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- structures/1arj.cif +0 -0
- structures/1asy.cif +0 -0
- structures/1c2w.cif +0 -0
- structures/1hys.cif +0 -0
- structures/1jb8.cif +1813 -0
- structures/1mhk.cif +1814 -0
- structures/1qu3.cif +0 -0
- structures/1slp.cif +0 -0
- structures/1t0e.cif +0 -0
- structures/1tfw.cif +0 -0
- structures/1x18.cif +0 -0
- structures/1z30.cif +0 -0
- structures/1zev.cif +0 -0
- structures/1zfx.cif +0 -0
- structures/2dr5.cif +0 -0
- structures/2dr7.cif +0 -0
- structures/2dra.cif +0 -0
- structures/2m4w.cif +0 -0
- structures/2mtj.cif +0 -0
- structures/2mxk.cif +0 -0
- structures/2o44.cif +0 -0
- structures/2qh4.cif +0 -0
- structures/2zy6.cif +0 -0
- structures/2zzn.cif +0 -0
- structures/3b5a.cif +0 -0
- structures/3bnt.cif +0 -0
- structures/3bo1.cif +0 -0
- structures/3bo3.cif +0 -0
- structures/3la5.cif +0 -0
- structures/3rkf.cif +0 -0
- structures/4kji.cif +0 -0
- structures/4nxh.cif +0 -0
- structures/4pqv.cif +0 -0
- structures/4un3.cif +0 -0
- structures/5anb.cif +0 -0
- structures/5fkh.cif +0 -0
- structures/5h0r.cif +0 -0
- structures/5x8r.cif +0 -0
- structures/5xz1.cif +0 -0
- structures/5zw4.cif +0 -0
- structures/6ar5.cif +0 -0
- structures/6cf2.cif +0 -0
- structures/6ck5.cif +0 -0
- structures/6d6r.cif +0 -0
- structures/6d8l.cif +0 -0
- structures/6d8n.cif +0 -0
- structures/6dcl.cif +0 -0
- structures/6dlt.cif +0 -0
- structures/6dme.cif +0 -0
- structures/6j4w.cif +0 -0
structures/1arj.cif
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structures/1asy.cif
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structures/1c2w.cif
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The diff for this file is too large to render.
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structures/1hys.cif
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The diff for this file is too large to render.
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structures/1jb8.cif
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_1JB8
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1JB8
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.389
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1JB8 pdb_00001jb8 10.2210/pdb1jb8/pdb
|
| 15 |
+
NDB AH0019 ? ?
|
| 16 |
+
RCSB RCSB013579 ? ?
|
| 17 |
+
WWPDB D_1000013579 ? ?
|
| 18 |
+
#
|
| 19 |
+
loop_
|
| 20 |
+
_pdbx_audit_revision_history.ordinal
|
| 21 |
+
_pdbx_audit_revision_history.data_content_type
|
| 22 |
+
_pdbx_audit_revision_history.major_revision
|
| 23 |
+
_pdbx_audit_revision_history.minor_revision
|
| 24 |
+
_pdbx_audit_revision_history.revision_date
|
| 25 |
+
1 'Structure model' 1 0 2003-07-01
|
| 26 |
+
2 'Structure model' 1 1 2008-04-27
|
| 27 |
+
3 'Structure model' 1 2 2011-07-13
|
| 28 |
+
4 'Structure model' 1 3 2017-10-04
|
| 29 |
+
5 'Structure model' 1 4 2024-02-07
|
| 30 |
+
6 'Structure model' 1 5 2024-04-03
|
| 31 |
+
#
|
| 32 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 33 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 34 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 35 |
+
_pdbx_audit_revision_details.provider repository
|
| 36 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 37 |
+
_pdbx_audit_revision_details.description ?
|
| 38 |
+
_pdbx_audit_revision_details.details ?
|
| 39 |
+
#
|
| 40 |
+
loop_
|
| 41 |
+
_pdbx_audit_revision_group.ordinal
|
| 42 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 43 |
+
_pdbx_audit_revision_group.data_content_type
|
| 44 |
+
_pdbx_audit_revision_group.group
|
| 45 |
+
1 2 'Structure model' 'Version format compliance'
|
| 46 |
+
2 3 'Structure model' 'Version format compliance'
|
| 47 |
+
3 4 'Structure model' 'Refinement description'
|
| 48 |
+
4 5 'Structure model' 'Data collection'
|
| 49 |
+
5 5 'Structure model' 'Database references'
|
| 50 |
+
6 6 'Structure model' 'Refinement description'
|
| 51 |
+
#
|
| 52 |
+
loop_
|
| 53 |
+
_pdbx_audit_revision_category.ordinal
|
| 54 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 55 |
+
_pdbx_audit_revision_category.data_content_type
|
| 56 |
+
_pdbx_audit_revision_category.category
|
| 57 |
+
1 4 'Structure model' software
|
| 58 |
+
2 5 'Structure model' chem_comp_atom
|
| 59 |
+
3 5 'Structure model' chem_comp_bond
|
| 60 |
+
4 5 'Structure model' database_2
|
| 61 |
+
5 6 'Structure model' pdbx_initial_refinement_model
|
| 62 |
+
#
|
| 63 |
+
loop_
|
| 64 |
+
_pdbx_audit_revision_item.ordinal
|
| 65 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 66 |
+
_pdbx_audit_revision_item.data_content_type
|
| 67 |
+
_pdbx_audit_revision_item.item
|
| 68 |
+
1 5 'Structure model' '_database_2.pdbx_DOI'
|
| 69 |
+
2 5 'Structure model' '_database_2.pdbx_database_accession'
|
| 70 |
+
#
|
| 71 |
+
_pdbx_database_status.status_code REL
|
| 72 |
+
_pdbx_database_status.entry_id 1JB8
|
| 73 |
+
_pdbx_database_status.recvd_initial_deposition_date 2001-06-02
|
| 74 |
+
_pdbx_database_status.deposit_site RCSB
|
| 75 |
+
_pdbx_database_status.process_site RCSB
|
| 76 |
+
_pdbx_database_status.status_code_sf REL
|
| 77 |
+
_pdbx_database_status.SG_entry .
|
| 78 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 79 |
+
_pdbx_database_status.status_code_mr ?
|
| 80 |
+
_pdbx_database_status.status_code_cs ?
|
| 81 |
+
_pdbx_database_status.methods_development_category ?
|
| 82 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 83 |
+
#
|
| 84 |
+
_pdbx_database_related.db_name NDB
|
| 85 |
+
_pdbx_database_related.db_id AH0012
|
| 86 |
+
_pdbx_database_related.details 'Direct-methods determination of an RNA/DNA hybrid decamer at 1.15 Angstrom resolution'
|
| 87 |
+
_pdbx_database_related.content_type unspecified
|
| 88 |
+
#
|
| 89 |
+
loop_
|
| 90 |
+
_audit_author.name
|
| 91 |
+
_audit_author.pdbx_ordinal
|
| 92 |
+
'Han, G.W.' 1
|
| 93 |
+
'Kopka, M.L.' 2
|
| 94 |
+
'Langs, D.' 3
|
| 95 |
+
'Dickerson, R.E.' 4
|
| 96 |
+
#
|
| 97 |
+
_citation.id primary
|
| 98 |
+
_citation.title
|
| 99 |
+
;Crystal structure of an RNADNA hybrid reveals intermolecular
|
| 100 |
+
intercalation: Dimer formation by base-pair swapping
|
| 101 |
+
;
|
| 102 |
+
_citation.journal_abbrev Proc.Natl.Acad.Sci.USA
|
| 103 |
+
_citation.journal_volume 100
|
| 104 |
+
_citation.page_first 9214
|
| 105 |
+
_citation.page_last 9219
|
| 106 |
+
_citation.year 2003
|
| 107 |
+
_citation.journal_id_ASTM PNASA6
|
| 108 |
+
_citation.country US
|
| 109 |
+
_citation.journal_id_ISSN 0027-8424
|
| 110 |
+
_citation.journal_id_CSD 0040
|
| 111 |
+
_citation.book_publisher ?
|
| 112 |
+
_citation.pdbx_database_id_PubMed 12872000
|
| 113 |
+
_citation.pdbx_database_id_DOI 10.1073/pnas.1533326100
|
| 114 |
+
#
|
| 115 |
+
loop_
|
| 116 |
+
_citation_author.citation_id
|
| 117 |
+
_citation_author.name
|
| 118 |
+
_citation_author.ordinal
|
| 119 |
+
_citation_author.identifier_ORCID
|
| 120 |
+
primary 'Han, G.W.' 1 ?
|
| 121 |
+
primary 'Kopka, M.L.' 2 ?
|
| 122 |
+
primary 'Langs, D.' 3 ?
|
| 123 |
+
primary 'Sawaya, M.R.' 4 ?
|
| 124 |
+
primary 'Dickerson, R.E.' 5 ?
|
| 125 |
+
#
|
| 126 |
+
loop_
|
| 127 |
+
_entity.id
|
| 128 |
+
_entity.type
|
| 129 |
+
_entity.src_method
|
| 130 |
+
_entity.pdbx_description
|
| 131 |
+
_entity.formula_weight
|
| 132 |
+
_entity.pdbx_number_of_molecules
|
| 133 |
+
_entity.pdbx_ec
|
| 134 |
+
_entity.pdbx_mutation
|
| 135 |
+
_entity.pdbx_fragment
|
| 136 |
+
_entity.details
|
| 137 |
+
1 polymer syn "5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'" 3255.076 1 ? ? ? 'RNA/DNA hybrid of PPT sequence of HIV'
|
| 138 |
+
2 polymer syn "5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'" 2991.961 1 ? ? ? 'RNA/DNA hybrid of PPT sequence of HIV'
|
| 139 |
+
3 water nat water 18.015 66 ? ? ? ?
|
| 140 |
+
#
|
| 141 |
+
loop_
|
| 142 |
+
_entity_poly.entity_id
|
| 143 |
+
_entity_poly.type
|
| 144 |
+
_entity_poly.nstd_linkage
|
| 145 |
+
_entity_poly.nstd_monomer
|
| 146 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 147 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 148 |
+
_entity_poly.pdbx_strand_id
|
| 149 |
+
_entity_poly.pdbx_target_identifier
|
| 150 |
+
1 polyribonucleotide no no CAAAGAAAAG CAAAGAAAAG A ?
|
| 151 |
+
2 polydeoxyribonucleotide no no '(DC)(DT)(DT)(DT)(DT)(DC)(DT)(DT)(DT)(DG)' CTTTTCTTTG B ?
|
| 152 |
+
#
|
| 153 |
+
_pdbx_entity_nonpoly.entity_id 3
|
| 154 |
+
_pdbx_entity_nonpoly.name water
|
| 155 |
+
_pdbx_entity_nonpoly.comp_id HOH
|
| 156 |
+
#
|
| 157 |
+
loop_
|
| 158 |
+
_entity_poly_seq.entity_id
|
| 159 |
+
_entity_poly_seq.num
|
| 160 |
+
_entity_poly_seq.mon_id
|
| 161 |
+
_entity_poly_seq.hetero
|
| 162 |
+
1 1 C n
|
| 163 |
+
1 2 A n
|
| 164 |
+
1 3 A n
|
| 165 |
+
1 4 A n
|
| 166 |
+
1 5 G n
|
| 167 |
+
1 6 A n
|
| 168 |
+
1 7 A n
|
| 169 |
+
1 8 A n
|
| 170 |
+
1 9 A n
|
| 171 |
+
1 10 G n
|
| 172 |
+
2 1 DC n
|
| 173 |
+
2 2 DT n
|
| 174 |
+
2 3 DT n
|
| 175 |
+
2 4 DT n
|
| 176 |
+
2 5 DT n
|
| 177 |
+
2 6 DC n
|
| 178 |
+
2 7 DT n
|
| 179 |
+
2 8 DT n
|
| 180 |
+
2 9 DT n
|
| 181 |
+
2 10 DG n
|
| 182 |
+
#
|
| 183 |
+
_pdbx_entity_src_syn.entity_id 2
|
| 184 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 185 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 186 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 187 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 188 |
+
_pdbx_entity_src_syn.organism_scientific ?
|
| 189 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 190 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id ?
|
| 191 |
+
_pdbx_entity_src_syn.details
|
| 192 |
+
'Synthesized by the solid-phase phosphoramidate method on an Eppendorf ECOSYN D300 Synthesizer.'
|
| 193 |
+
#
|
| 194 |
+
loop_
|
| 195 |
+
_chem_comp.id
|
| 196 |
+
_chem_comp.type
|
| 197 |
+
_chem_comp.mon_nstd_flag
|
| 198 |
+
_chem_comp.name
|
| 199 |
+
_chem_comp.pdbx_synonyms
|
| 200 |
+
_chem_comp.formula
|
| 201 |
+
_chem_comp.formula_weight
|
| 202 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 203 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 204 |
+
DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
|
| 205 |
+
DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 206 |
+
DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
|
| 207 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 208 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 209 |
+
#
|
| 210 |
+
loop_
|
| 211 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 212 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 213 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 214 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 215 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 216 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 217 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 218 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 219 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 220 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 221 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 222 |
+
_pdbx_poly_seq_scheme.hetero
|
| 223 |
+
A 1 1 C 1 1 1 C CYT A . n
|
| 224 |
+
A 1 2 A 2 2 2 A ADE A . n
|
| 225 |
+
A 1 3 A 3 3 3 A ADE A . n
|
| 226 |
+
A 1 4 A 4 4 4 A ADE A . n
|
| 227 |
+
A 1 5 G 5 5 5 G GUA A . n
|
| 228 |
+
A 1 6 A 6 6 6 A ADE A . n
|
| 229 |
+
A 1 7 A 7 7 7 A ADE A . n
|
| 230 |
+
A 1 8 A 8 8 8 A ADE A . n
|
| 231 |
+
A 1 9 A 9 9 9 A ADE A . n
|
| 232 |
+
A 1 10 G 10 10 10 G GUA A . n
|
| 233 |
+
B 2 1 DC 1 11 11 DC CYT B . n
|
| 234 |
+
B 2 2 DT 2 12 12 DT THY B . n
|
| 235 |
+
B 2 3 DT 3 13 13 DT THY B . n
|
| 236 |
+
B 2 4 DT 4 14 14 DT THY B . n
|
| 237 |
+
B 2 5 DT 5 15 15 DT THY B . n
|
| 238 |
+
B 2 6 DC 6 16 16 DC CYT B . n
|
| 239 |
+
B 2 7 DT 7 17 17 DT THY B . n
|
| 240 |
+
B 2 8 DT 8 18 18 DT THY B . n
|
| 241 |
+
B 2 9 DT 9 19 19 DT THY B . n
|
| 242 |
+
B 2 10 DG 10 20 20 DG GUA B . n
|
| 243 |
+
#
|
| 244 |
+
loop_
|
| 245 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 246 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 247 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 248 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 249 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 250 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 251 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 252 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 253 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 254 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 255 |
+
C 3 HOH 1 120 120 HOH HOH A .
|
| 256 |
+
C 3 HOH 2 122 122 HOH HOH A .
|
| 257 |
+
C 3 HOH 3 124 124 HOH HOH A .
|
| 258 |
+
C 3 HOH 4 126 126 HOH HOH A .
|
| 259 |
+
C 3 HOH 5 128 128 HOH HOH A .
|
| 260 |
+
C 3 HOH 6 129 129 HOH HOH A .
|
| 261 |
+
C 3 HOH 7 130 130 HOH HOH A .
|
| 262 |
+
C 3 HOH 8 131 131 HOH HOH A .
|
| 263 |
+
C 3 HOH 9 132 132 HOH HOH A .
|
| 264 |
+
C 3 HOH 10 134 134 HOH HOH A .
|
| 265 |
+
C 3 HOH 11 135 135 HOH HOH A .
|
| 266 |
+
C 3 HOH 12 137 137 HOH HOH A .
|
| 267 |
+
C 3 HOH 13 138 138 HOH HOH A .
|
| 268 |
+
C 3 HOH 14 139 139 HOH HOH A .
|
| 269 |
+
C 3 HOH 15 140 140 HOH HOH A .
|
| 270 |
+
C 3 HOH 16 142 142 HOH HOH A .
|
| 271 |
+
C 3 HOH 17 143 143 HOH HOH A .
|
| 272 |
+
C 3 HOH 18 145 145 HOH HOH A .
|
| 273 |
+
C 3 HOH 19 146 146 HOH HOH A .
|
| 274 |
+
C 3 HOH 20 147 147 HOH HOH A .
|
| 275 |
+
C 3 HOH 21 148 148 HOH HOH A .
|
| 276 |
+
C 3 HOH 22 149 149 HOH HOH A .
|
| 277 |
+
C 3 HOH 23 150 150 HOH HOH A .
|
| 278 |
+
C 3 HOH 24 152 152 HOH HOH A .
|
| 279 |
+
C 3 HOH 25 157 157 HOH HOH A .
|
| 280 |
+
C 3 HOH 26 158 158 HOH HOH A .
|
| 281 |
+
C 3 HOH 27 160 160 HOH HOH A .
|
| 282 |
+
C 3 HOH 28 162 162 HOH HOH A .
|
| 283 |
+
C 3 HOH 29 165 165 HOH HOH A .
|
| 284 |
+
C 3 HOH 30 166 166 HOH HOH A .
|
| 285 |
+
C 3 HOH 31 171 171 HOH HOH A .
|
| 286 |
+
C 3 HOH 32 173 173 HOH HOH A .
|
| 287 |
+
C 3 HOH 33 175 175 HOH HOH A .
|
| 288 |
+
C 3 HOH 34 176 176 HOH HOH A .
|
| 289 |
+
C 3 HOH 35 180 180 HOH HOH A .
|
| 290 |
+
C 3 HOH 36 181 181 HOH HOH A .
|
| 291 |
+
C 3 HOH 37 182 182 HOH HOH A .
|
| 292 |
+
D 3 HOH 1 121 121 HOH HOH B .
|
| 293 |
+
D 3 HOH 2 123 123 HOH HOH B .
|
| 294 |
+
D 3 HOH 3 125 125 HOH HOH B .
|
| 295 |
+
D 3 HOH 4 127 127 HOH HOH B .
|
| 296 |
+
D 3 HOH 5 133 133 HOH HOH B .
|
| 297 |
+
D 3 HOH 6 136 136 HOH HOH B .
|
| 298 |
+
D 3 HOH 7 141 141 HOH HOH B .
|
| 299 |
+
D 3 HOH 8 144 144 HOH HOH B .
|
| 300 |
+
D 3 HOH 9 151 151 HOH HOH B .
|
| 301 |
+
D 3 HOH 10 153 153 HOH HOH B .
|
| 302 |
+
D 3 HOH 11 154 154 HOH HOH B .
|
| 303 |
+
D 3 HOH 12 155 155 HOH HOH B .
|
| 304 |
+
D 3 HOH 13 156 156 HOH HOH B .
|
| 305 |
+
D 3 HOH 14 159 159 HOH HOH B .
|
| 306 |
+
D 3 HOH 15 161 161 HOH HOH B .
|
| 307 |
+
D 3 HOH 16 163 163 HOH HOH B .
|
| 308 |
+
D 3 HOH 17 164 164 HOH HOH B .
|
| 309 |
+
D 3 HOH 18 167 167 HOH HOH B .
|
| 310 |
+
D 3 HOH 19 168 168 HOH HOH B .
|
| 311 |
+
D 3 HOH 20 170 170 HOH HOH B .
|
| 312 |
+
D 3 HOH 21 172 172 HOH HOH B .
|
| 313 |
+
D 3 HOH 22 174 174 HOH HOH B .
|
| 314 |
+
D 3 HOH 23 178 178 HOH HOH B .
|
| 315 |
+
D 3 HOH 24 179 179 HOH HOH B .
|
| 316 |
+
D 3 HOH 25 183 183 HOH HOH B .
|
| 317 |
+
D 3 HOH 26 184 184 HOH HOH B .
|
| 318 |
+
D 3 HOH 27 185 185 HOH HOH B .
|
| 319 |
+
D 3 HOH 28 186 186 HOH HOH B .
|
| 320 |
+
D 3 HOH 29 188 188 HOH HOH B .
|
| 321 |
+
#
|
| 322 |
+
loop_
|
| 323 |
+
_software.name
|
| 324 |
+
_software.classification
|
| 325 |
+
_software.version
|
| 326 |
+
_software.citation_id
|
| 327 |
+
_software.pdbx_ordinal
|
| 328 |
+
DENZO 'data reduction' . ? 1
|
| 329 |
+
EPMR phasing . ? 2
|
| 330 |
+
CNS refinement . ? 3
|
| 331 |
+
#
|
| 332 |
+
_cell.entry_id 1JB8
|
| 333 |
+
_cell.length_a 45.234
|
| 334 |
+
_cell.length_b 46.780
|
| 335 |
+
_cell.length_c 56.560
|
| 336 |
+
_cell.angle_alpha 90.00
|
| 337 |
+
_cell.angle_beta 90.00
|
| 338 |
+
_cell.angle_gamma 90.00
|
| 339 |
+
_cell.Z_PDB 8
|
| 340 |
+
_cell.pdbx_unique_axis ?
|
| 341 |
+
#
|
| 342 |
+
_symmetry.entry_id 1JB8
|
| 343 |
+
_symmetry.space_group_name_H-M 'I 2 2 2'
|
| 344 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 345 |
+
_symmetry.cell_setting ?
|
| 346 |
+
_symmetry.Int_Tables_number 23
|
| 347 |
+
#
|
| 348 |
+
_exptl.entry_id 1JB8
|
| 349 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 350 |
+
_exptl.crystals_number 1
|
| 351 |
+
#
|
| 352 |
+
_exptl_crystal.id 1
|
| 353 |
+
_exptl_crystal.density_meas ?
|
| 354 |
+
_exptl_crystal.density_Matthews 2.38
|
| 355 |
+
_exptl_crystal.density_percent_sol 48.24
|
| 356 |
+
_exptl_crystal.description ?
|
| 357 |
+
#
|
| 358 |
+
_exptl_crystal_grow.crystal_id 1
|
| 359 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 360 |
+
_exptl_crystal_grow.temp 277
|
| 361 |
+
_exptl_crystal_grow.temp_details ?
|
| 362 |
+
_exptl_crystal_grow.pH ?
|
| 363 |
+
_exptl_crystal_grow.pdbx_details
|
| 364 |
+
'MPD, magnesium acetate, spermidine, Na cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 277K'
|
| 365 |
+
_exptl_crystal_grow.pdbx_pH_range .
|
| 366 |
+
#
|
| 367 |
+
loop_
|
| 368 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 369 |
+
_exptl_crystal_grow_comp.id
|
| 370 |
+
_exptl_crystal_grow_comp.sol_id
|
| 371 |
+
_exptl_crystal_grow_comp.name
|
| 372 |
+
_exptl_crystal_grow_comp.volume
|
| 373 |
+
_exptl_crystal_grow_comp.conc
|
| 374 |
+
_exptl_crystal_grow_comp.details
|
| 375 |
+
1 1 1 MPD ? ? ?
|
| 376 |
+
1 2 1 'magnesium acetate' ? ? ?
|
| 377 |
+
1 3 1 spermidine ? ? ?
|
| 378 |
+
1 4 1 'sodium cacodylate' ? ? ?
|
| 379 |
+
#
|
| 380 |
+
_diffrn.id 1
|
| 381 |
+
_diffrn.ambient_temp 93
|
| 382 |
+
_diffrn.ambient_temp_details ?
|
| 383 |
+
_diffrn.crystal_id 1
|
| 384 |
+
#
|
| 385 |
+
_diffrn_detector.diffrn_id 1
|
| 386 |
+
_diffrn_detector.detector 'IMAGE PLATE'
|
| 387 |
+
_diffrn_detector.type 'RIGAKU RAXIS IV'
|
| 388 |
+
_diffrn_detector.pdbx_collection_date 2000-08-15
|
| 389 |
+
_diffrn_detector.details mirrors
|
| 390 |
+
#
|
| 391 |
+
_diffrn_radiation.diffrn_id 1
|
| 392 |
+
_diffrn_radiation.wavelength_id 1
|
| 393 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 394 |
+
_diffrn_radiation.monochromator ?
|
| 395 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 396 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 397 |
+
#
|
| 398 |
+
_diffrn_radiation_wavelength.id 1
|
| 399 |
+
_diffrn_radiation_wavelength.wavelength 1.5418
|
| 400 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 401 |
+
#
|
| 402 |
+
_diffrn_source.diffrn_id 1
|
| 403 |
+
_diffrn_source.source 'ROTATING ANODE'
|
| 404 |
+
_diffrn_source.type ENRAF-NONIUS
|
| 405 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 406 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 407 |
+
_diffrn_source.pdbx_wavelength ?
|
| 408 |
+
_diffrn_source.pdbx_wavelength_list 1.5418
|
| 409 |
+
#
|
| 410 |
+
_reflns.entry_id 1JB8
|
| 411 |
+
_reflns.observed_criterion_sigma_I 2.0
|
| 412 |
+
_reflns.observed_criterion_sigma_F ?
|
| 413 |
+
_reflns.d_resolution_low 10
|
| 414 |
+
_reflns.d_resolution_high 2.38
|
| 415 |
+
_reflns.number_obs 2814
|
| 416 |
+
_reflns.number_all 18386
|
| 417 |
+
_reflns.percent_possible_obs 98.9
|
| 418 |
+
_reflns.pdbx_Rmerge_I_obs 0.053
|
| 419 |
+
_reflns.pdbx_Rsym_value ?
|
| 420 |
+
_reflns.pdbx_netI_over_sigmaI ?
|
| 421 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 422 |
+
_reflns.pdbx_redundancy 6.5
|
| 423 |
+
_reflns.R_free_details ?
|
| 424 |
+
_reflns.pdbx_diffrn_id 1
|
| 425 |
+
_reflns.pdbx_ordinal 1
|
| 426 |
+
#
|
| 427 |
+
_reflns_shell.d_res_high 2.30
|
| 428 |
+
_reflns_shell.d_res_low 2.38
|
| 429 |
+
_reflns_shell.percent_possible_all 96.9
|
| 430 |
+
_reflns_shell.Rmerge_I_obs 0.78
|
| 431 |
+
_reflns_shell.pdbx_Rsym_value ?
|
| 432 |
+
_reflns_shell.meanI_over_sigI_obs ?
|
| 433 |
+
_reflns_shell.pdbx_redundancy ?
|
| 434 |
+
_reflns_shell.percent_possible_obs ?
|
| 435 |
+
_reflns_shell.number_unique_all ?
|
| 436 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 437 |
+
_reflns_shell.pdbx_ordinal 1
|
| 438 |
+
#
|
| 439 |
+
_refine.entry_id 1JB8
|
| 440 |
+
_refine.ls_number_reflns_obs 2171
|
| 441 |
+
_refine.ls_number_reflns_all 2369
|
| 442 |
+
_refine.pdbx_ls_sigma_I ?
|
| 443 |
+
_refine.pdbx_ls_sigma_F 2.0
|
| 444 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 445 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 446 |
+
_refine.ls_d_res_low 10
|
| 447 |
+
_refine.ls_d_res_high 2.38
|
| 448 |
+
_refine.ls_percent_reflns_obs ?
|
| 449 |
+
_refine.ls_R_factor_obs ?
|
| 450 |
+
_refine.ls_R_factor_all 0.238
|
| 451 |
+
_refine.ls_R_factor_R_work 0.223
|
| 452 |
+
_refine.ls_R_factor_R_free 0.251
|
| 453 |
+
_refine.ls_R_factor_R_free_error ?
|
| 454 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 455 |
+
_refine.ls_percent_reflns_R_free 5
|
| 456 |
+
_refine.ls_number_reflns_R_free 109
|
| 457 |
+
_refine.ls_number_parameters ?
|
| 458 |
+
_refine.ls_number_restraints ?
|
| 459 |
+
_refine.occupancy_min ?
|
| 460 |
+
_refine.occupancy_max ?
|
| 461 |
+
_refine.B_iso_mean ?
|
| 462 |
+
_refine.aniso_B[1][1] ?
|
| 463 |
+
_refine.aniso_B[2][2] ?
|
| 464 |
+
_refine.aniso_B[3][3] ?
|
| 465 |
+
_refine.aniso_B[1][2] ?
|
| 466 |
+
_refine.aniso_B[1][3] ?
|
| 467 |
+
_refine.aniso_B[2][3] ?
|
| 468 |
+
_refine.solvent_model_details ?
|
| 469 |
+
_refine.solvent_model_param_ksol ?
|
| 470 |
+
_refine.solvent_model_param_bsol ?
|
| 471 |
+
_refine.pdbx_ls_cross_valid_method ?
|
| 472 |
+
_refine.details ?
|
| 473 |
+
_refine.pdbx_starting_model 'P2(1)2(1)2(1) structure of the same sequence of RNA/DNA hybrid'
|
| 474 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 475 |
+
_refine.pdbx_isotropic_thermal_model Isotropic
|
| 476 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 477 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 478 |
+
_refine.pdbx_R_Free_selection_details random
|
| 479 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 480 |
+
_refine.overall_SU_B ?
|
| 481 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 482 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 483 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 484 |
+
_refine.overall_SU_R_free ?
|
| 485 |
+
_refine.overall_SU_ML ?
|
| 486 |
+
_refine.pdbx_overall_ESU_R ?
|
| 487 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 488 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 489 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 490 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 491 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 492 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 493 |
+
_refine.pdbx_diffrn_id 1
|
| 494 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 495 |
+
_refine.pdbx_overall_phase_error ?
|
| 496 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 497 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 498 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 499 |
+
#
|
| 500 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 501 |
+
_refine_hist.cycle_id LAST
|
| 502 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 503 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 414
|
| 504 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 505 |
+
_refine_hist.number_atoms_solvent 66
|
| 506 |
+
_refine_hist.number_atoms_total 480
|
| 507 |
+
_refine_hist.d_res_high 2.38
|
| 508 |
+
_refine_hist.d_res_low 10
|
| 509 |
+
#
|
| 510 |
+
loop_
|
| 511 |
+
_refine_ls_restr.type
|
| 512 |
+
_refine_ls_restr.dev_ideal
|
| 513 |
+
_refine_ls_restr.dev_ideal_target
|
| 514 |
+
_refine_ls_restr.weight
|
| 515 |
+
_refine_ls_restr.number
|
| 516 |
+
_refine_ls_restr.pdbx_refine_id
|
| 517 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 518 |
+
x_bond_d 0.004 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 519 |
+
x_angle_deg 0.82 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 520 |
+
#
|
| 521 |
+
loop_
|
| 522 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used
|
| 523 |
+
_refine_ls_shell.d_res_low
|
| 524 |
+
_refine_ls_shell.d_res_high
|
| 525 |
+
_refine_ls_shell.number_reflns_R_work
|
| 526 |
+
_refine_ls_shell.R_factor_R_work
|
| 527 |
+
_refine_ls_shell.percent_reflns_obs
|
| 528 |
+
_refine_ls_shell.R_factor_R_free
|
| 529 |
+
_refine_ls_shell.R_factor_R_free_error
|
| 530 |
+
_refine_ls_shell.percent_reflns_R_free
|
| 531 |
+
_refine_ls_shell.number_reflns_R_free
|
| 532 |
+
_refine_ls_shell.redundancy_reflns_obs
|
| 533 |
+
_refine_ls_shell.pdbx_refine_id
|
| 534 |
+
_refine_ls_shell.number_reflns_all
|
| 535 |
+
_refine_ls_shell.R_factor_all
|
| 536 |
+
4 2.62 2.38 . 0.451 . 0.483 . . 22 . 'X-RAY DIFFRACTION' . .
|
| 537 |
+
4 2.99 2.62 . 0.305 . 0.36 . . 27 . 'X-RAY DIFFRACTION' . .
