149 O O . ALA C 2 ? 0.2190 0.2219 0.3560 0.0120 0.0154 -0.1212 2 ALA C O 3150 C CB . ALA C 2 ? 0.2643 0.3356 0.3988 0.0178 0.0271 -0.1662 2 ALA C CB 3151 N N . VAL C 3 ? 0.1779 0.2168 0.2915 -0.0047 0.0195 -0.1190 3 VAL C N 3152 C CA . VAL C 3 ? 0.1632 0.1938 0.2703 -0.0072 0.0180 -0.0951 3 VAL C CA 3153 C C . VAL C 3 ? 0.2102 0.2523 0.3120 0.0006 0.0200 -0.0850 3 VAL C C 3154 O O . VAL C 3 ? 0.2102 0.2758 0.3036 0.0016 0.0240 -0.0913 3 VAL C O 3155 C CB . VAL C 3 ? 0.1577 0.2040 0.2528 -0.0164 0.0171 -0.0896 3 VAL C CB 3156 C CG1 . VAL C 3 ? 0.1670 0.2109 0.2546 -0.0166 0.0160 -0.0681 3 VAL C CG1 3157 C CG2 . VAL C 3 ? 0.1927 0.2313 0.2969 -0.0270 0.0155 -0.1003 3 VAL C CG2 3158 N N . ARG C 4 ? 0.1449 0.1711 0.2504 0.0046 0.0174 -0.0699 4 ARG C N 3159 C CA . ARG C 4 ? 0.1527 0.1909 0.2556 0.0103 0.0186 -0.0614 4 ARG C CA 3160 C C . ARG C 4 ? 0.1631 0.2057 0.2508 0.0048 0.0181 -0.0442 4 ARG C C 3161 O O . ARG C 4 ? 0.1824 0.2131 0.2672 0.0008 0.0154 -0.0345 4 ARG C O 3162 C CB . ARG C 4 ? 0.1652 0.1866 0.2815 0.0206 0.0138 -0.0576 4 ARG C CB 3163 C CG . ARG C 4 ? 0.1832 0.2020 0.3170 0.0313 0.0125 -0.0770 4 ARG C CG 3164 C CD . ARG C 4 ? 0.1729 0.1711 0.3184 0.0449 0.0041 -0.0716 4 ARG C CD 3165 N NE . ARG C 4 ? 0.2302 0.2225 0.3945 0.0589 0.0005 -0.0921 4 ARG C NE 3166 C CZ . ARG C 4 ? 0.2802 0.2477 0.4556 0.0746 -0.0099 -0.0911 4 ARG C CZ 3167 N NH1 . ARG C 4 ? 0.2846 0.2496 0.4689 0.0849 -0.0138 -0.1072 4 ARG C NH1 3168 N NH2 . ARG C 4 ? 0.2232 0.1708 0.3898 0.0763 -0.0171 -0.0689 4 ARG C NH2 3169 N N . LEU C 5 ? 0.1687 0.2281 0.2465 0.0039 0.0212 -0.0415 5 LEU C N 3170 C CA . LEU C 5 ? 0.1938 0.2524 0.2582 0.0010 0.0193 -0.0266 5 LEU C CA 3171 C C . LEU C 5 ? 0.1850 0.2388 0.2562 0.0051 0.0172 -0.0179 5 LEU C C 3172 O O . LEU C 5 ? 0.1960 0.2550 0.2800 0.0103 0.0180 -0.0238 5 LEU C O 3173 C CB . LEU C 5 ? 0.2388 0.3095 0.2847 -0.0038 0.0221 -0.0253 5 LEU C CB 3174 C CG . LEU C 5 ? 0.2785 0.3636 0.3218 -0.0072 0.0286 -0.0295 5 LEU C CG 3175 C CD1 . LEU C 5 ? 0.3153 0.4002 0.3634 -0.0078 0.0287 -0.0215 5 LEU C CD1 3176 C CD2 . LEU C 5 ? 0.3250 0.4155 0.3430 -0.0144 0.0309 -0.0271 5 LEU C CD2 3177 N N . ARG C 6 ? 0.1345 0.1820 0.1978 0.0039 0.0139 -0.0060 6 ARG C N 3178 C CA . ARG C 6 ? 0.1262 0.1726 0.1916 0.0068 0.0113 0.0017 6 ARG C CA 3179 C C . ARG C 6 ? 0.1364 0.1899 0.1902 0.0021 0.0128 0.0044 6 ARG C C 3180 O O . ARG C 6 ? 0.1657 0.2155 0.2052 -0.0008 0.0120 0.0076 6 ARG C O 3181 C CB . ARG C 6 ? 0.1488 0.1849 0.2105 0.0073 0.0073 0.0116 6 ARG C CB 3182 C CG . ARG C 6 ? 0.1818 0.2180 0.2441 0.0111 0.0033 0.0187 6 ARG C CG 3183 C CD . ARG C 6 ? 0.1942 0.2199 0.2645 0.0173 -0.0009 0.0218 6 ARG C CD 3184 N NE . ARG C 6 ? 0.1867 0.2171 0.2716 0.0244 -0.0018 0.0126 6 ARG C NE 3185 C CZ . ARG C 6 ? 0.2646 0.3086 0.3581 0.0302 -0.0049 0.0096 6 ARG C CZ 3186 N NH1 . ARG C 6 ? 0.2717 0.3227 0.3590 0.0287 -0.0077 0.0157 6 ARG C NH1 3187 N NH2 . ARG C 6 ? 0.2391 0.2932 0.3494 0.0378 -0.0055 -0.0021 6 ARG C NH2 3188 N N . SER C 7 ? 0.1577 0.2205 0.2176 0.0012 0.0142 0.0026 7 SER C N 3189 C CA A SER C 7 ? 0.1699 0.2349 0.2182 -0.0070 0.0164 0.0055 7 SER C CA 3190 C CA B SER C 7 ? 0.1663 0.2310 0.2142 -0.0070 0.0164 0.0056 7 SER C CA 3191 C C . SER C 7 ? 0.1800 0.2328 0.2191 -0.0062 0.0105 0.0140 7 SER C C 3192 O O . SER C 7 ? 0.1765 0.2277 0.2217 0.0000 0.0060 0.0167 7 SER C O 3193 C CB A SER C 7 ? 0.1962 0.2797 0.2573 -0.0109 0.0204 -0.0013 7 SER C CB 3194 C CB B SER C 7 ? 0.1886 0.2720 0.2485 -0.0115 0.0210 -0.0014 7 SER C CB 3195 O OG A SER C 7 ? 0.1528 0.2404 0.2272 -0.0044 0.0145 -0.0007 7 SER C OG 3196 O OG B SER C 7 ? 0.2142 0.3126 0.2795 -0.0134 0.0280 -0.0117 7 SER C OG 3197 N N . SER C 8 ? 0.1449 0.1879 0.1674 -0.0122 0.0103 0.0179 8 SER C N 3198 C CA . SER C 8 ? 0.1240 0.1548 0.1386 -0.0108 0.0043 0.0223 8 SER C CA 3199 C C . SER C 8 ? 0.1772 0.2118 0.1962 -0.0191 0.0057 0.0206 8 SER C C 3200 O O . SER C 8 ? 0.1782 0.2171 0.1951 -0.0299 0.0118 0.0190 8 SER C O 3201 C CB . SER C 8 ? 0.1748 0.1876 0.1689 -0.0102 0.0006 0.0265 8 SER C CB 3202 O OG . SER C 8 ? 0.1749 0.1917 0.1693 -0.0025 -0.0013 0.0252 8 SER C OG 3203 N N . VAL C 9 ? 0.1411 0.1780 0.1663 -0.0154 0.0006 0.0196 9 VAL C N 3204 C CA . VAL C 9 ? 0.1313 0.1777 0.1651 -0.0229 0.0007 0.0150 9 VAL C CA 3205 C C . VAL C 9 ? 0.1541 0.1799 0.1729 -0.0334 -0.0005 0.0162 9 VAL C C 3206 O O . VAL C 9 ? 0.1915 0.1972 0.1972 -0.0276 -0.0064 0.0188 9 VAL C O 3207 C CB . VAL C 9 ? 0.1343 0.1929 0.1789 -0.0140 -0.0060 0.0127 9 VAL C CB 3208 C CG1 . VAL C 9 ? 0.1272 0.2027 0.1842 -0.0210 -0.0071 0.0051 9 VAL C CG1 3209 C CG2 . VAL C 9 ? 0.1677 0.2361 0.2220 -0.0035 -0.0065 0.0146 9 VAL C CG2 3210 N N . PRO C 10 ? 0.1456 0.1758 0.1663 -0.0494 0.0052 0.0134 10 PRO C N 3211 C CA . PRO C 10 ? 0.1620 0.1658 0.1667 -0.0626 0.0040 0.0155 10 PRO C CA 3212 C C . PRO C 10 ? 0.1659 0.1673 0.1765 -0.0600 -0.0040 0.0088 10 PRO C C 3213 O O . PRO C 10 ? 0.1592 0.1889 0.1895 -0.0589 -0.0051 0.0006 10 PRO C O 3214 C CB . PRO C 10 ? 0.2008 0.2184 0.2097 -0.0840 0.0146 0.0128 10 PRO C CB 3215 C CG . PRO C 10 ? 0.2630 0.3228 0.2989 -0.0778 0.0184 0.0038 10 PRO C CG 3216 C CD . PRO C 10 ? 0.1896 0.2488 0.2266 -0.0570 0.0137 0.0073 10 PRO C CD 3217 N N . GLY C 11 ? 0.2018 0.1704 0.1952 -0.0573 -0.0109 0.0108 11 GLY C N 3218 C CA . GLY C 11 ? 0.2015 0.1667 0.1985 -0.0537 -0.0190 0.0018 11 GLY C CA 3219 C C . GLY C 11 ? 