data_8YNP
# 
_entry.id   8YNP 
# 
_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   8YNP         pdb_00008ynp 10.2210/pdb8ynp/pdb 
WWPDB D_1300046012 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-01-22 
# 
_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             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YNP 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-11 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8YNO 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              j.kondo@sophia.ac.jp 
_pdbx_contact_author.name_first         Jiro 
_pdbx_contact_author.name_last          Kondo 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5682-3685 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kondo, J.' 1 ? 
'Abe, H.'   2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_id_ASTM           NARHAD 
_citation.journal_id_CSD            0389 
_citation.journal_id_ISSN           1362-4962 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            52 
_citation.language                  ? 
_citation.page_first                10754 
_citation.page_last                 10774 
_citation.title                     
;Synthesis of 2'-formamidonucleoside phosphoramidites for suppressing the seed-based off-target effects of siRNAs.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1093/nar/gkae741 
_citation.pdbx_database_id_PubMed   39231537 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nomura, K.'    1  ?                   
primary 'An, S.'        2  ?                   
primary 'Kobayashi, Y.' 3  ?                   
primary 'Kondo, J.'     4  0000-0002-5682-3685 
primary 'Shi, T.'       5  ?                   
primary 'Murase, H.'    6  ?                   
primary 'Nakamoto, K.'  7  ?                   
primary 'Kimura, Y.'    8  ?                   
primary 'Abe, N.'       9  ?                   
primary 'Ui-Tei, K.'    10 0000-0001-8695-9025 
primary 'Abe, H.'       11 0000-0003-0048-3789 
# 
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 
;RNA (5'-R(*GP*GP*AP*CP*(5BU)P*CP*GP*AP*GP*(HHX)P*CP*C)-3')
;
3947.284 2   ? ? ? ? 
2 water   nat water                                                        18.015   170 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       'GGAC(5BU)CGAG(HHX)CC' 
_entity_poly.pdbx_seq_one_letter_code_can   GGACUCGAGXCC 
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
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  A   n 
1 4  C   n 
1 5  5BU n 
1 6  C   n 
1 7  G   n 
1 8  A   n 
1 9  G   n 
1 10 HHX n 
1 11 C   n 
1 12 C   n 
# 
_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       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       12 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
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 
5BU 'RNA linking' n "5-BROMO-URIDINE-5'-MONOPHOSPHATE" ? 'C9 H12 Br N2 O9 P' 403.077 
A   'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P'   347.221 
C   'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P'    323.197 
G   'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P'   363.221 
HHX 'RNA linking' . 
;[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[methanoyl(methyl)amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
;
? 'C11 H16 N3 O9 P'   365.233 
HOH non-polymer   . WATER ? 'H2 O'              18.015  
# 
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  1  1  G   G   A . n 
A 1 2  G   2  2  2  G   G   A . n 
A 1 3  A   3  3  3  A   A   A . n 
A 1 4  C   4  4  4  C   C   A . n 
A 1 5  5BU 5  5  5  5BU 5BU A . n 
A 1 6  C   6  6  6  C   C   A . n 
A 1 7  G   7  7  7  G   G   A . n 
A 1 8  A   8  8  8  A   A   A . n 
A 1 9  G   9  9  9  G   G   A . n 
A 1 10 HHX 10 10 10 HHX HHX A . n 
A 1 11 C   11 11 11 C   C   A . n 
A 1 12 C   12 12 12 C   C   A . n 
B 1 1  G   1  1  1  G   G   B . n 
B 1 2  G   2  2  2  G   G   B . n 
B 1 3  A   3  3  3  A   A   B . n 
B 1 4  C   4  4  4  C   C   B . n 
B 1 5  5BU 5  5  5  5BU 5BU B . n 
B 1 6  C   6  6  6  C   C   B . n 
B 1 7  G   7  7  7  G   G   B . n 
B 1 8  A   8  8  8  A   A   B . n 
B 1 9  G   9  9  9  G   G   B . n 
B 1 10 HHX 10 10 10 HHX HHX B . n 
B 1 11 C   11 11 11 C   C   B . n 
B 1 12 C   12 12 12 C   C   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        HHX 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   HHX 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 HOH 1  101 101 HOH HOH A . 
C 2 HOH 2  102 102 HOH HOH A . 
C 2 HOH 3  103 103 HOH HOH A . 
C 2 HOH 4  104 104 HOH HOH A . 
C 2 HOH 5  105 105 HOH HOH A . 
C 2 HOH 6  106 106 HOH HOH A . 
C 2 HOH 7  107 107 HOH HOH A . 
C 2 HOH 8  108 108 HOH HOH A . 
C 2 HOH 9  109 109 HOH HOH A . 
C 2 HOH 10 110 110 HOH HOH A . 
C 2 HOH 11 111 111 HOH HOH A . 
C 2 HOH 12 112 112 HOH HOH A . 
C 2 HOH 13 113 113 HOH HOH A . 
C 2 HOH 14 114 114 HOH HOH A . 
C 2 HOH 15 115 115 HOH HOH A . 
C 2 HOH 16 116 116 HOH HOH A . 
C 2 HOH 17 117 117 HOH HOH A . 
C 2 HOH 18 118 118 HOH HOH A . 
C 2 HOH 19 119 119 HOH HOH A . 
C 2 HOH 20 120 120 HOH HOH A . 
C 2 HOH 21 121 121 HOH HOH A . 
C 2 HOH 22 122 122 HOH HOH A . 
C 2 HOH 23 123 123 HOH HOH A . 
C 2 HOH 24 124 124 HOH HOH A . 
C 2 HOH 25 125 125 HOH HOH A . 
C 2 HOH 26 126 126 HOH HOH A . 
C 2 HOH 27 127 127 HOH HOH A . 
C 2 HOH 28 128 128 HOH HOH A . 
C 2 HOH 29 129 129 HOH HOH A . 
C 2 HOH 30 130 130 HOH HOH A . 
C 2 HOH 31 131 131 HOH HOH A . 
C 2 HOH 32 132 132 HOH HOH A . 
C 2 HOH 33 133 133 HOH HOH A . 
C 2 HOH 34 134 134 HOH HOH A . 
C 2 HOH 35 135 136 HOH HOH A . 
C 2 HOH 36 136 135 HOH HOH A . 
C 2 HOH 37 137 137 HOH HOH A . 
C 2 HOH 38 138 138 HOH HOH A . 
C 2 HOH 39 139 139 HOH HOH A . 
C 2 HOH 40 140 140 HOH HOH A . 
C 2 HOH 41 141 141 HOH HOH A . 
C 2 HOH 42 142 142 HOH HOH A . 
C 2 HOH 43 143 143 HOH HOH A . 
C 2 HOH 44 144 144 HOH HOH A . 
C 2 HOH 45 145 145 HOH HOH A . 
C 2 HOH 46 146 146 HOH HOH A . 
C 2 HOH 47 147 147 HOH HOH A . 
C 2 HOH 48 148 148 HOH HOH A . 
C 2 HOH 49 149 149 HOH HOH A . 
C 2 HOH 50 150 150 HOH HOH A . 
C 2 HOH 51 151 151 HOH HOH A . 
C 2 HOH 52 152 152 HOH HOH A . 
C 2 HOH 53 153 153 HOH HOH A . 
C 2 HOH 54 154 154 HOH HOH A . 
C 2 HOH 55 155 155 HOH HOH A . 
C 2 HOH 56 156 156 HOH HOH A . 
C 2 HOH 57 157 157 HOH HOH A . 
C 2 HOH 58 158 158 HOH HOH A . 
C 2 HOH 59 159 159 HOH HOH A . 
C 2 HOH 60 160 160 HOH HOH A . 
C 2 HOH 61 161 161 HOH HOH A . 
C 2 HOH 62 162 162 HOH HOH A . 
C 2 HOH 63 163 163 HOH HOH A . 
C 2 HOH 64 164 164 HOH HOH A . 
C 2 HOH 65 165 165 HOH HOH A . 
C 2 HOH 66 166 166 HOH HOH A . 
C 2 HOH 67 167 167 HOH HOH A . 
C 2 HOH 68 168 168 HOH HOH A . 
C 2 HOH 69 169 169 HOH HOH A . 
C 2 HOH 70 170 170 HOH HOH A . 
C 2 HOH 71 171 171 HOH HOH A . 
C 2 HOH 72 172 172 HOH HOH A . 
C 2 HOH 73 173 173 HOH HOH A . 
C 2 HOH 74 174 174 HOH HOH A . 
C 2 HOH 75 175 175 HOH HOH A . 
C 2 HOH 76 176 176 HOH HOH A . 
C 2 HOH 77 177 177 HOH HOH A . 
C 2 HOH 78 178 178 HOH HOH A . 
C 2 HOH 79 179 179 HOH HOH A . 
C 2 HOH 80 180 180 HOH HOH A . 
C 2 HOH 81 181 181 HOH HOH A . 
C 2 HOH 82 182 182 HOH HOH A . 
C 2 HOH 83 183 183 HOH HOH A . 
D 2 HOH 1  101 101 HOH HOH B . 
D 2 HOH 2  102 102 HOH HOH B . 
D 2 HOH 3  103 103 HOH HOH B . 
D 2 HOH 4  104 104 HOH HOH B . 
D 2 HOH 5  105 105 HOH HOH B . 
D 2 HOH 6  106 106 HOH HOH B . 
D 2 HOH 7  107 107 HOH HOH B . 
D 2 HOH 8  108 108 HOH HOH B . 
D 2 HOH 9  109 109 HOH HOH B . 
D 2 HOH 10 110 110 HOH HOH B . 
D 2 HOH 11 111 111 HOH HOH B . 
D 2 HOH 12 112 112 HOH HOH B . 
D 2 HOH 13 113 113 HOH HOH B . 
D 2 HOH 14 114 114 HOH HOH B . 
D 2 HOH 15 115 115 HOH HOH B . 
D 2 HOH 16 116 116 HOH HOH B . 
D 2 HOH 17 117 117 HOH HOH B . 
D 2 HOH 18 118 118 HOH HOH B . 
D 2 HOH 19 119 119 HOH HOH B . 
D 2 HOH 20 120 120 HOH HOH B . 
D 2 HOH 21 121 121 HOH HOH B . 
D 2 HOH 22 122 122 HOH HOH B . 
D 2 HOH 23 123 123 HOH HOH B . 
D 2 HOH 24 124 124 HOH HOH B . 
D 2 HOH 25 125 125 HOH HOH B . 
D 2 HOH 26 126 126 HOH HOH B . 
D 2 HOH 27 127 127 HOH HOH B . 
D 2 HOH 28 128 128 HOH HOH B . 
D 2 HOH 29 129 129 HOH HOH B . 
D 2 HOH 30 130 130 HOH HOH B . 
D 2 HOH 31 131 131 HOH HOH B . 
D 2 HOH 32 132 132 HOH HOH B . 
D 2 HOH 33 133 133 HOH HOH B . 
D 2 HOH 34 134 134 HOH HOH B . 
D 2 HOH 35 135 135 HOH HOH B . 
D 2 HOH 36 136 136 HOH HOH B . 
D 2 HOH 37 137 137 HOH HOH B . 
D 2 HOH 38 138 138 HOH HOH B . 
D 2 HOH 39 139 139 HOH HOH B . 
D 2 HOH 40 140 140 HOH HOH B . 
D 2 HOH 41 141 141 HOH HOH B . 
D 2 HOH 42 142 142 HOH HOH B . 
D 2 HOH 43 143 143 HOH HOH B . 
D 2 HOH 44 144 144 HOH HOH B . 
D 2 HOH 45 145 145 HOH HOH B . 
D 2 HOH 46 146 146 HOH HOH B . 
D 2 HOH 47 147 147 HOH HOH B . 
D 2 HOH 48 148 148 HOH HOH B . 
D 2 HOH 49 149 149 HOH HOH B . 
D 2 HOH 50 150 150 HOH HOH B . 
D 2 HOH 51 151 151 HOH HOH B . 
D 2 HOH 52 152 152 HOH HOH B . 
D 2 HOH 53 153 153 HOH HOH B . 
D 2 HOH 54 154 154 HOH HOH B . 
D 2 HOH 55 155 155 HOH HOH B . 
D 2 HOH 56 156 156 HOH HOH B . 
D 2 HOH 57 157 157 HOH HOH B . 
D 2 HOH 58 158 158 HOH HOH B . 
D 2 HOH 59 159 159 HOH HOH B . 
D 2 HOH 60 160 160 HOH HOH B . 
D 2 HOH 61 161 161 HOH HOH B . 
D 2 HOH 62 162 162 HOH HOH B . 
D 2 HOH 63 163 163 HOH HOH B . 
D 2 HOH 64 164 164 HOH HOH B . 
D 2 HOH 65 165 165 HOH HOH B . 
D 2 HOH 66 166 166 HOH HOH B . 
D 2 HOH 67 167 167 HOH HOH B . 
D 2 HOH 68 168 168 HOH HOH B . 
D 2 HOH 69 169 169 HOH HOH B . 
D 2 HOH 70 170 170 HOH HOH B . 
D 2 HOH 71 171 171 HOH HOH B . 
D 2 HOH 72 172 172 HOH HOH B . 
D 2 HOH 73 173 173 HOH HOH B . 
D 2 HOH 74 174 174 HOH HOH B . 
D 2 HOH 75 175 175 HOH HOH B . 
D 2 HOH 76 176 176 HOH HOH B . 
D 2 HOH 77 177 177 HOH HOH B . 
D 2 HOH 78 178 178 HOH HOH B . 
D 2 HOH 79 179 179 HOH HOH B . 
D 2 HOH 80 180 180 HOH HOH B . 
D 2 HOH 81 181 181 HOH HOH B . 
D 2 HOH 82 182 182 HOH HOH B . 
D 2 HOH 83 183 183 HOH HOH B . 
D 2 HOH 84 184 184 HOH HOH B . 
D 2 HOH 85 185 185 HOH HOH B . 
D 2 HOH 86 186 186 HOH HOH B . 
D 2 HOH 87 187 187 HOH HOH B . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.17.1_3660 1 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? XSCALE      ? ? ? .           2 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27        3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .           4 
# 
_cell.angle_alpha                  110.030 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   114.810 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  95.760 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YNP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     25.604 
_cell.length_a_esd                 ? 
_cell.length_b                     27.932 
_cell.length_b_esd                 ? 
_cell.length_c                     28.668 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8YNP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8YNP 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.21 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'MPD, sodium cacodylate, spermine tetrahydrochloride' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-11-29 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.91962 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'PHOTON FACTORY BEAMLINE BL-17A' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.91962 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL-17A 
_diffrn_source.pdbx_synchrotron_site       'Photon Factory' 
# 
_reflns.B_iso_Wilson_estimate                          18.341 
_reflns.entry_id                                       8YNP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.400 
_reflns.d_resolution_low                               25.150 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     12164 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           93.900 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.576 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.580 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.963 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.084 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       43501 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.993 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.071 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
1.400 1.430  ? 7.070  ? 3121 942 ? 841 ? ? ? ? ? ? ? ? ? ? ? 3.711 ? ? ? 0.270 ? ? 1  1 0.950 ? ? 89.300 ? 0.231 ? ? ? ? ? ? ? ? ? 
1.430 1.470  ? 7.620  ? 3269 948 ? 884 ? ? ? ? ? ? ? ? ? ? ? 3.698 ? ? ? 0.247 ? ? 2  1 0.965 ? ? 93.200 ? 0.211 ? ? ? ? ? ? ? ? ? 
1.470 1.520  ? 8.210  ? 3038 897 ? 831 ? ? ? ? ? ? ? ? ? ? ? 3.656 ? ? ? 0.219 ? ? 3  1 0.959 ? ? 92.600 ? 0.187 ? ? ? ? ? ? ? ? ? 
1.520 1.560  ? 8.760  ? 2966 871 ? 823 ? ? ? ? ? ? ? ? ? ? ? 3.604 ? ? ? 0.196 ? ? 4  1 0.965 ? ? 94.500 ? 0.166 ? ? ? ? ? ? ? ? ? 
1.560 1.610  ? 9.900  ? 2792 863 ? 805 ? ? ? ? ? ? ? ? ? ? ? 3.468 ? ? ? 0.155 ? ? 5  1 0.984 ? ? 93.300 ? 0.131 ? ? ? ? ? ? ? ? ? 
1.610 1.670  ? 10.480 ? 2462 809 ? 749 ? ? ? ? ? ? ? ? ? ? ? 3.287 ? ? ? 0.126 ? ? 6  1 0.986 ? ? 92.600 ? 0.104 ? ? ? ? ? ? ? ? ? 
1.670 1.730  ? 12.190 ? 2790 815 ? 761 ? ? ? ? ? ? ? ? ? ? ? 3.666 ? ? ? 0.112 ? ? 7  1 0.990 ? ? 93.400 ? 0.095 ? ? ? ? ? ? ? ? ? 
1.730 1.800  ? 13.410 ? 2752 780 ? 737 ? ? ? ? ? ? ? ? ? ? ? 3.734 ? ? ? 0.104 ? ? 8  1 0.987 ? ? 94.500 ? 0.089 ? ? ? ? ? ? ? ? ? 
1.800 1.880  ? 13.800 ? 2512 713 ? 676 ? ? ? ? ? ? ? ? ? ? ? 3.716 ? ? ? 0.100 ? ? 9  1 0.988 ? ? 94.800 ? 0.086 ? ? ? ? ? ? ? ? ? 
1.880 1.980  ? 14.440 ? 2495 716 ? 682 ? ? ? ? ? ? ? ? ? ? ? 3.658 ? ? ? 0.092 ? ? 10 1 0.989 ? ? 95.300 ? 0.079 ? ? ? ? ? ? ? ? ? 
1.980 2.080  ? 14.930 ? 2254 666 ? 628 ? ? ? ? ? ? ? ? ? ? ? 3.589 ? ? ? 0.084 ? ? 11 1 0.992 ? ? 94.300 ? 0.071 ? ? ? ? ? ? ? ? ? 
2.080 2.210  ? 15.330 ? 2130 636 ? 608 ? ? ? ? ? ? ? ? ? ? ? 3.503 ? ? ? 0.082 ? ? 12 1 0.992 ? ? 95.600 ? 0.069 ? ? ? ? ? ? ? ? ? 
2.210 2.360  ? 15.080 ? 1814 608 ? 568 ? ? ? ? ? ? ? ? ? ? ? 3.194 ? ? ? 0.079 ? ? 13 1 0.988 ? ? 93.400 ? 0.065 ? ? ? ? ? ? ? ? ? 
2.360 2.550  ? 16.940 ? 1947 554 ? 533 ? ? ? ? ? ? ? ? ? ? ? 3.653 ? ? ? 0.074 ? ? 14 1 0.993 ? ? 96.200 ? 0.063 ? ? ? ? ? ? ? ? ? 