|
| 538 |
+
4 3.73 2.99 . 0.221 . 0.244 . . 41 . 'X-RAY DIFFRACTION' . .
|
| 539 |
+
4 10.0 3.73 . 0.158 . 0.162 . . 19 . 'X-RAY DIFFRACTION' . .
|
| 540 |
+
#
|
| 541 |
+
_database_PDB_matrix.entry_id 1JB8
|
| 542 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 543 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 544 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 545 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 546 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 547 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 548 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 549 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 550 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 551 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 552 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 553 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 554 |
+
#
|
| 555 |
+
_struct.entry_id 1JB8
|
| 556 |
+
_struct.title 'The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation'
|
| 557 |
+
_struct.pdbx_model_details ?
|
| 558 |
+
_struct.pdbx_CASP_flag ?
|
| 559 |
+
_struct.pdbx_model_type_details ?
|
| 560 |
+
#
|
| 561 |
+
_struct_keywords.entry_id 1JB8
|
| 562 |
+
_struct_keywords.pdbx_keywords DNA/RNA
|
| 563 |
+
_struct_keywords.text 'DNA/DNA intercalation, RNA/DNA hybrid, RNA/DNA polypurine tract, DNA-RNA COMPLEX'
|
| 564 |
+
#
|
| 565 |
+
loop_
|
| 566 |
+
_struct_asym.id
|
| 567 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 568 |
+
_struct_asym.pdbx_modified
|
| 569 |
+
_struct_asym.entity_id
|
| 570 |
+
_struct_asym.details
|
| 571 |
+
A N N 1 ?
|
| 572 |
+
B N N 2 ?
|
| 573 |
+
C N N 3 ?
|
| 574 |
+
D N N 3 ?
|
| 575 |
+
#
|
| 576 |
+
loop_
|
| 577 |
+
_struct_ref.id
|
| 578 |
+
_struct_ref.entity_id
|
| 579 |
+
_struct_ref.db_name
|
| 580 |
+
_struct_ref.db_code
|
| 581 |
+
_struct_ref.pdbx_db_accession
|
| 582 |
+
_struct_ref.pdbx_db_isoform
|
| 583 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 584 |
+
_struct_ref.pdbx_align_begin
|
| 585 |
+
1 1 PDB 1JB8 1JB8 ? ? ?
|
| 586 |
+
2 2 PDB 1JB8 1JB8 ? ? ?
|
| 587 |
+
#
|
| 588 |
+
loop_
|
| 589 |
+
_struct_ref_seq.align_id
|
| 590 |
+
_struct_ref_seq.ref_id
|
| 591 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 592 |
+
_struct_ref_seq.pdbx_strand_id
|
| 593 |
+
_struct_ref_seq.seq_align_beg
|
| 594 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 595 |
+
_struct_ref_seq.seq_align_end
|
| 596 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 597 |
+
_struct_ref_seq.pdbx_db_accession
|
| 598 |
+
_struct_ref_seq.db_align_beg
|
| 599 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 600 |
+
_struct_ref_seq.db_align_end
|
| 601 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 602 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 603 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 604 |
+
1 1 1JB8 A 1 ? 10 ? 1JB8 1 ? 10 ? 1 10
|
| 605 |
+
2 2 1JB8 B 1 ? 10 ? 1JB8 11 ? 20 ? 11 20
|
| 606 |
+
#
|
| 607 |
+
_pdbx_struct_assembly.id 1
|
| 608 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 609 |
+
_pdbx_struct_assembly.method_details ?
|
| 610 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 611 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 612 |
+
#
|
| 613 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 614 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 615 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
|
| 616 |
+
#
|
| 617 |
+
_pdbx_struct_oper_list.id 1
|
| 618 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 619 |
+
_pdbx_struct_oper_list.name 1_555
|
| 620 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 621 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 622 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 623 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 624 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 625 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 626 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 627 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 628 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 629 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 630 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 631 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 632 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 633 |
+
#
|
| 634 |
+
_struct_biol.id 1
|
| 635 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 636 |
+
_struct_biol.details ?
|
| 637 |
+
#
|
| 638 |
+
loop_
|
| 639 |
+
_struct_conn.id
|
| 640 |
+
_struct_conn.conn_type_id
|
| 641 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 642 |
+
_struct_conn.pdbx_PDB_id
|
| 643 |
+
_struct_conn.ptnr1_label_asym_id
|
| 644 |
+
_struct_conn.ptnr1_label_comp_id
|
| 645 |
+
_struct_conn.ptnr1_label_seq_id
|
| 646 |
+
_struct_conn.ptnr1_label_atom_id
|
| 647 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 648 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 649 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 650 |
+
_struct_conn.ptnr1_symmetry
|
| 651 |
+
_struct_conn.ptnr2_label_asym_id
|
| 652 |
+
_struct_conn.ptnr2_label_comp_id
|
| 653 |
+
_struct_conn.ptnr2_label_seq_id
|
| 654 |
+
_struct_conn.ptnr2_label_atom_id
|
| 655 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 656 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 657 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 658 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 659 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 660 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 661 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 662 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 663 |
+
_struct_conn.ptnr2_symmetry
|
| 664 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 665 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 666 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 667 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 668 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 669 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 670 |
+
_struct_conn.details
|
| 671 |
+
_struct_conn.pdbx_dist_value
|
| 672 |
+
_struct_conn.pdbx_value_order
|
| 673 |
+
_struct_conn.pdbx_role
|
| 674 |
+
hydrog1 hydrog ? ? A C 1 N3 ? ? ? 1_555 B DG 10 N1 ? ? A C 1 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 675 |
+
hydrog2 hydrog ? ? A C 1 N4 ? ? ? 1_555 B DG 10 O6 ? ? A C 1 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 676 |
+
hydrog3 hydrog ? ? A C 1 O2 ? ? ? 1_555 B DG 10 N2 ? ? A C 1 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 677 |
+
hydrog4 hydrog ? ? A A 2 N1 ? ? ? 1_555 B DT 9 N3 ? ? A A 2 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 678 |
+
hydrog5 hydrog ? ? A A 2 N6 ? ? ? 1_555 B DT 9 O4 ? ? A A 2 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 679 |
+
hydrog6 hydrog ? ? A A 3 N1 ? ? ? 1_555 B DT 8 N3 ? ? A A 3 B DT 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 680 |
+
hydrog7 hydrog ? ? A A 3 N6 ? ? ? 1_555 B DT 8 O4 ? ? A A 3 B DT 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 681 |
+
hydrog8 hydrog ? ? A A 4 N1 ? ? ? 1_555 B DT 7 N3 ? ? A A 4 B DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 682 |
+
hydrog9 hydrog ? ? A A 4 N6 ? ? ? 1_555 B DT 7 O4 ? ? A A 4 B DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 683 |
+
hydrog10 hydrog ? ? A G 5 N1 ? ? ? 1_555 B DC 6 N3 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 684 |
+
hydrog11 hydrog ? ? A G 5 N2 ? ? ? 1_555 B DC 6 O2 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 685 |
+
hydrog12 hydrog ? ? A G 5 O6 ? ? ? 1_555 B DC 6 N4 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 686 |
+
hydrog13 hydrog ? ? A A 6 N1 ? ? ? 1_555 B DT 5 N3 ? ? A A 6 B DT 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 687 |
+
hydrog14 hydrog ? ? A A 6 N6 ? ? ? 1_555 B DT 5 O4 ? ? A A 6 B DT 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 688 |
+
hydrog15 hydrog ? ? A A 7 N1 ? ? ? 1_555 B DT 4 N3 ? ? A A 7 B DT 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 689 |
+
hydrog16 hydrog ? ? A A 7 N6 ? ? ? 1_555 B DT 4 O4 ? ? A A 7 B DT 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 690 |
+
hydrog17 hydrog ? ? A A 8 N1 ? ? ? 1_555 B DT 3 N3 ? ? A A 8 B DT 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 691 |
+
hydrog18 hydrog ? ? A A 8 N6 ? ? ? 1_555 B DT 3 O4 ? ? A A 8 B DT 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 692 |
+
hydrog19 hydrog ? ? A A 9 N1 ? ? ? 1_555 B DT 2 N3 ? ? A A 9 B DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 693 |
+
hydrog20 hydrog ? ? A A 9 N6 ? ? ? 1_555 B DT 2 O4 ? ? A A 9 B DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 694 |
+
hydrog21 hydrog ? ? A G 10 N1 ? ? ? 1_555 B DC 1 N3 ? ? A G 10 B DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 695 |
+
hydrog22 hydrog ? ? A G 10 N2 ? ? ? 1_555 B DC 1 O2 ? ? A G 10 B DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 696 |
+
hydrog23 hydrog ? ? A G 10 O6 ? ? ? 1_555 B DC 1 N4 ? ? A G 10 B DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 697 |
+
#
|
| 698 |
+
_struct_conn_type.id hydrog
|
| 699 |
+
_struct_conn_type.criteria ?
|
| 700 |
+
_struct_conn_type.reference ?
|
| 701 |
+
#
|
| 702 |
+
_pdbx_struct_special_symmetry.id 1
|
| 703 |
+
_pdbx_struct_special_symmetry.PDB_model_num 1
|
| 704 |
+
_pdbx_struct_special_symmetry.auth_asym_id A
|
| 705 |
+
_pdbx_struct_special_symmetry.auth_comp_id HOH
|
| 706 |
+
_pdbx_struct_special_symmetry.auth_seq_id 160
|
| 707 |
+
_pdbx_struct_special_symmetry.PDB_ins_code ?
|
| 708 |
+
_pdbx_struct_special_symmetry.label_asym_id C
|
| 709 |
+
_pdbx_struct_special_symmetry.label_comp_id HOH
|
| 710 |
+
_pdbx_struct_special_symmetry.label_seq_id .
|
| 711 |
+
#
|
| 712 |
+
loop_
|
| 713 |
+
_chem_comp_atom.comp_id
|
| 714 |
+
_chem_comp_atom.atom_id
|
| 715 |
+
_chem_comp_atom.type_symbol
|
| 716 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 717 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 718 |
+
_chem_comp_atom.pdbx_ordinal
|
| 719 |
+
A OP3 O N N 1
|
| 720 |
+
A P P N N 2
|
| 721 |
+
A OP1 O N N 3
|
| 722 |
+
A OP2 O N N 4
|
| 723 |
+
A "O5'" O N N 5
|
| 724 |
+
A "C5'" C N N 6
|
| 725 |
+
A "C4'" C N R 7
|
| 726 |
+
A "O4'" O N N 8
|
| 727 |
+
A "C3'" C N S 9
|
| 728 |
+
A "O3'" O N N 10
|
| 729 |
+
A "C2'" C N R 11
|
| 730 |
+
A "O2'" O N N 12
|
| 731 |
+
A "C1'" C N R 13
|
| 732 |
+
A N9 N Y N 14
|
| 733 |
+
A C8 C Y N 15
|
| 734 |
+
A N7 N Y N 16
|
| 735 |
+
A C5 C Y N 17
|
| 736 |
+
A C6 C Y N 18
|
| 737 |
+
A N6 N N N 19
|
| 738 |
+
A N1 N Y N 20
|
| 739 |
+
A C2 C Y N 21
|
| 740 |
+
A N3 N Y N 22
|
| 741 |
+
A C4 C Y N 23
|
| 742 |
+
A HOP3 H N N 24
|
| 743 |
+
A HOP2 H N N 25
|
| 744 |
+
A "H5'" H N N 26
|
| 745 |
+
A "H5''" H N N 27
|
| 746 |
+
A "H4'" H N N 28
|
| 747 |
+
A "H3'" H N N 29
|
| 748 |
+
A "HO3'" H N N 30
|
| 749 |
+
A "H2'" H N N 31
|
| 750 |
+
A "HO2'" H N N 32
|
| 751 |
+
A "H1'" H N N 33
|
| 752 |
+
A H8 H N N 34
|
| 753 |
+
A H61 H N N 35
|
| 754 |
+
A H62 H N N 36
|
| 755 |
+
A H2 H N N 37
|
| 756 |
+
C OP3 O N N 38
|
| 757 |
+
C P P N N 39
|
| 758 |
+
C OP1 O N N 40
|
| 759 |
+
C OP2 O N N 41
|
| 760 |
+
C "O5'" O N N 42
|
| 761 |
+
C "C5'" C N N 43
|
| 762 |
+
C "C4'" C N R 44
|
| 763 |
+
C "O4'" O N N 45
|
| 764 |
+
C "C3'" C N S 46
|
| 765 |
+
C "O3'" O N N 47
|
| 766 |
+
C "C2'" C N R 48
|
| 767 |
+
C "O2'" O N N 49
|
| 768 |
+
C "C1'" C N R 50
|
| 769 |
+
C N1 N N N 51
|
| 770 |
+
C C2 C N N 52
|
| 771 |
+
C O2 O N N 53
|
| 772 |
+
C N3 N N N 54
|
| 773 |
+
C C4 C N N 55
|
| 774 |
+
C N4 N N N 56
|
| 775 |
+
C C5 C N N 57
|
| 776 |
+
C C6 C N N 58
|
| 777 |
+
C HOP3 H N N 59
|
| 778 |
+
C HOP2 H N N 60
|
| 779 |
+
C "H5'" H N N 61
|
| 780 |
+
C "H5''" H N N 62
|
| 781 |
+
C "H4'" H N N 63
|
| 782 |
+
C "H3'" H N N 64
|
| 783 |
+
C "HO3'" H N N 65
|
| 784 |
+
C "H2'" H N N 66
|
| 785 |
+
C "HO2'" H N N 67
|
| 786 |
+
C "H1'" H N N 68
|
| 787 |
+
C H41 H N N 69
|
| 788 |
+
C H42 H N N 70
|
| 789 |
+
C H5 H N N 71
|
| 790 |
+
C H6 H N N 72
|
| 791 |
+
DC OP3 O N N 73
|
| 792 |
+
DC P P N N 74
|
| 793 |
+
DC OP1 O N N 75
|
| 794 |
+
DC OP2 O N N 76
|
| 795 |
+
DC "O5'" O N N 77
|
| 796 |
+
DC "C5'" C N N 78
|
| 797 |
+
DC "C4'" C N R 79
|
| 798 |
+
DC "O4'" O N N 80
|
| 799 |
+
DC "C3'" C N S 81
|
| 800 |
+
DC "O3'" O N N 82
|
| 801 |
+
DC "C2'" C N N 83
|
| 802 |
+
DC "C1'" C N R 84
|
| 803 |
+
DC N1 N N N 85
|
| 804 |
+
DC C2 C N N 86
|
| 805 |
+
DC O2 O N N 87
|
| 806 |
+
DC N3 N N N 88
|
| 807 |
+
DC C4 C N N 89
|
| 808 |
+
DC N4 N N N 90
|
| 809 |
+
DC C5 C N N 91
|
| 810 |
+
DC C6 C N N 92
|
| 811 |
+
DC HOP3 H N N 93
|
| 812 |
+
DC HOP2 H N N 94
|
| 813 |
+
DC "H5'" H N N 95
|
| 814 |
+
DC "H5''" H N N 96
|
| 815 |
+
DC "H4'" H N N 97
|
| 816 |
+
DC "H3'" H N N 98
|
| 817 |
+
DC "HO3'" H N N 99
|
| 818 |
+
DC "H2'" H N N 100
|
| 819 |
+
DC "H2''" H N N 101
|
| 820 |
+
DC "H1'" H N N 102
|
| 821 |
+
DC H41 H N N 103
|
| 822 |
+
DC H42 H N N 104
|
| 823 |
+
DC H5 H N N 105
|
| 824 |
+
DC H6 H N N 106
|
| 825 |
+
DG OP3 O N N 107
|
| 826 |
+
DG P P N N 108
|
| 827 |
+
DG OP1 O N N 109
|
| 828 |
+
DG OP2 O N N 110
|
| 829 |
+
DG "O5'" O N N 111
|
| 830 |
+
DG "C5'" C N N 112
|
| 831 |
+
DG "C4'" C N R 113
|
| 832 |
+
DG "O4'" O N N 114
|
| 833 |
+
DG "C3'" C N S 115
|
| 834 |
+
DG "O3'" O N N 116
|
| 835 |
+
DG "C2'" C N N 117
|
| 836 |
+
DG "C1'" C N R 118
|
| 837 |
+
DG N9 N Y N 119
|
| 838 |
+
DG C8 C Y N 120
|
| 839 |
+
DG N7 N Y N 121
|
| 840 |
+
DG C5 C Y N 122
|
| 841 |
+
DG C6 C N N 123
|
| 842 |
+
DG O6 O N N 124
|
| 843 |
+
DG N1 N N N 125
|
| 844 |
+
DG C2 C N N 126
|
| 845 |
+
DG N2 N N N 127
|
| 846 |
+
DG N3 N N N 128
|
| 847 |
+
DG C4 C Y N 129
|
| 848 |
+
DG HOP3 H N N 130
|
| 849 |
+
DG HOP2 H N N 131
|
| 850 |
+
DG "H5'" H N N 132
|
| 851 |
+
DG "H5''" H N N 133
|
| 852 |
+
DG "H4'" H N N 134
|
| 853 |
+
DG "H3'" H N N 135
|
| 854 |
+
DG "HO3'" H N N 136
|
| 855 |
+
DG "H2'" H N N 137
|
| 856 |
+
DG "H2''" H N N 138
|
| 857 |
+
DG "H1'" H N N 139
|
| 858 |
+
DG H8 H N N 140
|
| 859 |
+
DG H1 H N N 141
|
| 860 |
+
DG H21 H N N 142
|
| 861 |
+
DG H22 H N N 143
|
| 862 |
+
DT OP3 O N N 144
|
| 863 |
+
DT P P N N 145
|
| 864 |
+
DT OP1 O N N 146
|
| 865 |
+
DT OP2 O N N 147
|
| 866 |
+
DT "O5'" O N N 148
|
| 867 |
+
DT "C5'" C N N 149
|
| 868 |
+
DT "C4'" C N R 150
|
| 869 |
+
DT "O4'" O N N 151
|
| 870 |
+
DT "C3'" C N S 152
|
| 871 |
+
DT "O3'" O N N 153
|
| 872 |
+
DT "C2'" C N N 154
|
| 873 |
+
DT "C1'" C N R 155
|
| 874 |
+
DT N1 N N N 156
|
| 875 |
+
DT C2 C N N 157
|
| 876 |
+
DT O2 O N N 158
|
| 877 |
+
DT N3 N N N 159
|
| 878 |
+
DT C4 C N N 160
|
| 879 |
+
DT O4 O N N 161
|
| 880 |
+
DT C5 C N N 162
|
| 881 |
+
DT C7 C N N 163
|
| 882 |
+
DT C6 C N N 164
|
| 883 |
+
DT HOP3 H N N 165
|
| 884 |
+
DT HOP2 H N N 166
|
| 885 |
+
DT "H5'" H N N 167
|
| 886 |
+
DT "H5''" H N N 168
|
| 887 |
+
DT "H4'" H N N 169
|
| 888 |
+
DT "H3'" H N N 170
|
| 889 |
+
DT "HO3'" H N N 171
|
| 890 |
+
DT "H2'" H N N 172
|
| 891 |
+
DT "H2''" H N N 173
|
| 892 |
+
DT "H1'" H N N 174
|
| 893 |
+
DT H3 H N N 175
|
| 894 |
+
DT H71 H N N 176
|
| 895 |
+
DT H72 H N N 177
|
| 896 |
+
DT H73 H N N 178
|
| 897 |
+
DT H6 H N N 179
|
| 898 |
+
G OP3 O N N 180
|
| 899 |
+
G P P N N 181
|
| 900 |
+
G OP1 O N N 182
|
| 901 |
+
G OP2 O N N 183
|
| 902 |
+
G "O5'" O N N 184
|
| 903 |
+
G "C5'" C N N 185
|
| 904 |
+
G "C4'" C N R 186
|
| 905 |
+
G "O4'" O N N 187
|
| 906 |
+
G "C3'" C N S 188
|
| 907 |
+
G "O3'" O N N 189
|
| 908 |
+
G "C2'" C N R 190
|
| 909 |
+
G "O2'" O N N 191
|
| 910 |
+
G "C1'" C N R 192
|
| 911 |
+
G N9 N Y N 193
|
| 912 |
+
G C8 C Y N 194
|
| 913 |
+
G N7 N Y N 195
|
| 914 |
+
G C5 C Y N 196
|
| 915 |
+
G C6 C N N 197
|
| 916 |
+
G O6 O N N 198
|
| 917 |
+
G N1 N N N 199
|
| 918 |
+
G C2 C N N 200
|
| 919 |
+
G N2 N N N 201
|
| 920 |
+
G N3 N N N 202
|
| 921 |
+
G C4 C Y N 203
|
| 922 |
+
G HOP3 H N N 204
|
| 923 |
+
G HOP2 H N N 205
|
| 924 |
+
G "H5'" H N N 206
|
| 925 |
+
G "H5''" H N N 207
|
| 926 |
+
G "H4'" H N N 208
|
| 927 |
+
G "H3'" H N N 209
|
| 928 |
+
G "HO3'" H N N 210
|
| 929 |
+
G "H2'" H N N 211
|
| 930 |
+
G "HO2'" H N N 212
|
| 931 |
+
G "H1'" H N N 213
|
| 932 |
+
G H8 H N N 214
|
| 933 |
+
G H1 H N N 215
|
| 934 |
+
G H21 H N N 216
|
| 935 |
+
G H22 H N N 217
|
| 936 |
+
HOH O O N N 218
|
| 937 |
+
HOH H1 H N N 219
|
| 938 |
+
HOH H2 H N N 220
|
| 939 |
+
#
|
| 940 |
+
loop_
|
| 941 |
+
_chem_comp_bond.comp_id
|
| 942 |
+
_chem_comp_bond.atom_id_1
|
| 943 |
+
_chem_comp_bond.atom_id_2
|
| 944 |
+
_chem_comp_bond.value_order
|
| 945 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 946 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 947 |
+
_chem_comp_bond.pdbx_ordinal
|
| 948 |
+
A OP3 P sing N N 1
|
| 949 |
+
A OP3 HOP3 sing N N 2
|
| 950 |
+
A P OP1 doub N N 3
|
| 951 |
+
A P OP2 sing N N 4
|
| 952 |
+
A P "O5'" sing N N 5
|
| 953 |
+
A OP2 HOP2 sing N N 6
|
| 954 |
+
A "O5'" "C5'" sing N N 7
|
| 955 |
+
A "C5'" "C4'" sing N N 8
|
| 956 |
+
A "C5'" "H5'" sing N N 9
|
| 957 |
+
A "C5'" "H5''" sing N N 10
|
| 958 |
+
A "C4'" "O4'" sing N N 11
|
| 959 |
+
A "C4'" "C3'" sing N N 12
|
| 960 |
+
A "C4'" "H4'" sing N N 13
|
| 961 |
+
A "O4'" "C1'" sing N N 14
|
| 962 |
+
A "C3'" "O3'" sing N N 15
|
| 963 |
+
A "C3'" "C2'" sing N N 16
|
| 964 |
+
A "C3'" "H3'" sing N N 17
|
| 965 |
+
A "O3'" "HO3'" sing N N 18
|
| 966 |
+
A "C2'" "O2'" sing N N 19
|
| 967 |
+
A "C2'" "C1'" sing N N 20
|
| 968 |
+
A "C2'" "H2'" sing N N 21
|
| 969 |
+
A "O2'" "HO2'" sing N N 22
|
| 970 |
+
A "C1'" N9 sing N N 23
|
| 971 |
+
A "C1'" "H1'" sing N N 24
|
| 972 |
+
A N9 C8 sing Y N 25
|
| 973 |
+
A N9 C4 sing Y N 26
|
| 974 |
+
A C8 N7 doub Y N 27
|
| 975 |
+
A C8 H8 sing N N 28
|
| 976 |
+
A N7 C5 sing Y N 29
|
| 977 |
+
A C5 C6 sing Y N 30
|
| 978 |
+
A C5 C4 doub Y N 31
|
| 979 |
+
A C6 N6 sing N N 32
|
| 980 |
+
A C6 N1 doub Y N 33
|
| 981 |
+
A N6 H61 sing N N 34
|
| 982 |
+
A N6 H62 sing N N 35
|
| 983 |
+
A N1 C2 sing Y N 36
|
| 984 |
+
A C2 N3 doub Y N 37
|
| 985 |
+
A C2 H2 sing N N 38
|
| 986 |
+
A N3 C4 sing Y N 39
|
| 987 |
+
C OP3 P sing N N 40
|
| 988 |
+
C OP3 HOP3 sing N N 41
|
| 989 |
+
C P OP1 doub N N 42
|
| 990 |
+
C P OP2 sing N N 43
|
| 991 |
+
C P "O5'" sing N N 44
|
| 992 |
+
C OP2 HOP2 sing N N 45
|
| 993 |
+
C "O5'" "C5'" sing N N 46
|
| 994 |
+
C "C5'" "C4'" sing N N 47
|
| 995 |
+
C "C5'" "H5'" sing N N 48
|
| 996 |
+
C "C5'" "H5''" sing N N 49
|
| 997 |
+
C "C4'" "O4'" sing N N 50
|
| 998 |
+
C "C4'" "C3'" sing N N 51
|
| 999 |
+
C "C4'" "H4'" sing N N 52
|
| 1000 |
+
C "O4'" "C1'" sing N N 53
|
| 1001 |
+
C "C3'" "O3'" sing N N 54
|
| 1002 |
+
C "C3'" "C2'" sing N N 55
|
| 1003 |
+
C "C3'" "H3'" sing N N 56
|
| 1004 |
+
C "O3'" "HO3'" sing N N 57
|
| 1005 |
+
C "C2'" "O2'" sing N N 58
|
| 1006 |
+
C "C2'" "C1'" sing N N 59
|
| 1007 |
+
C "C2'" "H2'" sing N N 60
|
| 1008 |
+
C "O2'" "HO2'" sing N N 61
|
| 1009 |
+
C "C1'" N1 sing N N 62
|
| 1010 |
+
C "C1'" "H1'" sing N N 63
|
| 1011 |
+
C N1 C2 sing N N 64
|
| 1012 |
+
C N1 C6 sing N N 65
|
| 1013 |
+
C C2 O2 doub N N 66
|
| 1014 |
+
C C2 N3 sing N N 67
|
| 1015 |
+
C N3 C4 doub N N 68
|
| 1016 |
+
C C4 N4 sing N N 69
|
| 1017 |
+
C C4 C5 sing N N 70
|
| 1018 |
+
C N4 H41 sing N N 71
|
| 1019 |
+
C N4 H42 sing N N 72
|
| 1020 |
+
C C5 C6 doub N N 73
|
| 1021 |
+
C C5 H5 sing N N 74
|
| 1022 |
+
C C6 H6 sing N N 75
|
| 1023 |
+
DC OP3 P sing N N 76
|
| 1024 |
+
DC OP3 HOP3 sing N N 77
|
| 1025 |
+
DC P OP1 doub N N 78
|
| 1026 |
+
DC P OP2 sing N N 79
|
| 1027 |
+
DC P "O5'" sing N N 80
|
| 1028 |
+
DC OP2 HOP2 sing N N 81
|
| 1029 |
+
DC "O5'" "C5'" sing N N 82
|
| 1030 |
+
DC "C5'" "C4'" sing N N 83
|
| 1031 |
+
DC "C5'" "H5'" sing N N 84
|
| 1032 |
+
DC "C5'" "H5''" sing N N 85
|
| 1033 |
+
DC "C4'" "O4'" sing N N 86
|
| 1034 |
+
DC "C4'" "C3'" sing N N 87
|
| 1035 |
+
DC "C4'" "H4'" sing N N 88
|
| 1036 |
+
DC "O4'" "C1'" sing N N 89
|
| 1037 |
+
DC "C3'" "O3'" sing N N 90
|
| 1038 |
+
DC "C3'" "C2'" sing N N 91
|
| 1039 |
+
DC "C3'" "H3'" sing N N 92
|
| 1040 |
+
DC "O3'" "HO3'" sing N N 93
|
| 1041 |
+
DC "C2'" "C1'" sing N N 94
|
| 1042 |
+
DC "C2'" "H2'" sing N N 95
|
| 1043 |
+
DC "C2'" "H2''" sing N N 96
|
| 1044 |
+
DC "C1'" N1 sing N N 97
|
| 1045 |
+
DC "C1'" "H1'" sing N N 98
|
| 1046 |
+
DC N1 C2 sing N N 99
|
| 1047 |
+
DC N1 C6 sing N N 100
|
| 1048 |
+
DC C2 O2 doub N N 101
|
| 1049 |
+
DC C2 N3 sing N N 102
|
| 1050 |
+
DC N3 C4 doub N N 103
|
| 1051 |
+
DC C4 N4 sing N N 104
|
| 1052 |
+
DC C4 C5 sing N N 105
|
| 1053 |
+
DC N4 H41 sing N N 106
|
| 1054 |
+
DC N4 H42 sing N N 107
|
| 1055 |
+
DC C5 C6 doub N N 108
|
| 1056 |
+
DC C5 H5 sing N N 109
|
| 1057 |
+
DC C6 H6 sing N N 110
|
| 1058 |
+
DG OP3 P sing N N 111
|
| 1059 |
+
DG OP3 HOP3 sing N N 112
|
| 1060 |
+
DG P OP1 doub N N 113
|
| 1061 |
+
DG P OP2 sing N N 114
|
| 1062 |
+
DG P "O5'" sing N N 115
|
| 1063 |
+
DG OP2 HOP2 sing N N 116
|
| 1064 |
+
DG "O5'" "C5'" sing N N 117
|
| 1065 |
+
DG "C5'" "C4'" sing N N 118
|
| 1066 |
+
DG "C5'" "H5'" sing N N 119
|
| 1067 |
+
DG "C5'" "H5''" sing N N 120
|
| 1068 |
+
DG "C4'" "O4'" sing N N 121
|
| 1069 |
+
DG "C4'" "C3'" sing N N 122
|
| 1070 |
+
DG "C4'" "H4'" sing N N 123
|
| 1071 |
+
DG "O4'" "C1'" sing N N 124
|
| 1072 |
+
DG "C3'" "O3'" sing N N 125
|
| 1073 |
+
DG "C3'" "C2'" sing N N 126
|
| 1074 |
+
DG "C3'" "H3'" sing N N 127
|
| 1075 |
+
DG "O3'" "HO3'" sing N N 128
|
| 1076 |
+
DG "C2'" "C1'" sing N N 129
|
| 1077 |
+
DG "C2'" "H2'" sing N N 130
|
| 1078 |
+
DG "C2'" "H2''" sing N N 131
|
| 1079 |
+
DG "C1'" N9 sing N N 132
|
| 1080 |
+
DG "C1'" "H1'" sing N N 133
|
| 1081 |
+
DG N9 C8 sing Y N 134
|
| 1082 |
+
DG N9 C4 sing Y N 135
|
| 1083 |
+
DG C8 N7 doub Y N 136
|
| 1084 |
+
DG C8 H8 sing N N 137
|
| 1085 |
+
DG N7 C5 sing Y N 138
|
| 1086 |
+
DG C5 C6 sing N N 139
|
| 1087 |
+
DG C5 C4 doub Y N 140
|
| 1088 |
+
DG C6 O6 doub N N 141
|
| 1089 |
+
DG C6 N1 sing N N 142
|
| 1090 |
+
DG N1 C2 sing N N 143
|
| 1091 |
+
DG N1 H1 sing N N 144
|
| 1092 |
+
DG C2 N2 sing N N 145
|
| 1093 |
+
DG C2 N3 doub N N 146
|
| 1094 |
+
DG N2 H21 sing N N 147
|
| 1095 |
+
DG N2 H22 sing N N 148
|
| 1096 |
+
DG N3 C4 sing N N 149
|
| 1097 |
+
DT OP3 P sing N N 150
|
| 1098 |
+
DT OP3 HOP3 sing N N 151
|
| 1099 |
+
DT P OP1 doub N N 152
|
| 1100 |
+
DT P OP2 sing N N 153
|
| 1101 |
+
DT P "O5'" sing N N 154
|
| 1102 |
+
DT OP2 HOP2 sing N N 155
|
| 1103 |
+
DT "O5'" "C5'" sing N N 156
|
| 1104 |
+
DT "C5'" "C4'" sing N N 157
|
| 1105 |
+
DT "C5'" "H5'" sing N N 158
|
| 1106 |
+
DT "C5'" "H5''" sing N N 159
|
| 1107 |
+
DT "C4'" "O4'" sing N N 160
|
| 1108 |
+
DT "C4'" "C3'" sing N N 161
|
| 1109 |
+
DT "C4'" "H4'" sing N N 162
|
| 1110 |
+
DT "O4'" "C1'" sing N N 163
|
| 1111 |
+
DT "C3'" "O3'" sing N N 164
|
| 1112 |
+
DT "C3'" "C2'" sing N N 165
|
| 1113 |
+
DT "C3'" "H3'" sing N N 166
|
| 1114 |
+
DT "O3'" "HO3'" sing N N 167
|
| 1115 |
+
DT "C2'" "C1'" sing N N 168
|
| 1116 |
+
DT "C2'" "H2'" sing N N 169
|
| 1117 |
+
DT "C2'" "H2''" sing N N 170
|
| 1118 |
+
DT "C1'" N1 sing N N 171
|
| 1119 |
+
DT "C1'" "H1'" sing N N 172
|
| 1120 |
+
DT N1 C2 sing N N 173
|
| 1121 |
+
DT N1 C6 sing N N 174
|
| 1122 |
+
DT C2 O2 doub N N 175
|
| 1123 |
+
DT C2 N3 sing N N 176
|
| 1124 |
+
DT N3 C4 sing N N 177
|
| 1125 |
+
DT N3 H3 sing N N 178
|
| 1126 |
+
DT C4 O4 doub N N 179
|
| 1127 |
+
DT C4 C5 sing N N 180
|
| 1128 |
+
DT C5 C7 sing N N 181
|
| 1129 |
+
DT C5 C6 doub N N 182
|
| 1130 |
+
DT C7 H71 sing N N 183
|
| 1131 |
+
DT C7 H72 sing N N 184
|
| 1132 |
+
DT C7 H73 sing N N 185
|
| 1133 |
+
DT C6 H6 sing N N 186
|
| 1134 |
+
G OP3 P sing N N 187
|
| 1135 |
+
G OP3 HOP3 sing N N 188
|
| 1136 |
+
G P OP1 doub N N 189
|
| 1137 |
+
G P OP2 sing N N 190
|
| 1138 |
+
G P "O5'" sing N N 191
|
| 1139 |
+
G OP2 HOP2 sing N N 192
|
| 1140 |
+
G "O5'" "C5'" sing N N 193
|
| 1141 |
+
G "C5'" "C4'" sing N N 194
|
| 1142 |
+
G "C5'" "H5'" sing N N 195
|
| 1143 |
+
G "C5'" "H5''" sing N N 196
|
| 1144 |
+
G "C4'" "O4'" sing N N 197
|
| 1145 |
+
G "C4'" "C3'" sing N N 198
|
| 1146 |
+
G "C4'" "H4'" sing N N 199
|
| 1147 |
+
G "O4'" "C1'" sing N N 200
|
| 1148 |
+
G "C3'" "O3'" sing N N 201
|
| 1149 |
+
G "C3'" "C2'" sing N N 202
|
| 1150 |
+
G "C3'" "H3'" sing N N 203
|
| 1151 |
+
G "O3'" "HO3'" sing N N 204
|
| 1152 |
+
G "C2'" "O2'" sing N N 205
|
| 1153 |
+
G "C2'" "C1'" sing N N 206
|
| 1154 |
+
G "C2'" "H2'" sing N N 207
|
| 1155 |
+
G "O2'" "HO2'" sing N N 208
|
| 1156 |
+
G "C1'" N9 sing N N 209
|
| 1157 |
+
G "C1'" "H1'" sing N N 210
|
| 1158 |
+
G N9 C8 sing Y N 211
|
| 1159 |
+
G N9 C4 sing Y N 212
|
| 1160 |
+
G C8 N7 doub Y N 213
|
| 1161 |
+
G C8 H8 sing N N 214
|
| 1162 |
+
G N7 C5 sing Y N 215
|
| 1163 |
+
G C5 C6 sing N N 216
|
| 1164 |
+
G C5 C4 doub Y N 217
|
| 1165 |
+
G C6 O6 doub N N 218
|
| 1166 |
+
G C6 N1 sing N N 219
|
| 1167 |
+
G N1 C2 sing N N 220
|
| 1168 |
+
G N1 H1 sing N N 221
|
| 1169 |
+
G C2 N2 sing N N 222
|
| 1170 |
+
G C2 N3 doub N N 223
|
| 1171 |
+
G N2 H21 sing N N 224
|
| 1172 |
+
G N2 H22 sing N N 225
|
| 1173 |
+
G N3 C4 sing N N 226
|
| 1174 |
+
HOH O H1 sing N N 227
|
| 1175 |
+
HOH O H2 sing N N 228
|
| 1176 |
+
#
|
| 1177 |
+
loop_
|
| 1178 |
+
_ndb_struct_conf_na.entry_id
|
| 1179 |
+
_ndb_struct_conf_na.feature
|
| 1180 |
+
1JB8 'double helix'
|
| 1181 |
+
1JB8 'a-form double helix'
|
| 1182 |
+
#
|
| 1183 |
+
loop_
|
| 1184 |
+
_ndb_struct_na_base_pair.model_number
|
| 1185 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1186 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1187 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1188 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1189 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1190 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1191 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1192 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1193 |
+
_ndb_struct_na_base_pair.shear
|
| 1194 |
+
_ndb_struct_na_base_pair.stretch
|
| 1195 |
+
_ndb_struct_na_base_pair.stagger
|
| 1196 |
+
_ndb_struct_na_base_pair.buckle
|
| 1197 |
+
_ndb_struct_na_base_pair.propeller
|
| 1198 |
+
_ndb_struct_na_base_pair.opening
|
| 1199 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1200 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1201 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1202 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1203 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1204 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1205 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1206 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1207 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1208 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1209 |
+
1 A C 1 1_555 B DG 10 1_555 -0.268 -0.035 -0.025 -4.355 -6.104 2.948 1 A_C1:DG20_B A 1 ? B 20 ? 19 1
|
| 1210 |
+
1 A A 2 1_555 B DT 9 1_555 0.005 -0.198 0.193 7.935 -11.307 5.142 2 A_A2:DT19_B A 2 ? B 19 ? 20 1
|
| 1211 |
+
1 A A 3 1_555 B DT 8 1_555 0.042 -0.036 0.254 11.878 -18.420 2.096 3 A_A3:DT18_B A 3 ? B 18 ? 20 1
|
| 1212 |
+
1 A A 4 1_555 B DT 7 1_555 -0.260 -0.189 -0.112 2.380 -16.977 14.072 4 A_A4:DT17_B A 4 ? B 17 ? 20 1
|
| 1213 |
+
1 A G 5 1_555 B DC 6 1_555 -0.363 -0.294 -0.204 -10.198 -2.594 -0.465 5 A_G5:DC16_B A 5 ? B 16 ? 19 1
|
| 1214 |
+
1 A A 6 1_555 B DT 5 1_555 0.708 -0.234 -0.226 -9.277 -4.959 5.663 6 A_A6:DT15_B A 6 ? B 15 ? 20 1
|
| 1215 |
+
1 A A 7 1_555 B DT 4 1_555 0.189 -0.261 -0.535 -14.170 -6.783 4.615 7 A_A7:DT14_B A 7 ? B 14 ? 20 1
|
| 1216 |
+
1 A A 8 1_555 B DT 3 1_555 0.119 -0.394 -0.286 -3.829 -4.525 -0.439 8 A_A8:DT13_B A 8 ? B 13 ? 20 1
|
| 1217 |
+
1 A A 9 1_555 B DT 2 1_555 0.169 -0.293 0.162 5.574 -1.230 0.446 9 A_A9:DT12_B A 9 ? B 12 ? 20 1
|
| 1218 |
+
1 A G 10 1_555 B DC 1 1_555 -0.344 -0.174 -0.010 11.470 1.386 2.814 10 A_G10:DC11_B A 10 ? B 11 ? 19 1
|
| 1219 |
+
#
|
| 1220 |
+
loop_
|
| 1221 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1222 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1223 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1224 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1225 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1226 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1227 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1228 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1229 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1230 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1231 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1232 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1233 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1234 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1235 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1236 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1237 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1238 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1239 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1240 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1241 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1242 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1243 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1244 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1245 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1246 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1247 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1248 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1249 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1250 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1251 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1252 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1253 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1254 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1255 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1256 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1257 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1258 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1259 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1260 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1261 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1262 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1263 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1264 |
+
1 A C 1 1_555 B DG 10 1_555 A A 2 1_555 B DT 9 1_555 0.723 -0.011 6.406 -2.022 2.787 13.668 -5.139 -6.642 6.108 11.473 8.323
|
| 1265 |
+
14.093 1 AA_C1A2:DT19DG20_BB A 1 ? B 20 ? A 2 ? B 19 ?
