diff --git "a/structures/2pxe.cif" "b/structures/2pxe.cif" new file mode 100644--- /dev/null +++ "b/structures/2pxe.cif" @@ -0,0 +1,4217 @@ +data_2PXE +# +_entry.id 2PXE +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.399 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 2PXE pdb_00002pxe 10.2210/pdb2pxe/pdb +NDB PR0276 ? ? +RCSB RCSB042885 ? ? +WWPDB D_1000042885 ? ? +# +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 2007-08-07 +2 'Structure model' 1 1 2011-07-13 +3 'Structure model' 1 2 2021-10-20 +4 'Structure model' 1 3 2023-08-30 +5 'Structure model' 1 4 2023-11-15 +6 'Structure model' 1 5 2024-11-20 +# +_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_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Database references' +3 3 'Structure model' 'Derived calculations' +4 4 'Structure model' 'Data collection' +5 4 'Structure model' 'Refinement description' +6 5 'Structure model' 'Data collection' +7 6 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 3 'Structure model' database_2 +2 3 'Structure model' struct_conn +3 3 'Structure model' struct_ref_seq_dif +4 3 'Structure model' struct_site +5 4 'Structure model' chem_comp_atom +6 4 'Structure model' chem_comp_bond +7 4 'Structure model' pdbx_initial_refinement_model +8 5 'Structure model' chem_comp_atom +9 5 'Structure model' chem_comp_bond +10 6 'Structure model' pdbx_entry_details +11 6 'Structure model' pdbx_modification_feature +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 3 'Structure model' '_database_2.pdbx_DOI' +2 3 'Structure model' '_database_2.pdbx_database_accession' +3 3 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +4 3 'Structure model' '_struct_ref_seq_dif.details' +5 3 'Structure model' '_struct_site.pdbx_auth_asym_id' +6 3 'Structure model' '_struct_site.pdbx_auth_comp_id' +7 3 'Structure model' '_struct_site.pdbx_auth_seq_id' +8 5 'Structure model' '_chem_comp_atom.atom_id' +9 5 'Structure model' '_chem_comp_bond.atom_id_2' +# +_pdbx_database_status.entry_id 2PXE +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.recvd_initial_deposition_date 2007-05-14 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1DUL +_pdbx_database_related.details 'Original structure solved by Batey, et al' +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Keel, A.Y.' 1 +'Rambo, R.P.' 2 +'Batey, R.T.' 3 +'Kieft, J.S.' 4 +# +_citation.id primary +_citation.title 'A General Strategy to Solve the Phase Problem in RNA Crystallography.' +_citation.journal_abbrev Structure +_citation.journal_volume 15 +_citation.page_first 761 +_citation.page_last 772 +_citation.year 2007 +_citation.journal_id_ASTM STRUE6 +_citation.country UK +_citation.journal_id_ISSN 0969-2126 +_citation.journal_id_CSD 2005 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 17637337 +_citation.pdbx_database_id_DOI 10.1016/j.str.2007.06.003 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Keel, A.Y.' 1 ? +primary 'Rambo, R.P.' 2 ? +primary 'Batey, R.T.' 3 ? +primary 'Kieft, J.S.' 4 ? +# +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 syn '4.5 S RNA' 15885.515 1 ? 'C132G, A175G, G176U' 'DOMAIN IV' +? +2 polymer man 'Signal recognition particle protein' 12336.646 1 ? ? 'C TERMINAL DOMAIN (RESIDUES 328-432)' +? +3 non-polymer syn 'COBALT HEXAMMINE(III)' 161.116 7 ? ? ? +? +# +_entity_name_com.entity_id 2 +_entity_name_com.name 'Fifty-four homolog, p48' +# +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 polyribonucleotide no no GGGUCUGUUUACCAGGUCAGGUCCGAAAGGAAGCAGCCAAGGCAGGUCC GGGUCUGUUUACCAGGUCAGGUCCGAAAGGAAGCAGCCAAGGCAGGUCC B +? +2 'polypeptide(L)' no yes +;FDLNDFLEQLRQMKN(MSE)GG(MSE)ASL(MSE)GKLPG(MSE)GQIPDNVKSQ(MSE)DDKVLVR(MSE)EAIINS +(MSE)T(MSE)KERAKPEIIKGSRKRRIAAGSG(MSE)QVQDVNRLLKQFDD(MSE)QR(MSE)(MSE)KK(MSE) +; +;FDLNDFLEQLRQMKNMGGMASLMGKLPGMGQIPDNVKSQMDDKVLVRMEAIINSMTMKERAKPEIIKGSRKRRIAAGSGM +QVQDVNRLLKQFDDMQRMMKKM +; +A ? +# +_pdbx_entity_nonpoly.entity_id 3 +_pdbx_entity_nonpoly.name 'COBALT HEXAMMINE(III)' +_pdbx_entity_nonpoly.comp_id NCO +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 G n +1 2 G n +1 3 G n +1 4 U n +1 5 C n +1 6 U n +1 7 G n +1 8 U n +1 9 U n +1 10 U n +1 11 A n +1 12 C n +1 13 C n +1 14 A n +1 15 G n +1 16 G n +1 17 U n +1 18 C n +1 19 A n +1 20 G n +1 21 G n +1 22 U n +1 23 C n +1 24 C n +1 25 G n +1 26 A n +1 27 A n +1 28 A n +1 29 G n +1 30 G n +1 31 A n +1 32 A n +1 33 G n +1 34 C n +1 35 A n +1 36 G n +1 37 C n +1 38 C n +1 39 A n +1 40 A n +1 41 G n +1 42 G n +1 43 C n +1 44 A n +1 45 G n +1 46 G n +1 47 U n +1 48 C n +1 49 C n +2 1 PHE n +2 2 ASP n +2 3 LEU n +2 4 ASN n +2 5 ASP n +2 6 PHE n +2 7 LEU n +2 8 GLU n +2 9 GLN n +2 10 LEU n +2 11 ARG n +2 12 GLN n +2 13 MET n +2 14 LYS n +2 15 ASN n +2 16 MSE n +2 17 GLY n +2 18 GLY n +2 19 MSE n +2 20 ALA n +2 21 SER n +2 22 LEU n +2 23 MSE n +2 24 GLY n +2 25 LYS n +2 26 LEU n +2 27 PRO n +2 28 GLY n +2 29 MSE n +2 30 GLY n +2 31 GLN n +2 32 ILE n +2 33 PRO n +2 34 ASP n +2 35 ASN n +2 36 VAL n +2 37 LYS n +2 38 SER n +2 39 GLN n +2 40 MSE n +2 41 ASP n +2 42 ASP n +2 43 LYS n +2 44 VAL n +2 45 LEU n +2 46 VAL n +2 47 ARG n +2 48 MSE n +2 49 GLU n +2 50 ALA n +2 51 ILE n +2 52 ILE n +2 53 ASN n +2 54 SER n +2 55 MSE n +2 56 THR n +2 57 MSE n +2 58 LYS n +2 59 GLU n +2 60 ARG n +2 61 ALA n +2 62 LYS n +2 63 PRO n +2 64 GLU n +2 65 ILE n +2 66 ILE n +2 67 LYS n +2 68 GLY n +2 69 SER n +2 70 ARG n +2 71 LYS n +2 72 ARG n +2 73 ARG n +2 74 ILE n +2 75 ALA n +2 76 ALA n +2 77 GLY n +2 78 SER n +2 79 GLY n +2 80 MSE n +2 81 GLN n +2 82 VAL n +2 83 GLN n +2 84 ASP n +2 85 VAL n +2 86 ASN n +2 87 ARG n +2 88 LEU n +2 89 LEU n +2 90 LYS n +2 91 GLN n +2 92 PHE n +2 93 ASP n +2 94 ASP n +2 95 MSE n +2 96 GLN n +2 97 ARG n +2 98 MSE n +2 99 MSE n +2 100 LYS n +2 101 LYS n +2 102 MSE n +# +_entity_src_gen.entity_id 2 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_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 Escherichia +_entity_src_gen.pdbx_gene_src_gene ffh +_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 'Escherichia coli' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 +_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 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_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 'BL21(pLysS)' +_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 PLASMID +_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 ? +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details synthetic +# +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 +A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +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 +C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221 +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 +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 +MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 Se' 196.106 +NCO non-polymer . 'COBALT HEXAMMINE(III)' ? 'Co H18 N6 3' 161.116 +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 +U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +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 G 1 130 130 G G B . n +A 1 2 G 2 131 131 G G B . n +A 1 3 G 3 132 132 G G B . n +A 1 4 U 4 133 133 U U B . n +A 1 5 C 5 134 134 C C B . n +A 1 6 U 6 135 135 U U B . n +A 1 7 G 7 136 136 G G B . n +A 1 8 U 8 137 137 U U B . n +A 1 9 U 9 138 138 U U B . n +A 1 10 U 10 139 139 U U B . n +A 1 11 A 11 140 140 A A B . n +A 1 12 C 12 141 141 C C B . n +A 1 13 C 13 142 142 C C B . n +A 1 14 A 14 143 143 A A B . n +A 1 15 G 15 144 144 G G B . n +A 1 16 G 16 145 145 G G B . n +A 1 17 U 17 146 146 U U B . n +A 1 18 C 18 147 147 C C B . n +A 1 19 A 19 148 148 A A B . n +A 1 20 G 20 149 149 G G B . n +A 1 21 G 21 150 150 G G B . n +A 1 22 U 22 151 151 U U B . n +A 1 23 C 23 152 152 C C B . n +A 1 24 C 24 153 153 C C B . n +A 1 25 G 25 154 154 G G B . n +A 1 26 A 26 155 155 A A B . n +A 1 27 A 27 156 156 A A B . n +A 1 28 A 28 157 157 A A B . n +A 1 29 G 29 158 158 G G B . n +A 1 30 G 30 159 159 G G B . n +A 1 31 A 31 160 160 A A B . n +A 1 32 A 32 161 161 A A B . n +A 1 33 G 33 162 162 G G B . n +A 1 34 C 34 163 163 C C B . n +A 1 35 A 35 164 164 A A B . n +A 1 36 G 36 165 165 G G B . n +A 1 37 C 37 166 166 C C B . n +A 1 38 C 38 167 167 C C B . n +A 1 39 A 39 168 168 A A B . n +A 1 40 A 40 169 169 A A B . n +A 1 41 G 41 170 170 G G B . n +A 1 42 G 42 171 171 G G B . n +A 1 43 C 43 172 172 C C B . n +A 1 44 A 44 173 173 A A B . n +A 1 45 G 45 174 174 G G B . n +A 1 46 G 46 175 175 G G B . n +A 1 47 U 47 176 176 U U B . n +A 1 48 C 48 177 177 C C B . n +A 1 49 C 49 178 178 C C B . n +B 2 1 PHE 1 1 1 PHE PHE A . n +B 2 2 ASP 2 2 2 ASP ASP A . n +B 2 3 LEU 3 3 3 LEU LEU A . n +B 2 4 ASN 4 4 4 ASN ASN A . n +B 2 5 ASP 5 5 5 ASP ASP A . n +B 2 6 PHE 6 6 6 PHE PHE A . n +B 2 7 LEU 7 7 7 LEU LEU A . n +B 2 8 GLU 8 8 8 GLU GLU A . n +B 2 9 GLN 9 9 9 GLN GLN A . n +B 2 10 LEU 10 9 ? ? ? A A n +B 2 11 ARG 11 9 ? ? ? A B n +B 2 12 GLN 12 9 ? ? ? A C n +B 2 13 MET 13 9 ? ? ? A D n +B 2 14 LYS 14 9 ? ? ? A E n +B 2 15 ASN 15 9 ? ? ? A F n +B 2 16 MSE 16 9 ? ? ? A G n +B 2 17 GLY 17 9 ? ? ? A H n +B 2 18 GLY 18 9 ? ? ? A I n +B 2 19 MSE 19 9 ? ? ? A J n +B 2 20 ALA 20 9 ? ? ? A K n +B 2 21 SER 21 9 ? ? ? A L n +B 2 22 LEU 22 9 ? ? ? A M n +B 2 23 MSE 23 9 ? ? ? A N n +B 2 24 GLY 24 9 ? ? ? A O n +B 2 25 LYS 25 9 ? ? ? A P n +B 2 26 LEU 26 9 ? ? ? A Q n +B 2 27 PRO 27 9 ? ? ? A R n +B 2 28 GLY 28 9 ? ? ? A S n +B 2 29 MSE 29 9 ? ? ? A T n +B 2 30 GLY 30 9 ? ? ? A U n +B 2 31 GLN 31 9 ? ? ? A V n +B 2 32 ILE 32 9 ? ? ? A W n +B 2 33 PRO 33 9 ? ? ? A X n +B 2 34 ASP 34 9 ? ? ? A Y n +B 2 35 ASN 35 9 ? ? ? A Z n +B 2 36 VAL 36 10 ? ? ? A A n +B 2 37 LYS 37 10 ? ? ? A B n +B 2 38 SER 38 10 ? ? ? A C n +B 2 39 GLN 39 10 ? ? ? A D n +B 2 40 MSE 40 10 ? ? ? A E n +B 2 41 ASP 41 10 ? ? ? A F n +B 2 42 ASP 42 10 ? ? ? A G n +B 2 43 LYS 43 23 23 LYS LYS A . n +B 2 44 VAL 44 24 24 VAL VAL A . n +B 2 45 LEU 45 25 25 LEU LEU A . n +B 2 46 VAL 46 26 26 VAL VAL A . n +B 2 47 ARG 47 27 27 ARG ARG A . n +B 2 48 MSE 48 28 28 MSE MSE A . n +B 2 49 GLU 49 29 29 GLU GLU A . n +B 2 50 ALA 50 30 30 ALA ALA A . n +B 2 51 ILE 51 31 31 ILE ILE A . n +B 2 52 ILE 52 32 32 ILE ILE A . n +B 2 53 ASN 53 33 33 ASN ASN A . n +B 2 54 SER 54 34 34 SER SER A . n +B 2 55 MSE 55 35 35 MSE MSE A . n +B 2 56 THR 56 36 36 THR THR A . n +B 2 57 MSE 57 37 37 MSE MSE A . n +B 2 58 LYS 58 38 38 LYS LYS A . n +B 2 59 GLU 59 39 39 GLU GLU A . n +B 2 60 ARG 60 40 40 ARG ARG A . n +B 2 61 ALA 61 41 41 ALA ALA A . n +B 2 62 LYS 62 42 42 LYS LYS A . n +B 2 63 PRO 63 43 43 PRO PRO A . n +B 2 64 GLU 64 44 44 GLU GLU A . n +B 2 65 ILE 65 45 45 ILE ILE A . n +B 2 66 ILE 66 46 46 ILE ILE A . n +B 2 67 LYS 67 47 47 LYS LYS A . n +B 2 68 GLY 68 48 48 GLY GLY A . n +B 2 69 SER 69 49 49 SER SER A . n +B 2 70 ARG 70 50 50 ARG ARG A . n +B 2 71 LYS 71 51 51 LYS LYS A . n +B 2 72 ARG 72 52 52 ARG ARG A . n +B 2 73 ARG 73 53 53 ARG ARG A . n +B 2 74 ILE 74 54 54 ILE ILE A . n +B 2 75 ALA 75 55 55 ALA ALA A . n +B 2 76 ALA 76 56 56 ALA ALA A . n +B 2 77 GLY 77 57 57 GLY GLY A . n +B 2 78 SER 78 58 58 SER SER A . n +B 2 79 GLY 79 59 59 GLY GLY A . n +B 2 80 MSE 80 60 60 MSE MSE A . n +B 2 81 GLN 81 61 61 GLN GLN A . n +B 2 82 VAL 82 62 62 VAL VAL A . n +B 2 83 GLN 83 63 63 GLN GLN A . n +B 2 84 ASP 84 64 64 ASP ASP A . n +B 2 85 VAL 85 65 65 VAL VAL A . n +B 2 86 ASN 86 66 66 ASN ASN A . n +B 2 87 ARG 87 67 67 ARG ARG A . n +B 2 88 LEU 88 68 68 LEU LEU A . n +B 2 89 LEU 89 69 69 LEU LEU A . n +B 2 90 LYS 90 70 70 LYS LYS A . n +B 2 91 GLN 91 71 71 GLN GLN A . n +B 2 92 PHE 92 72 72 PHE PHE A . n +B 2 93 ASP 93 73 73 ASP ASP A . n +B 2 94 ASP 94 74 74 ASP ASP A . n +B 2 95 MSE 95 75 75 MSE MSE A . n +B 2 96 GLN 96 76 76 GLN GLN A . n +B 2 97 ARG 97 77 77 ARG ARG A . n +B 2 98 MSE 98 78 78 MSE MSE A . n +B 2 99 MSE 99 79 79 MSE MSE A . n +B 2 100 LYS 100 80 80 LYS LYS A . n +B 2 101 LYS 101 81 81 LYS LYS A . n +B 2 102 MSE 102 82 82 MSE MSE A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 NCO 1 201 201 NCO NCO B . +D 3 NCO 1 202 202 NCO NCO B . +E 3 NCO 1 203 203 NCO NCO B . +F 3 NCO 1 204 204 NCO NCO B . +G 3 NCO 1 205 205 NCO NCO B . +H 3 NCO 1 206 206 NCO NCO B . +I 3 NCO 1 207 207 NCO NCO B . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A LYS 23 ? CG ? B LYS 43 CG +2 1 Y 1 A LYS 23 ? CD ? B LYS 43 CD +3 1 Y 1 A LYS 23 ? CE ? B LYS 43 CE +4 1 Y 1 A LYS 23 ? NZ ? B LYS 43 NZ +5 1 Y 1 A VAL 24 ? CG1 ? B VAL 44 CG1 +6 1 Y 1 A VAL 24 ? CG2 ? B VAL 44 CG2 +7 1 Y 1 A LEU 25 ? CG ? B LEU 45 CG +8 1 Y 1 A LEU 25 ? CD1 ? B LEU 45 CD1 +9 1 Y 1 A LEU 25 ? CD2 ? B LEU 45 CD2 +10 1 Y 1 A VAL 26 ? CG1 ? B VAL 46 CG1 +11 1 Y 1 A VAL 26 ? CG2 ? B VAL 46 CG2 +12 1 Y 1 A ARG 27 ? CG ? B ARG 47 CG +13 1 Y 1 A ARG 27 ? CD ? B ARG 47 CD +14 1 Y 1 A ARG 27 ? NE ? B ARG 47 NE +15 1 Y 1 A ARG 27 ? CZ ? B ARG 47 CZ +16 1 Y 1 A ARG 27 ? NH1 ? B ARG 47 NH1 +17 1 Y 1 A ARG 27 ? NH2 ? B ARG 47 NH2 +18 1 Y 1 A ARG 67 ? CG ? B ARG 87 CG +19 1 Y 1 A ARG 67 ? CD ? B ARG 87 CD +20 1 Y 1 A ARG 67 ? NE ? B ARG 87 NE +21 1 Y 1 A ARG 67 ? CZ ? B ARG 87 CZ +22 1 Y 1 A ARG 67 ? NH1 ? B ARG 87 NH1 +23 1 Y 1 A ARG 67 ? NH2 ? B ARG 87 NH2 +24 1 Y 1 A GLN 76 ? CG ? B GLN 96 CG +25 1 Y 1 A GLN 76 ? CD ? B GLN 96 CD +26 1 Y 1 A GLN 76 ? OE1 ? B GLN 96 OE1 +27 1 Y 1 A GLN 76 ? NE2 ? B GLN 96 NE2 +28 1 Y 1 A LYS 80 ? CG ? B LYS 100 CG +29 1 Y 1 A LYS 80 ? CD ? B LYS 100 CD +30 1 Y 1 A LYS 80 ? CE ? B LYS 100 CE +31 1 Y 1 A LYS 80 ? NZ ? B LYS 100 NZ +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +d*TREK 9.4L 'Feb 10 2005' package 'Pflugrath, J.W.' jwp@RigakuMSC.com 'data scaling' +http://www.msc.com/protein/dtrek.html ? ? 1 +CNS . ? package 'Axel T. Brunger' axel.brunger@yale.edu refinement +http://cns.csb.yale.edu/v1.1/ Fortran_77 ? 2 +PDB_EXTRACT 2.000 'April. 3, 2006' package PDB sw-help@rcsb.rutgers.edu 'data extraction' +http://pdb.rutgers.edu/software/ C++ ? 3 +CrystalClear . ? ? ? ? 'data collection' ? ? ? 4 +d*TREK . ? ? ? ? 'data reduction' ? ? ? 5 +CNS . ? ? ? ? phasing ? ? ? 6 +# +_cell.entry_id 2PXE +_cell.length_a 132.480 +_cell.length_b 73.410 +_cell.length_c 33.160 +_cell.angle_alpha 90.00 +_cell.angle_beta 94.65 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_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 2PXE +_symmetry.space_group_name_H-M 'C 1 2 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 5 +_symmetry.space_group_name_Hall ? +# +_exptl.crystals_number 1 +_exptl.entry_id 2PXE +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.85 +_exptl_crystal.density_percent_sol 56.80 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.pH 5.6 +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.pdbx_details +'20Mm NaOH-MES pH 5.6, 200mM KCl, 10% Isopropanol, 5mM Cobalt Hexamine, VAPOR DIFFUSION, SITTING DROP, temperature 293K' +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_pH_range . +# +loop_ +_exptl_crystal_grow_comp.crystal_id +_exptl_crystal_grow_comp.id +_exptl_crystal_grow_comp.sol_id +_exptl_crystal_grow_comp.name +_exptl_crystal_grow_comp.conc +_exptl_crystal_grow_comp.volume +_exptl_crystal_grow_comp.details +1 1 1 NaOH-MES ? ? ? +1 2 1 KCl ? ? ? +1 3 1 Isopropanol ? ? ? +1 4 1 'Cobalt Hexamine' ? ? ? +1 5 1 H2O ? ? ? +1 6 2 NaOH-MES ? ? ? +1 7 2 KCl ? ? ? +1 8 2 Isopropanol ? ? ? +1 9 2 'Cobalt Hexamine' ? ? ? +# +_diffrn.id 1 +_diffrn.ambient_temp 113 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type 'RIGAKU RAXIS' +_diffrn_detector.pdbx_collection_date 2005-07-21 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.5418 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type RIGAKU +_diffrn_source.pdbx_wavelength_list 1.5418 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_site ? +_diffrn_source.pdbx_synchrotron_beamline ? +# +_reflns.entry_id 2PXE +_reflns.d_resolution_high 2.000 +_reflns.d_resolution_low 37.750 +_reflns.number_obs 40894 +_reflns.pdbx_scaling_rejects 1103 +_reflns.pdbx_Rmerge_I_obs 0.121 +_reflns.pdbx_netI_over_sigmaI 6.500 +_reflns.pdbx_chi_squared 0.970 +_reflns.pdbx_redundancy 3.570 +_reflns.percent_possible_obs 97.100 +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.number_all ? +_reflns.pdbx_Rsym_value ? +_reflns.B_iso_Wilson_estimate ? +_reflns.R_free_details ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.number_measured_obs +_reflns_shell.number_measured_all +_reflns_shell.number_unique_obs +_reflns_shell.Rmerge_I_obs +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_redundancy +_reflns_shell.percent_possible_obs +_reflns_shell.number_unique_all +_reflns_shell.percent_possible_all +_reflns_shell.pdbx_diffrn_id +_reflns_shell.pdbx_ordinal +2.00 2.07 ? 13439 ? 0.386 2.9 ? 0.920 3.39 ? 3964 92.70 ? 1 +2.07 2.15 ? 14291 ? 0.380 3.0 ? 0.970 3.52 ? 4053 97.20 ? 2 +2.15 2.25 ? 14146 ? 0.365 3.2 ? 1.000 3.51 ? 4016 95.80 ? 3 +2.25 2.37 ? 14501 ? 0.359 3.3 ? 1.060 3.50 ? 4131 96.20 ? 4 +2.37 2.52 ? 14372 ? 0.327 3.5 ? 1.020 3.50 ? 4091 98.10 ? 5 +2.52 2.71 ? 14305 ? 0.293 3.9 ? 1.030 3.51 ? 4061 97.70 ? 6 +2.71 2.99 ? 14715 ? 0.207 4.9 ? 0.990 3.53 ? 4143 97.90 ? 7 +2.99 3.42 ? 14968 ? 0.109 7.6 ? 0.940 3.61 ? 4119 98.50 ? 8 +3.42 4.31 ? 15906 ? 0.068 12.4 ? 0.880 3.76 ? 4187 99.10 ? 9 +4.31 37.75 ? 16297 ? 0.053 18.4 ? 0.860 3.81 ? 4129 97.80 ? 10 +# +_refine.entry_id 2PXE +_refine.ls_d_res_high 2.000 +_refine.ls_d_res_low 50.000 +_refine.pdbx_ls_sigma_F 0.00 +_refine.ls_percent_reflns_obs 96.700 +_refine.ls_number_reflns_obs 40729 +_refine.ls_R_factor_R_work 0.2338 +_refine.ls_R_factor_R_free 0.2768 +_refine.ls_percent_reflns_R_free 9.500 +_refine.ls_number_reflns_R_free 3993 +_refine.B_iso_mean 29.895 +_refine.solvent_model_param_bsol 49.911 +_refine.aniso_B[1][1] 1.095 +_refine.aniso_B[2][2] -3.299 +_refine.aniso_B[3][3] 2.204 +_refine.aniso_B[1][2] 0.000 +_refine.aniso_B[1][3] 0.467 +_refine.aniso_B[2][3] 0.000 +_refine.pdbx_ls_sigma_I ? +_refine.ls_number_reflns_all ? +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs ? +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 'PDB 1DUL' +_refine.pdbx_ls_cross_valid_method ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.details ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_overall_ESU_R ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 533 +_refine_hist.pdbx_number_atoms_nucleic_acid 1052 +_refine_hist.pdbx_number_atoms_ligand 49 +_refine_hist.number_atoms_solvent 0 +_refine_hist.number_atoms_total 1634 +_refine_hist.d_res_high 2.000 +_refine_hist.d_res_low 50.000 +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 CNS_TOPPAR:protein_rep.param ? 'X-RAY DIFFRACTION' +2 CNS_TOPPAR:dna-rna_rep.param ? 'X-RAY DIFFRACTION' +3 CNS_TOPPAR:ion.param ? 'X-RAY DIFFRACTION' +4 CNS_TOPPAR:cohex.param ? 'X-RAY DIFFRACTION' +5 CNS_TOPPAR:water_rep.param ? 'X-RAY DIFFRACTION' +# +_struct.entry_id 2PXE +_struct.title 'Variant 4 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag N +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 2PXE +_struct_keywords.text 'GU PAIR, HEXAMINE, RNA PHASING, RNA, CATION BINDING, SIGNALING PROTEIN-RNA COMPLEX' +_struct_keywords.pdbx_keywords 'SIGNALING PROTEIN/RNA' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 3 ? +E N N 3 ? +F N N 3 ? +G N N 3 ? +H N N 3 ? +I N N 3 ? +# +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 SRP54_ECOLI P0AGD7 2 +;FDLNDFLEQLRQMKNMGGMASLMGKLPGMGQIPDNVKSQMDDKVLVRMEAIINSMTMKERAKPEIIKGSRKRRIAAGCGM +QVQDVNRLLKQFDDMQRMMKKM +; +329 ? +2 PDB 2PXE 2PXE 1 ? ? ? +# +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 2PXE A 1 ? 102 ? P0AGD7 329 ? 430 ? 1 82 +2 2 2PXE B 1 ? 49 ? 2PXE 130 ? 178 ? 130 178 +# +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 2PXE MSE A 16 G UNP P0AGD7 MET 344 'modified residue' 9 1 +1 2PXE MSE A 19 J UNP P0AGD7 MET 347 'modified residue' 9 2 +1 2PXE MSE A 23 N UNP P0AGD7 MET 351 'modified residue' 9 3 +1 2PXE MSE A 29 T UNP P0AGD7 MET 357 'modified residue' 9 4 +1 2PXE MSE A 40 E UNP P0AGD7 MET 368 'modified residue' 10 5 +1 2PXE MSE A 48 ? UNP P0AGD7 MET 376 'modified residue' 28 6 +1 2PXE MSE A 55 ? UNP P0AGD7 MET 383 'modified residue' 35 7 +1 2PXE MSE A 57 ? UNP P0AGD7 MET 385 'modified residue' 37 8 +1 2PXE SER A 78 ? UNP P0AGD7 CYS 406 'engineered mutation' 58 9 +1 2PXE MSE A 80 ? UNP P0AGD7 MET 408 'modified residue' 60 10 +1 2PXE MSE A 95 ? UNP P0AGD7 MET 423 'modified residue' 75 11 +1 2PXE MSE A 98 ? UNP P0AGD7 MET 426 'modified residue' 78 12 +1 2PXE MSE A 99 ? UNP P0AGD7 MET 427 'modified residue' 79 13 +1 2PXE MSE A 102 ? UNP P0AGD7 MET 430 'modified residue' 82 14 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_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 ASP B 2 ? GLU B 8 ? ASP A 2 GLU A 8 1 ? 7 +HELX_P HELX_P2 2 LYS B 43 ? ASN B 53 ? LYS A 23 ASN A 33 1 ? 11 +HELX_P HELX_P3 3 THR B 56 ? LYS B 62 ? THR A 36 LYS A 42 1 ? 7 +HELX_P HELX_P4 4 PRO B 63 ? ILE B 66 ? PRO A 43 ILE A 46 5 ? 4 +HELX_P HELX_P5 5 LYS B 67 ? SER B 78 ? LYS A 47 SER A 58 1 ? 12 +HELX_P HELX_P6 6 GLN B 81 ? MSE B 99 ? GLN A 61 MSE A 79 1 ? 19 +# +_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 +_struct_conn.pdbx_role +covale1 covale both ? B ARG 47 C ? ? ? 1_555 B MSE 48 N ? ? A ARG 27 A MSE 28 1_555 ? ? ? ? ? ? ? 1.325 ? ? +covale2 covale both ? B MSE 48 C ? ? ? 1_555 B GLU 49 N ? ? A MSE 28 A GLU 29 1_555 ? ? ? ? ? ? ? 1.328 ? ? +covale3 covale both ? B SER 54 C ? ? ? 1_555 B MSE 55 N ? ? A SER 34 A MSE 35 1_555 ? ? ? ? ? ? ? 1.324 ? ? +covale4 covale both ? B MSE 55 C ? ? ? 1_555 B THR 56 N ? ? A MSE 35 A THR 36 1_555 ? ? ? ? ? ? ? 1.330 ? ? +covale5 covale both ? B THR 56 C ? ? ? 1_555 B MSE 57 N ? ? A THR 36 A MSE 37 1_555 ? ? ? ? ? ? ? 1.323 ? ? +covale6 covale both ? B MSE 57 C ? ? ? 1_555 B LYS 58 N ? ? A MSE 37 A LYS 38 1_555 ? ? ? ? ? ? ? 1.329 ? ? +covale7 covale both ? B GLY 79 C ? ? ? 1_555 B MSE 80 N ? ? A GLY 59 A MSE 60 1_555 ? ? ? ? ? ? ? 1.328 ? ? +covale8 covale both ? B MSE 80 C ? ? ? 1_555 B GLN 81 N ? ? A MSE 60 A GLN 61 1_555 ? ? ? ? ? ? ? 1.323 ? ? +covale9 covale both ? B ASP 94 C ? ? ? 1_555 B MSE 95 N ? ? A ASP 74 A MSE 75 1_555 ? ? ? ? ? ? ? 1.333 ? ? +covale10 covale both ? B MSE 95 C ? ? ? 1_555 B GLN 96 N ? ? A MSE 75 A GLN 76 1_555 ? ? ? ? ? ? ? 1.327 ? ? +covale11 covale both ? B ARG 97 C ? ? ? 1_555 B MSE 98 N ? ? A ARG 77 A MSE 78 1_555 ? ? ? ? ? ? ? 1.329 ? ? +covale12 covale both ? B MSE 98 C ? ? ? 1_555 B MSE 99 N ? ? A MSE 78 A MSE 79 1_555 ? ? ? ? ? ? ? 1.330 ? ? +covale13 covale both ? B MSE 99 C ? ? ? 1_555 B LYS 100 N ? ? A MSE 79 A LYS 80 1_555 ? ? ? ? ? ? ? 1.335 ? ? +covale14 covale both ? B LYS 101 C ? ? ? 1_555 B MSE 102 N ? ? A LYS 81 A MSE 82 1_555 ? ? ? ? ? ? ? 1.333 ? ? +hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 49 N3 ? ? B G 130 B C 178 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 49 O2 ? ? B G 130 B C 178 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 49 N4 ? ? B G 130 B C 178 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 48 N3 ? ? B G 131 B C 177 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 48 O2 ? ? B G 131 B C 177 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 48 N4 ? ? B G 131 B C 177 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A G 3 N1 ? ? ? 1_555 A U 47 O2 ? ? B G 132 B U 176 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog8 hydrog ? ? A G 3 O6 ? ? ? 1_555 A U 47 N3 ? ? B G 132 B U 176 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog9 hydrog ? ? A U 4 N3 ? ? ? 1_555 A G 46 O6 ? ? B U 133 B G 175 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog10 hydrog ? ? A U 4 O2 ? ? ? 