2.550 2.790  ? 17.370 ? 1813 512 ? 487 ? ? ? ? ? ? ? ? ? ? ? 3.723 ? ? ? 0.076 ? ? 15 1 0.990 ? ? 95.100 ? 0.065 ? ? ? ? ? ? ? ? ? 
2.790 3.120  ? 17.480 ? 1584 459 ? 441 ? ? ? ? ? ? ? ? ? ? ? 3.592 ? ? ? 0.084 ? ? 16 1 0.991 ? ? 96.100 ? 0.071 ? ? ? ? ? ? ? ? ? 
3.120 3.610  ? 17.990 ? 1389 414 ? 395 ? ? ? ? ? ? ? ? ? ? ? 3.516 ? ? ? 0.085 ? ? 17 1 0.989 ? ? 95.400 ? 0.072 ? ? ? ? ? ? ? ? ? 
3.610 4.420  ? 17.100 ? 987  331 ? 312 ? ? ? ? ? ? ? ? ? ? ? 3.163 ? ? ? 0.067 ? ? 18 1 0.993 ? ? 94.300 ? 0.055 ? ? ? ? ? ? ? ? ? 
4.420 6.250  ? 18.020 ? 891  266 ? 255 ? ? ? ? ? ? ? ? ? ? ? 3.494 ? ? ? 0.058 ? ? 19 1 0.997 ? ? 95.900 ? 0.049 ? ? ? ? ? ? ? ? ? 
6.250 25.150 ? 17.530 ? 495  153 ? 148 ? ? ? ? ? ? ? ? ? ? ? 3.345 ? ? ? 0.063 ? ? 20 1 0.994 ? ? 96.700 ? 0.053 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                38.830 
_refine.B_iso_mean                               13.8460 
_refine.B_iso_min                                6.090 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YNP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.4000 
_refine.ls_d_res_low                             25.1500 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     12149 
_refine.ls_number_reflns_R_free                  1216 
_refine.ls_number_reflns_R_work                  10933 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.4500 
_refine.ls_percent_reflns_R_free                 10.0100 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1537 
_refine.ls_R_factor_R_free                       0.1725 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1515 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          2.080 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 18.2000 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.0900 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         final 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.4000 
_refine_hist.d_res_low                        25.1500 
_refine_hist.number_atoms_solvent             170 
_refine_hist.number_atoms_total               684 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       24 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          23.29 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   514 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.4000 1.4500  1261 . 126 1135 90.0000 . . . 0.0000 0.1757 . . . . . . . 9 . . . 0.2106 
'X-RAY DIFFRACTION' 1.4500 1.5200  1370 . 137 1233 94.0000 . . . 0.0000 0.1667 . . . . . . . 9 . . . 0.1974 
'X-RAY DIFFRACTION' 1.5200 1.6000  1341 . 134 1207 94.0000 . . . 0.0000 0.1569 . . . . . . . 9 . . . 0.2081 
'X-RAY DIFFRACTION' 1.6000 1.7000  1326 . 132 1194 93.0000 . . . 0.0000 0.1427 . . . . . . . 9 . . . 0.1805 
'X-RAY DIFFRACTION' 1.7000 1.8300  1358 . 136 1222 95.0000 . . . 0.0000 0.1453 . . . . . . . 9 . . . 0.1533 
'X-RAY DIFFRACTION' 1.8300 2.0100  1367 . 137 1230 96.0000 . . . 0.0000 0.1508 . . . . . . . 9 . . . 0.1698 
'X-RAY DIFFRACTION' 2.0100 2.3100  1364 . 137 1227 95.0000 . . . 0.0000 0.1600 . . . . . . . 9 . . . 0.1889 
'X-RAY DIFFRACTION' 2.3100 2.9000  1382 . 138 1244 97.0000 . . . 0.0000 0.1769 . . . . . . . 9 . . . 0.2017 
'X-RAY DIFFRACTION' 2.9100 25.1500 1380 . 139 1241 96.0000 . . . 0.0000 0.1325 . . . . . . . 9 . . . 0.1404 
# 
_struct.entry_id                     8YNP 
_struct.title                        'RNA duplex containing Methylformamide' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8YNP 
_struct_keywords.text            'Methylformamide, RNA' 
_struct_keywords.pdbx_keywords   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 1 ? 
C N N 2 ? 
D N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    8YNP 
_struct_ref.pdbx_db_accession          8YNP 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           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 8YNP A 1 ? 12 ? 8YNP 1 ? 12 ? 1 12 
2 1 8YNP B 1 ? 12 ? 8YNP 1 ? 12 ? 1 12 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2310 ? 
1 MORE         4    ? 
1 'SSA (A^2)'  4350 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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_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 ? A C   4  "O3'" ? ? ? 1_555 A 5BU 5  P  ? ? A C   4  A 5BU 5  1_555 ? ? ? ? ? ? ?            1.606 ? ? 
covale2  covale both ? A 5BU 5  "O3'" ? ? ? 1_555 A C   6  P  ? ? A 5BU 5  A C   6  1_555 ? ? ? ? ? ? ?            1.606 ? ? 
covale3  covale both ? A G   9  "O3'" ? ? ? 1_555 A HHX 10 P  ? ? A G   9  A HHX 10 1_555 ? ? ? ? ? ? ?            1.605 ? ? 
covale4  covale both ? A HHX 10 "O3'" ? ? ? 1_555 A C   11 P  ? ? A HHX 10 A C   11 1_555 ? ? ? ? ? ? ?            1.589 ? ? 
covale5  covale both ? B C   4  "O3'" ? ? ? 1_555 B 5BU 5  P  ? ? B C   4  B 5BU 5  1_555 ? ? ? ? ? ? ?            1.608 ? ? 
covale6  covale both ? B 5BU 5  "O3'" ? ? ? 1_555 B C   6  P  ? ? B 5BU 5  B C   6  1_555 ? ? ? ? ? ? ?            1.600 ? ? 
covale7  covale both ? B G   9  "O3'" ? ? ? 1_555 B HHX 10 P  ? ? B G   9  B HHX 10 1_555 ? ? ? ? ? ? ?            1.600 ? ? 
covale8  covale both ? B HHX 10 "O3'" ? ? ? 1_555 B C   11 P  ? ? B HHX 10 B C   11 1_555 ? ? ? ? ? ? ?            1.596 ? ? 
hydrog1  hydrog ?    ? A G   1  N1    ? ? ? 1_555 B C   12 N3 ? ? A G   1  B C   12 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? A G   1  N2    ? ? ? 1_555 B C   12 O2 ? ? A G   1  B C   12 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? A G   1  O6    ? ? ? 1_555 B C   12 N4 ? ? A G   1  B C   12 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?    ? A G   2  N1    ? ? ? 1_555 B C   11 N3 ? ? A G   2  B C   11 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?    ? A G   2  N2    ? ? ? 1_555 B C   11 O2 ? ? A G   2  B C   11 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? A G   2  O6    ? ? ? 1_555 B C   11 N4 ? ? A G   2  B C   11 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? A C   4  N3    ? ? ? 1_555 B G   9  N1 ? ? A C   4  B G   9  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? A C   4  N4    ? ? ? 1_555 B G   9  O6 ? ? A C   4  B G   9  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? A C   4  O2    ? ? ? 1_555 B G   9  N2 ? ? A C   4  B G   9  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? A 5BU 5  N3    ? ? ? 1_555 B A   8  N1 ? ? A 5BU 5  B A   8  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? A 5BU 5  O4    ? ? ? 1_555 B A   8  N6 ? ? A 5BU 5  B A   8  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? A C   6  N3    ? ? ? 1_555 B G   7  N1 ? ? A C   6  B G   7  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? A C   6  N4    ? ? ? 1_555 B G   7  O6 ? ? A C   6  B G   7  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? A C   6  O2    ? ? ? 1_555 B G   7  N2 ? ? A C   6  B G   7  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? A G   7  N1    ? ? ? 1_555 B C   6  N3 ? ? A G   7  B C   6  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? A G   7  N2    ? ? ? 1_555 B C   6  O2 ? ? A G   7  B C   6  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?    ? A G   7  O6    ? ? ? 1_555 B C   6  N4 ? ? A G   7  B C   6  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?    ? A A   8  N1    ? ? ? 1_555 B 5BU 5  N3 ? ? A A   8  B 5BU 5  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?    ? A A   8  N6    ? ? ? 1_555 B 5BU 5  O4 ? ? A A   8  B 5BU 5  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?    ? A G   9  N1    ? ? ? 1_555 B C   4  N3 ? ? A G   9  B C   4  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?    ? A G   9  N2    ? ? ? 1_555 B C   4  O2 ? ? A G   9  B C   4  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?    ? A G   9  O6    ? ? ? 1_555 B C   4  N4 ? ? A G   9  B C   4  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog23 hydrog ?    ? A C   11 N3    ? ? ? 1_555 B G   2  N1 ? ? A C   11 B G   2  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog24 hydrog ?    ? A C   11 N4    ? ? ? 1_555 B G   2  O6 ? ? A C   11 B G   2  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog25 hydrog ?    ? A C   11 O2    ? ? ? 1_555 B G   2  N2 ? ? A C   11 B G   2  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog26 hydrog ?    ? A C   12 N3    ? ? ? 1_555 B G   1  N1 ? ? A C   12 B G   1  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog27 hydrog ?    ? A C   12 N4    ? ? ? 1_555 B G   1  O6 ? ? A C   12 B G   1  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog28 hydrog ?    ? A C   12 O2    ? ? ? 1_555 B G   1  N2 ? ? A C   12 B G   1  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
_pdbx_entry_details.entry_id                   8YNP 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
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 
5BU P      P  N N 1   
5BU OP1    O  N N 2   
5BU OP2    O  N N 3   
5BU OP3    O  N N 4   
5BU "O5'"  O  N N 5   
5BU "C5'"  C  N N 6   
5BU "C4'"  C  N R 7   
5BU "O4'"  O  N N 8   
5BU "C3'"  C  N S 9   
5BU "O3'"  O  N N 10  
5BU "C2'"  C  N R 11  
5BU "O2'"  O  N N 12  
5BU "C1'"  C  N R 13  
5BU N1     N  N N 14  
5BU C2     C  N N 15  
5BU O2     O  N N 16  
5BU N3     N  N N 17  
5BU C4     C  N N 18  
5BU O4     O  N N 19  
5BU C5     C  N N 20  
5BU C6     C  N N 21  
5BU BR     BR N N 22  
5BU HOP2   H  N N 23  
5BU HOP3   H  N N 24  
5BU "H5'"  H  N N 25  
5BU "H5''" H  N N 26  
5BU "H4'"  H  N N 27  
5BU "H3'"  H  N N 28  
5BU "HO3'" H  N N 29  
5BU "H2'"  H  N N 30  
5BU "HO2'" H  N N 31  
5BU "H1'"  H  N N 32  
5BU H3     H  N N 33  
5BU H6     H  N N 34  
A   OP3    O  N N 35  
A   P      P  N N 36  
A   OP1    O  N N 37  
A   OP2    O  N N 38  
A   "O5'"  O  N N 39  
A   "C5'"  C  N N 40  
A   "C4'"  C  N R 41  
A   "O4'"  O  N N 42  
A   "C3'"  C  N S 43  
A   "O3'"  O  N N 44  
A   "C2'"  C  N R 45  
A   "O2'"  O  N N 46  
A   "C1'"  C  N R 47  
A   N9     N  Y N 48  
A   C8     C  Y N 49  
A   N7     N  Y N 50  
A   C5     C  Y N 51  
A   C6     C  Y N 52  
A   N6     N  N N 53  
A   N1     N  Y N 54  
A   C2     C  Y N 55  
A   N3     N  Y N 56  
A   C4     C  Y N 57  
A   HOP3   H  N N 58  
A   HOP2   H  N N 59  
A   "H5'"  H  N N 60  
A   "H5''" H  N N 61  
A   "H4'"  H  N N 62  
A   "H3'"  H  N N 63  
A   "HO3'" H  N N 64  
A   "H2'"  H  N N 65  
A   "HO2'" H  N N 66  
A   "H1'"  H  N N 67  
A   H8     H  N N 68  
A   H61    H  N N 69  
A   H62    H  N N 70  
A   H2     H  N N 71  
C   OP3    O  N N 72  
C   P      P  N N 73  
C   OP1    O  N N 74  
C   OP2    O  N N 75  
C   "O5'"  O  N N 76  
C   "C5'"  C  N N 77  
C   "C4'"  C  N R 78  
C   "O4'"  O  N N 79  
C   "C3'"  C  N S 80  
C   "O3'"  O  N N 81  
C   "C2'"  C  N R 82  
C   "O2'"  O  N N 83  
C   "C1'"  C  N R 84  
C   N1     N  N N 85  
C   C2     C  N N 86  
C   O2     O  N N 87  
C   N3     N  N N 88  
C   C4     C  N N 89  
C   N4     N  N N 90  
C   C5     C  N N 91  
C   C6     C  N N 92  
C   HOP3   H  N N 93  
C   HOP2   H  N N 94  
C   "H5'"  H  N N 95  
C   "H5''" H  N N 96  
C   "H4'"  H  N N 97  
C   "H3'"  H  N N 98  
C   "HO3'" H  N N 99  
C   "H2'"  H  N N 100 
C   "HO2'" H  N N 101 
C   "H1'"  H  N N 102 
C   H41    H  N N 103 
C   H42    H  N N 104 
C   H5     H  N N 105 
C   H6     H  N N 106 
G   OP3    O  N N 107 
G   P      P  N N 108 
G   OP1    O  N N 109 
G   OP2    O  N N 110 
G   "O5'"  O  N N 111 
G   "C5'"  C  N N 112 
G   "C4'"  C  N R 113 
G   "O4'"  O  N N 114 
G   "C3'"  C  N S 115 
G   "O3'"  O  N N 116 
G   "C2'"  C  N R 117 
G   "O2'"  O  N N 118 
G   "C1'"  C  N R 119 
G   N9     N  Y N 120 
G   C8     C  Y N 121 
G   N7     N  Y N 122 
G   C5     C  Y N 123 
G   C6     C  N N 124 
G   O6     O  N N 125 
G   N1     N  N N 126 
G   C2     C  N N 127 
G   N2     N  N N 128 
G   N3     N  N N 129 
G   C4     C  Y N 130 
G   HOP3   H  N N 131 
G   HOP2   H  N N 132 
G   "H5'"  H  N N 133 
G   "H5''" H  N N 134 
G   "H4'"  H  N N 135 
G   "H3'"  H  N N 136 
G   "HO3'" H  N N 137 
G   "H2'"  H  N N 138 
G   "HO2'" H  N N 139 
G   "H1'"  H  N N 140 
G   H8     H  N N 141 
G   H1     H  N N 142 
G   H21    H  N N 143 
G   H22    H  N N 144 