|
| 1266 |
+
1 A A 2 1_555 B DT 9 1_555 A A 3 1_555 B DT 8 1_555 0.285 -0.642 3.130 -1.074 -3.478 32.811 -0.559 -0.678 3.169 -6.134 1.893
|
| 1267 |
+
33.007 2 AA_A2A3:DT18DT19_BB A 2 ? B 19 ? A 3 ? B 18 ?
|
| 1268 |
+
1 A A 3 1_555 B DT 8 1_555 A A 4 1_555 B DT 7 1_555 0.758 -1.206 3.520 0.210 7.883 31.394 -3.606 -1.322 3.137 14.287 -0.380
|
| 1269 |
+
32.345 3 AA_A3A4:DT17DT18_BB A 3 ? B 18 ? A 4 ? B 17 ?
|
| 1270 |
+
1 A A 4 1_555 B DT 7 1_555 A G 5 1_555 B DC 6 1_555 -1.832 -1.316 3.388 -7.519 14.654 35.440 -3.781 1.818 2.955 22.627 11.610
|
| 1271 |
+
38.968 4 AA_A4G5:DC16DT17_BB A 4 ? B 17 ? A 5 ? B 16 ?
|
| 1272 |
+
1 A G 5 1_555 B DC 6 1_555 A A 6 1_555 B DT 5 1_555 0.683 -1.618 3.332 3.882 9.375 36.186 -3.704 -0.570 2.894 14.741 -6.103
|
| 1273 |
+
37.536 5 AA_G5A6:DT15DC16_BB A 5 ? B 16 ? A 6 ? B 15 ?
|
| 1274 |
+
1 A A 6 1_555 B DT 5 1_555 A A 7 1_555 B DT 4 1_555 0.729 -1.985 3.509 7.204 7.585 26.656 -5.776 0.195 2.938 15.703 -14.915
|
| 1275 |
+
28.600 6 AA_A6A7:DT14DT15_BB A 6 ? B 15 ? A 7 ? B 14 ?
|
| 1276 |
+
1 A A 7 1_555 B DT 4 1_555 A A 8 1_555 B DT 3 1_555 0.020 -1.920 3.195 -1.509 1.991 28.862 -4.260 -0.359 3.054 3.984 3.020
|
| 1277 |
+
28.968 7 AA_A7A8:DT13DT14_BB A 7 ? B 14 ? A 8 ? B 13 ?
|
| 1278 |
+
1 A A 8 1_555 B DT 3 1_555 A A 9 1_555 B DT 2 1_555 -0.339 -1.827 3.096 -2.559 0.287 28.174 -3.801 0.132 3.095 0.588 5.242
|
| 1279 |
+
28.289 8 AA_A8A9:DT12DT13_BB A 8 ? B 13 ? A 9 ? B 12 ?
|
| 1280 |
+
1 A A 9 1_555 B DT 2 1_555 A G 10 1_555 B DC 1 1_555 0.686 -1.919 3.205 2.493 -1.201 26.024 -3.912 -0.837 3.339 -2.659 -5.516
|
| 1281 |
+
26.168 9 AA_A9G10:DC11DT12_BB A 9 ? B 12 ? A 10 ? B 11 ?
|
| 1282 |
+
#
|
| 1283 |
+
_pdbx_initial_refinement_model.accession_code 1G4Q
|
| 1284 |
+
_pdbx_initial_refinement_model.id 1
|
| 1285 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1286 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1287 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1288 |
+
_pdbx_initial_refinement_model.details 'P2(1)2(1)2(1) structure of the same sequence of RNA/DNA hybrid'
|
| 1289 |
+
#
|
| 1290 |
+
_atom_sites.entry_id 1JB8
|
| 1291 |
+
_atom_sites.fract_transf_matrix[1][1] 0.022107
|
| 1292 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1293 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1294 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1295 |
+
_atom_sites.fract_transf_matrix[2][2] 0.021377
|
| 1296 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1297 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1298 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1299 |
+
_atom_sites.fract_transf_matrix[3][3] 0.017680
|
| 1300 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1301 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1302 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1303 |
+
#
|
| 1304 |
+
loop_
|
| 1305 |
+
_atom_type.symbol
|
| 1306 |
+
C
|
| 1307 |
+
N
|
| 1308 |
+
O
|
| 1309 |
+
P
|
| 1310 |
+
#
|
| 1311 |
+
loop_
|
| 1312 |
+
_atom_site.group_PDB
|
| 1313 |
+
_atom_site.id
|
| 1314 |
+
_atom_site.type_symbol
|
| 1315 |
+
_atom_site.label_atom_id
|
| 1316 |
+
_atom_site.label_alt_id
|
| 1317 |
+
_atom_site.label_comp_id
|
| 1318 |
+
_atom_site.label_asym_id
|
| 1319 |
+
_atom_site.label_entity_id
|
| 1320 |
+
_atom_site.label_seq_id
|
| 1321 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1322 |
+
_atom_site.Cartn_x
|
| 1323 |
+
_atom_site.Cartn_y
|
| 1324 |
+
_atom_site.Cartn_z
|
| 1325 |
+
_atom_site.occupancy
|
| 1326 |
+
_atom_site.B_iso_or_equiv
|
| 1327 |
+
_atom_site.pdbx_formal_charge
|
| 1328 |
+
_atom_site.auth_seq_id
|
| 1329 |
+
_atom_site.auth_comp_id
|
| 1330 |
+
_atom_site.auth_asym_id
|
| 1331 |
+
_atom_site.auth_atom_id
|
| 1332 |
+
_atom_site.pdbx_PDB_model_num
|
| 1333 |
+
ATOM 1 O "O5'" . C A 1 1 ? 0.225 45.105 58.620 1.00 71.68 ? 1 C A "O5'" 1
|
| 1334 |
+
ATOM 2 C "C5'" . C A 1 1 ? -0.568 43.947 58.921 1.00 66.79 ? 1 C A "C5'" 1
|
| 1335 |
+
ATOM 3 C "C4'" . C A 1 1 ? 0.253 42.868 59.582 1.00 66.86 ? 1 C A "C4'" 1
|
| 1336 |
+
ATOM 4 O "O4'" . C A 1 1 ? -0.573 41.703 59.812 1.00 63.19 ? 1 C A "O4'" 1
|
| 1337 |
+
ATOM 5 C "C3'" . C A 1 1 ? 1.403 42.338 58.747 1.00 65.57 ? 1 C A "C3'" 1
|
| 1338 |
+
ATOM 6 O "O3'" . C A 1 1 ? 2.531 43.188 58.885 1.00 66.29 ? 1 C A "O3'" 1
|
| 1339 |
+
ATOM 7 C "C2'" . C A 1 1 ? 1.644 40.959 59.352 1.00 61.66 ? 1 C A "C2'" 1
|
| 1340 |
+
ATOM 8 O "O2'" . C A 1 1 ? 2.444 40.991 60.516 1.00 62.41 ? 1 C A "O2'" 1
|
| 1341 |
+
ATOM 9 C "C1'" . C A 1 1 ? 0.224 40.536 59.729 1.00 54.80 ? 1 C A "C1'" 1
|
| 1342 |
+
ATOM 10 N N1 . C A 1 1 ? -0.417 39.600 58.795 1.00 41.26 ? 1 C A N1 1
|
| 1343 |
+
ATOM 11 C C2 . C A 1 1 ? -0.155 38.248 58.932 1.00 34.28 ? 1 C A C2 1
|
| 1344 |
+
ATOM 12 O O2 . C A 1 1 ? 0.671 37.890 59.775 1.00 39.08 ? 1 C A O2 1
|
| 1345 |
+
ATOM 13 N N3 . C A 1 1 ? -0.800 37.365 58.143 1.00 28.19 ? 1 C A N3 1
|
| 1346 |
+
ATOM 14 C C4 . C A 1 1 ? -1.670 37.801 57.236 1.00 27.82 ? 1 C A C4 1
|
| 1347 |
+
ATOM 15 N N4 . C A 1 1 ? -2.325 36.897 56.512 1.00 27.37 ? 1 C A N4 1
|
| 1348 |
+
ATOM 16 C C5 . C A 1 1 ? -1.919 39.185 57.038 1.00 27.12 ? 1 C A C5 1
|
| 1349 |
+
ATOM 17 C C6 . C A 1 1 ? -1.275 40.042 57.831 1.00 34.24 ? 1 C A C6 1
|
| 1350 |
+
ATOM 18 P P . A A 1 2 ? 3.186 43.841 57.579 1.00 59.91 ? 2 A A P 1
|
| 1351 |
+
ATOM 19 O OP1 . A A 1 2 ? 4.082 44.941 58.008 1.00 64.53 ? 2 A A OP1 1
|
| 1352 |
+
ATOM 20 O OP2 . A A 1 2 ? 2.086 44.118 56.623 1.00 45.10 ? 2 A A OP2 1
|
| 1353 |
+
ATOM 21 O "O5'" . A A 1 2 ? 4.069 42.661 56.977 1.00 64.73 ? 2 A A "O5'" 1
|
| 1354 |
+
ATOM 22 C "C5'" . A A 1 2 ? 4.613 41.657 57.826 1.00 71.35 ? 2 A A "C5'" 1
|
| 1355 |
+
ATOM 23 C "C4'" . A A 1 2 ? 5.652 40.855 57.084 1.00 60.74 ? 2 A A "C4'" 1
|
| 1356 |
+
ATOM 24 O "O4'" . A A 1 2 ? 4.986 39.843 56.276 1.00 59.42 ? 2 A A "O4'" 1
|
| 1357 |
+
ATOM 25 C "C3'" . A A 1 2 ? 6.515 41.657 56.110 1.00 56.25 ? 2 A A "C3'" 1
|
| 1358 |
+
ATOM 26 O "O3'" . A A 1 2 ? 7.840 41.145 56.122 1.00 62.37 ? 2 A A "O3'" 1
|
| 1359 |
+
ATOM 27 C "C2'" . A A 1 2 ? 5.869 41.337 54.769 1.00 52.61 ? 2 A A "C2'" 1
|
| 1360 |
+
ATOM 28 O "O2'" . A A 1 2 ? 6.752 41.511 53.678 1.00 59.75 ? 2 A A "O2'" 1
|
| 1361 |
+
ATOM 29 C "C1'" . A A 1 2 ? 5.536 39.866 54.982 1.00 47.72 ? 2 A A "C1'" 1
|
| 1362 |
+
ATOM 30 N N9 . A A 1 2 ? 4.573 39.290 54.046 1.00 46.15 ? 2 A A N9 1
|
| 1363 |
+
ATOM 31 C C8 . A A 1 2 ? 3.762 39.927 53.145 1.00 40.16 ? 2 A A C8 1
|
| 1364 |
+
ATOM 32 N N7 . A A 1 2 ? 3.051 39.112 52.409 1.00 32.44 ? 2 A A N7 1
|
| 1365 |
+
ATOM 33 C C5 . A A 1 2 ? 3.410 37.852 52.865 1.00 37.63 ? 2 A A C5 1
|
| 1366 |
+
ATOM 34 C C6 . A A 1 2 ? 3.013 36.556 52.485 1.00 39.34 ? 2 A A C6 1
|
| 1367 |
+
ATOM 35 N N6 . A A 1 2 ? 2.120 36.303 51.524 1.00 39.12 ? 2 A A N6 1
|
| 1368 |
+
ATOM 36 N N1 . A A 1 2 ? 3.569 35.514 53.138 1.00 37.94 ? 2 A A N1 1
|
| 1369 |
+
ATOM 37 C C2 . A A 1 2 ? 4.452 35.764 54.108 1.00 40.93 ? 2 A A C2 1
|
| 1370 |
+
ATOM 38 N N3 . A A 1 2 ? 4.899 36.930 54.556 1.00 39.35 ? 2 A A N3 1
|
| 1371 |
+
ATOM 39 C C4 . A A 1 2 ? 4.336 37.947 53.880 1.00 41.23 ? 2 A A C4 1
|
| 1372 |
+
ATOM 40 P P . A A 1 3 ? 9.071 42.107 55.750 1.00 68.84 ? 3 A A P 1
|
| 1373 |
+
ATOM 41 O OP1 . A A 1 3 ? 9.459 42.811 56.995 1.00 70.39 ? 3 A A OP1 1
|
| 1374 |
+
ATOM 42 O OP2 . A A 1 3 ? 8.736 42.889 54.532 1.00 68.68 ? 3 A A OP2 1
|
| 1375 |
+
ATOM 43 O "O5'" . A A 1 3 ? 10.249 41.100 55.399 1.00 67.85 ? 3 A A "O5'" 1
|
| 1376 |
+
ATOM 44 C "C5'" . A A 1 3 ? 10.282 40.407 54.155 1.00 58.53 ? 3 A A "C5'" 1
|
| 1377 |
+
ATOM 45 C "C4'" . A A 1 3 ? 10.198 38.917 54.390 1.00 51.24 ? 3 A A "C4'" 1
|
| 1378 |
+
ATOM 46 O "O4'" . A A 1 3 ? 8.802 38.506 54.479 1.00 50.75 ? 3 A A "O4'" 1
|
| 1379 |
+
ATOM 47 C "C3'" . A A 1 3 ? 10.735 38.069 53.258 1.00 43.45 ? 3 A A "C3'" 1
|
| 1380 |
+
ATOM 48 O "O3'" . A A 1 3 ? 12.146 37.971 53.363 1.00 41.56 ? 3 A A "O3'" 1
|
| 1381 |
+
ATOM 49 C "C2'" . A A 1 3 ? 10.038 36.743 53.511 1.00 41.89 ? 3 A A "C2'" 1
|
| 1382 |
+
ATOM 50 O "O2'" . A A 1 3 ? 10.584 36.073 54.624 1.00 42.82 ? 3 A A "O2'" 1
|
| 1383 |
+
ATOM 51 C "C1'" . A A 1 3 ? 8.642 37.223 53.890 1.00 42.61 ? 3 A A "C1'" 1
|
| 1384 |
+
ATOM 52 N N9 . A A 1 3 ? 7.739 37.353 52.744 1.00 36.74 ? 3 A A N9 1
|
| 1385 |
+
ATOM 53 C C8 . A A 1 3 ? 7.411 38.507 52.089 1.00 32.60 ? 3 A A C8 1
|
| 1386 |
+
ATOM 54 N N7 . A A 1 3 ? 6.546 38.336 51.117 1.00 37.24 ? 3 A A N7 1
|
| 1387 |
+
ATOM 55 C C5 . A A 1 3 ? 6.293 36.974 51.128 1.00 30.33 ? 3 A A C5 1
|
| 1388 |
+
ATOM 56 C C6 . A A 1 3 ? 5.453 36.165 50.342 1.00 30.80 ? 3 A A C6 1
|
| 1389 |
+
ATOM 57 N N6 . A A 1 3 ? 4.673 36.640 49.365 1.00 23.57 ? 3 A A N6 1
|
| 1390 |
+
ATOM 58 N N1 . A A 1 3 ? 5.435 34.837 50.602 1.00 30.03 ? 3 A A N1 1
|
| 1391 |
+
ATOM 59 C C2 . A A 1 3 ? 6.205 34.376 51.595 1.00 26.16 ? 3 A A C2 1
|
| 1392 |
+
ATOM 60 N N3 . A A 1 3 ? 7.028 35.042 52.410 1.00 24.91 ? 3 A A N3 1
|
| 1393 |
+
ATOM 61 C C4 . A A 1 3 ? 7.028 36.351 52.119 1.00 29.15 ? 3 A A C4 1
|
| 1394 |
+
ATOM 62 P P . A A 1 4 ? 13.028 37.909 52.028 1.00 40.68 ? 4 A A P 1
|
| 1395 |
+
ATOM 63 O OP1 . A A 1 4 ? 14.450 37.981 52.425 1.00 47.44 ? 4 A A OP1 1
|
| 1396 |
+
ATOM 64 O OP2 . A A 1 4 ? 12.482 38.898 51.068 1.00 45.29 ? 4 A A OP2 1
|
| 1397 |
+
ATOM 65 O "O5'" . A A 1 4 ? 12.719 36.463 51.445 1.00 41.85 ? 4 A A "O5'" 1
|
| 1398 |
+
ATOM 66 C "C5'" . A A 1 4 ? 12.957 35.300 52.221 1.00 32.05 ? 4 A A "C5'" 1
|
| 1399 |
+
ATOM 67 C "C4'" . A A 1 4 ? 12.326 34.100 51.562 1.00 29.91 ? 4 A A "C4'" 1
|
| 1400 |
+
ATOM 68 O "O4'" . A A 1 4 ? 10.882 34.234 51.597 1.00 30.22 ? 4 A A "O4'" 1
|
| 1401 |
+
ATOM 69 C "C3'" . A A 1 4 ? 12.632 33.923 50.086 1.00 29.32 ? 4 A A "C3'" 1
|
| 1402 |
+
ATOM 70 O "O3'" . A A 1 4 ? 13.890 33.291 49.918 1.00 34.16 ? 4 A A "O3'" 1
|
| 1403 |
+
ATOM 71 C "C2'" . A A 1 4 ? 11.479 33.035 49.641 1.00 31.15 ? 4 A A "C2'" 1
|
| 1404 |
+
ATOM 72 O "O2'" . A A 1 4 ? 11.657 31.678 50.003 1.00 41.15 ? 4 A A "O2'" 1
|
| 1405 |
+
ATOM 73 C "C1'" . A A 1 4 ? 10.323 33.610 50.460 1.00 28.62 ? 4 A A "C1'" 1
|
| 1406 |
+
ATOM 74 N N9 . A A 1 4 ? 9.562 34.613 49.734 1.00 24.79 ? 4 A A N9 1
|
| 1407 |
+
ATOM 75 C C8 . A A 1 4 ? 9.661 35.974 49.842 1.00 31.92 ? 4 A A C8 1
|
| 1408 |
+
ATOM 76 N N7 . A A 1 4 ? 8.835 36.627 49.062 1.00 29.45 ? 4 A A N7 1
|
| 1409 |
+
ATOM 77 C C5 . A A 1 4 ? 8.147 35.627 48.394 1.00 23.32 ? 4 A A C5 1
|
| 1410 |
+
ATOM 78 C C6 . A A 1 4 ? 7.127 35.664 47.439 1.00 24.83 ? 4 A A C6 1
|
| 1411 |
+
ATOM 79 N N6 . A A 1 4 ? 6.618 36.795 46.945 1.00 20.21 ? 4 A A N6 1
|
| 1412 |
+
ATOM 80 N N1 . A A 1 4 ? 6.642 34.485 46.994 1.00 28.41 ? 4 A A N1 1
|
| 1413 |
+
ATOM 81 C C2 . A A 1 4 ? 7.171 33.353 47.475 1.00 26.40 ? 4 A A C2 1
|
| 1414 |
+
ATOM 82 N N3 . A A 1 4 ? 8.139 33.190 48.366 1.00 17.07 ? 4 A A N3 1
|
| 1415 |
+
ATOM 83 C C4 . A A 1 4 ? 8.587 34.380 48.797 1.00 25.52 ? 4 A A C4 1
|
| 1416 |
+
ATOM 84 P P . G A 1 5 ? 14.606 33.302 48.482 1.00 35.76 ? 5 G A P 1
|
| 1417 |
+
ATOM 85 O OP1 . G A 1 5 ? 15.964 32.770 48.735 1.00 45.97 ? 5 G A OP1 1
|
| 1418 |
+
ATOM 86 O OP2 . G A 1 5 ? 14.445 34.625 47.842 1.00 37.06 ? 5 G A OP2 1
|
| 1419 |
+
ATOM 87 O "O5'" . G A 1 5 ? 13.792 32.238 47.609 1.00 34.85 ? 5 G A "O5'" 1
|
| 1420 |
+
ATOM 88 C "C5'" . G A 1 5 ? 14.222 30.882 47.522 1.00 33.96 ? 5 G A "C5'" 1
|
| 1421 |
+
ATOM 89 C "C4'" . G A 1 5 ? 13.581 30.188 46.337 1.00 30.17 ? 5 G A "C4'" 1
|
| 1422 |
+
ATOM 90 O "O4'" . G A 1 5 ? 12.144 30.090 46.532 1.00 24.60 ? 5 G A "O4'" 1
|
| 1423 |
+
ATOM 91 C "C3'" . G A 1 5 ? 13.734 30.869 44.988 1.00 31.26 ? 5 G A "C3'" 1
|
| 1424 |
+
ATOM 92 O "O3'" . G A 1 5 ? 14.961 30.518 44.368 1.00 40.63 ? 5 G A "O3'" 1
|
| 1425 |
+
ATOM 93 C "C2'" . G A 1 5 ? 12.571 30.271 44.221 1.00 30.14 ? 5 G A "C2'" 1
|
| 1426 |
+
ATOM 94 O "O2'" . G A 1 5 ? 12.837 28.947 43.809 1.00 32.74 ? 5 G A "O2'" 1
|
| 1427 |
+
ATOM 95 C "C1'" . G A 1 5 ? 11.483 30.277 45.293 1.00 24.46 ? 5 G A "C1'" 1
|
| 1428 |
+
ATOM 96 N N9 . G A 1 5 ? 10.828 31.577 45.325 1.00 28.10 ? 5 G A N9 1
|
| 1429 |
+
ATOM 97 C C8 . G A 1 5 ? 11.010 32.574 46.251 1.00 30.72 ? 5 G A C8 1
|
| 1430 |
+
ATOM 98 N N7 . G A 1 5 ? 10.323 33.651 45.986 1.00 32.06 ? 5 G A N7 1
|
| 1431 |
+
ATOM 99 C C5 . G A 1 5 ? 9.640 33.342 44.822 1.00 26.09 ? 5 G A C5 1
|
| 1432 |
+
ATOM 100 C C6 . G A 1 5 ? 8.746 34.123 44.052 1.00 25.54 ? 5 G A C6 1
|
| 1433 |
+
ATOM 101 O O6 . G A 1 5 ? 8.369 35.288 44.252 1.00 20.49 ? 5 G A O6 1
|
| 1434 |
+
ATOM 102 N N1 . G A 1 5 ? 8.277 33.417 42.947 1.00 29.12 ? 5 G A N1 1
|
| 1435 |
+
ATOM 103 C C2 . G A 1 5 ? 8.627 32.122 42.629 1.00 28.64 ? 5 G A C2 1
|
| 1436 |
+
ATOM 104 N N2 . G A 1 5 ? 8.064 31.604 41.531 1.00 24.04 ? 5 G A N2 1
|
| 1437 |
+
ATOM 105 N N3 . G A 1 5 ? 9.467 31.389 43.338 1.00 23.05 ? 5 G A N3 1
|
| 1438 |
+
ATOM 106 C C4 . G A 1 5 ? 9.931 32.058 44.410 1.00 24.95 ? 5 G A C4 1
|
| 1439 |
+
ATOM 107 P P . A A 1 6 ? 15.714 31.580 43.426 1.00 46.83 ? 6 A A P 1
|
| 1440 |
+
ATOM 108 O OP1 . A A 1 6 ? 16.964 30.913 42.971 1.00 48.69 ? 6 A A OP1 1
|
| 1441 |
+
ATOM 109 O OP2 . A A 1 6 ? 15.790 32.879 44.138 1.00 46.03 ? 6 A A OP2 1
|
| 1442 |
+
ATOM 110 O "O5'" . A A 1 6 ? 14.746 31.768 42.174 1.00 45.05 ? 6 A A "O5'" 1
|
| 1443 |
+
ATOM 111 C "C5'" . A A 1 6 ? 14.641 30.758 41.183 1.00 42.84 ? 6 A A "C5'" 1
|
| 1444 |
+
ATOM 112 C "C4'" . A A 1 6 ? 13.712 31.200 40.078 1.00 42.61 ? 6 A A "C4'" 1
|
| 1445 |
+
ATOM 113 O "O4'" . A A 1 6 ? 12.362 31.351 40.600 1.00 40.29 ? 6 A A "O4'" 1
|
| 1446 |
+
ATOM 114 C "C3'" . A A 1 6 ? 13.999 32.550 39.448 1.00 41.62 ? 6 A A "C3'" 1
|
| 1447 |
+
ATOM 115 O "O3'" . A A 1 6 ? 15.033 32.469 38.475 1.00 42.93 ? 6 A A "O3'" 1
|
| 1448 |
+
ATOM 116 C "C2'" . A A 1 6 ? 12.652 32.858 38.811 1.00 43.12 ? 6 A A "C2'" 1
|
| 1449 |
+
ATOM 117 O "O2'" . A A 1 6 ? 12.420 32.070 37.664 1.00 42.52 ? 6 A A "O2'" 1
|
| 1450 |
+
ATOM 118 C "C1'" . A A 1 6 ? 11.703 32.410 39.922 1.00 42.60 ? 6 A A "C1'" 1
|
| 1451 |
+
ATOM 119 N N9 . A A 1 6 ? 11.500 33.508 40.866 1.00 41.61 ? 6 A A N9 1
|
| 1452 |
+
ATOM 120 C C8 . A A 1 6 ? 12.158 33.753 42.044 1.00 42.16 ? 6 A A C8 1
|
| 1453 |
+
ATOM 121 N N7 . A A 1 6 ? 11.817 34.884 42.612 1.00 41.37 ? 6 A A N7 1
|
| 1454 |
+
ATOM 122 C C5 . A A 1 6 ? 10.856 35.407 41.760 1.00 37.53 ? 6 A A C5 1
|
| 1455 |
+
ATOM 123 C C6 . A A 1 6 ? 10.120 36.597 41.788 1.00 32.75 ? 6 A A C6 1
|
| 1456 |
+
ATOM 124 N N6 . A A 1 6 ? 10.247 37.518 42.735 1.00 36.16 ? 6 A A N6 1
|
| 1457 |
+
ATOM 125 N N1 . A A 1 6 ? 9.239 36.816 40.793 1.00 33.95 ? 6 A A N1 1
|
| 1458 |
+
ATOM 126 C C2 . A A 1 6 ? 9.113 35.890 39.838 1.00 35.48 ? 6 A A C2 1
|
| 1459 |
+
ATOM 127 N N3 . A A 1 6 ? 9.756 34.734 39.696 1.00 37.60 ? 6 A A N3 1
|
| 1460 |
+
ATOM 128 C C4 . A A 1 6 ? 10.628 34.554 40.699 1.00 38.68 ? 6 A A C4 1
|
| 1461 |
+
ATOM 129 P P . A A 1 7 ? 15.903 33.775 38.134 1.00 40.79 ? 7 A A P 1
|
| 1462 |
+
ATOM 130 O OP1 . A A 1 7 ? 16.910 33.370 37.126 1.00 43.04 ? 7 A A OP1 1
|
| 1463 |
+
ATOM 131 O OP2 . A A 1 7 ? 16.347 34.371 39.414 1.00 37.95 ? 7 A A OP2 1
|
| 1464 |
+
ATOM 132 O "O5'" . A A 1 7 ? 14.867 34.754 37.420 1.00 36.84 ? 7 A A "O5'" 1
|
| 1465 |
+
ATOM 133 C "C5'" . A A 1 7 ? 14.289 34.383 36.179 1.00 34.44 ? 7 A A "C5'" 1
|
| 1466 |
+
ATOM 134 C "C4'" . A A 1 7 ? 13.206 35.357 35.764 1.00 37.87 ? 7 A A "C4'" 1
|
| 1467 |
+
ATOM 135 O "O4'" . A A 1 7 ? 12.166 35.408 36.776 1.00 35.66 ? 7 A A "O4'" 1
|
| 1468 |
+
ATOM 136 C "C3'" . A A 1 7 ? 13.573 36.821 35.586 1.00 36.71 ? 7 A A "C3'" 1
|
| 1469 |
+
ATOM 137 O "O3'" . A A 1 7 ? 14.242 37.077 34.352 1.00 46.56 ? 7 A A "O3'" 1
|
| 1470 |
+
ATOM 138 C "C2'" . A A 1 7 ? 12.194 37.457 35.600 1.00 34.85 ? 7 A A "C2'" 1
|
| 1471 |
+
ATOM 139 O "O2'" . A A 1 7 ? 11.488 37.236 34.394 1.00 32.89 ? 7 A A "O2'" 1
|
| 1472 |
+