1_555 A G 46 N1 ? ? B U 133 B G 175 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog11 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 45 N1 ? ? B C 134 B G 174 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 45 O6 ? ? B C 134 B G 174 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 45 N2 ? ? B C 134 B G 174 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A U 6 N3 ? ? ? 1_555 A A 44 N1 ? ? B U 135 B A 173 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A U 6 O4 ? ? ? 1_555 A A 44 N6 ? ? B U 135 B A 173 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A G 7 N1 ? ? ? 1_555 A C 43 N3 ? ? B G 136 B C 172 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A G 7 N2 ? ? ? 1_555 A C 43 O2 ? ? B G 136 B C 172 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A G 7 O6 ? ? ? 1_555 A C 43 N4 ? ? B G 136 B C 172 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A U 8 N3 ? ? ? 1_555 A G 42 O6 ? ? B U 137 B G 171 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog20 hydrog ? ? A U 8 O2 ? ? ? 1_555 A G 42 N1 ? ? B U 137 B G 171 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog21 hydrog ? ? A U 9 N3 ? ? ? 1_555 A G 41 O6 ? ? B U 138 B G 170 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog22 hydrog ? ? A U 9 O2 ? ? ? 1_555 A G 41 N1 ? ? B U 138 B G 170 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog23 hydrog ? ? A U 10 N3 ? ? ? 1_555 A A 40 N1 ? ? B U 139 B A 169 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog24 hydrog ? ? A U 10 O4 ? ? ? 1_555 A A 40 N6 ? ? B U 139 B A 169 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog25 hydrog ? ? A G 15 N1 ? ? ? 1_555 A C 38 N3 ? ? B G 144 B C 167 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog26 hydrog ? ? A G 15 N2 ? ? ? 1_555 A C 38 O2 ? ? B G 144 B C 167 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog27 hydrog ? ? A G 15 O6 ? ? ? 1_555 A C 38 N4 ? ? B G 144 B C 167 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog28 hydrog ? ? A G 16 N1 ? ? ? 1_555 A C 37 N3 ? ? B G 145 B C 166 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog29 hydrog ? ? A G 16 N2 ? ? ? 1_555 A C 37 O2 ? ? B G 145 B C 166 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog30 hydrog ? ? A G 16 O6 ? ? ? 1_555 A C 37 N4 ? ? B G 145 B C 166 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog31 hydrog ? ? A U 17 N3 ? ? ? 1_555 A G 36 O6 ? ? B U 146 B G 165 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog32 hydrog ? ? A U 17 O2 ? ? ? 1_555 A G 36 N1 ? ? B U 146 B G 165 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ? +hydrog33 hydrog ? ? A C 18 O2 ? ? ? 1_555 A A 35 N6 ? ? B C 147 B A 164 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ? +hydrog34 hydrog ? ? A A 19 N6 ? ? ? 1_555 A C 34 N3 ? ? B A 148 B C 163 1_555 ? ? ? ? ? ? TYPE_25_PAIR ? ? ? +hydrog35 hydrog ? ? A A 19 N7 ? ? ? 1_555 A C 34 N4 ? ? B A 148 B C 163 1_555 ? ? ? ? ? ? TYPE_25_PAIR ? ? ? +hydrog36 hydrog ? ? A G 20 O6 ? ? ? 1_555 A G 33 N2 ? ? B G 149 B G 162 1_555 ? ? ? ? ? ? 'G-G MISPAIR' ? ? ? +hydrog37 hydrog ? ? A G 21 N1 ? ? ? 1_555 A A 32 N1 ? ? B G 150 B A 161 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ? +hydrog38 hydrog ? ? A G 21 O6 ? ? ? 1_555 A A 32 N6 ? ? B G 150 B A 161 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ? +hydrog39 hydrog ? ? A U 22 N3 ? ? ? 1_555 A A 31 N1 ? ? B U 151 B A 160 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog40 hydrog ? ? A U 22 O4 ? ? ? 1_555 A A 31 N6 ? ? B U 151 B A 160 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog41 hydrog ? ? A C 23 N3 ? ? ? 1_555 A G 30 N1 ? ? B C 152 B G 159 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog42 hydrog ? ? A C 23 N4 ? ? ? 1_555 A G 30 O6 ? ? B C 152 B G 159 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog43 hydrog ? ? A C 23 O2 ? ? ? 1_555 A G 30 N2 ? ? B C 152 B G 159 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog44 hydrog ? ? A C 24 N3 ? ? ? 1_555 A G 29 N1 ? ? B C 153 B G 158 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog45 hydrog ? ? A C 24 N4 ? ? ? 1_555 A G 29 O6 ? ? B C 153 B G 158 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog46 hydrog ? ? A C 24 O2 ? ? ? 1_555 A G 29 N2 ? ? B C 153 B G 158 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog47 hydrog ? ? A G 25 N2 ? ? ? 1_555 A A 28 N7 ? ? B G 154 B A 157 1_555 ? ? ? ? ? ? 'G-A MISPAIR' ? ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +hydrog ? ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 MSE B 48 ? . . . . MSE A 28 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +2 MSE B 55 ? . . . . MSE A 35 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +3 MSE B 57 ? . . . . MSE A 37 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +4 MSE B 80 ? . . . . MSE A 60 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +5 MSE B 95 ? . . . . MSE A 75 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +6 MSE B 98 ? . . . . MSE A 78 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +7 MSE B 99 ? . . . . MSE A 79 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +8 MSE B 102 ? . . . . MSE A 82 ? 1_555 . . . . . . . MET 1 MSE Selenomethionine 'Named protein modification' +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software B NCO 201 ? 6 'BINDING SITE FOR RESIDUE NCO B 201' +AC2 Software B NCO 202 ? 5 'BINDING SITE FOR RESIDUE NCO B 202' +AC3 Software B NCO 203 ? 4 'BINDING SITE FOR RESIDUE NCO B 203' +AC4 Software B NCO 204 ? 2 'BINDING SITE FOR RESIDUE NCO B 204' +AC5 Software B NCO 205 ? 2 'BINDING SITE FOR RESIDUE NCO B 205' +AC6 Software B NCO 206 ? 4 'BINDING SITE FOR RESIDUE NCO B 206' +AC7 Software B NCO 207 ? 7 'BINDING SITE FOR RESIDUE NCO B 207' +# +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 6 G A 7 ? G B 136 . ? 1_555 ? +2 AC1 6 U A 8 ? U B 137 . ? 1_555 ? +3 AC1 6 U A 9 ? U B 138 . ? 1_555 ? +4 AC1 6 A A 40 ? A B 169 . ? 1_555 ? +5 AC1 6 G A 41 ? G B 170 . ? 1_555 ? +6 AC1 6 G A 42 ? G B 171 . ? 1_555 ? +7 AC2 5 G A 15 ? G B 144 . ? 1_555 ? +8 AC2 5 G A 16 ? G B 145 . ? 1_555 ? +9 AC2 5 U A 17 ? U B 146 . ? 1_555 ? +10 AC2 5 C A 34 ? C B 163 . ? 1_555 ? +11 AC2 5 A A 35 ? A B 164 . ? 1_555 ? +12 AC3 4 A A 19 ? A B 148 . ? 1_555 ? +13 AC3 4 G A 20 ? G B 149 . ? 1_555 ? +14 AC3 4 G A 21 ? G B 150 . ? 1_555 ? +15 AC3 4 U A 22 ? U B 151 . ? 1_555 ? +16 AC4 2 G A 25 ? G B 154 . ? 1_555 ? +17 AC4 2 A A 27 ? A B 156 . ? 1_555 ? +18 AC5 2 G A 29 ? G B 158 . ? 1_555 ? +19 AC5 2 G A 30 ? G B 159 . ? 1_555 ? +20 AC6 4 U A 17 ? U B 146 . ? 1_555 ? +21 AC6 4 C A 18 ? C B 147 . ? 1_555 ? +22 AC6 4 A A 32 ? A B 161 . ? 1_555 ? +23 AC6 4 G A 33 ? G B 162 . ? 1_555 ? +24 AC7 7 G A 2 ? G B 131 . ? 1_555 ? +25 AC7 7 G A 3 ? G B 132 . ? 1_555 ? +26 AC7 7 U A 4 ? U B 133 . ? 1_555 ? +27 AC7 7 G A 45 ? G B 174 . ? 1_555 ? +28 AC7 7 G A 46 ? G B 175 . ? 1_555 ? +29 AC7 7 U A 47 ? U B 176 . ? 1_555 ? +30 AC7 7 C A 48 ? C B 177 . ? 1_555 ? +# +_pdbx_entry_details.entry_id 2PXE +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +_pdbx_entry_details.has_protein_modification Y +# +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 LYS A 47 ? ? -115.37 -162.21 +2 1 MSE A 79 ? ? -62.60 97.41 +3 1 LYS A 80 ? ? 129.75 -29.43 +# +_pdbx_validate_planes.id 1 +_pdbx_validate_planes.PDB_model_num 1 +_pdbx_validate_planes.auth_comp_id G +_pdbx_validate_planes.auth_asym_id B +_pdbx_validate_planes.auth_seq_id 154 +_pdbx_validate_planes.PDB_ins_code ? +_pdbx_validate_planes.label_alt_id ? +_pdbx_validate_planes.rmsd 0.061 +_pdbx_validate_planes.type 'SIDE CHAIN' +# +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 B MSE 48 A MSE 28 ? MET SELENOMETHIONINE +2 B MSE 55 A MSE 35 ? MET SELENOMETHIONINE +3 B MSE 57 A MSE 37 ? MET SELENOMETHIONINE +4 B MSE 80 A MSE 60 ? MET SELENOMETHIONINE +5 B MSE 95 A MSE 75 ? MET SELENOMETHIONINE +6 B MSE 98 A MSE 78 ? MET SELENOMETHIONINE +7 B MSE 99 A MSE 79 ? MET SELENOMETHIONINE +8 B MSE 102 A MSE 82 ? MET SELENOMETHIONINE +# +_pdbx_phasing_MR.entry_id 2PXE +_pdbx_phasing_MR.method_rotation ? +_pdbx_phasing_MR.method_translation general +_pdbx_phasing_MR.model_details ? +_pdbx_phasing_MR.R_factor ? +_pdbx_phasing_MR.R_rigid_body ? +_pdbx_phasing_MR.correlation_coeff_Fo_to_Fc 0.720 +_pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? +_pdbx_phasing_MR.d_res_high_rotation ? +_pdbx_phasing_MR.d_res_low_rotation ? +_pdbx_phasing_MR.d_res_high_translation 2.150 +_pdbx_phasing_MR.d_res_low_translation 40.000 +_pdbx_phasing_MR.packing 0.290 +_pdbx_phasing_MR.reflns_percent_rotation ? +_pdbx_phasing_MR.reflns_percent_translation 97.200 +_pdbx_phasing_MR.sigma_F_rotation ? +_pdbx_phasing_MR.sigma_F_translation 0.000 +_pdbx_phasing_MR.sigma_I_rotation ? +_pdbx_phasing_MR.sigma_I_translation ? +# +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 LEU 9 A B LEU 10 +2 1 Y 1 A ARG 9 B B ARG 11 +3 1 Y 1 A GLN 9 C B GLN 12 +4 1 Y 1 A MET 9 D B MET 13 +5 1 Y 1 A LYS 9 E B LYS 14 +6 1 Y 1 A ASN 9 F B ASN 15 +7 1 Y 1 A MSE 9 G B MSE 16 +8 1 Y 1 A GLY 9 H B GLY 17 +9 1 Y 1 A GLY 9 I B GLY 18 +10 1 Y 1 A MSE 9 J B MSE 19 +11 1 Y 1 A ALA 9 K B ALA 20 +12 1 Y 1 A SER 9 L B SER 21 +13 1 Y 1 A LEU 9 M B LEU 22 +14 1 Y 1 A MSE 9 N B MSE 23 +15 1 Y 1 A GLY 9 O B GLY 24 +16 1 Y 1 A LYS 9 P B LYS 25 +17 1 Y 1 A LEU 9 Q B LEU 26 +18 1 Y 1 A PRO 9 R B PRO 27 +19 1 Y 1 A GLY 9 S B GLY 28 +20 1 Y 1 A MSE 9 T B MSE 29 +21 1 Y 1 A GLY 9 U B GLY 30 +22 1 Y 1 A GLN 9 V B GLN 31 +23 1 Y 1 A ILE 9 W B ILE 32 +24 1 Y 1 A PRO 9 X B PRO 33 +25 1 Y 1 A ASP 9 Y B ASP 34 +26 1 Y 1 A ASN 9 Z B ASN 35 +27 1 Y 1 A VAL 10 A B VAL 36 +28 1 Y 1 A LYS 10 B B LYS 37 +29 1 Y 1 A SER 10 C B SER 38 +30 1 Y 1 A GLN 10 D B GLN 39 +31 1 Y 1 A MSE 10 E B MSE 40 +32 1 Y 1 A ASP 10 F B ASP 41 +33 1 Y 1 A ASP 10 G B ASP 42 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +A OP3 O N N 1 +A P P N N 2 +A OP1 O N N 3 +A OP2 O N N 4 +A "O5'" O N N 5 +A "C5'" C N N 6 +A "C4'" C N R 7 +A "O4'" O N N 8 +A "C3'" C N S 9 +A "O3'" O N N 10 +A "C2'" C N R 11 +A "O2'" O N N 12 +A "C1'" C N R 13 +A N9 N Y N 14 +A C8 C Y N 15 +A N7 N Y N 16 +A C5 C Y N 17 +A C6 C Y N 18 +A N6 N N N 19 +A N1 N Y N 20 +A C2 C Y N 21 +A N3 N Y N 22 +A C4 C Y N 23 +A HOP3 H N N 24 +A HOP2 H N N 25 +A "H5'" H N N 26 +A "H5''" H N N 27 +A "H4'" H N N 28 +A "H3'" H N N 29 +A "HO3'" H N N 30 +A "H2'" H N N 31 +A "HO2'" H N N 32 +A "H1'" H N N 33 +A H8 H N N 34 +A H61 H N N 35 +A H62 H N N 36 +A H2 H N N 37 +ALA N N N N 38 +ALA CA C N S 39 +ALA C C N N 40 +ALA O O N N 41 +ALA CB C N N 42 +ALA OXT O N N 43 +ALA H H N N 44 +ALA H2 H N N 45 +ALA HA H N N 46 +ALA HB1 H N N 47 +ALA HB2 H N N 48 +ALA HB3 H N N 49 +ALA HXT H N N 50 +ARG N N N N 51 +ARG CA C N S 52 +ARG C C N N 53 +ARG O O N N 54 +ARG CB C N N 55 +ARG CG C N N 56 +ARG CD C N N 57 +ARG NE N N N 58 +ARG CZ C N N 59 +ARG NH1 N N N 60 +ARG NH2 N N N 61 +ARG OXT O N N 62 +ARG H H N N 63 +ARG H2 H N N 64 +ARG HA H N N 65 +ARG HB2 H N N 66 +ARG HB3 H N N 67 +ARG HG2 H N N 68 +ARG HG3 H N N 69 +ARG HD2 H N N 70 +ARG HD3 H N N 71 +ARG HE H N N 72 +ARG HH11 H N N 73 +ARG HH12 H N N 74 +ARG HH21 H N N 75 +ARG HH22 H N N 76 +ARG HXT H N N 77 +ASN N N N N 78 +ASN CA C N S 79 +ASN C C N N 80 +ASN O O N N 81 +ASN CB C N N 82 +ASN CG C N N 83 +ASN OD1 O N N 84 +ASN ND2 N N N 85 +ASN OXT O N N 86 +ASN H H N N 87 +ASN H2 H N N 88 +ASN HA H N N 89 +ASN HB2 H N N 90 +ASN HB3 H N N 91 +ASN HD21 H N N 92 +ASN HD22 H N N 93 +ASN HXT H N N 94 +ASP N N N N 95 +ASP CA C N S 96 +ASP C C N N 97 +ASP O O N N 98 +ASP CB C N N 99 +ASP CG C N N 100 +ASP OD1 O N N 101 +ASP OD2 O N N 102 +ASP OXT O N N 103 +ASP H H N N 104 +ASP H2 H N N 105 +ASP HA H N N 106 +ASP HB2 H N N 107 +ASP HB3 H N N 108 +ASP HD2 H N N 109 +ASP HXT H N N 110 +C OP3 O N N 111 +C P P N N 112 +C OP1 O N N 113 +C OP2 O N N 114 +C "O5'" O N N 115 +C "C5'" C N N 116 +C "C4'" C N R 117 +C "O4'" O N N 118 +C "C3'" C N S 119 +C "O3'" O N N 120 +C "C2'" C N R 121 +C "O2'" O N N 122 +C "C1'" C N R 123 +C N1 N N N 124 +C C2 C N N 125 +C O2 O N N 126 +C N3 N N N 127 +C C4 C N N 128 +C N4 N N N 129 +C C5 C N N 130 +C C6 C N N 131 +C HOP3 H N N 132 +C HOP2 H N N 133 +C "H5'" H N N 134 +C "H5''" H N N 135 +C "H4'" H N N 136 +C "H3'" H N N 137 +C "HO3'" H N N 138 +C "H2'" H N N 139 +C "HO2'" H N N 140 +C "H1'" H N N 141 +C H41 H N N 142 +C H42 H N N 143 +C H5 H N N 144 +C H6 H N N 145 +CYS N N N N 146 +CYS CA C N R 147 +CYS C C N N 148 +CYS O O N N 149 +CYS CB C N N 150 +CYS SG S N N 151 +CYS OXT O N N 152 +CYS H H N N 153 +CYS H2 H N N 154 +CYS HA H N N 155 +CYS HB2 H N N 156 +CYS HB3 H N N 157 +CYS HG H N N 158 +CYS HXT H N N 159 +G OP3 O N N 160 +G P P N N 161 +G OP1 O N N 162 +G OP2 O N N 163 +G "O5'" O N N 164 +G "C5'" C N N 165 +G "C4'" C N R 166 +G "O4'" O N N 167 +G "C3'" C N S 168 +G "O3'" O N N 169 +G "C2'" C N R 170 +G "O2'" O N N 171 +G "C1'" C N R 172 +G N9 N Y N 173 +G C8 C Y N 174 +G N7 N Y N 175 +G C5 C Y N 176 +G C6 C N N 177 +G O6 O N N 178 +G N1 N N N 179 +G C2 C N N 180 +G N2 N N N 181 +G N3 N N N 182 +G C4 C Y N 183 +G HOP3 H N N 184 +G HOP2 H N N 185 +G "H5'" H N N 186 +G "H5''" H N N 187 +G "H4'" H N N 188 +G "H3'" H N N 189 +G "HO3'" H N N 190 +G "H2'" H N N 191 +G "HO2'" H N N 192 +G "H1'" H N N 193 +G H8 H N N 194 +G H1 H N N 195 +G H21 H N N 196 +G H22 H N N 197 +GLN N N N N 198 +GLN CA C N S 199 +GLN C C N N 200 +GLN O O N N 201 +GLN CB C N N 202 +GLN CG C N N 203 +GLN CD C N N 204 +GLN OE1 O N N 205 +GLN NE2 N N N 206 +GLN OXT O N N 207 +GLN H H N N 208 +GLN H2 H N N 209 +GLN HA H N N 210 +GLN HB2 H N N 211 +GLN HB3 H N N 212 +GLN HG2 H N N 213 +GLN HG3 H N N 214 +GLN HE21 H N N 215 +GLN HE22 H N N 216 +GLN HXT H N N 217 +GLU N N N N 218 +GLU CA C N S 219 +GLU C C N N 220 +GLU O O N N 221 +GLU CB C N N 222 +GLU CG C N N 223 +GLU CD C N N 224 +GLU OE1 O N N 225 +GLU OE2 O N N 226 +GLU OXT O N N 227 +GLU H H N N 228 +GLU H2 H N N 229 +GLU HA H N N 230 +GLU HB2 H N N 231 +GLU HB3 H N N 232 +GLU HG2 H N N 233 +GLU HG3 H N N 234 +GLU HE2 H N N 235 +GLU HXT H N N 236 +GLY N N N N 237 +GLY CA C N N 238 +GLY C C N N 239 +GLY O O N N 240 +GLY OXT O N N 241 +GLY H H N N 242 +GLY H2 H N N 243 +GLY HA2 H N N 244 +GLY HA3 H N N 245 +GLY HXT H N N 246 +ILE N N N N 247 +ILE CA C N S 248 +ILE C C N N 249 +ILE O O N N 250 +ILE CB C N S 251 +ILE CG1 C N N 252 +ILE CG2 C N N 253 +ILE CD1 C N N 254 +ILE OXT O N N 255 +ILE H H N N 256 +ILE H2 H N N 257 +ILE HA H N N 258 +ILE HB H N N 259 +ILE HG12 H N N 260 +ILE HG13 H N N 261 +ILE HG21 H N N 262 +ILE HG22 H N N 263 +ILE HG23 H N N 264 +ILE HD11 H N N 265 +ILE HD12 H N N 266 +ILE HD13 H N N 267 +ILE HXT H N N 268 +LEU N N N N 269 +LEU CA C N S 270 +LEU C C N N 271 +LEU O O N N 272 +LEU CB C N N 273 +LEU CG C N N 274 +LEU CD1 C N N 275 +LEU CD2 C N N 276 +LEU OXT O N N 277 +LEU H H N N 278 +LEU H2 H N N 279 +LEU HA H N N 280 +LEU HB2 H N N 281 +LEU HB3 H N N 282 +LEU HG H N N 283 +LEU HD11 H N N 284 +LEU HD12 H N N 285 +LEU HD13 H N N 286 +LEU HD21 H N N 287 +LEU HD22 H N N 288 +LEU HD23 H N N 289 +LEU HXT H N N 290 +LYS N N N N 291 +LYS CA C N S 292 +LYS C C N N 293 +LYS O O N N 294 +LYS CB C N N 295 +LYS CG C N N 296 +LYS CD C N N 297 +LYS CE C N N 298 +LYS NZ N N N 299 +LYS OXT O N N 300 +LYS H H N N 301 +LYS H2 H N N 302 +LYS HA H N N 303 +LYS HB2 H N N 304 +LYS HB3 H N N 305 +LYS HG2 H N N 306 +LYS HG3 H N N 307 +LYS HD2 H N N 308 +LYS HD3 H N N 309 +LYS HE2 H N N 310 +LYS HE3 H N N 311 +LYS HZ1 H N N 312 +LYS HZ2 H N N 313 +LYS HZ3 H N N 314 +LYS HXT H N N 315 +MET N N N N 316 +MET CA C N S 317 +MET C C N N 318 +MET O O N N 319 +MET CB C N N 320 +MET CG C N N 321 +MET SD S N N 322 +MET CE C N N 323 +MET OXT O N N 324 +MET H H N N 325 +MET H2 H N N 326 +MET HA H N N 327 +MET HB2 H N N 328 +MET HB3 H N N 329 +MET HG2 H N N 330 +MET HG3 H N N 331 +MET HE1 H N N 332 +MET HE2 H N N 333 +MET HE3 H N N 334 +MET HXT H N N 335 +MSE N N N N 336 +MSE CA C N S 337 +MSE C C N N 338 +MSE O O N N 339 +MSE OXT O N N 340 +MSE CB C N N 341 +MSE CG C N N 342 +MSE SE SE N N 343 +MSE CE C N N 344 +MSE H H N N 345 +MSE H2 H N N 346 +MSE HA H N N 347 +MSE HXT H N N 348 +MSE HB2 H N N 349 +MSE HB3 H N N 350 +MSE HG2 H N N 351 +MSE HG3 H N N 352 +MSE HE1 H N N 353 +MSE HE2 H N N 354 +MSE HE3 H N N 355 +NCO CO CO N N 356 +NCO N1 N N N 357 +NCO N2 N N N 358 +NCO N3 N N N 359 +NCO N4 N N N 360 +NCO N5 N N N 361 +NCO N6 N N N 362 +NCO HN11 H N N 363 +NCO HN12 H N N 364 +NCO HN13 H N N 365 +NCO HN21 H N N 366 +NCO HN22 H N N 367 +NCO HN23 H N N 368 +NCO HN31 H N N 369 +NCO HN32 H N N 370 +NCO HN33 H N N 371 +NCO HN41 H N N 372 +NCO HN42 H N N 373 +NCO HN43 H N N 374 +NCO HN51 H N N 375 +NCO HN52 H N N 376 +NCO HN53 H N N 377 +NCO HN61 H N N 378 +NCO HN62 H N N 379 +NCO HN63 H N N 380 +PHE N N N N 381 +PHE CA C N S 382 +PHE C C N N 383 +PHE O O N N 384 +PHE CB C N N 385 +PHE CG C Y N 386 +PHE CD1 C Y N 387 +PHE CD2 C Y N 388 +PHE CE1 C Y N 389 +PHE CE2 C Y N 390 +PHE CZ C Y N 391 +PHE OXT O N N 392 +PHE H H N N 393 +PHE H2 H N N 394 +PHE HA H N N 395 +PHE HB2 H N N 396 +PHE HB3 H N N 397 +PHE HD1 H N N 398 +PHE HD2 H N N 399 +PHE HE1 H N N 400 +PHE HE2 H N N 401 +PHE HZ H N N 402 +PHE HXT H N N 403 +PRO N N N N 404 +PRO CA C N S 405 +PRO C C N N 406 +PRO O O N N 407 +PRO CB C N N 408 +PRO CG C N N 409 +PRO CD C N N 410 +PRO OXT O N N 411 +PRO H H N N 412 +PRO HA H N N 413 +PRO HB2 H N N 414 +PRO HB3 H N N 415 +PRO HG2 H N N 416 +PRO HG3 H N N 417 +PRO HD2 H N N 418 +PRO HD3 H N N 419 +PRO HXT H N N 420 +SER N N N N 421 +SER CA C N S 422 +SER C C N N 423 +SER O O N N 424 +SER CB C N N 425 +SER OG O N N 426 +SER OXT O N N 427 +SER H H N N 428 +SER H2 H N N 429 +SER HA H N N 430 +SER HB2 H N N 431 +SER HB3 H N N 432 +SER HG H N N 433 +SER HXT H N N 434 +THR N N N N 435 +THR CA C N S 436 +THR C C N N 437 +THR O O N N 438 +THR CB C N R 439 +THR OG1 O N N 440 +THR CG2 C N N 441 +THR OXT O N N 442 +THR H H N N 443 +THR H2 H N N 444 +THR HA H N N 445 +THR HB H N N 446 +THR HG1 H N N 447 +THR HG21 H N N 448 +THR HG22 H N N 449 +THR HG23 H N N 450 +THR HXT H N N 451 +U OP3 O N N 452 +U P P N N 453 +U OP1 O N N 454 +U OP2 O N N 455 +U "O5'" O N N 456 +U "C5'" C N N 457 +U "C4'" C N R 458 +U "O4'" O N N 459 +U "C3'" C N S 460 +U "O3'" O N N 461 +U "C2'" C N R 462 +U "O2'" O N N 463 +U "C1'" C N R 464 +U N1 N N N 465 +U C2 C N N 466 +U O2 O N N 467 +U N3 N N N 468 +U C4 C N N 469 +U O4 O N N 470 +U C5 C N N 471 +U C6 C N N 472 +U HOP3 H N N 473 +U HOP2 H N N 474 +U "H5'" H N N 475 +U "H5''" H N N 476 +U "H4'" H N N 477 +U "H3'" H N N 478 +U "HO3'" H N N 479 +U "H2'" H N N 480 +U "HO2'" H N N 481 +U "H1'" H N N 482 +U H3 H N N 483 +U H5 H N N 484 +U H6 H N N 485 +VAL N N N N 486 +VAL CA C N S 487 +VAL C C N N 488 +VAL O O N N 489 +VAL CB C N N 490 +VAL CG1 C N N 491 +VAL CG2 C N N 492 +VAL OXT O N N 493 +VAL H H N N 494 +VAL H2 H N N 495 +VAL HA H N N 496 +VAL HB H N N 497 +VAL HG11 H N N 498 +VAL HG12 H N N 499 +VAL HG13 H N N 500 +VAL HG21 H N N 501 +VAL HG22 H N N 502 +VAL HG23 H N N 503 +VAL HXT H N N 504 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +A OP3 P sing N N 1 +A OP3 HOP3 sing N N 2 +A P OP1 doub N N 3 +A P OP2 sing N N 4 +A P "O5'" sing N N 5 +A OP2 HOP2 sing N N 6 +A "O5'" "C5'" sing N N 7 +A "C5'" "C4'" sing N N 8 +A "C5'" "H5'" sing N N 9 +A "C5'" "H5''" sing N N 10 +A "C4'" "O4'" sing N N 11 +A "C4'" "C3'" sing N N 12 +A "C4'" "H4'" sing N N 13 +A "O4'" "C1'" sing N N 14 +A "C3'" "O3'" sing N N 15 +A "C3'" "C2'" sing N N 16 +A "C3'" "H3'" sing N N 17 +A "O3'" "HO3'" sing N N 18 +A "C2'" "O2'" sing N N 19 +A "C2'" "C1'" sing N N 20 +A "C2'" "H2'" sing N N 21 +A "O2'" "HO2'" sing N N 22 +A "C1'" N9 sing N N 23 +A "C1'" "H1'" sing N N 24 +A N9 C8 sing Y N 25 +A N9 C4 sing Y N 26 +A C8 N7 doub Y N 27 +A C8 H8 sing N N 28 +A N7 C5 sing Y N 29 +A C5 C6 sing Y N 30 +A C5 C4 doub Y N 31 +A C6 N6 sing N N 32 +A C6 N1 doub Y N 33 +A N6 H61 sing N N 34 +A N6 H62 sing N N 35 +A N1 C2 sing Y N 36 +A C2 N3 doub Y N 37 +A C2 H2 sing N N 38 +A N3 C4 sing Y N 39 +ALA N CA sing N N 40 +ALA N H sing N N 41 +ALA N H2 sing N N 42 +ALA CA C sing N N 43 +ALA CA CB sing N N 44 +ALA CA HA sing N N 45 +ALA C O doub N N 46 +ALA C OXT sing N N 47 +ALA CB HB1 sing N N 48 +ALA CB HB2 sing N N 49 +ALA CB HB3 sing N N 50 +ALA OXT HXT sing N N 51 +ARG N CA sing N N 52 +ARG N H sing N N 53 +ARG N H2 sing N N 54 +ARG CA C sing N N 55 +ARG CA CB sing N N 56 +ARG CA HA sing N N 57 +ARG C O doub N N 58 +ARG C OXT sing N N 59 +ARG CB CG sing N N 60 +ARG CB HB2 sing N N 61 +ARG CB HB3 sing N N 62 +ARG CG CD sing N N 63 +ARG CG HG2 sing N N 64 +ARG CG HG3 sing N N 65 +ARG CD NE sing N N 66 +ARG CD HD2 sing N N 67 +ARG CD HD3 sing N N 68 +ARG NE CZ sing N N 69 +ARG NE HE sing N N 70 +ARG CZ NH1 sing N N 71 +ARG CZ NH2 doub N N 72 +ARG NH1 HH11 sing N N 73 +ARG NH1 HH12 sing N N 74 +ARG NH2 HH21 sing N N 75 +ARG NH2 HH22 sing N N 76 +ARG OXT HXT sing N N 77 +ASN N CA sing N N 78 +ASN N H sing N N 79 +ASN N H2 sing N N 80 +ASN CA C sing N N 81 +ASN CA CB sing N N 82 +ASN CA HA sing N N 83 +ASN C O doub N N 84 +ASN C OXT sing N N 85 +ASN CB CG sing N N 86 +ASN CB HB2 sing N N 87 +ASN CB HB3 sing N N 88 +ASN CG OD1 doub N N 89 +ASN CG ND2 sing N N 90 +ASN ND2 HD21 sing N N 91 +ASN ND2 HD22 sing N N 92 +ASN OXT HXT sing N N 93 +ASP N CA sing N N 94 +ASP N H sing N N 95 +ASP N H2 sing N N 96 +ASP CA C sing N N 97 +ASP CA CB sing N N 98 +ASP CA HA sing N N 99 +ASP C O doub N N 100 +ASP C OXT sing N N 101 +ASP CB CG sing N N 102 +ASP CB HB2 sing N N 103 +ASP CB HB3 sing N N 104 +ASP CG OD1 doub N N 105 +ASP CG OD2 sing N N 106 +ASP OD2 HD2 sing N N 107 +ASP OXT HXT sing N N 108 +C OP3 P sing N N 109 +C OP3 HOP3 sing N N 110 +C P OP1 doub N N 111 +C P OP2 sing N N 112 +C P "O5'" sing N N 113 +C OP2 HOP2 sing N N 114 +C "O5'" "C5'" sing N N 115 +C "C5'" "C4'" sing N N 116 +C "C5'" "H5'" sing N N 117 +C "C5'" "H5''" sing N N 118 +C "C4'" "O4'" sing N N 119 +C "C4'" "C3'" sing N N 120 +C "C4'" "H4'" sing N N 121 +C "O4'" "C1'" sing N N 122 +C "C3'" "O3'" sing N N 123 +C "C3'" "C2'" sing N N 124 +C "C3'" "H3'" sing N N 125 +C "O3'" "HO3'" sing N N 126 +C "C2'" "O2'" sing N N 127 +C "C2'" "C1'" sing N N 128 +C "C2'" "H2'" sing N N 129 +C "O2'" "HO2'" sing N N 130 +C "C1'" N1 sing N N 131 +C "C1'" "H1'" sing N N 132 +C N1 C2 sing N N 133 +C N1 C6 sing N N 134 +C C2 O2 doub N N 135 +C C2 N3 sing N N 136 +C N3 C4 doub N N 137 +C C4 N4 sing N N 138 +C C4 C5 sing N N 139 +C N4 H41 sing N N 140 +C N4 H42 sing N N 141 +C C5 C6 doub N N 142 +C C5 H5 sing N N 143 +C C6 H6 sing N N 144 +CYS N CA sing N N 145 +CYS N H sing N N 146 +CYS N H2 sing N N 147 +CYS CA C sing N N 148 +CYS CA CB sing N N 149 +CYS CA HA sing N N 150 +CYS C O doub N N 151 +CYS C OXT sing N N 152 +CYS CB SG sing N N 153 +CYS CB HB2 sing N N 154 +CYS CB HB3 sing N N 155 +CYS SG HG sing N N 156 +CYS OXT HXT sing N N 157 +G OP3 P sing N N 158 +G OP3 HOP3 sing N N 159 +G P OP1 doub N N 160 +G P OP2 sing N N 161 +G P "O5'" sing N N 162 +G OP2 HOP2 sing N N 163 +G "O5'" "C5'" sing N N 164 +G "C5'" "C4'" sing N N 165 +G "C5'" "H5'" sing N N 166 +G "C5'" "H5''" sing N N 167 +G "C4'" "O4'" sing N N 168 +G "C4'" "C3'" sing N N 169 +G "C4'" "H4'" sing N N 170 +G "O4'" "C1'" sing N N 171 +G "C3'" "O3'" sing N N 172 +G "C3'" "C2'" sing N N 173 +G "C3'" "H3'" sing N N 174 +G "O3'" "HO3'" sing N N 175 +G "C2'" "O2'" sing N N 176 +G "C2'" "C1'" sing N N 177 +G "C2'" "H2'" sing N N 178 +G "O2'" "HO2'" sing N N 179 +G "C1'" N9 sing N N 180 +G "C1'" "H1'" sing N N 181 +G N9 C8 sing Y N 182 +G N9 C4 sing Y N 183 +G C8 N7 doub Y N 184 +G C8 H8 sing N N 185 +G N7 C5 sing Y N 186 +G C5 C6 sing N N 