HHX "C1'"  C  N R 145 
HHX C2     C  N N 146 
HHX "C2'"  C  N R 147 
HHX "C3'"  C  N S 148 
HHX C4     C  N N 149 
HHX "C4'"  C  N R 150 
HHX C5     C  N N 151 
HHX "C5'"  C  N N 152 
HHX C6     C  N N 153 
HHX "C6'"  C  N N 154 
HHX "C7'"  C  N N 155 
HHX N1     N  N N 156 
HHX "N2'"  N  N N 157 
HHX N3     N  N N 158 
HHX O2     O  N N 159 
HHX "O3'"  O  N N 160 
HHX O4     O  N N 161 
HHX "O4'"  O  N N 162 
HHX "O5'"  O  N N 163 
HHX "O6'"  O  N N 164 
HHX OP1    O  N N 165 
HHX OP2    O  N N 166 
HHX P      P  N N 167 
HHX H1     H  N N 168 
HHX H2     H  N N 169 
HHX H3     H  N N 170 
HHX H4     H  N N 171 
HHX H5     H  N N 172 
HHX H6     H  N N 173 
HHX H7     H  N N 174 
HHX H8     H  N N 175 
HHX H9     H  N N 176 
HHX H10    H  N N 177 
HHX H11    H  N N 178 
HHX H12    H  N N 179 
HHX H13    H  N N 180 
HHX "HO3'" H  N N 181 
HHX HOP2   H  N N 182 
HHX OP3    O  N N 183 
HHX HOP3   H  N N 184 
HOH O      O  N N 185 
HOH H1     H  N N 186 
HOH H2     H  N N 187 
# 
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 
5BU P     OP1    doub N N 1   
5BU P     OP2    sing N N 2   
5BU P     OP3    sing N N 3   
5BU P     "O5'"  sing N N 4   
5BU OP2   HOP2   sing N N 5   
5BU OP3   HOP3   sing N N 6   
5BU "O5'" "C5'"  sing N N 7   
5BU "C5'" "C4'"  sing N N 8   
5BU "C5'" "H5'"  sing N N 9   
5BU "C5'" "H5''" sing N N 10  
5BU "C4'" "O4'"  sing N N 11  
5BU "C4'" "C3'"  sing N N 12  
5BU "C4'" "H4'"  sing N N 13  
5BU "O4'" "C1'"  sing N N 14  
5BU "C3'" "O3'"  sing N N 15  
5BU "C3'" "C2'"  sing N N 16  
5BU "C3'" "H3'"  sing N N 17  
5BU "O3'" "HO3'" sing N N 18  
5BU "C2'" "O2'"  sing N N 19  
5BU "C2'" "C1'"  sing N N 20  
5BU "C2'" "H2'"  sing N N 21  
5BU "O2'" "HO2'" sing N N 22  
5BU "C1'" N1     sing N N 23  
5BU "C1'" "H1'"  sing N N 24  
5BU N1    C2     sing N N 25  
5BU N1    C6     sing N N 26  
5BU C2    O2     doub N N 27  
5BU C2    N3     sing N N 28  
5BU N3    C4     sing N N 29  
5BU N3    H3     sing N N 30  
5BU C4    O4     doub N N 31  
5BU C4    C5     sing N N 32  
5BU C5    C6     doub N N 33  
5BU C5    BR     sing N N 34  
5BU C6    H6     sing N N 35  
A   OP3   P      sing N N 36  
A   OP3   HOP3   sing N N 37  
A   P     OP1    doub N N 38  
A   P     OP2    sing N N 39  
A   P     "O5'"  sing N N 40  
A   OP2   HOP2   sing N N 41  
A   "O5'" "C5'"  sing N N 42  
A   "C5'" "C4'"  sing N N 43  
A   "C5'" "H5'"  sing N N 44  
A   "C5'" "H5''" sing N N 45  
A   "C4'" "O4'"  sing N N 46  
A   "C4'" "C3'"  sing N N 47  
A   "C4'" "H4'"  sing N N 48  
A   "O4'" "C1'"  sing N N 49  
A   "C3'" "O3'"  sing N N 50  
A   "C3'" "C2'"  sing N N 51  
A   "C3'" "H3'"  sing N N 52  
A   "O3'" "HO3'" sing N N 53  
A   "C2'" "O2'"  sing N N 54  
A   "C2'" "C1'"  sing N N 55  
A   "C2'" "H2'"  sing N N 56  
A   "O2'" "HO2'" sing N N 57  
A   "C1'" N9     sing N N 58  
A   "C1'" "H1'"  sing N N 59  
A   N9    C8     sing Y N 60  
A   N9    C4     sing Y N 61  
A   C8    N7     doub Y N 62  
A   C8    H8     sing N N 63  
A   N7    C5     sing Y N 64  
A   C5    C6     sing Y N 65  
A   C5    C4     doub Y N 66  
A   C6    N6     sing N N 67  
A   C6    N1     doub Y N 68  
A   N6    H61    sing N N 69  
A   N6    H62    sing N N 70  
A   N1    C2     sing Y N 71  
A   C2    N3     doub Y N 72  
A   C2    H2     sing N N 73  
A   N3    C4     sing Y N 74  
C   OP3   P      sing N N 75  
C   OP3   HOP3   sing N N 76  
C   P     OP1    doub N N 77  
C   P     OP2    sing N N 78  
C   P     "O5'"  sing N N 79  
C   OP2   HOP2   sing N N 80  
C   "O5'" "C5'"  sing N N 81  
C   "C5'" "C4'"  sing N N 82  
C   "C5'" "H5'"  sing N N 83  
C   "C5'" "H5''" sing N N 84  
C   "C4'" "O4'"  sing N N 85  
C   "C4'" "C3'"  sing N N 86  
C   "C4'" "H4'"  sing N N 87  
C   "O4'" "C1'"  sing N N 88  
C   "C3'" "O3'"  sing N N 89  
C   "C3'" "C2'"  sing N N 90  
C   "C3'" "H3'"  sing N N 91  
C   "O3'" "HO3'" sing N N 92  
C   "C2'" "O2'"  sing N N 93  
C   "C2'" "C1'"  sing N N 94  
C   "C2'" "H2'"  sing N N 95  
C   "O2'" "HO2'" sing N N 96  
C   "C1'" N1     sing N N 97  
C   "C1'" "H1'"  sing N N 98  
C   N1    C2     sing N N 99  
C   N1    C6     sing N N 100 
C   C2    O2     doub N N 101 
C   C2    N3     sing N N 102 
C   N3    C4     doub N N 103 
C   C4    N4     sing N N 104 
C   C4    C5     sing N N 105 
C   N4    H41    sing N N 106 
C   N4    H42    sing N N 107 
C   C5    C6     doub N N 108 
C   C5    H5     sing N N 109 
C   C6    H6     sing N N 110 
G   OP3   P      sing N N 111 
G   OP3   HOP3   sing N N 112 
G   P     OP1    doub N N 113 
G   P     OP2    sing N N 114 
G   P     "O5'"  sing N N 115 
G   OP2   HOP2   sing N N 116 
G   "O5'" "C5'"  sing N N 117 
G   "C5'" "C4'"  sing N N 118 
G   "C5'" "H5'"  sing N N 119 
G   "C5'" "H5''" sing N N 120 
G   "C4'" "O4'"  sing N N 121 
G   "C4'" "C3'"  sing N N 122 
G   "C4'" "H4'"  sing N N 123 
G   "O4'" "C1'"  sing N N 124 
G   "C3'" "O3'"  sing N N 125 
G   "C3'" "C2'"  sing N N 126 
G   "C3'" "H3'"  sing N N 127 
G   "O3'" "HO3'" sing N N 128 
G   "C2'" "O2'"  sing N N 129 
G   "C2'" "C1'"  sing N N 130 
G   "C2'" "H2'"  sing N N 131 
G   "O2'" "HO2'" sing N N 132 
G   "C1'" N9     sing N N 133 
G   "C1'" "H1'"  sing N N 134 
G   N9    C8     sing Y N 135 
G   N9    C4     sing Y N 136 
G   C8    N7     doub Y N 137 
G   C8    H8     sing N N 138 
G   N7    C5     sing Y N 139 
G   C5    C6     sing N N 140 
G   C5    C4     doub Y N 141 
G   C6    O6     doub N N 142 
G   C6    N1     sing N N 143 
G   N1    C2     sing N N 144 
G   N1    H1     sing N N 145 
G   C2    N2     sing N N 146 
G   C2    N3     doub N N 147 
G   N2    H21    sing N N 148 
G   N2    H22    sing N N 149 
G   N3    C4     sing N N 150 
HHX "O3'" "C3'"  sing N N 151 
HHX "O6'" "C7'"  doub N N 152 
HHX "C7'" "N2'"  sing N N 153 
HHX "C3'" "C2'"  sing N N 154 
HHX "C3'" "C4'"  sing N N 155 
HHX "N2'" "C6'"  sing N N 156 
HHX "N2'" "C2'"  sing N N 157 
HHX "C2'" "C1'"  sing N N 158 
HHX "C4'" "C5'"  sing N N 159 
HHX "C4'" "O4'"  sing N N 160 
HHX "C5'" "O5'"  sing N N 161 
HHX OP1   P      doub N N 162 
HHX "O5'" P      sing N N 163 
HHX "C1'" "O4'"  sing N N 164 
HHX "C1'" N1     sing N N 165 
HHX P     OP2    sing N N 166 
HHX O2    C2     doub N N 167 
HHX N1    C2     sing N N 168 
HHX N1    C6     sing N N 169 
HHX C2    N3     sing N N 170 
HHX C6    C5     doub N N 171 
HHX N3    C4     sing N N 172 
HHX C5    C4     sing N N 173 
HHX C4    O4     doub N N 174 
HHX "C1'" H1     sing N N 175 
HHX "C2'" H2     sing N N 176 
HHX "C3'" H3     sing N N 177 
HHX "C4'" H4     sing N N 178 
HHX C5    H5     sing N N 179 
HHX "C5'" H6     sing N N 180 
HHX "C5'" H7     sing N N 181 
HHX C6    H8     sing N N 182 
HHX "C6'" H9     sing N N 183 
HHX "C6'" H10    sing N N 184 
HHX "C6'" H11    sing N N 185 
HHX "C7'" H12    sing N N 186 
HHX N3    H13    sing N N 187 
HHX "O3'" "HO3'" sing N N 188 
HHX OP2   HOP2   sing N N 189 
HHX P     OP3    sing N N 190 
HHX OP3   HOP3   sing N N 191 
HOH O     H1     sing N N 192 
HOH O     H2     sing N N 193 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
8YNP 'double helix'        
8YNP 'a-form double helix' 
# 
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 B C   12 1_555 -0.223 -0.147 0.019  2.212  -6.952  -1.430 1  A_G1:C12_B  A 1  ? B 12 ? 19 1 
1 A G   2  1_555 B C   11 1_555 -0.170 -0.177 -0.014 -7.274 -16.603 2.188  2  A_G2:C11_B  A 2  ? B 11 ? 19 1 
1 A C   4  1_555 B G   9  1_555 0.232  -0.153 0.121  1.889  -8.498  -0.891 3  A_C4:G9_B   A 4  ? B 9  ? 19 1 
1 A 5BU 5  1_555 B A   8  1_555 -0.082 -0.190 -0.166 9.619  -8.499  0.351  4  A_5BU5:A8_B A 5  ? B 8  ? 20 1 
1 A C   6  1_555 B G   7  1_555 0.148  -0.106 -0.087 8.877  -15.672 1.173  5  A_C6:G7_B   A 6  ? B 7  ? 19 1 
1 A G   7  1_555 B C   6  1_555 -0.191 -0.116 -0.217 -6.466 -9.747  0.202  6  A_G7:C6_B   A 7  ? B 6  ? 19 1 
1 A A   8  1_555 B 5BU 5  1_555 0.093  -0.146 -0.153 -7.102 -11.668 -2.533 7  A_A8:5BU5_B A 8  ? B 5  ? 20 1 
1 A G   9  1_555 B C   4  1_555 -0.150 -0.110 -0.009 -6.494 -9.480  1.709  8  A_G9:C4_B   A 9  ? B 4  ? 19 1 
1 A C   11 1_555 B G   2  1_555 0.340  -0.130 -0.082 6.784  -14.018 2.539  9  A_C11:G2_B  A 11 ? B 2  ? 19 1 
1 A C   12 1_555 B G   1  1_555 0.154  -0.110 0.031  1.517  -3.633  -2.046 10 A_C12:G1_B  A 12 ? B 1  ? 19 1 
# 
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 B C   12 1_555 A G   2  1_555 B C   11 1_555 0.347  -2.177 3.397 0.285  8.709  34.024 -4.862 -0.534 2.775 14.589 
-0.477 35.090 1 AA_G1G2:C11C12_BB A 1  ? B 12 ? A 2  ? B 11 ? 
1 A G   2  1_555 B C   11 1_555 A C   4  1_555 B G   9  1_555 -0.488 -2.759 6.135 -0.919 8.590  61.993 -3.369 0.394  5.752 8.297  
0.888  62.532 2 AA_G2C4:G9C11_BB  A 2  ? B 11 ? A 4  ? B 9  ? 
1 A C   4  1_555 B G   9  1_555 A 5BU 5  1_555 B A   8  1_555 -1.201 -2.161 3.055 -0.997 6.012  23.354 -6.823 2.600  2.477 14.536 
2.411  24.125 3 AA_C45BU5:A8G9_BB A 4  ? B 9  ? A 5  ? B 8  ? 
1 A 5BU 5  1_555 B A   8  1_555 A C   6  1_555 B G   7  1_555 0.563  -1.485 3.220 -0.109 8.939  34.827 -3.595 -0.927 2.766 14.638 
0.179  35.922 4 AA_5BU5C6:G7A8_BB A 5  ? B 8  ? A 6  ? B 7  ? 
1 A C   6  1_555 B G   7  1_555 A G   7  1_555 B C   6  1_555 -0.493 -1.801 3.514 0.255  14.179 32.315 -5.014 0.852  2.523 24.080 
-0.432 35.214 5 AA_C6G7:C6G7_BB   A 6  ? B 7  ? A 7  ? B 6  ? 
1 A G   7  1_555 B C   6  1_555 A A   8  1_555 B 5BU 5  1_555 -0.114 -1.426 3.289 -0.008 5.280  31.914 -3.467 0.203  3.020 9.521  
0.014  32.336 6 AA_G7A8:5BU5C6_BB A 7  ? B 6  ? A 8  ? B 5  ? 
1 A A   8  1_555 B 5BU 5  1_555 A G   9  1_555 B C   4  1_555 0.866  -2.123 3.244 1.386  5.305  29.421 -5.147 -1.407 2.863 10.332 
-2.700 29.917 7 AA_A8G9:C45BU5_BB A 8  ? B 5  ? A 9  ? B 4  ? 
1 A G   9  1_555 B C   4  1_555 A C   11 1_555 B G   2  1_555 0.132  -2.896 6.032 -0.603 12.968 60.033 -3.922 -0.179 5.363 12.800 
0.595  61.293 8 AA_G9C11:G2C4_BB  A 9  ? B 4  ? A 11 ? B 2  ? 
1 A C   11 1_555 B G   2  1_555 A C   12 1_555 B G   1  1_555 -0.693 -2.035 3.325 -1.323 9.068  33.277 -4.758 0.976  2.718 15.472 
2.257  34.481 9 AA_C11C12:G1G2_BB A 11 ? B 2  ? A 12 ? B 1  ? 
# 
_pdbx_audit_support.funding_organization   'Japan Science and Technology' 
_pdbx_audit_support.country                Japan 
_pdbx_audit_support.grant_number           JPMJCR18S1 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8YNP 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.039056 
_atom_sites.fract_transf_matrix[1][2]   0.003940 
_atom_sites.fract_transf_matrix[1][3]   0.021804 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.035983 
_atom_sites.fract_transf_matrix[2][3]   0.016932 
_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]   0.042469 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
BR 
C  
N  
O  
P  
# 
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  ? -14.748 27.243 -2.392  1.00 16.06 ? 1   G   A "O5'" 1 
ATOM   2   C  "C5'" . G   A 1 1  ? -14.359 28.504 -2.906  1.00 13.08 ? 1   G   A "C5'" 1 
ATOM   3   C  "C4'" . G   A 1 1  ? -13.216 29.086 -2.122  1.00 12.93 ? 1   G   A "C4'" 1 
ATOM   4   O  "O4'" . G   A 1 1  ? -13.614 29.308 -0.743  1.00 12.38 ? 1   G   A "O4'" 1 
ATOM   5   C  "C3'" . G   A 1 1  ? -11.982 28.214 -1.996  1.00 11.71 ? 1   G   A "C3'" 1 
ATOM   6   O  "O3'" . G   A 1 1  ? -11.188 28.217 -3.166  1.00 10.44 ? 1   G   A "O3'" 1 
ATOM   7   C  "C2'" . G   A 1 1  ? -11.303 28.814 -0.778  1.00 11.15 ? 1   G   A "C2'" 1 
ATOM   8   O  "O2'" . G   A 1 1  ? -10.713 30.065 -1.109  1.00 11.23 ? 1   G   A "O2'" 1 
ATOM   9   C  "C1'" . G   A 1 1  ? -12.515 29.078 0.114   1.00 10.34 ? 1   G   A "C1'" 1 
ATOM   10  N  N9    . G   A 1 1  ? -12.819 27.888 0.930   1.00 9.62  ? 1   G   A N9    1 
ATOM   11  C  C8    . G   A 1 1  ? -13.889 27.037 0.798   1.00 11.28 ? 1   G   A C8    1 
ATOM   12  N  N7    . G   A 1 1  ? -13.867 26.043 1.644   1.00 10.76 ? 1   G   A N7    1 
ATOM   13  C  C5    . G   A 1 1  ? -12.699 26.256 2.368   1.00 7.98  ? 1   G   A C5    1 
ATOM   14  C  C6    . G   A 1 1  ? -12.135 25.519 3.429   1.00 8.65  ? 1   G   A C6    1 