ATOM 140 C "C1'" . A A 1 7 ? 11.536 36.679 36.736 1.00 29.70 ? 7 A A "C1'" 1
|
| 1473 |
+
ATOM 141 N N9 . A A 1 7 ? 11.776 37.357 38.006 1.00 27.46 ? 7 A A N9 1
|
| 1474 |
+
ATOM 142 C C8 . A A 1 7 ? 12.688 37.061 38.989 1.00 25.71 ? 7 A A C8 1
|
| 1475 |
+
ATOM 143 N N7 . A A 1 7 ? 12.664 37.898 39.998 1.00 27.23 ? 7 A A N7 1
|
| 1476 |
+
ATOM 144 C C5 . A A 1 7 ? 11.668 38.803 39.658 1.00 25.46 ? 7 A A C5 1
|
| 1477 |
+
ATOM 145 C C6 . A A 1 7 ? 11.150 39.932 40.311 1.00 22.04 ? 7 A A C6 1
|
| 1478 |
+
ATOM 146 N N6 . A A 1 7 ? 11.567 40.355 41.504 1.00 25.29 ? 7 A A N6 1
|
| 1479 |
+
ATOM 147 N N1 . A A 1 7 ? 10.166 40.617 39.695 1.00 22.08 ? 7 A A N1 1
|
| 1480 |
+
ATOM 148 C C2 . A A 1 7 ? 9.722 40.175 38.513 1.00 26.87 ? 7 A A C2 1
|
| 1481 |
+
ATOM 149 N N3 . A A 1 7 ? 10.117 39.122 37.805 1.00 24.70 ? 7 A A N3 1
|
| 1482 |
+
ATOM 150 C C4 . A A 1 7 ? 11.109 38.476 38.438 1.00 25.55 ? 7 A A C4 1
|
| 1483 |
+
ATOM 151 P P . A A 1 8 ? 15.149 38.403 34.194 1.00 48.16 ? 8 A A P 1
|
| 1484 |
+
ATOM 152 O OP1 . A A 1 8 ? 15.822 38.300 32.877 1.00 50.90 ? 8 A A OP1 1
|
| 1485 |
+
ATOM 153 O OP2 . A A 1 8 ? 15.965 38.600 35.430 1.00 44.23 ? 8 A A OP2 1
|
| 1486 |
+
ATOM 154 O "O5'" . A A 1 8 ? 14.091 39.588 34.098 1.00 45.59 ? 8 A A "O5'" 1
|
| 1487 |
+
ATOM 155 C "C5'" . A A 1 8 ? 13.131 39.607 33.058 1.00 40.71 ? 8 A A "C5'" 1
|
| 1488 |
+
ATOM 156 C "C4'" . A A 1 8 ? 12.134 40.708 33.295 1.00 40.75 ? 8 A A "C4'" 1
|
| 1489 |
+
ATOM 157 O "O4'" . A A 1 8 ? 11.526 40.535 34.602 1.00 41.06 ? 8 A A "O4'" 1
|
| 1490 |
+
ATOM 158 C "C3'" . A A 1 8 ? 12.702 42.111 33.369 1.00 36.33 ? 8 A A "C3'" 1
|
| 1491 |
+
ATOM 159 O "O3'" . A A 1 8 ? 12.941 42.636 32.071 1.00 41.10 ? 8 A A "O3'" 1
|
| 1492 |
+
ATOM 160 C "C2'" . A A 1 8 ? 11.592 42.854 34.103 1.00 36.07 ? 8 A A "C2'" 1
|
| 1493 |
+
ATOM 161 O "O2'" . A A 1 8 ? 10.481 43.154 33.285 1.00 29.91 ? 8 A A "O2'" 1
|
| 1494 |
+
ATOM 162 C "C1'" . A A 1 8 ? 11.166 41.804 35.128 1.00 38.38 ? 8 A A "C1'" 1
|
| 1495 |
+
ATOM 163 N N9 . A A 1 8 ? 11.825 41.986 36.421 1.00 39.60 ? 8 A A N9 1
|
| 1496 |
+
ATOM 164 C C8 . A A 1 8 ? 12.869 41.275 36.957 1.00 40.53 ? 8 A A C8 1
|
| 1497 |
+
ATOM 165 N N7 . A A 1 8 ? 13.227 41.681 38.149 1.00 37.16 ? 8 A A N7 1
|
| 1498 |
+
ATOM 166 C C5 . A A 1 8 ? 12.360 42.731 38.418 1.00 35.96 ? 8 A A C5 1
|
| 1499 |
+
ATOM 167 C C6 . A A 1 8 ? 12.220 43.582 39.527 1.00 35.29 ? 8 A A C6 1
|
| 1500 |
+
ATOM 168 N N6 . A A 1 8 ? 12.980 43.504 40.624 1.00 31.83 ? 8 A A N6 1
|
| 1501 |
+
ATOM 169 N N1 . A A 1 8 ? 11.258 44.530 39.472 1.00 35.26 ? 8 A A N1 1
|
| 1502 |
+
ATOM 170 C C2 . A A 1 8 ? 10.496 44.609 38.373 1.00 36.54 ? 8 A A C2 1
|
| 1503 |
+
ATOM 171 N N3 . A A 1 8 ? 10.530 43.867 37.271 1.00 38.06 ? 8 A A N3 1
|
| 1504 |
+
ATOM 172 C C4 . A A 1 8 ? 11.496 42.934 37.359 1.00 38.98 ? 8 A A C4 1
|
| 1505 |
+
ATOM 173 P P . A A 1 9 ? 14.009 43.822 31.882 1.00 40.45 ? 9 A A P 1
|
| 1506 |
+
ATOM 174 O OP1 . A A 1 9 ? 14.200 44.023 30.426 1.00 45.59 ? 9 A A OP1 1
|
| 1507 |
+
ATOM 175 O OP2 . A A 1 9 ? 15.177 43.553 32.740 1.00 39.11 ? 9 A A OP2 1
|
| 1508 |
+
ATOM 176 O "O5'" . A A 1 9 ? 13.258 45.095 32.463 1.00 41.74 ? 9 A A "O5'" 1
|
| 1509 |
+
ATOM 177 C "C5'" . A A 1 9 ? 12.070 45.567 31.857 1.00 37.15 ? 9 A A "C5'" 1
|
| 1510 |
+
ATOM 178 C "C4'" . A A 1 9 ? 11.522 46.733 32.636 1.00 40.38 ? 9 A A "C4'" 1
|
| 1511 |
+
ATOM 179 O "O4'" . A A 1 9 ? 11.107 46.290 33.955 1.00 40.94 ? 9 A A "O4'" 1
|
| 1512 |
+
ATOM 180 C "C3'" . A A 1 9 ? 12.516 47.836 32.937 1.00 38.75 ? 9 A A "C3'" 1
|
| 1513 |
+
ATOM 181 O "O3'" . A A 1 9 ? 12.665 48.698 31.825 1.00 43.78 ? 9 A A "O3'" 1
|
| 1514 |
+
ATOM 182 C "C2'" . A A 1 9 ? 11.851 48.535 34.112 1.00 37.65 ? 9 A A "C2'" 1
|
| 1515 |
+
ATOM 183 O "O2'" . A A 1 9 ? 10.789 49.367 33.702 1.00 37.52 ? 9 A A "O2'" 1
|
| 1516 |
+
ATOM 184 C "C1'" . A A 1 9 ? 11.294 47.341 34.889 1.00 38.54 ? 9 A A "C1'" 1
|
| 1517 |
+
ATOM 185 N N9 . A A 1 9 ? 12.221 46.884 35.921 1.00 33.00 ? 9 A A N9 1
|
| 1518 |
+
ATOM 186 C C8 . A A 1 9 ? 13.141 45.869 35.858 1.00 30.20 ? 9 A A C8 1
|
| 1519 |
+
ATOM 187 N N7 . A A 1 9 ? 13.848 45.729 36.954 1.00 31.20 ? 9 A A N7 1
|
| 1520 |
+
ATOM 188 C C5 . A A 1 9 ? 13.355 46.717 37.796 1.00 31.10 ? 9 A A C5 1
|
| 1521 |
+
ATOM 189 C C6 . A A 1 9 ? 13.689 47.103 39.107 1.00 30.31 ? 9 A A C6 1
|
| 1522 |
+
ATOM 190 N N6 . A A 1 9 ? 14.654 46.530 39.828 1.00 30.82 ? 9 A A N6 1
|
| 1523 |
+
ATOM 191 N N1 . A A 1 9 ? 12.992 48.119 39.658 1.00 30.17 ? 9 A A N1 1
|
| 1524 |
+
ATOM 192 C C2 . A A 1 9 ? 12.038 48.706 38.932 1.00 31.33 ? 9 A A C2 1
|
| 1525 |
+
ATOM 193 N N3 . A A 1 9 ? 11.641 48.443 37.690 1.00 28.19 ? 9 A A N3 1
|
| 1526 |
+
ATOM 194 C C4 . A A 1 9 ? 12.347 47.427 37.174 1.00 30.68 ? 9 A A C4 1
|
| 1527 |
+
ATOM 195 P P . G A 1 10 ? 14.058 49.461 31.598 1.00 42.26 ? 10 G A P 1
|
| 1528 |
+
ATOM 196 O OP1 . G A 1 10 ? 13.998 50.034 30.234 1.00 49.43 ? 10 G A OP1 1
|
| 1529 |
+
ATOM 197 O OP2 . G A 1 10 ? 15.172 48.562 31.962 1.00 40.71 ? 10 G A OP2 1
|
| 1530 |
+
ATOM 198 O "O5'" . G A 1 10 ? 14.010 50.650 32.659 1.00 42.53 ? 10 G A "O5'" 1
|
| 1531 |
+
ATOM 199 C "C5'" . G A 1 10 ? 12.897 51.537 32.703 1.00 26.79 ? 10 G A "C5'" 1
|
| 1532 |
+
ATOM 200 C "C4'" . G A 1 10 ? 12.876 52.299 34.007 1.00 28.64 ? 10 G A "C4'" 1
|
| 1533 |
+
ATOM 201 O "O4'" . G A 1 10 ? 12.641 51.396 35.116 1.00 23.14 ? 10 G A "O4'" 1
|
| 1534 |
+
ATOM 202 C "C3'" . G A 1 10 ? 14.159 53.001 34.416 1.00 26.45 ? 10 G A "C3'" 1
|
| 1535 |
+
ATOM 203 O "O3'" . G A 1 10 ? 14.438 54.173 33.648 1.00 36.05 ? 10 G A "O3'" 1
|
| 1536 |
+
ATOM 204 C "C2'" . G A 1 10 ? 13.908 53.249 35.896 1.00 23.33 ? 10 G A "C2'" 1
|
| 1537 |
+
ATOM 205 O "O2'" . G A 1 10 ? 13.030 54.335 36.126 1.00 19.65 ? 10 G A "O2'" 1
|
| 1538 |
+
ATOM 206 C "C1'" . G A 1 10 ? 13.203 51.949 36.296 1.00 24.16 ? 10 G A "C1'" 1
|
| 1539 |
+
ATOM 207 N N9 . G A 1 10 ? 14.146 50.994 36.860 1.00 20.81 ? 10 G A N9 1
|
| 1540 |
+
ATOM 208 C C8 . G A 1 10 ? 14.783 49.974 36.204 1.00 18.86 ? 10 G A C8 1
|
| 1541 |
+
ATOM 209 N N7 . G A 1 10 ? 15.633 49.336 36.958 1.00 22.09 ? 10 G A N7 1
|
| 1542 |
+
ATOM 210 C C5 . G A 1 10 ? 15.532 49.960 38.194 1.00 24.32 ? 10 G A C5 1
|
| 1543 |
+
ATOM 211 C C6 . G A 1 10 ? 16.219 49.704 39.415 1.00 29.14 ? 10 G A C6 1
|
| 1544 |
+
ATOM 212 O O6 . G A 1 10 ? 17.073 48.838 39.654 1.00 31.07 ? 10 G A O6 1
|
| 1545 |
+
ATOM 213 N N1 . G A 1 10 ? 15.820 50.580 40.416 1.00 26.98 ? 10 G A N1 1
|
| 1546 |
+
ATOM 214 C C2 . G A 1 10 ? 14.870 51.568 40.268 1.00 30.09 ? 10 G A C2 1
|
| 1547 |
+
ATOM 215 N N2 . G A 1 10 ? 14.613 52.321 41.356 1.00 25.36 ? 10 G A N2 1
|
| 1548 |
+
ATOM 216 N N3 . G A 1 10 ? 14.219 51.803 39.141 1.00 28.56 ? 10 G A N3 1
|
| 1549 |
+
ATOM 217 C C4 . G A 1 10 ? 14.604 50.972 38.153 1.00 21.74 ? 10 G A C4 1
|
| 1550 |
+
ATOM 218 O "O5'" . DC B 2 1 ? 19.432 50.556 48.488 1.00 52.67 ? 11 DC B "O5'" 1
|
| 1551 |
+
ATOM 219 C "C5'" . DC B 2 1 ? 18.873 51.746 49.043 1.00 43.85 ? 11 DC B "C5'" 1
|
| 1552 |
+
ATOM 220 C "C4'" . DC B 2 1 ? 17.853 52.396 48.136 1.00 43.18 ? 11 DC B "C4'" 1
|
| 1553 |
+
ATOM 221 O "O4'" . DC B 2 1 ? 18.424 52.626 46.828 1.00 42.82 ? 11 DC B "O4'" 1
|
| 1554 |
+
ATOM 222 C "C3'" . DC B 2 1 ? 16.604 51.573 47.851 1.00 43.80 ? 11 DC B "C3'" 1
|
| 1555 |
+
ATOM 223 O "O3'" . DC B 2 1 ? 15.644 51.709 48.900 1.00 46.35 ? 11 DC B "O3'" 1
|
| 1556 |
+
ATOM 224 C "C2'" . DC B 2 1 ? 16.103 52.205 46.568 1.00 38.81 ? 11 DC B "C2'" 1
|
| 1557 |
+
ATOM 225 C "C1'" . DC B 2 1 ? 17.397 52.549 45.839 1.00 37.42 ? 11 DC B "C1'" 1
|
| 1558 |
+
ATOM 226 N N1 . DC B 2 1 ? 17.787 51.533 44.859 1.00 32.09 ? 11 DC B N1 1
|
| 1559 |
+
ATOM 227 C C2 . DC B 2 1 ? 17.063 51.434 43.679 1.00 31.49 ? 11 DC B C2 1
|
| 1560 |
+
ATOM 228 O O2 . DC B 2 1 ? 16.122 52.225 43.483 1.00 28.89 ? 11 DC B O2 1
|
| 1561 |
+
ATOM 229 N N3 . DC B 2 1 ? 17.396 50.485 42.778 1.00 30.86 ? 11 DC B N3 1
|
| 1562 |
+
ATOM 230 C C4 . DC B 2 1 ? 18.412 49.659 43.027 1.00 36.40 ? 11 DC B C4 1
|
| 1563 |
+
ATOM 231 N N4 . DC B 2 1 ? 18.695 48.720 42.120 1.00 39.36 ? 11 DC B N4 1
|
| 1564 |
+
ATOM 232 C C5 . DC B 2 1 ? 19.180 49.750 44.218 1.00 35.60 ? 11 DC B C5 1
|
| 1565 |
+
ATOM 233 C C6 . DC B 2 1 ? 18.834 50.692 45.099 1.00 35.51 ? 11 DC B C6 1
|
| 1566 |
+
ATOM 234 P P . DT B 2 2 ? 14.331 50.786 48.892 1.00 47.35 ? 12 DT B P 1
|
| 1567 |
+
ATOM 235 O OP1 . DT B 2 2 ? 13.512 51.148 50.075 1.00 52.70 ? 12 DT B OP1 1
|
| 1568 |
+
ATOM 236 O OP2 . DT B 2 2 ? 14.744 49.376 48.684 1.00 45.58 ? 12 DT B OP2 1
|
| 1569 |
+
ATOM 237 O "O5'" . DT B 2 2 ? 13.540 51.257 47.596 1.00 44.89 ? 12 DT B "O5'" 1
|
| 1570 |
+
ATOM 238 C "C5'" . DT B 2 2 ? 12.959 52.552 47.537 1.00 44.36 ? 12 DT B "C5'" 1
|
| 1571 |
+
ATOM 239 C "C4'" . DT B 2 2 ? 12.113 52.685 46.296 1.00 43.08 ? 12 DT B "C4'" 1
|
| 1572 |
+
ATOM 240 O "O4'" . DT B 2 2 ? 12.952 52.596 45.127 1.00 40.68 ? 12 DT B "O4'" 1
|
| 1573 |
+
ATOM 241 C "C3'" . DT B 2 2 ? 11.092 51.575 46.103 1.00 43.64 ? 12 DT B "C3'" 1
|
| 1574 |
+
ATOM 242 O "O3'" . DT B 2 2 ? 9.921 51.811 46.886 1.00 45.05 ? 12 DT B "O3'" 1
|
| 1575 |
+
ATOM 243 C "C2'" . DT B 2 2 ? 10.828 51.659 44.614 1.00 41.77 ? 12 DT B "C2'" 1
|
| 1576 |
+
ATOM 244 C "C1'" . DT B 2 2 ? 12.226 51.975 44.068 1.00 39.68 ? 12 DT B "C1'" 1
|
| 1577 |
+
ATOM 245 N N1 . DT B 2 2 ? 12.976 50.780 43.641 1.00 33.54 ? 12 DT B N1 1
|
| 1578 |
+
ATOM 246 C C2 . DT B 2 2 ? 12.652 50.237 42.424 1.00 31.57 ? 12 DT B C2 1
|
| 1579 |
+
ATOM 247 O O2 . DT B 2 2 ? 11.781 50.691 41.711 1.00 33.97 ? 12 DT B O2 1
|
| 1580 |
+
ATOM 248 N N3 . DT B 2 2 ? 13.387 49.135 42.072 1.00 35.55 ? 12 DT B N3 1
|
| 1581 |
+
ATOM 249 C C4 . DT B 2 2 ? 14.392 48.532 42.806 1.00 34.19 ? 12 DT B C4 1
|
| 1582 |
+
ATOM 250 O O4 . DT B 2 2 ? 14.984 47.558 42.350 1.00 35.06 ? 12 DT B O4 1
|
| 1583 |
+
ATOM 251 C C5 . DT B 2 2 ? 14.668 49.140 44.083 1.00 33.00 ? 12 DT B C5 1
|
| 1584 |
+
ATOM 252 C C7 . DT B 2 2 ? 15.722 48.533 44.953 1.00 35.67 ? 12 DT B C7 1
|
| 1585 |
+
ATOM 253 C C6 . DT B 2 2 ? 13.960 50.227 44.432 1.00 31.90 ? 12 DT B C6 1
|
| 1586 |
+
ATOM 254 P P . DT B 2 3 ? 8.885 50.612 47.147 1.00 43.60 ? 13 DT B P 1
|
| 1587 |
+
ATOM 255 O OP1 . DT B 2 3 ? 8.037 50.972 48.310 1.00 46.68 ? 13 DT B OP1 1
|
| 1588 |
+
ATOM 256 O OP2 . DT B 2 3 ? 9.599 49.316 47.138 1.00 37.79 ? 13 DT B OP2 1
|
| 1589 |
+
ATOM 257 O "O5'" . DT B 2 3 ? 7.969 50.674 45.857 1.00 40.43 ? 13 DT B "O5'" 1
|
| 1590 |
+
ATOM 258 C "C5'" . DT B 2 3 ? 7.446 49.503 45.292 1.00 40.17 ? 13 DT B "C5'" 1
|
| 1591 |
+
ATOM 259 C "C4'" . DT B 2 3 ? 7.291 49.687 43.805 1.00 40.57 ? 13 DT B "C4'" 1
|
| 1592 |
+
ATOM 260 O "O4'" . DT B 2 3 ? 8.579 49.843 43.176 1.00 41.84 ? 13 DT B "O4'" 1
|
| 1593 |
+
ATOM 261 C "C3'" . DT B 2 3 ? 6.672 48.476 43.141 1.00 38.28 ? 13 DT B "C3'" 1
|
| 1594 |
+
ATOM 262 O "O3'" . DT B 2 3 ? 5.261 48.603 43.236 1.00 39.68 ? 13 DT B "O3'" 1
|
| 1595 |
+
ATOM 263 C "C2'" . DT B 2 3 ? 7.205 48.567 41.726 1.00 35.08 ? 13 DT B "C2'" 1
|
| 1596 |
+
ATOM 264 C "C1'" . DT B 2 3 ? 8.617 49.096 41.964 1.00 35.56 ? 13 DT B "C1'" 1
|
| 1597 |
+
ATOM 265 N N1 . DT B 2 3 ? 9.642 48.056 42.129 1.00 31.67 ? 13 DT B N1 1
|
| 1598 |
+
ATOM 266 C C2 . DT B 2 3 ? 9.922 47.242 41.062 1.00 33.26 ? 13 DT B C2 1
|
| 1599 |
+
ATOM 267 O O2 . DT B 2 3 ? 9.347 47.325 39.992 1.00 35.49 ? 13 DT B O2 1
|
| 1600 |
+
ATOM 268 N N3 . DT B 2 3 ? 10.908 46.318 41.295 1.00 36.57 ? 13 DT B N3 1
|
| 1601 |
+
ATOM 269 C C4 . DT B 2 3 ? 11.622 46.133 42.464 1.00 37.27 ? 13 DT B C4 1
|
| 1602 |
+
ATOM 270 O O4 . DT B 2 3 ? 12.483 45.260 42.528 1.00 42.46 ? 13 DT B O4 1
|
| 1603 |
+
ATOM 271 C C5 . DT B 2 3 ? 11.274 47.017 43.542 1.00 34.06 ? 13 DT B C5 1
|
| 1604 |
+
ATOM 272 C C7 . DT B 2 3 ? 12.004 46.891 44.840 1.00 28.83 ? 13 DT B C7 1
|
| 1605 |
+
ATOM 273 C C6 . DT B 2 3 ? 10.309 47.920 43.329 1.00 30.87 ? 13 DT B C6 1
|
| 1606 |
+
ATOM 274 P P . DT B 2 4 ? 4.402 47.369 43.770 1.00 42.22 ? 14 DT B P 1
|
| 1607 |
+
ATOM 275 O OP1 . DT B 2 4 ? 3.030 47.877 44.023 1.00 45.40 ? 14 DT B OP1 1
|
| 1608 |
+
ATOM 276 O OP2 . DT B 2 4 ? 5.155 46.717 44.867 1.00 33.06 ? 14 DT B OP2 1
|
| 1609 |
+
ATOM 277 O "O5'" . DT B 2 4 ? 4.378 46.419 42.495 1.00 34.08 ? 14 DT B "O5'" 1
|
| 1610 |
+
ATOM 278 C "C5'" . DT B 2 4 ? 3.787 46.877 41.281 1.00 39.09 ? 14 DT B "C5'" 1
|
| 1611 |
+
ATOM 279 C "C4'" . DT B 2 4 ? 4.099 45.932 40.146 1.00 38.94 ? 14 DT B "C4'" 1
|
| 1612 |
+
ATOM 280 O "O4'" . DT B 2 4 ? 5.516 45.918 39.896 1.00 41.49 ? 14 DT B "O4'" 1
|
| 1613 |
+
ATOM 281 C "C3'" . DT B 2 4 ? 3.741 44.476 40.395 1.00 42.21 ? 14 DT B "C3'" 1
|
| 1614 |
+
ATOM 282 O "O3'" . DT B 2 4 ? 2.363 44.262 40.085 1.00 40.34 ? 14 DT B "O3'" 1
|
| 1615 |
+
ATOM 283 C "C2'" . DT B 2 4 ? 4.651 43.755 39.417 1.00 41.64 ? 14 DT B "C2'" 1
|
| 1616 |
+
ATOM 284 C "C1'" . DT B 2 4 ? 5.901 44.638 39.404 1.00 36.30 ? 14 DT B "C1'" 1
|
| 1617 |
+
ATOM 285 N N1 . DT B 2 4 ? 7.017 44.139 40.235 1.00 29.25 ? 14 DT B N1 1
|
| 1618 |
+
ATOM 286 C C2 . DT B 2 4 ? 7.894 43.272 39.642 1.00 22.62 ? 14 DT B C2 1
|
| 1619 |
+
ATOM 287 O O2 . DT B 2 4 ? 7.823 42.962 38.470 1.00 26.39 ? 14 DT B O2 1
|
| 1620 |
+
ATOM 288 N N3 . DT B 2 4 ? 8.875 42.796 40.464 1.00 18.20 ? 14 DT B N3 1
|
| 1621 |
+
ATOM 289 C C4 . DT B 2 4 ? 9.086 43.121 41.786 1.00 25.10 ? 14 DT B C4 1
|
| 1622 |
+
ATOM 290 O O4 . DT B 2 4 ? 10.017 42.609 42.400 1.00 27.50 ? 14 DT B O4 1
|
| 1623 |
+
ATOM 291 C C5 . DT B 2 4 ? 8.155 44.070 42.340 1.00 27.86 ? 14 DT B C5 1
|
| 1624 |
+
ATOM 292 C C7 . DT B 2 4 ? 8.330 44.508 43.759 1.00 34.36 ? 14 DT B C7 1
|
| 1625 |
+
ATOM 293 C C6 . DT B 2 4 ? 7.171 44.522 41.550 1.00 26.35 ? 14 DT B C6 1
|
| 1626 |
+
ATOM 294 P P . DT B 2 5 ? 1.647 42.902 40.545 1.00 44.84 ? 15 DT B P 1
|
| 1627 |
+
ATOM 295 O OP1 . DT B 2 5 ? 0.221 43.050 40.164 1.00 44.04 ? 15 DT B OP1 1
|
| 1628 |
+
ATOM 296 O OP2 . DT B 2 5 ? 2.011 42.614 41.959 1.00 41.13 ? 15 DT B OP2 1
|
| 1629 |
+
ATOM 297 O "O5'" . DT B 2 5 ? 2.292 41.793 39.602 1.00 39.25 ? 15 DT B "O5'" 1
|
| 1630 |
+
ATOM 298 C "C5'" . DT B 2 5 ? 2.006 41.786 38.209 1.00 39.13 ? 15 DT B "C5'" 1
|
| 1631 |
+
ATOM 299 C "C4'" . DT B 2 5 ? 2.655 40.596 37.545 1.00 39.88 ? 15 DT B "C4'" 1
|
| 1632 |
+
ATOM 300 O "O4'" . DT B 2 5 ? 4.090 40.741 37.538 1.00 36.46 ? 15 DT B "O4'" 1
|
| 1633 |
+
ATOM 301 C "C3'" . DT B 2 5 ? 2.414 39.260 38.230 1.00 39.48 ? 15 DT B "C3'" 1
|
| 1634 |
+
ATOM 302 O "O3'" . DT B 2 5 ? 1.155 38.712 37.839 1.00 39.66 ? 15 DT B "O3'" 1
|
| 1635 |
+
ATOM 303 C "C2'" . DT B 2 5 ? 3.562 38.429 37.695 1.00 37.98 ? 15 DT B "C2'" 1
|
| 1636 |
+
ATOM 304 C "C1'" . DT B 2 5 ? 4.695 39.452 37.616 1.00 34.64 ? 15 DT B "C1'" 1
|
| 1637 |
+
ATOM 305 N N1 . DT B 2 5 ? 5.579 39.437 38.788 1.00 31.42 ? 15 DT B N1 1
|
| 1638 |
+
ATOM 306 C C2 . DT B 2 5 ? 6.568 38.479 38.848 1.00 34.41 ? 15 DT B C2 1
|
| 1639 |
+
ATOM 307 O O2 . DT B 2 5 ? 6.732 37.634 37.981 1.00 34.23 ? 15 DT B O2 1
|
| 1640 |
+
ATOM 308 N N3 . DT B 2 5 ? 7.362 38.546 39.965 1.00 30.86 ? 15 DT B N3 1
|
| 1641 |
+
ATOM 309 C C4 . DT B 2 5 ? 7.263 39.451 41.000 1.00 30.52 ? 15 DT B C4 1
|
| 1642 |
+
ATOM 310 O O4 . DT B 2 5 ? 8.056 39.399 41.934 1.00 30.26 ? 15 DT B O4 1
|
| 1643 |
+
ATOM 311 C C5 . DT B 2 5 ? 6.188 40.418 40.876 1.00 27.98 ? 15 DT B C5 1
|
| 1644 |
+
ATOM 312 C C7 . DT B 2 5 ? 5.984 41.426 41.961 1.00 26.91 ? 15 DT B C7 1
|
| 1645 |
+
ATOM 313 C C6 . DT B 2 5 ? 5.416 40.362 39.789 1.00 28.51 ? 15 DT B C6 1
|
| 1646 |
+
ATOM 314 P P . DC B 2 6 ? 0.351 37.767 38.856 1.00 42.03 ? 16 DC B P 1
|
| 1647 |
+
ATOM 315 O OP1 . DC B 2 6 ? -1.004 37.585 38.275 1.00 39.02 ? 16 DC B OP1 1
|
| 1648 |
+
ATOM 316 O OP2 . DC B 2 6 ? 0.490 38.313 40.226 1.00 33.91 ? 16 DC B OP2 1
|
| 1649 |
+
ATOM 317 O "O5'" . DC B 2 6 ? 1.151 36.387 38.805 1.00 37.04 ? 16 DC B "O5'" 1
|
| 1650 |
+