187 +G C5 C4 doub Y N 188 +G C6 O6 doub N N 189 +G C6 N1 sing N N 190 +G N1 C2 sing N N 191 +G N1 H1 sing N N 192 +G C2 N2 sing N N 193 +G C2 N3 doub N N 194 +G N2 H21 sing N N 195 +G N2 H22 sing N N 196 +G N3 C4 sing N N 197 +GLN N CA sing N N 198 +GLN N H sing N N 199 +GLN N H2 sing N N 200 +GLN CA C sing N N 201 +GLN CA CB sing N N 202 +GLN CA HA sing N N 203 +GLN C O doub N N 204 +GLN C OXT sing N N 205 +GLN CB CG sing N N 206 +GLN CB HB2 sing N N 207 +GLN CB HB3 sing N N 208 +GLN CG CD sing N N 209 +GLN CG HG2 sing N N 210 +GLN CG HG3 sing N N 211 +GLN CD OE1 doub N N 212 +GLN CD NE2 sing N N 213 +GLN NE2 HE21 sing N N 214 +GLN NE2 HE22 sing N N 215 +GLN OXT HXT sing N N 216 +GLU N CA sing N N 217 +GLU N H sing N N 218 +GLU N H2 sing N N 219 +GLU CA C sing N N 220 +GLU CA CB sing N N 221 +GLU CA HA sing N N 222 +GLU C O doub N N 223 +GLU C OXT sing N N 224 +GLU CB CG sing N N 225 +GLU CB HB2 sing N N 226 +GLU CB HB3 sing N N 227 +GLU CG CD sing N N 228 +GLU CG HG2 sing N N 229 +GLU CG HG3 sing N N 230 +GLU CD OE1 doub N N 231 +GLU CD OE2 sing N N 232 +GLU OE2 HE2 sing N N 233 +GLU OXT HXT sing N N 234 +GLY N CA sing N N 235 +GLY N H sing N N 236 +GLY N H2 sing N N 237 +GLY CA C sing N N 238 +GLY CA HA2 sing N N 239 +GLY CA HA3 sing N N 240 +GLY C O doub N N 241 +GLY C OXT sing N N 242 +GLY OXT HXT sing N N 243 +ILE N CA sing N N 244 +ILE N H sing N N 245 +ILE N H2 sing N N 246 +ILE CA C sing N N 247 +ILE CA CB sing N N 248 +ILE CA HA sing N N 249 +ILE C O doub N N 250 +ILE C OXT sing N N 251 +ILE CB CG1 sing N N 252 +ILE CB CG2 sing N N 253 +ILE CB HB sing N N 254 +ILE CG1 CD1 sing N N 255 +ILE CG1 HG12 sing N N 256 +ILE CG1 HG13 sing N N 257 +ILE CG2 HG21 sing N N 258 +ILE CG2 HG22 sing N N 259 +ILE CG2 HG23 sing N N 260 +ILE CD1 HD11 sing N N 261 +ILE CD1 HD12 sing N N 262 +ILE CD1 HD13 sing N N 263 +ILE OXT HXT sing N N 264 +LEU N CA sing N N 265 +LEU N H sing N N 266 +LEU N H2 sing N N 267 +LEU CA C sing N N 268 +LEU CA CB sing N N 269 +LEU CA HA sing N N 270 +LEU C O doub N N 271 +LEU C OXT sing N N 272 +LEU CB CG sing N N 273 +LEU CB HB2 sing N N 274 +LEU CB HB3 sing N N 275 +LEU CG CD1 sing N N 276 +LEU CG CD2 sing N N 277 +LEU CG HG sing N N 278 +LEU CD1 HD11 sing N N 279 +LEU CD1 HD12 sing N N 280 +LEU CD1 HD13 sing N N 281 +LEU CD2 HD21 sing N N 282 +LEU CD2 HD22 sing N N 283 +LEU CD2 HD23 sing N N 284 +LEU OXT HXT sing N N 285 +LYS N CA sing N N 286 +LYS N H sing N N 287 +LYS N H2 sing N N 288 +LYS CA C sing N N 289 +LYS CA CB sing N N 290 +LYS CA HA sing N N 291 +LYS C O doub N N 292 +LYS C OXT sing N N 293 +LYS CB CG sing N N 294 +LYS CB HB2 sing N N 295 +LYS CB HB3 sing N N 296 +LYS CG CD sing N N 297 +LYS CG HG2 sing N N 298 +LYS CG HG3 sing N N 299 +LYS CD CE sing N N 300 +LYS CD HD2 sing N N 301 +LYS CD HD3 sing N N 302 +LYS CE NZ sing N N 303 +LYS CE HE2 sing N N 304 +LYS CE HE3 sing N N 305 +LYS NZ HZ1 sing N N 306 +LYS NZ HZ2 sing N N 307 +LYS NZ HZ3 sing N N 308 +LYS OXT HXT sing N N 309 +MET N CA sing N N 310 +MET N H sing N N 311 +MET N H2 sing N N 312 +MET CA C sing N N 313 +MET CA CB sing N N 314 +MET CA HA sing N N 315 +MET C O doub N N 316 +MET C OXT sing N N 317 +MET CB CG sing N N 318 +MET CB HB2 sing N N 319 +MET CB HB3 sing N N 320 +MET CG SD sing N N 321 +MET CG HG2 sing N N 322 +MET CG HG3 sing N N 323 +MET SD CE sing N N 324 +MET CE HE1 sing N N 325 +MET CE HE2 sing N N 326 +MET CE HE3 sing N N 327 +MET OXT HXT sing N N 328 +MSE N CA sing N N 329 +MSE N H sing N N 330 +MSE N H2 sing N N 331 +MSE CA C sing N N 332 +MSE CA CB sing N N 333 +MSE CA HA sing N N 334 +MSE C O doub N N 335 +MSE C OXT sing N N 336 +MSE OXT HXT sing N N 337 +MSE CB CG sing N N 338 +MSE CB HB2 sing N N 339 +MSE CB HB3 sing N N 340 +MSE CG SE sing N N 341 +MSE CG HG2 sing N N 342 +MSE CG HG3 sing N N 343 +MSE SE CE sing N N 344 +MSE CE HE1 sing N N 345 +MSE CE HE2 sing N N 346 +MSE CE HE3 sing N N 347 +NCO CO N1 sing N N 348 +NCO CO N2 sing N N 349 +NCO CO N3 sing N N 350 +NCO CO N4 sing N N 351 +NCO CO N5 sing N N 352 +NCO CO N6 sing N N 353 +NCO N1 HN11 sing N N 354 +NCO N1 HN12 sing N N 355 +NCO N1 HN13 sing N N 356 +NCO N2 HN21 sing N N 357 +NCO N2 HN22 sing N N 358 +NCO N2 HN23 sing N N 359 +NCO N3 HN31 sing N N 360 +NCO N3 HN32 sing N N 361 +NCO N3 HN33 sing N N 362 +NCO N4 HN41 sing N N 363 +NCO N4 HN42 sing N N 364 +NCO N4 HN43 sing N N 365 +NCO N5 HN51 sing N N 366 +NCO N5 HN52 sing N N 367 +NCO N5 HN53 sing N N 368 +NCO N6 HN61 sing N N 369 +NCO N6 HN62 sing N N 370 +NCO N6 HN63 sing N N 371 +PHE N CA sing N N 372 +PHE N H sing N N 373 +PHE N H2 sing N N 374 +PHE CA C sing N N 375 +PHE CA CB sing N N 376 +PHE CA HA sing N N 377 +PHE C O doub N N 378 +PHE C OXT sing N N 379 +PHE CB CG sing N N 380 +PHE CB HB2 sing N N 381 +PHE CB HB3 sing N N 382 +PHE CG CD1 doub Y N 383 +PHE CG CD2 sing Y N 384 +PHE CD1 CE1 sing Y N 385 +PHE CD1 HD1 sing N N 386 +PHE CD2 CE2 doub Y N 387 +PHE CD2 HD2 sing N N 388 +PHE CE1 CZ doub Y N 389 +PHE CE1 HE1 sing N N 390 +PHE CE2 CZ sing Y N 391 +PHE CE2 HE2 sing N N 392 +PHE CZ HZ sing N N 393 +PHE OXT HXT sing N N 394 +PRO N CA sing N N 395 +PRO N CD sing N N 396 +PRO N H sing N N 397 +PRO CA C sing N N 398 +PRO CA CB sing N N 399 +PRO CA HA sing N N 400 +PRO C O doub N N 401 +PRO C OXT sing N N 402 +PRO CB CG sing N N 403 +PRO CB HB2 sing N N 404 +PRO CB HB3 sing N N 405 +PRO CG CD sing N N 406 +PRO CG HG2 sing N N 407 +PRO CG HG3 sing N N 408 +PRO CD HD2 sing N N 409 +PRO CD HD3 sing N N 410 +PRO OXT HXT sing N N 411 +SER N CA sing N N 412 +SER N H sing N N 413 +SER N H2 sing N N 414 +SER CA C sing N N 415 +SER CA CB sing N N 416 +SER CA HA sing N N 417 +SER C O doub N N 418 +SER C OXT sing N N 419 +SER CB OG sing N N 420 +SER CB HB2 sing N N 421 +SER CB HB3 sing N N 422 +SER OG HG sing N N 423 +SER OXT HXT sing N N 424 +THR N CA sing N N 425 +THR N H sing N N 426 +THR N H2 sing N N 427 +THR CA C sing N N 428 +THR CA CB sing N N 429 +THR CA HA sing N N 430 +THR C O doub N N 431 +THR C OXT sing N N 432 +THR CB OG1 sing N N 433 +THR CB CG2 sing N N 434 +THR CB HB sing N N 435 +THR OG1 HG1 sing N N 436 +THR CG2 HG21 sing N N 437 +THR CG2 HG22 sing N N 438 +THR CG2 HG23 sing N N 439 +THR OXT HXT sing N N 440 +U OP3 P sing N N 441 +U OP3 HOP3 sing N N 442 +U P OP1 doub N N 443 +U P OP2 sing N N 444 +U P "O5'" sing N N 445 +U OP2 HOP2 sing N N 446 +U "O5'" "C5'" sing N N 447 +U "C5'" "C4'" sing N N 448 +U "C5'" "H5'" sing N N 449 +U "C5'" "H5''" sing N N 450 +U "C4'" "O4'" sing N N 451 +U "C4'" "C3'" sing N N 452 +U "C4'" "H4'" sing N N 453 +U "O4'" "C1'" sing N N 454 +U "C3'" "O3'" sing N N 455 +U "C3'" "C2'" sing N N 456 +U "C3'" "H3'" sing N N 457 +U "O3'" "HO3'" sing N N 458 +U "C2'" "O2'" sing N N 459 +U "C2'" "C1'" sing N N 460 +U "C2'" "H2'" sing N N 461 +U "O2'" "HO2'" sing N N 462 +U "C1'" N1 sing N N 463 +U "C1'" "H1'" sing N N 464 +U N1 C2 sing N N 465 +U N1 C6 sing N N 466 +U C2 O2 doub N N 467 +U C2 N3 sing N N 468 +U N3 C4 sing N N 469 +U N3 H3 sing N N 470 +U C4 O4 doub N N 471 +U C4 C5 sing N N 472 +U C5 C6 doub N N 473 +U C5 H5 sing N N 474 +U C6 H6 sing N N 475 +VAL N CA sing N N 476 +VAL N H sing N N 477 +VAL N H2 sing N N 478 +VAL CA C sing N N 479 +VAL CA CB sing N N 480 +VAL CA HA sing N N 481 +VAL C O doub N N 482 +VAL C OXT sing N N 483 +VAL CB CG1 sing N N 484 +VAL CB CG2 sing N N 485 +VAL CB HB sing N N 486 +VAL CG1 HG11 sing N N 487 +VAL CG1 HG12 sing N N 488 +VAL CG1 HG13 sing N N 489 +VAL CG2 HG21 sing N N 490 +VAL CG2 HG22 sing N N 491 +VAL CG2 HG23 sing N N 492 +VAL OXT HXT sing N N 493 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +2PXE 'double helix' +2PXE 'a-form double helix' +2PXE tetraloop +2PXE 'mismatched base pair' +2PXE 'internal loop' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A G 1 1_555 A C 49 1_555 0.430 -0.146 -0.291 -5.131 -9.877 0.425 1 B_G130:C178_B B 130 ? B 178 ? 19 1 +1 A G 2 1_555 A C 48 1_555 -0.515 -0.365 0.226 -2.105 -15.379 0.819 2 B_G131:C177_B B 131 ? B 177 ? 19 1 +1 A G 3 1_555 A U 47 1_555 -2.143 -0.424 -0.122 -3.435 -9.325 0.222 3 B_G132:U176_B B 132 ? B 176 ? 28 1 +1 A U 4 1_555 A G 46 1_555 2.143 -0.737 0.106 -0.618 -5.574 1.018 4 B_U133:G175_B B 133 ? B 175 ? 28 1 +1 A C 5 1_555 A G 45 1_555 0.097 -0.411 -0.083 -0.677 -12.720 0.600 5 B_C134:G174_B B 134 ? B 174 ? 19 1 +1 A U 6 1_555 A A 44 1_555 0.079 -0.272 0.054 0.944 -7.167 -3.760 6 B_U135:A173_B B 135 ? B 173 ? 20 1 +1 A G 7 1_555 A C 43 1_555 -0.465 -0.158 0.099 3.212 -13.783 -2.689 7 B_G136:C172_B B 136 ? B 172 ? 19 1 +1 A U 8 1_555 A G 42 1_555 2.373 -0.737 0.163 4.614 -9.977 -0.852 8 B_U137:G171_B B 137 ? B 171 ? 28 1 +1 A U 9 1_555 A G 41 1_555 2.029 -0.717 0.041 -2.104 -19.792 -0.024 9 B_U138:G170_B B 138 ? B 170 ? 28 1 +1 A U 10 1_555 A A 40 1_555 0.216 -0.270 0.198 -1.736 -3.990 -3.279 10 B_U139:A169_B B 139 ? B 169 ? 20 1 +1 A G 15 1_555 A C 38 1_555 -0.050 -0.171 0.039 -9.958 -12.585 -0.629 11 B_G144:C167_B B 144 ? B 167 ? 19 1 +1 A G 16 1_555 A C 37 1_555 -0.409 -0.179 -0.136 -17.046 -13.163 0.035 12 B_G145:C166_B B 145 ? B 166 ? 19 1 +1 A U 17 1_555 A G 36 1_555 2.402 -0.842 0.151 -5.492 -7.439 -8.549 13 B_U146:G165_B B 146 ? B 165 ? 28 ? +1 A C 18 1_555 A A 35 1_555 6.445 -3.879 -0.148 -3.997 -14.104 -27.483 14 B_C147:A164_B B 147 ? B 164 ? ? 6 +1 A A 19 1_555 A C 34 1_555 -3.059 -0.613 -0.712 -4.626 -17.631 -92.640 15 B_A148:C163_B B 148 ? B 163 ? 25 4 +1 A G 20 1_555 A G 33 1_555 -6.943 -1.993 0.434 4.936 -7.271 -18.417 16 B_G149:G162_B B 149 ? B 162 ? ? ? +1 A G 21 1_555 A A 32 1_555 -0.155 1.361 -0.443 8.116 -11.622 -16.897 17 B_G150:A161_B B 150 ? B 161 ? 8 ? +1 A U 22 1_555 A A 31 1_555 -0.189 -0.036 -0.113 12.940 -3.991 -7.319 18 B_U151:A160_B B 151 ? B 160 ? 20 1 +1 A C 23 1_555 A G 30 1_555 0.159 -0.453 -0.210 8.509 -10.072 1.454 19 B_C152:G159_B B 152 ? B 159 ? 19 1 +1 A C 24 1_555 A G 29 1_555 -0.147 -0.305 -0.380 4.900 -0.047 1.534 20 B_C153:G158_B B 153 ? B 158 ? 19 1 +1 A G 25 1_555 A A 28 1_555 6.890 -4.769 0.890 8.555 -7.966 -12.399 21 B_G154:A157_B B 154 ? B 157 ? ? 10 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A G 1 1_555 A C 49 1_555 A G 2 1_555 A C 48 1_555 0.157 -1.186 2.892 -5.558 9.205 34.372 -3.019 -0.917 2.450 15.125 9.132 +35.966 1 BB_G130G131:C177C178_BB B 130 ? B 178 ? B 131 ? B 177 ? +1 A G 2 1_555 A C 48 1_555 A G 3 1_555 A U 47 1_555 -0.316 -2.074 3.005 -2.423 13.529 26.474 -6.233 0.221 1.778 27.325 4.894 +29.772 2 BB_G131G132:U176C177_BB B 131 ? B 177 ? B 132 ? B 176 ? +1 A G 3 1_555 A U 47 1_555 A U 4 1_555 A G 46 1_555 0.148 -1.096 3.190 -1.425 6.709 47.181 -1.869 -0.292 3.011 8.330 1.770 +47.649 3 BB_G132U133:G175U176_BB B 132 ? B 176 ? B 133 ? B 175 ? +1 A U 4 1_555 A G 46 1_555 A C 5 1_555 A G 45 1_555 -0.164 -2.178 2.934 3.626 10.370 24.820 -6.651 1.050 1.849 22.755 -7.956 +27.108 4 BB_U133C134:G174G175_BB B 133 ? B 175 ? B 134 ? B 174 ? +1 A C 5 1_555 A G 45 1_555 A U 6 1_555 A A 44 1_555 -0.066 -1.554 3.176 -0.923 6.809 32.994 -3.707 -0.025 2.810 11.829 1.604 +33.682 5 BB_C134U135:A173G174_BB B 134 ? B 174 ? B 135 ? B 173 ? +1 A U 6 1_555 A A 44 1_555 A G 7 1_555 A C 43 1_555 -0.388 -1.786 3.080 0.333 9.526 24.256 -6.160 0.938 2.224 21.632 -0.755 +26.036 6 BB_U135G136:C172A173_BB B 135 ? B 173 ? B 136 ? B 172 ? +1 A G 7 1_555 A C 43 1_555 A U 8 1_555 A G 42 1_555 0.589 -1.385 3.264 -0.480 5.686 43.762 -2.362 -0.828 3.063 7.590 0.641 +44.114 7 BB_G136U137:G171C172_BB B 136 ? B 172 ? B 137 ? B 171 ? +1 A U 8 1_555 A G 42 1_555 A U 9 1_555 A G 41 1_555 -0.192 -1.980 3.074 8.220 9.571 35.040 -4.201 1.241 2.369 15.297 -13.137 +37.175 8 BB_U137U138:G170G171_BB B 137 ? B 171 ? B 138 ? B 170 ? +1 A U 9 1_555 A G 41 1_555 A U 10 1_555 A A 40 1_555 -0.278 -1.278 3.249 0.570 9.487 26.350 -4.728 0.701 2.632 20.002 -1.203 +27.983 9 BB_U138U139:A169G170_BB B 138 ? B 170 ? B 139 ? B 169 ? +1 A G 15 1_555 A C 38 1_555 A G 16 1_555 A C 37 1_555 -0.774 -1.861 3.273 1.924 8.092 32.429 -4.473 1.640 2.695 14.200 -3.376 +33.451 10 BB_G144G145:C166C167_BB B 144 ? B 167 ? B 145 ? B 166 ? +1 A G 16 1_555 A C 37 1_555 A U 17 1_555 A G 36 1_555 -0.379 -0.765 2.902 -1.307 8.197 41.813 -1.771 0.407 2.722 11.351 1.809 +42.592 11 BB_G145U146:G165C166_BB B 145 ? B 166 ? B 146 ? B 165 ? +1 A U 17 1_555 A G 36 1_555 A C 18 1_555 A A 35 1_555 0.648 -2.049 3.455 2.520 -1.333 41.167 -2.753 -0.628 3.549 -1.893 -3.578 +41.261 12 BB_U146C147:A164G165_BB B 146 ? B 165 ? B 147 ? B 164 ? +1 A C 18 1_555 A A 35 1_555 A A 19 1_555 A C 34 1_555 -4.554 -0.317 3.075 -1.330 14.872 10.092 -9.233 13.816 1.802 55.906 5.001 +18.006 13 BB_C147A148:C163A164_BB B 147 ? B 164 ? B 148 ? B 163 ? +1 A A 19 1_555 A C 34 1_555 A G 20 1_555 A G 33 1_555 5.154 -1.219 2.944 -0.859 5.532 27.338 -3.636 -10.863 2.494 11.552 1.793 +27.895 14 BB_A148G149:G162C163_BB B 148 ? B 163 ? B 149 ? B 162 ? +1 A G 20 1_555 A G 33 1_555 A G 21 1_555 A A 32 1_555 -0.164 -1.642 3.379 0.280 8.014 52.404 -2.355 0.202 3.114 9.015 -0.315 +52.971 15 BB_G149G150:A161G162_BB B 149 ? B 162 ? B 150 ? B 161 ? +1 A G 21 1_555 A A 32 1_555 A U 22 1_555 A A 31 1_555 0.804 -2.346 3.250 -5.273 -1.458 24.947 -4.897 -3.307 3.146 -3.324 12.023 +25.530 16 BB_G150U151:A160A161_BB B 150 ? B 161 ? B 151 ? B 160 ? +1 A U 22 1_555 A A 31 1_555 A C 23 1_555 A G 30 1_555 0.107 -1.873 3.387 -2.380 3.883 34.428 -3.735 -0.545 3.149 6.525 4.000 +34.719 17 BB_U151C152:G159A160_BB B 151 ? B 160 ? B 152 ? B 159 ? +1 A C 23 1_555 A G 30 1_555 A C 24 1_555 A G 29 1_555 -0.167 -2.197 3.389 -0.724 5.780 31.162 -5.064 0.176 2.947 10.643 1.332 +31.688 18 BB_C152C153:G158G159_BB B 152 ? B 159 ? B 153 ? B 158 ? +1 A C 24 1_555 A G 29 1_555 A G 25 1_555 A A 28 1_555 -2.526 -1.072 3.200 -4.858 9.946 45.792 -2.149 2.771 3.152 12.566 6.139 +47.040 19 BB_C153G154:A157G158_BB B 153 ? B 158 ? B 154 ? B 157 ? +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 1DUL +_pdbx_initial_refinement_model.details 'PDB 1DUL' +# +_atom_sites.entry_id 2PXE +_atom_sites.fract_transf_matrix[1][1] 0.007548 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000614 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.013622 +_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] 0.030256 +_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 +CO +N +O +P +SE +# +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 O "O5'" . G A 1 1 ? 1.914 10.185 6.400 1.00 46.30 ? 130 G B "O5'" 1 +ATOM 2 C "C5'" . G A 1 1 ? 1.608 8.900 6.942 1.00 44.50 ? 130 G B "C5'" 1 +ATOM 3 C "C4'" . G A 1 1 ? 1.667 7.829 5.883 1.00 43.52 ? 130 G B "C4'" 1 +ATOM 4 O "O4'" . G A 1 1 ? 0.702 8.128 4.839 1.00 42.83 ? 130 G B "O4'" 1 +ATOM 5 C "C3'" . G A 1 1 ? 2.984 7.723 5.136 1.00 42.47 ? 130 G B "C3'" 1 +ATOM 6 O "O3'" . G A 1 1 ? 3.904 6.927 5.861 1.00 42.63 ? 130 G B "O3'" 1 +ATOM 7 C "C2'" . G A 1 1 ? 2.557 7.030 3.853 1.00 41.38 ? 130 G B "C2'" 1 +ATOM 8 O "O2'" . G A 1 1 ? 2.343 5.652 4.066 1.00 40.02 ? 130 G B "O2'" 1 +ATOM 9 C "C1'" . G A 1 1 ? 1.214 7.710 3.583 1.00 41.87 ? 130 G B "C1'" 1 +ATOM 10 N N9 . G A 1 1 ? 1.314 8.883 2.718 1.00 36.32 ? 130 G B N9 1 +ATOM 11 C C8 . G A 1 1 ? 1.220 10.203 3.096 1.00 36.68 ? 130 G B C8 1 +ATOM 12 N N7 . G A 1 1 ? 1.335 11.034 2.092 1.00 36.78 ? 130 G B N7 1 +ATOM 13 C C5 . G A 1 1 ? 1.518 10.214 0.987 1.00 35.83 ? 130 G B C5 1 +ATOM 14 C C6 . G A 1 1 ? 1.687 10.545 -0.378 1.00 36.12 ? 130 G B C6 1 +ATOM 15 O O6 . G A 1 1 ? 1.717 11.671 -0.902 1.00 37.17 ? 130 G B O6 1 +ATOM 16 N N1 . G A 1 1 ? 1.827 9.405 -1.166 1.00 35.41 ? 130 G B N1 1 +ATOM 17 C C2 . G A 1 1 ? 1.804 8.113 -0.698 1.00 35.13 ? 130 G B C2 1 +ATOM 18 N N2 . G A 1 1 ? 1.938 7.149 -1.614 1.00 34.28 ? 130 G B N2 1 +ATOM 19 N N3 . G A 1 1 ? 1.654 7.792 0.575 1.00 35.66 ? 130 G B N3 1 +ATOM 20 C C4 . G A 1 1 ? 1.513 8.884 1.355 1.00 35.80 ? 130 G B C4 1 +ATOM 21 P P . G A 1 2 ? 5.482 7.155 5.663 1.00 35.96 ? 131 G B P 1 +ATOM 22 O OP1 . G A 1 2 ? 6.172 6.294 6.657 1.00 35.05 ? 131 G B OP1 1 +ATOM 23 O OP2 . G A 1 2 ? 5.733 8.625 5.649 1.00 34.41 ? 131 G B OP2 1 +ATOM 24 O "O5'" . G A 1 2 ? 5.787 6.568 4.212 1.00 35.07 ? 131 G B "O5'" 1 +ATOM 25 C "C5'" . G A 1 2 ? 5.843 5.160 3.992 1.00 31.53 ? 131 G B "C5'" 1 +ATOM 26 C "C4'" . G A 1 2 ? 6.025 4.858 2.520 1.00 29.44 ? 131 G B "C4'" 1 +ATOM 27 O "O4'" . G A 1 2 ? 4.874 5.350 1.783 1.00 27.66 ? 131 G B "O4'" 1 +ATOM 28 C "C3'" . G A 1 2 ? 7.201 5.525 1.823 1.00 28.98 ? 131 G B "C3'" 1 +ATOM 29 O "O3'" . G A 1 2 ? 8.433 4.847 2.054 1.00 29.47 ? 131 G B "O3'" 1 +ATOM 30 C "C2'" . G A 1 2 ? 6.763 5.460 0.365 1.00 28.17 ? 131 G B "C2'" 1 +ATOM 31 O "O2'" . G A 1 2 ? 6.906 4.189 -0.235 1.00 27.23 ? 131 G B "O2'" 1 +ATOM 32 C "C1'" . G A 1 2 ? 5.281 5.790 0.501 1.00 27.55 ? 131 G B "C1'" 1 +ATOM 33 N N9 . G A 1 2 ? 5.085 7.229 0.441 1.00 26.19 ? 131 G B N9 1 +ATOM 34 C C8 . G A 1 2 ? 4.799 8.069 1.484 1.00 26.30 ? 131 G B C8 1 +ATOM 35 N N7 . G A 1 2 ? 4.709 9.318 1.119 1.00 27.29 ? 131 G B N7 1 +ATOM 36 C C5 . G A 1 2 ? 4.942 9.294 -0.248 1.00 24.74 ? 131 G B C5 1 +ATOM 37 C C6 . G A 1 2 ? 4.962 10.349 -1.190 1.00 25.20 ? 131 G B C6 1 +ATOM 38 O O6 . G A 1 2 ? 4.752 11.555 -0.993 1.00 26.56 ? 131 G B O6 1 +ATOM 39 N N1 . G A 1 2 ? 5.249 9.887 -2.476 1.00 24.41 ? 131 G B N1 1 +ATOM 40 C C2 . G A 1 2 ? 5.471 8.569 -2.804 1.00 24.94 ? 131 G B C2 1 +ATOM 41 N N2 . G A 1 2 ? 5.736 8.303 -4.095 1.00 23.65 ? 131 G B N2 1 +ATOM 42 N N3 . G A 1 2 ? 5.437 7.577 -1.929 1.00 25.03 ? 131 G B N3 1 +ATOM 43 C C4 . G A 1 2 ? 5.173 8.013 -0.680 1.00 24.63 ? 131 G B C4 1 +ATOM 44 P P . G A 1 3 ? 9.802 5.685 2.092 1.00 27.90 ? 132 G B P 1 +ATOM 45 O OP1 . G A 1 3 ? 10.889 4.825 2.624 1.00 32.45 ? 132 G B OP1 1 +ATOM 46 O OP2 . G A 1 3 ? 9.497 6.971 2.763 1.00 32.98 ? 132 G B OP2 1 +ATOM 47 O "O5'" . G A 1 3 ? 10.110 6.012 0.561 1.00 27.02 ? 132 G B "O5'" 1 +ATOM 48 C "C5'" . G A 1 3 ? 10.520 4.985 -0.333 1.00 26.10 ? 132 G B "C5'" 1 +ATOM 49 C "C4'" . G A 1 3 ? 10.768 5.544 -1.717 1.00 25.18 ? 132 G B "C4'" 1 +ATOM 50 O "O4'" . G A 1 3 ? 9.549 6.117 -2.258 1.00 24.96 ? 132 G B "O4'" 1 +ATOM 51 C "C3'" . G A 1 3 ? 11.751 6.691 -1.821 1.00 26.38 ? 132 G B "C3'" 1 +ATOM 52 O "O3'" . G A 1 3 ? 13.089 6.222 -1.783 1.00 26.86 ? 132 G B "O3'" 1 +ATOM 53 C "C2'" . G A 1 3 ? 11.399 7.260 -3.187 1.00 25.01 ? 132 G B "C2'" 1 +ATOM 54 O "O2'" . G A 1 3 ? 11.885 6.433 -4.221 1.00 25.73 ? 132 G B "O2'" 1 +ATOM 55 C "C1'" . G A 1 3 ? 9.876 7.171 -3.156 1.00 23.80 ? 132 G B "C1'" 1 +ATOM 56 N N9 . G A 1 3 ? 9.254 8.398 -2.672 1.00 25.96 ? 132 G B N9 1 +ATOM 57 C C8 . G A 1 3 ? 8.684 8.603 -1.442 1.00 25.39 ? 132 G B C8 1 +ATOM 58 N N7 . G A 1 3 ? 8.209 9.811 -1.293 1.00 26.28 ? 132 G B N7 1 +ATOM 59 C C5 . G A 1 3 ? 8.481 10.442 -2.498 1.00 24.64 ? 132 G B C5 1 +ATOM 60 C C6 . G A 1 3 ? 8.216 11.778 -2.926 1.00 24.92 ? 132 G B C6 1 +ATOM 61 O O6 . G A 1 3 ? 7.674 12.706 -2.298 1.00 23.55 ? 132 G B O6 1 +ATOM 62 N N1 . G A 1 3 ? 8.663 11.992 -4.225 1.00 24.24 ? 132 G B N1 1 +ATOM 63 C C2 . G A 1 3 ? 9.285 11.057 -5.009 1.00 23.68 ? 132 G B C2 1 +ATOM 64 N N2 . G A 1 3 ? 9.625 11.452 -6.237 1.00 24.64 ? 132 G B N2 1 +ATOM 65 N N3 . G A 1 3 ? 9.551 9.823 -4.620 1.00 25.83 ? 132 G B N3 1 +ATOM 66 C C4 . G A 1 3 ? 9.123 9.584 -3.362 1.00 25.76 ? 132 G B C4 1 +ATOM 67 P P . U A 1 4 ? 14.197 7.068 -0.991 1.00 31.47 ? 133 U B P 1 +ATOM 68 O OP1 . U A 1 4 ? 15.486 6.338 -1.102 1.00 26.51 ? 133 U B OP1 1 +ATOM 69 O OP2 . U A 1 4 ? 13.629 7.358 0.349 1.00 27.02 ? 133 U B OP2 1 +ATOM 70 O "O5'" . U A 1 4 ? 14.295 8.430 -1.814 1.00 30.05 ? 133 U B "O5'" 1 +ATOM 71 C "C5'" . U A 1 4 ? 14.591 8.400 -3.205 1.00 28.39 ? 133 U B "C5'" 1 +ATOM 72 C "C4'" . U A 1 4 ? 14.437 9.770 -3.822 1.00 27.46 ? 133 U B "C4'" 1 +ATOM 73 O "O4'" . U A 1 4 ? 13.037 10.128 -3.935 1.00 28.03 ? 133 U B "O4'" 1 +ATOM 74 C "C3'" . U A 1 4 ? 15.067 10.923 -3.069 1.00 27.16 ? 133 U B "C3'" 1 +ATOM 75 O "O3'" . U A 1 4 ? 16.460 10.991 -3.359 1.00 27.54 ? 133 U B "O3'" 1 +ATOM 76 C "C2'" . U A 1 4 ? 14.305 12.113 -3.642 1.00 26.54 ? 133 U B "C2'" 1 +ATOM 77 O "O2'" . U A 1 4 ? 14.806 12.506 -4.900 1.00 28.62 ? 133 U B "O2'" 1 +ATOM 78 C "C1'" . U A 1 4 ? 12.898 11.533 -3.806 1.00 25.07 ? 133 U B "C1'" 1 +ATOM 79 N N1 . U A 1 4 ? 12.054 11.795 -2.638 1.00 18.00 ? 133 U B N1 1 +ATOM 80 C C2 . U A 1 4 ? 11.446 13.033 -2.541 1.00 18.37 ? 133 U B C2 1 +ATOM 81 O O2 . U A 1 4 ? 11.542 13.901 -3.401 1.00 18.00 ? 133 U B O2 1 +ATOM 82 N N3 . U A 1 4 ? 10.714 13.222 -1.401 1.00 17.83 ? 133 U B N3 1 +ATOM 83 C C4 . U A 1 4 ? 10.525 12.321 -0.375 1.00 18.36 ? 133 U B C4 1 +ATOM 84 O O4 . U A 1 4 ? 9.936 12.685 0.642 1.00 17.57 ? 133 U B O4 1 +ATOM 85 C C5 . U A 1 4 ? 11.165 11.052 -0.568 1.00 18.90 ? 133 U B C5 1 +ATOM 86 C C6 . U A 1 4 ? 11.889 10.842 -1.667 1.00 17.37 ? 133 U B C6 1 +ATOM 87 P P . C A 1 5 ? 17.442 11.849 -2.410 1.00 26.31 ? 134 C B P 1 +ATOM 88 O OP1 . C A 1 5 ? 18.823 11.624 -2.912 1.00 26.52 ? 134 C B OP1 1 +ATOM 89 O OP2 . C A 1 5 ? 17.124 11.540 -1.002 1.00 24.87 ? 134 C B OP2 1 +ATOM 90 O "O5'" . C A 1 5 ? 17.046 13.376 -2.684 1.00 23.77 ? 134 C B "O5'" 1 +ATOM 91 C "C5'" . C A 1 5 ? 17.333 13.984 -3.940 1.00 21.34 ? 134 C B "C5'" 1 +ATOM 92 C "C4'" . C A 1 5 ? 16.776 15.392 -4.006 1.00 19.46 ? 134 C B "C4'" 1 +ATOM 93 O "O4'" . C A 1 5 ? 15.327 15.379 -3.984 1.00 19.24 ? 134 C B "O4'" 1 +ATOM 94 C "C3'" . C A 1 5 ? 17.131 16.334 -2.875 1.00 19.26 ? 134 C B "C3'" 1 +ATOM 95 O "O3'" . C A 1 5 ? 18.414 16.877 -3.084 1.00 20.12 ? 134 C B "O3'" 1 +ATOM 96 C "C2'" . C A 1 5 ? 16.079 17.415 -3.057 1.00 19.36 ? 134 C B "C2'" 1 +ATOM 97 O "O2'" . C A 1 5 ? 16.384 18.259 -4.149 1.00 20.12 ? 134 C B "O2'" 1 +ATOM 98 C "C1'" . C A 1 5 ? 14.850 16.574 -3.392 1.00 17.01 ? 134 C B "C1'" 1 +ATOM 99 N N1 . C A 1 5 ? 14.071 16.223 -2.191 1.00 15.94 ? 134 C B N1 1 +ATOM 100 C C2 . C A 1 5 ? 13.197 17.168 -1.661 1.00 14.38 ? 134 C B C2 1 +ATOM 101 O O2 . C A 1 5 ? 13.130 18.284 -2.198 1.00 15.43 ? 134 C B O2 1 +ATOM 102 N N3 . C A 1 5 ? 12.457 16.852 -0.579 1.00 13.08 ? 134 C B N3 1 +ATOM 103 C C4 . C A 1 5 ? 12.579 15.650 -0.019 1.00 13.91 ? 134 C B C4 1 +ATOM 104 N N4 . C A 1 5 ? 11.815 15.371 1.036 1.00 12.29 ? 134 C B N4 1 +ATOM 105 C C5 . C A 1 5 ? 13.485 14.676 -0.518 1.00 13.76 ? 134 C B C5 1 +ATOM 106 C C6 . C A 1 5 ? 14.199 14.997 -1.601 1.00 15.69 ? 134 C B C6 1 +ATOM 107 P P . U A 1 6 ? 19.291 17.334 -1.832 1.00 19.15 ? 135 U B P 1 +ATOM 108 O OP1 . U A 1 6 ? 20.628 17.664 -2.373 1.00 19.20 ? 135 U B OP1 1 +ATOM 109 O OP2 . U A 1 6 ? 19.166 16.338 -0.737 1.00 20.74 ? 135 U B OP2 1 +ATOM 110 O "O5'" . U A 1 6 ? 18.574 18.652 -1.315 1.00 19.83 ? 135 U B "O5'" 1 +ATOM 111 C "C5'" . U A 1 6 ? 18.680 19.865 -2.035 1.00 19.86 ? 135 U B "C5'" 1 +ATOM 112 C "C4'" . U A 1 6 ? 17.786 20.910 -1.414 1.00 20.36 ? 135 U B "C4'" 1 +ATOM 113 O "O4'" . U A 1 6 ? 16.410 20.436 -1.421 1.00 18.63 ? 135 U B "O4'" 1 +ATOM 114 C "C3'" . U A 1 6 ? 18.021 21.218 0.054 1.00 19.63 ? 135 U B "C3'" 1 +ATOM 115 O "O3'" . U A 1 6 ? 19.119 22.100 0.243 1.00 18.61 ? 135 U B "O3'" 1 +ATOM 116 C "C2'" . U A 1 6 ? 16.709 21.895 0.413 1.00 18.92 ? 135 U B "C2'" 1 +ATOM 117 O "O2'" . U A 1 6 ? 16.644 23.189 -0.142 1.00 18.45 ? 135 U B "O2'" 1 +ATOM 118 C "C1'" . U A 1 6 ? 15.710 21.004 -0.324 1.00 17.59 ? 135 U B "C1'" 1 +ATOM 119 N N1 . U A 1 6 ? 15.204 19.920 0.526 1.00 17.09 ? 135 U B N1 1 +ATOM 120 C C2 . U A 1 6 ? 14.196 20.231 1.427 1.00 16.74 ? 135 U B C2 1 +ATOM 121 O O2 . U A 1 6 ? 13.737 21.358 1.542 1.00 20.26 ? 135 U B O2 1 +ATOM 122 N N3 . U A 1 6 ? 13.753 19.183 2.190 1.00 13.58 ? 135 U B N3 1 +ATOM 123 C C4 . U A 1 6 ? 14.212 17.882 2.159 1.00 16.86 ? 135 U B C4 1 +ATOM 124 O O4 . U A 1 6 ? 13.711 17.046 2.914 1.00 20.25 ? 135 U B O4 1 +ATOM 125 C C5 . U A 1 6 ? 