ATOM   15  O  O6    . G   A 1 1  ? -12.578 24.494 3.940   1.00 10.33 ? 1   G   A O6    1 
ATOM   16  N  N1    . G   A 1 1  ? -10.941 26.065 3.875   1.00 9.25  ? 1   G   A N1    1 
ATOM   17  C  C2    . G   A 1 1  ? -10.366 27.201 3.379   1.00 10.18 ? 1   G   A C2    1 
ATOM   18  N  N2    . G   A 1 1  ? -9.210  27.579 3.939   1.00 10.22 ? 1   G   A N2    1 
ATOM   19  N  N3    . G   A 1 1  ? -10.889 27.907 2.391   1.00 9.10  ? 1   G   A N3    1 
ATOM   20  C  C4    . G   A 1 1  ? -12.044 27.381 1.941   1.00 8.71  ? 1   G   A C4    1 
ATOM   21  P  P     . G   A 1 2  ? -10.297 26.936 -3.549  1.00 10.28 ? 2   G   A P     1 
ATOM   22  O  OP1   . G   A 1 2  ? -9.625  27.254 -4.834  1.00 11.55 ? 2   G   A OP1   1 
ATOM   23  O  OP2   . G   A 1 2  ? -11.114 25.714 -3.420  1.00 11.23 ? 2   G   A OP2   1 
ATOM   24  O  "O5'" . G   A 1 2  ? -9.189  26.875 -2.414  1.00 10.30 ? 2   G   A "O5'" 1 
ATOM   25  C  "C5'" . G   A 1 2  ? -8.227  27.906 -2.270  1.00 10.13 ? 2   G   A "C5'" 1 
ATOM   26  C  "C4'" . G   A 1 2  ? -7.288  27.574 -1.146  1.00 8.90  ? 2   G   A "C4'" 1 
ATOM   27  O  "O4'" . G   A 1 2  ? -8.030  27.516 0.101   1.00 9.80  ? 2   G   A "O4'" 1 
ATOM   28  C  "C3'" . G   A 1 2  ? -6.645  26.202 -1.235  1.00 9.80  ? 2   G   A "C3'" 1 
ATOM   29  O  "O3'" . G   A 1 2  ? -5.569  26.150 -2.145  1.00 9.87  ? 2   G   A "O3'" 1 
ATOM   30  C  "C2'" . G   A 1 2  ? -6.261  25.943 0.209   1.00 8.57  ? 2   G   A "C2'" 1 
ATOM   31  O  "O2'" . G   A 1 2  ? -5.134  26.728 0.570   1.00 10.97 ? 2   G   A "O2'" 1 
ATOM   32  C  "C1'" . G   A 1 2  ? -7.484  26.505 0.927   1.00 9.87  ? 2   G   A "C1'" 1 
ATOM   33  N  N9    . G   A 1 2  ? -8.500  25.462 1.133   1.00 7.32  ? 2   G   A N9    1 
ATOM   34  C  C8    . G   A 1 2  ? -9.694  25.270 0.481   1.00 8.19  ? 2   G   A C8    1 
ATOM   35  N  N7    . G   A 1 2  ? -10.363 24.229 0.908   1.00 9.34  ? 2   G   A N7    1 
ATOM   36  C  C5    . G   A 1 2  ? -9.556  23.707 1.911   1.00 8.39  ? 2   G   A C5    1 
ATOM   37  C  C6    . G   A 1 2  ? -9.740  22.580 2.756   1.00 8.23  ? 2   G   A C6    1 
ATOM   38  O  O6    . G   A 1 2  ? -10.689 21.787 2.784   1.00 8.37  ? 2   G   A O6    1 
ATOM   39  N  N1    . G   A 1 2  ? -8.669  22.399 3.625   1.00 7.11  ? 2   G   A N1    1 
ATOM   40  C  C2    . G   A 1 2  ? -7.559  23.200 3.680   1.00 8.17  ? 2   G   A C2    1 
ATOM   41  N  N2    . G   A 1 2  ? -6.632  22.876 4.588   1.00 8.80  ? 2   G   A N2    1 
ATOM   42  N  N3    . G   A 1 2  ? -7.383  24.262 2.910   1.00 7.70  ? 2   G   A N3    1 
ATOM   43  C  C4    . G   A 1 2  ? -8.410  24.449 2.057   1.00 7.21  ? 2   G   A C4    1 
ATOM   44  P  P     . A   A 1 3  ? -5.170  24.760 -2.835  1.00 9.77  ? 3   A   A P     1 
ATOM   45  O  OP1   . A   A 1 3  ? -4.217  25.091 -3.934  1.00 10.96 ? 3   A   A OP1   1 
ATOM   46  O  OP2   . A   A 1 3  ? -6.379  23.958 -3.124  1.00 8.87  ? 3   A   A OP2   1 
ATOM   47  O  "O5'" . A   A 1 3  ? -4.382  23.985 -1.685  1.00 9.24  ? 3   A   A "O5'" 1 
ATOM   48  C  "C5'" . A   A 1 3  ? -3.130  24.459 -1.223  1.00 9.49  ? 3   A   A "C5'" 1 
ATOM   49  C  "C4'" . A   A 1 3  ? -2.551  23.525 -0.198  1.00 8.67  ? 3   A   A "C4'" 1 
ATOM   50  O  "O4'" . A   A 1 3  ? -3.356  23.546 1.013   1.00 8.72  ? 3   A   A "O4'" 1 
ATOM   51  C  "C3'" . A   A 1 3  ? -2.526  22.058 -0.573  1.00 8.58  ? 3   A   A "C3'" 1 
ATOM   52  O  "O3'" . A   A 1 3  ? -1.478  21.728 -1.448  1.00 9.59  ? 3   A   A "O3'" 1 
ATOM   53  C  "C2'" . A   A 1 3  ? -2.399  21.406 0.787   1.00 6.94  ? 3   A   A "C2'" 1 
ATOM   54  O  "O2'" . A   A 1 3  ? -1.095  21.657 1.299   1.00 9.96  ? 3   A   A "O2'" 1 
ATOM   55  C  "C1'" . A   A 1 3  ? -3.382  22.252 1.580   1.00 8.34  ? 3   A   A "C1'" 1 
ATOM   56  N  N9    . A   A 1 3  ? -4.756  21.723 1.462   1.00 7.56  ? 3   A   A N9    1 
ATOM   57  C  C8    . A   A 1 3  ? -5.761  22.143 0.626   1.00 8.14  ? 3   A   A C8    1 
ATOM   58  N  N7    . A   A 1 3  ? -6.878  21.474 0.751   1.00 8.18  ? 3   A   A N7    1 
ATOM   59  C  C5    . A   A 1 3  ? -6.594  20.538 1.737   1.00 6.65  ? 3   A   A C5    1 
ATOM   60  C  C6    . A   A 1 3  ? -7.367  19.520 2.320   1.00 7.62  ? 3   A   A C6    1 
ATOM   61  N  N6    . A   A 1 3  ? -8.648  19.275 1.995   1.00 8.58  ? 3   A   A N6    1 
ATOM   62  N  N1    . A   A 1 3  ? -6.780  18.758 3.265   1.00 7.13  ? 3   A   A N1    1 
ATOM   63  C  C2    . A   A 1 3  ? -5.510  19.003 3.595   1.00 8.51  ? 3   A   A C2    1 
ATOM   64  N  N3    . A   A 1 3  ? -4.678  19.928 3.120   1.00 7.54  ? 3   A   A N3    1 
ATOM   65  C  C4    . A   A 1 3  ? -5.288  20.675 2.176   1.00 7.04  ? 3   A   A C4    1 
ATOM   66  P  P     . C   A 1 4  ? -1.642  20.520 -2.494  1.00 10.58 ? 4   C   A P     1 
ATOM   67  O  OP1   . C   A 1 4  ? -0.434  20.539 -3.344  1.00 13.78 ? 4   C   A OP1   1 
ATOM   68  O  OP2   . C   A 1 4  ? -2.997  20.519 -3.090  1.00 11.98 ? 4   C   A OP2   1 
ATOM   69  O  "O5'" . C   A 1 4  ? -1.604  19.202 -1.603  1.00 9.90  ? 4   C   A "O5'" 1 
ATOM   70  C  "C5'" . C   A 1 4  ? -0.491  18.892 -0.778  1.00 11.70 ? 4   C   A "C5'" 1 
ATOM   71  C  "C4'" . C   A 1 4  ? -0.846  17.838 0.242   1.00 9.71  ? 4   C   A "C4'" 1 
ATOM   72  O  "O4'" . C   A 1 4  ? -1.983  18.274 1.032   1.00 9.47  ? 4   C   A "O4'" 1 
ATOM   73  C  "C3'" . C   A 1 4  ? -1.277  16.487 -0.303  1.00 10.37 ? 4   C   A "C3'" 1 
ATOM   74  O  "O3'" . C   A 1 4  ? -0.173  15.685 -0.683  1.00 12.69 ? 4   C   A "O3'" 1 
ATOM   75  C  "C2'" . C   A 1 4  ? -2.075  15.913 0.856   1.00 10.14 ? 4   C   A "C2'" 1 
ATOM   76  O  "O2'" . C   A 1 4  ? -1.202  15.449 1.874   1.00 13.17 ? 4   C   A "O2'" 1 
ATOM   77  C  "C1'" . C   A 1 4  ? -2.782  17.161 1.377   1.00 11.07 ? 4   C   A "C1'" 1 
ATOM   78  N  N1    . C   A 1 4  ? -4.124  17.320 0.771   1.00 8.20  ? 4   C   A N1    1 
ATOM   79  C  C2    . C   A 1 4  ? -5.143  16.495 1.251   1.00 8.49  ? 4   C   A C2    1 
ATOM   80  O  O2    . C   A 1 4  ? -4.870  15.678 2.150   1.00 9.53  ? 4   C   A O2    1 
ATOM   81  N  N3    . C   A 1 4  ? -6.375  16.599 0.722   1.00 8.07  ? 4   C   A N3    1 
ATOM   82  C  C4    . C   A 1 4  ? -6.617  17.488 -0.242  1.00 8.59  ? 4   C   A C4    1 
ATOM   83  N  N4    . C   A 1 4  ? -7.869  17.543 -0.703  1.00 9.86  ? 4   C   A N4    1 
ATOM   84  C  C5    . C   A 1 4  ? -5.601  18.352 -0.750  1.00 8.60  ? 4   C   A C5    1 
ATOM   85  C  C6    . C   A 1 4  ? -4.379  18.232 -0.218  1.00 8.24  ? 4   C   A C6    1 
HETATM 86  P  P     . 5BU A 1 5  ? -0.342  14.461 -1.709  1.00 13.32 ? 5   5BU A P     1 
HETATM 87  O  OP1   . 5BU A 1 5  ? 1.052   13.941 -2.017  1.00 16.32 ? 5   5BU A OP1   1 
HETATM 88  O  OP2   . 5BU A 1 5  ? -1.256  14.827 -2.852  1.00 14.99 ? 5   5BU A OP2   1 
HETATM 89  O  "O5'" . 5BU A 1 5  ? -1.089  13.346 -0.863  1.00 13.64 ? 5   5BU A "O5'" 1 
HETATM 90  C  "C5'" . 5BU A 1 5  ? -0.420  12.652 0.174   1.00 13.72 ? 5   5BU A "C5'" 1 
HETATM 91  C  "C4'" . 5BU A 1 5  ? -1.309  11.595 0.768   1.00 14.31 ? 5   5BU A "C4'" 1 
HETATM 92  O  "O4'" . 5BU A 1 5  ? -2.466  12.214 1.385   1.00 13.57 ? 5   5BU A "O4'" 1 
HETATM 93  C  "C3'" . 5BU A 1 5  ? -1.924  10.610 -0.210  1.00 13.15 ? 5   5BU A "C3'" 1 
HETATM 94  O  "O3'" . 5BU A 1 5  ? -1.014  9.623  -0.656  1.00 14.10 ? 5   5BU A "O3'" 1 
HETATM 95  C  "C2'" . 5BU A 1 5  ? -3.093  10.067 0.597   1.00 14.03 ? 5   5BU A "C2'" 1 
HETATM 96  O  "O2'" . 5BU A 1 5  ? -2.639  9.189  1.615   1.00 15.43 ? 5   5BU A "O2'" 1 
HETATM 97  C  "C1'" . 5BU A 1 5  ? -3.575  11.338 1.286   1.00 12.64 ? 5   5BU A "C1'" 1 
HETATM 98  N  N1    . 5BU A 1 5  ? -4.640  12.018 0.525   1.00 10.74 ? 5   5BU A N1    1 
HETATM 99  C  C2    . 5BU A 1 5  ? -6.033  11.573 0.677   1.00 13.37 ? 5   5BU A C2    1 
HETATM 100 O  O2    . 5BU A 1 5  ? -6.282  10.656 1.384   1.00 13.73 ? 5   5BU A O2    1 
HETATM 101 N  N3    . 5BU A 1 5  ? -7.105  12.285 -0.074  1.00 10.43 ? 5   5BU A N3    1 
HETATM 102 C  C4    . 5BU A 1 5  ? -6.790  13.390 -0.949  1.00 9.28  ? 5   5BU A C4    1 
HETATM 103 O  O4    . 5BU A 1 5  ? -7.635  13.974 -1.545  1.00 10.06 ? 5   5BU A O4    1 
HETATM 104 C  C5    . 5BU A 1 5  ? -5.373  13.785 -1.061  1.00 11.11 ? 5   5BU A C5    1 
HETATM 105 C  C6    . 5BU A 1 5  ? -4.306  13.107 -0.334  1.00 11.71 ? 5   5BU A C6    1 
HETATM 106 BR BR    . 5BU A 1 5  ? -4.858  15.205 -2.209  0.55 11.18 ? 5   5BU A BR    1 
ATOM   107 P  P     . C   A 1 6  ? -1.137  9.011  -2.136  1.00 16.25 ? 6   C   A P     1 
ATOM   108 O  OP1   . C   A 1 6  ? 0.031   8.105  -2.355  1.00 18.92 ? 6   C   A OP1   1 
ATOM   109 O  OP2   . C   A 1 6  ? -1.386  10.093 -3.108  1.00 16.61 ? 6   C   A OP2   1 
ATOM   110 O  "O5'" . C   A 1 6  ? -2.448  8.106  -2.052  1.00 13.87 ? 6   C   A "O5'" 1 
ATOM   111 C  "C5'" . C   A 1 6  ? -2.504  6.977  -1.199  1.00 15.91 ? 6   C   A "C5'" 1 
ATOM   112 C  "C4'" . C   A 1 6  ? -3.913  6.465  -1.066  1.00 14.34 ? 6   C   A "C4'" 1 
ATOM   113 O  "O4'" . C   A 1 6  ? -4.764  7.503  -0.511  1.00 11.86 ? 6   C   A "O4'" 1 
ATOM   114 C  "C3'" . C   A 1 6  ? -4.622  6.088  -2.357  1.00 12.84 ? 6   C   A "C3'" 1 
ATOM   115 O  "O3'" . C   A 1 6  ? -4.218  4.840  -2.888  1.00 13.27 ? 6   C   A "O3'" 1 
ATOM   116 C  "C2'" . C   A 1 6  ? -6.080  6.145  -1.938  1.00 16.00 ? 6   C   A "C2'" 1 
ATOM   117 O  "O2'" . C   A 1 6  ? -6.406  5.024  -1.124  1.00 16.60 ? 6   C   A "O2'" 1 
ATOM   118 C  "C1'" . C   A 1 6  ? -6.070  7.387  -1.051  1.00 13.27 ? 6   C   A "C1'" 1 
ATOM   119 N  N1    . C   A 1 6  ? -6.388  8.614  -1.827  1.00 9.42  ? 6   C   A N1    1 
ATOM   120 C  C2    . C   A 1 6  ? -7.731  8.873  -2.103  1.00 11.59 ? 6   C   A C2    1 
ATOM   121 O  O2    . C   A 1 6  ? -8.580  8.080  -1.692  1.00 10.40 ? 6   C   A O2    1 
ATOM   122 N  N3    . C   A 1 6  ? -8.074  9.976  -2.800  1.00 9.18  ? 6   C   A N3    1 
ATOM   123 C  C4    . C   A 1 6  ? -7.130  10.811 -3.226  1.00 8.43  ? 6   C   A C4    1 
ATOM   124 N  N4    . C   A 1 6  ? -7.525  11.888 -3.909  1.00 9.20  ? 6   C   A N4    1 
ATOM   125 C  C5    . C   A 1 6  ? -5.745  10.579 -2.961  1.00 8.98  ? 6   C   A C5    1 
ATOM   126 C  C6    . C   A 1 6  ? -5.421  9.481  -2.263  1.00 9.47  ? 6   C   A C6    1 
ATOM   127 P  P     . G   A 1 7  ? -4.312  4.575  -4.466  1.00 15.26 ? 7   G   A P     1 
ATOM   128 O  OP1   . G   A 1 7  ? -3.642  3.268  -4.713  1.00 19.12 ? 7   G   A OP1   1 
ATOM   129 O  OP2   . G   A 1 7  ? -3.866  5.784  -5.212  1.00 17.97 ? 7   G   A OP2   1 
ATOM   130 O  "O5'" . G   A 1 7  ? -5.866  4.403  -4.748  1.00 11.28 ? 7   G   A "O5'" 1 
ATOM   131 C  "C5'" . G   A 1 7  ? -6.553  3.267  -4.255  1.00 11.25 ? 7   G   A "C5'" 1 
ATOM   132 C  "C4'" . G   A 1 7  ? -7.982  3.257  -4.722  1.00 9.72  ? 7   G   A "C4'" 1 
ATOM   133 O  "O4'" . G   A 1 7  ? -8.704  4.363  -4.122  1.00 10.19 ? 7   G   A "O4'" 1 
ATOM   134 C  "C3'" . G   A 1 7  ? -8.201  3.456  -6.210  1.00 13.39 ? 7   G   A "C3'" 1 
ATOM   135 O  "O3'" . G   A 1 7  ? -7.973  2.285  -6.960  1.00 10.92 ? 7   G   A "O3'" 1 
ATOM   136 C  "C2'" . G   A 1 7  ? -9.641  3.934  -6.246  1.00 9.79  ? 7   G   A "C2'" 1 
ATOM   137 O  "O2'" . G   A 1 7  ? -10.511 2.849  -5.960  1.00 12.23 ? 7   G   A "O2'" 1 
ATOM   138 C  "C1'" . G   A 1 7  ? -9.653  4.863  -5.042  1.00 9.98  ? 7   G   A "C1'" 1 
ATOM   139 N  N9    . G   A 1 7  ? -9.249  6.235  -5.402  1.00 8.25  ? 7   G   A N9    1 
ATOM   140 C  C8    . G   A 1 7  ? -8.020  6.818  -5.194  1.00 8.88  ? 7   G   A C8    1 
ATOM   141 N  N7    . G   A 1 7  ? -7.961  8.059  -5.607  1.00 10.91 ? 7   G   A N7    1 
ATOM   142 C  C5    . G   A 1 7  ? -9.230  8.304  -6.117  1.00 6.61  ? 7   G   A C5    1 
ATOM   143 C  C6    . G   A 1 7  ? -9.773  9.474  -6.716  1.00 7.18  ? 7   G   A C6    1 
ATOM   144 O  O6    . G   A 1 7  ? -9.223  10.565 -6.898  1.00 8.63  ? 7   G   A O6    1 
ATOM   145 N  N1    . G   A 1 7  ? -11.099 9.297  -7.097  1.00 7.16  ? 7   G   A N1    1 
ATOM   146 C  C2    . G   A 1 7  ? -11.814 8.137  -6.938  1.00 6.66  ? 7   G   A C2    1 
ATOM   147 N  N2    . G   A 1 7  ? -13.089 8.136  -7.360  1.00 8.68  ? 7   G   A N2    1 
ATOM   148 N  N3    . G   A 1 7  ? -11.316 7.041  -6.384  1.00 8.28  ? 7   G   A N3    1 