ATOM 318 C "C5'" . DC B 2 6 ? 1.169 35.593 37.622 1.00 31.89 ? 16 DC B "C5'" 1
|
| 1651 |
+
ATOM 319 C "C4'" . DC B 2 6 ? 2.084 34.401 37.794 1.00 29.84 ? 16 DC B "C4'" 1
|
| 1652 |
+
ATOM 320 O "O4'" . DC B 2 6 ? 3.470 34.808 37.839 1.00 22.85 ? 16 DC B "O4'" 1
|
| 1653 |
+
ATOM 321 C "C3'" . DC B 2 6 ? 1.886 33.605 39.077 1.00 28.77 ? 16 DC B "C3'" 1
|
| 1654 |
+
ATOM 322 O "O3'" . DC B 2 6 ? 0.794 32.697 38.965 1.00 32.75 ? 16 DC B "O3'" 1
|
| 1655 |
+
ATOM 323 C "C2'" . DC B 2 6 ? 3.202 32.868 39.184 1.00 26.77 ? 16 DC B "C2'" 1
|
| 1656 |
+
ATOM 324 C "C1'" . DC B 2 6 ? 4.191 33.925 38.699 1.00 24.53 ? 16 DC B "C1'" 1
|
| 1657 |
+
ATOM 325 N N1 . DC B 2 6 ? 4.755 34.709 39.812 1.00 20.99 ? 16 DC B N1 1
|
| 1658 |
+
ATOM 326 C C2 . DC B 2 6 ? 5.832 34.167 40.521 1.00 22.97 ? 16 DC B C2 1
|
| 1659 |
+
ATOM 327 O O2 . DC B 2 6 ? 6.262 33.057 40.196 1.00 32.78 ? 16 DC B O2 1
|
| 1660 |
+
ATOM 328 N N3 . DC B 2 6 ? 6.374 34.860 41.540 1.00 22.51 ? 16 DC B N3 1
|
| 1661 |
+
ATOM 329 C C4 . DC B 2 6 ? 5.881 36.053 41.873 1.00 20.52 ? 16 DC B C4 1
|
| 1662 |
+
ATOM 330 N N4 . DC B 2 6 ? 6.463 36.704 42.885 1.00 17.49 ? 16 DC B N4 1
|
| 1663 |
+
ATOM 331 C C5 . DC B 2 6 ? 4.772 36.631 41.179 1.00 22.00 ? 16 DC B C5 1
|
| 1664 |
+
ATOM 332 C C6 . DC B 2 6 ? 4.244 35.927 40.157 1.00 19.33 ? 16 DC B C6 1
|
| 1665 |
+
ATOM 333 P P . DT B 2 7 ? -0.096 32.367 40.261 1.00 39.88 ? 17 DT B P 1
|
| 1666 |
+
ATOM 334 O OP1 . DT B 2 7 ? -1.160 31.430 39.822 1.00 37.91 ? 17 DT B OP1 1
|
| 1667 |
+
ATOM 335 O OP2 . DT B 2 7 ? -0.475 33.644 40.916 1.00 35.17 ? 17 DT B OP2 1
|
| 1668 |
+
ATOM 336 O "O5'" . DT B 2 7 ? 0.913 31.596 41.224 1.00 31.99 ? 17 DT B "O5'" 1
|
| 1669 |
+
ATOM 337 C "C5'" . DT B 2 7 ? 1.565 30.407 40.789 1.00 35.49 ? 17 DT B "C5'" 1
|
| 1670 |
+
ATOM 338 C "C4'" . DT B 2 7 ? 2.638 30.007 41.774 1.00 32.02 ? 17 DT B "C4'" 1
|
| 1671 |
+
ATOM 339 O "O4'" . DT B 2 7 ? 3.689 30.994 41.800 1.00 36.03 ? 17 DT B "O4'" 1
|
| 1672 |
+
ATOM 340 C "C3'" . DT B 2 7 ? 2.188 29.887 43.223 1.00 31.79 ? 17 DT B "C3'" 1
|
| 1673 |
+
ATOM 341 O "O3'" . DT B 2 7 ? 1.632 28.589 43.447 1.00 30.05 ? 17 DT B "O3'" 1
|
| 1674 |
+
ATOM 342 C "C2'" . DT B 2 7 ? 3.496 30.042 43.974 1.00 31.13 ? 17 DT B "C2'" 1
|
| 1675 |
+
ATOM 343 C "C1'" . DT B 2 7 ? 4.273 31.033 43.103 1.00 32.63 ? 17 DT B "C1'" 1
|
| 1676 |
+
ATOM 344 N N1 . DT B 2 7 ? 4.193 32.416 43.591 1.00 33.19 ? 17 DT B N1 1
|
| 1677 |
+
ATOM 345 C C2 . DT B 2 7 ? 5.109 32.817 44.532 1.00 34.99 ? 17 DT B C2 1
|
| 1678 |
+
ATOM 346 O O2 . DT B 2 7 ? 5.971 32.077 44.969 1.00 36.33 ? 17 DT B O2 1
|
| 1679 |
+
ATOM 347 N N3 . DT B 2 7 ? 4.974 34.121 44.946 1.00 32.85 ? 17 DT B N3 1
|
| 1680 |
+
ATOM 348 C C4 . DT B 2 7 ? 4.031 35.031 44.517 1.00 32.19 ? 17 DT B C4 1
|
| 1681 |
+
ATOM 349 O O4 . DT B 2 7 ? 4.030 36.159 44.967 1.00 33.20 ? 17 DT B O4 1
|
| 1682 |
+
ATOM 350 C C5 . DT B 2 7 ? 3.096 34.540 43.532 1.00 36.32 ? 17 DT B C5 1
|
| 1683 |
+
ATOM 351 C C7 . DT B 2 7 ? 2.033 35.458 43.020 1.00 39.44 ? 17 DT B C7 1
|
| 1684 |
+
ATOM 352 C C6 . DT B 2 7 ? 3.223 33.276 43.120 1.00 33.90 ? 17 DT B C6 1
|
| 1685 |
+
ATOM 353 P P . DT B 2 8 ? 0.682 28.339 44.709 1.00 29.69 ? 18 DT B P 1
|
| 1686 |
+
ATOM 354 O OP1 . DT B 2 8 ? 0.090 26.992 44.527 1.00 36.45 ? 18 DT B OP1 1
|
| 1687 |
+
ATOM 355 O OP2 . DT B 2 8 ? -0.203 29.521 44.870 1.00 25.43 ? 18 DT B OP2 1
|
| 1688 |
+
ATOM 356 O "O5'" . DT B 2 8 ? 1.674 28.266 45.951 1.00 25.78 ? 18 DT B "O5'" 1
|
| 1689 |
+
ATOM 357 C "C5'" . DT B 2 8 ? 2.609 27.201 46.065 1.00 29.14 ? 18 DT B "C5'" 1
|
| 1690 |
+
ATOM 358 C "C4'" . DT B 2 8 ? 3.584 27.473 47.186 1.00 29.87 ? 18 DT B "C4'" 1
|
| 1691 |
+
ATOM 359 O "O4'" . DT B 2 8 ? 4.264 28.721 46.937 1.00 29.55 ? 18 DT B "O4'" 1
|
| 1692 |
+
ATOM 360 C "C3'" . DT B 2 8 ? 2.976 27.643 48.571 1.00 32.23 ? 18 DT B "C3'" 1
|
| 1693 |
+
ATOM 361 O "O3'" . DT B 2 8 ? 2.792 26.370 49.192 1.00 32.38 ? 18 DT B "O3'" 1
|
| 1694 |
+
ATOM 362 C "C2'" . DT B 2 8 ? 4.046 28.441 49.288 1.00 30.55 ? 18 DT B "C2'" 1
|
| 1695 |
+
ATOM 363 C "C1'" . DT B 2 8 ? 4.587 29.338 48.181 1.00 30.52 ? 18 DT B "C1'" 1
|
| 1696 |
+
ATOM 364 N N1 . DT B 2 8 ? 4.034 30.708 48.178 1.00 23.35 ? 18 DT B N1 1
|
| 1697 |
+
ATOM 365 C C2 . DT B 2 8 ? 4.610 31.617 49.032 1.00 21.72 ? 18 DT B C2 1
|
| 1698 |
+
ATOM 366 O O2 . DT B 2 8 ? 5.499 31.328 49.814 1.00 19.47 ? 18 DT B O2 1
|
| 1699 |
+
ATOM 367 N N3 . DT B 2 8 ? 4.098 32.886 48.942 1.00 25.35 ? 18 DT B N3 1
|
| 1700 |
+
ATOM 368 C C4 . DT B 2 8 ? 3.087 33.323 48.113 1.00 16.51 ? 18 DT B C4 1
|
| 1701 |
+
ATOM 369 O O4 . DT B 2 8 ? 2.753 34.496 48.132 1.00 24.44 ? 18 DT B O4 1
|
| 1702 |
+
ATOM 370 C C5 . DT B 2 8 ? 2.505 32.318 47.271 1.00 21.13 ? 18 DT B C5 1
|
| 1703 |
+
ATOM 371 C C7 . DT B 2 8 ? 1.390 32.708 46.360 1.00 17.70 ? 18 DT B C7 1
|
| 1704 |
+
ATOM 372 C C6 . DT B 2 8 ? 2.996 31.070 47.341 1.00 23.78 ? 18 DT B C6 1
|
| 1705 |
+
ATOM 373 P P . DT B 2 9 ? 1.991 26.265 50.583 1.00 32.62 ? 19 DT B P 1
|
| 1706 |
+
ATOM 374 O OP1 . DT B 2 9 ? 2.016 24.826 50.948 1.00 32.36 ? 19 DT B OP1 1
|
| 1707 |
+
ATOM 375 O OP2 . DT B 2 9 ? 0.694 26.961 50.446 1.00 26.83 ? 19 DT B OP2 1
|
| 1708 |
+
ATOM 376 O "O5'" . DT B 2 9 ? 2.890 27.061 51.638 1.00 31.43 ? 19 DT B "O5'" 1
|
| 1709 |
+
ATOM 377 C "C5'" . DT B 2 9 ? 4.104 26.493 52.142 1.00 36.00 ? 19 DT B "C5'" 1
|
| 1710 |
+
ATOM 378 C "C4'" . DT B 2 9 ? 4.795 27.447 53.092 1.00 33.29 ? 19 DT B "C4'" 1
|
| 1711 |
+
ATOM 379 O "O4'" . DT B 2 9 ? 5.094 28.701 52.427 1.00 30.26 ? 19 DT B "O4'" 1
|
| 1712 |
+
ATOM 380 C "C3'" . DT B 2 9 ? 4.010 27.835 54.341 1.00 34.49 ? 19 DT B "C3'" 1
|
| 1713 |
+
ATOM 381 O "O3'" . DT B 2 9 ? 4.241 26.864 55.375 1.00 37.41 ? 19 DT B "O3'" 1
|
| 1714 |
+
ATOM 382 C "C2'" . DT B 2 9 ? 4.629 29.176 54.709 1.00 28.17 ? 19 DT B "C2'" 1
|
| 1715 |
+
ATOM 383 C "C1'" . DT B 2 9 ? 4.987 29.785 53.350 1.00 24.68 ? 19 DT B "C1'" 1
|
| 1716 |
+
ATOM 384 N N1 . DT B 2 9 ? 3.997 30.743 52.810 1.00 19.87 ? 19 DT B N1 1
|
| 1717 |
+
ATOM 385 C C2 . DT B 2 9 ? 4.112 32.076 53.147 1.00 22.67 ? 19 DT B C2 1
|
| 1718 |
+
ATOM 386 O O2 . DT B 2 9 ? 4.954 32.504 53.911 1.00 27.73 ? 19 DT B O2 1
|
| 1719 |
+
ATOM 387 N N3 . DT B 2 9 ? 3.187 32.897 52.558 1.00 26.25 ? 19 DT B N3 1
|
| 1720 |
+
ATOM 388 C C4 . DT B 2 9 ? 2.171 32.529 51.706 1.00 25.55 ? 19 DT B C4 1
|
| 1721 |
+
ATOM 389 O O4 . DT B 2 9 ? 1.417 33.382 51.247 1.00 27.48 ? 19 DT B O4 1
|
| 1722 |
+
ATOM 390 C C5 . DT B 2 9 ? 2.087 31.118 51.423 1.00 24.16 ? 19 DT B C5 1
|
| 1723 |
+
ATOM 391 C C7 . DT B 2 9 ? 0.998 30.630 50.523 1.00 31.31 ? 19 DT B C7 1
|
| 1724 |
+
ATOM 392 C C6 . DT B 2 9 ? 2.994 30.305 51.980 1.00 16.51 ? 19 DT B C6 1
|
| 1725 |
+
ATOM 393 P P . DG B 2 10 ? 3.019 26.346 56.291 1.00 41.52 ? 20 DG B P 1
|
| 1726 |
+
ATOM 394 O OP1 . DG B 2 10 ? 3.560 25.237 57.114 1.00 43.51 ? 20 DG B OP1 1
|
| 1727 |
+
ATOM 395 O OP2 . DG B 2 10 ? 1.814 26.116 55.454 1.00 36.23 ? 20 DG B OP2 1
|
| 1728 |
+
ATOM 396 O "O5'" . DG B 2 10 ? 2.730 27.546 57.293 1.00 39.81 ? 20 DG B "O5'" 1
|
| 1729 |
+
ATOM 397 C "C5'" . DG B 2 10 ? 3.467 27.661 58.506 1.00 42.66 ? 20 DG B "C5'" 1
|
| 1730 |
+
ATOM 398 C "C4'" . DG B 2 10 ? 2.605 28.254 59.596 1.00 46.93 ? 20 DG B "C4'" 1
|
| 1731 |
+
ATOM 399 O "O4'" . DG B 2 10 ? 2.287 29.627 59.294 1.00 44.16 ? 20 DG B "O4'" 1
|
| 1732 |
+
ATOM 400 C "C3'" . DG B 2 10 ? 1.246 27.603 59.811 1.00 49.15 ? 20 DG B "C3'" 1
|
| 1733 |
+
ATOM 401 O "O3'" . DG B 2 10 ? 1.298 26.381 60.555 1.00 55.72 ? 20 DG B "O3'" 1
|
| 1734 |
+
ATOM 402 C "C2'" . DG B 2 10 ? 0.500 28.690 60.554 1.00 47.33 ? 20 DG B "C2'" 1
|
| 1735 |
+
ATOM 403 C "C1'" . DG B 2 10 ? 1.084 29.973 59.965 1.00 44.11 ? 20 DG B "C1'" 1
|
| 1736 |
+
ATOM 404 N N9 . DG B 2 10 ? 0.208 30.652 59.021 1.00 41.70 ? 20 DG B N9 1
|
| 1737 |
+
ATOM 405 C C8 . DG B 2 10 ? -0.705 30.083 58.169 1.00 39.82 ? 20 DG B C8 1
|
| 1738 |
+
ATOM 406 N N7 . DG B 2 10 ? -1.393 30.966 57.495 1.00 38.39 ? 20 DG B N7 1
|
| 1739 |
+
ATOM 407 C C5 . DG B 2 10 ? -0.890 32.188 57.920 1.00 39.30 ? 20 DG B C5 1
|
| 1740 |
+
ATOM 408 C C6 . DG B 2 10 ? -1.249 33.505 57.552 1.00 39.03 ? 20 DG B C6 1
|
| 1741 |
+
ATOM 409 O O6 . DG B 2 10 ? -2.126 33.873 56.756 1.00 37.98 ? 20 DG B O6 1
|
| 1742 |
+
ATOM 410 N N1 . DG B 2 10 ? -0.475 34.449 58.217 1.00 36.52 ? 20 DG B N1 1
|
| 1743 |
+
ATOM 411 C C2 . DG B 2 10 ? 0.510 34.163 59.120 1.00 39.45 ? 20 DG B C2 1
|
| 1744 |
+
ATOM 412 N N2 . DG B 2 10 ? 1.148 35.208 59.648 1.00 36.00 ? 20 DG B N2 1
|
| 1745 |
+
ATOM 413 N N3 . DG B 2 10 ? 0.848 32.941 59.479 1.00 41.19 ? 20 DG B N3 1
|
| 1746 |
+
ATOM 414 C C4 . DG B 2 10 ? 0.110 32.009 58.846 1.00 39.31 ? 20 DG B C4 1
|
| 1747 |
+
HETATM 415 O O . HOH C 3 . ? 8.583 33.841 54.241 1.00 34.63 ? 120 HOH A O 1
|
| 1748 |
+
HETATM 416 O O . HOH C 3 . ? 9.125 38.323 35.265 1.00 38.55 ? 122 HOH A O 1
|
| 1749 |
+
HETATM 417 O O . HOH C 3 . ? 18.202 34.780 43.182 1.00 49.19 ? 124 HOH A O 1
|
| 1750 |
+
HETATM 418 O O . HOH C 3 . ? 9.335 50.362 36.066 1.00 45.20 ? 126 HOH A O 1
|
| 1751 |
+
HETATM 419 O O . HOH C 3 . ? 7.054 50.467 33.772 1.00 60.17 ? 128 HOH A O 1
|
| 1752 |
+
HETATM 420 O O . HOH C 3 . ? 13.601 40.092 43.479 1.00 46.90 ? 129 HOH A O 1
|
| 1753 |
+
HETATM 421 O O . HOH C 3 . ? 8.517 39.275 47.727 1.00 49.47 ? 130 HOH A O 1
|
| 1754 |
+
HETATM 422 O O . HOH C 3 . ? 16.663 46.129 33.819 1.00 44.33 ? 131 HOH A O 1
|
| 1755 |
+
HETATM 423 O O . HOH C 3 . ? 12.936 36.718 44.608 1.00 30.00 ? 132 HOH A O 1
|
| 1756 |
+
HETATM 424 O O . HOH C 3 . ? 3.713 40.825 64.073 1.00 33.39 ? 134 HOH A O 1
|
| 1757 |
+
HETATM 425 O O . HOH C 3 . ? 3.459 39.080 48.756 1.00 28.48 ? 135 HOH A O 1
|
| 1758 |
+
HETATM 426 O O . HOH C 3 . ? 19.288 35.573 36.724 1.00 59.94 ? 137 HOH A O 1
|
| 1759 |
+
HETATM 427 O O . HOH C 3 . ? 5.732 40.994 47.949 1.00 58.59 ? 138 HOH A O 1
|
| 1760 |
+
HETATM 428 O O . HOH C 3 . ? 17.837 33.535 50.854 1.00 65.61 ? 139 HOH A O 1
|
| 1761 |
+
HETATM 429 O O . HOH C 3 . ? 6.698 36.171 57.225 1.00 36.41 ? 140 HOH A O 1
|
| 1762 |
+
HETATM 430 O O . HOH C 3 . ? 16.490 47.048 30.180 1.00 22.04 ? 142 HOH A O 1
|
| 1763 |
+
HETATM 431 O O . HOH C 3 . ? 19.174 36.251 51.855 1.00 49.76 ? 143 HOH A O 1
|
| 1764 |
+
HETATM 432 O O . HOH C 3 . ? 1.855 38.714 62.601 1.00 53.21 ? 145 HOH A O 1
|
| 1765 |
+
HETATM 433 O O . HOH C 3 . ? 16.996 44.706 36.434 1.00 41.49 ? 146 HOH A O 1
|
| 1766 |
+
HETATM 434 O O . HOH C 3 . ? 12.772 40.982 57.658 1.00 66.53 ? 147 HOH A O 1
|
| 1767 |
+
HETATM 435 O O . HOH C 3 . ? 15.504 41.432 40.320 1.00 50.36 ? 148 HOH A O 1
|
| 1768 |
+
HETATM 436 O O . HOH C 3 . ? 9.012 34.085 57.604 1.00 50.87 ? 149 HOH A O 1
|
| 1769 |
+
HETATM 437 O O . HOH C 3 . ? 13.046 40.500 29.086 1.00 63.70 ? 150 HOH A O 1
|
| 1770 |
+
HETATM 438 O O . HOH C 3 . ? 16.671 40.751 44.027 1.00 55.78 ? 152 HOH A O 1
|
| 1771 |
+
HETATM 439 O O . HOH C 3 . ? 6.799 49.896 37.765 1.00 55.19 ? 157 HOH A O 1
|
| 1772 |
+
HETATM 440 O O . HOH C 3 . ? 17.039 32.559 34.649 1.00 39.97 ? 158 HOH A O 1
|
| 1773 |
+
HETATM 441 O O . HOH C 3 . ? 13.640 46.780 28.280 0.50 41.36 ? 160 HOH A O 1
|
| 1774 |
+
HETATM 442 O O . HOH C 3 . ? 11.774 35.744 47.296 1.00 44.56 ? 162 HOH A O 1
|
| 1775 |
+
HETATM 443 O O . HOH C 3 . ? 14.901 41.478 55.224 1.00 57.67 ? 165 HOH A O 1
|
| 1776 |
+
HETATM 444 O O . HOH C 3 . ? 18.876 47.019 36.146 1.00 38.79 ? 166 HOH A O 1
|
| 1777 |
+
HETATM 445 O O . HOH C 3 . ? 12.426 53.992 30.826 1.00 54.99 ? 171 HOH A O 1
|
| 1778 |
+
HETATM 446 O O . HOH C 3 . ? 21.061 37.884 49.923 1.00 54.85 ? 173 HOH A O 1
|
| 1779 |
+
HETATM 447 O O . HOH C 3 . ? 16.048 36.193 44.953 1.00 60.31 ? 175 HOH A O 1
|
| 1780 |
+
HETATM 448 O O . HOH C 3 . ? 14.851 36.288 54.449 1.00 52.42 ? 176 HOH A O 1
|
| 1781 |
+
HETATM 449 O O . HOH C 3 . ? 16.394 33.573 53.638 1.00 41.71 ? 180 HOH A O 1
|
| 1782 |
+
HETATM 450 O O . HOH C 3 . ? 5.873 50.186 30.869 1.00 44.21 ? 181 HOH A O 1
|
| 1783 |
+
HETATM 451 O O . HOH C 3 . ? 12.247 43.666 53.637 1.00 43.73 ? 182 HOH A O 1
|
| 1784 |
+
HETATM 452 O O . HOH D 3 . ? 4.453 38.583 43.966 1.00 28.74 ? 121 HOH B O 1
|
| 1785 |
+
HETATM 453 O O . HOH D 3 . ? 0.257 35.887 47.978 1.00 40.78 ? 123 HOH B O 1
|
| 1786 |
+
HETATM 454 O O . HOH D 3 . ? -1.051 35.370 44.580 1.00 48.89 ? 125 HOH B O 1
|
| 1787 |
+
HETATM 455 O O . HOH D 3 . ? 20.898 51.176 51.801 1.00 40.45 ? 127 HOH B O 1
|
| 1788 |
+
HETATM 456 O O . HOH D 3 . ? -0.093 40.563 35.014 1.00 60.27 ? 133 HOH B O 1
|
| 1789 |
+
HETATM 457 O O . HOH D 3 . ? -0.928 33.088 49.352 1.00 49.02 ? 136 HOH B O 1
|
| 1790 |
+
HETATM 458 O O . HOH D 3 . ? -1.868 32.391 44.564 1.00 32.24 ? 141 HOH B O 1
|
| 1791 |
+
HETATM 459 O O . HOH D 3 . ? 4.259 32.522 58.228 1.00 41.27 ? 144 HOH B O 1
|
| 1792 |
+
HETATM 460 O O . HOH D 3 . ? 6.077 42.580 35.991 1.00 65.71 ? 151 HOH B O 1
|
| 1793 |
+
HETATM 461 O O . HOH D 3 . ? -1.167 27.600 48.769 1.00 46.75 ? 153 HOH B O 1
|
| 1794 |
+
HETATM 462 O O . HOH D 3 . ? -2.286 30.207 42.086 1.00 51.06 ? 154 HOH B O 1
|
| 1795 |
+
HETATM 463 O O . HOH D 3 . ? -3.699 37.152 38.875 1.00 42.72 ? 155 HOH B O 1
|
| 1796 |
+
HETATM 464 O O . HOH D 3 . ? 3.340 50.119 41.712 1.00 48.09 ? 156 HOH B O 1
|
| 1797 |
+
HETATM 465 O O . HOH D 3 . ? 4.503 43.458 45.064 1.00 64.38 ? 159 HOH B O 1
|
| 1798 |
+
HETATM 466 O O . HOH D 3 . ? -3.939 34.196 37.882 1.00 36.73 ? 161 HOH B O 1
|
| 1799 |
+
HETATM 467 O O . HOH D 3 . ? 11.053 42.536 45.098 1.00 36.38 ? 163 HOH B O 1
|
| 1800 |
+
HETATM 468 O O . HOH D 3 . ? 6.525 31.970 56.225 1.00 42.15 ? 164 HOH B O 1
|
| 1801 |
+
HETATM 469 O O . HOH D 3 . ? 2.303 39.236 42.042 1.00 45.51 ? 167 HOH B O 1
|
| 1802 |
+
HETATM 470 O O . HOH D 3 . ? 21.003 47.210 42.242 1.00 62.04 ? 168 HOH B O 1
|
| 1803 |
+
HETATM 471 O O . HOH D 3 . ? 16.978 48.161 49.269 1.00 45.45 ? 170 HOH B O 1
|
| 1804 |
+
HETATM 472 O O . HOH D 3 . ? 13.741 43.915 45.128 1.00 46.63 ? 172 HOH B O 1
|
| 1805 |
+
HETATM 473 O O . HOH D 3 . ? 16.766 45.651 43.521 1.00 36.21 ? 174 HOH B O 1
|
| 1806 |
+
HETATM 474 O O . HOH D 3 . ? 23.882 52.118 50.948 1.00 63.21 ? 178 HOH B O 1
|
| 1807 |
+
HETATM 475 O O . HOH D 3 . ? 8.937 51.826 50.877 1.00 40.97 ? 179 HOH B O 1
|
| 1808 |
+
HETATM 476 O O . HOH D 3 . ? 11.286 50.047 51.262 1.00 46.78 ? 183 HOH B O 1
|
| 1809 |
+
HETATM 477 O O . HOH D 3 . ? 2.699 41.581 46.717 1.00 43.51 ? 184 HOH B O 1
|
| 1810 |
+
HETATM 478 O O . HOH D 3 . ? 14.495 54.265 52.271 1.00 54.97 ? 185 HOH B O 1
|
| 1811 |
+
HETATM 479 O O . HOH D 3 . ? 4.194 35.817 34.150 1.00 57.46 ? 186 HOH B O 1
|
| 1812 |
+
HETATM 480 O O . HOH D 3 . ? -0.317 45.692 40.696 1.00 48.01 ? 188 HOH B O 1
|
| 1813 |
+
#
|
structures/1mhk.cif
ADDED
|
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|
|
| 1 |
+
data_1MHK
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1MHK
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.386
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1MHK pdb_00001mhk 10.2210/pdb1mhk/pdb
|
| 15 |
+
NDB UR0025 ? ?
|
| 16 |
+
RCSB RCSB016915 ? ?
|
| 17 |
+
WWPDB D_1000016915 ? ?
|
| 18 |
+
#
|
| 19 |
+
loop_
|
| 20 |
+
_pdbx_audit_revision_history.ordinal
|
| 21 |
+
_pdbx_audit_revision_history.data_content_type
|
| 22 |
+
_pdbx_audit_revision_history.major_revision
|
| 23 |
+
_pdbx_audit_revision_history.minor_revision
|
| 24 |
+
_pdbx_audit_revision_history.revision_date
|
| 25 |
+
1 'Structure model' 1 0 2002-09-06
|
| 26 |
+
2 'Structure model' 1 1 2007-10-16
|
| 27 |
+
3 'Structure model' 1 2 2011-07-13
|
| 28 |
+
4 'Structure model' 1 3 2024-02-14
|
| 29 |
+
#
|
| 30 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 33 |
+
_pdbx_audit_revision_details.provider repository
|
| 34 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 35 |
+
_pdbx_audit_revision_details.description ?
|
| 36 |
+
_pdbx_audit_revision_details.details ?