0.2461 0.2052 0.2462 -0.0740 -0.0178 -0.0052 11 GLY C C 3220 O O . GLY C 11 ? 0.2365 0.1912 0.2335 -0.0931 -0.0097 -0.0014 11 GLY C O 3221 N N . VAL C 12 ? 0.2177 0.1787 0.2235 -0.0715 -0.0254 -0.0165 12 VAL C N 3222 C CA . VAL C 12 ? 0.2559 0.2119 0.2668 -0.0916 -0.0257 -0.0265 12 VAL C CA 3223 C C . VAL C 12 ? 0.3434 0.2443 0.3313 -0.1023 -0.0285 -0.0230 12 VAL C C 3224 O O . VAL C 12 ? 0.3547 0.2264 0.3291 -0.0867 -0.0377 -0.0240 12 VAL C O 3225 C CB . VAL C 12 ? 0.2946 0.2724 0.3180 -0.0839 -0.0344 -0.0420 12 VAL C CB 3226 C CG1 . VAL C 12 ? 0.3358 0.3167 0.3694 -0.1068 -0.0345 -0.0554 12 VAL C CG1 3227 C CG2 . VAL C 12 ? 0.2741 0.2975 0.3134 -0.0696 -0.0347 -0.0422 12 VAL C CG2 3228 N N . ARG C 13 ? 0.3163 0.2028 0.2994 -0.1289 -0.0209 -0.0195 13 ARG C N 3229 C CA . ARG C 13 ? 0.4914 0.3174 0.4485 -0.1429 -0.0239 -0.0135 13 ARG C CA 3230 C C . ARG C 13 ? 0.5295 0.3347 0.4893 -0.1428 -0.0344 -0.0294 13 ARG C C 3231 O O . ARG C 13 ? 0.5145 0.3498 0.4959 -0.1545 -0.0328 -0.0440 13 ARG C O 3232 C CB . ARG C 13 ? 0.5701 0.4013 0.5265 -0.1654 -0.0102 -0.0057 13 ARG C CB 3233 C CG . ARG C 13 ? 0.6423 0.4684 0.5802 -0.1642 -0.0024 0.0122 13 ARG C CG 3234 C CD . ARG C 13 ? 0.7309 0.5623 0.6646 -0.1866 0.0101 0.0176 13 ARG C CD 3235 N NE . ARG C 13 ? 0.8411 0.6331 0.7415 -0.1868 0.0106 0.0353 13 ARG C NE 3236 C CZ . ARG C 13 ? 0.9446 0.6867 0.8229 -0.1923 0.0052 0.0425 13 ARG C CZ 3237 N NH1 . ARG C 13 ? 0.9844 0.6946 0.8317 -0.1908 0.0043 0.0590 13 ARG C NH1 3238 N NH2 . ARG C 13 ? 0.9763 0.7008 0.8638 -0.1986 -0.0002 0.0324 13 ARG C NH2 # 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 ILE 1 1 ? ? ? A . n A 1 2 LYS 2 2 ? ? ? A . n A 1 3 GLU 3 3 3 GLU GLU A . n A 1 4 GLU 4 4 4 GLU GLU A . n A 1 5 HIS 5 5 5 HIS HIS A . n A 1 6 VAL 6 6 6 VAL VAL A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 ILE 8 8 8 ILE ILE A . n A 1 9 GLN 9 9 9 GLN GLN A . n A 1 10 ALA 10 10 10 ALA ALA A . n A 1 11 GLU 11 11 11 GLU GLU A . n A 1 12 PHE 12 12 12 PHE PHE A . n A 1 13 TYR 13 13 13 TYR TYR A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 ASN 15 15 15 ASN ASN A . n A 1 16 PRO 16 16 16 PRO PRO A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 GLY 20 20 20 GLY GLY A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 PHE 22 22 22 PHE PHE A . n A 1 23 MET 23 23 23 MET MET A . n A 1 24 PHE 24 24 24 PHE PHE A . n A 1 25 ASP 25 25 25 ASP ASP A . n A 1 26 PHE 26 26 26 PHE PHE A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 GLY 28 28 28 GLY GLY A . n A 1 29 ASP 29 29 29 ASP ASP A . n A 1 30 GLU 30 30 30 GLU GLU A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 HIS 33 33 33 HIS HIS A . n A 1 34 VAL 34 34 34 VAL VAL A . n A 1 35 ASP 35 35 35 ASP ASP A . n A 1 36 MET 36 36 36 MET MET A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 LYS 38 38 38 LYS LYS A . n A 1 39 LYS 39 39 39 LYS LYS A . n A 1 40 GLU 40 40 40 GLU GLU A . n A 1 41 THR 41 41 41 THR THR A . n A 1 42 VAL 42 42 42 VAL VAL A . n A 1 43 TRP 43 43 43 TRP TRP A . n A 1 44 ARG 44 44 44 ARG ARG A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 GLU 46 46 46 GLU GLU A . n A 1 47 GLU 47 47 47 GLU GLU A . n A 1 48 PHE 48 48 48 PHE PHE A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 PHE 51 51 51 PHE PHE A . n A 1 52 ALA 52 52 52 ALA ALA A . n A 1 53 SER 53 53 53 SER SER A . n A 1 54 PHE 54 54 54 PHE PHE A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 ALA 56 56 56 ALA ALA A . n A 1 57 GLN 57 57 57 GLN GLN A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 ALA 59 59 59 ALA ALA A . n A 1 60 LEU 60 60 60 LEU LEU A . n A 1 61 ALA 61 61 61 ALA ALA A . n A 1 62 ASN 62 62 62 ASN ASN A . n A 1 63 ILE 63 63 63 ILE ILE A . n A 1 64 ALA 64 64 64 ALA ALA A . n A 1 65 VAL 65 65 65 VAL VAL A . n A 1 66 ASP 66 66 66 ASP ASP A . n A 1 67 LYS 67 67 67 LYS LYS A . n A 1 68 ALA 68 68 68 ALA ALA A . n A 1 69 ASN 69 69 69 ASN ASN A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 GLU 71 71 71 GLU GLU A . n A 1 72 ILE 72 72 72 ILE ILE A . n A 1 73 MET 73 73 73 MET MET A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 LYS 75 75 75 LYS LYS A . n A 1 76 ARG 76 76 76 ARG ARG A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 ASN 78 78 78 ASN ASN A . n A 1 79 TYR 79 79 79 TYR TYR A . n A 1 80 THR 80 80 80 THR THR A . n A 1 81 PRO 81 81 81 PRO PRO A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 THR 83 83 83 THR THR A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 PRO 87 87 87 PRO PRO A . n A 1 88 GLU 88 88 88 GLU GLU A . n A 1 89 VAL 89 89 89 VAL VAL A . n A 1 90 THR 90 90 90 THR THR A . n A 1 91 VAL 91 91 91 VAL VAL A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 THR 93 93 93 THR THR A . n A 1 94 ASN 94 94 94 ASN ASN A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 PRO 96 96 96 PRO PRO A . n A 1 97 VAL 97 97 97 VAL VAL A . n A 1 98 GLU 98 98 98 GLU GLU A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 ARG 100 100 100 ARG ARG A . n A 1 101 GLU 101 101 101 GLU GLU A . n A 1 102 PRO 102 102 102 PRO PRO A . n A 1 103 ASN 103 103 103 ASN ASN A . n A 1 104 VAL 104 104 104 VAL VAL A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 ILE 106 106 106 ILE ILE A . n A 1 107 CYS 107 107 107 CYS CYS A . n A 1 108 PHE 108 108 108 PHE PHE A . n A 1 109 ILE 109 109 109 ILE ILE A . n A 1 110 ASP 110 110 110 ASP ASP A . n A 1 111 LYS 111 111 111 LYS LYS