ATOM   149 C  C4    . G   A 1 7  ? -10.035 7.196  -6.001  1.00 7.65  ? 7   G   A C4    1 
ATOM   150 P  P     . A   A 1 8  ? -7.438  2.399  -8.467  1.00 12.42 ? 8   A   A P     1 
ATOM   151 O  OP1   . A   A 1 8  ? -7.209  1.007  -8.941  1.00 14.19 ? 8   A   A OP1   1 
ATOM   152 O  OP2   . A   A 1 8  ? -6.381  3.410  -8.588  1.00 14.35 ? 8   A   A OP2   1 
ATOM   153 O  "O5'" . A   A 1 8  ? -8.683  2.986  -9.264  1.00 13.34 ? 8   A   A "O5'" 1 
ATOM   154 C  "C5'" . A   A 1 8  ? -9.843  2.199  -9.438  1.00 12.73 ? 8   A   A "C5'" 1 
ATOM   155 C  "C4'" . A   A 1 8  ? -10.974 3.004  -10.013 1.00 12.46 ? 8   A   A "C4'" 1 
ATOM   156 O  "O4'" . A   A 1 8  ? -11.325 4.097  -9.121  1.00 10.57 ? 8   A   A "O4'" 1 
ATOM   157 C  "C3'" . A   A 1 8  ? -10.717 3.708  -11.332 1.00 11.98 ? 8   A   A "C3'" 1 
ATOM   158 O  "O3'" . A   A 1 8  ? -10.706 2.846  -12.455 1.00 13.22 ? 8   A   A "O3'" 1 
ATOM   159 C  "C2'" . A   A 1 8  ? -11.840 4.725  -11.340 1.00 10.02 ? 8   A   A "C2'" 1 
ATOM   160 O  "O2'" . A   A 1 8  ? -13.080 4.069  -11.561 1.00 12.91 ? 8   A   A "O2'" 1 
ATOM   161 C  "C1'" . A   A 1 8  ? -11.785 5.196  -9.890  1.00 10.49 ? 8   A   A "C1'" 1 
ATOM   162 N  N9    . A   A 1 8  ? -10.807 6.287  -9.782  1.00 9.00  ? 8   A   A N9    1 
ATOM   163 C  C8    . A   A 1 8  ? -9.519  6.218  -9.325  1.00 8.78  ? 8   A   A C8    1 
ATOM   164 N  N7    . A   A 1 8  ? -8.863  7.347  -9.403  1.00 9.67  ? 8   A   A N7    1 
ATOM   165 C  C5    . A   A 1 8  ? -9.775  8.219  -9.980  1.00 7.77  ? 8   A   A C5    1 
ATOM   166 C  C6    . A   A 1 8  ? -9.684  9.581  -10.317 1.00 7.66  ? 8   A   A C6    1 
ATOM   167 N  N6    . A   A 1 8  ? -8.587  10.314 -10.119 1.00 8.35  ? 8   A   A N6    1 
ATOM   168 N  N1    . A   A 1 8  ? -10.769 10.167 -10.874 1.00 8.96  ? 8   A   A N1    1 
ATOM   169 C  C2    . A   A 1 8  ? -11.868 9.421  -11.062 1.00 7.80  ? 8   A   A C2    1 
ATOM   170 N  N3    . A   A 1 8  ? -12.076 8.133  -10.774 1.00 8.91  ? 8   A   A N3    1 
ATOM   171 C  C4    . A   A 1 8  ? -10.974 7.581  -10.227 1.00 8.14  ? 8   A   A C4    1 
ATOM   172 P  P     . G   A 1 9  ? -9.760  3.173  -13.715 1.00 13.72 ? 9   G   A P     1 
ATOM   173 O  OP1   . G   A 1 9  ? -9.890  2.006  -14.633 1.00 17.21 ? 9   G   A OP1   1 
ATOM   174 O  OP2   . G   A 1 9  ? -8.409  3.595  -13.276 1.00 16.44 ? 9   G   A OP2   1 
ATOM   175 O  "O5'" . G   A 1 9  ? -10.424 4.459  -14.370 1.00 12.96 ? 9   G   A "O5'" 1 
ATOM   176 C  "C5'" . G   A 1 9  ? -11.750 4.417  -14.856 1.00 11.27 ? 9   G   A "C5'" 1 
ATOM   177 C  "C4'" . G   A 1 9  ? -12.215 5.792  -15.246 1.00 10.66 ? 9   G   A "C4'" 1 
ATOM   178 O  "O4'" . G   A 1 9  ? -12.082 6.706  -14.124 1.00 9.55  ? 9   G   A "O4'" 1 
ATOM   179 C  "C3'" . G   A 1 9  ? -11.422 6.471  -16.345 1.00 9.47  ? 9   G   A "C3'" 1 
ATOM   180 O  "O3'" . G   A 1 9  ? -11.764 5.972  -17.622 1.00 8.90  ? 9   G   A "O3'" 1 
ATOM   181 C  "C2'" . G   A 1 9  ? -11.795 7.929  -16.134 1.00 10.09 ? 9   G   A "C2'" 1 
ATOM   182 O  "O2'" . G   A 1 9  ? -13.118 8.176  -16.592 1.00 10.34 ? 9   G   A "O2'" 1 
ATOM   183 C  "C1'" . G   A 1 9  ? -11.797 8.005  -14.608 1.00 9.51  ? 9   G   A "C1'" 1 
ATOM   184 N  N9    . G   A 1 9  ? -10.480 8.427  -14.092 1.00 9.39  ? 9   G   A N9    1 
ATOM   185 C  C8    . G   A 1 9  ? -9.504  7.666  -13.501 1.00 9.35  ? 9   G   A C8    1 
ATOM   186 N  N7    . G   A 1 9  ? -8.446  8.357  -13.156 1.00 7.74  ? 9   G   A N7    1 
ATOM   187 C  C5    . G   A 1 9  ? -8.731  9.655  -13.553 1.00 7.17  ? 9   G   A C5    1 
ATOM   188 C  C6    . G   A 1 9  ? -7.969  10.854 -13.451 1.00 8.44  ? 9   G   A C6    1 
ATOM   189 O  O6    . G   A 1 9  ? -6.835  11.018 -12.961 1.00 8.89  ? 9   G   A O6    1 
ATOM   190 N  N1    . G   A 1 9  ? -8.645  11.947 -13.991 1.00 8.21  ? 9   G   A N1    1 
ATOM   191 C  C2    . G   A 1 9  ? -9.908  11.883 -14.549 1.00 8.11  ? 9   G   A C2    1 
ATOM   192 N  N2    . G   A 1 9  ? -10.402 13.026 -15.012 1.00 9.32  ? 9   G   A N2    1 
ATOM   193 N  N3    . G   A 1 9  ? -10.625 10.775 -14.654 1.00 9.44  ? 9   G   A N3    1 
ATOM   194 C  C4    . G   A 1 9  ? -9.983  9.706  -14.140 1.00 7.50  ? 9   G   A C4    1 
HETATM 195 C  "C1'" . HHX A 1 10 ? -10.879 11.055 -18.954 1.00 12.24 ? 10  HHX A "C1'" 1 
HETATM 196 C  C2    . HHX A 1 10 ? -8.873  11.983 -17.989 1.00 9.91  ? 10  HHX A C2    1 
HETATM 197 C  "C2'" . HHX A 1 10 ? -10.772 11.217 -20.585 1.00 11.19 ? 10  HHX A "C2'" 1 
HETATM 198 C  "C3'" . HHX A 1 10 ? -11.077 10.065 -21.018 1.00 13.66 ? 10  HHX A "C3'" 1 
HETATM 199 C  C4    . HHX A 1 10 ? -7.356  10.651 -16.867 1.00 7.94  ? 10  HHX A C4    1 
HETATM 200 C  "C4'" . HHX A 1 10 ? -12.092 9.381  -19.994 1.00 12.16 ? 10  HHX A "C4'" 1 
HETATM 201 C  C5    . HHX A 1 10 ? -8.129  9.527  -17.140 1.00 8.47  ? 10  HHX A C5    1 
HETATM 202 C  "C5'" . HHX A 1 10 ? -12.057 7.972  -19.958 1.00 12.77 ? 10  HHX A "C5'" 1 
HETATM 203 C  C6    . HHX A 1 10 ? -9.294  9.703  -17.865 1.00 9.13  ? 10  HHX A C6    1 
HETATM 204 C  "C6'" . HHX A 1 10 ? -13.160 12.340 -20.793 1.00 16.50 ? 10  HHX A "C6'" 1 
HETATM 205 C  "C7'" . HHX A 1 10 ? -11.148 13.636 -21.431 1.00 18.66 ? 10  HHX A "C7'" 1 
HETATM 206 N  N1    . HHX A 1 10 ? -9.631  10.920 -18.269 1.00 7.93  ? 10  HHX A N1    1 
HETATM 207 N  "N2'" . HHX A 1 10 ? -11.716 12.394 -20.944 1.00 12.00 ? 10  HHX A "N2'" 1 
HETATM 208 N  N3    . HHX A 1 10 ? -7.747  11.837 -17.310 1.00 7.63  ? 10  HHX A N3    1 
HETATM 209 O  O2    . HHX A 1 10 ? -9.171  13.078 -18.364 1.00 10.53 ? 10  HHX A O2    1 
HETATM 210 O  "O3'" . HHX A 1 10 ? -11.741 10.068 -22.350 1.00 12.97 ? 10  HHX A "O3'" 1 
HETATM 211 O  O4    . HHX A 1 10 ? -6.176  10.527 -16.141 1.00 10.67 ? 10  HHX A O4    1 
HETATM 212 O  "O4'" . HHX A 1 10 ? -11.661 10.012 -18.709 1.00 10.56 ? 10  HHX A "O4'" 1 
HETATM 213 O  "O5'" . HHX A 1 10 ? -10.838 7.479  -19.484 1.00 9.95  ? 10  HHX A "O5'" 1 
HETATM 214 O  "O6'" . HHX A 1 10 ? -11.869 14.542 -21.700 1.00 21.36 ? 10  HHX A "O6'" 1 
HETATM 215 O  OP1   . HHX A 1 10 ? -11.205 4.914  -19.797 1.00 11.48 ? 10  HHX A OP1   1 
HETATM 216 O  OP2   . HHX A 1 10 ? -9.303  5.775  -18.363 1.00 11.23 ? 10  HHX A OP2   1 
HETATM 217 P  P     . HHX A 1 10 ? -10.716 5.973  -18.837 1.00 10.23 ? 10  HHX A P     1 
ATOM   218 P  P     . C   A 1 11 ? -10.819 10.117 -23.643 1.00 15.24 ? 11  C   A P     1 
ATOM   219 O  OP1   . C   A 1 11 ? -11.672 10.358 -24.833 1.00 20.08 ? 11  C   A OP1   1 
ATOM   220 O  OP2   . C   A 1 11 ? -9.897  8.975  -23.610 1.00 13.32 ? 11  C   A OP2   1 
ATOM   221 O  "O5'" . C   A 1 11 ? -9.935  11.404 -23.379 1.00 13.11 ? 11  C   A "O5'" 1 
ATOM   222 C  "C5'" . C   A 1 11 ? -8.582  11.449 -23.772 1.00 14.05 ? 11  C   A "C5'" 1 
ATOM   223 C  "C4'" . C   A 1 11 ? -7.983  12.759 -23.351 1.00 12.10 ? 11  C   A "C4'" 1 
ATOM   224 O  "O4'" . C   A 1 11 ? -7.980  12.860 -21.904 1.00 11.91 ? 11  C   A "O4'" 1 
ATOM   225 C  "C3'" . C   A 1 11 ? -6.541  12.977 -23.744 1.00 11.90 ? 11  C   A "C3'" 1 
ATOM   226 O  "O3'" . C   A 1 11 ? -6.432  13.423 -25.080 1.00 12.05 ? 11  C   A "O3'" 1 
ATOM   227 C  "C2'" . C   A 1 11 ? -6.069  13.999 -22.722 1.00 11.55 ? 11  C   A "C2'" 1 
ATOM   228 O  "O2'" . C   A 1 11 ? -6.544  15.291 -23.067 1.00 13.31 ? 11  C   A "O2'" 1 
ATOM   229 C  "C1'" . C   A 1 11 ? -6.823  13.545 -21.474 1.00 9.29  ? 11  C   A "C1'" 1 
ATOM   230 N  N1    . C   A 1 11 ? -6.029  12.641 -20.607 1.00 10.01 ? 11  C   A N1    1 
ATOM   231 C  C2    . C   A 1 11 ? -4.989  13.184 -19.851 1.00 9.39  ? 11  C   A C2    1 
ATOM   232 O  O2    . C   A 1 11 ? -4.777  14.398 -19.966 1.00 11.06 ? 11  C   A O2    1 
ATOM   233 N  N3    . C   A 1 11 ? -4.263  12.384 -19.043 1.00 9.50  ? 11  C   A N3    1 
ATOM   234 C  C4    . C   A 1 11 ? -4.539  11.083 -18.951 1.00 9.90  ? 11  C   A C4    1 
ATOM   235 N  N4    . C   A 1 11 ? -3.792  10.325 -18.141 1.00 9.70  ? 11  C   A N4    1 
ATOM   236 C  C5    . C   A 1 11 ? -5.593  10.502 -19.715 1.00 9.77  ? 11  C   A C5    1 
ATOM   237 C  C6    . C   A 1 11 ? -6.308  11.302 -20.513 1.00 11.02 ? 11  C   A C6    1 
ATOM   238 P  P     . C   A 1 12 ? -5.155  13.016 -25.959 1.00 12.24 ? 12  C   A P     1 
ATOM   239 O  OP1   . C   A 1 12 ? -5.420  13.454 -27.350 1.00 14.94 ? 12  C   A OP1   1 
ATOM   240 O  OP2   . C   A 1 12 ? -4.808  11.602 -25.704 1.00 14.26 ? 12  C   A OP2   1 
ATOM   241 O  "O5'" . C   A 1 12 ? -3.987  13.896 -25.343 1.00 10.10 ? 12  C   A "O5'" 1 
ATOM   242 C  "C5'" . C   A 1 12 ? -3.945  15.297 -25.549 1.00 9.36  ? 12  C   A "C5'" 1 
ATOM   243 C  "C4'" . C   A 1 12 ? -2.650  15.846 -25.021 1.00 9.56  ? 12  C   A "C4'" 1 
ATOM   244 O  "O4'" . C   A 1 12 ? -2.627  15.723 -23.577 1.00 9.20  ? 12  C   A "O4'" 1 
ATOM   245 C  "C3'" . C   A 1 12 ? -1.401  15.106 -25.459 1.00 11.14 ? 12  C   A "C3'" 1 
ATOM   246 O  "O3'" . C   A 1 12 ? -0.988  15.450 -26.770 1.00 11.18 ? 12  C   A "O3'" 1 
ATOM   247 C  "C2'" . C   A 1 12 ? -0.403  15.489 -24.379 1.00 9.56  ? 12  C   A "C2'" 1 
ATOM   248 O  "O2'" . C   A 1 12 ? 0.058   16.820 -24.592 1.00 10.57 ? 12  C   A "O2'" 1 
ATOM   249 C  "C1'" . C   A 1 12 ? -1.299  15.502 -23.140 1.00 8.31  ? 12  C   A "C1'" 1 
ATOM   250 N  N1    . C   A 1 12 ? -1.253  14.237 -22.362 1.00 7.99  ? 12  C   A N1    1 
ATOM   251 C  C2    . C   A 1 12 ? -0.242  14.068 -21.423 1.00 8.64  ? 12  C   A C2    1 
ATOM   252 O  O2    . C   A 1 12 ? 0.605   14.960 -21.292 1.00 10.87 ? 12  C   A O2    1 
ATOM   253 N  N3    . C   A 1 12 ? -0.191  12.936 -20.686 1.00 7.91  ? 12  C   A N3    1 
ATOM   254 C  C4    . C   A 1 12 ? -1.120  12.002 -20.851 1.00 7.53  ? 12  C   A C4    1 
ATOM   255 N  N4    . C   A 1 12 ? -1.038  10.906 -20.087 1.00 9.17  ? 12  C   A N4    1 
ATOM   256 C  C5    . C   A 1 12 ? -2.171  12.134 -21.798 1.00 8.19  ? 12  C   A C5    1 
ATOM   257 C  C6    . C   A 1 12 ? -2.208  13.263 -22.524 1.00 8.65  ? 12  C   A C6    1 
ATOM   258 O  "O5'" . G   B 1 1  ? 5.697   10.696 -12.717 1.00 15.46 ? 1   G   B "O5'" 1 
ATOM   259 C  "C5'" . G   B 1 1  ? 6.824   11.536 -12.527 1.00 14.93 ? 1   G   B "C5'" 1 
ATOM   260 C  "C4'" . G   B 1 1  ? 6.887   12.614 -13.579 1.00 11.89 ? 1   G   B "C4'" 1 
ATOM   261 O  "O4'" . G   B 1 1  ? 6.897   12.010 -14.902 1.00 12.86 ? 1   G   B "O4'" 1 
ATOM   262 C  "C3'" . G   B 1 1  ? 5.702   13.561 -13.619 1.00 12.60 ? 1   G   B "C3'" 1 
ATOM   263 O  "O3'" . G   B 1 1  ? 5.789   14.578 -12.645 1.00 12.32 ? 1   G   B "O3'" 1 
ATOM   264 C  "C2'" . G   B 1 1  ? 5.740   14.069 -15.051 1.00 10.62 ? 1   G   B "C2'" 1 
ATOM   265 O  "O2'" . G   B 1 1  ? 6.771   15.038 -15.209 1.00 12.10 ? 1   G   B "O2'" 1 
ATOM   266 C  "C1'" . G   B 1 1  ? 6.136   12.797 -15.796 1.00 13.21 ? 1   G   B "C1'" 1 
ATOM   267 N  N9    . G   B 1 1  ? 4.939   12.024 -16.181 1.00 10.28 ? 1   G   B N9    1 
ATOM   268 C  C8    . G   B 1 1  ? 4.523   10.826 -15.655 1.00 11.32 ? 1   G   B C8    1 
ATOM   269 N  N7    . G   B 1 1  ? 3.418   10.385 -16.181 1.00 9.66  ? 1   G   B N7    1 
ATOM   270 C  C5    . G   B 1 1  ? 3.062   11.369 -17.106 1.00 9.05  ? 1   G   B C5    1 
ATOM   271 C  C6    . G   B 1 1  ? 1.957   11.464 -17.990 1.00 8.17  ? 1   G   B C6    1 
ATOM   272 O  O6    . G   B 1 1  ? 1.016   10.673 -18.134 1.00 9.33  ? 1   G   B O6    1 
ATOM   273 N  N1    . G   B 1 1  ? 2.005   12.631 -18.751 1.00 8.73  ? 1   G   B N1    1 
ATOM   274 C  C2    . G   B 1 1  ? 2.980   13.588 -18.683 1.00 10.03 ? 1   G   B C2    1 
ATOM   275 N  N2    . G   B 1 1  ? 2.846   14.646 -19.501 1.00 10.47 ? 1   G   B N2    1 
ATOM   276 N  N3    . G   B 1 1  ? 4.019   13.508 -17.869 1.00 9.57  ? 1   G   B N3    1 
ATOM   277 C  C4    . G   B 1 1  ? 3.992   12.383 -17.119 1.00 9.87  ? 1   G   B C4    1 
ATOM   278 P  P     . G   B 1 2  ? 4.460   15.151 -11.957 1.00 13.39 ? 2   G   B P     1 
ATOM   279 O  OP1   . G   B 1 2  ? 4.903   16.158 -10.950 1.00 14.30 ? 2   G   B OP1   1 
ATOM   280 O  OP2   . G   B 1 2  ? 3.628   14.006 -11.519 1.00 13.55 ? 2   G   B OP2   1 
ATOM   281 O  "O5'" . G   B 1 2  ? 3.685   15.869 -13.145 1.00 12.01 ? 2   G   B "O5'" 1 
ATOM   282 C  "C5'" . G   B 1 2  ? 4.239   16.998 -13.788 1.00 13.22 ? 2   G   B "C5'" 1 