|
| 37 |
+
#
|
| 38 |
+
loop_
|
| 39 |
+
_pdbx_audit_revision_group.ordinal
|
| 40 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 41 |
+
_pdbx_audit_revision_group.data_content_type
|
| 42 |
+
_pdbx_audit_revision_group.group
|
| 43 |
+
1 2 'Structure model' 'Version format compliance'
|
| 44 |
+
2 3 'Structure model' 'Version format compliance'
|
| 45 |
+
3 4 'Structure model' 'Data collection'
|
| 46 |
+
4 4 'Structure model' 'Database references'
|
| 47 |
+
5 4 'Structure model' 'Derived calculations'
|
| 48 |
+
6 4 'Structure model' 'Refinement description'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' chem_comp_atom
|
| 56 |
+
2 4 'Structure model' chem_comp_bond
|
| 57 |
+
3 4 'Structure model' database_2
|
| 58 |
+
4 4 'Structure model' pdbx_initial_refinement_model
|
| 59 |
+
5 4 'Structure model' struct_conn
|
| 60 |
+
6 4 'Structure model' struct_site
|
| 61 |
+
#
|
| 62 |
+
loop_
|
| 63 |
+
_pdbx_audit_revision_item.ordinal
|
| 64 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 65 |
+
_pdbx_audit_revision_item.data_content_type
|
| 66 |
+
_pdbx_audit_revision_item.item
|
| 67 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 68 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 69 |
+
3 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
|
| 70 |
+
4 4 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 71 |
+
5 4 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 72 |
+
6 4 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 73 |
+
#
|
| 74 |
+
_pdbx_database_status.status_code REL
|
| 75 |
+
_pdbx_database_status.entry_id 1MHK
|
| 76 |
+
_pdbx_database_status.recvd_initial_deposition_date 2002-08-20
|
| 77 |
+
_pdbx_database_status.deposit_site NDB
|
| 78 |
+
_pdbx_database_status.process_site RCSB
|
| 79 |
+
_pdbx_database_status.SG_entry .
|
| 80 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 81 |
+
_pdbx_database_status.status_code_mr ?
|
| 82 |
+
_pdbx_database_status.status_code_sf ?
|
| 83 |
+
_pdbx_database_status.status_code_cs ?
|
| 84 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 85 |
+
_pdbx_database_status.methods_development_category ?
|
| 86 |
+
#
|
| 87 |
+
loop_
|
| 88 |
+
_audit_author.name
|
| 89 |
+
_audit_author.pdbx_ordinal
|
| 90 |
+
'Szep, S.' 1
|
| 91 |
+
'Wang, J.' 2
|
| 92 |
+
'Moore, P.B.' 3
|
| 93 |
+
#
|
| 94 |
+
_citation.id primary
|
| 95 |
+
_citation.title 'The crystal structure of a 26-nucleotide RNA containing a hook-turn'
|
| 96 |
+
_citation.journal_abbrev RNA
|
| 97 |
+
_citation.journal_volume 9
|
| 98 |
+
_citation.page_first 44
|
| 99 |
+
_citation.page_last 51
|
| 100 |
+
_citation.year 2003
|
| 101 |
+
_citation.journal_id_ASTM RNARFU
|
| 102 |
+
_citation.country UK
|
| 103 |
+
_citation.journal_id_ISSN 1355-8382
|
| 104 |
+
_citation.journal_id_CSD 2122
|
| 105 |
+
_citation.book_publisher ?
|
| 106 |
+
_citation.pdbx_database_id_PubMed 12554875
|
| 107 |
+
_citation.pdbx_database_id_DOI 10.1261/rna.2107303
|
| 108 |
+
#
|
| 109 |
+
loop_
|
| 110 |
+
_citation_author.citation_id
|
| 111 |
+
_citation_author.name
|
| 112 |
+
_citation_author.ordinal
|
| 113 |
+
_citation_author.identifier_ORCID
|
| 114 |
+
primary 'Szep, S.' 1 ?
|
| 115 |
+
primary 'Wang, J.' 2 ?
|
| 116 |
+
primary 'Moore, P.B.' 3 ?
|
| 117 |
+
#
|
| 118 |
+
loop_
|
| 119 |
+
_entity.id
|
| 120 |
+
_entity.type
|
| 121 |
+
_entity.src_method
|
| 122 |
+
_entity.pdbx_description
|
| 123 |
+
_entity.formula_weight
|
| 124 |
+
_entity.pdbx_number_of_molecules
|
| 125 |
+
_entity.pdbx_ec
|
| 126 |
+
_entity.pdbx_mutation
|
| 127 |
+
_entity.pdbx_fragment
|
| 128 |
+
_entity.details
|
| 129 |
+
1 polymer syn 'RNA 12-mer BCh12' 3810.352 1 ? ? 'fragment of 5S rRNA Loop E' 'Short strand'
|
| 130 |
+
2 polymer syn 'RNA 14-mer BCh12' 4479.691 1 ? ? 'fragment of 5S rRNA Loop E' 'Long strand'
|
| 131 |
+
3 non-polymer syn 'BROMIDE ION' 79.904 1 ? ? ? ?
|
| 132 |
+
4 water nat water 18.015 21 ? ? ? ?
|
| 133 |
+
#
|
| 134 |
+
loop_
|
| 135 |
+
_entity_poly.entity_id
|
| 136 |
+
_entity_poly.type
|
| 137 |
+
_entity_poly.nstd_linkage
|
| 138 |
+
_entity_poly.nstd_monomer
|
| 139 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 140 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 141 |
+
_entity_poly.pdbx_strand_id
|
| 142 |
+
_entity_poly.pdbx_target_identifier
|
| 143 |
+
1 polyribonucleotide no no CCAUGCGAACCG CCAUGCGAACCG S ?
|
| 144 |
+
2 polyribonucleotide no no CGAUCCUAGUGUGG CGAUCCUAGUGUGG L ?
|
| 145 |
+
#
|
| 146 |
+
loop_
|
| 147 |
+
_pdbx_entity_nonpoly.entity_id
|
| 148 |
+
_pdbx_entity_nonpoly.name
|
| 149 |
+
_pdbx_entity_nonpoly.comp_id
|
| 150 |
+
3 'BROMIDE ION' BR
|
| 151 |
+
4 water HOH
|
| 152 |
+
#
|
| 153 |
+
loop_
|
| 154 |
+
_entity_poly_seq.entity_id
|
| 155 |
+
_entity_poly_seq.num
|
| 156 |
+
_entity_poly_seq.mon_id
|
| 157 |
+
_entity_poly_seq.hetero
|
| 158 |
+
1 1 C n
|
| 159 |
+
1 2 C n
|
| 160 |
+
1 3 A n
|
| 161 |
+
1 4 U n
|
| 162 |
+
1 5 G n
|
| 163 |
+
1 6 C n
|
| 164 |
+
1 7 G n
|
| 165 |
+
1 8 A n
|
| 166 |
+
1 9 A n
|
| 167 |
+
1 10 C n
|
| 168 |
+
1 11 C n
|
| 169 |
+
1 12 G n
|
| 170 |
+
2 1 C n
|
| 171 |
+
2 2 G n
|
| 172 |
+
2 3 A n
|
| 173 |
+
2 4 U n
|
| 174 |
+
2 5 C n
|
| 175 |
+
2 6 C n
|
| 176 |
+
2 7 U n
|
| 177 |
+
2 8 A n
|
| 178 |
+
2 9 G n
|
| 179 |
+
2 10 U n
|
| 180 |
+
2 11 G n
|
| 181 |
+
2 12 U n
|
| 182 |
+
2 13 G n
|
| 183 |
+
2 14 G n
|
| 184 |
+
#
|
| 185 |
+
loop_
|
| 186 |
+
_pdbx_entity_src_syn.entity_id
|
| 187 |
+
_pdbx_entity_src_syn.pdbx_src_id
|
| 188 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag
|
| 189 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num
|
| 190 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num
|
| 191 |
+
_pdbx_entity_src_syn.organism_scientific
|
| 192 |
+
_pdbx_entity_src_syn.organism_common_name
|
| 193 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id
|
| 194 |
+
_pdbx_entity_src_syn.details
|
| 195 |
+
1 1 sample ? ? ? ? ? '5S rRNA Loop E region, sequence from Chromatium minutissimum'
|
| 196 |
+
2 1 sample ? ? ? ? ? '5S rRNA Loop E region, sequence from Chromatium minutissimum'
|
| 197 |
+
#
|
| 198 |
+
loop_
|
| 199 |
+
_chem_comp.id
|
| 200 |
+
_chem_comp.type
|
| 201 |
+
_chem_comp.mon_nstd_flag
|
| 202 |
+
_chem_comp.name
|
| 203 |
+
_chem_comp.pdbx_synonyms
|
| 204 |
+
_chem_comp.formula
|
| 205 |
+
_chem_comp.formula_weight
|
| 206 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 207 |
+
BR non-polymer . 'BROMIDE ION' ? 'Br -1' 79.904
|
| 208 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 209 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 210 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 211 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 212 |
+
#
|
| 213 |
+
loop_
|
| 214 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 215 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 216 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 217 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 218 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 219 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 220 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 221 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 222 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 223 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 224 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 225 |
+
_pdbx_poly_seq_scheme.hetero
|
| 226 |
+
A 1 1 C 1 1 1 C C S . n
|
| 227 |
+
A 1 2 C 2 2 2 C C S . n
|
| 228 |
+
A 1 3 A 3 3 3 A A S . n
|
| 229 |
+
A 1 4 U 4 4 4 U U S . n
|
| 230 |
+
A 1 5 G 5 5 5 G G S . n
|
| 231 |
+
A 1 6 C 6 6 6 C C S . n
|
| 232 |
+
A 1 7 G 7 7 7 G G S . n
|
| 233 |
+
A 1 8 A 8 8 8 A A S . n
|
| 234 |
+
A 1 9 A 9 9 9 A A S . n
|
| 235 |
+
A 1 10 C 10 10 10 C C S . n
|
| 236 |
+
A 1 11 C 11 11 11 C C S . n
|
| 237 |
+
A 1 12 G 12 12 12 G G S . n
|
| 238 |
+
B 2 1 C 1 1 1 C C L . n
|
| 239 |
+
B 2 2 G 2 2 2 G G L . n
|
| 240 |
+
B 2 3 A 3 3 3 A A L . n
|
| 241 |
+
B 2 4 U 4 4 4 U U L . n
|
| 242 |
+
B 2 5 C 5 5 5 C C L . n
|
| 243 |
+
B 2 6 C 6 6 6 C C L . n
|
| 244 |
+
B 2 7 U 7 7 7 U U L . n
|
| 245 |
+
B 2 8 A 8 8 8 A A L . n
|
| 246 |
+
B 2 9 G 9 9 9 G G L . n
|
| 247 |
+
B 2 10 U 10 10 10 U U L . n
|
| 248 |
+
B 2 11 G 11 11 11 G G L . n
|
| 249 |
+
B 2 12 U 12 12 12 U U L . n
|
| 250 |
+
B 2 13 G 13 13 13 G G L . n
|
| 251 |
+
B 2 14 G 14 14 14 G G L . n
|
| 252 |
+
#
|
| 253 |
+
loop_
|
| 254 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 255 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 256 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 257 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 258 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 259 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 260 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 261 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 262 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 263 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 264 |
+
C 3 BR 1 13 4 BR BRO S .
|
| 265 |
+
D 4 HOH 1 14 1 HOH HOH S .
|
| 266 |
+
D 4 HOH 2 15 2 HOH HOH S .
|
| 267 |
+
D 4 HOH 3 16 3 HOH HOH S .
|
| 268 |
+
D 4 HOH 4 17 4 HOH HOH S .
|
| 269 |
+
D 4 HOH 5 18 5 HOH HOH S .
|
| 270 |
+
D 4 HOH 6 19 9 HOH HOH S .
|
| 271 |
+
D 4 HOH 7 20 22 HOH HOH S .
|
| 272 |
+
D 4 HOH 8 21 24 HOH HOH S .
|
| 273 |
+
D 4 HOH 9 22 28 HOH HOH S .
|
| 274 |
+
D 4 HOH 10 23 34 HOH HOH S .
|
| 275 |
+
D 4 HOH 11 24 35 HOH HOH S .
|
| 276 |
+
E 4 HOH 1 15 6 HOH HOH L .
|
| 277 |
+
E 4 HOH 2 16 11 HOH HOH L .
|
| 278 |
+
E 4 HOH 3 17 12 HOH HOH L .
|
| 279 |
+
E 4 HOH 4 18 14 HOH HOH L .
|
| 280 |
+
E 4 HOH 5 19 15 HOH HOH L .
|
| 281 |
+
E 4 HOH 6 20 25 HOH HOH L .
|
| 282 |
+
E 4 HOH 7 21 27 HOH HOH L .
|
| 283 |
+
E 4 HOH 8 22 29 HOH HOH L .
|
| 284 |
+
E 4 HOH 9 23 30 HOH HOH L .
|
| 285 |
+
E 4 HOH 10 24 32 HOH HOH L .
|
| 286 |
+
#
|
| 287 |
+
loop_
|
| 288 |
+
_software.name
|
| 289 |
+
_software.classification
|
| 290 |
+
_software.version
|
| 291 |
+
_software.citation_id
|
| 292 |
+
_software.pdbx_ordinal
|
| 293 |
+
DENZO 'data reduction' . ? 1
|
| 294 |
+
SCALEPACK 'data scaling' . ? 2
|
| 295 |
+
CNS refinement . ? 3
|
| 296 |
+
CNS phasing . ? 4
|
| 297 |
+
#
|
| 298 |
+
_cell.entry_id 1MHK
|
| 299 |
+
_cell.length_a 30.169
|
| 300 |
+
_cell.length_b 62.510
|
| 301 |
+
_cell.length_c 50.933
|
| 302 |
+
_cell.angle_alpha 90.00
|
| 303 |
+
_cell.angle_beta 98.76
|
| 304 |
+
_cell.angle_gamma 90.00
|
| 305 |
+
_cell.Z_PDB 4
|
| 306 |
+
_cell.pdbx_unique_axis ?
|
| 307 |
+
#
|
| 308 |
+
_symmetry.entry_id 1MHK
|
| 309 |
+
_symmetry.space_group_name_H-M 'C 1 2 1'
|
| 310 |
+
_symmetry.cell_setting monoclinic
|
| 311 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 312 |
+
_symmetry.Int_Tables_number 5
|
| 313 |
+
#
|
| 314 |
+
_exptl.entry_id 1MHK
|
| 315 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 316 |
+
_exptl.crystals_number 1
|
| 317 |
+
#
|
| 318 |
+
_exptl_crystal.id 1
|
| 319 |
+
_exptl_crystal.density_meas ?
|
| 320 |
+
_exptl_crystal.density_percent_sol 57.04
|
| 321 |
+
_exptl_crystal.density_Matthews 2.86
|
| 322 |
+
_exptl_crystal.description ?
|
| 323 |
+
#
|
| 324 |
+
_exptl_crystal_grow.crystal_id 1
|
| 325 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
|
| 326 |
+
_exptl_crystal_grow.temp 292
|
| 327 |
+
_exptl_crystal_grow.temp_details ?
|
| 328 |
+
_exptl_crystal_grow.pH 7.5
|
| 329 |
+
_exptl_crystal_grow.pdbx_details
|
| 330 |
+
;ammonium sulfate, magnesium chloride, spermidine, tris-hydrogen chloride,
|
| 331 |
+
pH 7.5, VAPOR DIFFUSION, SITTING DROP at 292K
|
| 332 |
+
;
|
| 333 |
+
_exptl_crystal_grow.pdbx_pH_range .
|
| 334 |
+
#
|
| 335 |
+
loop_
|
| 336 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 337 |
+
_exptl_crystal_grow_comp.id
|
| 338 |
+
_exptl_crystal_grow_comp.sol_id
|
| 339 |
+
_exptl_crystal_grow_comp.name
|
| 340 |
+
_exptl_crystal_grow_comp.conc
|
| 341 |
+
_exptl_crystal_grow_comp.volume
|
| 342 |
+
_exptl_crystal_grow_comp.details
|
| 343 |
+
1 1 1 '(NH4)2SO4' ? ? ?
|
| 344 |
+
1 2 1 MgCl2 ? ? ?
|
| 345 |
+
1 3 1 spermidine ? ? ?
|
| 346 |
+
1 4 1 tris-HCl ? ? ?
|
| 347 |
+
1 5 2 '(NH4)2SO4' ? ? ?
|
| 348 |
+
1 6 2 MgCl2 ? ? ?
|
| 349 |
+
1 7 2 tris-HCl ? ? ?
|
| 350 |
+
#
|
| 351 |
+
loop_
|
| 352 |
+
_diffrn.id
|
| 353 |
+
_diffrn.ambient_temp
|
| 354 |
+
_diffrn.ambient_temp_details
|
| 355 |
+
_diffrn.crystal_id
|
| 356 |
+
1 193 ? 1
|
| 357 |
+
2 193 ? 1
|
| 358 |
+
#
|
| 359 |
+
loop_
|
| 360 |
+
_diffrn_detector.diffrn_id
|
| 361 |
+
_diffrn_detector.detector
|
| 362 |
+
_diffrn_detector.type
|
| 363 |
+
_diffrn_detector.pdbx_collection_date
|
| 364 |
+
_diffrn_detector.details
|
| 365 |
+
1 'IMAGE PLATE' 'RIGAKU RAXIS IIC' 2001-01-31 'focusing mirrors'
|
| 366 |
+
2 CCD CUSTOM-MADE 2001-04-13 ?
|
| 367 |
+
#
|
| 368 |
+
loop_
|
| 369 |
+
_diffrn_radiation.diffrn_id
|
| 370 |
+
_diffrn_radiation.wavelength_id
|
| 371 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l
|
| 372 |
+
_diffrn_radiation.monochromator
|
| 373 |
+
_diffrn_radiation.pdbx_diffrn_protocol
|
| 374 |
+
_diffrn_radiation.pdbx_scattering_type
|
| 375 |
+
1 1 M 'focusing mirrors' 'SINGLE WAVELENGTH' x-ray
|
| 376 |
+
2 1 M 'double crystal' 'SINGLE WAVELENGTH' x-ray
|
| 377 |
+
#
|
| 378 |
+
loop_
|
| 379 |
+
_diffrn_radiation_wavelength.id
|
| 380 |
+
_diffrn_radiation_wavelength.wavelength
|
| 381 |
+
_diffrn_radiation_wavelength.wt
|
| 382 |
+
1 1.5418 1.0
|
| 383 |
+
2 0.91939 1.0
|
| 384 |
+
#
|
| 385 |
+
loop_
|
| 386 |
+
_diffrn_source.diffrn_id
|
| 387 |
+
_diffrn_source.source
|
| 388 |
+
_diffrn_source.type
|
| 389 |
+
_diffrn_source.pdbx_synchrotron_site
|
| 390 |
+
_diffrn_source.pdbx_synchrotron_beamline
|
| 391 |
+
_diffrn_source.pdbx_wavelength
|
| 392 |
+
_diffrn_source.pdbx_wavelength_list
|
| 393 |
+
1 'ROTATING ANODE' 'RIGAKU RU200' ? ? ? 1.5418
|
| 394 |
+
2 SYNCHROTRON 'NSLS BEAMLINE X25' NSLS X25 ? 0.91939
|
| 395 |
+
#
|
| 396 |
+
_reflns.entry_id 1MHK
|
| 397 |
+
_reflns.observed_criterion_sigma_I 1.
|
| 398 |
+
_reflns.observed_criterion_sigma_F ?
|
| 399 |
+
_reflns.d_resolution_low 15.0
|
| 400 |
+
_reflns.d_resolution_high 2.50
|
| 401 |
+
_reflns.number_obs 3220
|
| 402 |
+
_reflns.number_all ?
|
| 403 |
+
_reflns.percent_possible_obs 98.6
|
| 404 |
+
_reflns.pdbx_Rmerge_I_obs ?
|
| 405 |
+
_reflns.pdbx_Rsym_value 0.128
|
| 406 |
+
_reflns.pdbx_netI_over_sigmaI 10.35
|
| 407 |
+
_reflns.B_iso_Wilson_estimate 57.5
|
| 408 |
+
_reflns.pdbx_redundancy 17.69
|
| 409 |
+
_reflns.R_free_details ?
|
| 410 |
+
_reflns.pdbx_diffrn_id 1,2
|
| 411 |
+
_reflns.pdbx_ordinal 1
|
| 412 |
+
#
|
| 413 |
+
_reflns_shell.d_res_high 2.50
|
| 414 |
+
_reflns_shell.d_res_low ?
|
| 415 |
+
_reflns_shell.percent_possible_all 98.7
|
| 416 |
+
_reflns_shell.Rmerge_I_obs ?
|
| 417 |
+
_reflns_shell.pdbx_Rsym_value 0.342
|
| 418 |
+
_reflns_shell.meanI_over_sigI_obs 2.55
|
| 419 |
+
_reflns_shell.pdbx_redundancy 4.59
|
| 420 |
+
_reflns_shell.percent_possible_obs ?
|
| 421 |
+
_reflns_shell.number_unique_all 307
|
| 422 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 423 |
+
_reflns_shell.pdbx_ordinal 1
|
| 424 |
+
#
|
| 425 |
+
_refine.entry_id 1MHK
|
| 426 |
+
_refine.ls_number_reflns_obs 3011
|
| 427 |
+
_refine.ls_number_reflns_all 3217
|
| 428 |
+
_refine.pdbx_ls_sigma_I ?
|
| 429 |
+
_refine.pdbx_ls_sigma_F 2.0
|
| 430 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 431 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 432 |
+
_refine.ls_d_res_low 15.0
|
| 433 |
+
_refine.ls_d_res_high 2.50
|
| 434 |
+
_refine.ls_percent_reflns_obs 93.6
|
| 435 |
+
_refine.ls_R_factor_obs 0.243
|
| 436 |
+
_refine.ls_R_factor_all ?
|
| 437 |
+
_refine.ls_R_factor_R_work 0.2391
|
| 438 |
+
_refine.ls_R_factor_R_free 0.27
|
| 439 |
+
_refine.ls_R_factor_R_free_error 0.017
|
| 440 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 441 |
+
_refine.ls_percent_reflns_R_free 8.4
|
| 442 |
+
_refine.ls_number_reflns_R_free 252
|
| 443 |
+
_refine.ls_number_parameters ?
|
| 444 |
+
_refine.ls_number_restraints ?
|
| 445 |
+
_refine.occupancy_min ?
|
| 446 |
+
_refine.occupancy_max ?
|
| 447 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 448 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 449 |
+
_refine.B_iso_mean 55.8
|
| 450 |
+
_refine.aniso_B[1][1] 6.17
|
| 451 |
+
_refine.aniso_B[2][2] 5.29
|
| 452 |
+
_refine.aniso_B[3][3] -11.46
|
| 453 |
+
_refine.aniso_B[1][2] 0.00
|
| 454 |
+
_refine.aniso_B[1][3] 20.29
|
| 455 |
+
_refine.aniso_B[2][3] 0.00
|
| 456 |
+
_refine.solvent_model_details 'FLAT MODEL'
|
| 457 |
+
_refine.solvent_model_param_ksol 0.402743
|
| 458 |
+
_refine.solvent_model_param_bsol 54.1757
|
| 459 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 460 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 461 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 462 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 463 |
+
_refine.details ?
|
| 464 |
+
_refine.pdbx_starting_model '6mer A-form RNA helix'
|
| 465 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 466 |
+
_refine.pdbx_isotropic_thermal_model RESTRAINED
|
| 467 |
+
_refine.pdbx_stereochemistry_target_values 'CNS standard parameter files:dna_rnarep.param'
|
| 468 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 469 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 470 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 471 |
+
_refine.overall_SU_B ?
|
| 472 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 473 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 474 |
+
_refine.overall_SU_R_free ?
|
| 475 |
+
_refine.overall_SU_ML ?
|
| 476 |
+
_refine.pdbx_overall_ESU_R ?
|
| 477 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 478 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 479 |
+
_refine.pdbx_diffrn_id 1
|
| 480 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 481 |
+
_refine.pdbx_overall_phase_error ?
|
| 482 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 483 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 484 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 485 |
+
#
|
| 486 |
+
_refine_analyze.entry_id 1MHK
|
| 487 |
+
_refine_analyze.Luzzati_coordinate_error_obs 0.42
|
| 488 |
+
_refine_analyze.Luzzati_sigma_a_obs 0.59
|
| 489 |
+
_refine_analyze.Luzzati_d_res_low_obs 5.00
|
| 490 |
+
_refine_analyze.Luzzati_coordinate_error_free 0.49
|
| 491 |
+
_refine_analyze.Luzzati_sigma_a_free 0.57
|
| 492 |
+
_refine_analyze.Luzzati_d_res_low_free ?
|
| 493 |
+
_refine_analyze.number_disordered_residues ?
|
| 494 |
+
_refine_analyze.occupancy_sum_hydrogen ?
|
| 495 |
+
_refine_analyze.occupancy_sum_non_hydrogen ?
|
| 496 |
+
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 497 |
+
#
|
| 498 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 499 |
+
_refine_hist.cycle_id LAST
|
| 500 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 501 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 548
|
| 502 |
+
_refine_hist.pdbx_number_atoms_ligand 1
|
| 503 |
+
_refine_hist.number_atoms_solvent 21
|
| 504 |
+
_refine_hist.number_atoms_total 570
|
| 505 |
+
_refine_hist.d_res_high 2.50
|
| 506 |
+
_refine_hist.d_res_low 15.0
|
| 507 |
+
#
|
| 508 |
+
loop_
|
| 509 |
+
_refine_ls_restr.type
|
| 510 |
+
_refine_ls_restr.dev_ideal
|
| 511 |
+
_refine_ls_restr.dev_ideal_target
|
| 512 |
+
_refine_ls_restr.weight
|
| 513 |
+
_refine_ls_restr.number
|
| 514 |
+
_refine_ls_restr.pdbx_refine_id
|
| 515 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 516 |
+
c_bond_d 0.006 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 517 |
+
c_angle_deg 1.08 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 518 |
+
c_dihedral_angle_d 14.0 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 519 |
+
c_improper_angle_d 1.46 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 520 |
+
#
|
| 521 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used 6
|
| 522 |
+
_refine_ls_shell.d_res_high 2.50
|
| 523 |
+
_refine_ls_shell.d_res_low 2.66
|
| 524 |
+
_refine_ls_shell.number_reflns_R_work 359
|
| 525 |
+
_refine_ls_shell.R_factor_R_work 0.404
|
| 526 |
+
_refine_ls_shell.percent_reflns_obs 78.8
|
| 527 |
+
_refine_ls_shell.R_factor_R_free 0.335
|
| 528 |
+
_refine_ls_shell.R_factor_R_free_error 0.060
|
| 529 |
+
_refine_ls_shell.percent_reflns_R_free 7.4
|
| 530 |
+
_refine_ls_shell.number_reflns_R_free 31
|
| 531 |
+
_refine_ls_shell.redundancy_reflns_obs ?
|
| 532 |
+
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 533 |
+
_refine_ls_shell.number_reflns_all ?
|
| 534 |
+
_refine_ls_shell.R_factor_all ?
|
| 535 |
+
#
|
| 536 |
+
loop_
|
| 537 |
+
_pdbx_xplor_file.serial_no
|
| 538 |
+
_pdbx_xplor_file.param_file
|
| 539 |
+
_pdbx_xplor_file.topol_file
|
| 540 |
+
_pdbx_xplor_file.pdbx_refine_id
|
| 541 |
+
1 DNA-RNA_REP-BR2.PARAM DNA-RNA-BR2.TOP 'X-RAY DIFFRACTION'
|
| 542 |
+
2 WATER.PARAM WATER.TOP 'X-RAY DIFFRACTION'
|
| 543 |
+
3 ION.PARAM ION.TOP 'X-RAY DIFFRACTION'
|
| 544 |
+
#
|
| 545 |
+
_database_PDB_matrix.entry_id 1MHK
|
| 546 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 547 |
+
_database_PDB_matrix.origx[1][2] .000000
|
| 548 |
+
_database_PDB_matrix.origx[1][3] .000000
|
| 549 |
+
_database_PDB_matrix.origx[2][1] .000000
|
| 550 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 551 |
+
_database_PDB_matrix.origx[2][3] .000000
|
| 552 |
+
_database_PDB_matrix.origx[3][1] .000000
|
| 553 |
+
_database_PDB_matrix.origx[3][2] .000000
|
| 554 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 555 |
+
_database_PDB_matrix.origx_vector[1] .00000
|
| 556 |
+
_database_PDB_matrix.origx_vector[2] .00000
|
| 557 |
+
_database_PDB_matrix.origx_vector[3] .00000
|
| 558 |
+
#
|
| 559 |
+
_struct.entry_id 1MHK
|
| 560 |
+
_struct.title 'Crystal Structure Analysis of a 26mer RNA molecule, representing a new RNA motif, the hook-turn'
|
| 561 |
+
_struct.pdbx_model_details ?
|
| 562 |
+
_struct.pdbx_CASP_flag ?
|
| 563 |
+
_struct.pdbx_model_type_details ?
|
| 564 |
+
#
|
| 565 |
+
_struct_keywords.entry_id 1MHK
|
| 566 |
+
_struct_keywords.pdbx_keywords RNA
|
| 567 |
+
_struct_keywords.text 'helix, 180 degree turn, RNA'
|
| 568 |
+
#
|
| 569 |
+
loop_
|
| 570 |
+
_struct_asym.id
|
| 571 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 572 |
+
_struct_asym.pdbx_modified
|
| 573 |
+
_struct_asym.entity_id
|
| 574 |
+
_struct_asym.details
|
| 575 |
+
A N N 1 ?
|
| 576 |
+
B N N 2 ?
|
| 577 |
+
C N N 3 ?
|
| 578 |
+
D N N 4 ?
|
| 579 |
+
E N N 4 ?
|
| 580 |
+
#
|
| 581 |
+
loop_
|
| 582 |
+
_struct_ref.id
|
| 583 |
+
_struct_ref.entity_id
|
| 584 |
+
_struct_ref.db_name
|
| 585 |
+
_struct_ref.db_code
|
| 586 |
+
_struct_ref.pdbx_db_accession
|
| 587 |
+
_struct_ref.pdbx_db_isoform
|
| 588 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 589 |
+
_struct_ref.pdbx_align_begin
|
| 590 |
+
1 1 PDB 1MHK 1MHK ? ? ?
|
| 591 |
+
2 2 PDB 1MHK 1MHK ? ? ?
|
| 592 |
+
#
|
| 593 |
+
loop_
|
| 594 |
+
_struct_ref_seq.align_id
|
| 595 |
+
_struct_ref_seq.ref_id
|
| 596 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 597 |
+
_struct_ref_seq.pdbx_strand_id
|
| 598 |
+
_struct_ref_seq.seq_align_beg
|
| 599 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 600 |
+
_struct_ref_seq.seq_align_end
|
| 601 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 602 |
+
_struct_ref_seq.pdbx_db_accession
|
| 603 |
+
_struct_ref_seq.db_align_beg
|
| 604 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 605 |
+
_struct_ref_seq.db_align_end
|
| 606 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 607 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 608 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 609 |
+
1 1 1MHK S 1 ? 12 ? 1MHK 1 ? 12 ? 1 12
|
| 610 |
+
2 2 1MHK L 1 ? 14 ? 1MHK 1 ? 14 ? 1 14
|
| 611 |
+
#
|
| 612 |
+
_pdbx_struct_assembly.id 1
|
| 613 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 614 |
+
_pdbx_struct_assembly.method_details ?
|
| 615 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 616 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 617 |
+
#
|
| 618 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 619 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 620 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E
|
| 621 |
+
#
|
| 622 |
+
_pdbx_struct_oper_list.id 1
|
| 623 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 624 |
+
_pdbx_struct_oper_list.name 1_555
|
| 625 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 626 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 627 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 628 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 629 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 630 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 631 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 632 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 633 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 634 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 635 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 636 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 637 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 638 |
+
#
|
| 639 |
+
_struct_biol.id 1
|
| 640 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 641 |
+
_struct_biol.details ?