A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 THR 113 113 113 THR THR A . n A 1 114 PRO 114 114 114 PRO PRO A . n A 1 115 PRO 115 115 115 PRO PRO A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 VAL 117 117 117 VAL VAL A . n A 1 118 ASN 118 118 118 ASN ASN A . n A 1 119 VAL 119 119 119 VAL VAL A . n A 1 120 THR 120 120 120 THR THR A . n A 1 121 TRP 121 121 121 TRP TRP A . n A 1 122 LEU 122 122 122 LEU LEU A . n A 1 123 ARG 123 123 123 ARG ARG A . n A 1 124 ASN 124 124 124 ASN ASN A . n A 1 125 GLY 125 125 125 GLY GLY A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 PRO 127 127 127 PRO PRO A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 THR 129 129 129 THR THR A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 GLY 131 131 131 GLY GLY A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 SER 133 133 133 SER SER A . n A 1 134 GLU 134 134 134 GLU GLU A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 PHE 137 137 137 PHE PHE A . n A 1 138 LEU 138 138 138 LEU LEU A . n A 1 139 PRO 139 139 139 PRO PRO A . n A 1 140 ARG 140 140 140 ARG ARG A . n A 1 141 GLU 141 141 141 GLU GLU A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 HIS 143 143 143 HIS HIS A . n A 1 144 LEU 144 144 144 LEU LEU A . n A 1 145 PHE 145 145 145 PHE PHE A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 LYS 147 147 147 LYS LYS A . n A 1 148 PHE 148 148 148 PHE PHE A . n A 1 149 HIS 149 149 149 HIS HIS A . n A 1 150 TYR 150 150 150 TYR TYR A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 PRO 152 152 152 PRO PRO A . n A 1 153 PHE 153 153 153 PHE PHE A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 PRO 155 155 155 PRO PRO A . n A 1 156 SER 156 156 156 SER SER A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 GLU 158 158 158 GLU GLU A . n A 1 159 ASP 159 159 159 ASP ASP A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 TYR 161 161 161 TYR TYR A . n A 1 162 ASP 162 162 162 ASP ASP A . n A 1 163 CYS 163 163 163 CYS CYS A . n A 1 164 ARG 164 164 164 ARG ARG A . n A 1 165 VAL 165 165 165 VAL VAL A . n A 1 166 GLU 166 166 166 GLU GLU A . n A 1 167 HIS 167 167 167 HIS HIS A . n A 1 168 TRP 168 168 168 TRP TRP A . n A 1 169 GLY 169 169 169 GLY GLY A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 ASP 171 171 171 ASP ASP A . n A 1 172 GLU 172 172 172 GLU GLU A . n A 1 173 PRO 173 173 173 PRO PRO A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 LYS 176 176 176 LYS LYS A . n A 1 177 HIS 177 177 177 HIS HIS A . n A 1 178 TRP 178 178 178 TRP TRP A . n A 1 179 GLU 179 179 179 GLU GLU A . n A 1 180 PHE 180 180 180 PHE PHE A . n A 1 181 ASP 181 181 181 ASP ASP A . n A 1 182 THR 182 182 ? ? ? A . n A 1 183 SER 183 183 ? ? ? A . n A 1 184 GLY 184 184 ? ? ? A . n A 1 185 ASP 185 185 ? ? ? A . n A 1 186 ASP 186 186 ? ? ? A . n A 1 187 ASP 187 187 ? ? ? A . n A 1 188 ASP 188 188 ? ? ? A . n A 1 189 LYS 189 189 ? ? ? A . n B 2 1 GLY 1 -1 ? ? ? B . n B 2 2 SER 2 0 ? ? ? B . n B 2 3 GLY 3 1 ? ? ? B . n B 2 4 ASP 4 2 2 ASP ASP B . n B 2 5 THR 5 3 3 THR THR B . n B 2 6 ARG 6 4 4 ARG ARG B . n B 2 7 PRO 7 5 5 PRO PRO B . n B 2 8 ARG 8 6 6 ARG ARG B . n B 2 9 PHE 9 7 7 PHE PHE B . n B 2 10 LEU 10 8 8 LEU LEU B . n B 2 11 GLU 11 9 9 GLU GLU B . n B 2 12 GLN 12 10 10 GLN GLN B . n B 2 13 VAL 13 11 11 VAL VAL B . n B 2 14 LYS 14 12 12 LYS LYS B . n B 2 15 HIS 15 13 13 HIS HIS B . n B 2 16 GLU 16 14 14 GLU GLU B . n B 2 17 CYS 17 15 15 CYS CYS B . n B 2 18 HIS 18 16 16 HIS HIS B . n B 2 19 PHE 19 17 17 PHE PHE B . n B 2 20 PHE 20 18 18 PHE PHE B . n B 2 21 ASN 21 19 19 ASN ASN B . n B 2 22 GLY 22 20 20 GLY GLY B . n B 2 23 THR 23 21 21 THR THR B . n B 2 24 GLU 24 22 22 GLU GLU B . n B 2 25 ARG 25 23 23 ARG ARG B . n B 2 26 VAL 26 24 24 VAL VAL B . n B 2 27 ARG 27 25 25 ARG ARG B . n B 2 28 PHE 28 26 26 PHE PHE B . n B 2 29 LEU 29 27 27 LEU LEU B . n B 2 30 ASP 30 28 28 ASP ASP B . n B 2 31 ARG 31 29 29 ARG ARG B . n B 2 32 TYR 32 30 30 TYR TYR B . n B 2 33 PHE 33 31 31 PHE PHE B . n B 2 34 TYR 34 32 32 TYR TYR B . n B 2 35 HIS 35 33 33 HIS HIS B . n B 2 36 GLN 36 34 34 GLN GLN B . n B 2 37 GLU 37 35 35 GLU GLU B . n B 2 38 GLU 38 36 36 GLU GLU B . n B 2 39 TYR 39 37 37 TYR TYR B . n B 2 40 VAL 40 38 38 VAL VAL B . n B 2 41 ARG 41 39 39 ARG ARG B . n B 2 42 PHE 42 40 40 PHE PHE B . n B 2 43 ASP 43 41 41 ASP ASP B . n B 2 44 SER 44 42 42 SER SER B . n B 2 45 ASP 45 43 43 ASP ASP B . n B 2 46 VAL 46 44 44 VAL VAL B . n B 2 47 GLY 47 45 45 GLY GLY B . n B 2 48 GLU 48 46 46 GLU GLU B . n B 2 49 TYR 49 47 47 TYR TYR B . n B 2 50 ARG 50 48 48 ARG ARG B . n B 2 51 ALA 51 49 49 ALA ALA B . n B 2 52 VAL 52 50 50 VAL VAL B . n B 2 53 THR 53 51 51 THR THR B . n B 2 54 GLU 54 52 52 GLU GLU B . n B 2 55 LEU 55 53 53 LEU LEU B . n B 2 56 GLY 56 54 54 GLY GLY B . n B 2 57 ARG 57 55 55 ARG ARG B . n B 2 58 PRO 58 56 56 PRO PRO B . n B 2 59 ASP 59 57 57 ASP ASP B . n B 2 60 ALA 60 58 58 ALA ALA B . n B 2 61 GLU 61 59 59 GLU GLU B . n B 2 62 TYR 62 60 60 TYR TYR B . n B 2 63 TRP 63 61 61 TRP TRP B . n B 2 64 ASN 64 62 62 ASN ASN B . n B 2 65 SER 65 63 63 SER SER B . n B 2 66 GLN 66 64 64 GLN GLN B . n B 2 67 LYS 67 65 65 LYS LYS B . n B 2 68 ASP 68 66 66 ASP ASP B . n B 2 69 ILE 69 67 67 ILE ILE B . n B 2 70 LEU 70 68 68 LEU LEU B . n B 2 71 GLU 71 69 69 GLU GLU B . n B 2 72 ASP 72 70 70 ASP ASP B . n B 2 73 GLU 73 71 71 GLU GLU B . n B 2 74 ARG 74 72 72 ARG ARG B . n B 2 75 ALA 75 73 73 ALA