ATOM   283 C  "C4'" . G   B 1 2  ? 3.315   17.488 -14.860 1.00 12.33 ? 2   G   B "C4'" 1 
ATOM   284 O  "O4'" . G   B 1 2  ? 3.273   16.536 -15.959 1.00 11.70 ? 2   G   B "O4'" 1 
ATOM   285 C  "C3'" . G   B 1 2  ? 1.858   17.619 -14.465 1.00 12.28 ? 2   G   B "C3'" 1 
ATOM   286 O  "O3'" . G   B 1 2  ? 1.597   18.740 -13.634 1.00 11.43 ? 2   G   B "O3'" 1 
ATOM   287 C  "C2'" . G   B 1 2  ? 1.189   17.649 -15.828 1.00 10.00 ? 2   G   B "C2'" 1 
ATOM   288 O  "O2'" . G   B 1 2  ? 1.462   18.876 -16.487 1.00 11.77 ? 2   G   B "O2'" 1 
ATOM   289 C  "C1'" . G   B 1 2  ? 1.979   16.551 -16.540 1.00 10.76 ? 2   G   B "C1'" 1 
ATOM   290 N  N9    . G   B 1 2  ? 1.322   15.252 -16.315 1.00 9.09  ? 2   G   B N9    1 
ATOM   291 C  C8    . G   B 1 2  ? 1.634   14.252 -15.423 1.00 9.71  ? 2   G   B C8    1 
ATOM   292 N  N7    . G   B 1 2  ? 0.802   13.244 -15.459 1.00 10.72 ? 2   G   B N7    1 
ATOM   293 C  C5    . G   B 1 2  ? -0.135  13.613 -16.416 1.00 8.31  ? 2   G   B C5    1 
ATOM   294 C  C6    . G   B 1 2  ? -1.289  12.940 -16.903 1.00 8.77  ? 2   G   B C6    1 
ATOM   295 O  O6    . G   B 1 2  ? -1.737  11.837 -16.577 1.00 9.77  ? 2   G   B O6    1 
ATOM   296 N  N1    . G   B 1 2  ? -1.947  13.680 -17.876 1.00 7.66  ? 2   G   B N1    1 
ATOM   297 C  C2    . G   B 1 2  ? -1.568  14.919 -18.328 1.00 8.37  ? 2   G   B C2    1 
ATOM   298 N  N2    . G   B 1 2  ? -2.337  15.472 -19.260 1.00 9.03  ? 2   G   B N2    1 
ATOM   299 N  N3    . G   B 1 2  ? -0.497  15.560 -17.894 1.00 10.28 ? 2   G   B N3    1 
ATOM   300 C  C4    . G   B 1 2  ? 0.164   14.854 -16.941 1.00 8.34  ? 2   G   B C4    1 
ATOM   301 P  P     . A   B 1 3  ? 0.338   18.753 -12.635 1.00 11.09 ? 3   A   B P     1 
ATOM   302 O  OP1   . A   B 1 3  ? 0.510   19.981 -11.804 1.00 14.07 ? 3   A   B OP1   1 
ATOM   303 O  OP2   . A   B 1 3  ? 0.168   17.438 -11.997 1.00 10.67 ? 3   A   B OP2   1 
ATOM   304 O  "O5'" . A   B 1 3  ? -0.896  18.948 -13.614 1.00 9.24  ? 3   A   B "O5'" 1 
ATOM   305 C  "C5'" . A   B 1 3  ? -1.016  20.150 -14.346 1.00 9.81  ? 3   A   B "C5'" 1 
ATOM   306 C  "C4'" . A   B 1 3  ? -2.265  20.151 -15.173 1.00 8.60  ? 3   A   B "C4'" 1 
ATOM   307 O  "O4'" . A   B 1 3  ? -2.189  19.117 -16.184 1.00 8.75  ? 3   A   B "O4'" 1 
ATOM   308 C  "C3'" . A   B 1 3  ? -3.550  19.827 -14.437 1.00 8.96  ? 3   A   B "C3'" 1 
ATOM   309 O  "O3'" . A   B 1 3  ? -4.047  20.922 -13.702 1.00 8.34  ? 3   A   B "O3'" 1 
ATOM   310 C  "C2'" . A   B 1 3  ? -4.454  19.421 -15.579 1.00 7.73  ? 3   A   B "C2'" 1 
ATOM   311 O  "O2'" . A   B 1 3  ? -4.812  20.583 -16.313 1.00 8.62  ? 3   A   B "O2'" 1 
ATOM   312 C  "C1'" . A   B 1 3  ? -3.482  18.595 -16.419 1.00 7.85  ? 3   A   B "C1'" 1 
ATOM   313 N  N9    . A   B 1 3  ? -3.494  17.178 -16.004 1.00 8.43  ? 3   A   B N9    1 
ATOM   314 C  C8    . A   B 1 3  ? -2.612  16.529 -15.187 1.00 8.27  ? 3   A   B C8    1 
ATOM   315 N  N7    . A   B 1 3  ? -2.879  15.256 -14.987 1.00 8.99  ? 3   A   B N7    1 
ATOM   316 C  C5    . A   B 1 3  ? -4.040  15.063 -15.725 1.00 7.20  ? 3   A   B C5    1 
ATOM   317 C  C6    . A   B 1 3  ? -4.843  13.929 -15.911 1.00 7.51  ? 3   A   B C6    1 
ATOM   318 N  N6    . A   B 1 3  ? -4.560  12.747 -15.358 1.00 9.62  ? 3   A   B N6    1 
ATOM   319 N  N1    . A   B 1 3  ? -5.937  14.055 -16.700 1.00 7.39  ? 3   A   B N1    1 
ATOM   320 C  C2    . A   B 1 3  ? -6.200  15.244 -17.247 1.00 7.43  ? 3   A   B C2    1 
ATOM   321 N  N3    . A   B 1 3  ? -5.513  16.383 -17.135 1.00 9.19  ? 3   A   B N3    1 
ATOM   322 C  C4    . A   B 1 3  ? -4.433  16.226 -16.349 1.00 7.58  ? 3   A   B C4    1 
ATOM   323 P  P     . C   B 1 4  ? -4.751  20.708 -12.271 1.00 10.11 ? 4   C   B P     1 
ATOM   324 O  OP1   . C   B 1 4  ? -4.827  22.070 -11.670 1.00 13.02 ? 4   C   B OP1   1 
ATOM   325 O  OP2   . C   B 1 4  ? -4.121  19.592 -11.510 1.00 11.06 ? 4   C   B OP2   1 
ATOM   326 O  "O5'" . C   B 1 4  ? -6.227  20.228 -12.630 1.00 9.07  ? 4   C   B "O5'" 1 
ATOM   327 C  "C5'" . C   B 1 4  ? -7.074  21.031 -13.442 1.00 11.00 ? 4   C   B "C5'" 1 
ATOM   328 C  "C4'" . C   B 1 4  ? -8.118  20.200 -14.153 1.00 11.19 ? 4   C   B "C4'" 1 
ATOM   329 O  "O4'" . C   B 1 4  ? -7.481  19.130 -14.899 1.00 10.34 ? 4   C   B "O4'" 1 
ATOM   330 C  "C3'" . C   B 1 4  ? -9.135  19.484 -13.276 1.00 11.40 ? 4   C   B "C3'" 1 
ATOM   331 O  "O3'" . C   B 1 4  ? -10.185 20.340 -12.866 1.00 10.60 ? 4   C   B "O3'" 1 
ATOM   332 C  "C2'" . C   B 1 4  ? -9.600  18.347 -14.175 1.00 11.77 ? 4   C   B "C2'" 1 
ATOM   333 O  "O2'" . C   B 1 4  ? -10.514 18.827 -15.152 1.00 13.49 ? 4   C   B "O2'" 1 
ATOM   334 C  "C1'" . C   B 1 4  ? -8.299  17.979 -14.886 1.00 11.06 ? 4   C   B "C1'" 1 
ATOM   335 N  N1    . C   B 1 4  ? -7.577  16.881 -14.201 1.00 9.41  ? 4   C   B N1    1 
ATOM   336 C  C2    . C   B 1 4  ? -8.067  15.585 -14.363 1.00 10.40 ? 4   C   B C2    1 
ATOM   337 O  O2    . C   B 1 4  ? -9.079  15.421 -15.060 1.00 12.38 ? 4   C   B O2    1 
ATOM   338 N  N3    . C   B 1 4  ? -7.447  14.546 -13.765 1.00 7.30  ? 4   C   B N3    1 
ATOM   339 C  C4    . C   B 1 4  ? -6.363  14.764 -13.019 1.00 7.66  ? 4   C   B C4    1 
ATOM   340 N  N4    . C   B 1 4  ? -5.786  13.704 -12.442 1.00 9.64  ? 4   C   B N4    1 
ATOM   341 C  C5    . C   B 1 4  ? -5.827  16.076 -12.840 1.00 9.29  ? 4   C   B C5    1 
ATOM   342 C  C6    . C   B 1 4  ? -6.463  17.093 -13.435 1.00 8.78  ? 4   C   B C6    1 
HETATM 343 P  P     . 5BU B 1 5  ? -11.078 20.004 -11.572 1.00 12.78 ? 5   5BU B P     1 
HETATM 344 O  OP1   . 5BU B 1 5  ? -11.975 21.201 -11.373 1.00 15.92 ? 5   5BU B OP1   1 
HETATM 345 O  OP2   . 5BU B 1 5  ? -10.214 19.552 -10.431 1.00 14.11 ? 5   5BU B OP2   1 
HETATM 346 O  "O5'" . 5BU B 1 5  ? -11.981 18.762 -12.003 1.00 10.92 ? 5   5BU B "O5'" 1 
HETATM 347 C  "C5'" . 5BU B 1 5  ? -12.996 18.889 -12.983 1.00 10.69 ? 5   5BU B "C5'" 1 
HETATM 348 C  "C4'" . 5BU B 1 5  ? -13.725 17.586 -13.176 1.00 12.17 ? 5   5BU B "C4'" 1 
HETATM 349 O  "O4'" . 5BU B 1 5  ? -12.817 16.589 -13.710 1.00 11.60 ? 5   5BU B "O4'" 1 
HETATM 350 C  "C3'" . 5BU B 1 5  ? -14.269 16.922 -11.923 1.00 11.47 ? 5   5BU B "C3'" 1 
HETATM 351 O  "O3'" . 5BU B 1 5  ? -15.461 17.515 -11.448 1.00 10.51 ? 5   5BU B "O3'" 1 
HETATM 352 C  "C2'" . 5BU B 1 5  ? -14.432 15.478 -12.379 1.00 11.18 ? 5   5BU B "C2'" 1 
HETATM 353 O  "O2'" . 5BU B 1 5  ? -15.537 15.339 -13.264 1.00 11.66 ? 5   5BU B "O2'" 1 
HETATM 354 C  "C1'" . 5BU B 1 5  ? -13.182 15.312 -13.226 1.00 10.47 ? 5   5BU B "C1'" 1 
HETATM 355 N  N1    . 5BU B 1 5  ? -12.047 14.771 -12.468 1.00 9.92  ? 5   5BU B N1    1 
HETATM 356 C  C2    . 5BU B 1 5  ? -11.964 13.321 -12.267 1.00 10.28 ? 5   5BU B C2    1 
HETATM 357 O  O2    . 5BU B 1 5  ? -12.840 12.640 -12.671 1.00 13.05 ? 5   5BU B O2    1 
HETATM 358 N  N3    . 5BU B 1 5  ? -10.798 12.742 -11.547 1.00 10.65 ? 5   5BU B N3    1 
HETATM 359 C  C4    . 5BU B 1 5  ? -9.762  13.607 -11.056 1.00 10.71 ? 5   5BU B C4    1 
HETATM 360 O  O4    . 5BU B 1 5  ? -8.825  13.162 -10.494 1.00 10.93 ? 5   5BU B O4    1 
HETATM 361 C  C5    . 5BU B 1 5  ? -9.899  15.058 -11.276 1.00 10.02 ? 5   5BU B C5    1 
HETATM 362 C  C6    . 5BU B 1 5  ? -11.025 15.649 -11.988 1.00 10.57 ? 5   5BU B C6    1 
HETATM 363 BR BR    . 5BU B 1 5  ? -8.568  16.255 -10.635 0.49 10.36 ? 5   5BU B BR    1 
ATOM   364 P  P     . C   B 1 6  ? -15.766 17.558 -9.878  1.00 11.47 ? 6   C   B P     1 
ATOM   365 O  OP1   . C   B 1 6  ? -16.948 18.447 -9.700  1.00 12.66 ? 6   C   B OP1   1 
ATOM   366 O  OP2   . C   B 1 6  ? -14.517 17.856 -9.145  1.00 11.87 ? 6   C   B OP2   1 
ATOM   367 O  "O5'" . C   B 1 6  ? -16.166 16.062 -9.518  1.00 10.95 ? 6   C   B "O5'" 1 
ATOM   368 C  "C5'" . C   B 1 6  ? -17.315 15.465 -10.094 1.00 11.14 ? 6   C   B "C5'" 1 
ATOM   369 C  "C4'" . C   B 1 6  ? -17.334 13.983 -9.851  1.00 11.20 ? 6   C   B "C4'" 1 
ATOM   370 O  "O4'" . C   B 1 6  ? -16.195 13.363 -10.503 1.00 9.38  ? 6   C   B "O4'" 1 
ATOM   371 C  "C3'" . C   B 1 6  ? -17.199 13.527 -8.406  1.00 9.66  ? 6   C   B "C3'" 1 
ATOM   372 O  "O3'" . C   B 1 6  ? -18.391 13.655 -7.657  1.00 10.90 ? 6   C   B "O3'" 1 
ATOM   373 C  "C2'" . C   B 1 6  ? -16.751 12.090 -8.584  1.00 7.97  ? 6   C   B "C2'" 1 
ATOM   374 O  "O2'" . C   B 1 6  ? -17.847 11.296 -9.035  1.00 9.61  ? 6   C   B "O2'" 1 
ATOM   375 C  "C1'" . C   B 1 6  ? -15.768 12.246 -9.742  1.00 9.72  ? 6   C   B "C1'" 1 
ATOM   376 N  N1    . C   B 1 6  ? -14.393 12.499 -9.246  1.00 7.98  ? 6   C   B N1    1 
ATOM   377 C  C2    . C   B 1 6  ? -13.658 11.395 -8.811  1.00 8.04  ? 6   C   B C2    1 
ATOM   378 O  O2    . C   B 1 6  ? -14.179 10.275 -8.863  1.00 9.49  ? 6   C   B O2    1 
ATOM   379 N  N3    . C   B 1 6  ? -12.404 11.583 -8.346  1.00 6.99  ? 6   C   B N3    1 
ATOM   380 C  C4    . C   B 1 6  ? -11.875 12.804 -8.313  1.00 7.03  ? 6   C   B C4    1 
ATOM   381 N  N4    . C   B 1 6  ? -10.631 12.936 -7.847  1.00 8.62  ? 6   C   B N4    1 
ATOM   382 C  C5    . C   B 1 6  ? -12.599 13.955 -8.732  1.00 9.00  ? 6   C   B C5    1 
ATOM   383 C  C6    . C   B 1 6  ? -13.846 13.754 -9.189  1.00 9.35  ? 6   C   B C6    1 
ATOM   384 P  P     . G   B 1 7  ? -18.316 13.890 -6.069  1.00 12.87 ? 7   G   B P     1 
ATOM   385 O  OP1   . G   B 1 7  ? -19.701 14.153 -5.595  1.00 18.09 ? 7   G   B OP1   1 
ATOM   386 O  OP2   . G   B 1 7  ? -17.257 14.881 -5.782  1.00 14.02 ? 7   G   B OP2   1 
ATOM   387 O  "O5'" . G   B 1 7  ? -17.828 12.495 -5.492  1.00 11.06 ? 7   G   B "O5'" 1 
ATOM   388 C  "C5'" . G   B 1 7  ? -18.611 11.326 -5.649  1.00 10.89 ? 7   G   B "C5'" 1 
ATOM   389 C  "C4'" . G   B 1 7  ? -17.842 10.118 -5.199  1.00 10.71 ? 7   G   B "C4'" 1 
ATOM   390 O  "O4'" . G   B 1 7  ? -16.609 10.037 -5.954  1.00 10.16 ? 7   G   B "O4'" 1 
ATOM   391 C  "C3'" . G   B 1 7  ? -17.380 10.143 -3.753  1.00 12.79 ? 7   G   B "C3'" 1 
ATOM   392 O  "O3'" . G   B 1 7  ? -18.398 9.744  -2.859  1.00 12.71 ? 7   G   B "O3'" 1 
ATOM   393 C  "C2'" . G   B 1 7  ? -16.187 9.205  -3.771  1.00 10.88 ? 7   G   B "C2'" 1 
ATOM   394 O  "O2'" . G   B 1 7  ? -16.608 7.848  -3.775  1.00 11.43 ? 7   G   B "O2'" 1 
ATOM   395 C  "C1'" . G   B 1 7  ? -15.580 9.529  -5.132  1.00 9.93  ? 7   G   B "C1'" 1 
ATOM   396 N  N9    . G   B 1 7  ? -14.496 10.520 -5.050  1.00 9.11  ? 7   G   B N9    1 
ATOM   397 C  C8    . G   B 1 7  ? -14.478 11.819 -5.504  1.00 9.36  ? 7   G   B C8    1 
ATOM   398 N  N7    . G   B 1 7  ? -13.328 12.411 -5.308  1.00 8.48  ? 7   G   B N7    1 
ATOM   399 C  C5    . G   B 1 7  ? -12.550 11.430 -4.692  1.00 6.09  ? 7   G   B C5    1 
ATOM   400 C  C6    . G   B 1 7  ? -11.213 11.470 -4.236  1.00 6.67  ? 7   G   B C6    1 
ATOM   401 O  O6    . G   B 1 7  ? -10.434 12.423 -4.319  1.00 8.52  ? 7   G   B O6    1 
ATOM   402 N  N1    . G   B 1 7  ? -10.817 10.252 -3.673  1.00 8.31  ? 7   G   B N1    1 
ATOM   403 C  C2    . G   B 1 7  ? -11.619 9.143  -3.550  1.00 8.33  ? 7   G   B C2    1 
ATOM   404 N  N2    . G   B 1 7  ? -11.091 8.053  -2.960  1.00 8.58  ? 7   G   B N2    1 
ATOM   405 N  N3    . G   B 1 7  ? -12.871 9.101  -3.976  1.00 7.93  ? 7   G   B N3    1 
ATOM   406 C  C4    . G   B 1 7  ? -13.257 10.269 -4.531  1.00 7.81  ? 7   G   B C4    1 
ATOM   407 P  P     . A   B 1 8  ? -18.383 10.249 -1.338  1.00 14.26 ? 8   A   B P     1 
ATOM   408 O  OP1   . A   B 1 8  ? -19.604 9.676  -0.724  1.00 19.39 ? 8   A   B OP1   1 
ATOM   409 O  OP2   . A   B 1 8  ? -18.145 11.701 -1.282  1.00 17.07 ? 8   A   B OP2   1 
ATOM   410 O  "O5'" . A   B 1 8  ? -17.119 9.535  -0.693  1.00 10.95 ? 8   A   B "O5'" 1 
ATOM   411 C  "C5'" . A   B 1 8  ? -17.137 8.150  -0.404  1.00 12.01 ? 8   A   B "C5'" 1 
ATOM   412 C  "C4'" . A   B 1 8  ? -15.943 7.790  0.432   1.00 9.31  ? 8   A   B "C4'" 1 
ATOM   413 O  "O4'" . A   B 1 8  ? -14.735 7.844  -0.373  1.00 9.57  ? 8   A   B "O4'" 1 
ATOM   414 C  "C3'" . A   B 1 8  ? -15.645 8.739  1.574   1.00 10.80 ? 8   A   B "C3'" 1 
ATOM   415 O  "O3'" . A   B 1 8  ? -16.511 8.576  2.685   1.00 10.18 ? 8   A   B "O3'" 1 
ATOM   416 C  "C2'" . A   B 1 8  ? -14.180 8.445  1.858   1.00 8.60  ? 8   A   B "C2'" 1 