|
| 642 |
+
#
|
| 643 |
+
loop_
|
| 644 |
+
_struct_conn.id
|
| 645 |
+
_struct_conn.conn_type_id
|
| 646 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 647 |
+
_struct_conn.pdbx_PDB_id
|
| 648 |
+
_struct_conn.ptnr1_label_asym_id
|
| 649 |
+
_struct_conn.ptnr1_label_comp_id
|
| 650 |
+
_struct_conn.ptnr1_label_seq_id
|
| 651 |
+
_struct_conn.ptnr1_label_atom_id
|
| 652 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 653 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 654 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 655 |
+
_struct_conn.ptnr1_symmetry
|
| 656 |
+
_struct_conn.ptnr2_label_asym_id
|
| 657 |
+
_struct_conn.ptnr2_label_comp_id
|
| 658 |
+
_struct_conn.ptnr2_label_seq_id
|
| 659 |
+
_struct_conn.ptnr2_label_atom_id
|
| 660 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 661 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 662 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 663 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 664 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 665 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 666 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 667 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 668 |
+
_struct_conn.ptnr2_symmetry
|
| 669 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 670 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 671 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 672 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 673 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 674 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 675 |
+
_struct_conn.details
|
| 676 |
+
_struct_conn.pdbx_dist_value
|
| 677 |
+
_struct_conn.pdbx_value_order
|
| 678 |
+
_struct_conn.pdbx_role
|
| 679 |
+
covale1 covale one ? A U 4 C5 ? ? ? 1_555 C BR . BR ? ? S U 4 S BR 13 1_555 ? ? ? ? ? ? ? 1.875 ? ?
|
| 680 |
+
hydrog1 hydrog ? ? A C 1 N3 ? ? ? 1_555 B G 14 N1 ? ? S C 1 L G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 681 |
+
hydrog2 hydrog ? ? A C 1 N4 ? ? ? 1_555 B G 14 O6 ? ? S C 1 L G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 682 |
+
hydrog3 hydrog ? ? A C 1 O2 ? ? ? 1_555 B G 14 N2 ? ? S C 1 L G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 683 |
+
hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 B G 13 N1 ? ? S C 2 L G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 684 |
+
hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 B G 13 O6 ? ? S C 2 L G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 685 |
+
hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 B G 13 N2 ? ? S C 2 L G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 686 |
+
hydrog7 hydrog ? ? A A 3 N1 ? ? ? 1_555 B U 12 N3 ? ? S A 3 L U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 687 |
+
hydrog8 hydrog ? ? A A 3 N6 ? ? ? 1_555 B U 12 O4 ? ? S A 3 L U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 688 |
+
hydrog9 hydrog ? ? A U 4 N3 ? ? ? 1_555 B G 11 O6 ? ? S U 4 L G 11 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 689 |
+
hydrog10 hydrog ? ? A U 4 O2 ? ? ? 1_555 B G 11 N1 ? ? S U 4 L G 11 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 690 |
+
hydrog11 hydrog ? ? A G 5 N1 ? ? ? 1_555 B U 10 O2 ? ? S G 5 L U 10 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 691 |
+
hydrog12 hydrog ? ? A G 5 O6 ? ? ? 1_555 B U 10 N3 ? ? S G 5 L U 10 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 692 |
+
hydrog13 hydrog ? ? A C 6 N3 ? ? ? 1_555 B G 9 N1 ? ? S C 6 L G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 693 |
+
hydrog14 hydrog ? ? A C 6 N4 ? ? ? 1_555 B G 9 O6 ? ? S C 6 L G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 694 |
+
hydrog15 hydrog ? ? A C 6 O2 ? ? ? 1_555 B G 9 N2 ? ? S C 6 L G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 695 |
+
hydrog16 hydrog ? ? A G 7 N2 ? ? ? 1_555 B A 8 N7 ? ? S G 7 L A 8 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 696 |
+
hydrog17 hydrog ? ? A G 7 N3 ? ? ? 1_555 B A 8 N6 ? ? S G 7 L A 8 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 697 |
+
hydrog18 hydrog ? ? A A 8 N7 ? ? ? 1_555 B U 7 N3 ? ? S A 8 L U 7 1_555 ? ? ? ? ? ? 'A-U PAIR' ? ? ?
|
| 698 |
+
hydrog19 hydrog ? ? A A 9 N3 ? ? ? 1_555 B G 9 N2 ? ? S A 9 L G 9 1_555 ? ? ? ? ? ? 'A-G MISPAIR' ? ? ?
|
| 699 |
+
hydrog20 hydrog ? ? B C 1 N4 ? ? ? 1_555 B C 6 N3 ? ? L C 1 L C 6 2_556 ? ? ? ? ? ? 'C-C MISPAIR' ? ? ?
|
| 700 |
+
hydrog21 hydrog ? ? B G 2 N1 ? ? ? 1_555 B C 5 N3 ? ? L G 2 L C 5 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 701 |
+
hydrog22 hydrog ? ? B G 2 N2 ? ? ? 1_555 B C 5 O2 ? ? L G 2 L C 5 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 702 |
+
hydrog23 hydrog ? ? B G 2 O6 ? ? ? 1_555 B C 5 N4 ? ? L G 2 L C 5 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 703 |
+
hydrog24 hydrog ? ? B A 3 N1 ? ? ? 1_555 B U 4 N3 ? ? L A 3 L U 4 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 704 |
+
hydrog25 hydrog ? ? B A 3 N6 ? ? ? 1_555 B U 4 O4 ? ? L A 3 L U 4 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 705 |
+
hydrog26 hydrog ? ? B U 4 N3 ? ? ? 1_555 B A 3 N1 ? ? L U 4 L A 3 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 706 |
+
hydrog27 hydrog ? ? B U 4 O4 ? ? ? 1_555 B A 3 N6 ? ? L U 4 L A 3 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 707 |
+
hydrog28 hydrog ? ? B C 5 N3 ? ? ? 1_555 B G 2 N1 ? ? L C 5 L G 2 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 708 |
+
hydrog29 hydrog ? ? B C 5 N4 ? ? ? 1_555 B G 2 O6 ? ? L C 5 L G 2 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 709 |
+
hydrog30 hydrog ? ? B C 5 O2 ? ? ? 1_555 B G 2 N2 ? ? L C 5 L G 2 2_556 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 710 |
+
hydrog31 hydrog ? ? B C 6 N3 ? ? ? 1_555 B C 1 N4 ? ? L C 6 L C 1 2_556 ? ? ? ? ? ? 'C-C MISPAIR' ? ? ?
|
| 711 |
+
#
|
| 712 |
+
loop_
|
| 713 |
+
_struct_conn_type.id
|
| 714 |
+
_struct_conn_type.criteria
|
| 715 |
+
_struct_conn_type.reference
|
| 716 |
+
covale ? ?
|
| 717 |
+
hydrog ? ?
|
| 718 |
+
#
|
| 719 |
+
_struct_site.id AC1
|
| 720 |
+
_struct_site.pdbx_evidence_code Software
|
| 721 |
+
_struct_site.pdbx_auth_asym_id S
|
| 722 |
+
_struct_site.pdbx_auth_comp_id BR
|
| 723 |
+
_struct_site.pdbx_auth_seq_id 13
|
| 724 |
+
_struct_site.pdbx_auth_ins_code ?
|
| 725 |
+
_struct_site.pdbx_num_residues 2
|
| 726 |
+
_struct_site.details 'BINDING SITE FOR RESIDUE BR S 13'
|
| 727 |
+
#
|
| 728 |
+
loop_
|
| 729 |
+
_struct_site_gen.id
|
| 730 |
+
_struct_site_gen.site_id
|
| 731 |
+
_struct_site_gen.pdbx_num_res
|
| 732 |
+
_struct_site_gen.label_comp_id
|
| 733 |
+
_struct_site_gen.label_asym_id
|
| 734 |
+
_struct_site_gen.label_seq_id
|
| 735 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 736 |
+
_struct_site_gen.auth_comp_id
|
| 737 |
+
_struct_site_gen.auth_asym_id
|
| 738 |
+
_struct_site_gen.auth_seq_id
|
| 739 |
+
_struct_site_gen.label_atom_id
|
| 740 |
+
_struct_site_gen.label_alt_id
|
| 741 |
+
_struct_site_gen.symmetry
|
| 742 |
+
_struct_site_gen.details
|
| 743 |
+
1 AC1 2 A A 3 ? A S 3 . ? 1_555 ?
|
| 744 |
+
2 AC1 2 U A 4 ? U S 4 . ? 1_555 ?
|
| 745 |
+
#
|
| 746 |
+
loop_
|
| 747 |
+
_pdbx_struct_special_symmetry.id
|
| 748 |
+
_pdbx_struct_special_symmetry.PDB_model_num
|
| 749 |
+
_pdbx_struct_special_symmetry.auth_asym_id
|
| 750 |
+
_pdbx_struct_special_symmetry.auth_comp_id
|
| 751 |
+
_pdbx_struct_special_symmetry.auth_seq_id
|
| 752 |
+
_pdbx_struct_special_symmetry.PDB_ins_code
|
| 753 |
+
_pdbx_struct_special_symmetry.label_asym_id
|
| 754 |
+
_pdbx_struct_special_symmetry.label_comp_id
|
| 755 |
+
_pdbx_struct_special_symmetry.label_seq_id
|
| 756 |
+
1 1 S HOH 16 ? D HOH .
|
| 757 |
+
2 1 L HOH 19 ? E HOH .
|
| 758 |
+
#
|
| 759 |
+
loop_
|
| 760 |
+
_chem_comp_atom.comp_id
|
| 761 |
+
_chem_comp_atom.atom_id
|
| 762 |
+
_chem_comp_atom.type_symbol
|
| 763 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 764 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 765 |
+
_chem_comp_atom.pdbx_ordinal
|
| 766 |
+
A OP3 O N N 1
|
| 767 |
+
A P P N N 2
|
| 768 |
+
A OP1 O N N 3
|
| 769 |
+
A OP2 O N N 4
|
| 770 |
+
A "O5'" O N N 5
|
| 771 |
+
A "C5'" C N N 6
|
| 772 |
+
A "C4'" C N R 7
|
| 773 |
+
A "O4'" O N N 8
|
| 774 |
+
A "C3'" C N S 9
|
| 775 |
+
A "O3'" O N N 10
|
| 776 |
+
A "C2'" C N R 11
|
| 777 |
+
A "O2'" O N N 12
|
| 778 |
+
A "C1'" C N R 13
|
| 779 |
+
A N9 N Y N 14
|
| 780 |
+
A C8 C Y N 15
|
| 781 |
+
A N7 N Y N 16
|
| 782 |
+
A C5 C Y N 17
|
| 783 |
+
A C6 C Y N 18
|
| 784 |
+
A N6 N N N 19
|
| 785 |
+
A N1 N Y N 20
|
| 786 |
+
A C2 C Y N 21
|
| 787 |
+
A N3 N Y N 22
|
| 788 |
+
A C4 C Y N 23
|
| 789 |
+
A HOP3 H N N 24
|
| 790 |
+
A HOP2 H N N 25
|
| 791 |
+
A "H5'" H N N 26
|
| 792 |
+
A "H5''" H N N 27
|
| 793 |
+
A "H4'" H N N 28
|
| 794 |
+
A "H3'" H N N 29
|
| 795 |
+
A "HO3'" H N N 30
|
| 796 |
+
A "H2'" H N N 31
|
| 797 |
+
A "HO2'" H N N 32
|
| 798 |
+
A "H1'" H N N 33
|
| 799 |
+
A H8 H N N 34
|
| 800 |
+
A H61 H N N 35
|
| 801 |
+
A H62 H N N 36
|
| 802 |
+
A H2 H N N 37
|
| 803 |
+
BR BR BR N N 38
|
| 804 |
+
C OP3 O N N 39
|
| 805 |
+
C P P N N 40
|
| 806 |
+
C OP1 O N N 41
|
| 807 |
+
C OP2 O N N 42
|
| 808 |
+
C "O5'" O N N 43
|
| 809 |
+
C "C5'" C N N 44
|
| 810 |
+
C "C4'" C N R 45
|
| 811 |
+
C "O4'" O N N 46
|
| 812 |
+
C "C3'" C N S 47
|
| 813 |
+
C "O3'" O N N 48
|
| 814 |
+
C "C2'" C N R 49
|
| 815 |
+
C "O2'" O N N 50
|
| 816 |
+
C "C1'" C N R 51
|
| 817 |
+
C N1 N N N 52
|
| 818 |
+
C C2 C N N 53
|
| 819 |
+
C O2 O N N 54
|
| 820 |
+
C N3 N N N 55
|
| 821 |
+
C C4 C N N 56
|
| 822 |
+
C N4 N N N 57
|
| 823 |
+
C C5 C N N 58
|
| 824 |
+
C C6 C N N 59
|
| 825 |
+
C HOP3 H N N 60
|
| 826 |
+
C HOP2 H N N 61
|
| 827 |
+
C "H5'" H N N 62
|
| 828 |
+
C "H5''" H N N 63
|
| 829 |
+
C "H4'" H N N 64
|
| 830 |
+
C "H3'" H N N 65
|
| 831 |
+
C "HO3'" H N N 66
|
| 832 |
+
C "H2'" H N N 67
|
| 833 |
+
C "HO2'" H N N 68
|
| 834 |
+
C "H1'" H N N 69
|
| 835 |
+
C H41 H N N 70
|
| 836 |
+
C H42 H N N 71
|
| 837 |
+
C H5 H N N 72
|
| 838 |
+
C H6 H N N 73
|
| 839 |
+
G OP3 O N N 74
|
| 840 |
+
G P P N N 75
|
| 841 |
+
G OP1 O N N 76
|
| 842 |
+
G OP2 O N N 77
|
| 843 |
+
G "O5'" O N N 78
|
| 844 |
+
G "C5'" C N N 79
|
| 845 |
+
G "C4'" C N R 80
|
| 846 |
+
G "O4'" O N N 81
|
| 847 |
+
G "C3'" C N S 82
|
| 848 |
+
G "O3'" O N N 83
|
| 849 |
+
G "C2'" C N R 84
|
| 850 |
+
G "O2'" O N N 85
|
| 851 |
+
G "C1'" C N R 86
|
| 852 |
+
G N9 N Y N 87
|
| 853 |
+
G C8 C Y N 88
|
| 854 |
+
G N7 N Y N 89
|
| 855 |
+
G C5 C Y N 90
|
| 856 |
+
G C6 C N N 91
|
| 857 |
+
G O6 O N N 92
|
| 858 |
+
G N1 N N N 93
|
| 859 |
+
G C2 C N N 94
|
| 860 |
+
G N2 N N N 95
|
| 861 |
+
G N3 N N N 96
|
| 862 |
+
G C4 C Y N 97
|
| 863 |
+
G HOP3 H N N 98
|
| 864 |
+
G HOP2 H N N 99
|
| 865 |
+
G "H5'" H N N 100
|
| 866 |
+
G "H5''" H N N 101
|
| 867 |
+
G "H4'" H N N 102
|
| 868 |
+
G "H3'" H N N 103
|
| 869 |
+
G "HO3'" H N N 104
|
| 870 |
+
G "H2'" H N N 105
|
| 871 |
+
G "HO2'" H N N 106
|
| 872 |
+
G "H1'" H N N 107
|
| 873 |
+
G H8 H N N 108
|
| 874 |
+
G H1 H N N 109
|
| 875 |
+
G H21 H N N 110
|
| 876 |
+
G H22 H N N 111
|
| 877 |
+
HOH O O N N 112
|
| 878 |
+
HOH H1 H N N 113
|
| 879 |
+
HOH H2 H N N 114
|
| 880 |
+
U OP3 O N N 115
|
| 881 |
+
U P P N N 116
|
| 882 |
+
U OP1 O N N 117
|
| 883 |
+
U OP2 O N N 118
|
| 884 |
+
U "O5'" O N N 119
|
| 885 |
+
U "C5'" C N N 120
|
| 886 |
+
U "C4'" C N R 121
|
| 887 |
+
U "O4'" O N N 122
|
| 888 |
+
U "C3'" C N S 123
|
| 889 |
+
U "O3'" O N N 124
|
| 890 |
+
U "C2'" C N R 125
|
| 891 |
+
U "O2'" O N N 126
|
| 892 |
+
U "C1'" C N R 127
|
| 893 |
+
U N1 N N N 128
|
| 894 |
+
U C2 C N N 129
|
| 895 |
+
U O2 O N N 130
|
| 896 |
+
U N3 N N N 131
|
| 897 |
+
U C4 C N N 132
|
| 898 |
+
U O4 O N N 133
|
| 899 |
+
U C5 C N N 134
|
| 900 |
+
U C6 C N N 135
|
| 901 |
+
U HOP3 H N N 136
|
| 902 |
+
U HOP2 H N N 137
|
| 903 |
+
U "H5'" H N N 138
|
| 904 |
+
U "H5''" H N N 139
|
| 905 |
+
U "H4'" H N N 140
|
| 906 |
+
U "H3'" H N N 141
|
| 907 |
+
U "HO3'" H N N 142
|
| 908 |
+
U "H2'" H N N 143
|
| 909 |
+
U "HO2'" H N N 144
|
| 910 |
+
U "H1'" H N N 145
|
| 911 |
+
U H3 H N N 146
|
| 912 |
+
U H5 H N N 147
|
| 913 |
+
U H6 H N N 148
|
| 914 |
+
#
|
| 915 |
+
loop_
|
| 916 |
+
_chem_comp_bond.comp_id
|
| 917 |
+
_chem_comp_bond.atom_id_1
|
| 918 |
+
_chem_comp_bond.atom_id_2
|
| 919 |
+
_chem_comp_bond.value_order
|
| 920 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 921 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 922 |
+
_chem_comp_bond.pdbx_ordinal
|
| 923 |
+
A OP3 P sing N N 1
|
| 924 |
+
A OP3 HOP3 sing N N 2
|
| 925 |
+
A P OP1 doub N N 3
|
| 926 |
+
A P OP2 sing N N 4
|
| 927 |
+
A P "O5'" sing N N 5
|
| 928 |
+
A OP2 HOP2 sing N N 6
|
| 929 |
+
A "O5'" "C5'" sing N N 7
|
| 930 |
+
A "C5'" "C4'" sing N N 8
|
| 931 |
+
A "C5'" "H5'" sing N N 9
|
| 932 |
+
A "C5'" "H5''" sing N N 10
|
| 933 |
+
A "C4'" "O4'" sing N N 11
|
| 934 |
+
A "C4'" "C3'" sing N N 12
|
| 935 |
+
A "C4'" "H4'" sing N N 13
|
| 936 |
+
A "O4'" "C1'" sing N N 14
|
| 937 |
+
A "C3'" "O3'" sing N N 15
|
| 938 |
+
A "C3'" "C2'" sing N N 16
|
| 939 |
+
A "C3'" "H3'" sing N N 17
|
| 940 |
+
A "O3'" "HO3'" sing N N 18
|
| 941 |
+
A "C2'" "O2'" sing N N 19
|
| 942 |
+
A "C2'" "C1'" sing N N 20
|
| 943 |
+
A "C2'" "H2'" sing N N 21
|
| 944 |
+
A "O2'" "HO2'" sing N N 22
|
| 945 |
+
A "C1'" N9 sing N N 23
|
| 946 |
+
A "C1'" "H1'" sing N N 24
|
| 947 |
+
A N9 C8 sing Y N 25
|
| 948 |
+
A N9 C4 sing Y N 26
|
| 949 |
+
A C8 N7 doub Y N 27
|
| 950 |
+
A C8 H8 sing N N 28
|
| 951 |
+
A N7 C5 sing Y N 29
|
| 952 |
+
A C5 C6 sing Y N 30
|
| 953 |
+
A C5 C4 doub Y N 31
|
| 954 |
+
A C6 N6 sing N N 32
|
| 955 |
+
A C6 N1 doub Y N 33
|
| 956 |
+
A N6 H61 sing N N 34
|
| 957 |
+
A N6 H62 sing N N 35
|
| 958 |
+
A N1 C2 sing Y N 36
|
| 959 |
+
A C2 N3 doub Y N 37
|
| 960 |
+
A C2 H2 sing N N 38
|
| 961 |
+
A N3 C4 sing Y N 39
|
| 962 |
+
C OP3 P sing N N 40
|
| 963 |
+
C OP3 HOP3 sing N N 41
|
| 964 |
+
C P OP1 doub N N 42
|
| 965 |
+
C P OP2 sing N N 43
|
| 966 |
+
C P "O5'" sing N N 44
|
| 967 |
+
C OP2 HOP2 sing N N 45
|
| 968 |
+
C "O5'" "C5'" sing N N 46
|
| 969 |
+
C "C5'" "C4'" sing N N 47
|
| 970 |
+
C "C5'" "H5'" sing N N 48
|
| 971 |
+
C "C5'" "H5''" sing N N 49
|
| 972 |
+
C "C4'" "O4'" sing N N 50
|
| 973 |
+
C "C4'" "C3'" sing N N 51
|
| 974 |
+
C "C4'" "H4'" sing N N 52
|
| 975 |
+
C "O4'" "C1'" sing N N 53
|
| 976 |
+
C "C3'" "O3'" sing N N 54
|
| 977 |
+
C "C3'" "C2'" sing N N 55
|
| 978 |
+
C "C3'" "H3'" sing N N 56
|
| 979 |
+
C "O3'" "HO3'" sing N N 57
|
| 980 |
+
C "C2'" "O2'" sing N N 58
|
| 981 |
+
C "C2'" "C1'" sing N N 59
|
| 982 |
+
C "C2'" "H2'" sing N N 60
|
| 983 |
+
C "O2'" "HO2'" sing N N 61
|
| 984 |
+
C "C1'" N1 sing N N 62
|
| 985 |
+
C "C1'" "H1'" sing N N 63
|
| 986 |
+
C N1 C2 sing N N 64
|
| 987 |
+
C N1 C6 sing N N 65
|
| 988 |
+
C C2 O2 doub N N 66
|
| 989 |
+
C C2 N3 sing N N 67
|
| 990 |
+
C N3 C4 doub N N 68
|
| 991 |
+
C C4 N4 sing N N 69
|
| 992 |
+
C C4 C5 sing N N 70
|
| 993 |
+
C N4 H41 sing N N 71
|
| 994 |
+
C N4 H42 sing N N 72
|
| 995 |
+
C C5 C6 doub N N 73
|
| 996 |
+
C C5 H5 sing N N 74
|
| 997 |
+
C C6 H6 sing N N 75
|
| 998 |
+
G OP3 P sing N N 76
|
| 999 |
+
G OP3 HOP3 sing N N 77
|
| 1000 |
+
G P OP1 doub N N 78
|
| 1001 |
+
G P OP2 sing N N 79
|
| 1002 |
+
G P "O5'" sing N N 80
|
| 1003 |
+
G OP2 HOP2 sing N N 81
|
| 1004 |
+
G "O5'" "C5'" sing N N 82
|
| 1005 |
+
G "C5'" "C4'" sing N N 83
|
| 1006 |
+
G "C5'" "H5'" sing N N 84
|
| 1007 |
+
G "C5'" "H5''" sing N N 85
|
| 1008 |
+
G "C4'" "O4'" sing N N 86
|
| 1009 |
+
G "C4'" "C3'" sing N N 87
|
| 1010 |
+
G "C4'" "H4'" sing N N 88
|
| 1011 |
+
G "O4'" "C1'" sing N N 89
|
| 1012 |
+
G "C3'" "O3'" sing N N 90
|
| 1013 |
+
G "C3'" "C2'" sing N N 91
|
| 1014 |
+
G "C3'" "H3'" sing N N 92
|
| 1015 |
+
G "O3'" "HO3'" sing N N 93
|
| 1016 |
+
G "C2'" "O2'" sing N N 94
|
| 1017 |
+
G "C2'" "C1'" sing N N 95
|
| 1018 |
+
G "C2'" "H2'" sing N N 96
|
| 1019 |
+
G "O2'" "HO2'" sing N N 97
|
| 1020 |
+
G "C1'" N9 sing N N 98
|
| 1021 |
+
G "C1'" "H1'" sing N N 99
|
| 1022 |
+
G N9 C8 sing Y N 100
|
| 1023 |
+
G N9 C4 sing Y N 101
|
| 1024 |
+
G C8 N7 doub Y N 102
|
| 1025 |
+
G C8 H8 sing N N 103
|
| 1026 |
+
G N7 C5 sing Y N 104
|
| 1027 |
+
G C5 C6 sing N N 105
|
| 1028 |
+
G C5 C4 doub Y N 106
|
| 1029 |
+
G C6 O6 doub N N 107
|
| 1030 |
+
G C6 N1 sing N N 108
|
| 1031 |
+
G N1 C2 sing N N 109
|
| 1032 |
+
G N1 H1 sing N N 110
|
| 1033 |
+
G C2 N2 sing N N 111
|
| 1034 |
+
G C2 N3 doub N N 112
|
| 1035 |
+
G N2 H21 sing N N 113
|
| 1036 |
+
G N2 H22 sing N N 114
|
| 1037 |
+
G N3 C4 sing N N 115
|
| 1038 |
+
HOH O H1 sing N N 116
|
| 1039 |
+
HOH O H2 sing N N 117
|
| 1040 |
+
U OP3 P sing N N 118
|
| 1041 |
+
U OP3 HOP3 sing N N 119
|
| 1042 |
+
U P OP1 doub N N 120
|
| 1043 |
+
U P OP2 sing N N 121
|
| 1044 |
+
U P "O5'" sing N N 122
|
| 1045 |
+
U OP2 HOP2 sing N N 123
|
| 1046 |
+
U "O5'" "C5'" sing N N 124
|
| 1047 |
+
U "C5'" "C4'" sing N N 125
|
| 1048 |
+
U "C5'" "H5'" sing N N 126
|
| 1049 |
+
U "C5'" "H5''" sing N N 127
|
| 1050 |
+
U "C4'" "O4'" sing N N 128
|
| 1051 |
+
U "C4'" "C3'" sing N N 129
|
| 1052 |
+
U "C4'" "H4'" sing N N 130
|
| 1053 |
+
U "O4'" "C1'" sing N N 131
|
| 1054 |
+
U "C3'" "O3'" sing N N 132
|
| 1055 |
+
U "C3'" "C2'" sing N N 133
|
| 1056 |
+
U "C3'" "H3'" sing N N 134
|
| 1057 |
+
U "O3'" "HO3'" sing N N 135
|
| 1058 |
+
U "C2'" "O2'" sing N N 136
|
| 1059 |
+
U "C2'" "C1'" sing N N 137
|
| 1060 |
+
U "C2'" "H2'" sing N N 138
|
| 1061 |
+
U "O2'" "HO2'" sing N N 139
|
| 1062 |
+
U "C1'" N1 sing N N 140
|
| 1063 |
+
U "C1'" "H1'" sing N N 141
|
| 1064 |
+
U N1 C2 sing N N 142
|
| 1065 |
+
U N1 C6 sing N N 143
|
| 1066 |
+
U C2 O2 doub N N 144
|
| 1067 |
+
U C2 N3 sing N N 145
|
| 1068 |
+
U N3 C4 sing N N 146
|
| 1069 |
+
U N3 H3 sing N N 147
|
| 1070 |
+
U C4 O4 doub N N 148
|
| 1071 |
+
U C4 C5 sing N N 149
|
| 1072 |
+
U C5 C6 doub N N 150
|
| 1073 |
+
U C5 H5 sing N N 151
|
| 1074 |
+
U C6 H6 sing N N 152
|
| 1075 |
+
#
|
| 1076 |
+
loop_
|
| 1077 |
+
_ndb_struct_conf_na.entry_id
|
| 1078 |
+
_ndb_struct_conf_na.feature
|
| 1079 |
+
1MHK 'double helix'
|
| 1080 |
+
1MHK 'a-form double helix'
|
| 1081 |
+
1MHK 'mismatched base pair'
|
| 1082 |
+
#
|
| 1083 |
+
loop_
|
| 1084 |
+
_ndb_struct_na_base_pair.model_number
|
| 1085 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1086 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1087 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1088 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1089 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1090 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1091 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1092 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1093 |
+
_ndb_struct_na_base_pair.shear
|
| 1094 |
+
_ndb_struct_na_base_pair.stretch
|
| 1095 |
+
_ndb_struct_na_base_pair.stagger
|
| 1096 |
+
_ndb_struct_na_base_pair.buckle
|
| 1097 |
+
_ndb_struct_na_base_pair.propeller
|
| 1098 |
+
_ndb_struct_na_base_pair.opening
|
| 1099 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1100 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1101 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1102 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1103 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1104 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1105 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1106 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1107 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1108 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1109 |
+
1 A C 1 1_555 B G 14 1_555 0.230 0.037 0.061 5.486 -5.863 3.598 1 S_C1:G14_L S 1 ? L 14 ? 19 1
|
| 1110 |
+
1 A C 2 1_555 B G 13 1_555 0.193 0.052 -0.033 3.710 -10.321 1.946 2 S_C2:G13_L S 2 ? L 13 ? 19 1
|
| 1111 |
+
1 A A 3 1_555 B U 12 1_555 0.417 0.010 -0.096 -2.348 -16.880 4.085 3 S_A3:U12_L S 3 ? L 12 ? 20 1
|
| 1112 |
+
1 A U 4 1_555 B G 11 1_555 2.236 -0.603 0.040 4.210 -12.366 -2.437 4 S_U4:G11_L S 4 ? L 11 ? 28 ?
|
| 1113 |
+
1 A G 5 1_555 B U 10 1_555 -2.519 -0.508 -0.262 -4.426 -7.544 -0.544 5 S_G5:U10_L S 5 ? L 10 ? 28 ?
|
| 1114 |
+
1 A C 6 1_555 B G 9 1_555 0.077 -0.208 -0.013 3.108 -12.388 -1.325 6 S_C6:G9_L S 6 ? L 9 ? 19 1
|
| 1115 |
+
1 A G 7 1_555 B A 8 1_555 6.664 -4.470 -0.049 3.994 -15.825 -4.493 7 S_G7:A8_L S 7 ? L 8 ? 11 10
|
| 1116 |
+
1 A A 8 1_555 B U 7 1_555 -4.632 -1.210 0.290 -1.972 -6.488 -110.074 8 S_A8:U7_L S 8 ? L 7 ? ? ?
|
| 1117 |
+
1 B C 1 1_555 B C 6 2_556 -2.404 -1.722 0.721 -14.178 -15.231 18.219 9 L_C1:C6_L L 1 ? L 6 ? ? ?
|
| 1118 |
+
1 B G 2 1_555 B C 5 2_556 -1.200 -0.072 0.042 -4.003 -5.311 8.094 10 L_G2:C5_L L 2 ? L 5 ? 19 1
|
| 1119 |
+
1 B A 3 1_555 B U 4 2_556 -0.217 -0.220 0.364 1.334 -8.800 2.595 11 L_A3:U4_L L 3 ? L 4 ? 20 1
|
| 1120 |
+
1 B U 4 1_555 B A 3 2_556 0.217 -0.220 0.364 -1.334 -8.800 2.595 12 L_U4:A3_L L 4 ? L 3 ? 20 1
|
| 1121 |
+
1 B C 5 1_555 B G 2 2_556 1.200 -0.072 0.042 4.003 -5.311 8.094 13 L_C5:G2_L L 5 ? L 2 ? 19 1
|
| 1122 |
+
1 B C 6 1_555 B C 1 2_556 2.404 -1.722 0.721 14.178 -15.231 18.219 14 L_C6:C1_L L 6 ? L 1 ? ? ?
|
| 1123 |
+
#
|
| 1124 |
+
loop_
|
| 1125 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1126 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1127 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1128 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1129 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1130 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1131 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1132 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1133 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1134 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1135 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1136 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1137 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1138 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1139 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1140 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1141 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1142 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1143 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1144 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1145 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1146 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1147 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1148 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1149 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1150 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1151 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1152 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1153 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1154 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1155 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1156 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1157 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1158 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1159 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1160 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1161 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1162 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1163 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1164 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1165 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1166 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1167 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1168 |
+
1 A C 1 1_555 B G 14 1_555 A C 2 1_555 B G 13 1_555 -0.370 -1.958 3.332 -0.931 4.261 29.665 -4.646 0.528 3.038 8.266
|
| 1169 |
+
1.807 29.977 1 SS_C1C2:G13G14_LL S 1 ? L 14 ? S 2 ? L 13 ?