ALA B . n B 2 76 ALA 76 74 74 ALA ALA B . n B 2 77 VAL 77 75 75 VAL VAL B . n B 2 78 ASP 78 76 76 ASP ASP B . n B 2 79 THR 79 77 77 THR THR B . n B 2 80 TYR 80 78 78 TYR TYR B . n B 2 81 CYS 81 79 79 CYS CYS B . n B 2 82 ARG 82 80 80 ARG ARG B . n B 2 83 HIS 83 81 81 HIS HIS B . n B 2 84 ASN 84 82 82 ASN ASN B . n B 2 85 TYR 85 83 83 TYR TYR B . n B 2 86 GLY 86 84 84 GLY GLY B . n B 2 87 VAL 87 85 85 VAL VAL B . n B 2 88 VAL 88 86 86 VAL VAL B . n B 2 89 GLU 89 87 87 GLU GLU B . n B 2 90 SER 90 88 88 SER SER B . n B 2 91 PHE 91 89 89 PHE PHE B . n B 2 92 THR 92 90 90 THR THR B . n B 2 93 VAL 93 91 91 VAL VAL B . n B 2 94 GLN 94 92 92 GLN GLN B . n B 2 95 ARG 95 93 93 ARG ARG B . n B 2 96 ARG 96 94 94 ARG ARG B . n B 2 97 VAL 97 95 95 VAL VAL B . n B 2 98 TYR 98 96 96 TYR TYR B . n B 2 99 PRO 99 97 97 PRO PRO B . n B 2 100 GLU 100 98 98 GLU GLU B . n B 2 101 VAL 101 99 99 VAL VAL B . n B 2 102 THR 102 100 100 THR THR B . n B 2 103 VAL 103 101 101 VAL VAL B . n B 2 104 TYR 104 102 102 TYR TYR B . n B 2 105 PRO 105 103 103 PRO PRO B . n B 2 106 ALA 106 104 104 ALA ALA B . n B 2 107 LYS 107 105 105 LYS LYS B . n B 2 108 THR 108 106 106 THR THR B . n B 2 109 GLN 109 107 107 GLN GLN B . n B 2 110 PRO 110 108 108 PRO PRO B . n B 2 111 LEU 111 109 109 LEU LEU B . n B 2 112 GLN 112 110 110 GLN GLN B . n B 2 113 HIS 113 111 111 HIS HIS B . n B 2 114 HIS 114 112 112 HIS HIS B . n B 2 115 ASN 115 113 113 ASN ASN B . n B 2 116 LEU 116 114 114 LEU LEU B . n B 2 117 LEU 117 115 115 LEU LEU B . n B 2 118 VAL 118 116 116 VAL VAL B . n B 2 119 CYS 119 117 117 CYS CYS B . n B 2 120 SER 120 118 118 SER SER B . n B 2 121 VAL 121 119 119 VAL VAL B . n B 2 122 ASN 122 120 120 ASN ASN B . n B 2 123 GLY 123 121 121 GLY GLY B . n B 2 124 PHE 124 122 122 PHE PHE B . n B 2 125 TYR 125 123 123 TYR TYR B . n B 2 126 PRO 126 124 124 PRO PRO B . n B 2 127 GLY 127 125 125 GLY GLY B . n B 2 128 SER 128 126 126 SER SER B . n B 2 129 ILE 129 127 127 ILE ILE B . n B 2 130 GLU 130 128 128 GLU GLU B . n B 2 131 VAL 131 129 129 VAL VAL B . n B 2 132 ARG 132 130 130 ARG ARG B . n B 2 133 TRP 133 131 131 TRP TRP B . n B 2 134 PHE 134 132 132 PHE PHE B . n B 2 135 ARG 135 133 133 ARG ARG B . n B 2 136 ASN 136 134 134 ASN ASN B . n B 2 137 GLY 137 135 135 GLY GLY B . n B 2 138 GLN 138 136 136 GLN GLN B . n B 2 139 GLU 139 137 137 GLU GLU B . n B 2 140 GLU 140 138 138 GLU GLU B . n B 2 141 LYS 141 139 139 LYS LYS B . n B 2 142 THR 142 140 140 THR THR B . n B 2 143 GLY 143 141 141 GLY GLY B . n B 2 144 VAL 144 142 142 VAL VAL B . n B 2 145 VAL 145 143 143 VAL VAL B . n B 2 146 SER 146 144 144 SER SER B . n B 2 147 THR 147 145 145 THR THR B . n B 2 148 GLY 148 146 146 GLY GLY B . n B 2 149 LEU 149 147 147 LEU LEU B . n B 2 150 ILE 150 148 148 ILE ILE B . n B 2 151 GLN 151 149 149 GLN GLN B . n B 2 152 ASN 152 150 150 ASN ASN B . n B 2 153 GLY 153 151 151 GLY GLY B . n B 2 154 ASP 154 152 152 ASP ASP B . n B 2 155 TRP 155 153 153 TRP TRP B . n B 2 156 THR 156 154 154 THR THR B . n B 2 157 PHE 157 155 155 PHE PHE B . n B 2 158 GLN 158 156 156 GLN GLN B . n B 2 159 THR 159 157 157 THR THR B . n B 2 160 LEU 160 158 158 LEU LEU B . n B 2 161 VAL 161 159 159 VAL VAL B . n B 2 162 MET 162 160 160 MET MET B . n B 2 163 LEU 163 161 161 LEU LEU B . n B 2 164 GLU 164 162 162 GLU GLU B . n B 2 165 THR 165 163 163 THR THR B . n B 2 166 VAL 166 164 164 VAL VAL B . n B 2 167 PRO 167 165 165 PRO PRO B . n B 2 168 ARG 168 166 166 ARG ARG B . n B 2 169 SER 169 167 167 SER SER B . n B 2 170 GLY 170 168 168 GLY GLY B . n B 2 171 GLU 171 169 169 GLU GLU B . n B 2 172 VAL 172 170 170 VAL VAL B . n B 2 173 TYR 173 171 171 TYR TYR B . n B 2 174 THR 174 172 172 THR THR B . n B 2 175 CYS 175 173 173 CYS CYS B . n B 2 176 GLN 176 174 174 GLN GLN B . n B 2 177 VAL 177 175 175 VAL VAL B . n B 2 178 GLU 178 176 176 GLU GLU B . n B 2 179 HIS 179 177 177 HIS HIS B . n B 2 180 PRO 180 178 178 PRO PRO B . n B 2 181 SER 181 179 179 SER SER B . n B 2 182 LEU 182 180 180 LEU LEU B . n B 2 183 THR 183 181 181 THR THR B . n B 2 184 SER 184 182 182 SER SER B . n B 2 185 PRO 185 183 183 PRO PRO B . n B 2 186 LEU 186 184 184 LEU LEU B . n B 2 187 THR 187 185 185 THR THR B . n B 2 188 VAL 188 186 186 VAL VAL B . n B 2 189 GLU 189 187 187 GLU GLU B . n B 2 190 TRP 190 188 188 TRP TRP B . n B 2 191 ARG 191 189 189 ARG ARG B . n B 2 192 ALA 192 190 190 ALA ALA B . n B 2 193 THR 193 191 191 THR THR B . n B 2 194 GLY 194 192 192 GLY GLY B . n B 2 195 GLY 195 193 ? ? ? B . n B 2 196 ASP 196 194 ? ? ? B . n B 2 197 ASP 197 195 ? ? ? B . n B 2 198 ASP 198 196 ? ? ? B . n B 2 199 ASP 199 197 ? ? ? B . n B 2 200 LYS 200 198 ? ? ? B . n C 3 1 SER 1 1 1 SER SER C . n C 3 2 ALA 2 2 2 ALA ALA C . n C 3 3 VAL 3 3 3 VAL VAL C . n C 3 4 ARG 4 4 4 ARG ARG C . n C 3 5 LEU 5 5 5 LEU LEU C . n C 3 6 ARG 6 6 6 ARG ARG C . n C 3 7 SER 7 7 7 SER SER C . n C 3 8 SER 8 8 8 SER SER C . n C 3 9 VAL 9 9 9 VAL VAL C . n C 3 10 PRO 10 10 10 PRO PRO C . n C 3 11 GLY 11 11 11 GLY GLY C . n C 3 12 VAL 12 12 12 VAL VAL C . n C 3 13 ARG 13 13 13 ARG ARG C . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 78 A ASN 78 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 21 B ASN 19 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 118 A ASN 118 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 6950 ? 1 MORE -32 ? 