15.262 17.637 1.211 1.00 16.60 ? 135 U B C5 1 +ATOM 126 C C6 . U A 1 6 ? 15.708 18.641 0.441 1.00 16.53 ? 135 U B C6 1 +ATOM 127 P P . G A 1 7 ? 20.036 21.946 1.548 1.00 21.32 ? 136 G B P 1 +ATOM 128 O OP1 . G A 1 7 ? 21.330 22.620 1.301 1.00 18.47 ? 136 G B OP1 1 +ATOM 129 O OP2 . G A 1 7 ? 20.011 20.510 1.944 1.00 16.30 ? 136 G B OP2 1 +ATOM 130 O "O5'" . G A 1 7 ? 19.271 22.767 2.671 1.00 22.23 ? 136 G B "O5'" 1 +ATOM 131 C "C5'" . G A 1 7 ? 19.036 24.154 2.516 1.00 21.54 ? 136 G B "C5'" 1 +ATOM 132 C "C4'" . G A 1 7 ? 17.939 24.611 3.453 1.00 21.06 ? 136 G B "C4'" 1 +ATOM 133 O "O4'" . G A 1 7 ? 16.702 23.925 3.131 1.00 18.85 ? 136 G B "O4'" 1 +ATOM 134 C "C3'" . G A 1 7 ? 18.119 24.322 4.931 1.00 21.09 ? 136 G B "C3'" 1 +ATOM 135 O "O3'" . G A 1 7 ? 18.963 25.280 5.548 1.00 21.82 ? 136 G B "O3'" 1 +ATOM 136 C "C2'" . G A 1 7 ? 16.692 24.483 5.432 1.00 21.57 ? 136 G B "C2'" 1 +ATOM 137 O "O2'" . G A 1 7 ? 16.329 25.842 5.563 1.00 21.61 ? 136 G B "O2'" 1 +ATOM 138 C "C1'" . G A 1 7 ? 15.905 23.826 4.297 1.00 19.54 ? 136 G B "C1'" 1 +ATOM 139 N N9 . G A 1 7 ? 15.664 22.414 4.590 1.00 15.53 ? 136 G B N9 1 +ATOM 140 C C8 . G A 1 7 ? 16.340 21.313 4.112 1.00 11.44 ? 136 G B C8 1 +ATOM 141 N N7 . G A 1 7 ? 15.915 20.189 4.630 1.00 12.12 ? 136 G B N7 1 +ATOM 142 C C5 . G A 1 7 ? 14.890 20.573 5.490 1.00 11.51 ? 136 G B C5 1 +ATOM 143 C C6 . G A 1 7 ? 14.057 19.799 6.347 1.00 10.24 ? 136 G B C6 1 +ATOM 144 O O6 . G A 1 7 ? 14.032 18.576 6.509 1.00 9.81 ? 136 G B O6 1 +ATOM 145 N N1 . G A 1 7 ? 13.177 20.604 7.058 1.00 12.41 ? 136 G B N1 1 +ATOM 146 C C2 . G A 1 7 ? 13.088 21.974 6.943 1.00 12.91 ? 136 G B C2 1 +ATOM 147 N N2 . G A 1 7 ? 12.182 22.581 7.716 1.00 14.68 ? 136 G B N2 1 +ATOM 148 N N3 . G A 1 7 ? 13.831 22.693 6.139 1.00 10.00 ? 136 G B N3 1 +ATOM 149 C C4 . G A 1 7 ? 14.713 21.939 5.458 1.00 11.53 ? 136 G B C4 1 +ATOM 150 P P . U A 1 8 ? 20.047 24.806 6.639 1.00 26.77 ? 137 U B P 1 +ATOM 151 O OP1 . U A 1 8 ? 20.952 25.960 6.888 1.00 20.70 ? 137 U B OP1 1 +ATOM 152 O OP2 . U A 1 8 ? 20.613 23.515 6.160 1.00 18.64 ? 137 U B OP2 1 +ATOM 153 O "O5'" . U A 1 8 ? 19.207 24.544 7.967 1.00 21.65 ? 137 U B "O5'" 1 +ATOM 154 C "C5'" . U A 1 8 ? 18.451 25.589 8.553 1.00 22.92 ? 137 U B "C5'" 1 +ATOM 155 C "C4'" . U A 1 8 ? 17.306 25.019 9.356 1.00 24.96 ? 137 U B "C4'" 1 +ATOM 156 O "O4'" . U A 1 8 ? 16.524 24.121 8.522 1.00 25.73 ? 137 U B "O4'" 1 +ATOM 157 C "C3'" . U A 1 8 ? 17.690 24.176 10.557 1.00 25.09 ? 137 U B "C3'" 1 +ATOM 158 O "O3'" . U A 1 8 ? 17.929 25.026 11.682 1.00 27.98 ? 137 U B "O3'" 1 +ATOM 159 C "C2'" . U A 1 8 ? 16.440 23.326 10.764 1.00 24.69 ? 137 U B "C2'" 1 +ATOM 160 O "O2'" . U A 1 8 ? 15.421 24.021 11.443 1.00 26.06 ? 137 U B "O2'" 1 +ATOM 161 C "C1'" . U A 1 8 ? 15.983 23.081 9.325 1.00 25.26 ? 137 U B "C1'" 1 +ATOM 162 N N1 . U A 1 8 ? 16.414 21.785 8.777 1.00 19.94 ? 137 U B N1 1 +ATOM 163 C C2 . U A 1 8 ? 15.806 20.649 9.259 1.00 18.08 ? 137 U B C2 1 +ATOM 164 O O2 . U A 1 8 ? 14.927 20.673 10.108 1.00 18.15 ? 137 U B O2 1 +ATOM 165 N N3 . U A 1 8 ? 16.256 19.478 8.710 1.00 18.48 ? 137 U B N3 1 +ATOM 166 C C4 . U A 1 8 ? 17.225 19.324 7.744 1.00 19.87 ? 137 U B C4 1 +ATOM 167 O O4 . U A 1 8 ? 17.506 18.191 7.342 1.00 22.32 ? 137 U B O4 1 +ATOM 168 C C5 . U A 1 8 ? 17.807 20.541 7.290 1.00 20.72 ? 137 U B C5 1 +ATOM 169 C C6 . U A 1 8 ? 17.394 21.705 7.810 1.00 21.82 ? 137 U B C6 1 +ATOM 170 P P . U A 1 9 ? 18.986 24.587 12.816 1.00 25.92 ? 138 U B P 1 +ATOM 171 O OP1 . U A 1 9 ? 19.203 25.737 13.719 1.00 25.50 ? 138 U B OP1 1 +ATOM 172 O OP2 . U A 1 9 ? 20.148 23.959 12.138 1.00 23.28 ? 138 U B OP2 1 +ATOM 173 O "O5'" . U A 1 9 ? 18.219 23.461 13.638 1.00 25.57 ? 138 U B "O5'" 1 +ATOM 174 C "C5'" . U A 1 9 ? 17.075 23.779 14.427 1.00 23.77 ? 138 U B "C5'" 1 +ATOM 175 C "C4'" . U A 1 9 ? 16.404 22.510 14.888 1.00 22.64 ? 138 U B "C4'" 1 +ATOM 176 O "O4'" . U A 1 9 ? 16.057 21.717 13.725 1.00 23.28 ? 138 U B "O4'" 1 +ATOM 177 C "C3'" . U A 1 9 ? 17.295 21.587 15.697 1.00 23.45 ? 138 U B "C3'" 1 +ATOM 178 O "O3'" . U A 1 9 ? 17.266 21.979 17.059 1.00 20.78 ? 138 U B "O3'" 1 +ATOM 179 C "C2'" . U A 1 9 ? 16.662 20.213 15.472 1.00 23.17 ? 138 U B "C2'" 1 +ATOM 180 O "O2'" . U A 1 9 ? 15.567 19.946 16.324 1.00 24.98 ? 138 U B "O2'" 1 +ATOM 181 C "C1'" . U A 1 9 ? 16.141 20.337 14.039 1.00 22.53 ? 138 U B "C1'" 1 +ATOM 182 N N1 . U A 1 9 ? 16.951 19.668 13.010 1.00 20.62 ? 138 U B N1 1 +ATOM 183 C C2 . U A 1 9 ? 16.731 18.314 12.795 1.00 20.73 ? 138 U B C2 1 +ATOM 184 O O2 . U A 1 9 ? 15.971 17.649 13.472 1.00 21.66 ? 138 U B O2 1 +ATOM 185 N N3 . U A 1 9 ? 17.450 17.764 11.764 1.00 20.48 ? 138 U B N3 1 +ATOM 186 C C4 . U A 1 9 ? 18.373 18.405 10.957 1.00 21.82 ? 138 U B C4 1 +ATOM 187 O O4 . U A 1 9 ? 18.875 17.794 10.005 1.00 22.42 ? 138 U B O4 1 +ATOM 188 C C5 . U A 1 9 ? 18.585 19.787 11.276 1.00 21.28 ? 138 U B C5 1 +ATOM 189 C C6 . U A 1 9 ? 17.879 20.358 12.266 1.00 22.02 ? 138 U B C6 1 +ATOM 190 P P . U A 1 10 ? 18.573 21.789 17.961 1.00 22.76 ? 139 U B P 1 +ATOM 191 O OP1 . U A 1 10 ? 18.405 22.627 19.172 1.00 19.75 ? 139 U B OP1 1 +ATOM 192 O OP2 . U A 1 10 ? 19.757 21.982 17.092 1.00 15.78 ? 139 U B OP2 1 +ATOM 193 O "O5'" . U A 1 10 ? 18.529 20.255 18.385 1.00 22.06 ? 139 U B "O5'" 1 +ATOM 194 C "C5'" . U A 1 10 ? 17.438 19.725 19.122 1.00 21.38 ? 139 U B "C5'" 1 +ATOM 195 C "C4'" . U A 1 10 ? 17.550 18.220 19.184 1.00 21.77 ? 139 U B "C4'" 1 +ATOM 196 O "O4'" . U A 1 10 ? 17.300 17.665 17.874 1.00 22.39 ? 139 U B "O4'" 1 +ATOM 197 C "C3'" . U A 1 10 ? 18.928 17.715 19.565 1.00 20.71 ? 139 U B "C3'" 1 +ATOM 198 O "O3'" . U A 1 10 ? 19.007 17.614 20.979 1.00 21.30 ? 139 U B "O3'" 1 +ATOM 199 C "C2'" . U A 1 10 ? 18.987 16.331 18.920 1.00 21.21 ? 139 U B "C2'" 1 +ATOM 200 O "O2'" . U A 1 10 ? 18.519 15.310 19.769 1.00 20.57 ? 139 U B "O2'" 1 +ATOM 201 C "C1'" . U A 1 10 ? 18.056 16.481 17.710 1.00 22.09 ? 139 U B "C1'" 1 +ATOM 202 N N1 . U A 1 10 ? 18.704 16.513 16.388 1.00 18.61 ? 139 U B N1 1 +ATOM 203 C C2 . U A 1 10 ? 18.790 15.321 15.680 1.00 20.16 ? 139 U B C2 1 +ATOM 204 O O2 . U A 1 10 ? 18.385 14.260 16.114 1.00 22.01 ? 139 U B O2 1 +ATOM 205 N N3 . U A 1 10 ? 19.372 15.419 14.444 1.00 19.64 ? 139 U B N3 1 +ATOM 206 C C4 . U A 1 10 ? 19.881 16.553 13.858 1.00 18.58 ? 139 U B C4 1 +ATOM 207 O O4 . U A 1 10 ? 20.446 16.465 12.768 1.00 20.61 ? 139 U B O4 1 +ATOM 208 C C5 . U A 1 10 ? 19.765 17.736 14.648 1.00 18.74 ? 139 U B C5 1 +ATOM 209 C C6 . U A 1 10 ? 19.194 17.675 15.860 1.00 19.15 ? 139 U B C6 1 +ATOM 210 P P . A A 1 11 ? 20.178 18.374 21.780 1.00 26.98 ? 140 A B P 1 +ATOM 211 O OP1 . A A 1 11 ? 19.807 18.392 23.221 1.00 22.63 ? 140 A B OP1 1 +ATOM 212 O OP2 . A A 1 11 ? 20.481 19.655 21.087 1.00 20.99 ? 140 A B OP2 1 +ATOM 213 O "O5'" . A A 1 11 ? 21.438 17.416 21.633 1.00 25.23 ? 140 A B "O5'" 1 +ATOM 214 C "C5'" . A A 1 11 ? 21.409 16.094 22.149 1.00 24.30 ? 140 A B "C5'" 1 +ATOM 215 C "C4'" . A A 1 11 ? 22.668 15.822 22.923 1.00 24.00 ? 140 A B "C4'" 1 +ATOM 216 O "O4'" . A A 1 11 ? 22.718 16.701 24.078 1.00 26.27 ? 140 A B "O4'" 1 +ATOM 217 C "C3'" . A A 1 11 ? 22.771 14.427 23.505 1.00 23.74 ? 140 A B "C3'" 1 +ATOM 218 O "O3'" . A A 1 11 ? 23.327 13.554 22.536 1.00 23.97 ? 140 A B "O3'" 1 +ATOM 219 C "C2'" . A A 1 11 ? 23.724 14.641 24.671 1.00 24.53 ? 140 A B "C2'" 1 +ATOM 220 O "O2'" . A A 1 11 ? 25.072 14.715 24.247 1.00 25.40 ? 140 A B "O2'" 1 +ATOM 221 C "C1'" . A A 1 11 ? 23.266 16.008 25.185 1.00 23.97 ? 140 A B "C1'" 1 +ATOM 222 N N9 . A A 1 11 ? 22.242 15.946 26.228 1.00 18.26 ? 140 A B N9 1 +ATOM 223 C C8 . A A 1 11 ? 21.083 16.674 26.295 1.00 17.64 ? 140 A B C8 1 +ATOM 224 N N7 . A A 1 11 ? 20.359 16.419 27.355 1.00 17.84 ? 140 A B N7 1 +ATOM 225 C C5 . A A 1 11 ? 21.090 15.453 28.035 1.00 19.51 ? 140 A B C5 1 +ATOM 226 C C6 . A A 1 11 ? 20.868 14.770 29.254 1.00 19.65 ? 140 A B C6 1 +ATOM 227 N N6 . A A 1 11 ? 19.806 14.968 30.033 1.00 17.97 ? 140 A B N6 1 +ATOM 228 N N1 . A A 1 11 ? 21.795 13.868 29.650 1.00 20.98 ? 140 A B N1 1 +ATOM 229 C C2 . A A 1 11 ? 22.872 13.682 28.879 1.00 20.45 ? 140 A B C2 1 +ATOM 230 N N3 . A A 1 11 ? 23.195 14.266 27.721 1.00 21.26 ? 140 A B N3 1 +ATOM 231 C C4 . A A 1 11 ? 22.250 15.150 27.349 1.00 18.98 ? 140 A B C4 1 +ATOM 232 P P . C A 1 12 ? 22.649 12.125 22.272 1.00 18.18 ? 141 C B P 1 +ATOM 233 O OP1 . C A 1 12 ? 23.439 11.473 21.210 1.00 27.20 ? 141 C B OP1 1 +ATOM 234 O OP2 . C A 1 12 ? 21.194 12.307 22.094 1.00 26.09 ? 141 C B OP2 1 +ATOM 235 O "O5'" . C A 1 12 ? 22.924 11.330 23.622 1.00 21.81 ? 141 C B "O5'" 1 +ATOM 236 C "C5'" . C A 1 12 ? 24.254 10.961 23.966 1.00 22.92 ? 141 C B "C5'" 1 +ATOM 237 C "C4'" . C A 1 12 ? 24.266 10.175 25.246 1.00 24.40 ? 141 C B "C4'" 1 +ATOM 238 O "O4'" . C A 1 12 ? 23.865 11.038 26.337 1.00 24.11 ? 141 C B "O4'" 1 +ATOM 239 C "C3'" . C A 1 12 ? 23.291 9.015 25.329 1.00 24.51 ? 141 C B "C3'" 1 +ATOM 240 O "O3'" . C A 1 12 ? 23.797 7.853 24.684 1.00 27.19 ? 141 C B "O3'" 1 +ATOM 241 C "C2'" . C A 1 12 ? 23.193 8.815 26.833 1.00 23.93 ? 141 C B "C2'" 1 +ATOM 242 O "O2'" . C A 1 12 ? 24.316 8.140 27.356 1.00 24.69 ? 141 C B "O2'" 1 +ATOM 243 C "C1'" . C A 1 12 ? 23.207 10.262 27.326 1.00 24.30 ? 141 C B "C1'" 1 +ATOM 244 N N1 . C A 1 12 ? 21.852 10.790 27.503 1.00 29.52 ? 141 C B N1 1 +ATOM 245 C C2 . C A 1 12 ? 21.139 10.429 28.643 1.00 29.95 ? 141 C B C2 1 +ATOM 246 O O2 . C A 1 12 ? 21.682 9.688 29.484 1.00 31.27 ? 141 C B O2 1 +ATOM 247 N N3 . C A 1 12 ? 19.881 10.892 28.808 1.00 30.21 ? 141 C B N3 1 +ATOM 248 C C4 . C A 1 12 ? 19.341 11.693 27.891 1.00 28.63 ? 141 C B C4 1 +ATOM 249 N N4 . C A 1 12 ? 18.096 12.132 28.100 1.00 27.59 ? 141 C B N4 1 +ATOM 250 C C5 . C A 1 12 ? 20.051 12.082 26.719 1.00 28.32 ? 141 C B C5 1 +ATOM 251 C C6 . C A 1 12 ? 21.292 11.613 26.568 1.00 28.64 ? 141 C B C6 1 +ATOM 252 P P . C A 1 13 ? 22.839 7.001 23.706 1.00 22.51 ? 142 C B P 1 +ATOM 253 O OP1 . C A 1 13 ? 23.535 5.740 23.355 1.00 30.03 ? 142 C B OP1 1 +ATOM 254 O OP2 . C A 1 13 ? 22.405 7.928 22.634 1.00 30.01 ? 142 C B OP2 1 +ATOM 255 O "O5'" . C A 1 13 ? 21.578 6.628 24.607 1.00 26.56 ? 142 C B "O5'" 1 +ATOM 256 C "C5'" . C A 1 13 ? 21.624 5.521 25.506 1.00 31.74 ? 142 C B "C5'" 1 +ATOM 257 C "C4'" . C A 1 13 ? 20.233 5.168 25.987 1.00 35.79 ? 142 C B "C4'" 1 +ATOM 258 O "O4'" . C A 1 13 ? 19.709 6.247 26.805 1.00 36.79 ? 142 C B "O4'" 1 +ATOM 259 C "C3'" . C A 1 13 ? 19.175 4.987 24.907 1.00 38.13 ? 142 C B "C3'" 1 +ATOM 260 O "O3'" . C A 1 13 ? 19.222 3.682 24.322 1.00 41.24 ? 142 C B "O3'" 1 +ATOM 261 C "C2'" . C A 1 13 ? 17.874 5.214 25.673 1.00 37.65 ? 142 C B "C2'" 1 +ATOM 262 O "O2'" . C A 1 13 ? 17.396 4.052 26.317 1.00 38.01 ? 142 C B "O2'" 1 +ATOM 263 C "C1'" . C A 1 13 ? 18.293 6.269 26.705 1.00 37.66 ? 142 C B "C1'" 1 +ATOM 264 N N1 . C A 1 13 ? 17.866 7.623 26.329 1.00 45.47 ? 142 C B N1 1 +ATOM 265 C C2 . C A 1 13 ? 16.730 8.162 26.945 1.00 46.49 ? 142 C B C2 1 +ATOM 266 O O2 . C A 1 13 ? 16.145 7.493 27.817 1.00 47.55 ? 142 C B O2 1 +ATOM 267 N N3 . C A 1 13 ? 16.298 9.390 26.580 1.00 45.43 ? 142 C B N3 1 +ATOM 268 C C4 . C A 1 13 ? 16.959 10.074 25.647 1.00 45.07 ? 142 C B C4 1 +ATOM 269 N N4 . C A 1 13 ? 16.491 11.279 25.310 1.00 46.04 ? 142 C B N4 1 +ATOM 270 C C5 . C A 1 13 ? 18.128 9.555 25.017 1.00 45.22 ? 142 C B C5 1 +ATOM 271 C C6 . C A 1 13 ? 18.543 8.340 25.386 1.00 44.61 ? 142 C B C6 1 +ATOM 272 P P . A A 1 14 ? 18.578 3.442 22.866 1.00 49.93 ? 143 A B P 1 +ATOM 273 O OP1 . A A 1 14 ? 18.107 4.753 22.355 1.00 81.41 ? 143 A B OP1 1 +ATOM 274 O OP2 . A A 1 14 ? 17.614 2.320 23.001 1.00 81.63 ? 143 A B OP2 1 +ATOM 275 O "O5'" . A A 1 14 ? 19.790 2.950 21.953 1.00 50.98 ? 143 A B "O5'" 1 +ATOM 276 C "C5'" . A A 1 14 ? 21.145 3.172 22.335 1.00 56.09 ? 143 A B "C5'" 1 +ATOM 277 C "C4'" . A A 1 14 ? 21.906 1.868 22.318 1.00 59.02 ? 143 A B "C4'" 1 +ATOM 278 O "O4'" . A A 1 14 ? 21.264 0.964 23.244 1.00 61.49 ? 143 A B "O4'" 1 +ATOM 279 C "C3'" . A A 1 14 ? 21.904 1.114 20.993 1.00 60.03 ? 143 A B "C3'" 1 +ATOM 280 O "O3'" . A A 1 14 ? 23.043 1.480 20.224 1.00 58.09 ? 143 A B "O3'" 1 +ATOM 281 C "C2'" . A A 1 14 ? 22.110 -0.332 21.422 1.00 62.22 ? 143 A B "C2'" 1 +ATOM 282 O "O2'" . A A 1 14 ? 23.484 -0.638 21.536 1.00 64.12 ? 143 A B "O2'" 1 +ATOM 283 C "C1'" . A A 1 14 ? 21.448 -0.365 22.803 1.00 64.25 ? 143 A B "C1'" 1 +ATOM 284 N N9 . A A 1 14 ? 20.166 -1.062 22.856 1.00 99.64 ? 143 A B N9 1 +ATOM 285 C C8 . A A 1 14 ? 18.916 -0.586 22.547 1.00 101.16 ? 143 A B C8 1 +ATOM 286 N N7 . A A 1 14 ? 17.960 -1.468 22.714 1.00 102.88 ? 143 A B N7 1 +ATOM 287 C C5 . A A 1 14 ? 18.626 -2.602 23.161 1.00 103.53 ? 143 A B C5 1 +ATOM 288 C C6 . A A 1 14 ? 18.177 -3.888 23.524 1.00 104.32 ? 143 A B C6 1 +ATOM 289 N N6 . A A 1 14 ? 16.894 -4.263 23.496 1.00 104.83 ? 143 A B N6 1 +ATOM 290 N N1 . A A 1 14 ? 19.104 -4.787 23.924 1.00 104.16 ? 143 A B N1 1 +ATOM 291 C C2 . A A 1 14 ? 20.390 -4.411 23.955 1.00 104.14 ? 143 A B C2 1 +ATOM 292 N N3 . A A 1 14 ? 20.933 -3.237 23.641 1.00 103.62 ? 143 A B N3 1 +ATOM 293 C C4 . A A 1 14 ? 19.986 -2.366 23.248 1.00 102.45 ? 143 A B C4 1 +ATOM 294 P P . G A 1 15 ? 22.870 2.411 18.932 1.00 54.04 ? 144 G B P 1 +ATOM 295 O OP1 . G A 1 15 ? 23.279 3.793 19.321 1.00 53.82 ? 144 G B OP1 1 +ATOM 296 O OP2 . G A 1 15 ? 21.501 2.167 18.394 1.00 51.56 ? 144 G B OP2 1 +ATOM 297 O "O5'" . G A 1 15 ? 23.936 1.847 17.887 1.00 48.05 ? 144 G B "O5'" 1 +ATOM 298 C "C5'" . G A 1 15 ? 23.584 0.805 16.985 1.00 39.22 ? 144 G B "C5'" 1 +ATOM 299 C "C4'" . G A 1 15 ? 23.866 1.216 15.555 1.00 33.30 ? 144 G B "C4'" 1 +ATOM 300 O "O4'" . G A 1 15 ? 23.089 2.396 15.208 1.00 31.73 ? 144 G B "O4'" 1 +ATOM 301 C "C3'" . G A 1 15 ? 25.287 1.629 15.228 1.00 30.61 ? 144 G B "C3'" 1 +ATOM 302 O "O3'" . G A 1 15 ? 26.119 0.486 15.059 1.00 26.68 ? 144 G B "O3'" 1 +ATOM 303 C "C2'" . G A 1 15 ? 25.080 2.407 13.929 1.00 30.68 ? 144 G B "C2'" 1 +ATOM 304 O "O2'" . G A 1 15 ? 24.854 1.573 12.813 1.00 31.93 ? 144 G B "O2'" 1 +ATOM 305 C "C1'" . G A 1 15 ? 23.774 3.148 14.218 1.00 29.23 ? 144 G B "C1'" 1 +ATOM 306 N N9 . G A 1 15 ? 23.967 4.510 14.712 1.00 27.86 ? 144 G B N9 1 +ATOM 307 C C8 . G A 1 15 ? 23.570 5.012 15.929 1.00 27.54 ? 144 G B C8 1 +ATOM 308 N N7 . G A 1 15 ? 23.898 6.263 16.100 1.00 26.45 ? 144 G B N7 1 +ATOM 309 C C5 . G A 1 15 ? 24.554 6.612 14.928 1.00 26.51 ? 144 G B C5 1 +ATOM 310 C C6 . G A 1 15 ? 25.148 7.854 14.530 1.00 26.83 ? 144 G B C6 1 +ATOM 311 O O6 . G A 1 15 ? 25.217 8.921 15.159 1.00 26.84 ? 144 G B O6 1 +ATOM 312 N N1 . G A 1 15 ? 25.695 7.772 13.257 1.00 26.58 ? 144 G B N1 1 +ATOM 313 C C2 . G A 1 15 ? 25.679 6.652 12.463 1.00 26.85 ? 144 G B C2 1 +ATOM 314 N N2 . G A 1 15 ? 26.265 6.782 11.260 1.00 26.56 ? 144 G B N2 1 +ATOM 315 N N3 . G A 1 15 ? 25.133 5.491 12.820 1.00 25.55 ? 144 G B N3 1 +ATOM 316 C C4 . G A 1 15 ? 24.595 5.545 14.055 1.00 26.01 ? 144 G B C4 1 +ATOM 317 P P . G A 1 16 ? 27.709 0.628 15.230 1.00 27.58 ? 145 G B P 1 +ATOM 318 O OP1 . G A 1 16 ? 28.344 -0.706 15.086 1.00 28.60 ? 145 G B OP1 1 +ATOM 319 O OP2 . G A 1 16 ? 27.987 1.430 16.445 1.00 28.04 ? 145 G B OP2 1 +ATOM 320 O "O5'" . G A 1 16 ? 28.135 1.520 13.983 1.00 27.65 ? 145 G B "O5'" 1 +ATOM 321 C "C5'" . G A 1 16 ? 28.242 0.960 12.681 1.00 25.83 ? 145 G B "C5'" 1 +ATOM 322 C "C4'" . G A 1 16 ? 29.011 1.895 11.779 1.00 24.70 ? 145 G B "C4'" 1 +ATOM 323 O "O4'" . G A 1 16 ? 28.279 3.142 11.641 1.00 24.08 ? 145 G B "O4'" 1 +ATOM 324 C "C3'" . G A 1 16 ? 30.353 2.339 12.325 1.00 25.63 ? 145 G B "C3'" 1 +ATOM 325 O "O3'" . G A 1 16 ? 31.364 1.376 12.073 1.00 27.66 ? 145 G B "O3'" 1 +ATOM 326 C "C2'" . G A 1 16 ? 30.598 3.629 11.557 1.00 24.08 ? 145 G B "C2'" 1 +ATOM 327 O "O2'" . G A 1 16 ? 31.063 3.400 10.243 1.00 23.90 ? 145 G B "O2'" 1 +ATOM 328 C "C1'" . G A 1 16 ? 29.191 4.218 11.512 1.00 21.78 ? 145 G B "C1'" 1 +ATOM 329 N N9 . G A 1 16 ? 28.941 5.157 12.597 1.00 20.28 ? 145 G B N9 1 +ATOM 330 C C8 . G A 1 16 ? 28.288 4.908 13.781 1.00 17.32 ? 145 G B C8 1 +ATOM 331 N N7 . G A 1 16 ? 28.188 5.966 14.540 1.00 17.20 ? 145 G B N7 1 +ATOM 332 C C5 . G A 1 16 ? 28.814 6.972 13.816 1.00 16.75 ? 145 G B C5 1 +ATOM 333 C C6 . G A 1 16 ? 29.006 8.354 14.118 1.00 15.44 ? 145 G B C6 1 +ATOM 334 O O6 . G A 1 16 ? 28.639 8.989 15.106 1.00 11.57 ? 145 G B O6 1 +ATOM 335 N N1 . G A 1 16 ? 29.706 9.002 13.111 1.00 17.10 ? 145 G B N1 1 +ATOM 336 C C2 . G A 1 16 ? 30.160 8.414 11.957 1.00 18.03 ? 145 G B C2 1 +ATOM 337 N N2 . G A 1 16 ? 30.824 9.218 11.111 1.00 15.77 ? 145 G B N2 1 +ATOM 338 N N3 . G A 1 16 ? 29.979 7.134 11.655 1.00 17.37 ? 145 G B N3 1 +ATOM 339 C C4 . G A 1 16 ? 29.303 6.481 12.623 1.00 18.64 ? 145 G B C4 1 +ATOM 340 P P . U A 1 17 ? 32.630 1.293 13.056 1.00 26.55 ? 146 U B P 1 +ATOM 341 O OP1 . U A 1 17 ? 33.499 0.181 12.617 1.00 26.88 ? 146 U B OP1 1 +ATOM 342 O OP2 . U A 1 17 ? 32.093 1.304 14.445 1.00 25.93 ? 146 U B OP2 1 +ATOM 343 O "O5'" . U A 1 17 ? 33.396 2.673 12.811 1.00 28.13 ? 146 U B "O5'" 1 +ATOM 344 C "C5'" . U A 1 17 ? 33.932 3.003 11.534 1.00 28.35 ? 146 U B "C5'" 1 +ATOM 345 C "C4'" . U A 1 17 ? 34.433 4.426 11.532 1.00 29.15 ? 146 U B "C4'" 1 +ATOM 346 O "O4'" . U A 1 17 ? 33.309 5.332 11.677 1.00 29.40 ? 146 U B "O4'" 1 +ATOM 347 C "C3'" . U A 1 17 ? 35.335 4.788 12.697 1.00 30.65 ? 146 U B "C3'" 1 +ATOM 348 O "O3'" . U A 1 17 ? 36.679 4.392 12.460 1.00 35.52 ? 146 U B "O3'" 1 +ATOM 349 C "C2'" . U A 1 17 ? 35.192 6.302 12.754 1.00 28.63 ? 146 U B "C2'" 1 +ATOM 350 O "O2'" . U A 1 17 ? 35.981 6.945 11.783 1.00 29.87 ? 146 U B "O2'" 1 +ATOM 351 C "C1'" . U A 1 17 ? 33.717 6.483 12.400 1.00 27.55 ? 146 U B "C1'" 1 +ATOM 352 N N1 . U A 1 17 ? 32.860 6.618 13.585 1.00 26.42 ? 146 U B N1 1 +ATOM 353 C C2 . U A 1 17 ? 32.678 7.889 14.099 1.00 24.46 ? 146 U B C2 1 +ATOM 354 O O2 . U A 1 17 ? 33.177 8.881 13.602 1.00 25.01 ? 146 U B O2 1 +ATOM 355 N N3 . U A 1 17 ? 31.887 7.956 15.213 1.00 23.20 ? 146 U B N3 1 +ATOM 356 C C4 . U A 1 17 ? 31.263 6.907 15.852 1.00 23.92 ? 146 U B C4 1 +ATOM 357 O O4 . U A 1 17 ? 30.560 7.136 16.836 1.00 21.66 ? 146 U B O4 1 +ATOM 358 C C5 . U A 1 17 ? 31.490 5.621 15.256 1.00 23.44 ? 146 U B C5 1 +ATOM 359 C C6 . U A 1 17 ? 32.262 5.525 14.169 1.00 25.05 ? 146 U B C6 1 +ATOM 360 P P . C A 1 18 ? 37.484 3.620 13.612 1.00 50.20 ? 147 C B P 1 +ATOM 361 O OP1 . C A 1 18 ? 38.892 4.056 13.553 1.00 45.50 ? 147 C B OP1 1 +ATOM 362 O OP2 . C A 1 18 ? 37.159 2.177 13.508 1.00 44.97 ? 147 C B OP2 1 +ATOM 363 O "O5'" . C A 1 18 ? 36.815 4.173 14.948 1.00 53.51 ? 147 C B "O5'" 1 +ATOM 364 C "C5'" . C A 1 18 ? 37.515 5.060 15.822 1.00 57.25 ? 147 C B "C5'" 1 +ATOM 365 C "C4'" . C A 1 18 ? 36.901 6.450 15.778 1.00 59.59 ? 147 C B "C4'" 1 +ATOM 366 O "O4'" . C A 1 18 ? 35.449 6.373 15.785 1.00 61.20 ? 147 C B "O4'" 1 +ATOM 367 C "C3'" . C A 1 18 ? 37.236 7.340 16.967 1.00 59.16 ? 147 C B "C3'" 1 +ATOM 368 O "O3'" . C A 1 18 ? 38.486 7.985 16.792 1.00 56.91 ? 147 C B "O3'" 1 +ATOM 369 C "C2'" . C A 1 18 ? 36.083 8.336 16.976 1.00 59.91 ? 147 C B "C2'" 1 +ATOM 370 O "O2'" . C A 1 18 ? 36.260 9.396 16.052 1.00 58.09 ? 147 C B "O2'" 1 +ATOM 371 C "C1'" . C A 1 18 ? 34.914 7.445 16.550 1.00 61.55 ? 147 C B "C1'" 1 +ATOM 372 N N1 . C A 1 18 ? 34.132 6.863 17.659 1.00 59.13 ? 147 C B N1 1 +ATOM 373 C C2 . C A 1 18 ? 33.428 7.715 18.533 1.00 59.44 ? 147 C B C2 1 +ATOM 374 O O2 . C A 1 18 ? 33.509 8.947 18.375 1.00 59.06 ? 147 C B O2 1 +ATOM 375 N N3 . C A 1 18 ? 32.677 7.166 19.526 1.00 60.13 ? 147 C B N3 1 +ATOM 376 C C4 . C A 1 18 ? 32.614 5.833 19.662 1.00 59.99 ? 147 C B C4 1 +ATOM 377 N N4 . C A 1 18 ? 31.849 5.333 20.637 1.00 58.81 ? 147 C B N4 1 +ATOM 378 C C5 . C A 1 18 ? 33.333 4.952 18.799 1.00 60.53 ? 147 C B C5 1 +ATOM 379 C C6 . C A 1 18 ? 34.074 5.503 17.825 1.00 60.09 ? 147 C B C6 1 +ATOM 380 P P . A A 1 19 ? 39.506 8.077 18.025 1.00 45.37 ? 148 A B P 1 +ATOM 381 O OP1 . A A 1 19 ? 40.656 7.172 17.734 1.00 43.89 ? 148 A B OP1 1 +ATOM 382 O OP2 . A A 1 19 ? 38.713 7.867 19.265 1.00 41.62 ? 148 A B OP2 1 +ATOM 383 O "O5'" . A A 1 19 ? 40.022 9.588 17.941 1.00 43.02 ? 148 A B "O5'" 1 +ATOM 384 C "C5'" . A A 1 19 ? 40.773 10.043 16.811 1.00 34.29 ? 148 A B "C5'" 1 +ATOM 385 C "C4'" . A A 1 19 ? 40.913 11.550 16.832 1.00 30.17 ? 148 A B "C4'" 1 +ATOM 386 O "O4'" . A A 1 19 ? 39.591 12.148 16.807 1.00 29.85 ? 148 A B "O4'" 1 +ATOM 387 C "C3'" . A A 1 19 ? 41.547 12.166 18.067 1.00 28.37 ? 148 A B "C3'" 1 +ATOM 388 O "O3'" . A A 1 19 ? 42.960 12.103 18.020 1.00 25.76 ? 148 A B "O3'" 1 +ATOM 389 C "C2'" . A A 1 19 ? 41.032 13.601 18.000 1.00 27.73 ? 148 A B "C2'" 1 +ATOM 390 O "O2'" . A A 1 19 ? 41.681 14.424 17.055 1.00 27.25 ? 148 A B "O2'" 1 +ATOM 391 C "C1'" . A A 1 19 ? 39.602 13.372 17.525 1.00 27.20 ? 148 A B "C1'" 1 +ATOM 392 N N9 . A A 1 19 ? 38.667 13.265 18.642 1.00 23.75 ? 148 A B N9 1 +ATOM 393 C C8 . A A 1 19 ? 38.015 12.151 19.107 1.00 24.51 ? 148 A B C8 1 +ATOM 394 N N7 . A A 1 19 ? 37.225 12.391 20.130 1.00 24.71 ? 148 A B N7 1 +ATOM 395 C C5 . A A 1 19 ? 37.371 13.753 20.349 1.00 22.51 ? 148 A B C5 1 +ATOM 396 C C6 . A A 1 19 ? 36.789 14.627 21.279 1.00 22.72 ? 148 A B C6 1 +ATOM 397 N N6 . A A 1 19 ? 35.894 14.244 22.193 1.00 21.39 ? 148 A B N6 1 +ATOM 398 N N1 . A A 1 19 ? 37.156 15.927 21.233 1.00 21.51 ? 148 A B N1 1 +ATOM 399 C C2 . A A 1 19 ? 38.039 16.309 20.305 1.00 20.97 ? 148 A B C2 1 +ATOM 400 N N3 . A A 1 19 ? 38.645 15.585 19.370 1.00 20.03 ? 148 A B N3 1 +ATOM 401 C C4 . A A 1 19 ? 38.263 14.301 19.447 1.00 22.37 ? 148 A B C4 1 +ATOM 402 P P . G A 1 20 ? 43.758 11.429 19.235 1.00 27.16 ? 149 G B P 1 +ATOM 403 O OP1 . G A 1 20 ? 45.208 11.678 19.046 1.00 22.94 ? 149 G B OP1 1 +ATOM 404 O OP2 . G A 1 20 ? 43.254 10.036 19.394 1.00 22.51 ? 149 G B OP2 1 +ATOM 405 O "O5'" . G A 1 20 ? 43.287 12.249 20.505 1.00 27.37 ? 149 G B "O5'" 1 +ATOM 406 C "C5'" . G A 1 20 ? 43.624 13.612 20.643 1.00 25.64 ? 149 G B "C5'" 1 +ATOM 407 C "C4'" . G A 1 20 ? 42.861 14.208 21.790 1.00 25.17 ? 149 G B "C4'" 1 +ATOM 408 O "O4'" . G A 1 20 ? 41.441 14.119 21.518 1.00 24.36 ? 149 G B "O4'" 1 +ATOM 409 C "C3'" . G A 1 20 ? 42.993 13.496 23.120 1.00 23.14 ? 149 G B "C3'" 1 +ATOM 410 O "O3'" . G A 1 20 ? 44.192 13.879 23.767 1.00 23.46 ? 149 G B "O3'" 1 +ATOM 411 C "C2'" . G A 1 20 ? 41.777 14.031 23.861 1.00 24.19 ? 149 G B "C2'" 1 +ATOM 412 O "O2'" . G A 1 20 ? 41.952 15.349 24.328 1.00 23.47 ? 149 G B "O2'" 1 +ATOM 413 C "C1'" . G A 1 20 ? 40.737 14.051 22.745 1.00 24.22 ? 149 G B "C1'" 1 +ATOM 414 N N9 . G A 1 20 ? 39.943 12.835 22.759 1.00 19.08 ? 149 G B N9 1 +ATOM 415 C C8 . G A 1 20 ? 40.092 11.726 21.961 1.00 18.75 ? 149 G B C8 1 +ATOM 416 N N7 . G A 1 20 ? 39.242 10.777 22.245 1.00 19.67 ? 149 G B N7 1 +ATOM 417 C C5 . G A 1 20 ? 38.487 11.295 23.290 1.00 18.00 ? 149 G B C5 1 +ATOM 418 C C6 . G A 1 20 ? 37.422 10.721 24.027 1.00 17.66 ? 149 G B C6 1 +ATOM 419 O O6 . G A 1 20 ? 36.918 9.589 23.907 1.00 19.60 ? 149 G B O6 1 +ATOM 420 N N1 . G A 1 20 ? 36.939 11.601 24.993 1.00 14.16 ? 149 G B N1 1 +ATOM 421 C C2 . G A 1 20 ? 37.426 12.866 25.227 1.00 14.26 ? 149 G B C2 1 +ATOM 422 N N2 . G A 1 20 ? 36.830 13.564 26.203 1.00 11.51 ? 149 G B N2 1 +ATOM 423 N N3 . G A 1 20 ? 38.423 13.406 24.554 1.00 15.50 ? 149 G B N3 1 +ATOM 424 C C4 . G A 1 20 ? 38.902 12.570 23.607 1.00 17.79 ? 149 G B C4 1 +ATOM 425 P P . G A 1 21 ? 45.075 12.774 24.533 1.00 24.47 ? 150 G B P 1 +ATOM 426 O OP1 . G A 1 21 ? 46.189 13.523 25.164 1.00 22.58 ? 150 G B OP1 1 +ATOM 427 O OP2 . G A 1 21 ? 45.377 11.641 23.612 1.00 22.00 ? 150 G B OP2 1 +ATOM 428 O "O5'" . G A 1 21 ? 44.117 12.230 25.691 1.00 23.31 ? 150 G B "O5'" 1 +ATOM 429 C "C5'" . G A 1 21 ? 43.875 13.015 26.852 1.00 23.51 ? 150 G B "C5'" 1 +ATOM 430 C "C4'" . G A 1 21 ? 