ATOM   417 O  "O2'" . A   B 1 8  ? -14.038 7.213  2.560   1.00 12.19 ? 8   A   B "O2'" 1 
ATOM   418 C  "C1'" . A   B 1 8  ? -13.648 8.260  0.436   1.00 8.85  ? 8   A   B "C1'" 1 
ATOM   419 N  N9    . A   B 1 8  ? -13.114 9.517  -0.112  1.00 9.63  ? 8   A   B N9    1 
ATOM   420 C  C8    . A   B 1 8  ? -13.781 10.468 -0.840  1.00 8.93  ? 8   A   B C8    1 
ATOM   421 N  N7    . A   B 1 8  ? -13.036 11.494 -1.192  1.00 10.06 ? 8   A   B N7    1 
ATOM   422 C  C5    . A   B 1 8  ? -11.788 11.194 -0.671  1.00 8.63  ? 8   A   B C5    1 
ATOM   423 C  C6    . A   B 1 8  ? -10.560 11.886 -0.686  1.00 8.59  ? 8   A   B C6    1 
ATOM   424 N  N6    . A   B 1 8  ? -10.356 13.059 -1.290  1.00 9.76  ? 8   A   B N6    1 
ATOM   425 N  N1    . A   B 1 8  ? -9.518  11.295 -0.057  1.00 10.53 ? 8   A   B N1    1 
ATOM   426 C  C2    . A   B 1 8  ? -9.694  10.116 0.552   1.00 10.83 ? 8   A   B C2    1 
ATOM   427 N  N3    . A   B 1 8  ? -10.802 9.382  0.645   1.00 10.39 ? 8   A   B N3    1 
ATOM   428 C  C4    . A   B 1 8  ? -11.823 9.985  0.008   1.00 8.85  ? 8   A   B C4    1 
ATOM   429 P  P     . G   B 1 9  ? -16.679 9.765  3.746   1.00 10.45 ? 9   G   B P     1 
ATOM   430 O  OP1   . G   B 1 9  ? -17.669 9.322  4.768   1.00 12.84 ? 9   G   B OP1   1 
ATOM   431 O  OP2   . G   B 1 9  ? -16.890 11.078 3.090   1.00 10.58 ? 9   G   B OP2   1 
ATOM   432 O  "O5'" . G   B 1 9  ? -15.264 9.749  4.458   1.00 10.39 ? 9   G   B "O5'" 1 
ATOM   433 C  "C5'" . G   B 1 9  ? -14.636 10.930 4.894   1.00 10.63 ? 9   G   B "C5'" 1 
ATOM   434 C  "C4'" . G   B 1 9  ? -13.175 10.661 5.079   1.00 8.59  ? 9   G   B "C4'" 1 
ATOM   435 O  "O4'" . G   B 1 9  ? -12.525 10.558 3.783   1.00 9.19  ? 9   G   B "O4'" 1 
ATOM   436 C  "C3'" . G   B 1 9  ? -12.395 11.733 5.804   1.00 11.99 ? 9   G   B "C3'" 1 
ATOM   437 O  "O3'" . G   B 1 9  ? -12.547 11.613 7.201   1.00 10.77 ? 9   G   B "O3'" 1 
ATOM   438 C  "C2'" . G   B 1 9  ? -10.979 11.492 5.312   1.00 11.20 ? 9   G   B "C2'" 1 
ATOM   439 O  "O2'" . G   B 1 9  ? -10.418 10.352 5.949   1.00 11.51 ? 9   G   B "O2'" 1 
ATOM   440 C  "C1'" . G   B 1 9  ? -11.240 11.139 3.849   1.00 8.46  ? 9   G   B "C1'" 1 
ATOM   441 N  N9    . G   B 1 9  ? -11.229 12.329 2.979   1.00 8.22  ? 9   G   B N9    1 
ATOM   442 C  C8    . G   B 1 9  ? -12.292 12.891 2.318   1.00 9.35  ? 9   G   B C8    1 
ATOM   443 N  N7    . G   B 1 9  ? -11.965 13.944 1.619   1.00 9.79  ? 9   G   B N7    1 
ATOM   444 C  C5    . G   B 1 9  ? -10.596 14.080 1.832   1.00 8.44  ? 9   G   B C5    1 
ATOM   445 C  C6    . G   B 1 9  ? -9.679  15.037 1.325   1.00 8.88  ? 9   G   B C6    1 
ATOM   446 O  O6    . G   B 1 9  ? -9.902  15.988 0.565   1.00 10.21 ? 9   G   B O6    1 
ATOM   447 N  N1    . G   B 1 9  ? -8.387  14.807 1.788   1.00 8.27  ? 9   G   B N1    1 
ATOM   448 C  C2    . G   B 1 9  ? -8.020  13.786 2.632   1.00 9.03  ? 9   G   B C2    1 
ATOM   449 N  N2    . G   B 1 9  ? -6.727  13.733 2.976   1.00 9.08  ? 9   G   B N2    1 
ATOM   450 N  N3    . G   B 1 9  ? -8.861  12.890 3.106   1.00 9.48  ? 9   G   B N3    1 
ATOM   451 C  C4    . G   B 1 9  ? -10.124 13.092 2.663   1.00 8.85  ? 9   G   B C4    1 
HETATM 452 C  "C1'" . HHX B 1 10 ? -7.571  13.878 6.910   1.00 12.70 ? 10  HHX B "C1'" 1 
HETATM 453 C  C2    . HHX B 1 10 ? -7.548  15.818 5.467   1.00 11.16 ? 10  HHX B C2    1 
HETATM 454 C  "C2'" . HHX B 1 10 ? -7.216  14.395 8.440   1.00 12.37 ? 10  HHX B "C2'" 1 
HETATM 455 C  "C3'" . HHX B 1 10 ? -8.135  13.885 9.150   1.00 12.75 ? 10  HHX B "C3'" 1 
HETATM 456 C  C4    . HHX B 1 10 ? -9.476  16.570 4.458   1.00 7.94  ? 10  HHX B C4    1 
HETATM 457 C  "C4'" . HHX B 1 10 ? -8.602  12.514 8.479   1.00 12.86 ? 10  HHX B "C4'" 1 
HETATM 458 C  C5    . HHX B 1 10 ? -10.207 15.570 5.078   1.00 10.53 ? 10  HHX B C5    1 
HETATM 459 C  "C5'" . HHX B 1 10 ? -9.944  12.176 8.752   1.00 11.44 ? 10  HHX B "C5'" 1 
HETATM 460 C  C6    . HHX B 1 10 ? -9.531  14.697 5.905   1.00 11.67 ? 10  HHX B C6    1 
HETATM 461 C  "C6'" . HHX B 1 10 ? -5.347  12.561 8.678   1.00 17.21 ? 10  HHX B "C6'" 1 
HETATM 462 C  "C7'" . HHX B 1 10 ? -4.757  14.960 8.993   1.00 17.52 ? 10  HHX B "C7'" 1 
HETATM 463 N  N1    . HHX B 1 10 ? -8.225  14.847 6.086   1.00 9.88  ? 10  HHX B N1    1 
HETATM 464 N  "N2'" . HHX B 1 10 ? -5.763  13.953 8.717   1.00 13.57 ? 10  HHX B "N2'" 1 
HETATM 465 N  N3    . HHX B 1 10 ? -8.174  16.675 4.669   1.00 8.21  ? 10  HHX B N3    1 
HETATM 466 O  O2    . HHX B 1 10 ? -6.380  15.949 5.640   1.00 11.02 ? 10  HHX B O2    1 
HETATM 467 O  "O3'" . HHX B 1 10 ? -7.786  13.614 10.575  1.00 14.77 ? 10  HHX B "O3'" 1 
HETATM 468 O  O4    . HHX B 1 10 ? -10.122 17.457 3.610   1.00 10.40 ? 10  HHX B O4    1 
HETATM 469 O  "O4'" . HHX B 1 10 ? -8.329  12.795 7.026   1.00 11.02 ? 10  HHX B "O4'" 1 
HETATM 470 O  "O5'" . HHX B 1 10 ? -10.824 13.160 8.288   1.00 10.99 ? 10  HHX B "O5'" 1 
HETATM 471 O  "O6'" . HHX B 1 10 ? -3.635  14.628 9.198   1.00 22.27 ? 10  HHX B "O6'" 1 
HETATM 472 O  OP1   . HHX B 1 10 ? -13.024 12.517 9.498   1.00 11.49 ? 10  HHX B OP1   1 
HETATM 473 O  OP2   . HHX B 1 10 ? -13.072 14.096 7.506   1.00 12.52 ? 10  HHX B OP2   1 
HETATM 474 P  P     . HHX B 1 10 ? -12.439 12.897 8.150   1.00 11.59 ? 10  HHX B P     1 
ATOM   475 P  P     . C   B 1 11 ? -7.972  14.789 11.639  1.00 14.76 ? 11  C   B P     1 
ATOM   476 O  OP1   . C   B 1 11 ? -7.410  14.288 12.922  1.00 18.48 ? 11  C   B OP1   1 
ATOM   477 O  OP2   . C   B 1 11 ? -9.355  15.313 11.629  1.00 16.19 ? 11  C   B OP2   1 
ATOM   478 O  "O5'" . C   B 1 11 ? -6.965  15.891 11.087  1.00 15.68 ? 11  C   B "O5'" 1 
ATOM   479 C  "C5'" . C   B 1 11 ? -7.262  17.272 11.140  1.00 14.38 ? 11  C   B "C5'" 1 
ATOM   480 C  "C4'" . C   B 1 11 ? -6.364  18.005 10.187  1.00 12.79 ? 11  C   B "C4'" 1 
ATOM   481 O  "O4'" . C   B 1 11 ? -6.760  17.692 8.830   1.00 10.66 ? 11  C   B "O4'" 1 
ATOM   482 C  "C3'" . C   B 1 11 ? -6.397  19.519 10.253  1.00 10.81 ? 11  C   B "C3'" 1 
ATOM   483 O  "O3'" . C   B 1 11 ? -5.519  20.005 11.255  1.00 11.30 ? 11  C   B "O3'" 1 
ATOM   484 C  "C2'" . C   B 1 11 ? -5.954  19.928 8.858   1.00 10.07 ? 11  C   B "C2'" 1 
ATOM   485 O  "O2'" . C   B 1 11 ? -4.539  19.888 8.779   1.00 13.39 ? 11  C   B "O2'" 1 
ATOM   486 C  "C1'" . C   B 1 11 ? -6.516  18.793 7.995   1.00 9.85  ? 11  C   B "C1'" 1 
ATOM   487 N  N1    . C   B 1 11 ? -7.768  19.129 7.280   1.00 8.78  ? 11  C   B N1    1 
ATOM   488 C  C2    . C   B 1 11 ? -7.704  20.033 6.224   1.00 9.21  ? 11  C   B C2    1 
ATOM   489 O  O2    . C   B 1 11 ? -6.607  20.543 5.952   1.00 10.15 ? 11  C   B O2    1 
ATOM   490 N  N3    . C   B 1 11 ? -8.830  20.331 5.531   1.00 8.60  ? 11  C   B N3    1 
ATOM   491 C  C4    . C   B 1 11 ? -9.990  19.752 5.848   1.00 9.04  ? 11  C   B C4    1 
ATOM   492 N  N4    . C   B 1 11 ? -11.074 20.080 5.128   1.00 9.44  ? 11  C   B N4    1 
ATOM   493 C  C5    . C   B 1 11 ? -10.081 18.819 6.924   1.00 11.42 ? 11  C   B C5    1 
ATOM   494 C  C6    . C   B 1 11 ? -8.954  18.536 7.605   1.00 8.54  ? 11  C   B C6    1 
ATOM   495 P  P     . C   B 1 12 ? -5.795  21.402 11.989  1.00 12.05 ? 12  C   B P     1 
ATOM   496 O  OP1   . C   B 1 12 ? -4.613  21.681 12.855  1.00 12.30 ? 12  C   B OP1   1 
ATOM   497 O  OP2   . C   B 1 12 ? -7.165  21.363 12.540  1.00 11.74 ? 12  C   B OP2   1 
ATOM   498 O  "O5'" . C   B 1 12 ? -5.836  22.477 10.824  1.00 9.96  ? 12  C   B "O5'" 1 
ATOM   499 C  "C5'" . C   B 1 12 ? -4.629  22.984 10.285  1.00 10.98 ? 12  C   B "C5'" 1 
ATOM   500 C  "C4'" . C   B 1 12 ? -4.910  24.153 9.386   1.00 10.19 ? 12  C   B "C4'" 1 
ATOM   501 O  "O4'" . C   B 1 12 ? -5.614  23.704 8.208   1.00 11.34 ? 12  C   B "O4'" 1 
ATOM   502 C  "C3'" . C   B 1 12 ? -5.824  25.225 9.959   1.00 11.70 ? 12  C   B "C3'" 1 
ATOM   503 O  "O3'" . C   B 1 12 ? -5.158  26.099 10.852  1.00 12.51 ? 12  C   B "O3'" 1 
ATOM   504 C  "C2'" . C   B 1 12 ? -6.358  25.919 8.708   1.00 12.59 ? 12  C   B "C2'" 1 
ATOM   505 O  "O2'" . C   B 1 12 ? -5.447  26.903 8.242   1.00 15.75 ? 12  C   B "O2'" 1 
ATOM   506 C  "C1'" . C   B 1 12 ? -6.386  24.771 7.695   1.00 11.10 ? 12  C   B "C1'" 1 
ATOM   507 N  N1    . C   B 1 12 ? -7.743  24.293 7.384   1.00 9.85  ? 12  C   B N1    1 
ATOM   508 C  C2    . C   B 1 12 ? -8.400  24.966 6.361   1.00 10.42 ? 12  C   B C2    1 
ATOM   509 O  O2    . C   B 1 12 ? -7.816  25.924 5.830   1.00 11.07 ? 12  C   B O2    1 
ATOM   510 N  N3    . C   B 1 12 ? -9.627  24.558 5.994   1.00 9.42  ? 12  C   B N3    1 
ATOM   511 C  C4    . C   B 1 12 ? -10.199 23.519 6.614   1.00 10.17 ? 12  C   B C4    1 
ATOM   512 N  N4    . C   B 1 12 ? -11.422 23.148 6.231   1.00 11.63 ? 12  C   B N4    1 
ATOM   513 C  C5    . C   B 1 12 ? -9.544  22.815 7.670   1.00 10.80 ? 12  C   B C5    1 
ATOM   514 C  C6    . C   B 1 12 ? -8.319  23.231 8.018   1.00 8.99  ? 12  C   B C6    1 
HETATM 515 O  O     . HOH C 2 .  ? 2.397   16.209 -22.217 1.00 27.61 ? 101 HOH A O     1 
HETATM 516 O  O     . HOH C 2 .  ? -13.437 25.126 -3.038  1.00 30.97 ? 102 HOH A O     1 
HETATM 517 O  O     . HOH C 2 .  ? 1.836   21.286 -2.504  1.00 29.10 ? 103 HOH A O     1 
HETATM 518 O  O     . HOH C 2 .  ? -13.008 3.233  -5.719  1.00 18.21 ? 104 HOH A O     1 
HETATM 519 O  O     . HOH C 2 .  ? -14.015 10.617 -16.736 1.00 19.14 ? 105 HOH A O     1 
HETATM 520 O  O     . HOH C 2 .  ? -3.194  23.261 -5.496  1.00 24.26 ? 106 HOH A O     1 
HETATM 521 O  O     . HOH C 2 .  ? -2.149  16.421 -4.730  1.00 17.72 ? 107 HOH A O     1 
HETATM 522 O  O     . HOH C 2 .  ? 1.496   7.526  -0.249  1.00 30.15 ? 108 HOH A O     1 
HETATM 523 O  O     . HOH C 2 .  ? -6.818  11.604 -7.180  1.00 23.21 ? 109 HOH A O     1 
HETATM 524 O  O     . HOH C 2 .  ? -10.829 26.809 -7.138  1.00 16.84 ? 110 HOH A O     1 
HETATM 525 O  O     . HOH C 2 .  ? -12.524 9.924  -27.299 1.00 22.16 ? 111 HOH A O     1 
HETATM 526 O  O     . HOH C 2 .  ? -8.214  15.629 -3.537  1.00 16.96 ? 112 HOH A O     1 
HETATM 527 O  O     . HOH C 2 .  ? -0.598  22.534 -5.092  1.00 24.68 ? 113 HOH A O     1 
HETATM 528 O  O     . HOH C 2 .  ? -2.748  14.251 3.677   1.00 25.68 ? 114 HOH A O     1 
HETATM 529 O  O     . HOH C 2 .  ? -6.407  9.488  -26.006 1.00 28.85 ? 115 HOH A O     1 
HETATM 530 O  O     . HOH C 2 .  ? -5.716  16.826 -21.038 1.00 15.17 ? 116 HOH A O     1 
HETATM 531 O  O     . HOH C 2 .  ? -8.331  16.104 -24.888 1.00 27.04 ? 117 HOH A O     1 
HETATM 532 O  O     . HOH C 2 .  ? -1.830  1.744  -3.451  1.00 23.74 ? 118 HOH A O     1 
HETATM 533 O  O     . HOH C 2 .  ? -4.567  7.880  2.956   1.00 26.02 ? 119 HOH A O     1 
HETATM 534 O  O     . HOH C 2 .  ? 2.538   16.054 -2.775  1.00 28.41 ? 120 HOH A O     1 
HETATM 535 O  O     . HOH C 2 .  ? -0.285  18.555 -5.178  1.00 19.62 ? 121 HOH A O     1 
HETATM 536 O  O     . HOH C 2 .  ? -7.365  26.845 -6.268  1.00 21.63 ? 122 HOH A O     1 
HETATM 537 O  O     . HOH C 2 .  ? -4.855  27.402 -5.200  1.00 17.68 ? 123 HOH A O     1 
HETATM 538 O  O     . HOH C 2 .  ? -4.901  25.897 3.144   1.00 14.01 ? 124 HOH A O     1 
HETATM 539 O  O     . HOH C 2 .  ? -17.265 27.234 -1.373  1.00 24.96 ? 125 HOH A O     1 
HETATM 540 O  O     . HOH C 2 .  ? -2.724  12.427 -3.488  1.00 18.15 ? 126 HOH A O     1 
HETATM 541 O  O     . HOH C 2 .  ? 2.741   16.477 -24.907 1.00 14.30 ? 127 HOH A O     1 
HETATM 542 O  O     . HOH C 2 .  ? -9.766  30.426 1.430   1.00 16.70 ? 128 HOH A O     1 
HETATM 543 O  O     . HOH C 2 .  ? -9.078  23.588 -2.845  1.00 17.12 ? 129 HOH A O     1 
HETATM 544 O  O     . HOH C 2 .  ? -5.393  8.854  -6.141  1.00 26.40 ? 130 HOH A O     1 
HETATM 545 O  O     . HOH C 2 .  ? -7.074  6.725  -19.666 1.00 18.27 ? 131 HOH A O     1 
HETATM 546 O  O     . HOH C 2 .  ? -13.047 3.027  -19.010 1.00 13.56 ? 132 HOH A O     1 
HETATM 547 O  O     . HOH C 2 .  ? -5.674  21.162 -3.126  1.00 11.93 ? 133 HOH A O     1 
HETATM 548 O  O     . HOH C 2 .  ? -7.448  15.182 -28.065 1.00 25.49 ? 134 HOH A O     1 
HETATM 549 O  O     . HOH C 2 .  ? -2.132  17.737 -27.825 1.00 10.69 ? 135 HOH A O     1 
HETATM 550 O  O     . HOH C 2 .  ? -5.825  11.415 -29.175 1.00 27.16 ? 136 HOH A O     1 