1 'SSA (A^2)' 18310 ? # _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 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id B _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 807 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id J _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 2013-12-04 2 'Structure model' 1 1 2013-12-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -40.9813 -26.6376 -3.7663 0.0655 0.1053 0.0638 0.0017 0.0071 -0.0149 2.6252 7.7800 0.7105 0.2042 0.9031 0.1157 -0.0411 -0.1977 0.1257 0.2758 -0.0028 -0.1068 -0.0411 -0.0038 0.0333 'X-RAY DIFFRACTION' 2 ? refined -40.2287 -18.2978 5.9769 0.1391 0.1851 0.1295 0.0080 -0.0019 -0.0641 2.6021 4.2575 4.0165 -0.3402 -0.1699 0.3552 0.0852 -0.5874 0.3434 0.5043 -0.0593 0.2187 -0.1725 -0.0078 0.0041 'X-RAY DIFFRACTION' 3 ? refined -50.7871 -35.8908 -3.9729 0.0865 0.1384 0.1266 -0.0222 0.0213 0.0537 2.3576 6.2985 3.9527 -0.0368 -0.1630 3.2594 0.0031 -0.1528 -0.0867 0.3096 -0.0834 0.3799 0.3174 -0.3423 0.0974 'X-RAY DIFFRACTION' 4 ? refined -23.0184 -29.7276 -0.9110 0.1227 0.1002 0.0766 0.0116 -0.0238 0.0121 3.7810 2.5960 1.7041 2.1769 1.9022 1.1506 -0.2134 0.0702 0.1396 0.0338 0.1098 -0.0871 -0.1253 0.2048 0.0611 'X-RAY DIFFRACTION' 5 ? refined -26.7890 -31.8799 3.7293 0.1498 0.1196 0.0722 0.0101 -0.0182 0.0094 2.9978 0.6222 1.3349 -0.3044 1.6230 0.3442 -0.0946 -0.3483 -0.0035 0.2502 0.0588 -0.0847 -0.0543 -0.1789 0.0365 'X-RAY DIFFRACTION' 6 ? refined -17.8655 -31.9378 4.6990 0.1384 0.1177 0.1202 0.0020 -0.0299 0.0315 4.1396 2.7261 3.2352 1.2542 2.7834 1.3200 0.0562 0.0033 -0.2336 0.2447 0.0701 -0.4905 0.0610 0.1626 -0.1259 'X-RAY DIFFRACTION' 7 ? refined -44.6370 -27.3312 -14.2081 0.0773 0.0683 0.0790 -0.0014 0.0059 0.0184 1.4707 2.0112 1.2939 -0.0081 0.2959 -0.1346 -0.0257 0.0652 0.1672 -0.1346 -0.0631 -0.1254 -0.0267 0.0552 0.0785 'X-RAY DIFFRACTION' 8 ? refined -53.0863 -21.4171 -12.7163 0.0946 0.0718 0.0980 0.0044 0.0068 0.0296 3.1352 2.7009 2.3874 1.1102 1.2008 1.5203 -0.0850 -0.0586 0.2444 -0.0620 -0.0172 0.1205 0.0208 -0.1374 0.1002 'X-RAY DIFFRACTION' 9 ? refined -12.4464 -11.5677 -5.7105 0.1332 0.1303 0.1446 0.0162 -0.0489 -0.0492 4.0116 1.1543 1.0002 0.3401 -1.3117 0.3506 -0.0467 -0.2252 0.0810 -0.0254 0.1178 -0.0195 0.1150 0.1629 -0.0785 'X-RAY DIFFRACTION' 10 ? refined -9.9783 -9.3567 -8.6190 0.0942 0.1191 0.1738 -0.0061 -0.0171 -0.0356 1.7444 0.6923 1.1204 -0.2318 -0.7918 0.0436 0.0361 -0.0911 0.3127 -0.0485 0.0524 -0.1470 -0.0522 0.1747 -0.0731 'X-RAY DIFFRACTION' 11 ? refined -53.4080 -25.0001 -5.4303 0.0822 0.1467 0.1294 -0.0079 0.0159 0.0067 3.2521 2.0486 3.9931 0.2415 0.6691 1.6042 0.0773 -0.2296 0.1805 0.1419 -0.1535 0.2456 0.1219 -0.3064 0.1295 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 3 through 26 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 27 through 55 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 56 through 76 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 77 through 112 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 113 through 144 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 145 through 181 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 2 through 51 ) ; 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 52 through 89 ) ; 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 90 through 133 ) ; 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 134 through 192 ) ; 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 1 through 13 ) ; # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal Blu-Ice 'data collection' . ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.8.1_1168)' ? 3 MOSFLM 'data reduction' . ? 4 SCALA 'data scaling' . ? 5 # 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 HIS B 33 ? ? 57.64 -114.34 2 1 THR B 90 ? ? -122.63 -73.90 3 1 PRO B 124 ? ? -77.94 -168.76 # 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 A ILE 1 ? A ILE 1 2 1 Y 1 A LYS 2 ? A LYS 2 3 1 Y 1 A THR 182 ? A THR 182 4 1 Y 1 A SER 183 ? A SER 183 5 1 Y 1 A GLY 184 ? A GLY 184 6 1 Y 1 A ASP 185 ? A ASP 185 7 1 Y 1 A ASP 186 ? A ASP 186 8 1 Y 1 A ASP 187 ? A ASP 187 9 1 Y 1 A ASP 188 ? A ASP 188 10 1 Y 1 A LYS 189 ? A LYS 189 11 1 Y 1 B GLY -1 ? B GLY 1 12 1 Y 1 B SER 0 ? B SER 2 13 1 Y 1 B GLY 1 ? B GLY 3 14 1 Y 1 B GLY 193 ? B GLY 195 15 1 Y 1 B ASP 194 ? B ASP 196 16 1 Y 1 B ASP 195 ? B ASP 197 17 1 Y 1 B ASP 196 ? B ASP 198 18 1 Y 1 B ASP 197 ? B ASP 199 19 1 Y 1 B LYS 198 ? B LYS 200 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 1,2-ETHANEDIOL EDO 6 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NAG 1 500 500 NAG NAG A . E 4 NAG 1 501 501 NAG NAG A . F 4 NAG 2 502 502 NAG NAG A . G 4 NAG 1 500 500 NAG NAG B . H 5 EDO 1 101 1 EDO EDO C . I 6 HOH 1 601 2 HOH HOH A . I 6 HOH 2 602 3 HOH HOH A . I 6 HOH 3 603 6 HOH HOH A . I 6 HOH 4 604 10 HOH HOH A . I 6 HOH 5 605 12 HOH HOH A . I 6 HOH 6 606 13 HOH HOH A . I 6 HOH 7 607 14 HOH HOH A . I 6 HOH 8 608 16 HOH HOH A . I 6 HOH 9 609 17 HOH HOH A . I 6 HOH 10 610 21 HOH HOH A . I 6 HOH 11 611 22 HOH HOH A . I 6 HOH 12 612 25 HOH HOH A . I 6 HOH 13 613 28 HOH HOH A . I 6 HOH 14 614 30 HOH HOH A . I 6 HOH 15 615 32 HOH HOH A . I 6 HOH 16 616 34 HOH HOH A . I 6 HOH 17 617 36 HOH HOH A . I 6 HOH 18 618 41 HOH HOH A . I 6 HOH 19 619 42 HOH HOH A . I 6 HOH 20 620 44 HOH HOH A . I 6 HOH 21 621 45 HOH HOH A . I 6 HOH 22 622 46 HOH HOH A . I 6 HOH 23 623 48 HOH HOH A . I 6 HOH 24 624 49 