42.696 12.484 27.637 1.00 24.02 ? 150 G B "C4'" 1 +ATOM 431 O "O4'" . G A 1 21 ? 41.501 12.466 26.800 1.00 25.03 ? 150 G B "O4'" 1 +ATOM 432 C "C3'" . G A 1 21 ? 42.760 11.060 28.162 1.00 23.38 ? 150 G B "C3'" 1 +ATOM 433 O "O3'" . G A 1 21 ? 43.577 10.953 29.328 1.00 24.75 ? 150 G B "O3'" 1 +ATOM 434 C "C2'" . G A 1 21 ? 41.287 10.831 28.479 1.00 24.70 ? 150 G B "C2'" 1 +ATOM 435 O "O2'" . G A 1 21 ? 40.866 11.588 29.594 1.00 27.08 ? 150 G B "O2'" 1 +ATOM 436 C "C1'" . G A 1 21 ? 40.632 11.423 27.234 1.00 24.67 ? 150 G B "C1'" 1 +ATOM 437 N N9 . G A 1 21 ? 40.554 10.409 26.188 1.00 23.84 ? 150 G B N9 1 +ATOM 438 C C8 . G A 1 21 ? 41.384 10.273 25.106 1.00 24.15 ? 150 G B C8 1 +ATOM 439 N N7 . G A 1 21 ? 41.118 9.216 24.390 1.00 24.02 ? 150 G B N7 1 +ATOM 440 C C5 . G A 1 21 ? 40.035 8.630 25.028 1.00 22.67 ? 150 G B C5 1 +ATOM 441 C C6 . G A 1 21 ? 39.314 7.442 24.721 1.00 23.22 ? 150 G B C6 1 +ATOM 442 O O6 . G A 1 21 ? 39.499 6.636 23.796 1.00 23.31 ? 150 G B O6 1 +ATOM 443 N N1 . G A 1 21 ? 38.286 7.223 25.627 1.00 20.44 ? 150 G B N1 1 +ATOM 444 C C2 . G A 1 21 ? 37.988 8.027 26.683 1.00 19.67 ? 150 G B C2 1 +ATOM 445 N N2 . G A 1 21 ? 36.951 7.643 27.429 1.00 18.20 ? 150 G B N2 1 +ATOM 446 N N3 . G A 1 21 ? 38.653 9.129 26.987 1.00 22.26 ? 150 G B N3 1 +ATOM 447 C C4 . G A 1 21 ? 39.659 9.366 26.124 1.00 22.56 ? 150 G B C4 1 +ATOM 448 P P . U A 1 22 ? 44.332 9.557 29.668 1.00 17.37 ? 151 U B P 1 +ATOM 449 O OP1 . U A 1 22 ? 45.098 9.766 30.909 1.00 18.22 ? 151 U B OP1 1 +ATOM 450 O OP2 . U A 1 22 ? 45.023 9.041 28.467 1.00 16.98 ? 151 U B OP2 1 +ATOM 451 O "O5'" . U A 1 22 ? 43.144 8.554 29.991 1.00 18.58 ? 151 U B "O5'" 1 +ATOM 452 C "C5'" . U A 1 22 ? 42.176 8.887 30.969 1.00 19.70 ? 151 U B "C5'" 1 +ATOM 453 C "C4'" . U A 1 22 ? 41.097 7.839 31.009 1.00 21.66 ? 151 U B "C4'" 1 +ATOM 454 O "O4'" . U A 1 22 ? 40.476 7.733 29.700 1.00 22.80 ? 151 U B "O4'" 1 +ATOM 455 C "C3'" . U A 1 22 ? 41.556 6.418 31.256 1.00 21.26 ? 151 U B "C3'" 1 +ATOM 456 O "O3'" . U A 1 22 ? 41.814 6.188 32.625 1.00 21.22 ? 151 U B "O3'" 1 +ATOM 457 C "C2'" . U A 1 22 ? 40.344 5.633 30.787 1.00 22.06 ? 151 U B "C2'" 1 +ATOM 458 O "O2'" . U A 1 22 ? 39.302 5.697 31.738 1.00 22.79 ? 151 U B "O2'" 1 +ATOM 459 C "C1'" . U A 1 22 ? 39.949 6.427 29.540 1.00 21.11 ? 151 U B "C1'" 1 +ATOM 460 N N1 . U A 1 22 ? 40.483 5.856 28.299 1.00 19.27 ? 151 U B N1 1 +ATOM 461 C C2 . U A 1 22 ? 39.921 4.669 27.858 1.00 19.66 ? 151 U B C2 1 +ATOM 462 O O2 . U A 1 22 ? 39.042 4.098 28.474 1.00 20.39 ? 151 U B O2 1 +ATOM 463 N N3 . U A 1 22 ? 40.431 4.177 26.679 1.00 17.81 ? 151 U B N3 1 +ATOM 464 C C4 . U A 1 22 ? 41.435 4.738 25.917 1.00 17.77 ? 151 U B C4 1 +ATOM 465 O O4 . U A 1 22 ? 41.737 4.218 24.840 1.00 18.23 ? 151 U B O4 1 +ATOM 466 C C5 . U A 1 22 ? 41.982 5.960 26.450 1.00 18.40 ? 151 U B C5 1 +ATOM 467 C C6 . U A 1 22 ? 41.493 6.466 27.596 1.00 17.65 ? 151 U B C6 1 +ATOM 468 P P . C A 1 23 ? 42.852 5.040 33.048 1.00 25.67 ? 152 C B P 1 +ATOM 469 O OP1 . C A 1 23 ? 43.038 5.139 34.517 1.00 27.51 ? 152 C B OP1 1 +ATOM 470 O OP2 . C A 1 23 ? 44.036 5.115 32.148 1.00 24.31 ? 152 C B OP2 1 +ATOM 471 O "O5'" . C A 1 23 ? 42.054 3.699 32.743 1.00 23.89 ? 152 C B "O5'" 1 +ATOM 472 C "C5'" . C A 1 23 ? 40.842 3.417 33.433 1.00 22.41 ? 152 C B "C5'" 1 +ATOM 473 C "C4'" . C A 1 23 ? 40.265 2.111 32.955 1.00 22.78 ? 152 C B "C4'" 1 +ATOM 474 O "O4'" . C A 1 23 ? 39.845 2.245 31.575 1.00 23.25 ? 152 C B "O4'" 1 +ATOM 475 C "C3'" . C A 1 23 ? 41.237 0.949 32.920 1.00 22.22 ? 152 C B "C3'" 1 +ATOM 476 O "O3'" . C A 1 23 ? 41.322 0.325 34.179 1.00 23.57 ? 152 C B "O3'" 1 +ATOM 477 C "C2'" . C A 1 23 ? 40.564 0.021 31.936 1.00 22.95 ? 152 C B "C2'" 1 +ATOM 478 O "O2'" . C A 1 23 ? 39.494 -0.632 32.569 1.00 21.37 ? 152 C B "O2'" 1 +ATOM 479 C "C1'" . C A 1 23 ? 40.046 1.020 30.899 1.00 23.02 ? 152 C B "C1'" 1 +ATOM 480 N N1 . C A 1 23 ? 41.002 1.261 29.810 1.00 25.04 ? 152 C B N1 1 +ATOM 481 C C2 . C A 1 23 ? 41.117 0.310 28.804 1.00 25.60 ? 152 C B C2 1 +ATOM 482 O O2 . C A 1 23 ? 40.442 -0.723 28.884 1.00 27.41 ? 152 C B O2 1 +ATOM 483 N N3 . C A 1 23 ? 41.958 0.530 27.774 1.00 26.01 ? 152 C B N3 1 +ATOM 484 C C4 . C A 1 23 ? 42.674 1.651 27.728 1.00 26.90 ? 152 C B C4 1 +ATOM 485 N N4 . C A 1 23 ? 43.467 1.838 26.668 1.00 25.59 ? 152 C B N4 1 +ATOM 486 C C5 . C A 1 23 ? 42.601 2.633 28.760 1.00 26.63 ? 152 C B C5 1 +ATOM 487 C C6 . C A 1 23 ? 41.758 2.399 29.774 1.00 26.29 ? 152 C B C6 1 +ATOM 488 P P . C A 1 24 ? 42.683 -0.400 34.609 1.00 31.63 ? 153 C B P 1 +ATOM 489 O OP1 . C A 1 24 ? 42.515 -0.839 36.013 1.00 17.91 ? 153 C B OP1 1 +ATOM 490 O OP2 . C A 1 24 ? 43.786 0.509 34.244 1.00 18.59 ? 153 C B OP2 1 +ATOM 491 O "O5'" . C A 1 24 ? 42.764 -1.685 33.666 1.00 32.02 ? 153 C B "O5'" 1 +ATOM 492 C "C5'" . C A 1 24 ? 41.852 -2.769 33.834 1.00 32.30 ? 153 C B "C5'" 1 +ATOM 493 C "C4'" . C A 1 24 ? 42.186 -3.897 32.884 1.00 31.24 ? 153 C B "C4'" 1 +ATOM 494 O "O4'" . C A 1 24 ? 41.885 -3.515 31.514 1.00 30.77 ? 153 C B "O4'" 1 +ATOM 495 C "C3'" . C A 1 24 ? 43.644 -4.312 32.812 1.00 29.85 ? 153 C B "C3'" 1 +ATOM 496 O "O3'" . C A 1 24 ? 43.996 -5.113 33.934 1.00 28.35 ? 153 C B "O3'" 1 +ATOM 497 C "C2'" . C A 1 24 ? 43.680 -5.071 31.485 1.00 28.89 ? 153 C B "C2'" 1 +ATOM 498 O "O2'" . C A 1 24 ? 43.129 -6.367 31.561 1.00 25.20 ? 153 C B "O2'" 1 +ATOM 499 C "C1'" . C A 1 24 ? 42.748 -4.216 30.626 1.00 28.08 ? 153 C B "C1'" 1 +ATOM 500 N N1 . C A 1 24 ? 43.482 -3.235 29.825 1.00 16.84 ? 153 C B N1 1 +ATOM 501 C C2 . C A 1 24 ? 44.028 -3.636 28.602 1.00 17.93 ? 153 C B C2 1 +ATOM 502 O O2 . C A 1 24 ? 43.835 -4.803 28.208 1.00 18.67 ? 153 C B O2 1 +ATOM 503 N N3 . C A 1 24 ? 44.743 -2.744 27.874 1.00 18.28 ? 153 C B N3 1 +ATOM 504 C C4 . C A 1 24 ? 44.897 -1.487 28.319 1.00 18.74 ? 153 C B C4 1 +ATOM 505 N N4 . C A 1 24 ? 45.607 -0.634 27.566 1.00 19.48 ? 153 C B N4 1 +ATOM 506 C C5 . C A 1 24 ? 44.332 -1.048 29.551 1.00 17.77 ? 153 C B C5 1 +ATOM 507 C C6 . C A 1 24 ? 43.643 -1.949 30.268 1.00 18.05 ? 153 C B C6 1 +ATOM 508 P P . G A 1 25 ? 45.510 -5.105 34.476 1.00 17.42 ? 154 G B P 1 +ATOM 509 O OP1 . G A 1 25 ? 45.595 -6.123 35.553 1.00 19.53 ? 154 G B OP1 1 +ATOM 510 O OP2 . G A 1 25 ? 45.965 -3.713 34.750 1.00 19.47 ? 154 G B OP2 1 +ATOM 511 O "O5'" . G A 1 25 ? 46.335 -5.631 33.224 1.00 17.85 ? 154 G B "O5'" 1 +ATOM 512 C "C5'" . G A 1 25 ? 46.289 -7.004 32.861 1.00 16.79 ? 154 G B "C5'" 1 +ATOM 513 C "C4'" . G A 1 25 ? 47.102 -7.237 31.618 1.00 16.22 ? 154 G B "C4'" 1 +ATOM 514 O "O4'" . G A 1 25 ? 46.570 -6.406 30.559 1.00 17.31 ? 154 G B "O4'" 1 +ATOM 515 C "C3'" . G A 1 25 ? 48.546 -6.794 31.678 1.00 17.57 ? 154 G B "C3'" 1 +ATOM 516 O "O3'" . G A 1 25 ? 49.356 -7.741 32.355 1.00 19.42 ? 154 G B "O3'" 1 +ATOM 517 C "C2'" . G A 1 25 ? 48.891 -6.691 30.200 1.00 16.76 ? 154 G B "C2'" 1 +ATOM 518 O "O2'" . G A 1 25 ? 49.155 -7.936 29.593 1.00 19.87 ? 154 G B "O2'" 1 +ATOM 519 C "C1'" . G A 1 25 ? 47.599 -6.108 29.632 1.00 15.73 ? 154 G B "C1'" 1 +ATOM 520 N N9 . G A 1 25 ? 47.714 -4.664 29.511 1.00 16.71 ? 154 G B N9 1 +ATOM 521 C C8 . G A 1 25 ? 47.242 -3.709 30.374 1.00 15.87 ? 154 G B C8 1 +ATOM 522 N N7 . G A 1 25 ? 47.611 -2.503 30.046 1.00 17.08 ? 154 G B N7 1 +ATOM 523 C C5 . G A 1 25 ? 48.357 -2.678 28.886 1.00 17.12 ? 154 G B C5 1 +ATOM 524 C C6 . G A 1 25 ? 49.065 -1.740 28.095 1.00 16.78 ? 154 G B C6 1 +ATOM 525 O O6 . G A 1 25 ? 49.216 -0.532 28.294 1.00 20.38 ? 154 G B O6 1 +ATOM 526 N N1 . G A 1 25 ? 49.661 -2.340 26.994 1.00 15.65 ? 154 G B N1 1 +ATOM 527 C C2 . G A 1 25 ? 49.615 -3.685 26.710 1.00 18.78 ? 154 G B C2 1 +ATOM 528 N N2 . G A 1 25 ? 50.256 -4.090 25.609 1.00 20.37 ? 154 G B N2 1 +ATOM 529 N N3 . G A 1 25 ? 48.987 -4.572 27.458 1.00 18.07 ? 154 G B N3 1 +ATOM 530 C C4 . G A 1 25 ? 48.387 -4.001 28.523 1.00 16.83 ? 154 G B C4 1 +ATOM 531 P P . A A 1 26 ? 50.392 -7.239 33.473 1.00 25.71 ? 155 A B P 1 +ATOM 532 O OP1 . A A 1 26 ? 51.211 -8.399 33.894 1.00 24.42 ? 155 A B OP1 1 +ATOM 533 O OP2 . A A 1 26 ? 49.623 -6.480 34.488 1.00 21.45 ? 155 A B OP2 1 +ATOM 534 O "O5'" . A A 1 26 ? 51.332 -6.229 32.679 1.00 25.64 ? 155 A B "O5'" 1 +ATOM 535 C "C5'" . A A 1 26 ? 52.336 -5.467 33.346 1.00 25.24 ? 155 A B "C5'" 1 +ATOM 536 C "C4'" . A A 1 26 ? 53.646 -5.576 32.598 1.00 26.32 ? 155 A B "C4'" 1 +ATOM 537 O "O4'" . A A 1 26 ? 54.209 -6.900 32.788 1.00 25.00 ? 155 A B "O4'" 1 +ATOM 538 C "C3'" . A A 1 26 ? 53.539 -5.426 31.092 1.00 27.02 ? 155 A B "C3'" 1 +ATOM 539 O "O3'" . A A 1 26 ? 53.569 -4.055 30.714 1.00 28.93 ? 155 A B "O3'" 1 +ATOM 540 C "C2'" . A A 1 26 ? 54.772 -6.174 30.609 1.00 26.93 ? 155 A B "C2'" 1 +ATOM 541 O "O2'" . A A 1 26 ? 55.949 -5.408 30.765 1.00 29.35 ? 155 A B "O2'" 1 +ATOM 542 C "C1'" . A A 1 26 ? 54.820 -7.335 31.596 1.00 23.04 ? 155 A B "C1'" 1 +ATOM 543 N N9 . A A 1 26 ? 54.129 -8.544 31.166 1.00 19.85 ? 155 A B N9 1 +ATOM 544 C C8 . A A 1 26 ? 53.016 -9.102 31.735 1.00 18.09 ? 155 A B C8 1 +ATOM 545 N N7 . A A 1 26 ? 52.662 -10.242 31.195 1.00 18.27 ? 155 A B N7 1 +ATOM 546 C C5 . A A 1 26 ? 53.598 -10.439 30.188 1.00 17.72 ? 155 A B C5 1 +ATOM 547 C C6 . A A 1 26 ? 53.784 -11.476 29.259 1.00 18.39 ? 155 A B C6 1 +ATOM 548 N N6 . A A 1 26 ? 53.017 -12.576 29.205 1.00 17.87 ? 155 A B N6 1 +ATOM 549 N N1 . A A 1 26 ? 54.804 -11.355 28.379 1.00 18.68 ? 155 A B N1 1 +ATOM 550 C C2 . A A 1 26 ? 55.581 -10.272 28.444 1.00 19.25 ? 155 A B C2 1 +ATOM 551 N N3 . A A 1 26 ? 55.515 -9.238 29.282 1.00 21.38 ? 155 A B N3 1 +ATOM 552 C C4 . A A 1 26 ? 54.490 -9.386 30.141 1.00 19.23 ? 155 A B C4 1 +ATOM 553 P P . A A 1 27 ? 52.532 -3.519 29.610 1.00 32.75 ? 156 A B P 1 +ATOM 554 O OP1 . A A 1 27 ? 52.550 -2.036 29.599 1.00 27.45 ? 156 A B OP1 1 +ATOM 555 O OP2 . A A 1 27 ? 51.251 -4.229 29.867 1.00 26.39 ? 156 A B OP2 1 +ATOM 556 O "O5'" . A A 1 27 ? 53.146 -4.038 28.232 1.00 31.05 ? 156 A B "O5'" 1 +ATOM 557 C "C5'" . A A 1 27 ? 54.492 -3.746 27.868 1.00 30.23 ? 156 A B "C5'" 1 +ATOM 558 C "C4'" . A A 1 27 ? 54.941 -4.673 26.766 1.00 30.15 ? 156 A B "C4'" 1 +ATOM 559 O "O4'" . A A 1 27 ? 54.879 -6.031 27.263 1.00 31.26 ? 156 A B "O4'" 1 +ATOM 560 C "C3'" . A A 1 27 ? 54.062 -4.680 25.525 1.00 30.63 ? 156 A B "C3'" 1 +ATOM 561 O "O3'" . A A 1 27 ? 54.498 -3.703 24.588 1.00 29.90 ? 156 A B "O3'" 1 +ATOM 562 C "C2'" . A A 1 27 ? 54.277 -6.078 24.954 1.00 30.42 ? 156 A B "C2'" 1 +ATOM 563 O "O2'" . A A 1 27 ? 55.418 -6.154 24.128 1.00 33.49 ? 156 A B "O2'" 1 +ATOM 564 C "C1'" . A A 1 27 ? 54.504 -6.908 26.216 1.00 28.68 ? 156 A B "C1'" 1 +ATOM 565 N N9 . A A 1 27 ? 53.370 -7.714 26.671 1.00 20.09 ? 156 A B N9 1 +ATOM 566 C C8 . A A 1 27 ? 52.401 -7.386 27.585 1.00 19.23 ? 156 A B C8 1 +ATOM 567 N N7 . A A 1 27 ? 51.580 -8.374 27.861 1.00 17.18 ? 156 A B N7 1 +ATOM 568 C C5 . A A 1 27 ? 52.029 -9.413 27.058 1.00 16.89 ? 156 A B C5 1 +ATOM 569 C C6 . A A 1 27 ? 51.594 -10.750 26.899 1.00 17.18 ? 156 A B C6 1 +ATOM 570 N N6 . A A 1 27 ? 50.596 -11.297 27.601 1.00 17.52 ? 156 A B N6 1 +ATOM 571 N N1 . A A 1 27 ? 52.239 -11.518 25.988 1.00 16.79 ? 156 A B N1 1 +ATOM 572 C C2 . A A 1 27 ? 53.260 -10.977 25.308 1.00 18.78 ? 156 A B C2 1 +ATOM 573 N N3 . A A 1 27 ? 53.776 -9.738 25.390 1.00 18.68 ? 156 A B N3 1 +ATOM 574 C C4 . A A 1 27 ? 53.107 -9.006 26.293 1.00 17.41 ? 156 A B C4 1 +ATOM 575 P P . A A 1 28 ? 53.523 -3.261 23.390 1.00 27.33 ? 157 A B P 1 +ATOM 576 O OP1 . A A 1 28 ? 54.238 -2.271 22.541 1.00 24.20 ? 157 A B OP1 1 +ATOM 577 O OP2 . A A 1 28 ? 52.231 -2.884 24.019 1.00 23.92 ? 157 A B OP2 1 +ATOM 578 O "O5'" . A A 1 28 ? 53.292 -4.607 22.556 1.00 25.43 ? 157 A B "O5'" 1 +ATOM 579 C "C5'" . A A 1 28 ? 54.275 -5.094 21.639 1.00 23.85 ? 157 A B "C5'" 1 +ATOM 580 C "C4'" . A A 1 28 ? 53.852 -6.438 21.070 1.00 25.25 ? 157 A B "C4'" 1 +ATOM 581 O "O4'" . A A 1 28 ? 53.670 -7.386 22.159 1.00 25.11 ? 157 A B "O4'" 1 +ATOM 582 C "C3'" . A A 1 28 ? 52.529 -6.458 20.319 1.00 26.56 ? 157 A B "C3'" 1 +ATOM 583 O "O3'" . A A 1 28 ? 52.725 -6.124 18.951 1.00 30.07 ? 157 A B "O3'" 1 +ATOM 584 C "C2'" . A A 1 28 ? 52.085 -7.906 20.487 1.00 25.26 ? 157 A B "C2'" 1 +ATOM 585 O "O2'" . A A 1 28 ? 52.764 -8.804 19.637 1.00 26.00 ? 157 A B "O2'" 1 +ATOM 586 C "C1'" . A A 1 28 ? 52.520 -8.185 21.922 1.00 23.06 ? 157 A B "C1'" 1 +ATOM 587 N N9 . A A 1 28 ? 51.508 -7.826 22.920 1.00 20.50 ? 157 A B N9 1 +ATOM 588 C C8 . A A 1 28 ? 51.211 -6.563 23.361 1.00 18.77 ? 157 A B C8 1 +ATOM 589 N N7 . A A 1 28 ? 50.288 -6.531 24.288 1.00 18.94 ? 157 A B N7 1 +ATOM 590 C C5 . A A 1 28 ? 49.950 -7.863 24.473 1.00 17.66 ? 157 A B C5 1 +ATOM 591 C C6 . A A 1 28 ? 49.035 -8.494 25.338 1.00 18.85 ? 157 A B C6 1 +ATOM 592 N N6 . A A 1 28 ? 48.298 -7.833 26.232 1.00 19.85 ? 157 A B N6 1 +ATOM 593 N N1 . A A 1 28 ? 48.911 -9.841 25.260 1.00 17.37 ? 157 A B N1 1 +ATOM 594 C C2 . A A 1 28 ? 49.676 -10.495 24.378 1.00 18.41 ? 157 A B C2 1 +ATOM 595 N N3 . A A 1 28 ? 50.591 -10.013 23.526 1.00 18.39 ? 157 A B N3 1 +ATOM 596 C C4 . A A 1 28 ? 50.679 -8.673 23.624 1.00 18.26 ? 157 A B C4 1 +ATOM 597 P P . G A 1 29 ? 51.682 -5.151 18.210 1.00 41.23 ? 158 G B P 1 +ATOM 598 O OP1 . G A 1 29 ? 52.142 -4.944 16.806 1.00 30.53 ? 158 G B OP1 1 +ATOM 599 O OP2 . G A 1 29 ? 51.496 -3.976 19.103 1.00 30.54 ? 158 G B OP2 1 +ATOM 600 O "O5'" . G A 1 29 ? 50.344 -6.012 18.166 1.00 40.19 ? 158 G B "O5'" 1 +ATOM 601 C "C5'" . G A 1 29 ? 49.073 -5.443 18.465 1.00 38.94 ? 158 G B "C5'" 1 +ATOM 602 C "C4'" . G A 1 29 ? 48.379 -6.282 19.510 1.00 39.61 ? 158 G B "C4'" 1 +ATOM 603 O "O4'" . G A 1 29 ? 49.022 -6.061 20.795 1.00 38.67 ? 158 G B "O4'" 1 +ATOM 604 C "C3'" . G A 1 29 ? 46.923 -5.960 19.777 1.00 39.72 ? 158 G B "C3'" 1 +ATOM 605 O "O3'" . G A 1 29 ? 46.088 -6.623 18.836 1.00 41.38 ? 158 G B "O3'" 1 +ATOM 606 C "C2'" . G A 1 29 ? 46.739 -6.532 21.175 1.00 38.55 ? 158 G B "C2'" 1 +ATOM 607 O "O2'" . G A 1 29 ? 46.627 -7.942 21.159 1.00 37.27 ? 158 G B "O2'" 1 +ATOM 608 C "C1'" . G A 1 29 ? 48.056 -6.126 21.832 1.00 37.44 ? 158 G B "C1'" 1 +ATOM 609 N N9 . G A 1 29 ? 48.006 -4.824 22.497 1.00 25.30 ? 158 G B N9 1 +ATOM 610 C C8 . G A 1 29 ? 48.641 -3.671 22.107 1.00 22.13 ? 158 G B C8 1 +ATOM 611 N N7 . G A 1 29 ? 48.418 -2.667 22.908 1.00 21.41 ? 158 G B N7 1 +ATOM 612 C C5 . G A 1 29 ? 47.581 -3.183 23.886 1.00 22.26 ? 158 G B C5 1 +ATOM 613 C C6 . G A 1 29 ? 47.002 -2.561 25.018 1.00 21.92 ? 158 G B C6 1 +ATOM 614 O O6 . G A 1 29 ? 47.127 -1.392 25.401 1.00 22.52 ? 158 G B O6 1 +ATOM 615 N N1 . G A 1 29 ? 46.212 -3.448 25.743 1.00 20.86 ? 158 G B N1 1 +ATOM 616 C C2 . G A 1 29 ? 46.015 -4.768 25.429 1.00 22.55 ? 158 G B C2 1 +ATOM 617 N N2 . G A 1 29 ? 45.232 -5.470 26.268 1.00 21.82 ? 158 G B N2 1 +ATOM 618 N N3 . G A 1 29 ? 46.551 -5.362 24.373 1.00 24.12 ? 158 G B N3 1 +ATOM 619 C C4 . G A 1 29 ? 47.316 -4.514 23.649 1.00 24.07 ? 158 G B C4 1 +ATOM 620 P P . G A 1 30 ? 44.825 -5.850 18.210 1.00 40.52 ? 159 G B P 1 +ATOM 621 O OP1 . G A 1 30 ? 44.464 -6.498 16.918 1.00 32.96 ? 159 G B OP1 1 +ATOM 622 O OP2 . G A 1 30 ? 45.154 -4.396 18.252 1.00 27.76 ? 159 G B OP2 1 +ATOM 623 O "O5'" . G A 1 30 ? 43.654 -6.128 19.245 1.00 38.36 ? 159 G B "O5'" 1 +ATOM 624 C "C5'" . G A 1 30 ? 43.846 -5.783 20.591 1.00 38.21 ? 159 G B "C5'" 1 +ATOM 625 C "C4'" . G A 1 30 ? 42.874 -6.491 21.487 1.00 37.87 ? 159 G B "C4'" 1 +ATOM 626 O "O4'" . G A 1 30 ? 43.473 -6.502 22.809 1.00 37.76 ? 159 G B "O4'" 1 +ATOM 627 C "C3'" . G A 1 30 ? 41.539 -5.774 21.641 1.00 37.42 ? 159 G B "C3'" 1 +ATOM 628 O "O3'" . G A 1 30 ? 40.550 -6.319 20.778 1.00 39.66 ? 159 G B "O3'" 1 +ATOM 629 C "C2'" . G A 1 30 ? 41.228 -6.000 23.111 1.00 36.18 ? 159 G B "C2'" 1 +ATOM 630 O "O2'" . G A 1 30 ? 40.762 -7.311 23.369 1.00 34.27 ? 159 G B "O2'" 1 +ATOM 631 C "C1'" . G A 1 30 ? 42.623 -5.837 23.710 1.00 34.89 ? 159 G B "C1'" 1 +ATOM 632 N N9 . G A 1 30 ? 43.065 -4.447 23.750 1.00 24.15 ? 159 G B N9 1 +ATOM 633 C C8 . G A 1 30 ? 43.882 -3.806 22.845 1.00 21.71 ? 159 G B C8 1 +ATOM 634 N N7 . G A 1 30 ? 44.075 -2.552 23.131 1.00 21.11 ? 159 G B N7 1 +ATOM 635 C C5 . G A 1 30 ? 43.352 -2.354 24.299 1.00 21.47 ? 159 G B C5 1 +ATOM 636 C C6 . G A 1 30 ? 43.174 -1.196 25.076 1.00 21.17 ? 159 G B C6 1 +ATOM 637 O O6 . G A 1 30 ? 43.636 -0.066 24.887 1.00 25.07 ? 159 G B O6 1 +ATOM 638 N N1 . G A 1 30 ? 42.365 -1.439 26.176 1.00 20.52 ? 159 G B N1 1 +ATOM 639 C C2 . G A 1 30 ? 41.800 -2.649 26.487 1.00 21.50 ? 159 G B C2 1 +ATOM 640 N N2 . G A 1 30 ? 41.054 -2.696 27.597 1.00 22.29 ? 159 G B N2 1 +ATOM 641 N N3 . G A 1 30 ? 41.954 -3.735 25.767 1.00 21.22 ? 159 G B N3 1 +ATOM 642 C C4 . G A 1 30 ? 42.734 -3.518 24.695 1.00 21.97 ? 159 G B C4 1 +ATOM 643 P P . A A 1 31 ? 39.305 -5.411 20.315 1.00 41.49 ? 160 A B P 1 +ATOM 644 O OP1 . A A 1 31 ? 38.311 -6.315 19.675 1.00 37.01 ? 160 A B OP1 1 +ATOM 645 O OP2 . A A 1 31 ? 39.821 -4.223 19.570 1.00 35.89 ? 160 A B OP2 1 +ATOM 646 O "O5'" . A A 1 31 ? 38.659 -4.902 21.678 1.00 38.17 ? 160 A B "O5'" 1 +ATOM 647 C "C5'" . A A 1 31 ? 37.860 -5.771 22.456 1.00 33.54 ? 160 A B "C5'" 1 +ATOM 648 C "C4'" . A A 1 31 ? 37.319 -5.042 23.649 1.00 32.10 ? 160 A B "C4'" 1 +ATOM 649 O "O4'" . A A 1 31 ? 38.417 -4.526 24.445 1.00 31.11 ? 160 A B "O4'" 1 +ATOM 650 C "C3'" . A A 1 31 ? 36.519 -3.796 23.344 1.00 31.61 ? 160 A B "C3'" 1 +ATOM 651 O "O3'" . A A 1 31 ? 35.193 -4.116 22.979 1.00 31.05 ? 160 A B "O3'" 1 +ATOM 652 C "C2'" . A A 1 31 ? 36.555 -3.095 24.685 1.00 31.11 ? 160 A B "C2'" 1 +ATOM 653 O "O2'" . A A 1 31 ? 35.719 -3.755 25.610 1.00 32.65 ? 160 A B "O2'" 1 +ATOM 654 C "C1'" . A A 1 31 ? 38.014 -3.317 25.073 1.00 30.36 ? 160 A B "C1'" 1 +ATOM 655 N N9 . A A 1 31 ? 38.854 -2.240 24.562 1.00 25.64 ? 160 A B N9 1 +ATOM 656 C C8 . A A 1 31 ? 39.653 -2.269 23.447 1.00 25.43 ? 160 A B C8 1 +ATOM 657 N N7 . A A 1 31 ? 40.281 -1.141 23.217 1.00 24.78 ? 160 A B N7 1 +ATOM 658 C C5 . A A 1 31 ? 39.870 -0.313 24.255 1.00 23.44 ? 160 A B C5 1 +ATOM 659 C C6 . A A 1 31 ? 40.171 1.025 24.573 1.00 21.99 ? 160 A B C6 1 +ATOM 660 N N6 . A A 1 31 ? 41.011 1.782 23.859 1.00 19.81 ? 160 A B N6 1 +ATOM 661 N N1 . A A 1 31 ? 39.578 1.560 25.663 1.00 21.95 ? 160 A B N1 1 +ATOM 662 C C2 . A A 1 31 ? 38.755 0.788 26.388 1.00 22.95 ? 160 A B C2 1 +ATOM 663 N N3 . A A 1 31 ? 38.404 -0.484 26.198 1.00 23.23 ? 160 A B N3 1 +ATOM 664 C C4 . A A 1 31 ? 38.997 -0.980 25.097 1.00 24.16 ? 160 A B C4 1 +ATOM 665 P P . A A 1 32 ? 34.352 -3.080 22.096 1.00 25.51 ? 161 A B P 1 +ATOM 666 O OP1 . A A 1 32 ? 33.183 -3.826 21.570 1.00 24.53 ? 161 A B OP1 1 +ATOM 667 O OP2 . A A 1 32 ? 35.287 -2.428 21.155 1.00 22.88 ? 161 A B OP2 1 +ATOM 668 O "O5'" . A A 1 32 ? 33.878 -1.987 23.155 1.00 26.77 ? 161 A B "O5'" 1 +ATOM 669 C "C5'" . A A 1 32 ? 33.029 -2.352 24.234 1.00 22.90 ? 161 A B "C5'" 1 +ATOM 670 C "C4'" . A A 1 32 ? 33.026 -1.282 25.294 1.00 21.09 ? 161 A B "C4'" 1 +ATOM 671 O "O4'" . A A 1 32 ? 34.400 -0.982 25.661 1.00 21.15 ? 161 A B "O4'" 1 +ATOM 672 C "C3'" . A A 1 32 ? 32.480 0.079 24.896 1.00 21.73 ? 161 A B "C3'" 1 +ATOM 673 O "O3'" . A A 1 32 ? 31.049 0.110 24.897 1.00 20.60 ? 161 A B "O3'" 1 +ATOM 674 C "C2'" . A A 1 32 ? 33.079 0.951 25.990 1.00 21.79 ? 161 A B "C2'" 1 +ATOM 675 O "O2'" . A A 1 32 ? 32.443 0.756 27.230 1.00 22.88 ? 161 A B "O2'" 1 +ATOM 676 C "C1'" . A A 1 32 ? 34.491 0.372 26.089 1.00 22.24 ? 161 A B "C1'" 1 +ATOM 677 N N9 . A A 1 32 ? 35.421 1.088 25.213 1.00 20.29 ? 161 A B N9 1 +ATOM 678 C C8 . A A 1 32 ? 35.870 0.718 23.972 1.00 20.20 ? 161 A B C8 1 +ATOM 679 N N7 . A A 1 32 ? 36.664 1.602 23.411 1.00 19.77 ? 161 A B N7 1 +ATOM 680 C C5 . A A 1 32 ? 36.757 2.614 24.355 1.00 20.44 ? 161 A B C5 1 +ATOM 681 C C6 . A A 1 32 ? 37.455 3.842 24.370 1.00 20.20 ? 161 A B C6 1 +ATOM 682 N N6 . A A 1 32 ? 38.216 4.276 23.368 1.00 19.78 ? 161 A B N6 1 +ATOM 683 N N1 . A A 1 32 ? 37.335 4.618 25.467 1.00 20.19 ? 161 A B N1 1 +ATOM 684 C C2 . A A 1 32 ? 36.564 4.192 26.471 1.00 19.33 ? 161 A B C2 1 +ATOM 685 N N3 . A A 1 32 ? 35.860 3.061 26.576 1.00 21.16 ? 161 A B N3 1 +ATOM 686 C C4 . A A 1 32 ? 36.003 2.307 25.473 1.00 20.33 ? 161 A B C4 1 +ATOM 687 P P . G A 1 33 ? 30.259 0.877 23.709 1.00 19.13 ? 162 G B P 1 +ATOM 688 O OP1 . G A 1 33 ? 28.810 0.832 24.039 1.00 21.31 ? 162 G B OP1 1 +ATOM 689 O OP2 . G A 1 33 ? 30.716 0.385 22.378 1.00 17.39 ? 162 G B OP2 1 +ATOM 690 O "O5'" . G A 1 33 ? 30.737 2.394 23.852 1.00 16.02 ? 162 G B "O5'" 1 +ATOM 691 C "C5'" . G A 1 33 ? 30.385 3.149 25.000 1.00 14.21 ? 162 G B "C5'" 1 +ATOM 692 C "C4'" . G A 1 33 ? 31.196 4.414 25.067 1.00 14.56 ? 162 G B "C4'" 1 +ATOM 693 O "O4'" . G A 1 33 ? 32.596 4.074 24.955 1.00 17.42 ? 162 G B "O4'" 1 +ATOM 694 C "C3'" . G A 1 33 ? 30.992 5.396 23.933 1.00 16.45 ? 162 G B "C3'" 1 +ATOM 695 O "O3'" . G A 1 33 ? 29.851 6.203 24.183 1.00 16.70 ? 162 G B "O3'" 1 +ATOM 696 C "C2'" . G A 1 33 ? 32.273 6.214 23.997 1.00 16.72 ? 162 G B "C2'" 1 +ATOM 697 O "O2'" . G A 1 33 ? 32.234 7.163 25.036 1.00 17.31 ? 162 G B "O2'" 1 +ATOM 698 C "C1'" . G A 1 33 ? 33.303 5.136 24.334 1.00 18.45 ? 162 G B "C1'" 1 +ATOM 699 N N9 . G A 1 33 ? 33.984 4.618 23.148 1.00 23.09 ? 162 G B N9 1 +ATOM 700 C C8 . G A 1 33 ? 33.751 3.428 22.502 1.00 23.24 ? 162 G B C8 1 +ATOM 701 N N7 . G A 1 33 ? 34.485 3.273 21.431 1.00 24.01 ? 162 G B N7 1 +ATOM 702 C C5 . G A 1 33 ? 35.259 4.423 21.372 1.00 25.53 ? 162 G B C5 1 +ATOM 703 C C6 . G A 1 33 ? 36.231 4.834 20.418 1.00 26.42 ? 162 G B C6 1 +ATOM 704 O O6 . G A 1 33 ? 36.606 4.245 19.391 1.00 28.39 ? 162 G B O6 1 +ATOM 705 N N1 . G A 1 33 ? 36.777 6.072 20.747 1.00 27.24 ? 162 G B N1 1 +ATOM 706 C C2 . G A 1 33 ? 36.433 6.823 21.850 1.00 25.75 ? 162 G B C2 1 +ATOM 707 N N2 . G A 1 33 ? 37.081 7.990 22.004 1.00 23.99 ? 162 G B N2 1 +ATOM 708 N N3 . G A 1 33 ? 35.523 6.457 22.736 1.00 25.71 ? 162 G B N3 1 +ATOM 709 C C4 . G A 1 33 ? 34.978 5.256 22.436 1.00 25.50 ? 162 G B C4 1 +ATOM 710 P P . C A 1 34 ? 29.284 7.159 23.024 1.00 17.51 ? 163 C B P 1 +ATOM 711 O OP1 . C A 1 34 ? 27.806 7.024 23.005 1.00 16.50 ? 163 C B OP1 1 +ATOM 712 O OP2 . C A 1 34 ? 30.056 6.895 21.783 1.00 16.62 ? 163 C B OP2 1 +ATOM 713 O "O5'" . C A 1 34 ? 29.683 8.613 23.531 1.00 15.21 ? 163 C B "O5'" 1 +ATOM 714 C "C5'" . C A 1 34 ? 29.117 9.146 24.712 1.00 14.29 ? 163 C B "C5'" 1 +ATOM 715 C "C4'" . C A 1 34 ? 29.747 10.479 25.042 1.00 15.66 ? 163 C B "C4'" 1 +ATOM 716 O "O4'" . C A 1 34 ? 31.171 10.309 25.271 1.00 14.85 ? 163 C B "O4'" 1 +ATOM 717 C "C3'" . C A 1 34 ? 29.697 11.537 23.958 1.00 15.90 ? 163 C B "C3'" 1 +ATOM 718 O "O3'" . C A 1 34 ? 28.424 12.165 23.921 1.00 18.63 ? 163 C B "O3'" 1 +ATOM 719 C "C2'" . C A 1 34 ? 30.795 12.481 24.427 1.00 16.11 ? 163 C B "C2'" 1 +ATOM 720 O "O2'" . C A 1 34 ? 30.408 13.242 25.558 1.00 13.81 ? 163 C B "O2'" 1 +ATOM 721 C "C1'" . C A 1 34 ? 31.860 11.475 24.862 1.00 15.49 ? 163 C B "C1'" 1 +ATOM 722 N N1 . C A 1 34 ? 32.787 11.121 23.771 1.00 15.85 ? 163 C B N1 1 +ATOM 723 C C2 . C A 1 34 ? 33.813 12.016 23.461 1.00 17.89 ? 163 C B C2 1 +ATOM 724 O O2 . C A 1 34 ? 33.906 13.072 24.124 1.00 20.89 ? 163 C B O2 1 +ATOM 725 N N3 . C A 1 34 ? 34.674 11.723 22.454 1.00 17.26 ? 163 C B N3 1 +ATOM 726 C C4 . C A 1 34 ? 34.527 10.593 21.761 1.00 17.82 ? 163 C B C4 1 +ATOM 727 N N4 . C A 1 34 ? 35.385 10.359 20.744 1.00 15.41 ? 163 C B N4 1 +ATOM 728 C C5 . C A 1 34 ? 33.493 9.656 22.065 1.00 15.30 ? 163 C B C5 1 +ATOM 729 C C6 . C A 1 34 ? 32.654 9.958 23.069 1.00 14.38 ? 163 C B C6 1 +ATOM 730 P P . A A 1 35 ? 27.800 12.601 22.509 1.00 21.20 ? 164 A B P 1 +ATOM 731 O OP1 . A A 1 35 ? 26.384 12.994 22.711 1.00 15.41 ? 164 A B OP1 1 +ATOM 732 O OP2 . A A 1 35 ? 28.128 11.517 21.565 1.00 12.78 ? 164 A B OP2 1 +ATOM 733 O "O5'" . A A 1 35 ? 28.652 13.886 22.086 1.00 21.75 ? 