HETATM 551 O  O     . HOH C 2 .  ? -4.612  2.985  -0.585  1.00 21.71 ? 137 HOH A O     1 
HETATM 552 O  O     . HOH C 2 .  ? -13.706 1.738  -12.940 1.00 16.42 ? 138 HOH A O     1 
HETATM 553 O  O     . HOH C 2 .  ? -3.636  28.521 -0.941  1.00 18.24 ? 139 HOH A O     1 
HETATM 554 O  O     . HOH C 2 .  ? -14.724 6.835  -18.438 1.00 15.53 ? 140 HOH A O     1 
HETATM 555 O  O     . HOH C 2 .  ? -6.138  7.446  -11.875 1.00 20.52 ? 141 HOH A O     1 
HETATM 556 O  O     . HOH C 2 .  ? 1.229   22.683 0.073   1.00 18.22 ? 142 HOH A O     1 
HETATM 557 O  O     . HOH C 2 .  ? -7.870  -0.279 -11.376 1.00 27.61 ? 143 HOH A O     1 
HETATM 558 O  O     . HOH C 2 .  ? -5.064  -0.838 -9.077  1.00 24.66 ? 144 HOH A O     1 
HETATM 559 O  O     . HOH C 2 .  ? -10.518 0.049  -6.424  1.00 17.66 ? 145 HOH A O     1 
HETATM 560 O  O     . HOH C 2 .  ? -4.189  2.006  -7.209  1.00 22.42 ? 146 HOH A O     1 
HETATM 561 O  O     . HOH C 2 .  ? -9.693  2.598  -20.506 1.00 26.67 ? 147 HOH A O     1 
HETATM 562 O  O     . HOH C 2 .  ? -12.730 23.092 -0.224  1.00 28.41 ? 148 HOH A O     1 
HETATM 563 O  O     . HOH C 2 .  ? -9.181  21.672 -0.947  1.00 14.64 ? 149 HOH A O     1 
HETATM 564 O  O     . HOH C 2 .  ? -7.015  29.401 3.553   1.00 24.70 ? 150 HOH A O     1 
HETATM 565 O  O     . HOH C 2 .  ? -5.103  9.925  -10.932 1.00 32.25 ? 151 HOH A O     1 
HETATM 566 O  O     . HOH C 2 .  ? -4.987  8.091  -15.145 1.00 28.82 ? 152 HOH A O     1 
HETATM 567 O  O     . HOH C 2 .  ? -4.059  17.955 -3.935  1.00 16.86 ? 153 HOH A O     1 
HETATM 568 O  O     . HOH C 2 .  ? -14.008 5.428  -6.800  1.00 18.51 ? 154 HOH A O     1 
HETATM 569 O  O     . HOH C 2 .  ? -6.583  4.703  -11.292 1.00 23.66 ? 155 HOH A O     1 
HETATM 570 O  O     . HOH C 2 .  ? -10.729 20.326 0.206   1.00 22.67 ? 156 HOH A O     1 
HETATM 571 O  O     . HOH C 2 .  ? -8.267  19.621 -2.755  1.00 15.68 ? 157 HOH A O     1 
HETATM 572 O  O     . HOH C 2 .  ? -6.341  8.807  -8.941  1.00 22.19 ? 158 HOH A O     1 
HETATM 573 O  O     . HOH C 2 .  ? -7.534  3.545  -17.566 1.00 30.08 ? 159 HOH A O     1 
HETATM 574 O  O     . HOH C 2 .  ? -2.825  9.287  -5.578  1.00 30.03 ? 160 HOH A O     1 
HETATM 575 O  O     . HOH C 2 .  ? -7.737  8.653  -21.557 1.00 17.18 ? 161 HOH A O     1 
HETATM 576 O  O     . HOH C 2 .  ? -13.303 20.397 2.291   1.00 31.65 ? 162 HOH A O     1 
HETATM 577 O  O     . HOH C 2 .  ? -5.072  13.141 -5.182  1.00 19.06 ? 163 HOH A O     1 
HETATM 578 O  O     . HOH C 2 .  ? -4.575  7.335  -18.389 1.00 18.07 ? 164 HOH A O     1 
HETATM 579 O  O     . HOH C 2 .  ? -2.893  8.557  -21.011 1.00 18.52 ? 165 HOH A O     1 
HETATM 580 O  O     . HOH C 2 .  ? -12.947 13.503 -16.791 1.00 14.92 ? 166 HOH A O     1 
HETATM 581 O  O     . HOH C 2 .  ? -6.144  1.377  -13.031 1.00 28.43 ? 167 HOH A O     1 
HETATM 582 O  O     . HOH C 2 .  ? -10.454 8.102  -26.794 1.00 27.93 ? 168 HOH A O     1 
HETATM 583 O  O     . HOH C 2 .  ? -10.908 15.993 -24.478 1.00 29.55 ? 169 HOH A O     1 
HETATM 584 O  O     . HOH C 2 .  ? -6.322  24.707 -6.573  1.00 26.93 ? 170 HOH A O     1 
HETATM 585 O  O     . HOH C 2 .  ? -6.266  5.145  2.297   1.00 27.35 ? 171 HOH A O     1 
HETATM 586 O  O     . HOH C 2 .  ? -5.400  9.283  -23.096 1.00 27.91 ? 172 HOH A O     1 
HETATM 587 O  O     . HOH C 2 .  ? -2.401  12.433 -29.191 1.00 28.04 ? 173 HOH A O     1 
HETATM 588 O  O     . HOH C 2 .  ? -4.415  4.123  -11.622 1.00 34.76 ? 174 HOH A O     1 
HETATM 589 O  O     . HOH C 2 .  ? -3.052  11.726 5.024   1.00 31.11 ? 175 HOH A O     1 
HETATM 590 O  O     . HOH C 2 .  ? -3.761  1.188  -10.891 1.00 38.83 ? 176 HOH A O     1 
HETATM 591 O  O     . HOH C 2 .  ? -6.691  17.641 -4.832  1.00 19.39 ? 177 HOH A O     1 
HETATM 592 O  O     . HOH C 2 .  ? -5.249  22.277 -7.023  1.00 21.92 ? 178 HOH A O     1 
HETATM 593 O  O     . HOH C 2 .  ? -7.716  15.076 -30.611 1.00 32.48 ? 179 HOH A O     1 
HETATM 594 O  O     . HOH C 2 .  ? -10.814 23.939 -7.607  1.00 30.28 ? 180 HOH A O     1 
HETATM 595 O  O     . HOH C 2 .  ? -11.950 -0.570 -9.113  1.00 30.02 ? 181 HOH A O     1 
HETATM 596 O  O     . HOH C 2 .  ? -4.800  15.710 -6.118  1.00 25.02 ? 182 HOH A O     1 
HETATM 597 O  O     . HOH C 2 .  ? -3.126  11.519 -7.589  1.00 28.97 ? 183 HOH A O     1 
HETATM 598 O  O     . HOH D 2 .  ? -15.300 14.130 6.530   1.00 24.85 ? 101 HOH B O     1 
HETATM 599 O  O     . HOH D 2 .  ? 3.552   11.583 -11.252 1.00 27.16 ? 102 HOH B O     1 
HETATM 600 O  O     . HOH D 2 .  ? 1.802   8.798  -15.221 1.00 24.93 ? 103 HOH B O     1 
HETATM 601 O  O     . HOH D 2 .  ? -13.817 10.663 -13.819 1.00 21.08 ? 104 HOH B O     1 
HETATM 602 O  O     . HOH D 2 .  ? -8.055  19.620 14.174  1.00 24.18 ? 105 HOH B O     1 
HETATM 603 O  O     . HOH D 2 .  ? -8.022  19.983 -9.146  1.00 18.98 ? 106 HOH B O     1 
HETATM 604 O  O     . HOH D 2 .  ? -6.722  13.614 -9.051  1.00 20.39 ? 107 HOH B O     1 
HETATM 605 O  O     . HOH D 2 .  ? -3.942  20.815 6.419   1.00 14.73 ? 108 HOH B O     1 
HETATM 606 O  O     . HOH D 2 .  ? -15.584 12.669 1.457   1.00 19.30 ? 109 HOH B O     1 
HETATM 607 O  O     . HOH D 2 .  ? -21.693 12.804 -6.702  1.00 26.76 ? 110 HOH B O     1 
HETATM 608 O  O     . HOH D 2 .  ? -12.797 16.632 8.250   1.00 18.13 ? 111 HOH B O     1 
HETATM 609 O  O     . HOH D 2 .  ? -8.124  23.690 13.462  1.00 20.67 ? 112 HOH B O     1 
HETATM 610 O  O     . HOH D 2 .  ? -18.722 6.864  4.549   1.00 18.25 ? 113 HOH B O     1 
HETATM 611 O  O     . HOH D 2 .  ? -0.116  22.588 -11.682 1.00 23.01 ? 114 HOH B O     1 
HETATM 612 O  O     . HOH D 2 .  ? 6.352   14.355 -18.920 1.00 27.22 ? 115 HOH B O     1 
HETATM 613 O  O     . HOH D 2 .  ? 0.689   14.789 -11.819 1.00 17.08 ? 116 HOH B O     1 
HETATM 614 O  O     . HOH D 2 .  ? -20.045 10.627 4.786   1.00 30.42 ? 117 HOH B O     1 
HETATM 615 O  O     . HOH D 2 .  ? -6.666  22.268 -9.686  1.00 18.16 ? 118 HOH B O     1 
HETATM 616 O  O     . HOH D 2 .  ? -13.604 15.502 0.119   1.00 18.98 ? 119 HOH B O     1 
HETATM 617 O  O     . HOH D 2 .  ? 3.015   20.487 -10.856 1.00 23.32 ? 120 HOH B O     1 
HETATM 618 O  O     . HOH D 2 .  ? -15.510 12.862 -14.447 1.00 26.15 ? 121 HOH B O     1 
HETATM 619 O  O     . HOH D 2 .  ? -18.908 18.254 -11.625 1.00 14.85 ? 122 HOH B O     1 
HETATM 620 O  O     . HOH D 2 .  ? -11.816 17.828 -0.167  1.00 26.80 ? 123 HOH B O     1 
HETATM 621 O  O     . HOH D 2 .  ? -17.690 17.018 -13.631 1.00 14.38 ? 124 HOH B O     1 
HETATM 622 O  O     . HOH D 2 .  ? -2.724  17.224 -11.325 1.00 13.11 ? 125 HOH B O     1 
HETATM 623 O  O     . HOH D 2 .  ? -16.873 8.927  -10.055 1.00 15.36 ? 126 HOH B O     1 
HETATM 624 O  O     . HOH D 2 .  ? -4.064  24.196 13.844  1.00 15.74 ? 127 HOH B O     1 
HETATM 625 O  O     . HOH D 2 .  ? -3.634  15.796 5.301   1.00 28.58 ? 128 HOH B O     1 
HETATM 626 O  O     . HOH D 2 .  ? -4.874  23.296 -15.734 1.00 15.13 ? 129 HOH B O     1 
HETATM 627 O  O     . HOH D 2 .  ? -10.250 7.327  2.426   1.00 19.73 ? 130 HOH B O     1 
HETATM 628 O  O     . HOH D 2 .  ? -1.691  20.562 -10.203 1.00 21.98 ? 131 HOH B O     1 
HETATM 629 O  O     . HOH D 2 .  ? -10.657 17.011 9.849   1.00 19.23 ? 132 HOH B O     1 
HETATM 630 O  O     . HOH D 2 .  ? 5.219   7.944  -12.541 1.00 25.47 ? 133 HOH B O     1 
HETATM 631 O  O     . HOH D 2 .  ? -20.641 11.313 -8.862  1.00 19.83 ? 134 HOH B O     1 
HETATM 632 O  O     . HOH D 2 .  ? 0.096   18.182 -18.839 1.00 13.59 ? 135 HOH B O     1 
HETATM 633 O  O     . HOH D 2 .  ? -1.628  13.757 -12.970 1.00 14.66 ? 136 HOH B O     1 
HETATM 634 O  O     . HOH D 2 .  ? -15.716 13.006 10.151  1.00 16.22 ? 137 HOH B O     1 
HETATM 635 O  O     . HOH D 2 .  ? 0.754   11.152 -13.577 1.00 26.57 ? 138 HOH B O     1 
HETATM 636 O  O     . HOH D 2 .  ? -11.727 17.503 -8.982  1.00 13.71 ? 139 HOH B O     1 
HETATM 637 O  O     . HOH D 2 .  ? -19.118 6.690  -4.407  1.00 22.66 ? 140 HOH B O     1 
HETATM 638 O  O     . HOH D 2 .  ? -5.271  15.801 14.056  1.00 28.65 ? 141 HOH B O     1 
HETATM 639 O  O     . HOH D 2 .  ? -15.896 14.663 -3.263  1.00 24.20 ? 142 HOH B O     1 
HETATM 640 O  O     . HOH D 2 .  ? 4.659   16.852 -19.191 1.00 22.06 ? 143 HOH B O     1 
HETATM 641 O  O     . HOH D 2 .  ? -13.107 14.149 -2.292  1.00 18.29 ? 144 HOH B O     1 
HETATM 642 O  O     . HOH D 2 .  ? -5.544  27.565 5.190   1.00 18.73 ? 145 HOH B O     1 
HETATM 643 O  O     . HOH D 2 .  ? -9.323  21.393 10.638  1.00 22.74 ? 146 HOH B O     1 
HETATM 644 O  O     . HOH D 2 .  ? -5.977  18.223 -9.781  1.00 15.60 ? 147 HOH B O     1 
HETATM 645 O  O     . HOH D 2 .  ? -22.457 10.063 -0.395  1.00 27.35 ? 148 HOH B O     1 
HETATM 646 O  O     . HOH D 2 .  ? -12.424 15.165 -5.219  1.00 19.93 ? 149 HOH B O     1 
HETATM 647 O  O     . HOH D 2 .  ? -14.002 20.347 -7.723  1.00 30.38 ? 150 HOH B O     1 
HETATM 648 O  O     . HOH D 2 .  ? -2.592  11.355 -13.680 1.00 21.57 ? 151 HOH B O     1 
HETATM 649 O  O     . HOH D 2 .  ? -7.794  10.472 4.408   1.00 21.14 ? 152 HOH B O     1 
HETATM 650 O  O     . HOH D 2 .  ? -3.398  14.418 -10.814 1.00 16.58 ? 153 HOH B O     1 
HETATM 651 O  O     . HOH D 2 .  ? -11.892 13.787 12.042  1.00 30.00 ? 154 HOH B O     1 
HETATM 652 O  O     . HOH D 2 .  ? -8.632  14.281 -5.838  1.00 25.88 ? 155 HOH B O     1 
HETATM 653 O  O     . HOH D 2 .  ? -12.880 21.102 7.894   1.00 20.82 ? 156 HOH B O     1 
HETATM 654 O  O     . HOH D 2 .  ? -5.318  11.889 4.900   1.00 17.96 ? 157 HOH B O     1 
HETATM 655 O  O     . HOH D 2 .  ? -13.501 18.565 6.108   1.00 21.66 ? 158 HOH B O     1 
HETATM 656 O  O     . HOH D 2 .  ? 3.876   14.145 -8.464  1.00 26.60 ? 159 HOH B O     1 
HETATM 657 O  O     . HOH D 2 .  ? -10.060 15.904 -7.240  1.00 19.20 ? 160 HOH B O     1 
HETATM 658 O  O     . HOH D 2 .  ? -1.967  17.246 8.550   1.00 30.28 ? 161 HOH B O     1 
HETATM 659 O  O     . HOH D 2 .  ? -0.509  7.880  -17.980 1.00 29.06 ? 162 HOH B O     1 
HETATM 660 O  O     . HOH D 2 .  ? -14.833 17.069 -6.069  1.00 33.83 ? 163 HOH B O     1 
HETATM 661 O  O     . HOH D 2 .  ? -20.749 7.138  -2.433  1.00 24.74 ? 164 HOH B O     1 
HETATM 662 O  O     . HOH D 2 .  ? -5.426  11.625 12.408  1.00 29.37 ? 165 HOH B O     1 
HETATM 663 O  O     . HOH D 2 .  ? -10.693 16.191 -2.948  1.00 27.11 ? 166 HOH B O     1 
HETATM 664 O  O     . HOH D 2 .  ? 3.812   18.942 -19.262 1.00 27.69 ? 167 HOH B O     1 
HETATM 665 O  O     . HOH D 2 .  ? -4.154  11.876 -9.644  1.00 27.52 ? 168 HOH B O     1 
HETATM 666 O  O     . HOH D 2 .  ? -5.730  22.415 16.419  1.00 25.57 ? 169 HOH B O     1 
HETATM 667 O  O     . HOH D 2 .  ? -12.746 23.336 9.840   1.00 33.35 ? 170 HOH B O     1 
HETATM 668 O  O     . HOH D 2 .  ? 0.311   13.709 -9.438  1.00 27.19 ? 171 HOH B O     1 
HETATM 669 O  O     . HOH D 2 .  ? -15.496 14.741 3.747   1.00 29.99 ? 172 HOH B O     1 
HETATM 670 O  O     . HOH D 2 .  ? -13.137 23.843 -8.604  1.00 34.90 ? 173 HOH B O     1 
HETATM 671 O  O     . HOH D 2 .  ? -0.806  22.980 -9.507  1.00 32.60 ? 174 HOH B O     1 
HETATM 672 O  O     . HOH D 2 .  ? -4.006  19.950 -7.502  1.00 25.51 ? 175 HOH B O     1 
HETATM 673 O  O     . HOH D 2 .  ? -3.451  16.968 12.957  1.00 29.73 ? 176 HOH B O     1 
HETATM 674 O  O     . HOH D 2 .  ? -6.682  17.592 15.216  1.00 32.12 ? 177 HOH B O     1 
HETATM 675 O  O     . HOH D 2 .  ? -2.314  17.649 6.066   1.00 26.81 ? 178 HOH B O     1 
HETATM 676 O  O     . HOH D 2 .  ? -6.562  9.210  8.267   1.00 23.63 ? 179 HOH B O     1 
HETATM 677 O  O     . HOH D 2 .  ? -6.661  9.559  10.973  1.00 22.88 ? 180 HOH B O     1 
HETATM 678 O  O     . HOH D 2 .  ? -7.608  23.806 -16.284 1.00 29.62 ? 181 HOH B O     1 
HETATM 679 O  O     . HOH D 2 .  ? 0.273   21.521 -7.648  1.00 28.37 ? 182 HOH B O     1 
HETATM 680 O  O     . HOH D 2 .  ? -1.274  18.962 -7.869  1.00 23.74 ? 183 HOH B O     1 
HETATM 681 O  O     . HOH D 2 .  ? -3.861  14.465 15.980  1.00 32.94 ? 184 HOH B O     1 
HETATM 682 O  O     . HOH D 2 .  ? -5.587  15.952 -8.312  1.00 23.22 ? 185 HOH B O     1 
HETATM 683 O  O     . HOH D 2 .  ? -11.232 19.662 10.531  1.00 25.98 ? 186 HOH B O     1 
HETATM 684 O  O     . HOH D 2 .  ? -8.692  24.125 -9.443  1.00 30.73 ? 187 HOH B O     1 
# 