HOH HOH A . I 6 HOH 25 625 50 HOH HOH A . I 6 HOH 26 626 52 HOH HOH A . I 6 HOH 27 627 54 HOH HOH A . I 6 HOH 28 628 55 HOH HOH A . I 6 HOH 29 629 56 HOH HOH A . I 6 HOH 30 630 59 HOH HOH A . I 6 HOH 31 631 60 HOH HOH A . I 6 HOH 32 632 63 HOH HOH A . I 6 HOH 33 633 64 HOH HOH A . I 6 HOH 34 634 67 HOH HOH A . I 6 HOH 35 635 68 HOH HOH A . I 6 HOH 36 636 70 HOH HOH A . I 6 HOH 37 637 72 HOH HOH A . I 6 HOH 38 638 73 HOH HOH A . I 6 HOH 39 639 74 HOH HOH A . I 6 HOH 40 640 77 HOH HOH A . I 6 HOH 41 641 78 HOH HOH A . I 6 HOH 42 642 82 HOH HOH A . I 6 HOH 43 643 84 HOH HOH A . I 6 HOH 44 644 90 HOH HOH A . I 6 HOH 45 645 94 HOH HOH A . I 6 HOH 46 646 97 HOH HOH A . I 6 HOH 47 647 98 HOH HOH A . I 6 HOH 48 648 99 HOH HOH A . I 6 HOH 49 649 103 HOH HOH A . I 6 HOH 50 650 106 HOH HOH A . I 6 HOH 51 651 110 HOH HOH A . I 6 HOH 52 652 112 HOH HOH A . I 6 HOH 53 653 115 HOH HOH A . I 6 HOH 54 654 116 HOH HOH A . I 6 HOH 55 655 118 HOH HOH A . I 6 HOH 56 656 119 HOH HOH A . I 6 HOH 57 657 120 HOH HOH A . I 6 HOH 58 658 123 HOH HOH A . I 6 HOH 59 659 124 HOH HOH A . I 6 HOH 60 660 130 HOH HOH A . I 6 HOH 61 661 134 HOH HOH A . I 6 HOH 62 662 136 HOH HOH A . I 6 HOH 63 663 137 HOH HOH A . I 6 HOH 64 664 140 HOH HOH A . I 6 HOH 65 665 144 HOH HOH A . I 6 HOH 66 666 149 HOH HOH A . I 6 HOH 67 667 151 HOH HOH A . I 6 HOH 68 668 152 HOH HOH A . I 6 HOH 69 669 153 HOH HOH A . I 6 HOH 70 670 154 HOH HOH A . I 6 HOH 71 671 155 HOH HOH A . I 6 HOH 72 672 159 HOH HOH A . I 6 HOH 73 673 161 HOH HOH A . I 6 HOH 74 674 163 HOH HOH A . I 6 HOH 75 675 165 HOH HOH A . I 6 HOH 76 676 167 HOH HOH A . I 6 HOH 77 677 168 HOH HOH A . I 6 HOH 78 678 173 HOH HOH A . I 6 HOH 79 679 175 HOH HOH A . I 6 HOH 80 680 185 HOH HOH A . I 6 HOH 81 681 186 HOH HOH A . I 6 HOH 82 682 187 HOH HOH A . I 6 HOH 83 683 190 HOH HOH A . I 6 HOH 84 684 191 HOH HOH A . I 6 HOH 85 685 192 HOH HOH A . I 6 HOH 86 686 194 HOH HOH A . I 6 HOH 87 687 196 HOH HOH A . I 6 HOH 88 688 198 HOH HOH A . I 6 HOH 89 689 200 HOH HOH A . I 6 HOH 90 690 203 HOH HOH A . I 6 HOH 91 691 207 HOH HOH A . I 6 HOH 92 692 208 HOH HOH A . I 6 HOH 93 693 209 HOH HOH A . I 6 HOH 94 694 212 HOH HOH A . I 6 HOH 95 695 215 HOH HOH A . I 6 HOH 96 696 216 HOH HOH A . I 6 HOH 97 697 217 HOH HOH A . I 6 HOH 98 698 221 HOH HOH A . I 6 HOH 99 699 222 HOH HOH A . I 6 HOH 100 700 224 HOH HOH A . I 6 HOH 101 701 226 HOH HOH A . I 6 HOH 102 702 229 HOH HOH A . I 6 HOH 103 703 231 HOH HOH A . I 6 HOH 104 704 232 HOH HOH A . I 6 HOH 105 705 233 HOH HOH A . I 6 HOH 106 706 234 HOH HOH A . I 6 HOH 107 707 236 HOH HOH A . I 6 HOH 108 708 237 HOH HOH A . I 6 HOH 109 709 245 HOH HOH A . I 6 HOH 110 710 247 HOH HOH A . I 6 HOH 111 711 250 HOH HOH A . I 6 HOH 112 712 253 HOH HOH A . I 6 HOH 113 713 254 HOH HOH A . I 6 HOH 114 714 255 HOH HOH A . I 6 HOH 115 715 256 HOH HOH A . I 6 HOH 116 716 257 HOH HOH A . I 6 HOH 117 717 261 HOH HOH A . I 6 HOH 118 718 262 HOH HOH A . I 6 HOH 119 719 263 HOH HOH A . I 6 HOH 120 720 270 HOH HOH A . I 6 HOH 121 721 271 HOH HOH A . I 6 HOH 122 722 273 HOH HOH A . I 6 HOH 123 723 274 HOH HOH A . I 6 HOH 124 724 276 HOH HOH A . I 6 HOH 125 725 277 HOH HOH A . I 6 HOH 126 726 278 HOH HOH A . I 6 HOH 127 727 280 HOH HOH A . I 6 HOH 128 728 284 HOH HOH A . I 6 HOH 129 729 286 HOH HOH A . I 6 HOH 130 730 289 HOH HOH A . I 6 HOH 131 731 290 HOH HOH A . I 6 HOH 132 732 293 HOH HOH A . I 6 HOH 133 733 294 HOH HOH A . I 6 HOH 134 734 295 HOH HOH A . I 6 HOH 135 735 299 HOH HOH A . I 6 HOH 136 736 300 HOH HOH A . I 6 HOH 137 737 302 HOH HOH A . I 6 HOH 138 738 303 HOH HOH A . I 6 HOH 139 739 305 HOH HOH A . I 6 HOH 140 740 306 HOH HOH A . I 6 HOH 141 741 309 HOH HOH A . I 6 HOH 142 742 317 HOH HOH A . I 6 HOH 143 743 319 HOH HOH A . I 6 HOH 144 744 320 HOH HOH A . I 6 HOH 145 745 321 HOH HOH A . I 6 HOH 146 746 323 HOH HOH A . I 6 HOH 147 747 324 HOH HOH A . I 6 HOH 148 748 325 HOH HOH A . I 6 HOH 149 749 326 HOH HOH A . I 6 HOH 150 750 327 HOH HOH A . I 6 HOH 151 751 331 HOH HOH A . I 6 HOH 152 752 332 HOH HOH A . I 6 HOH 153 753 333 HOH HOH A . I 6 HOH 154 754 338 HOH HOH A . I 6 HOH 155 755 339 HOH HOH A . I 6 HOH 156 756 340 HOH HOH A . I 6 HOH 157 757 341 HOH HOH A . I 6 HOH 158 758 344 HOH HOH A . I 6 HOH 159 759 346 HOH HOH A . I 6 HOH 160 760 347 HOH HOH A . I 6 HOH 161 761 350 HOH HOH A . I 6 HOH 162 762 351 HOH HOH A . I 6 HOH 163 763 353 HOH HOH A . I 6 HOH 164 764 354 HOH HOH A . I 6 HOH 165 765 358 HOH HOH A . I 6 HOH 166 766 359 HOH HOH A . I 6 HOH 167 767 361 HOH HOH A . I 6 HOH 168 768 364 HOH HOH A . I 6 HOH 169 769 366 HOH HOH A . I 6 HOH 170 770 370 HOH HOH A . I 6 HOH 171 771 371 HOH HOH A . I 6 HOH 172 772 374 HOH HOH A . I 6 HOH 173 773 375 HOH HOH A . I 6 HOH 174 774 378 HOH HOH A . I 6 HOH 175 775 380 HOH HOH A . I 6 HOH 176 776 384 HOH HOH A . I 6 HOH 177 777 385 HOH HOH A . I 6 HOH 178 778 387 HOH HOH A . I 6 HOH 179 779 389 HOH HOH A . I 6 HOH 180 780 390 HOH HOH A . I 6 HOH 181 781 391 HOH HOH A . I 6 HOH 182 782 396 HOH HOH A . I 6 HOH 183 783 397 HOH HOH A . I 6 HOH 184 784 405 HOH HOH A . I 6 HOH 185 785 406 HOH HOH A . I 6 HOH 186 786 408 HOH HOH A . I 6 HOH 187 787 409 HOH HOH A . I 6 HOH 188 788 411 HOH HOH A . I 6 HOH 189 789 414 HOH HOH A . I 6 HOH 190 790 419 HOH HOH A . I 6 HOH 191 791 422 HOH HOH A . I 6 HOH 192 792 423 HOH HOH A . I 6 HOH 193 793 424 HOH HOH A . I 6 HOH 194 794 425 HOH HOH A . I 