164 A B "O5'" 1 +ATOM 734 C "C5'" . A A 1 35 ? 28.705 15.048 22.910 1.00 19.70 ? 164 A B "C5'" 1 +ATOM 735 C "C4'" . A A 1 35 ? 29.769 16.002 22.398 1.00 19.50 ? 164 A B "C4'" 1 +ATOM 736 O "O4'" . A A 1 35 ? 31.089 15.436 22.619 1.00 19.10 ? 164 A B "O4'" 1 +ATOM 737 C "C3'" . A A 1 35 ? 29.745 16.248 20.900 1.00 20.02 ? 164 A B "C3'" 1 +ATOM 738 O "O3'" . A A 1 35 ? 28.791 17.222 20.501 1.00 18.54 ? 164 A B "O3'" 1 +ATOM 739 C "C2'" . A A 1 35 ? 31.163 16.711 20.626 1.00 20.03 ? 164 A B "C2'" 1 +ATOM 740 O "O2'" . A A 1 35 ? 31.375 18.055 20.994 1.00 23.17 ? 164 A B "O2'" 1 +ATOM 741 C "C1'" . A A 1 35 ? 31.951 15.782 21.541 1.00 19.79 ? 164 A B "C1'" 1 +ATOM 742 N N9 . A A 1 35 ? 32.355 14.562 20.837 1.00 13.12 ? 164 A B N9 1 +ATOM 743 C C8 . A A 1 35 ? 31.863 13.286 20.987 1.00 12.96 ? 164 A B C8 1 +ATOM 744 N N7 . A A 1 35 ? 32.430 12.403 20.197 1.00 12.88 ? 164 A B N7 1 +ATOM 745 C C5 . A A 1 35 ? 33.359 13.147 19.477 1.00 12.25 ? 164 A B C5 1 +ATOM 746 C C6 . A A 1 35 ? 34.293 12.795 18.478 1.00 11.69 ? 164 A B C6 1 +ATOM 747 N N6 . A A 1 35 ? 34.445 11.559 18.002 1.00 12.95 ? 164 A B N6 1 +ATOM 748 N N1 . A A 1 35 ? 35.077 13.776 17.976 1.00 12.19 ? 164 A B N1 1 +ATOM 749 C C2 . A A 1 35 ? 34.924 15.021 18.450 1.00 12.48 ? 164 A B C2 1 +ATOM 750 N N3 . A A 1 35 ? 34.084 15.473 19.383 1.00 13.01 ? 164 A B N3 1 +ATOM 751 C C4 . A A 1 35 ? 33.322 14.477 19.862 1.00 11.48 ? 164 A B C4 1 +ATOM 752 P P . G A 1 36 ? 28.053 17.051 19.090 1.00 15.11 ? 165 G B P 1 +ATOM 753 O OP1 . G A 1 36 ? 27.145 18.206 18.882 1.00 17.00 ? 165 G B OP1 1 +ATOM 754 O OP2 . G A 1 36 ? 27.511 15.656 19.038 1.00 15.01 ? 165 G B OP2 1 +ATOM 755 O "O5'" . G A 1 36 ? 29.237 17.116 18.027 1.00 15.12 ? 165 G B "O5'" 1 +ATOM 756 C "C5'" . G A 1 36 ? 30.089 18.253 17.946 1.00 14.91 ? 165 G B "C5'" 1 +ATOM 757 C "C4'" . G A 1 36 ? 31.112 18.060 16.850 1.00 15.91 ? 165 G B "C4'" 1 +ATOM 758 O "O4'" . G A 1 36 ? 32.023 16.978 17.192 1.00 15.28 ? 165 G B "O4'" 1 +ATOM 759 C "C3'" . G A 1 36 ? 30.551 17.654 15.498 1.00 16.14 ? 165 G B "C3'" 1 +ATOM 760 O "O3'" . G A 1 36 ? 30.084 18.801 14.796 1.00 15.34 ? 165 G B "O3'" 1 +ATOM 761 C "C2'" . G A 1 36 ? 31.774 17.022 14.841 1.00 15.64 ? 165 G B "C2'" 1 +ATOM 762 O "O2'" . G A 1 36 ? 32.704 18.000 14.427 1.00 15.24 ? 165 G B "O2'" 1 +ATOM 763 C "C1'" . G A 1 36 ? 32.390 16.270 16.019 1.00 14.10 ? 165 G B "C1'" 1 +ATOM 764 N N9 . G A 1 36 ? 31.942 14.888 16.169 1.00 14.84 ? 165 G B N9 1 +ATOM 765 C C8 . G A 1 36 ? 30.980 14.425 17.038 1.00 14.04 ? 165 G B C8 1 +ATOM 766 N N7 . G A 1 36 ? 30.820 13.129 16.984 1.00 12.00 ? 165 G B N7 1 +ATOM 767 C C5 . G A 1 36 ? 31.718 12.711 16.015 1.00 12.46 ? 165 G B C5 1 +ATOM 768 C C6 . G A 1 36 ? 31.997 11.412 15.534 1.00 13.98 ? 165 G B C6 1 +ATOM 769 O O6 . G A 1 36 ? 31.492 10.339 15.885 1.00 18.79 ? 165 G B O6 1 +ATOM 770 N N1 . G A 1 36 ? 32.982 11.429 14.553 1.00 11.51 ? 165 G B N1 1 +ATOM 771 C C2 . G A 1 36 ? 33.627 12.554 14.110 1.00 13.68 ? 165 G B C2 1 +ATOM 772 N N2 . G A 1 36 ? 34.576 12.356 13.190 1.00 14.09 ? 165 G B N2 1 +ATOM 773 N N3 . G A 1 36 ? 33.370 13.780 14.547 1.00 11.65 ? 165 G B N3 1 +ATOM 774 C C4 . G A 1 36 ? 32.414 13.783 15.494 1.00 11.89 ? 165 G B C4 1 +ATOM 775 P P . C A 1 37 ? 28.806 18.678 13.831 1.00 17.31 ? 166 C B P 1 +ATOM 776 O OP1 . C A 1 37 ? 28.553 20.020 13.246 1.00 22.51 ? 166 C B OP1 1 +ATOM 777 O OP2 . C A 1 37 ? 27.724 17.984 14.562 1.00 20.99 ? 166 C B OP2 1 +ATOM 778 O "O5'" . C A 1 37 ? 29.292 17.700 12.672 1.00 17.83 ? 166 C B "O5'" 1 +ATOM 779 C "C5'" . C A 1 37 ? 30.360 18.064 11.802 1.00 17.58 ? 166 C B "C5'" 1 +ATOM 780 C "C4'" . C A 1 37 ? 30.782 16.871 10.982 1.00 19.22 ? 166 C B "C4'" 1 +ATOM 781 O "O4'" . C A 1 37 ? 31.366 15.872 11.860 1.00 18.69 ? 166 C B "O4'" 1 +ATOM 782 C "C3'" . C A 1 37 ? 29.649 16.126 10.296 1.00 19.87 ? 166 C B "C3'" 1 +ATOM 783 O "O3'" . C A 1 37 ? 29.319 16.720 9.050 1.00 20.84 ? 166 C B "O3'" 1 +ATOM 784 C "C2'" . C A 1 37 ? 30.252 14.746 10.094 1.00 19.12 ? 166 C B "C2'" 1 +ATOM 785 O "O2'" . C A 1 37 ? 31.134 14.736 8.998 1.00 20.07 ? 166 C B "O2'" 1 +ATOM 786 C "C1'" . C A 1 37 ? 31.052 14.576 11.387 1.00 18.04 ? 166 C B "C1'" 1 +ATOM 787 N N1 . C A 1 37 ? 30.294 13.879 12.430 1.00 19.83 ? 166 C B N1 1 +ATOM 788 C C2 . C A 1 37 ? 30.390 12.487 12.509 1.00 20.12 ? 166 C B C2 1 +ATOM 789 O O2 . C A 1 37 ? 31.100 11.885 11.689 1.00 20.93 ? 166 C B O2 1 +ATOM 790 N N3 . C A 1 37 ? 29.709 11.831 13.473 1.00 19.12 ? 166 C B N3 1 +ATOM 791 C C4 . C A 1 37 ? 28.963 12.514 14.342 1.00 17.08 ? 166 C B C4 1 +ATOM 792 N N4 . C A 1 37 ? 28.351 11.827 15.297 1.00 12.69 ? 166 C B N4 1 +ATOM 793 C C5 . C A 1 37 ? 28.827 13.934 14.270 1.00 15.95 ? 166 C B C5 1 +ATOM 794 C C6 . C A 1 37 ? 29.508 14.570 13.309 1.00 17.34 ? 166 C B C6 1 +ATOM 795 P P . C A 1 38 ? 27.835 16.553 8.471 1.00 26.19 ? 167 C B P 1 +ATOM 796 O OP1 . C A 1 38 ? 27.764 17.229 7.148 1.00 24.51 ? 167 C B OP1 1 +ATOM 797 O OP2 . C A 1 38 ? 26.915 16.958 9.555 1.00 27.00 ? 167 C B OP2 1 +ATOM 798 O "O5'" . C A 1 38 ? 27.666 14.982 8.249 1.00 22.57 ? 167 C B "O5'" 1 +ATOM 799 C "C5'" . C A 1 38 ? 28.305 14.357 7.156 1.00 21.04 ? 167 C B "C5'" 1 +ATOM 800 C "C4'" . C A 1 38 ? 28.209 12.859 7.260 1.00 20.55 ? 167 C B "C4'" 1 +ATOM 801 O "O4'" . C A 1 38 ? 28.805 12.415 8.504 1.00 20.46 ? 167 C B "O4'" 1 +ATOM 802 C "C3'" . C A 1 38 ? 26.824 12.232 7.299 1.00 20.28 ? 167 C B "C3'" 1 +ATOM 803 O "O3'" . C A 1 38 ? 26.263 12.113 5.994 1.00 18.84 ? 167 C B "O3'" 1 +ATOM 804 C "C2'" . C A 1 38 ? 27.154 10.847 7.829 1.00 19.90 ? 167 C B "C2'" 1 +ATOM 805 O "O2'" . C A 1 38 ? 27.729 10.048 6.825 1.00 20.97 ? 167 C B "O2'" 1 +ATOM 806 C "C1'" . C A 1 38 ? 28.228 11.167 8.868 1.00 20.63 ? 167 C B "C1'" 1 +ATOM 807 N N1 . C A 1 38 ? 27.608 11.269 10.194 1.00 20.76 ? 167 C B N1 1 +ATOM 808 C C2 . C A 1 38 ? 27.259 10.082 10.838 1.00 20.86 ? 167 C B C2 1 +ATOM 809 O O2 . C A 1 38 ? 27.533 8.998 10.286 1.00 19.26 ? 167 C B O2 1 +ATOM 810 N N3 . C A 1 38 ? 26.633 10.138 12.029 1.00 19.87 ? 167 C B N3 1 +ATOM 811 C C4 . C A 1 38 ? 26.355 11.320 12.580 1.00 19.91 ? 167 C B C4 1 +ATOM 812 N N4 . C A 1 38 ? 25.712 11.324 13.761 1.00 21.41 ? 167 C B N4 1 +ATOM 813 C C5 . C A 1 38 ? 26.719 12.547 11.952 1.00 16.50 ? 167 C B C5 1 +ATOM 814 C C6 . C A 1 38 ? 27.344 12.475 10.778 1.00 19.24 ? 167 C B C6 1 +ATOM 815 P P . A A 1 39 ? 24.666 12.161 5.809 1.00 21.24 ? 168 A B P 1 +ATOM 816 O OP1 . A A 1 39 ? 24.356 12.113 4.356 1.00 19.53 ? 168 A B OP1 1 +ATOM 817 O OP2 . A A 1 39 ? 24.138 13.275 6.634 1.00 18.16 ? 168 A B OP2 1 +ATOM 818 O "O5'" . A A 1 39 ? 24.148 10.803 6.454 1.00 22.16 ? 168 A B "O5'" 1 +ATOM 819 C "C5'" . A A 1 39 ? 24.399 9.549 5.822 1.00 22.57 ? 168 A B "C5'" 1 +ATOM 820 C "C4'" . A A 1 39 ? 23.980 8.421 6.729 1.00 23.91 ? 168 A B "C4'" 1 +ATOM 821 O "O4'" . A A 1 39 ? 24.697 8.547 7.986 1.00 22.44 ? 168 A B "O4'" 1 +ATOM 822 C "C3'" . A A 1 39 ? 22.514 8.418 7.145 1.00 24.97 ? 168 A B "C3'" 1 +ATOM 823 O "O3'" . A A 1 39 ? 21.705 7.763 6.177 1.00 25.49 ? 168 A B "O3'" 1 +ATOM 824 C "C2'" . A A 1 39 ? 22.559 7.616 8.436 1.00 24.64 ? 168 A B "C2'" 1 +ATOM 825 O "O2'" . A A 1 39 ? 22.662 6.234 8.181 1.00 26.37 ? 168 A B "O2'" 1 +ATOM 826 C "C1'" . A A 1 39 ? 23.861 8.124 9.055 1.00 24.23 ? 168 A B "C1'" 1 +ATOM 827 N N9 . A A 1 39 ? 23.632 9.259 9.948 1.00 22.05 ? 168 A B N9 1 +ATOM 828 C C8 . A A 1 39 ? 23.845 10.596 9.713 1.00 21.41 ? 168 A B C8 1 +ATOM 829 N N7 . A A 1 39 ? 23.519 11.368 10.723 1.00 20.33 ? 168 A B N7 1 +ATOM 830 C C5 . A A 1 39 ? 23.069 10.478 11.689 1.00 20.96 ? 168 A B C5 1 +ATOM 831 C C6 . A A 1 39 ? 22.572 10.665 12.992 1.00 21.72 ? 168 A B C6 1 +ATOM 832 N N6 . A A 1 39 ? 22.447 11.865 13.572 1.00 21.43 ? 168 A B N6 1 +ATOM 833 N N1 . A A 1 39 ? 22.200 9.565 13.686 1.00 20.11 ? 168 A B N1 1 +ATOM 834 C C2 . A A 1 39 ? 22.318 8.366 13.101 1.00 20.93 ? 168 A B C2 1 +ATOM 835 N N3 . A A 1 39 ? 22.769 8.062 11.885 1.00 22.12 ? 168 A B N3 1 +ATOM 836 C C4 . A A 1 39 ? 23.132 9.176 11.224 1.00 21.96 ? 168 A B C4 1 +ATOM 837 P P . A A 1 40 ? 20.153 8.155 6.035 1.00 25.46 ? 169 A B P 1 +ATOM 838 O OP1 . A A 1 40 ? 19.543 7.159 5.128 1.00 25.94 ? 169 A B OP1 1 +ATOM 839 O OP2 . A A 1 40 ? 20.054 9.602 5.722 1.00 23.54 ? 169 A B OP2 1 +ATOM 840 O "O5'" . A A 1 40 ? 19.540 7.938 7.484 1.00 24.55 ? 169 A B "O5'" 1 +ATOM 841 C "C5'" . A A 1 40 ? 19.322 6.635 7.998 1.00 23.63 ? 169 A B "C5'" 1 +ATOM 842 C "C4'" . A A 1 40 ? 18.808 6.727 9.409 1.00 23.49 ? 169 A B "C4'" 1 +ATOM 843 O "O4'" . A A 1 40 ? 19.800 7.422 10.211 1.00 23.30 ? 169 A B "O4'" 1 +ATOM 844 C "C3'" . A A 1 40 ? 17.553 7.563 9.600 1.00 23.35 ? 169 A B "C3'" 1 +ATOM 845 O "O3'" . A A 1 40 ? 16.378 6.798 9.374 1.00 23.64 ? 169 A B "O3'" 1 +ATOM 846 C "C2'" . A A 1 40 ? 17.658 7.923 11.070 1.00 23.12 ? 169 A B "C2'" 1 +ATOM 847 O "O2'" . A A 1 40 ? 17.323 6.818 11.871 1.00 25.36 ? 169 A B "O2'" 1 +ATOM 848 C "C1'" . A A 1 40 ? 19.154 8.203 11.201 1.00 21.20 ? 169 A B "C1'" 1 +ATOM 849 N N9 . A A 1 40 ? 19.492 9.607 10.966 1.00 17.96 ? 169 A B N9 1 +ATOM 850 C C8 . A A 1 40 ? 20.018 10.151 9.828 1.00 15.23 ? 169 A B C8 1 +ATOM 851 N N7 . A A 1 40 ? 20.223 11.442 9.904 1.00 16.61 ? 169 A B N7 1 +ATOM 852 C C5 . A A 1 40 ? 19.799 11.775 11.180 1.00 15.56 ? 169 A B C5 1 +ATOM 853 C C6 . A A 1 40 ? 19.760 12.999 11.876 1.00 15.48 ? 169 A B C6 1 +ATOM 854 N N6 . A A 1 40 ? 20.152 14.157 11.350 1.00 15.61 ? 169 A B N6 1 +ATOM 855 N N1 . A A 1 40 ? 19.294 12.990 13.146 1.00 16.63 ? 169 A B N1 1 +ATOM 856 C C2 . A A 1 40 ? 18.888 11.822 13.669 1.00 16.71 ? 169 A B C2 1 +ATOM 857 N N3 . A A 1 40 ? 18.871 10.605 13.109 1.00 16.41 ? 169 A B N3 1 +ATOM 858 C C4 . A A 1 40 ? 19.347 10.653 11.850 1.00 16.32 ? 169 A B C4 1 +ATOM 859 P P . G A 1 41 ? 15.050 7.516 8.817 1.00 24.70 ? 170 G B P 1 +ATOM 860 O OP1 . G A 1 41 ? 14.125 6.434 8.401 1.00 21.34 ? 170 G B OP1 1 +ATOM 861 O OP2 . G A 1 41 ? 15.466 8.539 7.830 1.00 21.06 ? 170 G B OP2 1 +ATOM 862 O "O5'" . G A 1 41 ? 14.436 8.279 10.078 1.00 24.48 ? 170 G B "O5'" 1 +ATOM 863 C "C5'" . G A 1 41 ? 13.796 7.560 11.126 1.00 25.42 ? 170 G B "C5'" 1 +ATOM 864 C "C4'" . G A 1 41 ? 13.590 8.434 12.349 1.00 25.66 ? 170 G B "C4'" 1 +ATOM 865 O "O4'" . G A 1 41 ? 14.868 8.964 12.792 1.00 27.17 ? 170 G B "O4'" 1 +ATOM 866 C "C3'" . G A 1 41 ? 12.726 9.680 12.216 1.00 25.99 ? 170 G B "C3'" 1 +ATOM 867 O "O3'" . G A 1 41 ? 11.337 9.382 12.297 1.00 28.31 ? 170 G B "O3'" 1 +ATOM 868 C "C2'" . G A 1 41 ? 13.161 10.467 13.443 1.00 25.57 ? 170 G B "C2'" 1 +ATOM 869 O "O2'" . G A 1 41 ? 12.610 9.975 14.644 1.00 25.10 ? 170 G B "O2'" 1 +ATOM 870 C "C1'" . G A 1 41 ? 14.665 10.219 13.426 1.00 24.53 ? 170 G B "C1'" 1 +ATOM 871 N N9 . G A 1 41 ? 15.296 11.250 12.617 1.00 19.58 ? 170 G B N9 1 +ATOM 872 C C8 . G A 1 41 ? 15.787 11.127 11.341 1.00 17.83 ? 170 G B C8 1 +ATOM 873 N N7 . G A 1 41 ? 16.249 12.250 10.863 1.00 17.83 ? 170 G B N7 1 +ATOM 874 C C5 . G A 1 41 ? 16.059 13.163 11.892 1.00 17.98 ? 170 G B C5 1 +ATOM 875 C C6 . G A 1 41 ? 16.352 14.550 11.956 1.00 18.27 ? 170 G B C6 1 +ATOM 876 O O6 . G A 1 41 ? 16.831 15.276 11.079 1.00 18.35 ? 170 G B O6 1 +ATOM 877 N N1 . G A 1 41 ? 16.009 15.087 13.194 1.00 19.28 ? 170 G B N1 1 +ATOM 878 C C2 . G A 1 41 ? 15.437 14.382 14.227 1.00 19.93 ? 170 G B C2 1 +ATOM 879 N N2 . G A 1 41 ? 15.176 15.072 15.343 1.00 19.54 ? 170 G B N2 1 +ATOM 880 N N3 . G A 1 41 ? 15.143 13.094 14.170 1.00 18.55 ? 170 G B N3 1 +ATOM 881 C C4 . G A 1 41 ? 15.483 12.554 12.984 1.00 17.56 ? 170 G B C4 1 +ATOM 882 P P . G A 1 42 ? 10.255 10.393 11.655 1.00 31.28 ? 171 G B P 1 +ATOM 883 O OP1 . G A 1 42 ? 8.914 9.871 12.021 1.00 26.59 ? 171 G B OP1 1 +ATOM 884 O OP2 . G A 1 42 ? 10.587 10.623 10.226 1.00 24.55 ? 171 G B OP2 1 +ATOM 885 O "O5'" . G A 1 42 ? 10.441 11.752 12.463 1.00 30.21 ? 171 G B "O5'" 1 +ATOM 886 C "C5'" . G A 1 42 ? 10.060 11.822 13.830 1.00 28.89 ? 171 G B "C5'" 1 +ATOM 887 C "C4'" . G A 1 42 ? 10.158 13.237 14.334 1.00 28.93 ? 171 G B "C4'" 1 +ATOM 888 O "O4'" . G A 1 42 ? 11.537 13.675 14.320 1.00 28.43 ? 171 G B "O4'" 1 +ATOM 889 C "C3'" . G A 1 42 ? 9.460 14.287 13.497 1.00 29.82 ? 171 G B "C3'" 1 +ATOM 890 O "O3'" . G A 1 42 ? 8.073 14.297 13.781 1.00 31.93 ? 171 G B "O3'" 1 +ATOM 891 C "C2'" . G A 1 42 ? 10.137 15.554 13.994 1.00 29.54 ? 171 G B "C2'" 1 +ATOM 892 O "O2'" . G A 1 42 ? 9.663 15.930 15.272 1.00 30.21 ? 171 G B "O2'" 1 +ATOM 893 C "C1'" . G A 1 42 ? 11.584 15.080 14.126 1.00 28.44 ? 171 G B "C1'" 1 +ATOM 894 N N9 . G A 1 42 ? 12.393 15.353 12.941 1.00 21.01 ? 171 G B N9 1 +ATOM 895 C C8 . G A 1 42 ? 12.899 14.429 12.065 1.00 21.19 ? 171 G B C8 1 +ATOM 896 N N7 . G A 1 42 ? 13.602 14.967 11.105 1.00 20.71 ? 171 G B N7 1 +ATOM 897 C C5 . G A 1 42 ? 13.556 16.329 11.364 1.00 17.87 ? 171 G B C5 1 +ATOM 898 C C6 . G A 1 42 ? 14.146 17.419 10.666 1.00 16.67 ? 171 G B C6 1 +ATOM 899 O O6 . G A 1 42 ? 14.869 17.392 9.656 1.00 15.35 ? 171 G B O6 1 +ATOM 900 N N1 . G A 1 42 ? 13.830 18.637 11.262 1.00 14.15 ? 171 G B N1 1 +ATOM 901 C C2 . G A 1 42 ? 13.064 18.786 12.384 1.00 15.72 ? 171 G B C2 1 +ATOM 902 N N2 . G A 1 42 ? 12.878 20.042 12.808 1.00 16.49 ? 171 G B N2 1 +ATOM 903 N N3 . G A 1 42 ? 12.519 17.779 13.049 1.00 17.90 ? 171 G B N3 1 +ATOM 904 C C4 . G A 1 42 ? 12.806 16.586 12.487 1.00 18.75 ? 171 G B C4 1 +ATOM 905 P P . C A 1 43 ? 7.041 14.865 12.693 1.00 29.61 ? 172 C B P 1 +ATOM 906 O OP1 . C A 1 43 ? 5.706 14.872 13.360 1.00 25.22 ? 172 C B OP1 1 +ATOM 907 O OP2 . C A 1 43 ? 7.228 14.138 11.404 1.00 23.41 ? 172 C B OP2 1 +ATOM 908 O "O5'" . C A 1 43 ? 7.518 16.367 12.479 1.00 27.54 ? 172 C B "O5'" 1 +ATOM 909 C "C5'" . C A 1 43 ? 7.338 17.329 13.508 1.00 27.23 ? 172 C B "C5'" 1 +ATOM 910 C "C4'" . C A 1 43 ? 7.640 18.703 12.983 1.00 27.24 ? 172 C B "C4'" 1 +ATOM 911 O "O4'" . C A 1 43 ? 9.060 18.832 12.746 1.00 26.68 ? 172 C B "O4'" 1 +ATOM 912 C "C3'" . C A 1 43 ? 7.021 19.004 11.632 1.00 27.90 ? 172 C B "C3'" 1 +ATOM 913 O "O3'" . C A 1 43 ? 5.668 19.393 11.787 1.00 28.19 ? 172 C B "O3'" 1 +ATOM 914 C "C2'" . C A 1 43 ? 7.910 20.130 11.124 1.00 27.07 ? 172 C B "C2'" 1 +ATOM 915 O "O2'" . C A 1 43 ? 7.599 21.387 11.694 1.00 27.76 ? 172 C B "O2'" 1 +ATOM 916 C "C1'" . C A 1 43 ? 9.277 19.663 11.621 1.00 26.26 ? 172 C B "C1'" 1 +ATOM 917 N N1 . C A 1 43 ? 10.006 18.884 10.619 1.00 23.46 ? 172 C B N1 1 +ATOM 918 C C2 . C A 1 43 ? 10.839 19.558 9.742 1.00 23.48 ? 172 C B C2 1 +ATOM 919 O O2 . C A 1 43 ? 10.921 20.799 9.835 1.00 23.92 ? 172 C B O2 1 +ATOM 920 N N3 . C A 1 43 ? 11.533 18.856 8.814 1.00 23.38 ? 172 C B N3 1 +ATOM 921 C C4 . C A 1 43 ? 11.406 17.526 8.749 1.00 23.01 ? 172 C B C4 1 +ATOM 922 N N4 . C A 1 43 ? 12.118 16.870 7.824 1.00 21.56 ? 172 C B N4 1 +ATOM 923 C C5 . C A 1 43 ? 10.550 16.812 9.628 1.00 23.71 ? 172 C B C5 1 +ATOM 924 C C6 . C A 1 43 ? 9.875 17.525 10.545 1.00 24.74 ? 172 C B C6 1 +ATOM 925 P P . A A 1 44 ? 4.701 19.415 10.512 1.00 31.45 ? 173 A B P 1 +ATOM 926 O OP1 . A A 1 44 ? 3.320 19.597 11.031 1.00 27.14 ? 173 A B OP1 1 +ATOM 927 O OP2 . A A 1 44 ? 5.026 18.252 9.647 1.00 26.68 ? 173 A B OP2 1 +ATOM 928 O "O5'" . A A 1 44 ? 5.140 20.730 9.735 1.00 29.41 ? 173 A B "O5'" 1 +ATOM 929 C "C5'" . A A 1 44 ? 5.089 20.777 8.325 1.00 27.91 ? 173 A B "C5'" 1 +ATOM 930 C "C4'" . A A 1 44 ? 6.033 21.829 7.809 1.00 27.30 ? 173 A B "C4'" 1 +ATOM 931 O "O4'" . A A 1 44 ? 7.388 21.492 8.202 1.00 26.20 ? 173 A B "O4'" 1 +ATOM 932 C "C3'" . A A 1 44 ? 6.108 21.933 6.300 1.00 26.35 ? 173 A B "C3'" 1 +ATOM 933 O "O3'" . A A 1 44 ? 5.038 22.739 5.825 1.00 27.34 ? 173 A B "O3'" 1 +ATOM 934 C "C2'" . A A 1 44 ? 7.460 22.598 6.117 1.00 25.19 ? 173 A B "C2'" 1 +ATOM 935 O "O2'" . A A 1 44 ? 7.403 23.967 6.465 1.00 25.91 ? 173 A B "O2'" 1 +ATOM 936 C "C1'" . A A 1 44 ? 8.286 21.865 7.173 1.00 24.35 ? 173 A B "C1'" 1 +ATOM 937 N N9 . A A 1 44 ? 8.946 20.653 6.689 1.00 19.59 ? 173 A B N9 1 +ATOM 938 C C8 . A A 1 44 ? 8.716 19.357 7.100 1.00 18.49 ? 173 A B C8 1 +ATOM 939 N N7 . A A 1 44 ? 9.460 18.465 6.485 1.00 18.60 ? 173 A B N7 1 +ATOM 940 C C5 . A A 1 44 ? 10.235 19.223 5.613 1.00 18.14 ? 173 A B C5 1 +ATOM 941 C C6 . A A 1 44 ? 11.224 18.871 4.669 1.00 17.53 ? 173 A B C6 1 +ATOM 942 N N6 . A A 1 44 ? 11.623 17.608 4.440 1.00 15.64 ? 173 A B N6 1 +ATOM 943 N N1 . A A 1 44 ? 11.792 19.872 3.956 1.00 13.36 ? 173 A B N1 1 +ATOM 944 C C2 . A A 1 44 ? 11.389 21.128 4.178 1.00 13.28 ? 173 A B C2 1 +ATOM 945 N N3 . A A 1 44 ? 10.479 21.585 5.033 1.00 15.70 ? 173 A B N3 1 +ATOM 946 C C4 . A A 1 44 ? 9.930 20.572 5.729 1.00 18.41 ? 173 A B C4 1 +ATOM 947 P P . G A 1 45 ? 4.119 22.212 4.616 1.00 25.32 ? 174 G B P 1 +ATOM 948 O OP1 . G A 1 45 ? 2.877 23.016 4.665 1.00 30.42 ? 174 G B OP1 1 +ATOM 949 O OP2 . G A 1 45 ? 4.042 20.731 4.642 1.00 28.06 ? 174 G B OP2 1 +ATOM 950 O "O5'" . G A 1 45 ? 4.921 22.618 3.313 1.00 22.89 ? 174 G B "O5'" 1 +ATOM 951 C "C5'" . G A 1 45 ? 5.279 23.969 3.092 1.00 24.84 ? 174 G B "C5'" 1 +ATOM 952 C "C4'" . G A 1 45 ? 6.413 24.044 2.106 1.00 23.99 ? 174 G B "C4'" 1 +ATOM 953 O "O4'" . G A 1 45 ? 7.613 23.485 2.704 1.00 22.52 ? 174 G B "O4'" 1 +ATOM 954 C "C3'" . G A 1 45 ? 6.243 23.208 0.849 1.00 24.37 ? 174 G B "C3'" 1 +ATOM 955 O "O3'" . G A 1 45 ? 5.364 23.810 -0.099 1.00 25.43 ? 174 G B "O3'" 1 +ATOM 956 C "C2'" . G A 1 45 ? 7.682 23.133 0.366 1.00 22.35 ? 174 G B "C2'" 1 +ATOM 957 O "O2'" . G A 1 45 ? 8.127 24.350 -0.187 1.00 22.09 ? 174 G B "O2'" 1 +ATOM 958 C "C1'" . G A 1 45 ? 8.410 22.902 1.688 1.00 21.70 ? 174 G B "C1'" 1 +ATOM 959 N N9 . G A 1 45 ? 8.564 21.479 1.962 1.00 22.18 ? 174 G B N9 1 +ATOM 960 C C8 . G A 1 45 ? 7.837 20.696 2.829 1.00 19.99 ? 174 G B C8 1 +ATOM 961 N N7 . G A 1 45 ? 8.218 19.444 2.826 1.00 20.45 ? 174 G B N7 1 +ATOM 962 C C5 . G A 1 45 ? 9.261 19.404 1.902 1.00 20.37 ? 174 G B C5 1 +ATOM 963 C C6 . G A 1 45 ? 10.067 18.322 1.462 1.00 20.91 ? 174 G B C6 1 +ATOM 964 O O6 . G A 1 45 ? 10.043 17.147 1.830 1.00 24.29 ? 174 G B O6 1 +ATOM 965 N N1 . G A 1 45 ? 10.985 18.721 0.498 1.00 21.37 ? 174 G B N1 1 +ATOM 966 C C2 . G A 1 45 ? 11.129 19.999 0.028 1.00 20.03 ? 174 G B C2 1 +ATOM 967 N N2 . G A 1 45 ? 12.061 20.180 -0.913 1.00 20.03 ? 174 G B N2 1 +ATOM 968 N N3 . G A 1 45 ? 10.407 21.023 0.446 1.00 20.00 ? 174 G B N3 1 +ATOM 969 C C4 . G A 1 45 ? 9.489 20.652 1.369 1.00 21.06 ? 174 G B C4 1 +ATOM 970 P P . G A 1 46 ? 4.600 22.890 -1.179 1.00 27.71 ? 175 G B P 1 +ATOM 971 O OP1 . G A 1 46 ? 3.663 23.789 -1.880 1.00 26.94 ? 175 G B OP1 1 +ATOM 972 O OP2 . G A 1 46 ? 4.083 21.665 -0.516 1.00 24.38 ? 175 G B OP2 1 +ATOM 973 O "O5'" . G A 1 46 ? 5.745 22.438 -2.190 1.00 27.75 ? 175 G B "O5'" 1 +ATOM 974 C "C5'" . G A 1 46 ? 6.473 23.398 -2.948 1.00 27.15 ? 175 G B "C5'" 1 +ATOM 975 C "C4'" . G A 1 46 ? 7.459 22.708 -3.859 1.00 27.16 ? 175 G B "C4'" 1 +ATOM 976 O "O4'" . G A 1 46 ? 8.487 22.051 -3.084 1.00 27.42 ? 175 G B "O4'" 1 +ATOM 977 C "C3'" . G A 1 46 ? 6.886 21.580 -4.688 1.00 29.73 ? 175 G B "C3'" 1 +ATOM 978 O "O3'" . G A 1 46 ? 6.262 22.119 -5.835 1.00 32.85 ? 175 G B "O3'" 1 +ATOM 979 C "C2'" . G A 1 46 ? 8.132 20.796 -5.069 1.00 28.09 ? 175 G B "C2'" 1 +ATOM 980 O "O2'" . G A 1 46 ? 8.817 21.385 -6.152 1.00 31.11 ? 175 G B "O2'" 1 +ATOM 981 C "C1'" . G A 1 46 ? 8.973 20.930 -3.801 1.00 26.99 ? 175 G B "C1'" 1 +ATOM 982 N N9 . G A 1 46 ? 8.891 19.750 -2.949 1.00 21.36 ? 175 G B N9 1 +ATOM 983 C C8 . G A 1 46 ? 8.148 19.590 -1.804 1.00 21.59 ? 175 G B C8 1 +ATOM 984 N N7 . G A 1 46 ? 8.276 18.402 -1.273 1.00 21.63 ? 175 G B N7 1 +ATOM 985 C C5 . G A 1 46 ? 9.156 17.739 -2.123 1.00 20.47 ? 175 G B C5 1 +ATOM 986 C C6 . G A 1 46 ? 9.665 16.402 -2.079 1.00 19.84 ? 175 G B C6 1 +ATOM 987 O O6 . G A 1 46 ? 9.421 15.504 -1.258 1.00 19.23 ? 175 G B O6 1 +ATOM 988 N N1 . G A 1 46 ? 10.531 16.153 -3.135 1.00 18.35 ? 175 G B N1 1 +ATOM 989 C C2 . G A 1 46 ? 10.859 17.054 -4.113 1.00 17.69 ? 175 G B C2 1 +ATOM 990 N N2 . G A 1 46 ? 11.703 16.618 -5.042 1.00 20.21 ? 175 G B N2 1 +ATOM 991 N N3 . G A 1 46 ? 10.392 18.287 -4.175 1.00 18.40 ? 175 G B N3 1 +ATOM 992 C C4 . G A 1 46 ? 9.551 18.560 -3.155 1.00 20.21 ? 175 G B C4 1 +ATOM 993 P P . U A 1 47 ? 5.048 21.336 -6.514 1.00 30.08 ? 176 U B P 1 +ATOM 994 O OP1 . U A 1 47 ? 4.670 22.133 -7.709 1.00 30.18 ? 176 U B OP1 1 +ATOM 995 O OP2 . U A 1 47 ? 4.040 21.063 -5.459 1.00 29.87 ? 176 U B OP2 1 +ATOM 996 O "O5'" . U A 1 47 ? 5.691 19.959 -6.979 1.00 26.52 ? 176 U B "O5'" 1 +ATOM 997 C "C5'" . U A 1 47 ? 6.573 19.925 -8.080 1.00 27.09 ? 176 U B "C5'" 1 +ATOM 998 C "C4'" . U A 1 47 ? 7.198 18.562 -8.213 1.00 26.74 ? 176 U B "C4'" 1 +ATOM 999 O "O4'" . U A 1 47 ? 8.039 18.284 -7.060 1.00 26.85 ? 176 U B "O4'" 1 +ATOM 1000 C "C3'" . U A 1 47 ? 6.243 17.386 -8.242 1.00 26.87 ? 176 U B "C3'" 1 +ATOM 1001 O "O3'" . U A 1 47 ? 5.691 17.216 -9.535 1.00 28.79 ? 176 U B "O3'" 1 +ATOM 1002 C "C2'" . U A 1 47 ? 7.188 16.244 -7.909 1.00 26.78 ? 176 U B "C2'" 1 +ATOM 1003 O "O2'" . U A 1 47 ? 7.989 15.923 -9.026 1.00 27.16 ? 176 U B "O2'" 1 +ATOM 1004 C "C1'" . U A 1 47 ? 8.045 16.884 -6.812 1.00 25.78 ? 176 U B "C1'" 1 +ATOM 1005 N N1 . U A 1 47 ? 7.474 16.645 -5.478 1.00 23.31 ? 176 U B N1 1 +ATOM 1006 C C2 . U A 1 47 ? 7.767 15.441 -4.859 1.00 22.26 ? 176 U B C2 1 +ATOM 1007 O O2 . U A 1 47 ? 8.498 14.602 -5.356 1.00 23.20 ? 176 U B O2 1 +ATOM 1008 N N3 . U A 1 47 ? 7.173 15.259 -3.636 1.00 20.08 ? 176 U B N3 1 +ATOM 1009 C C4 . U A 1 47 ? 6.334 16.141 -2.983 1.00 19.97 ? 176 U B C4 1 +ATOM 1010 O O4 . U A 1 47 ? 5.869 15.831 -1.887 1.00 18.09 ? 176 U B O4 1 +ATOM 1011 C C5 . U A 1 47 ? 6.094 17.369 -3.680 1.00 19.63 ? 176 U B C5 1 +ATOM 1012 C C6 . U A 1 47 ? 6.661 17.574 -4.871 1.00 21.84 ? 176 U B C6 1 +ATOM 1013 P P . C A 1 48 ? 4.217 16.598 -9.700 1.00 32.24 ? 177 C B P 1 +ATOM 1014 O OP1 . C A 1 48 ? 3.805 16.906 -11.089 1.00 34.28 ? 177 C B OP1 1 +ATOM 1015 O OP2 . C A 1 48 ? 3.367 17.037 -8.566 1.00 32.46 ? 177 C B OP2 1 +ATOM 1016 O "O5'" . C A 1 48 ? 4.427 15.027 -9.576 1.00 33.00 ? 177 C B "O5'" 1 +ATOM 1017 C "C5'" . C A 1 48 ? 5.278 14.336 -10.481 1.00 34.96 ? 177 C B "C5'" 1 +ATOM 1018 C "C4'" . C A 1 48 ? 5.640 12.979 -9.925 1.00 38.03 ? 177 C B "C4'" 1 +ATOM 1019 O "O4'" . C A 1 48 ? 6.301 13.146 -8.639 1.00 38.57 ? 177 C B "O4'" 1 +ATOM 1020 C "C3'" . C A 1 48 ? 4.487 12.037 -9.610 1.00 37.70 ? 177 C B "C3'" 1 +ATOM 1021 O "O3'" . C A 1 48 ? 4.055 11.370 -10.794 1.00 39.39 ? 177 C B "O3'" 1 +ATOM 1022 C "C2'" . C A 1 48 ? 5.137 11.068 -8.624 1.00 38.59 ? 177 C B "C2'" 1 +ATOM 1023 O "O2'" . C A 1 48 ? 5.915 10.070 -9.259 1.00 37.54 ? 177 C B "O2'" 1 +ATOM 1024 C "C1'" . C A 1 48 ? 6.064 12.000 -7.834 1.00 38.09 ? 177 C B "C1'" 1 +ATOM 1025 N N1 . C A 1 48 ? 5.511 12.437 -6.543 1.00 38.22 ? 177 C B N1 1 +ATOM 1026 C C2 . C A 1 48 ? 5.540 11.546 -5.456 1.00 38.39 ? 177 C B C2 1 +ATOM 1027 O O2 . C A 1 48 ? 6.036 10.422 -5.614 1.00 39.47 ? 177 C B O2 1 +ATOM 1028 N N3 . C A 1 48 ? 5.027 11.934 -4.268 1.00 37.25 ? 177 C B N3 1 +ATOM 1029 C C4 . C A 1 48 ? 4.497 13.154 -4.138 1.00 38.59 ? 177 C B C4 1 +ATOM 1030 N N4 . C A 1 48 ? 3.995 13.496 -2.949 1.00 38.91 ? 177 C B N4 1 +ATOM 1031 C C5 . C A 1 48 ? 4.457 14.082 -5.225 1.00 39.12 ? 177 C B C5 1 +ATOM 1032 C C6 . C A 1 48 ? 4.974 13.685 -6.398 1.00 38.81 ? 177 C B C6 1 +ATOM 1033 P P . C A 1 49 ? 2.572 10.737 -10.878 1.00 48.16 ? 178 C B P 1 +ATOM 1034 O OP1 . C A 1 49 ? 2.421 10.201 -12.248 1.00 31.84 ? 178 C B OP1 1 +ATOM 1035 O OP2 . C A 1 49 ? 1.590 11.732 -10.376 1.00 32.85 ? 178 C B OP2 1 +ATOM 1036 O "O5'" . C A 1 49 ? 2.608 9.487 -9.882 1.00 48.49 ? 178 C B "O5'" 1 +ATOM 1037 C "C5'" . C A 1 49 ? 3.027 8.203 -10.352 1.00 50.62 ? 178 C B "C5'" 1 +ATOM 1038 C "C4'" . C A 1 49 ? 