6 HOH 195 795 428 HOH HOH A . I 6 HOH 196 796 430 HOH HOH A . I 6 HOH 197 797 432 HOH HOH A . I 6 HOH 198 798 444 HOH HOH A . I 6 HOH 199 799 447 HOH HOH A . I 6 HOH 200 800 449 HOH HOH A . I 6 HOH 201 801 452 HOH HOH A . I 6 HOH 202 802 454 HOH HOH A . I 6 HOH 203 803 460 HOH HOH A . I 6 HOH 204 804 461 HOH HOH A . I 6 HOH 205 805 463 HOH HOH A . I 6 HOH 206 806 464 HOH HOH A . I 6 HOH 207 807 467 HOH HOH A . I 6 HOH 208 808 469 HOH HOH A . I 6 HOH 209 809 470 HOH HOH A . I 6 HOH 210 810 472 HOH HOH A . I 6 HOH 211 811 475 HOH HOH A . I 6 HOH 212 812 478 HOH HOH A . I 6 HOH 213 813 480 HOH HOH A . I 6 HOH 214 814 481 HOH HOH A . I 6 HOH 215 815 483 HOH HOH A . I 6 HOH 216 816 484 HOH HOH A . I 6 HOH 217 817 485 HOH HOH A . I 6 HOH 218 818 488 HOH HOH A . I 6 HOH 219 819 490 HOH HOH A . I 6 HOH 220 820 494 HOH HOH A . I 6 HOH 221 821 496 HOH HOH A . I 6 HOH 222 822 497 HOH HOH A . I 6 HOH 223 823 501 HOH HOH A . I 6 HOH 224 824 503 HOH HOH A . I 6 HOH 225 825 504 HOH HOH A . I 6 HOH 226 826 505 HOH HOH A . I 6 HOH 227 827 507 HOH HOH A . I 6 HOH 228 828 512 HOH HOH A . I 6 HOH 229 829 517 HOH HOH A . I 6 HOH 230 830 518 HOH HOH A . I 6 HOH 231 831 520 HOH HOH A . I 6 HOH 232 832 523 HOH HOH A . I 6 HOH 233 833 524 HOH HOH A . I 6 HOH 234 834 525 HOH HOH A . I 6 HOH 235 835 528 HOH HOH A . I 6 HOH 236 836 530 HOH HOH A . I 6 HOH 237 837 534 HOH HOH A . I 6 HOH 238 838 535 HOH HOH A . I 6 HOH 239 839 538 HOH HOH A . I 6 HOH 240 840 539 HOH HOH A . I 6 HOH 241 841 540 HOH HOH A . I 6 HOH 242 842 541 HOH HOH A . I 6 HOH 243 843 543 HOH HOH A . I 6 HOH 244 844 545 HOH HOH A . I 6 HOH 245 845 547 HOH HOH A . I 6 HOH 246 846 548 HOH HOH A . I 6 HOH 247 847 551 HOH HOH A . I 6 HOH 248 848 552 HOH HOH A . I 6 HOH 249 849 553 HOH HOH A . I 6 HOH 250 850 556 HOH HOH A . I 6 HOH 251 851 558 HOH HOH A . I 6 HOH 252 852 563 HOH HOH A . I 6 HOH 253 853 564 HOH HOH A . I 6 HOH 254 854 565 HOH HOH A . J 6 HOH 1 601 1 HOH HOH B . J 6 HOH 2 602 4 HOH HOH B . J 6 HOH 3 603 5 HOH HOH B . J 6 HOH 4 604 7 HOH HOH B . J 6 HOH 5 605 8 HOH HOH B . J 6 HOH 6 606 9 HOH HOH B . J 6 HOH 7 607 11 HOH HOH B . J 6 HOH 8 608 15 HOH HOH B . J 6 HOH 9 609 18 HOH HOH B . J 6 HOH 10 610 19 HOH HOH B . J 6 HOH 11 611 20 HOH HOH B . J 6 HOH 12 612 23 HOH HOH B . J 6 HOH 13 613 24 HOH HOH B . J 6 HOH 14 614 26 HOH HOH B . J 6 HOH 15 615 27 HOH HOH B . J 6 HOH 16 616 29 HOH HOH B . J 6 HOH 17 617 31 HOH HOH B . J 6 HOH 18 618 33 HOH HOH B . J 6 HOH 19 619 35 HOH HOH B . J 6 HOH 20 620 37 HOH HOH B . J 6 HOH 21 621 38 HOH HOH B . J 6 HOH 22 622 39 HOH HOH B . J 6 HOH 23 623 40 HOH HOH B . J 6 HOH 24 624 43 HOH HOH B . J 6 HOH 25 625 47 HOH HOH B . J 6 HOH 26 626 51 HOH HOH B . J 6 HOH 27 627 53 HOH HOH B . J 6 HOH 28 628 57 HOH HOH B . J 6 HOH 29 629 58 HOH HOH B . J 6 HOH 30 630 61 HOH HOH B . J 6 HOH 31 631 62 HOH HOH B . J 6 HOH 32 632 65 HOH HOH B . J 6 HOH 33 633 66 HOH HOH B . J 6 HOH 34 634 69 HOH HOH B . J 6 HOH 35 635 71 HOH HOH B . J 6 HOH 36 636 75 HOH HOH B . J 6 HOH 37 637 76 HOH HOH B . J 6 HOH 38 638 79 HOH HOH B . J 6 HOH 39 639 80 HOH HOH B . J 6 HOH 40 640 81 HOH HOH B . J 6 HOH 41 641 83 HOH HOH B . J 6 HOH 42 642 85 HOH HOH B . J 6 HOH 43 643 86 HOH HOH B . J 6 HOH 44 644 87 HOH HOH B . J 6 HOH 45 645 88 HOH HOH B . J 6 HOH 46 646 91 HOH HOH B . J 6 HOH 47 647 93 HOH HOH B . J 6 HOH 48 648 95 HOH HOH B . J 6 HOH 49 649 96 HOH HOH B . J 6 HOH 50 650 100 HOH HOH B . J 6 HOH 51 651 101 HOH HOH B . J 6 HOH 52 652 102 HOH HOH B . J 6 HOH 53 653 104 HOH HOH B . J 6 HOH 54 654 105 HOH HOH B . J 6 HOH 55 655 107 HOH HOH B . J 6 HOH 56 656 108 HOH HOH B . J 6 HOH 57 657 109 HOH HOH B . J 6 HOH 58 658 111 HOH HOH B . J 6 HOH 59 659 113 HOH HOH B . J 6 HOH 60 660 114 HOH HOH B . J 6 HOH 61 661 122 HOH HOH B . J 6 HOH 62 662 125 HOH HOH B . J 6 HOH 63 663 126 HOH HOH B . J 6 HOH 64 664 127 HOH HOH B . J 6 HOH 65 665 128 HOH HOH B . J 6 HOH 66 666 129 HOH HOH B . J 6 HOH 67 667 131 HOH HOH B . J 6 HOH 68 668 133 HOH HOH B . J 6 HOH 69 669 135 HOH HOH B . J 6 HOH 70 670 138 HOH HOH B . J 6 HOH 71 671 139 HOH HOH B . J 6 HOH 72 672 141 HOH HOH B . J 6 HOH 73 673 142 HOH HOH B . J 6 HOH 74 674 143 HOH HOH B . J 6 HOH 75 675 145 HOH HOH B . J 6 HOH 76 676 146 HOH HOH B . J 6 HOH 77 677 147 HOH HOH B . J 6 HOH 78 678 148 HOH HOH B . J 6 HOH 79 679 150 HOH HOH B . J 6 HOH 80 680 156 HOH HOH B . J 6 HOH 81 681 157 HOH HOH B . J 6 HOH 82 682 158 HOH HOH B . J 6 HOH 83 683 160 HOH HOH B . J 6 HOH 84 684 162 HOH HOH B . J 6 HOH 85 685 164 HOH HOH B . J 6 HOH 86 686 166 HOH HOH B . J 6 HOH 87 687 170 HOH HOH B . J 6 HOH 88 688 171 HOH HOH B . J 6 HOH 89 689 172 HOH HOH B . J 6 HOH 90 690 177 HOH HOH B . J 6 HOH 91 691 178 HOH HOH B . J 6 HOH 92 692 179 HOH HOH B . J 6 HOH 93 693 180 HOH HOH B . J 6 HOH 94 694 181 HOH HOH B . J 6 HOH 95 695 182 HOH HOH B . J 6 HOH 96 696 183 HOH HOH B . J 6 HOH 97 697 184 HOH HOH B . J 6 HOH 98 698 188 HOH HOH B . J 6 HOH 99 699 189 HOH HOH B . J 6 HOH 100 700 193 HOH HOH B . J 6 HOH 101 701 195 HOH HOH B . J 6 HOH 102 702 197 HOH HOH B . J 6 HOH 103 703 201 HOH HOH B . J 6 HOH 104 704 202 HOH HOH B . J 6 HOH 105 705 204 HOH HOH B . J 6 HOH 106 706 205 HOH HOH B . J 6 HOH 107 707 206 HOH HOH B . J 6 HOH 108 708 210 HOH HOH B . J 6 HOH 109 709 211 HOH HOH B . J 6 HOH 110 710 213 HOH HOH B . J 6 HOH 111 711 214 HOH HOH B . J 6 HOH 112 712 218 HOH HOH B . J 6 HOH 113 713 