2.884 7.153 -9.268 1.00 51.96 ? 178 C B "C4'" 1 +ATOM 1039 O "O4'" . C A 1 49 ? 3.642 7.565 -8.107 1.00 52.72 ? 178 C B "O4'" 1 +ATOM 1040 C "C3'" . C A 1 49 ? 1.485 6.882 -8.732 1.00 52.41 ? 178 C B "C3'" 1 +ATOM 1041 O "O3'" . C A 1 49 ? 0.828 5.844 -9.465 1.00 53.15 ? 178 C B "O3'" 1 +ATOM 1042 C "C2'" . C A 1 49 ? 1.771 6.295 -7.362 1.00 51.89 ? 178 C B "C2'" 1 +ATOM 1043 O "O2'" . C A 1 49 ? 2.092 4.924 -7.488 1.00 52.09 ? 178 C B "O2'" 1 +ATOM 1044 C "C1'" . C A 1 49 ? 2.999 7.107 -6.933 1.00 51.25 ? 178 C B "C1'" 1 +ATOM 1045 N N1 . C A 1 49 ? 2.698 8.285 -6.109 1.00 33.31 ? 178 C B N1 1 +ATOM 1046 C C2 . C A 1 49 ? 2.667 8.149 -4.722 1.00 32.56 ? 178 C B C2 1 +ATOM 1047 O O2 . C A 1 49 ? 2.883 7.031 -4.227 1.00 32.19 ? 178 C B O2 1 +ATOM 1048 N N3 . C A 1 49 ? 2.409 9.239 -3.955 1.00 30.43 ? 178 C B N3 1 +ATOM 1049 C C4 . C A 1 49 ? 2.193 10.424 -4.533 1.00 29.65 ? 178 C B C4 1 +ATOM 1050 N N4 . C A 1 49 ? 1.949 11.471 -3.744 1.00 28.48 ? 178 C B N4 1 +ATOM 1051 C C5 . C A 1 49 ? 2.217 10.587 -5.945 1.00 30.53 ? 178 C B C5 1 +ATOM 1052 C C6 . C A 1 49 ? 2.465 9.501 -6.690 1.00 32.69 ? 178 C B C6 1 +ATOM 1053 N N . PHE B 2 1 ? 31.603 35.314 28.271 1.00 32.03 ? 1 PHE A N 1 +ATOM 1054 C CA . PHE B 2 1 ? 32.701 34.341 28.585 1.00 33.42 ? 1 PHE A CA 1 +ATOM 1055 C C . PHE B 2 1 ? 32.160 32.941 28.882 1.00 33.61 ? 1 PHE A C 1 +ATOM 1056 O O . PHE B 2 1 ? 31.260 32.780 29.715 1.00 32.38 ? 1 PHE A O 1 +ATOM 1057 C CB . PHE B 2 1 ? 33.499 34.816 29.800 1.00 33.06 ? 1 PHE A CB 1 +ATOM 1058 C CG . PHE B 2 1 ? 34.702 33.979 30.088 1.00 32.75 ? 1 PHE A CG 1 +ATOM 1059 C CD1 . PHE B 2 1 ? 35.870 34.137 29.343 1.00 33.95 ? 1 PHE A CD1 1 +ATOM 1060 C CD2 . PHE B 2 1 ? 34.664 33.004 31.079 1.00 32.30 ? 1 PHE A CD2 1 +ATOM 1061 C CE1 . PHE B 2 1 ? 36.990 33.331 29.583 1.00 33.64 ? 1 PHE A CE1 1 +ATOM 1062 C CE2 . PHE B 2 1 ? 35.777 32.194 31.324 1.00 33.61 ? 1 PHE A CE2 1 +ATOM 1063 C CZ . PHE B 2 1 ? 36.940 32.361 30.573 1.00 33.44 ? 1 PHE A CZ 1 +ATOM 1064 N N . ASP B 2 2 ? 32.716 31.928 28.217 1.00 33.02 ? 2 ASP A N 1 +ATOM 1065 C CA . ASP B 2 2 ? 32.261 30.555 28.439 1.00 33.94 ? 2 ASP A CA 1 +ATOM 1066 C C . ASP B 2 2 ? 33.372 29.507 28.385 1.00 34.55 ? 2 ASP A C 1 +ATOM 1067 O O . ASP B 2 2 ? 34.555 29.837 28.329 1.00 35.33 ? 2 ASP A O 1 +ATOM 1068 C CB . ASP B 2 2 ? 31.157 30.197 27.437 1.00 31.97 ? 2 ASP A CB 1 +ATOM 1069 C CG . ASP B 2 2 ? 31.650 30.159 25.999 1.00 32.53 ? 2 ASP A CG 1 +ATOM 1070 O OD1 . ASP B 2 2 ? 30.796 30.174 25.091 1.00 33.56 ? 2 ASP A OD1 1 +ATOM 1071 O OD2 . ASP B 2 2 ? 32.877 30.102 25.763 1.00 31.34 ? 2 ASP A OD2 1 +ATOM 1072 N N . LEU B 2 3 ? 32.979 28.237 28.404 1.00 28.37 ? 3 LEU A N 1 +ATOM 1073 C CA . LEU B 2 3 ? 33.938 27.151 28.370 1.00 29.30 ? 3 LEU A CA 1 +ATOM 1074 C C . LEU B 2 3 ? 34.815 27.212 27.144 1.00 31.08 ? 3 LEU A C 1 +ATOM 1075 O O . LEU B 2 3 ? 35.960 26.781 27.183 1.00 32.21 ? 3 LEU A O 1 +ATOM 1076 C CB . LEU B 2 3 ? 33.208 25.820 28.448 1.00 27.87 ? 3 LEU A CB 1 +ATOM 1077 C CG . LEU B 2 3 ? 32.677 25.659 29.872 1.00 28.52 ? 3 LEU A CG 1 +ATOM 1078 C CD1 . LEU B 2 3 ? 31.684 24.524 29.946 1.00 28.21 ? 3 LEU A CD1 1 +ATOM 1079 C CD2 . LEU B 2 3 ? 33.853 25.437 30.820 1.00 25.87 ? 3 LEU A CD2 1 +ATOM 1080 N N . ASN B 2 4 ? 34.288 27.745 26.050 1.00 49.59 ? 4 ASN A N 1 +ATOM 1081 C CA . ASN B 2 4 ? 35.084 27.872 24.836 1.00 50.92 ? 4 ASN A CA 1 +ATOM 1082 C C . ASN B 2 4 ? 36.263 28.787 25.151 1.00 51.97 ? 4 ASN A C 1 +ATOM 1083 O O . ASN B 2 4 ? 37.401 28.501 24.786 1.00 52.10 ? 4 ASN A O 1 +ATOM 1084 C CB . ASN B 2 4 ? 34.264 28.499 23.708 1.00 43.24 ? 4 ASN A CB 1 +ATOM 1085 C CG . ASN B 2 4 ? 33.113 27.628 23.263 1.00 42.88 ? 4 ASN A CG 1 +ATOM 1086 O OD1 . ASN B 2 4 ? 33.309 26.489 22.824 1.00 43.40 ? 4 ASN A OD1 1 +ATOM 1087 N ND2 . ASN B 2 4 ? 31.898 28.161 23.361 1.00 43.07 ? 4 ASN A ND2 1 +ATOM 1088 N N . ASP B 2 5 ? 35.977 29.889 25.839 1.00 42.30 ? 5 ASP A N 1 +ATOM 1089 C CA . ASP B 2 5 ? 37.004 30.863 26.197 1.00 44.21 ? 5 ASP A CA 1 +ATOM 1090 C C . ASP B 2 5 ? 37.900 30.346 27.316 1.00 44.70 ? 5 ASP A C 1 +ATOM 1091 O O . ASP B 2 5 ? 39.048 30.765 27.445 1.00 44.34 ? 5 ASP A O 1 +ATOM 1092 C CB . ASP B 2 5 ? 36.368 32.188 26.635 1.00 69.89 ? 5 ASP A CB 1 +ATOM 1093 C CG . ASP B 2 5 ? 35.348 32.712 25.638 1.00 71.24 ? 5 ASP A CG 1 +ATOM 1094 O OD1 . ASP B 2 5 ? 35.685 32.830 24.442 1.00 72.55 ? 5 ASP A OD1 1 +ATOM 1095 O OD2 . ASP B 2 5 ? 34.210 33.016 26.059 1.00 71.05 ? 5 ASP A OD2 1 +ATOM 1096 N N . PHE B 2 6 ? 37.369 29.444 28.135 1.00 42.48 ? 6 PHE A N 1 +ATOM 1097 C CA . PHE B 2 6 ? 38.152 28.881 29.223 1.00 42.71 ? 6 PHE A CA 1 +ATOM 1098 C C . PHE B 2 6 ? 39.086 27.852 28.607 1.00 44.47 ? 6 PHE A C 1 +ATOM 1099 O O . PHE B 2 6 ? 40.243 27.728 29.002 1.00 45.69 ? 6 PHE A O 1 +ATOM 1100 C CB . PHE B 2 6 ? 37.239 28.205 30.238 1.00 35.37 ? 6 PHE A CB 1 +ATOM 1101 C CG . PHE B 2 6 ? 37.900 27.929 31.550 1.00 33.21 ? 6 PHE A CG 1 +ATOM 1102 C CD1 . PHE B 2 6 ? 38.085 28.948 32.475 1.00 32.24 ? 6 PHE A CD1 1 +ATOM 1103 C CD2 . PHE B 2 6 ? 38.351 26.653 31.864 1.00 32.88 ? 6 PHE A CD2 1 +ATOM 1104 C CE1 . PHE B 2 6 ? 38.714 28.702 33.701 1.00 30.75 ? 6 PHE A CE1 1 +ATOM 1105 C CE2 . PHE B 2 6 ? 38.981 26.400 33.092 1.00 32.50 ? 6 PHE A CE2 1 +ATOM 1106 C CZ . PHE B 2 6 ? 39.161 27.430 34.009 1.00 30.12 ? 6 PHE A CZ 1 +ATOM 1107 N N . LEU B 2 7 ? 38.571 27.115 27.627 1.00 39.43 ? 7 LEU A N 1 +ATOM 1108 C CA . LEU B 2 7 ? 39.360 26.101 26.938 1.00 40.95 ? 7 LEU A CA 1 +ATOM 1109 C C . LEU B 2 7 ? 40.537 26.759 26.228 1.00 42.15 ? 7 LEU A C 1 +ATOM 1110 O O . LEU B 2 7 ? 41.606 26.164 26.117 1.00 40.78 ? 7 LEU A O 1 +ATOM 1111 C CB . LEU B 2 7 ? 38.497 25.347 25.916 1.00 30.83 ? 7 LEU A CB 1 +ATOM 1112 C CG . LEU B 2 7 ? 39.206 24.318 25.012 1.00 31.26 ? 7 LEU A CG 1 +ATOM 1113 C CD1 . LEU B 2 7 ? 39.849 23.224 25.861 1.00 30.97 ? 7 LEU A CD1 1 +ATOM 1114 C CD2 . LEU B 2 7 ? 38.215 23.705 24.028 1.00 29.29 ? 7 LEU A CD2 1 +ATOM 1115 N N . GLU B 2 8 ? 40.335 27.992 25.767 1.00 60.23 ? 8 GLU A N 1 +ATOM 1116 C CA . GLU B 2 8 ? 41.378 28.735 25.059 1.00 63.26 ? 8 GLU A CA 1 +ATOM 1117 C C . GLU B 2 8 ? 42.477 29.289 25.968 1.00 64.00 ? 8 GLU A C 1 +ATOM 1118 O O . GLU B 2 8 ? 43.259 30.153 25.559 1.00 63.39 ? 8 GLU A O 1 +ATOM 1119 C CB . GLU B 2 8 ? 40.758 29.883 24.253 1.00 107.30 ? 8 GLU A CB 1 +ATOM 1120 C CG . GLU B 2 8 ? 39.768 29.435 23.189 1.00 108.82 ? 8 GLU A CG 1 +ATOM 1121 C CD . GLU B 2 8 ? 40.325 28.338 22.304 1.00 110.42 ? 8 GLU A CD 1 +ATOM 1122 O OE1 . GLU B 2 8 ? 41.392 28.547 21.689 1.00 111.25 ? 8 GLU A OE1 1 +ATOM 1123 O OE2 . GLU B 2 8 ? 39.692 27.264 22.226 1.00 111.25 ? 8 GLU A OE2 1 +ATOM 1124 N N . GLN B 2 9 ? 42.532 28.797 27.202 1.00 63.46 ? 9 GLN A N 1 +ATOM 1125 C CA . GLN B 2 9 ? 43.553 29.234 28.143 1.00 64.77 ? 9 GLN A CA 1 +ATOM 1126 C C . GLN B 2 9 ? 44.129 28.043 28.906 1.00 65.47 ? 9 GLN A C 1 +ATOM 1127 O O . GLN B 2 9 ? 43.564 26.930 28.797 1.00 65.89 ? 9 GLN A O 1 +ATOM 1128 C CB . GLN B 2 9 ? 42.969 30.256 29.120 1.00 71.69 ? 9 GLN A CB 1 +ATOM 1129 C CG . GLN B 2 9 ? 42.505 31.538 28.449 1.00 73.47 ? 9 GLN A CG 1 +ATOM 1130 C CD . GLN B 2 9 ? 41.951 32.556 29.433 1.00 74.68 ? 9 GLN A CD 1 +ATOM 1131 O OE1 . GLN B 2 9 ? 40.986 32.285 30.151 1.00 73.97 ? 9 GLN A OE1 1 +ATOM 1132 N NE2 . GLN B 2 9 ? 42.560 33.740 29.467 1.00 75.62 ? 9 GLN A NE2 1 +ATOM 1133 N N . LYS B 2 43 ? 49.976 18.507 32.682 1.00 44.78 ? 23 LYS A N 1 +ATOM 1134 C CA . LYS B 2 43 ? 49.015 17.363 32.624 1.00 44.55 ? 23 LYS A CA 1 +ATOM 1135 C C . LYS B 2 43 ? 47.626 17.739 33.150 1.00 44.50 ? 23 LYS A C 1 +ATOM 1136 O O . LYS B 2 43 ? 46.606 17.396 32.545 1.00 44.77 ? 23 LYS A O 1 +ATOM 1137 C CB . LYS B 2 43 ? 49.569 16.169 33.413 1.00 35.39 ? 23 LYS A CB 1 +ATOM 1138 N N . VAL B 2 44 ? 47.581 18.431 34.284 1.00 41.08 ? 24 VAL A N 1 +ATOM 1139 C CA . VAL B 2 44 ? 46.303 18.845 34.844 1.00 39.48 ? 24 VAL A CA 1 +ATOM 1140 C C . VAL B 2 44 ? 45.550 19.557 33.729 1.00 38.83 ? 24 VAL A C 1 +ATOM 1141 O O . VAL B 2 44 ? 44.317 19.532 33.669 1.00 39.48 ? 24 VAL A O 1 +ATOM 1142 C CB . VAL B 2 44 ? 46.516 19.799 36.034 1.00 23.22 ? 24 VAL A CB 1 +ATOM 1143 N N . LEU B 2 45 ? 46.305 20.180 32.833 1.00 27.19 ? 25 LEU A N 1 +ATOM 1144 C CA . LEU B 2 45 ? 45.703 20.898 31.729 1.00 27.65 ? 25 LEU A CA 1 +ATOM 1145 C C . LEU B 2 45 ? 45.166 19.950 30.660 1.00 28.07 ? 25 LEU A C 1 +ATOM 1146 O O . LEU B 2 45 ? 44.222 20.286 29.953 1.00 28.09 ? 25 LEU A O 1 +ATOM 1147 C CB . LEU B 2 45 ? 46.715 21.861 31.125 1.00 7.67 ? 25 LEU A CB 1 +ATOM 1148 N N . VAL B 2 46 ? 45.752 18.762 30.544 1.00 32.72 ? 26 VAL A N 1 +ATOM 1149 C CA . VAL B 2 46 ? 45.298 17.814 29.529 1.00 33.62 ? 26 VAL A CA 1 +ATOM 1150 C C . VAL B 2 46 ? 43.924 17.259 29.859 1.00 34.22 ? 26 VAL A C 1 +ATOM 1151 O O . VAL B 2 46 ? 43.050 17.202 28.998 1.00 34.68 ? 26 VAL A O 1 +ATOM 1152 C CB . VAL B 2 46 ? 46.298 16.667 29.374 1.00 22.63 ? 26 VAL A CB 1 +ATOM 1153 N N . ARG B 2 47 ? 43.738 16.848 31.107 1.00 32.71 ? 27 ARG A N 1 +ATOM 1154 C CA . ARG B 2 47 ? 42.467 16.287 31.533 1.00 33.12 ? 27 ARG A CA 1 +ATOM 1155 C C . ARG B 2 47 ? 41.377 17.334 31.398 1.00 33.79 ? 27 ARG A C 1 +ATOM 1156 O O . ARG B 2 47 ? 40.296 17.060 30.876 1.00 33.35 ? 27 ARG A O 1 +ATOM 1157 C CB . ARG B 2 47 ? 42.567 15.810 32.968 1.00 33.82 ? 27 ARG A CB 1 +HETATM 1158 N N . MSE B 2 48 ? 41.661 18.541 31.866 1.00 32.32 ? 28 MSE A N 1 +HETATM 1159 C CA . MSE B 2 48 ? 40.678 19.598 31.771 1.00 35.02 ? 28 MSE A CA 1 +HETATM 1160 C C . MSE B 2 48 ? 40.149 19.670 30.355 1.00 33.90 ? 28 MSE A C 1 +HETATM 1161 O O . MSE B 2 48 ? 38.939 19.644 30.141 1.00 34.96 ? 28 MSE A O 1 +HETATM 1162 C CB . MSE B 2 48 ? 41.287 20.926 32.180 1.00 65.49 ? 28 MSE A CB 1 +HETATM 1163 C CG . MSE B 2 48 ? 41.494 21.017 33.668 1.00 73.14 ? 28 MSE A CG 1 +HETATM 1164 SE SE . MSE B 2 48 ? 41.975 22.778 34.207 1.00 86.03 ? 28 MSE A SE 1 +HETATM 1165 C CE . MSE B 2 48 ? 40.671 23.769 33.194 1.00 80.09 ? 28 MSE A CE 1 +ATOM 1166 N N . GLU B 2 49 ? 41.051 19.749 29.384 1.00 29.38 ? 29 GLU A N 1 +ATOM 1167 C CA . GLU B 2 49 ? 40.627 19.795 27.996 1.00 26.89 ? 29 GLU A CA 1 +ATOM 1168 C C . GLU B 2 49 ? 39.742 18.582 27.757 1.00 24.80 ? 29 GLU A C 1 +ATOM 1169 O O . GLU B 2 49 ? 38.627 18.708 27.252 1.00 24.50 ? 29 GLU A O 1 +ATOM 1170 C CB . GLU B 2 49 ? 41.830 19.746 27.052 1.00 59.90 ? 29 GLU A CB 1 +ATOM 1171 C CG . GLU B 2 49 ? 42.718 20.979 27.092 1.00 62.82 ? 29 GLU A CG 1 +ATOM 1172 C CD . GLU B 2 49 ? 43.811 20.949 26.032 1.00 65.31 ? 29 GLU A CD 1 +ATOM 1173 O OE1 . GLU B 2 49 ? 43.470 20.857 24.830 1.00 67.37 ? 29 GLU A OE1 1 +ATOM 1174 O OE2 . GLU B 2 49 ? 45.007 21.018 26.400 1.00 63.70 ? 29 GLU A OE2 1 +ATOM 1175 N N . ALA B 2 50 ? 40.242 17.412 28.146 1.00 27.78 ? 30 ALA A N 1 +ATOM 1176 C CA . ALA B 2 50 ? 39.514 16.161 27.972 1.00 25.90 ? 30 ALA A CA 1 +ATOM 1177 C C . ALA B 2 50 ? 38.060 16.289 28.408 1.00 24.30 ? 30 ALA A C 1 +ATOM 1178 O O . ALA B 2 50 ? 37.163 15.795 27.730 1.00 24.50 ? 30 ALA A O 1 +ATOM 1179 C CB . ALA B 2 50 ? 40.197 15.046 28.746 1.00 44.16 ? 30 ALA A CB 1 +ATOM 1180 N N . ILE B 2 51 ? 37.821 16.957 29.530 1.00 23.20 ? 31 ILE A N 1 +ATOM 1181 C CA . ILE B 2 51 ? 36.453 17.134 30.008 1.00 22.26 ? 31 ILE A CA 1 +ATOM 1182 C C . ILE B 2 51 ? 35.673 18.048 29.074 1.00 22.08 ? 31 ILE A C 1 +ATOM 1183 O O . ILE B 2 51 ? 34.494 17.808 28.784 1.00 22.87 ? 31 ILE A O 1 +ATOM 1184 C CB . ILE B 2 51 ? 36.424 17.735 31.439 1.00 17.65 ? 31 ILE A CB 1 +ATOM 1185 C CG1 . ILE B 2 51 ? 36.887 16.679 32.441 1.00 19.31 ? 31 ILE A CG1 1 +ATOM 1186 C CG2 . ILE B 2 51 ? 35.022 18.210 31.804 1.00 14.60 ? 31 ILE A CG2 1 +ATOM 1187 C CD1 . ILE B 2 51 ? 37.106 17.214 33.826 1.00 18.42 ? 31 ILE A CD1 1 +ATOM 1188 N N . ILE B 2 52 ? 36.319 19.097 28.590 1.00 12.33 ? 32 ILE A N 1 +ATOM 1189 C CA . ILE B 2 52 ? 35.606 20.004 27.717 1.00 13.38 ? 32 ILE A CA 1 +ATOM 1190 C C . ILE B 2 52 ? 35.392 19.416 26.328 1.00 14.06 ? 32 ILE A C 1 +ATOM 1191 O O . ILE B 2 52 ? 34.412 19.734 25.662 1.00 12.64 ? 32 ILE A O 1 +ATOM 1192 C CB . ILE B 2 52 ? 36.325 21.352 27.606 1.00 19.64 ? 32 ILE A CB 1 +ATOM 1193 C CG1 . ILE B 2 52 ? 36.576 21.917 29.006 1.00 18.66 ? 32 ILE A CG1 1 +ATOM 1194 C CG2 . ILE B 2 52 ? 35.469 22.325 26.798 1.00 18.47 ? 32 ILE A CG2 1 +ATOM 1195 C CD1 . ILE B 2 52 ? 37.236 23.282 28.996 1.00 19.56 ? 32 ILE A CD1 1 +ATOM 1196 N N . ASN B 2 53 ? 36.295 18.547 25.889 1.00 21.21 ? 33 ASN A N 1 +ATOM 1197 C CA . ASN B 2 53 ? 36.137 17.937 24.577 1.00 22.05 ? 33 ASN A CA 1 +ATOM 1198 C C . ASN B 2 53 ? 35.017 16.900 24.550 1.00 22.20 ? 33 ASN A C 1 +ATOM 1199 O O . ASN B 2 53 ? 34.753 16.299 23.509 1.00 21.86 ? 33 ASN A O 1 +ATOM 1200 C CB . ASN B 2 53 ? 37.439 17.291 24.106 1.00 33.71 ? 33 ASN A CB 1 +ATOM 1201 C CG . ASN B 2 53 ? 38.501 18.310 23.771 1.00 34.95 ? 33 ASN A CG 1 +ATOM 1202 O OD1 . ASN B 2 53 ? 38.212 19.355 23.186 1.00 34.78 ? 33 ASN A OD1 1 +ATOM 1203 N ND2 . ASN B 2 53 ? 39.742 18.010 24.128 1.00 37.05 ? 33 ASN A ND2 1 +ATOM 1204 N N . SER B 2 54 ? 34.356 16.682 25.682 1.00 14.44 ? 34 SER A N 1 +ATOM 1205 C CA . SER B 2 54 ? 33.254 15.723 25.703 1.00 15.39 ? 34 SER A CA 1 +ATOM 1206 C C . SER B 2 54 ? 31.895 16.396 25.793 1.00 15.08 ? 34 SER A C 1 +ATOM 1207 O O . SER B 2 54 ? 30.858 15.733 25.766 1.00 12.90 ? 34 SER A O 1 +ATOM 1208 C CB . SER B 2 54 ? 33.406 14.736 26.859 1.00 32.91 ? 34 SER A CB 1 +ATOM 1209 O OG . SER B 2 54 ? 34.193 13.631 26.463 1.00 34.78 ? 34 SER A OG 1 +HETATM 1210 N N . MSE B 2 55 ? 31.897 17.716 25.899 1.00 17.67 ? 35 MSE A N 1 +HETATM 1211 C CA . MSE B 2 55 ? 30.642 18.444 25.989 1.00 19.60 ? 35 MSE A CA 1 +HETATM 1212 C C . MSE B 2 55 ? 30.151 18.807 24.600 1.00 18.27 ? 35 MSE A C 1 +HETATM 1213 O O . MSE B 2 55 ? 30.908 18.716 23.631 1.00 18.19 ? 35 MSE A O 1 +HETATM 1214 C CB . MSE B 2 55 ? 30.840 19.716 26.793 1.00 37.21 ? 35 MSE A CB 1 +HETATM 1215 C CG . MSE B 2 55 ? 31.434 19.491 28.144 1.00 42.76 ? 35 MSE A CG 1 +HETATM 1216 SE SE . MSE B 2 55 ? 31.829 21.197 28.898 1.00 53.70 ? 35 MSE A SE 1 +HETATM 1217 C CE . MSE B 2 55 ? 32.503 20.634 30.625 1.00 48.98 ? 35 MSE A CE 1 +ATOM 1218 N N . THR B 2 56 ? 28.885 19.203 24.509 1.00 15.62 ? 36 THR A N 1 +ATOM 1219 C CA . THR B 2 56 ? 28.298 19.612 23.239 1.00 15.84 ? 36 THR A CA 1 +ATOM 1220 C C . THR B 2 56 ? 28.535 21.103 23.116 1.00 17.53 ? 36 THR A C 1 +ATOM 1221 O O . THR B 2 56 ? 28.949 21.745 24.071 1.00 16.81 ? 36 THR A O 1 +ATOM 1222 C CB . THR B 2 56 ? 26.778 19.396 23.205 1.00 17.64 ? 36 THR A CB 1 +ATOM 1223 O OG1 . THR B 2 56 ? 26.161 20.195 24.226 1.00 17.03 ? 36 THR A OG1 1 +ATOM 1224 C CG2 . THR B 2 56 ? 26.437 17.940 23.416 1.00 16.57 ? 36 THR A CG2 1 +HETATM 1225 N N . MSE B 2 57 ? 28.259 21.666 21.951 1.00 26.17 ? 37 MSE A N 1 +HETATM 1226 C CA . MSE B 2 57 ? 28.459 23.095 21.788 1.00 30.00 ? 37 MSE A CA 1 +HETATM 1227 C C . MSE B 2 57 ? 27.594 23.844 22.792 1.00 27.56 ? 37 MSE A C 1 +HETATM 1228 O O . MSE B 2 57 ? 28.057 24.771 23.451 1.00 25.50 ? 37 MSE A O 1 +HETATM 1229 C CB . MSE B 2 57 ? 28.114 23.525 20.360 1.00 135.59 ? 37 MSE A CB 1 +HETATM 1230 C CG . MSE B 2 57 ? 29.122 23.059 19.313 1.00 148.42 ? 37 MSE A CG 1 +HETATM 1231 SE SE . MSE B 2 57 ? 30.911 23.762 19.606 1.00 167.67 ? 37 MSE A SE 1 +HETATM 1232 C CE . MSE B 2 57 ? 30.775 25.387 18.565 1.00 161.33 ? 37 MSE A CE 1 +ATOM 1233 N N . LYS B 2 58 ? 26.340 23.424 22.924 1.00 34.98 ? 38 LYS A N 1 +ATOM 1234 C CA . LYS B 2 58 ? 25.425 24.081 23.839 1.00 33.04 ? 38 LYS A CA 1 +ATOM 1235 C C . LYS B 2 58 ? 25.938 24.099 25.262 1.00 32.91 ? 38 LYS A C 1 +ATOM 1236 O O . LYS B 2 58 ? 25.769 25.091 25.971 1.00 34.45 ? 38 LYS A O 1 +ATOM 1237 C CB . LYS B 2 58 ? 24.061 23.405 23.815 1.00 20.66 ? 38 LYS A CB 1 +ATOM 1238 C CG . LYS B 2 58 ? 23.347 23.491 22.495 1.00 19.82 ? 38 LYS A CG 1 +ATOM 1239 C CD . LYS B 2 58 ? 21.956 22.895 22.603 1.00 19.79 ? 38 LYS A CD 1 +ATOM 1240 C CE . LYS B 2 58 ? 21.230 22.913 21.264 1.00 17.13 ? 38 LYS A CE 1 +ATOM 1241 N NZ . LYS B 2 58 ? 19.954 22.159 21.349 1.00 16.39 ? 38 LYS A NZ 1 +ATOM 1242 N N . GLU B 2 59 ? 26.559 23.004 25.687 1.00 22.09 ? 39 GLU A N 1 +ATOM 1243 C CA . GLU B 2 59 ? 27.069 22.927 27.050 1.00 20.43 ? 39 GLU A CA 1 +ATOM 1244 C C . GLU B 2 59 ? 28.208 23.917 27.264 1.00 19.45 ? 39 GLU A C 1 +ATOM 1245 O O . GLU B 2 59 ? 28.211 24.656 28.241 1.00 18.98 ? 39 GLU A O 1 +ATOM 1246 C CB . GLU B 2 59 ? 27.510 21.487 27.370 1.00 23.09 ? 39 GLU A CB 1 +ATOM 1247 C CG . GLU B 2 59 ? 26.367 20.475 27.233 1.00 22.55 ? 39 GLU A CG 1 +ATOM 1248 C CD . GLU B 2 59 ? 26.788 19.014 27.425 1.00 23.14 ? 39 GLU A CD 1 +ATOM 1249 O OE1 . GLU B 2 59 ? 27.840 18.603 26.890 1.00 22.05 ? 39 GLU A OE1 1 +ATOM 1250 O OE2 . GLU B 2 59 ? 26.046 18.266 28.096 1.00 22.74 ? 39 GLU A OE2 1 +ATOM 1251 N N . ARG B 2 60 ? 29.162 23.951 26.340 1.00 20.75 ? 40 ARG A N 1 +ATOM 1252 C CA . ARG B 2 60 ? 30.304 24.860 26.443 1.00 22.20 ? 40 ARG A CA 1 +ATOM 1253 C C . ARG B 2 60 ? 29.892 26.336 26.509 1.00 23.06 ? 40 ARG A C 1 +ATOM 1254 O O . ARG B 2 60 ? 30.417 27.108 27.314 1.00 22.77 ? 40 ARG A O 1 +ATOM 1255 C CB . ARG B 2 60 ? 31.241 24.647 25.257 1.00 21.53 ? 40 ARG A CB 1 +ATOM 1256 C CG . ARG B 2 60 ? 31.766 23.234 25.166 1.00 22.75 ? 40 ARG A CG 1 +ATOM 1257 C CD . ARG B 2 60 ? 32.620 23.019 23.932 1.00 22.64 ? 40 ARG A CD 1 +ATOM 1258 N NE . ARG B 2 60 ? 32.998 21.615 23.811 1.00 24.93 ? 40 ARG A NE 1 +ATOM 1259 C CZ . ARG B 2 60 ? 33.596 21.082 22.749 1.00 25.89 ? 40 ARG A CZ 1 +ATOM 1260 N NH1 . ARG B 2 60 ? 33.887 21.840 21.701 1.00 27.42 ? 40 ARG A NH1 1 +ATOM 1261 N NH2 . ARG B 2 60 ? 33.908 19.789 22.738 1.00 25.53 ? 40 ARG A NH2 1 +ATOM 1262 N N . ALA B 2 61 ? 28.933 26.707 25.671 1.00 39.30 ? 41 ALA A N 1 +ATOM 1263 C CA . ALA B 2 61 ? 28.442 28.074 25.603 1.00 40.95 ? 41 ALA A CA 1 +ATOM 1264 C C . ALA B 2 61 ? 27.559 28.479 26.773 1.00 40.72 ? 41 ALA A C 1 +ATOM 1265 O O . ALA B 2 61 ? 27.569 29.632 27.186 1.00 42.06 ? 41 ALA A O 1 +ATOM 1266 C CB . ALA B 2 61 ? 27.683 28.277 24.302 1.00 39.50 ? 41 ALA A CB 1 +ATOM 1267 N N . LYS B 2 62 ? 26.791 27.538 27.304 1.00 24.80 ? 42 LYS A N 1 +ATOM 1268 C CA . LYS B 2 62 ? 25.888 27.836 28.411 1.00 24.74 ? 42 LYS A CA 1 +ATOM 1269 C C . LYS B 2 62 ? 26.041 26.748 29.465 1.00 23.66 ? 42 LYS A C 1 +ATOM 1270 O O . LYS B 2 62 ? 25.138 25.942 29.674 1.00 23.31 ? 42 LYS A O 1 +ATOM 1271 C CB . LYS B 2 62 ? 24.455 27.892 27.875 1.00 37.23 ? 42 LYS A CB 1 +ATOM 1272 C CG . LYS B 2 62 ? 23.418 28.479 28.816 1.00 41.28 ? 42 LYS A CG 1 +ATOM 1273 C CD . LYS B 2 62 ? 22.124 28.796 28.045 1.00 42.90 ? 42 LYS A CD 1 +ATOM 1274 C CE . LYS B 2 62 ? 20.985 29.233 28.965 1.00 43.06 ? 42 LYS A CE 1 +ATOM 1275 N NZ . LYS B 2 62 ? 20.472 28.127 29.819 1.00 42.68 ? 42 LYS A NZ 1 +ATOM 1276 N N . PRO B 2 63 ? 27.196 26.728 30.152 1.00 25.62 ? 43 PRO A N 1 +ATOM 1277 C CA . PRO B 2 63 ? 27.607 25.789 31.207 1.00 24.24 ? 43 PRO A CA 1 +ATOM 1278 C C . PRO B 2 63 ? 26.593 25.493 32.296 1.00 23.53 ? 43 PRO A C 1 +ATOM 1279 O O . PRO B 2 63 ? 26.535 24.373 32.800 1.00 23.01 ? 43 PRO A O 1 +ATOM 1280 C CB . PRO B 2 63 ? 28.858 26.440 31.785 1.00 23.98 ? 43 PRO A CB 1 +ATOM 1281 C CG . PRO B 2 63 ? 29.418 27.177 30.623 1.00 26.18 ? 43 PRO A CG 1 +ATOM 1282 C CD . PRO B 2 63 ? 28.198 27.800 30.006 1.00 25.69 ? 43 PRO A CD 1 +ATOM 1283 N N . GLU B 2 64 ? 25.801 26.494 32.665 1.00 25.59 ? 44 GLU A N 1 +ATOM 1284 C CA . GLU B 2 64 ? 24.829 26.317 33.736 1.00 25.78 ? 44 GLU A CA 1 +ATOM 1285 C C . GLU B 2 64 ? 23.762 25.271 33.470 1.00 23.90 ? 44 GLU A C 1 +ATOM 1286 O O . GLU B 2 64 ? 22.957 24.975 34.352 1.00 24.83 ? 44 GLU A O 1 +ATOM 1287 C CB . GLU B 2 64 ? 24.170 27.657 34.109 1.00 33.56 ? 44 GLU A CB 1 +ATOM 1288 C CG . GLU B 2 64 ? 23.422 28.378 32.997 1.00 38.30 ? 44 GLU A CG 1 +ATOM 1289 C CD . GLU B 2 64 ? 24.304 29.307 32.179 1.00 42.50 ? 44 GLU A CD 1 +ATOM 1290 O OE1 . GLU B 2 64 ? 23.746 30.158 31.449 1.00 45.04 ? 44 GLU A OE1 1 +ATOM 1291 O OE2 . GLU B 2 64 ? 25.548 29.187 32.256 1.00 44.32 ? 44 GLU A OE2 1 +ATOM 1292 N N . ILE B 2 65 ? 23.753 24.704 32.268 1.00 19.71 ? 45 ILE A N 1 +ATOM 1293 C CA . ILE B 2 65 ? 22.765 23.681 31.938 1.00 17.86 ? 45 ILE A CA 1 +ATOM 1294 C C . ILE B 2 65 ? 23.307 22.305 32.293 1.00 17.46 ? 45 ILE A C 1 +ATOM 1295 O O . ILE B 2 65 ? 22.576 21.319 32.241 1.00 17.82 ? 45 ILE A O 1 +ATOM 1296 C CB . ILE B 2 65 ? 22.422 23.635 30.429 1.00 20.72 ? 45 ILE A CB 1 +ATOM 1297 C CG1 . ILE B 2 65 ? 23.677 23.269 29.625 1.00 22.43 ? 45 ILE A CG1 1 +ATOM 1298 C CG2 . ILE B 2 65 ? 21.846 24.950 29.967 1.00 18.76 ? 45 ILE A CG2 1 +ATOM 1299 C CD1 . ILE B 2 65 ? 23.390 22.912 28.167 1.00 21.96 ? 45 ILE A CD1 1 +ATOM 1300 N N . ILE B 2 66 ? 24.588 22.238 32.634 1.00 18.38 ? 46 ILE A N 1 +ATOM 1301 C CA . ILE B 2 66 ? 25.204 20.965 32.965 1.00 18.93 ? 46 ILE A CA 1 +ATOM 1302 C C . ILE B 2 66 ? 24.867 20.513 34.375 1.00 19.05 ? 46 ILE A C 1 +ATOM 1303 O O . ILE B 2 66 ? 25.442 20.995 35.344 1.00 19.95 ? 46 ILE A O 1 +ATOM 1304 C CB . ILE B 2 66 ? 26.730 21.021 32.807 1.00 23.29 ? 46 ILE A CB 1 +ATOM 1305 C CG1 . ILE B 2 66 ? 27.083 21.477 31.392 1.00 24.12 ? 46 ILE A CG1 1 +ATOM 1306 C CG2 . ILE B 2 66 ? 27.325 19.629 33.011 1.00 26.00 ? 46 ILE A CG2 1 +ATOM 1307 C CD1 . ILE B 2 66 ? 28.553 21.729 31.176 1.00 22.78 ? 46 ILE A CD1 1 +ATOM 1308 N N . LYS B 2 67 ? 23.925 19.573 34.464 1.00 13.02 ? 47 LYS A N 1 +ATOM 1309 C CA . LYS B 2 67 ? 23.465 19.011 35.722 1.00 11.30 ? 47 LYS A CA 1 +ATOM 1310 C C . LYS B 2 67 ? 23.810 17.504 35.820 1.00 10.90 ? 47 LYS A C 1 +ATOM 1311 O O . LYS B 2 67 ? 24.655 17.000 35.087 1.00 9.71 ? 47 LYS A O 1 +ATOM 1312 C CB . LYS B 2 67 ? 21.959 19.225 35.840 1.00 18.62 ? 47 LYS A CB 1 +ATOM 1313 C CG . LYS B 2 67 ? 21.557 20.694 35.814 1.00 20.27 ? 47 LYS A CG 1 +ATOM 1314 C CD . LYS B 2 67 ? 21.857 21.382 37.140 1.00 22.75 ? 47 LYS A CD 1 +ATOM 1315 C CE . LYS B 2 67 ? 21.724 22.885 37.045 1.00 22.66 ? 47 LYS A CE 1 +ATOM 1316 N NZ . LYS B 2 67 ? 20.411 23.280 36.499 1.00 24.44 ? 47 LYS A NZ 1 +ATOM 1317 N N . GLY B 2 68 ? 23.143 16.800 36.726 1.00 15.59 ? 48 GLY A N 1 +ATOM 1318 C CA . GLY B 2 68 ? 23.407 15.388 36.943 1.00 14.82 ? 48 GLY A CA 1 +ATOM 1319 C C . GLY B 2 68 ? 23.679 14.490 35.756 1.00 15.64 ? 48 GLY A C 1 +ATOM 1320 O O . GLY B 2 68 ? 24.773 13.953 35.616 1.00 16.93 ? 48 GLY A O 1 +ATOM 1321 N N . SER B 2 69 ? 22.683 14.332 34.894 1.00 19.67 ? 49 SER A N 1 +ATOM 1322 C CA . SER B 2 69 ? 22.785 13.453 33.739 1.00 20.27 ? 49 SER A CA 1 +ATOM 1323 C C . SER B 2 69 ? 23.906 13.788 32.754 1.00 22.53 ? 49 SER A C 1 +ATOM 1324 O O . SER B 2 69 ? 24.563 12.886 32.228 1.00 24.11 ? 49 SER A O 1 +ATOM 1325 C CB . SER B 2 69 ? 21.438 13.422 33.026 1.00 18.90 ? 49 SER A CB 1 +ATOM 1326 O OG . SER B 2 69 ? 21.428 12.509 31.947 1.00 20.95 ? 49 SER A OG 1 +ATOM 1327 N N . ARG B 2 70 ? 24.134 15.073 32.497 1.00 20.93 ? 50 ARG A N 1 +ATOM 1328 C CA . ARG B 2 70 ? 25.188 15.471 31.570 1.00 19.40 ? 50 ARG A CA 1 +ATOM 1329 C C . ARG B 2 70 ? 26.578 15.305 32.191 1.00 19.75 ? 50 ARG A C 1 +ATOM 1330 O O . ARG B 2 70 ? 27.480 14.758 31.549 1.00 19.84 ? 50 ARG A O 1 +ATOM 1331 C CB . ARG B 2 70 ? 24.977 16.918 31.099 1.00 18.40 ? 50 ARG A CB 1 +ATOM 1332 C CG . ARG B 2 70 ? 23.751 17.142 30.200 1.00 14.82 ? 50 ARG A CG 1 +ATOM 1333 C CD . ARG B 2 70 ? 23.526 18.637 30.006 1.00 14.93 ? 50 ARG A CD 1 +ATOM 1334 N NE . ARG B 2 70 ? 22.258 18.962 29.346 1.00 13.93 ? 50 ARG A NE 1 +ATOM 1335 C CZ . ARG B 2 70 ? 22.137 19.291 28.063 1.00 9.51 ? 50 ARG A CZ 1 +ATOM 1336 N NH1 . ARG B 2 70 ? 23.206 19.345 27.287 1.00 9.56 ? 50 ARG A NH1 1 +ATOM 1337 N NH2 . ARG B 2 70 ? 20.942 19.562 27.560 1.00 9.30 ? 50 ARG A NH2 1 +ATOM 1338 N N . LYS B 2 71 ? 26.758 15.771 33.427 1.00 21.43 ? 51 LYS A N 1 +ATOM 1339 C CA . LYS B 2 71 ? 28.052 15.630 34.102 1.00 20.84 ? 51 LYS A CA 1 +ATOM 1340 C C . LYS B 2 71 ? 28.474 14.179 33.948 1.00 21.14 ? 51 LYS A C 1 +ATOM 1341 O O . LYS B 2 71 ? 29.618 13.876 33.618 1.00 21.72 ? 51 LYS A O 1 +ATOM 1342 C CB . LYS B 2 71 ? 27.945 15.932 35.600 1.00 17.36 ? 51 LYS A CB 1 +ATOM 1343 C CG . LYS B 2 71 ? 27.651 17.369 35.982 1.00 17.85 ? 51 LYS A CG 1 +ATOM 1344 C CD . LYS B 2 71 ? 27.568 17.505 37.498 1.00 17.92 ? 51 LYS A CD 1 +ATOM 1345 C CE . LYS B 2 71 ? 27.226 18.940 37.915 1.00 20.63 ? 51 LYS A CE 1 +ATOM 1346 N NZ . LYS B 2 71 ? 27.187 19.142 39.395 1.00 19.57 ? 51 LYS A NZ 1 +ATOM 1347 N N . ARG B 2 72 ? 27.528 13.284 34.194 1.00 17.51 ? 52 ARG A N 1 +ATOM 1348 C CA . ARG B 2 72 ? 27.785 11.861 34.091 1.00 18.84 ? 52 ARG A CA 1 +ATOM 1349 C C . ARG B 2 72 ? 28.146 11.492 32.666 1.00 18.23 ? 52 ARG A C 1 +ATOM 1350 O O . ARG B 2 72 ? 29.087 10.727 32.438 1.00 19.84 ? 52 ARG A O 1 +ATOM 1351 C CB . ARG B 2 72 ? 26.563 11.055 34.554 1.00 21.85 ? 52 ARG A CB 1 +ATOM 1352 C CG . ARG B 2 72 ? 26.355 11.064 36.056 1.00 22.17 ? 52 ARG A CG 1 +ATOM 1353 C CD . ARG B 2 72 ? 25.213 10.161 36.478 1.00 24.74 ? 52 ARG A CD 1 +ATOM 1354 N NE . ARG B 2 72 ? 23.903 10.745 36.215 1.00 25.97 ? 52 ARG A NE 1 +ATOM 1355 C CZ . ARG B 2 72 ? 22.985 10.195 35.425 1.00 27.30 ? 52 ARG A CZ 1 +ATOM 1356 N NH1 . ARG B 2 72 ? 23.238 9.047 34.814 1.00 26.75 ? 52 ARG A NH1 1 +ATOM 1357 N NH2 . ARG B 2 72 ? 21.805 10.784 35.259 1.00 27.57 ? 52 ARG A NH2 1 +ATOM 1358 N N . ARG B 2 73 ? 27.419 12.036 31.699 1.00 15.13 ? 53 ARG A N 1 +ATOM 1359 C CA . ARG B 2 73 ? 27.744 11.718 30.319 1.00 14.69 ? 53 ARG A CA 1 +ATOM 1360 C C . ARG B 2 73 ? 29.139 12.235 30.030 1.00 13.43 ? 53 ARG A C 1 +ATOM 1361 O O . ARG B 2 73 ? 29.939 11.558 29.392 1.00 13.08 ? 53 ARG A O 1 +ATOM 1362 C CB . ARG B 2 73 ? 26.770 12.363 29.330 1.00 19.67 ? 53 ARG A CB 1 +ATOM 1363 C CG . ARG B 2 73 ? 26.930 11.802 27.905 1.00 19.69 ? 53 ARG A CG 1 +ATOM 1364 C CD . ARG B 2 73 ? 26.456 12.757 26.804 1.00 20.44 ? 53 ARG A CD 1 +ATOM 1365 N NE . ARG B 2 73 ? 27.455 13.775 26.451 1.00 19.35 ? 53 ARG A NE 1 +ATOM 1366 C CZ . ARG B 2 73 ? 27.394 15.051 26.823 1.00 17.45 ? 53 ARG A CZ 1 +ATOM 1367 N NH1 . ARG B 2 73 ? 26.390 15.488 27.563 1.00 16.09 ? 53 ARG A NH1 1 +ATOM 1368 N NH2 . ARG B 2 73 ? 28.333 15.893 26.446 1.00 18.97 ? 53 ARG A NH2 1 +ATOM 1369 N N . ILE B 2 74 ? 29.427 13.439 30.511 1.00 17.38 ? 54 ILE A N 1 +ATOM 1370 C CA . ILE B 2 74 ? 30.727 14.054 30.284 1.00 18.00 ? 54 ILE A CA 1 +ATOM 1371 C C . ILE B 2 74 ? 31.874 13.352 30.989 1.00 18.19 ? 54 ILE A C 1 +ATOM 1372 O O . ILE B 2 74 ? 32.954 13.211 30.426 1.00 19.62 ? 54 ILE A O 1 +ATOM 1373 C CB . ILE B 2 74 ? 30.728 15.541 30.704 1.00 9.21 ? 54 ILE A CB 1 +ATOM 1374 C CG1 . ILE B 2 74 ? 29.671 16.305 29.889 1.00 8.66 ? 54 ILE A CG1 1 +ATOM 1375 C CG2 . ILE B 2 74 ? 32.131 16.142 30.488 1.00 6.21 ? 54 ILE A CG2 1 +ATOM 1376 C CD1 . ILE B 2 74 ? 29.421 17.707 30.370 1.00 9.94 ? 54 ILE A CD1 1 +ATOM 1377 N N . ALA B 2 75 ? 31.651 12.917 32.221 1.00 19.13 ? 55 ALA A N 1 +ATOM 1378 C CA . ALA B 2 75 ? 32.706 12.231 32.957 1.00 18.58 ? 55 ALA A CA 1 +ATOM 1379 C C . ALA B 2 75 ? 33.071 10.900 32.294 1.00 18.03 ? 55 ALA A C 1 +ATOM 1380 O O . ALA B 2 75 ? 34.230 10.660 31.982 1.00 17.50 ? 55 ALA A O 1 +ATOM 1381 C CB . ALA B 2 75 ? 32.273 12.003 34.397 1.00 3.42 ? 55 ALA A CB 1 +ATOM 1382 N N . ALA B 2 76 ? 32.088 10.038 32.072 1.00 12.54 ? 56 ALA A N 1 +ATOM 1383 C CA . ALA B 2 76 ? 32.388 8.754 31.444 1.00 14.22 ? 56 ALA A CA 1 +ATOM 1384 C C . ALA B 2 76 ? 32.991 8.976 30.069 1.00 14.14 ? 56 ALA A C 1 +ATOM 1385 O O . ALA B 2 76 ? 33.940 8.302 29.673 1.00 14.08 ? 56 ALA A O 1 +ATOM 1386 C CB . ALA B 2 76 ? 31.118 7.891 31.319 1.00 7.47 ? 56 ALA A CB 1 +ATOM 1387 N N . GLY B 2 77 ? 32.444 9.937 29.342 1.00 15.20 ? 57 GLY A N 1 +ATOM 1388 C CA . GLY B 2 77 ? 32.943 10.196 28.002 1.00 17.03 ? 57 GLY A CA 1 +ATOM 1389 C C . GLY B 2 77 ? 34.371 10.697 27.938 1.00 17.23 ? 57 GLY A C 1 +ATOM 1390 O O . GLY B 2 77 ? 35.003 10.647 26.877 1.00 16.61 ? 57 GLY A O 1 +ATOM 1391 N N . SER B 2 78 ? 34.880 11.179 29.070 1.00 19.04 ? 58 SER A N 1 +ATOM 1392 C CA . SER B 2 78 ? 36.240 11.692 29.131 1.00 19.48 ? 58 SER A CA 1 +ATOM 1393 C C . SER B 2 78 ? 37.131 10.864 30.077 1.00 21.13 ? 58 SER A C 1 +ATOM 1394 O O . SER B 2 78 ? 38.266 11.254 30.378 1.00 20.45 ? 58 SER A O 1 +ATOM 1395 C CB . SER B 2 78 ? 36.210 13.140 29.593 1.00 10.41 ? 58 SER A CB 1 +ATOM 1396 O OG . SER B 2 78 ? 35.846 13.194 30.960 1.00 10.70 ? 58 SER A OG 1 +ATOM 1397 N N . GLY B 2 79 ? 36.612 9.728 30.539 1.00 18.08 ? 59 GLY A N 1 +ATOM 1398 C CA . GLY B 2 79 ? 37.366 8.869 31.439 1.00 20.75 ? 59 GLY A CA 1 +ATOM 1399 C C . GLY B 2 79 ? 37.651 9.540 32.770 1.00 23.67 ? 59 GLY A C 1 +ATOM 1400 O O . GLY B 2 79 ? 38.672 9.274 33.415 1.00 23.63 ? 59 GLY A O 1 +HETATM 1401 N N . MSE B 2 80 ? 36.737 10.410 33.185 1.00 22.46 ? 60 MSE A N 1 +HETATM 1402 C CA . MSE B 2 80 ? 36.890 11.156 34.424 1.00 24.98 ? 60 MSE A CA 1 +HETATM 1403 C C . MSE B 2 80 ? 35.755 10.848 35.375 1.00 24.50 ? 60 MSE A C 1 +HETATM 1404 O O . MSE B 2 80 ? 34.755 10.241 35.000 1.00 24.24 ? 60 MSE A O 1 +HETATM 1405 C CB . MSE B 2 80 ? 36.876 12.658 34.136 1.00 50.21 ? 60 MSE A CB 1 +HETATM 1406 C CG . MSE B 2 80 ? 37.942 13.134 33.186 1.00 57.06 ? 60 MSE A CG 1 +HETATM 1407 SE SE . MSE B 2 80 ? 39.683 13.005 33.983 1.00 70.58 ? 60 MSE A SE 1 +HETATM 1408 C CE . MSE B 2 80 ? 40.402 11.570 32.906 1.00 64.95 ? 60 MSE A CE 1 +ATOM 1409 N N . GLN B 2 81 ? 35.908 11.297 36.610 1.00 31.02 ? 61 GLN A N 1 +ATOM 1410 C CA . GLN B 2 81 ? 34.885 11.098 37.612 1.00 30.06 ? 61 GLN A CA 1 +ATOM 1411 C C . GLN B 2 81 ? 34.018 12.364 37.631 1.00 28.48 ? 61 GLN A C 1 +ATOM 1412 O O . GLN B 2 81 ? 34.475 13.456 37.285 1.00 26.37 ? 61 GLN A O 1 +ATOM 1413 C CB . GLN B 2 81 ? 35.537 10.867 38.980 1.00 38.15 ? 61 GLN A CB 1 +ATOM 1414 C CG . GLN B 2 81 ? 36.642 9.810 38.976 1.00 40.56 ? 61 GLN A CG 1 +ATOM 1415 C CD . GLN B 2 81 ? 36.131 8.400 38.706 1.00 42.19 ? 61 GLN A CD 1 +ATOM 1416 O OE1 . GLN B 2 81 ? 35.409 8.162 37.740 1.00 42.69 ? 61 GLN A OE1 1 +ATOM 1417 N NE2 . GLN B 2 81 ? 36.518 7.457 39.559 1.00 42.62 ? 61 GLN A NE2 1 +ATOM 1418 N N . VAL B 2 82 ? 32.762 12.205 38.024 1.00 24.89 ? 62 VAL A N 1 +ATOM 1419 C CA . VAL B 2 82 ? 31.842 13.322 38.091 1.00 23.54 ? 62 VAL A CA 1 +ATOM 1420 C C . VAL B 2 82 ? 32.438 14.456 38.909 1.00 24.03 ? 62 VAL A C 1 +ATOM 1421 O O . VAL B 2 82 ? 32.379 15.617 38.503 1.00 24.42 ? 62 VAL A O 1 +ATOM 1422 C CB . VAL B 2 82 ? 30.501 12.867 38.680 1.00 18.13 ? 62 VAL A CB 1 +ATOM 1423 C CG1 . VAL B 2 82 ? 29.583 14.046 38.900 1.00 16.29 ? 62 VAL A CG1 1 +ATOM 1424 C CG2 . VAL B 2 82 ? 29.847 11.861 37.718 1.00 17.91 ? 62 VAL A CG2 1 +ATOM 1425 N N . GLN B 2 83 ? 33.043 14.126 40.045 1.00 26.64 ? 63 GLN A N 1 +ATOM 1426 C CA . GLN B 2 83 ? 33.653 15.154 40.878 1.00 27.36 ? 63 GLN A CA 1 +ATOM 1427 C C . GLN B 2 83 ? 34.771 15.855 40.118 1.00 26.21 ? 63 GLN A C 1 +ATOM 1428 O O . GLN B 2 83 ? 35.094 16.994 40.419 1.00 27.25 ? 63 GLN A O 1 +ATOM 1429 C CB . GLN B 2 83 ? 34.201 14.550 42.165 1.00 51.13 ? 63 GLN A CB 1 +ATOM 1430 C CG . GLN B 2 83 ? 35.445 13.726 41.979 1.00 54.88 ? 63 GLN A CG 1 +ATOM 1431 C CD . GLN B 2 83 ? 35.769 12.918 43.210 1.00 57.89 ? 63 GLN A CD 1 +ATOM 1432 O OE1 . GLN B 2 83 ? 35.633 13.403 44.337 1.00 59.02 ? 63 GLN A OE1 1 +ATOM 1433 N NE2 . GLN B 2 83 ? 36.208 11.677 43.006 1.00 58.27 ? 63 GLN A NE2 1 +ATOM 1434 N N . ASP B 2 84 ? 35.372 15.177 39.143 1.00 23.65 ? 64 ASP A N 1 +ATOM 1435 C CA . ASP B 2 84 ? 36.422 15.803 38.344 1.00 22.69 ? 64 ASP A CA 1 +ATOM 1436 C C . ASP B 2 84 ? 35.752 16.914 37.535 1.00 22.35 ? 64 ASP A C 1 +ATOM 1437 O O . ASP B 2 84 ? 36.268 18.025 37.418 1.00 21.80 ? 64 ASP A O 1 +ATOM 1438 C CB . ASP B 2 84 ? 37.055 14.807 37.368 1.00 30.98 ? 64 ASP A CB 1 +ATOM 1439 C CG . ASP B 2 84 ? 38.060 13.870 38.032 1.00 32.16 ? 64 ASP A CG 1 +ATOM 1440 O OD1 . ASP B 2 84 ? 38.984 14.360 38.720 1.00 31.57 ? 64 ASP A OD1 1 +ATOM 1441 O OD2 . ASP B 2 84 ? 37.938 12.638 37.843 1.00 31.54 ? 64 ASP A OD2 1 +ATOM 1442 N N . VAL B 2 85 ? 34.582 16.602 36.991 1.00 26.50 ? 65 VAL A N 1 +ATOM 1443 C CA . VAL B 2 85 ? 33.844 17.557 36.193 1.00 25.10 ? 65 VAL A CA 1 +ATOM 1444 C C . VAL B 2 85 ? 33.338 18.702 37.055 1.00 26.62 ? 65 VAL A C 1 +ATOM 1445 O O . VAL B 2 85 ? 33.265 19.853 36.603 1.00 26.25 ? 65 VAL A O 1 +ATOM 1446 C CB . VAL B 2 85 ? 32.649 16.895 35.515 1.00 8.80 ? 65 VAL A CB 1 +ATOM 1447 C CG1 . VAL B 2 85 ? 32.005 17.871 34.554 1.00 7.04 ? 65 VAL A CG1 1 +ATOM 1448 C CG2 . VAL B 2 85 ? 33.092 15.641 34.776 1.00 5.31 ? 65 VAL A CG2 1 +ATOM 1449 N N . ASN B 2 86 ? 32.986 18.388 38.298 1.00 31.48 ? 66 ASN A N 1 +ATOM 1450 C CA . ASN B 2 86 ? 32.493 19.413 39.206 1.00 31.84 ? 66 ASN A CA 1 +ATOM 1451 C C . ASN B 2 86 ? 33.603 20.427 39.489 1.00 32.08 ? 66 ASN A C 1 +ATOM 1452 O O . ASN B 2 86 ? 33.360 21.633 39.504 1.00 33.54 ? 66 ASN A O 1 +ATOM 1453 C CB . ASN B 2 86 ? 31.992 18.804 40.528 1.00 19.73 ? 66 ASN A CB 1 +ATOM 1454 C CG . ASN B 2 86 ? 30.716 17.969 40.365 1.00 20.76 ? 66 ASN A CG 1 +ATOM 1455 O OD1 . ASN B 2 86 ? 29.831 18.292 39.570 1.00 19.85 ? 66 ASN A OD1 1 +ATOM 1456 N ND2 . ASN B 2 86 ? 30.608 16.902 41.152 1.00 19.73 ? 66 ASN A ND2 1 +ATOM 1457 N N . ARG B 2 87 ? 34.824 19.950 39.697 1.00 24.40 ? 67 ARG A N 1 +ATOM 1458 C CA . ARG B 2 87 ? 35.923 20.867 39.977 1.00 25.68 ? 67 ARG A CA 1 +ATOM 1459 C C . ARG B 2 87 ? 36.181 21.754 38.760 1.00 26.37 ? 67 ARG A C 1 +ATOM 1460 O O . ARG B 2 87 ? 36.383 22.971 38.887 1.00 26.37 ? 67 ARG A O 1 +ATOM 1461 C CB . ARG B 2 87 ? 37.186 20.091 40.347 1.00 35.82 ? 67 ARG A CB 1 +ATOM 1462 N N . LEU B 2 88 ? 36.161 21.135 37.583 1.00 24.90 ? 68 LEU A N 1 +ATOM 1463 C CA . LEU B 2 88 ? 36.385 21.846 36.333 1.00 23.95 ? 68 LEU A CA 1 +ATOM 1464 C C . LEU B 2 88 ? 35.399 22.995 36.205 1.00 23.74 ? 68 LEU A C 1 +ATOM 1465 O O . LEU B 2 88 ? 35.785 24.132 35.939 1.00 23.55 ? 68 LEU A O 1 +ATOM 1466 C CB . LEU B 2 88 ? 36.221 20.886 35.145 1.00 22.32 ? 68 LEU A CB 1 +ATOM 1467 C CG . LEU B 2 88 ? 36.483 21.426 33.725 1.00 21.13 ? 68 LEU A CG 1 +ATOM 1468 C CD1 . LEU B 2 88 ? 35.338 22.307 33.249 1.00 19.63 ? 68 LEU A CD1 1 +ATOM 1469 C CD2 . LEU B 2 88 ? 37.781 22.206 33.739 1.00 22.00 ? 68 LEU A CD2 1 +ATOM 1470 N N . LEU B 2 89 ? 34.121 22.688 36.388 1.00 24.19 ? 69 LEU A N 1 +ATOM 1471 C CA . LEU B 2 89 ? 33.076 23.696 36.279 1.00 24.97 ? 69 LEU A CA 1 +ATOM 1472 C C . LEU B 2 89 ? 33.244 24.804 37.311 1.00 26.12 ? 69 LEU A C 1 +ATOM 1473 O O . LEU B 2 89 ? 32.918 25.961 37.046 1.00 26.68 ? 69 LEU A O 1 +ATOM 1474 C CB . LEU B 2 89 ? 31.701 23.036 36.418 1.00 23.08 ? 69 LEU A CB 1 +ATOM 1475 C CG . LEU B 2 89 ? 31.363 22.073 35.271 1.00 21.16 ? 69 LEU A CG 1 +ATOM 1476 C CD1 . LEU B 2 89 ? 30.108 21.284 35.569 1.00 18.21 ? 69 LEU A CD1 1 +ATOM 1477 C CD2 . LEU B 2 89 ? 31.195 22.873 34.005 1.00 21.04 ? 69 LEU A CD2 1 +ATOM 1478 N N . LYS B 2 90 ? 33.753 24.451 38.486 1.00 24.30 ? 70 LYS A N 1 +ATOM 1479 C CA . LYS B 2 90 ? 33.974 25.431 39.537 1.00 25.21 ? 70 LYS A CA 1 +ATOM 1480 C C . LYS B 2 90 ? 35.095 26.382 39.136 1.00 25.89 ? 70 LYS A C 1 +ATOM 1481 O O . LYS B 2 90 ? 34.963 27.599 39.273 1.00 24.64 ? 70 LYS A O 1 +ATOM 1482 C CB . LYS B 2 90 ? 34.337 24.742 40.853 1.00 31.57 ? 70 LYS A CB 1 +ATOM 1483 C CG . LYS B 2 90 ? 34.711 25.705 41.975 1.00 33.12 ? 70 LYS A CG 1 +ATOM 1484 C CD . LYS B 2 90 ? 33.630 26.760 42.200 1.00 36.86 ? 70 LYS A CD 1 +ATOM 1485 C CE . LYS B 2 90 ? 33.865 27.562 43.485 1.00 37.50 ? 70 LYS A CE 1 +ATOM 1486 N NZ . LYS B 2 90 ? 35.206 28.216 43.521 1.00 38.38 ? 70 LYS A NZ 1 +ATOM 1487 N N . GLN B 2 91 ? 36.204 25.827 38.655 1.00 28.79 ? 71 GLN A N 1 +ATOM 1488 C CA . GLN B 2 91 ? 37.323 26.660 38.234 1.00 29.49 ? 71 GLN A CA 1 +ATOM 1489 C C . GLN B 2 91 ? 36.836 27.587 37.133 1.00 29.01 ? 71 GLN A C 1 +ATOM 1490 O O . GLN B 2 91 ? 37.228 28.744 37.078 1.00 29.35 ? 71 GLN A O 1 +ATOM 1491 C CB . GLN B 2 91 ? 38.482 25.802 37.736 1.00 40.21 ? 71 GLN A CB 1 +ATOM 1492 C CG . GLN B 2 91 ? 39.018 24.859 38.797 1.00 44.64 ? 71 GLN A CG 1 +ATOM 1493 C CD . GLN B 2 91 ? 40.156 23.988 38.297 1.00 46.86 ? 71 GLN A CD 1 +ATOM 1494 O OE1 . GLN B 2 91 ? 40.057 23.367 37.237 1.00 49.12 ? 71 GLN A OE1 1 +ATOM 1495 N NE2 . GLN B 2 91 ? 41.240 23.928 39.065 1.00 47.98 ? 71 GLN A NE2 1 +ATOM 1496 N N . PHE B 2 92 ? 35.961 27.089 36.265 1.00 24.86 ? 72 PHE A N 1 +ATOM 1497 C CA . PHE B 2 92 ? 35.436 27.927 35.199 1.00 25.40 ? 72 PHE A CA 1 +ATOM 1498 C C . PHE B 2 92 ? 34.565 29.046 35.765 1.00 26.96 ? 72 PHE A C 1 +ATOM 1499 O O . PHE B 2 92 ? 34.675 30.205 35.359 1.00 26.13 ? 72 PHE A O 1 +ATOM 1500 C CB . PHE B 2 92 ? 34.595 27.122 34.230 1.00 22.07 ? 72 PHE A CB 1 +ATOM 1501 C CG . PHE B 2 92 ? 33.720 27.978 33.366 1.00 23.09 ? 72 PHE A CG 1 +ATOM 1502 C CD1 . PHE B 2 92 ? 34.282 28.866 32.455 1.00 22.06 ? 72 PHE A CD1 1 +ATOM 1503 C CD2 . PHE B 2 92 ? 32.338 27.953 33.512 1.00 23.29 ? 72 PHE A CD2 1 +ATOM 1504 C CE1 . PHE B 2 92 ? 33.487 29.715 31.708 1.00 21.26 ? 72 PHE A CE1 1 +ATOM 1505 C CE2 . PHE B 2 92 ? 31.533 28.800 32.767 1.00 22.59 ? 72 PHE A CE2 1 +ATOM 1506 C CZ . PHE B 2 92 ? 32.111 29.685 31.863 1.00 22.68 ? 72 PHE A CZ 1 +ATOM 1507 N N . ASP B 2 93 ? 33.679 28.671 36.683 1.00 25.64 ? 73 ASP A N 1 +ATOM 1508 C CA . ASP B 2 93 ? 32.765 29.597 37.342 1.00 27.41 ? 73 ASP A CA 1 +ATOM 1509 C C . ASP B 2 93 ? 33.561 30.775 37.901 1.00 27.76 ? 73 ASP A C 1 +ATOM 1510 O O . ASP B 2 93 ? 33.274 31.934 37.600 1.00 26.66 ? 73 ASP A O 1 +ATOM 1511 C CB . ASP B 2 93 ? 32.055 28.876 38.489 1.00 50.23 ? 73 ASP A CB 1 +ATOM 1512 C CG . ASP B 2 93 ? 30.554 29.081 38.479 1.00 52.09 ? 73 ASP A CG 1 +ATOM 1513 O OD1 . ASP B 2 93 ? 30.109 30.249 38.402 1.00 51.20 ? 73 ASP A OD1 1 +ATOM 1514 O OD2 . ASP B 2 93 ? 29.823 28.067 38.567 1.00 53.49 ? 73 ASP A OD2 1 +ATOM 1515 N N . ASP B 2 94 ? 34.565 30.456 38.715 1.00 27.60 ? 74 ASP A N 1 +ATOM 1516 C CA . ASP B 2 94 ? 35.431 31.453 39.334 1.00 29.85 ? 74 ASP A CA 1 +ATOM 1517 C C . ASP B 2 94 ? 35.897 32.473 38.296 1.00 31.84 ? 74 ASP A C 1 +ATOM 1518 O O . ASP B 2 94 ? 35.802 33.680 38.521 1.00 30.33 ? 74 ASP A O 1 +ATOM 1519 C CB . ASP B 2 94 ? 36.660 30.785 39.976 1.00 33.72 ? 74 ASP A CB 1 +ATOM 1520 C CG . ASP B 2 94 ? 36.314 29.920 41.198 1.00 34.11 ? 74 ASP A CG 1 +ATOM 1521 O OD1 . ASP B 2 94 ? 35.157 29.951 41.669 1.00 33.68 ? 74 ASP A OD1 1 +ATOM 1522 O OD2 . ASP B 2 94 ? 37.223 29.211 41.698 1.00 33.59 ? 74 ASP A OD2 1 +HETATM 1523 N N . MSE B 2 95 ? 36.396 31.986 37.160 1.00 34.81 ? 75 MSE A N 1 +HETATM 1524 C CA . MSE B 2 95 ? 36.872 32.869 36.099 1.00 37.94 ? 75 MSE A CA 1 +HETATM 1525 C C . MSE B 2 95 ? 35.742 33.651 35.447 1.00 36.53 ? 75 MSE A C 1 +HETATM 1526 O O . MSE B 2 95 ? 35.888 34.838 35.166 1.00 35.77 ? 75 MSE A O 1 +HETATM 1527 C CB . MSE B 2 95 ? 37.628 32.084 35.027 1.00 92.23 ? 75 MSE A CB 1 +HETATM 1528 C CG . MSE B 2 95 ? 38.080 32.963 33.869 1.00 101.30 ? 75 MSE A CG 1 +HETATM 1529 SE SE . MSE B 2 95 ? 39.405 32.158 32.728 1.00 115.42 ? 75 MSE A SE 1 +HETATM 1530 C CE . MSE B 2 95 ? 40.994 32.865 33.573 1.00 109.54 ? 75 MSE A CE 1 +ATOM 1531 N N . GLN B 2 96 ? 34.620 32.987 35.200 1.00 27.99 ? 76 GLN A N 1 +ATOM 1532 C CA . GLN B 2 96 ? 33.470 33.652 34.597 1.00 29.44 ? 76 GLN A CA 1 +ATOM 1533 C C . GLN B 2 96 ? 33.103 34.855 35.457 1.00 29.94 ? 76 GLN A C 1 +ATOM 1534 O O . GLN B 2 96 ? 32.678 35.880 34.937 1.00 29.74 ? 76 GLN A O 1 +ATOM 1535 C CB . GLN B 2 96 ? 32.281 32.691 34.501 1.00 51.77 ? 76 GLN A CB 1 +ATOM 1536 N N . ARG B 2 97 ? 33.272 34.718 36.774 1.00 25.98 ? 77 ARG A N 1 +ATOM 1537 C CA . ARG B 2 97 ? 32.986 35.792 37.728 1.00 27.17 ? 77 ARG A CA 1 +ATOM 1538 C C . ARG B 2 97 ? 33.945 36.949 37.476 1.00 28.23 ? 77 ARG A C 1 +ATOM 1539 O O . ARG B 2 97 ? 33.548 38.112 37.487 1.00 26.69 ? 77 ARG A O 1 +ATOM 1540 C CB . ARG B 2 97 ? 33.181 35.313 39.167 1.00 51.81 ? 77 ARG A CB 1 +ATOM 1541 C CG . ARG B 2 97 ? 32.035 34.533 39.787 1.00 53.23 ? 77 ARG A CG 1 +ATOM 1542 C CD . ARG B 2 97 ? 32.361 34.234 41.252 1.00 55.61 ? 77 ARG A CD 1 +ATOM 1543 N NE . ARG B 2 97 ? 31.252 33.616 41.970 1.00 59.70 ? 77 ARG A NE 1 +ATOM 1544 C CZ . ARG B 2 97 ? 30.680 32.464 41.622 1.00 62.52 ? 77 ARG A CZ 1 +ATOM 1545 N NH1 . ARG B 2 97 ? 31.117 31.800 40.558 1.00 63.84 ? 77 ARG A NH1 1 +ATOM 1546 N NH2 . ARG B 2 97 ? 29.669 31.974 42.336 1.00 62.72 ? 77 ARG A NH2 1 +HETATM 1547 N N . MSE B 2 98 ? 35.214 36.627 37.250 1.00 23.86 ? 78 MSE A N 1 +HETATM 1548 C CA . MSE B 2 98 ? 36.198 37.657 37.006 1.00 28.78 ? 78 MSE A CA 1 +HETATM 1549 C C . MSE B 2 98 ? 35.797 38.486 35.790 1.00 28.37 ? 78 MSE A C 1 +HETATM 1550 O O . MSE B 2 98 ? 35.778 39.714 35.860 1.00 26.02 ? 78 MSE A O 1 +HETATM 1551 C CB . MSE B 2 98 ? 37.581 37.028 36.842 1.00 174.37 ? 78 MSE A CB 1 +HETATM 1552 C CG . MSE B 2 98 ? 38.125 36.501 38.168 1.00 184.86 ? 78 MSE A CG 1 +HETATM 1553 SE SE . MSE B 2 98 ? 39.837 35.605 38.088 1.00 198.44 ? 78 MSE A SE 1 +HETATM 1554 C CE . MSE B 2 98 ? 39.265 33.800 38.479 1.00 195.32 ? 78 MSE A CE 1 +HETATM 1555 N N . MSE B 2 99 ? 35.434 37.824 34.695 1.00 22.14 ? 79 MSE A N 1 +HETATM 1556 C CA . MSE B 2 99 ? 35.035 38.533 33.488 1.00 23.84 ? 79 MSE A CA 1 +HETATM 1557 C C . MSE B 2 99 ? 33.774 39.378 33.744 1.00 24.39 ? 79 MSE A C 1 +HETATM 1558 O O . MSE B 2 99 ? 32.635 38.884 33.724 1.00 23.22 ? 79 MSE A O 1 +HETATM 1559 C CB . MSE B 2 99 ? 34.810 37.537 32.349 1.00 73.40 ? 79 MSE A CB 1 +HETATM 1560 C CG . MSE B 2 99 ? 35.887 36.442 32.231 1.00 76.68 ? 79 MSE A CG 1 +HETATM 1561 SE SE . MSE B 2 99 ? 37.756 37.026 32.235 1.00 81.54 ? 79 MSE A SE 1 +HETATM 1562 C CE . MSE B 2 99 ? 37.959 37.517 30.380 1.00 78.94 ? 79 MSE A CE 1 +ATOM 1563 N N . LYS B 2 100 ? 34.028 40.662 34.006 1.00 64.27 ? 80 LYS A N 1 +ATOM 1564 C CA . LYS B 2 100 ? 33.047 41.716 34.308 1.00 65.22 ? 80 LYS A CA 1 +ATOM 1565 C C . LYS B 2 100 ? 33.521 42.425 35.587 1.00 66.00 ? 80 LYS A C 1 +ATOM 1566 O O . LYS B 2 100 ? 33.265 43.613 35.788 1.00 64.82 ? 80 LYS A O 1 +ATOM 1567 C CB . LYS B 2 100 ? 31.633 41.144 34.496 1.00 0.00 ? 80 LYS A CB 1 +ATOM 1568 N N . LYS B 2 101 ? 34.220 41.680 36.443 1.00 120.62 ? 81 LYS A N 1 +ATOM 1569 C CA . LYS B 2 101 ? 34.777 42.229 37.680 1.00 122.95 ? 81 LYS A CA 1 +ATOM 1570 C C . LYS B 2 101 ? 36.275 41.901 37.753 1.00 126.03 ? 81 LYS A C 1 +ATOM 1571 O O . LYS B 2 101 ? 36.800 41.575 38.820 1.00 126.49 ? 81 LYS A O 1 +ATOM 1572 C CB . LYS B 2 101 ? 34.075 41.659 38.924 1.00 35.12 ? 81 LYS A CB 1 +ATOM 1573 C CG . LYS B 2 101 ? 34.278 42.544 40.171 1.00 34.18 ? 81 LYS A CG 1 +ATOM 1574 C CD . LYS B 2 101 ? 34.679 41.780 41.436 1.00 33.55 ? 81 LYS A CD 1 +ATOM 1575 C CE . LYS B 2 101 ? 33.498 41.023 42.060 1.00 33.93 ? 81 LYS A CE 1 +ATOM 1576 N NZ . LYS B 2 101 ? 33.835 40.292 43.329 1.00 32.48 ? 81 LYS A NZ 1 +HETATM 1577 N N . MSE B 2 102 ? 36.952 41.984 36.608 1.00 37.92 ? 82 MSE A N 1 +HETATM 1578 C CA . MSE B 2 102 ? 38.389 41.707 36.505 1.00 39.38 ? 82 MSE A CA 1 +HETATM 1579 C C . MSE B 2 102 ? 38.899 42.173 35.147 1.00 37.90 ? 82 MSE A C 1 +HETATM 1580 O O . MSE B 2 102 ? 39.305 41.316 34.340 1.00 37.01 ? 82 MSE A O 1 +HETATM 1581 O OXT . MSE B 2 102 ? 38.872 43.398 34.905 1.00 136.71 ? 82 MSE A OXT 1 +HETATM 1582 C CB . MSE B 2 102 ? 38.649 40.200 36.714 1.00 143.72 ? 82 MSE A CB 1 +HETATM 1583 C CG . MSE B 2 102 ? 39.983 39.623 36.183 1.00 150.18 ? 82 MSE A CG 1 +HETATM 1584 SE SE . MSE B 2 102 ? 41.650 40.407 36.804 1.00 157.42 ? 82 MSE A SE 1 +HETATM 1585 C CE . MSE B 2 102 ? 42.243 41.215 35.153 1.00 155.34 ? 82 MSE A CE 1 +HETATM 1586 CO CO . NCO C 3 . ? 16.880 14.324 6.889 0.95 32.83 ? 201 NCO B CO 1 +HETATM 1587 N N1 . NCO C 3 . ? 18.026 15.341 8.126 0.95 29.98 ? 201 NCO B N1 1 +HETATM 1588 N N2 . NCO C 3 . ? 15.737 13.307 5.652 0.95 30.35 ? 201 NCO B N2 1 +HETATM 1589 N N3 . NCO C 3 . ? 18.337 14.295 5.567 0.95 30.93 ? 201 NCO B N3 1 +HETATM 1590 N N4 . NCO C 3 . ? 15.427 14.354 8.210 0.95 31.08 ? 201 NCO B N4 1 +HETATM 1591 N N5 . NCO C 3 . ? 17.547 12.638 7.660 0.95 30.63 ? 201 NCO B N5 1 +HETATM 1592 N N6 . NCO C 3 . ? 16.210 16.011 6.119 0.95 31.18 ? 201 NCO B N6 1 +HETATM 1593 CO CO . NCO D 3 . ? 27.312 7.866 18.977 0.86 40.30 ? 202 NCO B CO 1 +HETATM 1594 N N1 . NCO D 3 . ? 26.797 9.571 18.145 0.86 38.87 ? 202 NCO B N1 1 +HETATM 1595 N N2 . NCO D 3 . ? 27.834 6.160 19.808 0.86 38.07 ? 202 NCO B N2 1 +HETATM 1596 N N3 . NCO D 3 . ? 26.963 8.633 20.760 0.86 38.51 ? 202 NCO B N3 1 +HETATM 1597 N N4 . NCO D 3 . ? 27.653 7.096 17.203 0.86 38.64 ? 202 NCO B N4 1 +HETATM 1598 N N5 . NCO D 3 . ? 25.447 7.248 18.883 0.86 38.43 ? 202 NCO B N5 1 +HETATM 1599 N N6 . NCO D 3 . ? 29.175 8.491 19.076 0.86 37.20 ? 202 NCO B N6 1 +HETATM 1600 CO CO . NCO E 3 . ? 42.770 6.830 21.125 1.00 46.43 ? 203 NCO B CO 1 +HETATM 1601 N N1 . NCO E 3 . ? 42.610 6.876 23.077 1.00 46.34 ? 203 NCO B N1 1 +HETATM 1602 N N2 . NCO E 3 . ? 42.928 6.784 19.169 1.00 46.76 ? 203 NCO B N2 1 +HETATM 1603 N N3 . NCO E 3 . ? 43.665 5.086 21.240 1.00 45.78 ? 203 NCO B N3 1 +HETATM 1604 N N4 . NCO E 3 . ? 41.876 8.572 21.011 1.00 45.83 ? 203 NCO B N4 1 +HETATM 1605 N N5 . NCO E 3 . ? 41.034 5.924 21.003 1.00 46.21 ? 203 NCO B N5 1 +HETATM 1606 N N6 . NCO E 3 . ? 44.508 7.734 21.244 1.00 45.67 ? 203 NCO B N6 1 +HETATM 1607 CO CO . NCO F 3 . ? 49.141 1.307 32.012 1.00 53.84 ? 204 NCO B CO 1 +HETATM 1608 N N1 . NCO F 3 . ? 48.264 2.142 33.552 1.00 51.85 ? 204 NCO B N1 1 +HETATM 1609 N N2 . NCO F 3 . ? 50.017 0.468 30.466 1.00 51.99 ? 204 NCO B N2 1 +HETATM 1610 N N3 . NCO F 3 . ? 49.229 -0.394 32.987 1.00 52.26 ? 204 NCO B N3 1 +HETATM 1611 N N4 . NCO F 3 . ? 49.053 3.004 31.036 1.00 52.02 ? 204 NCO B N4 1 +HETATM 1612 N N5 . NCO F 3 . ? 47.390 0.797 31.288 1.00 53.13 ? 204 NCO B N5 1 +HETATM 1613 N N6 . NCO F 3 . ? 50.894 1.816 32.736 1.00 52.41 ? 204 NCO B N6 1 +HETATM 1614 CO CO . NCO G 3 . ? 47.857 1.707 22.701 0.82 73.31 ? 205 NCO B CO 1 +HETATM 1615 N N1 . NCO G 3 . ? 47.086 3.309 21.867 0.82 72.27 ? 205 NCO B N1 1 +HETATM 1616 N N2 . NCO G 3 . ? 48.631 0.103 23.536 0.82 71.64 ? 205 NCO B N2 1 +HETATM 1617 N N3 . NCO G 3 . ? 46.126 1.318 23.551 0.82 71.51 ? 205 NCO B N3 1 +HETATM 1618 N N4 . NCO G 3 . ? 49.583 2.097 21.854 0.82 71.92 ? 205 NCO B N4 1 +HETATM 1619 N N5 . NCO G 3 . ? 47.331 0.637 21.138 0.82 71.49 ? 205 NCO B N5 1 +HETATM 1620 N N6 . NCO G 3 . ? 48.384 2.776 24.264 0.82 71.58 ? 205 NCO B N6 1 +HETATM 1621 CO CO . NCO H 3 . ? 34.535 0.379 18.138 0.92 61.49 ? 206 NCO B CO 1 +HETATM 1622 N N1 . NCO H 3 . ? 34.202 -0.007 20.033 0.92 60.69 ? 206 NCO B N1 1 +HETATM 1623 N N2 . NCO H 3 . ? 34.868 0.769 16.240 0.92 60.69 ? 206 NCO B N2 1 +HETATM 1624 N N3 . NCO H 3 . ? 35.676 -1.216 18.009 0.92 59.63 ? 206 NCO B N3 1 +HETATM 1625 N N4 . NCO H 3 . ? 33.396 1.974 18.264 0.92 60.86 ? 206 NCO B N4 1 +HETATM 1626 N N5 . NCO H 3 . ? 32.968 -0.698 17.641 0.92 59.61 ? 206 NCO B N5 1 +HETATM 1627 N N6 . NCO H 3 . ? 36.103 1.458 18.634 0.92 60.14 ? 206 NCO B N6 1 +HETATM 1628 CO CO . NCO I 3 . ? 6.333 14.123 1.880 0.98 50.49 ? 207 NCO B CO 1 +HETATM 1629 N N1 . NCO I 3 . ? 6.159 16.021 2.357 0.98 48.71 ? 207 NCO B N1 1 +HETATM 1630 N N2 . NCO I 3 . ? 6.511 12.225 1.402 0.98 48.81 ? 207 NCO B N2 1 +HETATM 1631 N N3 . NCO I 3 . ? 7.489 13.836 3.441 0.98 50.20 ? 207 NCO B N3 1 +HETATM 1632 N N4 . NCO I 3 . ? 5.175 14.407 0.323 0.98 50.02 ? 207 NCO B N4 1 +HETATM 1633 N N5 . NCO I 3 . ? 4.758 13.693 2.970 0.98 50.28 ? 207 NCO B N5 1 +HETATM 1634 N N6 . NCO I 3 . ? 7.909 14.550 0.791 0.98 50.52 ? 207 NCO B N6 1 +#