219 HOH HOH B . J 6 HOH 114 714 220 HOH HOH B . J 6 HOH 115 715 223 HOH HOH B . J 6 HOH 116 716 225 HOH HOH B . J 6 HOH 117 717 227 HOH HOH B . J 6 HOH 118 718 228 HOH HOH B . J 6 HOH 119 719 230 HOH HOH B . J 6 HOH 120 720 235 HOH HOH B . J 6 HOH 121 721 238 HOH HOH B . J 6 HOH 122 722 239 HOH HOH B . J 6 HOH 123 723 240 HOH HOH B . J 6 HOH 124 724 241 HOH HOH B . J 6 HOH 125 725 242 HOH HOH B . J 6 HOH 126 726 243 HOH HOH B . J 6 HOH 127 727 244 HOH HOH B . J 6 HOH 128 728 246 HOH HOH B . J 6 HOH 129 729 249 HOH HOH B . J 6 HOH 130 730 251 HOH HOH B . J 6 HOH 131 731 252 HOH HOH B . J 6 HOH 132 732 258 HOH HOH B . J 6 HOH 133 733 259 HOH HOH B . J 6 HOH 134 734 260 HOH HOH B . J 6 HOH 135 735 264 HOH HOH B . J 6 HOH 136 736 265 HOH HOH B . J 6 HOH 137 737 266 HOH HOH B . J 6 HOH 138 738 267 HOH HOH B . J 6 HOH 139 739 268 HOH HOH B . J 6 HOH 140 740 272 HOH HOH B . J 6 HOH 141 741 275 HOH HOH B . J 6 HOH 142 742 279 HOH HOH B . J 6 HOH 143 743 281 HOH HOH B . J 6 HOH 144 744 282 HOH HOH B . J 6 HOH 145 745 283 HOH HOH B . J 6 HOH 146 746 287 HOH HOH B . J 6 HOH 147 747 288 HOH HOH B . J 6 HOH 148 748 291 HOH HOH B . J 6 HOH 149 749 292 HOH HOH B . J 6 HOH 150 750 296 HOH HOH B . J 6 HOH 151 751 297 HOH HOH B . J 6 HOH 152 752 298 HOH HOH B . J 6 HOH 153 753 301 HOH HOH B . J 6 HOH 154 754 304 HOH HOH B . J 6 HOH 155 755 307 HOH HOH B . J 6 HOH 156 756 308 HOH HOH B . J 6 HOH 157 757 310 HOH HOH B . J 6 HOH 158 758 311 HOH HOH B . J 6 HOH 159 759 312 HOH HOH B . J 6 HOH 160 760 313 HOH HOH B . J 6 HOH 161 761 314 HOH HOH B . J 6 HOH 162 762 315 HOH HOH B . J 6 HOH 163 763 322 HOH HOH B . J 6 HOH 164 764 328 HOH HOH B . J 6 HOH 165 765 330 HOH HOH B . J 6 HOH 166 766 336 HOH HOH B . J 6 HOH 167 767 337 HOH HOH B . J 6 HOH 168 768 342 HOH HOH B . J 6 HOH 169 769 345 HOH HOH B . J 6 HOH 170 770 348 HOH HOH B . J 6 HOH 171 771 349 HOH HOH B . J 6 HOH 172 772 355 HOH HOH B . J 6 HOH 173 773 356 HOH HOH B . J 6 HOH 174 774 357 HOH HOH B . J 6 HOH 175 775 360 HOH HOH B . J 6 HOH 176 776 362 HOH HOH B . J 6 HOH 177 777 363 HOH HOH B . J 6 HOH 178 778 365 HOH HOH B . J 6 HOH 179 779 368 HOH HOH B . J 6 HOH 180 780 369 HOH HOH B . J 6 HOH 181 781 372 HOH HOH B . J 6 HOH 182 782 373 HOH HOH B . J 6 HOH 183 783 376 HOH HOH B . J 6 HOH 184 784 377 HOH HOH B . J 6 HOH 185 785 379 HOH HOH B . J 6 HOH 186 786 381 HOH HOH B . J 6 HOH 187 787 382 HOH HOH B . J 6 HOH 188 788 383 HOH HOH B . J 6 HOH 189 789 386 HOH HOH B . J 6 HOH 190 790 388 HOH HOH B . J 6 HOH 191 791 392 HOH HOH B . J 6 HOH 192 792 394 HOH HOH B . J 6 HOH 193 793 395 HOH HOH B . J 6 HOH 194 794 399 HOH HOH B . J 6 HOH 195 795 400 HOH HOH B . J 6 HOH 196 796 401 HOH HOH B . J 6 HOH 197 797 403 HOH HOH B . J 6 HOH 198 798 407 HOH HOH B . J 6 HOH 199 799 410 HOH HOH B . J 6 HOH 200 800 412 HOH HOH B . J 6 HOH 201 801 413 HOH HOH B . J 6 HOH 202 802 418 HOH HOH B . J 6 HOH 203 803 420 HOH HOH B . J 6 HOH 204 804 426 HOH HOH B . J 6 HOH 205 805 431 HOH HOH B . J 6 HOH 206 806 434 HOH HOH B . J 6 HOH 207 807 435 HOH HOH B . J 6 HOH 208 808 438 HOH HOH B . J 6 HOH 209 809 439 HOH HOH B . J 6 HOH 210 810 442 HOH HOH B . J 6 HOH 211 811 445 HOH HOH B . J 6 HOH 212 812 446 HOH HOH B . J 6 HOH 213 813 450 HOH HOH B . J 6 HOH 214 814 451 HOH HOH B . J 6 HOH 215 815 456 HOH HOH B . J 6 HOH 216 816 457 HOH HOH B . J 6 HOH 217 817 458 HOH HOH B . J 6 HOH 218 818 459 HOH HOH B . J 6 HOH 219 819 462 HOH HOH B . J 6 HOH 220 820 465 HOH HOH B . J 6 HOH 221 821 468 HOH HOH B . J 6 HOH 222 822 473 HOH HOH B . J 6 HOH 223 823 477 HOH HOH B . J 6 HOH 224 824 479 HOH HOH B . J 6 HOH 225 825 486 HOH HOH B . J 6 HOH 226 826 487 HOH HOH B . J 6 HOH 227 827 500 HOH HOH B . J 6 HOH 228 828 506 HOH HOH B . J 6 HOH 229 829 508 HOH HOH B . J 6 HOH 230 830 509 HOH HOH B . J 6 HOH 231 831 510 HOH HOH B . J 6 HOH 232 832 511 HOH HOH B . J 6 HOH 233 833 513 HOH HOH B . J 6 HOH 234 834 514 HOH HOH B . J 6 HOH 235 835 515 HOH HOH B . J 6 HOH 236 836 519 HOH HOH B . J 6 HOH 237 837 521 HOH HOH B . J 6 HOH 238 838 522 HOH HOH B . J 6 HOH 239 839 526 HOH HOH B . J 6 HOH 240 840 529 HOH HOH B . J 6 HOH 241 841 531 HOH HOH B . J 6 HOH 242 842 532 HOH HOH B . J 6 HOH 243 843 536 HOH HOH B . J 6 HOH 244 844 537 HOH HOH B . J 6 HOH 245 845 542 HOH HOH B . J 6 HOH 246 846 544 HOH HOH B . J 6 HOH 247 847 546 HOH HOH B . J 6 HOH 248 848 549 HOH HOH B . J 6 HOH 249 849 554 HOH HOH B . J 6 HOH 250 850 555 HOH HOH B . J 6 HOH 251 851 557 HOH HOH B . J 6 HOH 252 852 559 HOH HOH B . J 6 HOH 253 853 562 HOH HOH B . K 6 HOH 1 201 89 HOH HOH C . K 6 HOH 2 202 92 HOH HOH C . K 6 HOH 3 203 117 HOH HOH C . K 6 HOH 4 204 121 HOH HOH C . K 6 HOH 5 205 132 HOH HOH C . K 6 HOH 6 206 169 HOH HOH C . K 6 HOH 7 207 174 HOH HOH C . K 6 HOH 8 208 176 HOH HOH C . K 6 HOH 9 209 199 HOH HOH C . K 6 HOH 10 210 248 HOH HOH C . K 6 HOH 11 211 269 HOH HOH C . K 6 HOH 12 212 316 HOH HOH C . K 6 HOH 13 213 318 HOH HOH C . K 6 HOH 14 214 329 HOH HOH C . K 6 HOH 15 215 402 HOH HOH C . K 6 HOH 16 216 427 HOH HOH C . K 6 HOH 17 217 429 HOH HOH C . K 6 HOH 18 218 436 HOH HOH C . K 6 HOH 19 219 440 HOH HOH C . K 6 HOH 20 220 443 HOH HOH C . K 6 HOH 21 221 474 HOH HOH C . K 6 HOH 22 222 482 HOH HOH C . K 6 HOH 23 223 493 HOH HOH C . K 6 HOH 24 224 495 HOH HOH C . K 6 HOH 25 225 516 HOH HOH C . K 6 HOH 26 226 527 HOH HOH C . K 6 HOH 27 227 533 HOH HOH C . K 6 HOH 28 228 561 HOH HOH C . #