|
| 1170 |
+
1 A C 2 1_555 B G 13 1_555 A A 3 1_555 B U 12 1_555 -0.331 -1.423 3.433 0.631 10.679 31.165 -4.300 0.691 2.800 19.182
|
| 1171 |
+
-1.134 32.907 2 SS_C2A3:U12G13_LL S 2 ? L 13 ? S 3 ? L 12 ?
|
| 1172 |
+
1 A A 3 1_555 B U 12 1_555 A U 4 1_555 B G 11 1_555 -0.430 -1.105 3.059 -0.777 8.186 36.945 -2.655 0.573 2.768 12.724
|
| 1173 |
+
1.208 37.818 3 SS_A3U4:G11U12_LL S 3 ? L 12 ? S 4 ? L 11 ?
|
| 1174 |
+
1 A U 4 1_555 B G 11 1_555 A G 5 1_555 B U 10 1_555 0.439 -2.689 3.347 0.316 10.726 14.590 -13.189 -1.258 1.125 36.472
|
| 1175 |
+
-1.074 18.095 4 SS_U4G5:U10G11_LL S 4 ? L 11 ? S 5 ? L 10 ?
|
| 1176 |
+
1 A G 5 1_555 B U 10 1_555 A C 6 1_555 B G 9 1_555 -0.069 -1.452 3.124 -1.359 1.108 42.206 -2.123 -0.036 3.088 1.538
|
| 1177 |
+
1.886 42.240 5 SS_G5C6:G9U10_LL S 5 ? L 10 ? S 6 ? L 9 ?
|
| 1178 |
+
1 A C 6 1_555 B G 9 1_555 A G 7 1_555 B A 8 1_555 -0.830 -0.390 3.594 0.964 2.341 56.954 -0.550 0.927 3.563 2.453
|
| 1179 |
+
-1.010 57.005 6 SS_C6G7:A8G9_LL S 6 ? L 9 ? S 7 ? L 8 ?
|
| 1180 |
+
1 A G 7 1_555 B A 8 1_555 A A 8 1_555 B U 7 1_555 -5.680 -0.199 3.289 -10.705 3.968 -13.066 -0.342 -21.549 -0.964 -14.354
|
| 1181 |
+
-38.728 -17.335 7 SS_G7A8:U7A8_LL S 7 ? L 8 ? S 8 ? L 7 ?
|
| 1182 |
+
1 B C 1 1_555 B C 6 2_556 B G 2 1_555 B C 5 2_556 -0.376 -1.189 3.021 4.414 3.966 30.322 -2.920 1.471 2.766 7.492
|
| 1183 |
+
-8.337 30.884 8 LL_C1G2:C5C6_LL L 1 ? L 6 ? L 2 ? L 5 ?
|
| 1184 |
+
1 B G 2 1_555 B C 5 2_556 B A 3 1_555 B U 4 2_556 0.020 -1.552 2.985 -1.179 4.774 35.059 -3.172 -0.185 2.754 7.877
|
| 1185 |
+
1.945 35.391 9 LL_G2A3:U4C5_LL L 2 ? L 5 ? L 3 ? L 4 ?
|
| 1186 |
+
1 B A 3 1_555 B U 4 2_556 B U 4 1_555 B A 3 2_556 0.000 -1.305 3.211 0.000 3.084 36.659 -2.473 0.000 3.095 4.892
|
| 1187 |
+
0.000 36.784 10 LL_A3U4:A3U4_LL L 3 ? L 4 ? L 4 ? L 3 ?
|
| 1188 |
+
1 B U 4 1_555 B A 3 2_556 B C 5 1_555 B G 2 2_556 -0.020 -1.552 2.985 1.179 4.774 35.059 -3.172 0.185 2.754 7.877
|
| 1189 |
+
-1.945 35.391 11 LL_U4C5:G2A3_LL L 4 ? L 3 ? L 5 ? L 2 ?
|
| 1190 |
+
1 B C 5 1_555 B G 2 2_556 B C 6 1_555 B C 1 2_556 0.376 -1.189 3.021 -4.414 3.966 30.322 -2.920 -1.471 2.766 7.492
|
| 1191 |
+
8.337 30.884 12 LL_C5C6:C1G2_LL L 5 ? L 2 ? L 6 ? L 1 ?
|
| 1192 |
+
#
|
| 1193 |
+
_pdbx_initial_refinement_model.id 1
|
| 1194 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1195 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1196 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1197 |
+
_pdbx_initial_refinement_model.accession_code 6MER
|
| 1198 |
+
_pdbx_initial_refinement_model.details '6mer A-form RNA helix'
|
| 1199 |
+
#
|
| 1200 |
+
_atom_sites.entry_id 1MHK
|
| 1201 |
+
_atom_sites.fract_transf_matrix[1][1] .033147
|
| 1202 |
+
_atom_sites.fract_transf_matrix[1][2] .000000
|
| 1203 |
+
_atom_sites.fract_transf_matrix[1][3] .005108
|
| 1204 |
+
_atom_sites.fract_transf_matrix[2][1] .000000
|
| 1205 |
+
_atom_sites.fract_transf_matrix[2][2] .015997
|
| 1206 |
+
_atom_sites.fract_transf_matrix[2][3] .000000
|
| 1207 |
+
_atom_sites.fract_transf_matrix[3][1] .000000
|
| 1208 |
+
_atom_sites.fract_transf_matrix[3][2] .000000
|
| 1209 |
+
_atom_sites.fract_transf_matrix[3][3] .019865
|
| 1210 |
+
_atom_sites.fract_transf_vector[1] .00000
|
| 1211 |
+
_atom_sites.fract_transf_vector[2] .00000
|
| 1212 |
+
_atom_sites.fract_transf_vector[3] .00000
|
| 1213 |
+
#
|
| 1214 |
+
loop_
|
| 1215 |
+
_atom_type.symbol
|
| 1216 |
+
BR
|
| 1217 |
+
C
|
| 1218 |
+
N
|
| 1219 |
+
O
|
| 1220 |
+
P
|
| 1221 |
+
#
|
| 1222 |
+
loop_
|
| 1223 |
+
_atom_site.group_PDB
|
| 1224 |
+
_atom_site.id
|
| 1225 |
+
_atom_site.type_symbol
|
| 1226 |
+
_atom_site.label_atom_id
|
| 1227 |
+
_atom_site.label_alt_id
|
| 1228 |
+
_atom_site.label_comp_id
|
| 1229 |
+
_atom_site.label_asym_id
|
| 1230 |
+
_atom_site.label_entity_id
|
| 1231 |
+
_atom_site.label_seq_id
|
| 1232 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1233 |
+
_atom_site.Cartn_x
|
| 1234 |
+
_atom_site.Cartn_y
|
| 1235 |
+
_atom_site.Cartn_z
|
| 1236 |
+
_atom_site.occupancy
|
| 1237 |
+
_atom_site.B_iso_or_equiv
|
| 1238 |
+
_atom_site.pdbx_formal_charge
|
| 1239 |
+
_atom_site.auth_seq_id
|
| 1240 |
+
_atom_site.auth_comp_id
|
| 1241 |
+
_atom_site.auth_asym_id
|
| 1242 |
+
_atom_site.auth_atom_id
|
| 1243 |
+
_atom_site.pdbx_PDB_model_num
|
| 1244 |
+
ATOM 1 O "O5'" . C A 1 1 ? 17.964 4.929 6.945 1.00 43.57 ? 1 C S "O5'" 1
|
| 1245 |
+
ATOM 2 C "C5'" . C A 1 1 ? 18.757 6.110 6.834 1.00 41.74 ? 1 C S "C5'" 1
|
| 1246 |
+
ATOM 3 C "C4'" . C A 1 1 ? 18.088 7.148 5.967 1.00 41.97 ? 1 C S "C4'" 1
|
| 1247 |
+
ATOM 4 O "O4'" . C A 1 1 ? 18.173 6.774 4.562 1.00 41.64 ? 1 C S "O4'" 1
|
| 1248 |
+
ATOM 5 C "C3'" . C A 1 1 ? 16.600 7.337 6.196 1.00 40.51 ? 1 C S "C3'" 1
|
| 1249 |
+
ATOM 6 O "O3'" . C A 1 1 ? 16.367 8.194 7.298 1.00 40.52 ? 1 C S "O3'" 1
|
| 1250 |
+
ATOM 7 C "C2'" . C A 1 1 ? 16.189 8.015 4.905 1.00 40.87 ? 1 C S "C2'" 1
|
| 1251 |
+
ATOM 8 O "O2'" . C A 1 1 ? 16.605 9.359 4.909 1.00 40.72 ? 1 C S "O2'" 1
|
| 1252 |
+
ATOM 9 C "C1'" . C A 1 1 ? 17.021 7.244 3.881 1.00 40.75 ? 1 C S "C1'" 1
|
| 1253 |
+
ATOM 10 N N1 . C A 1 1 ? 16.303 6.086 3.327 1.00 42.35 ? 1 C S N1 1
|
| 1254 |
+
ATOM 11 C C2 . C A 1 1 ? 15.280 6.301 2.375 1.00 41.65 ? 1 C S C2 1
|
| 1255 |
+
ATOM 12 O O2 . C A 1 1 ? 14.969 7.458 2.074 1.00 40.60 ? 1 C S O2 1
|
| 1256 |
+
ATOM 13 N N3 . C A 1 1 ? 14.648 5.233 1.829 1.00 41.17 ? 1 C S N3 1
|
| 1257 |
+
ATOM 14 C C4 . C A 1 1 ? 14.974 3.995 2.217 1.00 41.61 ? 1 C S C4 1
|
| 1258 |
+
ATOM 15 N N4 . C A 1 1 ? 14.328 2.974 1.654 1.00 39.02 ? 1 C S N4 1
|
| 1259 |
+
ATOM 16 C C5 . C A 1 1 ? 15.983 3.750 3.203 1.00 41.77 ? 1 C S C5 1
|
| 1260 |
+
ATOM 17 C C6 . C A 1 1 ? 16.620 4.814 3.721 1.00 42.88 ? 1 C S C6 1
|
| 1261 |
+
ATOM 18 P P . C A 1 2 ? 15.012 8.046 8.148 1.00 42.48 ? 2 C S P 1
|
| 1262 |
+
ATOM 19 O OP1 . C A 1 2 ? 15.166 8.844 9.386 1.00 41.56 ? 2 C S OP1 1
|
| 1263 |
+
ATOM 20 O OP2 . C A 1 2 ? 14.687 6.595 8.249 1.00 41.73 ? 2 C S OP2 1
|
| 1264 |
+
ATOM 21 O "O5'" . C A 1 2 ? 13.916 8.761 7.234 1.00 43.11 ? 2 C S "O5'" 1
|
| 1265 |
+
ATOM 22 C "C5'" . C A 1 2 ? 14.004 10.146 6.911 1.00 41.06 ? 2 C S "C5'" 1
|
| 1266 |
+
ATOM 23 C "C4'" . C A 1 2 ? 12.999 10.498 5.835 1.00 41.54 ? 2 C S "C4'" 1
|
| 1267 |
+
ATOM 24 O "O4'" . C A 1 2 ? 13.267 9.688 4.661 1.00 42.96 ? 2 C S "O4'" 1
|
| 1268 |
+
ATOM 25 C "C3'" . C A 1 2 ? 11.542 10.171 6.125 1.00 41.55 ? 2 C S "C3'" 1
|
| 1269 |
+
ATOM 26 O "O3'" . C A 1 2 ? 10.907 11.150 6.907 1.00 40.14 ? 2 C S "O3'" 1
|
| 1270 |
+
ATOM 27 C "C2'" . C A 1 2 ? 10.939 10.138 4.733 1.00 40.77 ? 2 C S "C2'" 1
|
| 1271 |
+
ATOM 28 O "O2'" . C A 1 2 ? 10.730 11.425 4.205 1.00 37.52 ? 2 C S "O2'" 1
|
| 1272 |
+
ATOM 29 C "C1'" . C A 1 2 ? 12.053 9.448 3.960 1.00 41.06 ? 2 C S "C1'" 1
|
| 1273 |
+
ATOM 30 N N1 . C A 1 2 ? 11.848 8.001 3.858 1.00 41.79 ? 2 C S N1 1
|
| 1274 |
+
ATOM 31 C C2 . C A 1 2 ? 10.867 7.523 2.970 1.00 42.27 ? 2 C S C2 1
|
| 1275 |
+
ATOM 32 O O2 . C A 1 2 ? 10.168 8.343 2.350 1.00 41.95 ? 2 C S O2 1
|
| 1276 |
+
ATOM 33 N N3 . C A 1 2 ? 10.713 6.184 2.811 1.00 40.54 ? 2 C S N3 1
|
| 1277 |
+
ATOM 34 C C4 . C A 1 2 ? 11.493 5.341 3.497 1.00 39.31 ? 2 C S C4 1
|
| 1278 |
+
ATOM 35 N N4 . C A 1 2 ? 11.349 4.047 3.273 1.00 39.69 ? 2 C S N4 1
|
| 1279 |
+
ATOM 36 C C5 . C A 1 2 ? 12.467 5.799 4.436 1.00 39.21 ? 2 C S C5 1
|
| 1280 |
+
ATOM 37 C C6 . C A 1 2 ? 12.608 7.126 4.585 1.00 40.79 ? 2 C S C6 1
|
| 1281 |
+
ATOM 38 P P . A A 1 3 ? 9.915 10.685 8.071 1.00 44.95 ? 3 A S P 1
|
| 1282 |
+
ATOM 39 O OP1 . A A 1 3 ? 9.890 11.785 9.081 1.00 41.71 ? 3 A S OP1 1
|
| 1283 |
+
ATOM 40 O OP2 . A A 1 3 ? 10.290 9.306 8.477 1.00 44.40 ? 3 A S OP2 1
|
| 1284 |
+
ATOM 41 O "O5'" . A A 1 3 ? 8.501 10.590 7.357 1.00 45.01 ? 3 A S "O5'" 1
|
| 1285 |
+
ATOM 42 C "C5'" . A A 1 3 ? 7.991 11.697 6.635 1.00 42.55 ? 3 A S "C5'" 1
|
| 1286 |
+
ATOM 43 C "C4'" . A A 1 3 ? 6.919 11.238 5.703 1.00 40.24 ? 3 A S "C4'" 1
|
| 1287 |
+
ATOM 44 O "O4'" . A A 1 3 ? 7.498 10.337 4.731 1.00 40.15 ? 3 A S "O4'" 1
|
| 1288 |
+
ATOM 45 C "C3'" . A A 1 3 ? 5.825 10.403 6.339 1.00 40.73 ? 3 A S "C3'" 1
|
| 1289 |
+
ATOM 46 O "O3'" . A A 1 3 ? 4.896 11.255 6.988 1.00 41.28 ? 3 A S "O3'" 1
|
| 1290 |
+
ATOM 47 C "C2'" . A A 1 3 ? 5.247 9.713 5.107 1.00 41.28 ? 3 A S "C2'" 1
|
| 1291 |
+
ATOM 48 O "O2'" . A A 1 3 ? 4.487 10.582 4.285 1.00 40.55 ? 3 A S "O2'" 1
|
| 1292 |
+
ATOM 49 C "C1'" . A A 1 3 ? 6.528 9.371 4.341 1.00 40.54 ? 3 A S "C1'" 1
|
| 1293 |
+
ATOM 50 N N9 . A A 1 3 ? 7.067 8.030 4.611 1.00 39.42 ? 3 A S N9 1
|
| 1294 |
+
ATOM 51 C C8 . A A 1 3 ? 8.128 7.710 5.421 1.00 38.15 ? 3 A S C8 1
|
| 1295 |
+
ATOM 52 N N7 . A A 1 3 ? 8.409 6.431 5.447 1.00 37.80 ? 3 A S N7 1
|
| 1296 |
+
ATOM 53 C C5 . A A 1 3 ? 7.470 5.864 4.601 1.00 37.47 ? 3 A S C5 1
|
| 1297 |
+
ATOM 54 C C6 . A A 1 3 ? 7.243 4.533 4.195 1.00 37.21 ? 3 A S C6 1
|
| 1298 |
+
ATOM 55 N N6 . A A 1 3 ? 7.989 3.502 4.600 1.00 35.31 ? 3 A S N6 1
|
| 1299 |
+
ATOM 56 N N1 . A A 1 3 ? 6.217 4.300 3.343 1.00 36.30 ? 3 A S N1 1
|
| 1300 |
+
ATOM 57 C C2 . A A 1 3 ? 5.487 5.347 2.925 1.00 34.68 ? 3 A S C2 1
|
| 1301 |
+
ATOM 58 N N3 . A A 1 3 ? 5.608 6.641 3.231 1.00 34.30 ? 3 A S N3 1
|
| 1302 |
+
ATOM 59 C C4 . A A 1 3 ? 6.627 6.835 4.084 1.00 37.52 ? 3 A S C4 1
|
| 1303 |
+
ATOM 60 P P . U A 1 4 ? 4.264 10.830 8.401 1.00 45.68 ? 4 U S P 1
|
| 1304 |
+
ATOM 61 O OP1 . U A 1 4 ? 3.544 12.049 8.878 1.00 43.90 ? 4 U S OP1 1
|
| 1305 |
+
ATOM 62 O OP2 . U A 1 4 ? 5.276 10.189 9.281 1.00 45.84 ? 4 U S OP2 1
|
| 1306 |
+
ATOM 63 O "O5'" . U A 1 4 ? 3.182 9.731 8.004 1.00 45.38 ? 4 U S "O5'" 1
|
| 1307 |
+
ATOM 64 C "C5'" . U A 1 4 ? 2.151 10.048 7.073 1.00 45.89 ? 4 U S "C5'" 1
|
| 1308 |
+
ATOM 65 C "C4'" . U A 1 4 ? 1.533 8.792 6.530 1.00 46.11 ? 4 U S "C4'" 1
|
| 1309 |
+
ATOM 66 O "O4'" . U A 1 4 ? 2.489 8.078 5.705 1.00 47.81 ? 4 U S "O4'" 1
|
| 1310 |
+
ATOM 67 C "C3'" . U A 1 4 ? 1.141 7.771 7.578 1.00 47.26 ? 4 U S "C3'" 1
|
| 1311 |
+
ATOM 68 O "O3'" . U A 1 4 ? -0.081 8.138 8.199 1.00 46.65 ? 4 U S "O3'" 1
|
| 1312 |
+
ATOM 69 C "C2'" . U A 1 4 ? 1.066 6.487 6.757 1.00 46.68 ? 4 U S "C2'" 1
|
| 1313 |
+
ATOM 70 O "O2'" . U A 1 4 ? -0.126 6.361 6.012 1.00 45.85 ? 4 U S "O2'" 1
|
| 1314 |
+
ATOM 71 C "C1'" . U A 1 4 ? 2.239 6.682 5.794 1.00 47.99 ? 4 U S "C1'" 1
|
| 1315 |
+
ATOM 72 N N1 . U A 1 4 ? 3.465 6.001 6.241 1.00 49.57 ? 4 U S N1 1
|
| 1316 |
+
ATOM 73 C C2 . U A 1 4 ? 3.615 4.670 5.874 1.00 48.42 ? 4 U S C2 1
|
| 1317 |
+
ATOM 74 O O2 . U A 1 4 ? 2.797 4.077 5.202 1.00 42.55 ? 4 U S O2 1
|
| 1318 |
+
ATOM 75 N N3 . U A 1 4 ? 4.763 4.066 6.328 1.00 48.30 ? 4 U S N3 1
|
| 1319 |
+
ATOM 76 C C4 . U A 1 4 ? 5.753 4.641 7.090 1.00 51.02 ? 4 U S C4 1
|
| 1320 |
+
ATOM 77 O O4 . U A 1 4 ? 6.731 3.977 7.405 1.00 46.07 ? 4 U S O4 1
|
| 1321 |
+
ATOM 78 C C5 . U A 1 4 ? 5.536 6.015 7.426 1.00 53.76 ? 4 U S C5 1
|
| 1322 |
+
ATOM 79 C C6 . U A 1 4 ? 4.426 6.639 6.999 1.00 51.08 ? 4 U S C6 1
|
| 1323 |
+
ATOM 80 P P . G A 1 5 ? -0.641 7.268 9.421 1.00 48.32 ? 5 G S P 1
|
| 1324 |
+
ATOM 81 O OP1 . G A 1 5 ? -2.014 7.774 9.687 1.00 47.14 ? 5 G S OP1 1
|
| 1325 |
+
ATOM 82 O OP2 . G A 1 5 ? 0.343 7.194 10.532 1.00 51.58 ? 5 G S OP2 1
|
| 1326 |
+
ATOM 83 O "O5'" . G A 1 5 ? -0.745 5.810 8.801 1.00 46.91 ? 5 G S "O5'" 1
|
| 1327 |
+
ATOM 84 C "C5'" . G A 1 5 ? -1.230 4.737 9.569 1.00 42.80 ? 5 G S "C5'" 1
|
| 1328 |
+
ATOM 85 C "C4'" . G A 1 5 ? -1.751 3.659 8.669 1.00 40.64 ? 5 G S "C4'" 1
|
| 1329 |
+
ATOM 86 O "O4'" . G A 1 5 ? -0.823 3.441 7.574 1.00 42.09 ? 5 G S "O4'" 1
|
| 1330 |
+
ATOM 87 C "C3'" . G A 1 5 ? -1.818 2.327 9.374 1.00 40.27 ? 5 G S "C3'" 1
|
| 1331 |
+
ATOM 88 O "O3'" . G A 1 5 ? -3.018 2.237 10.100 1.00 38.77 ? 5 G S "O3'" 1
|
| 1332 |
+
ATOM 89 C "C2'" . G A 1 5 ? -1.703 1.347 8.223 1.00 41.09 ? 5 G S "C2'" 1
|
| 1333 |
+
ATOM 90 O "O2'" . G A 1 5 ? -2.922 1.193 7.523 1.00 41.81 ? 5 G S "O2'" 1
|
| 1334 |
+
ATOM 91 C "C1'" . G A 1 5 ? -0.650 2.050 7.361 1.00 40.01 ? 5 G S "C1'" 1
|
| 1335 |
+
ATOM 92 N N9 . G A 1 5 ? 0.716 1.729 7.757 1.00 39.58 ? 5 G S N9 1
|
| 1336 |
+
ATOM 93 C C8 . G A 1 5 ? 1.655 2.608 8.232 1.00 38.96 ? 5 G S C8 1
|
| 1337 |
+
ATOM 94 N N7 . G A 1 5 ? 2.804 2.043 8.494 1.00 38.42 ? 5 G S N7 1
|
| 1338 |
+
ATOM 95 C C5 . G A 1 5 ? 2.611 0.706 8.175 1.00 39.31 ? 5 G S C5 1
|
| 1339 |
+
ATOM 96 C C6 . G A 1 5 ? 3.502 -0.393 8.242 1.00 38.23 ? 5 G S C6 1
|
| 1340 |
+
ATOM 97 O O6 . G A 1 5 ? 4.672 -0.410 8.612 1.00 38.03 ? 5 G S O6 1
|
| 1341 |
+
ATOM 98 N N1 . G A 1 5 ? 2.898 -1.566 7.822 1.00 38.20 ? 5 G S N1 1
|
| 1342 |
+
ATOM 99 C C2 . G A 1 5 ? 1.601 -1.677 7.407 1.00 39.40 ? 5 G S C2 1
|
| 1343 |
+
ATOM 100 N N2 . G A 1 5 ? 1.199 -2.907 7.065 1.00 42.81 ? 5 G S N2 1
|
| 1344 |
+
ATOM 101 N N3 . G A 1 5 ? 0.757 -0.665 7.337 1.00 39.41 ? 5 G S N3 1
|
| 1345 |
+
ATOM 102 C C4 . G A 1 5 ? 1.325 0.491 7.728 1.00 40.18 ? 5 G S C4 1
|
| 1346 |
+
ATOM 103 P P . C A 1 6 ? -2.967 1.769 11.623 1.00 38.42 ? 6 C S P 1
|
| 1347 |
+
ATOM 104 O OP1 . C A 1 6 ? -4.321 1.921 12.194 1.00 38.72 ? 6 C S OP1 1
|
| 1348 |
+
ATOM 105 O OP2 . C A 1 6 ? -1.817 2.436 12.273 1.00 37.47 ? 6 C S OP2 1
|
| 1349 |
+
ATOM 106 O "O5'" . C A 1 6 ? -2.652 0.216 11.495 1.00 40.95 ? 6 C S "O5'" 1
|
| 1350 |
+
ATOM 107 C "C5'" . C A 1 6 ? -3.444 -0.613 10.655 1.00 40.24 ? 6 C S "C5'" 1
|
| 1351 |
+
ATOM 108 C "C4'" . C A 1 6 ? -2.775 -1.949 10.460 1.00 43.40 ? 6 C S "C4'" 1
|
| 1352 |
+
ATOM 109 O "O4'" . C A 1 6 ? -1.552 -1.794 9.688 1.00 43.13 ? 6 C S "O4'" 1
|
| 1353 |
+
ATOM 110 C "C3'" . C A 1 6 ? -2.317 -2.666 11.720 1.00 43.13 ? 6 C S "C3'" 1
|
| 1354 |
+
ATOM 111 O "O3'" . C A 1 6 ? -3.411 -3.341 12.323 1.00 45.67 ? 6 C S "O3'" 1
|
| 1355 |
+
ATOM 112 C "C2'" . C A 1 6 ? -1.313 -3.650 11.140 1.00 43.07 ? 6 C S "C2'" 1
|
| 1356 |
+
ATOM 113 O "O2'" . C A 1 6 ? -1.961 -4.711 10.468 1.00 41.39 ? 6 C S "O2'" 1
|
| 1357 |
+
ATOM 114 C "C1'" . C A 1 6 ? -0.613 -2.777 10.096 1.00 42.15 ? 6 C S "C1'" 1
|
| 1358 |
+
ATOM 115 N N1 . C A 1 6 ? 0.571 -2.087 10.625 1.00 41.93 ? 6 C S N1 1
|
| 1359 |
+
ATOM 116 C C2 . C A 1 6 ? 1.764 -2.796 10.737 1.00 40.82 ? 6 C S C2 1
|
| 1360 |
+
ATOM 117 O O2 . C A 1 6 ? 1.778 -3.989 10.409 1.00 43.09 ? 6 C S O2 1
|
| 1361 |
+
ATOM 118 N N3 . C A 1 6 ? 2.869 -2.166 11.195 1.00 39.54 ? 6 C S N3 1
|
| 1362 |
+
ATOM 119 C C4 . C A 1 6 ? 2.806 -0.877 11.538 1.00 39.87 ? 6 C S C4 1
|
| 1363 |
+
ATOM 120 N N4 . C A 1 6 ? 3.919 -0.291 11.979 1.00 37.84 ? 6 C S N4 1
|
| 1364 |
+
ATOM 121 C C5 . C A 1 6 ? 1.596 -0.130 11.444 1.00 40.15 ? 6 C S C5 1
|
| 1365 |
+
ATOM 122 C C6 . C A 1 6 ? 0.512 -0.770 10.990 1.00 41.48 ? 6 C S C6 1
|
| 1366 |
+
ATOM 123 P P . G A 1 7 ? -3.539 -3.389 13.928 1.00 48.42 ? 7 G S P 1
|
| 1367 |
+
ATOM 124 O OP1 . G A 1 7 ? -4.786 -4.149 14.204 1.00 47.81 ? 7 G S OP1 1
|
| 1368 |
+
ATOM 125 O OP2 . G A 1 7 ? -3.390 -2.011 14.472 1.00 47.13 ? 7 G S OP2 1
|
| 1369 |
+
ATOM 126 O "O5'" . G A 1 7 ? -2.276 -4.254 14.388 1.00 48.74 ? 7 G S "O5'" 1
|
| 1370 |
+
ATOM 127 C "C5'" . G A 1 7 ? -2.015 -5.544 13.835 1.00 49.04 ? 7 G S "C5'" 1
|
| 1371 |
+
ATOM 128 C "C4'" . G A 1 7 ? -0.598 -5.972 14.149 1.00 52.39 ? 7 G S "C4'" 1
|
| 1372 |
+
ATOM 129 O "O4'" . G A 1 7 ? 0.348 -5.177 13.377 1.00 51.91 ? 7 G S "O4'" 1
|
| 1373 |
+
ATOM 130 C "C3'" . G A 1 7 ? -0.159 -5.789 15.598 1.00 54.30 ? 7 G S "C3'" 1
|
| 1374 |
+
ATOM 131 O "O3'" . G A 1 7 ? -0.558 -6.889 16.408 1.00 57.99 ? 7 G S "O3'" 1
|
| 1375 |
+
ATOM 132 C "C2'" . G A 1 7 ? 1.357 -5.716 15.463 1.00 53.01 ? 7 G S "C2'" 1
|
| 1376 |
+
ATOM 133 O "O2'" . G A 1 7 ? 1.951 -6.988 15.320 1.00 52.38 ? 7 G S "O2'" 1
|
| 1377 |
+
ATOM 134 C "C1'" . G A 1 7 ? 1.507 -4.918 14.163 1.00 51.91 ? 7 G S "C1'" 1
|
| 1378 |
+
ATOM 135 N N9 . G A 1 7 ? 1.573 -3.484 14.423 1.00 49.61 ? 7 G S N9 1
|
| 1379 |
+
ATOM 136 C C8 . G A 1 7 ? 0.511 -2.612 14.477 1.00 49.83 ? 7 G S C8 1
|
| 1380 |
+
ATOM 137 N N7 . G A 1 7 ? 0.864 -1.390 14.769 1.00 48.88 ? 7 G S N7 1
|
| 1381 |
+
ATOM 138 C C5 . G A 1 7 ? 2.243 -1.455 14.911 1.00 48.44 ? 7 G S C5 1
|
| 1382 |
+
ATOM 139 C C6 . G A 1 7 ? 3.175 -0.444 15.247 1.00 47.98 ? 7 G S C6 1
|
| 1383 |
+
ATOM 140 O O6 . G A 1 7 ? 2.958 0.739 15.509 1.00 50.07 ? 7 G S O6 1
|
| 1384 |
+
ATOM 141 N N1 . G A 1 7 ? 4.474 -0.933 15.277 1.00 46.99 ? 7 G S N1 1
|
| 1385 |
+
ATOM 142 C C2 . G A 1 7 ? 4.834 -2.232 15.031 1.00 47.38 ? 7 G S C2 1
|
| 1386 |
+
ATOM 143 N N2 . G A 1 7 ? 6.149 -2.499 15.100 1.00 45.85 ? 7 G S N2 1
|
| 1387 |
+
ATOM 144 N N3 . G A 1 7 ? 3.969 -3.197 14.735 1.00 47.44 ? 7 G S N3 1
|
| 1388 |
+
ATOM 145 C C4 . G A 1 7 ? 2.700 -2.738 14.689 1.00 48.18 ? 7 G S C4 1
|
| 1389 |
+
ATOM 146 P P . A A 1 8 ? -0.817 -6.677 17.990 1.00 61.97 ? 8 A S P 1
|
| 1390 |
+
ATOM 147 O OP1 . A A 1 8 ? -2.239 -7.033 18.255 1.00 60.30 ? 8 A S OP1 1
|
| 1391 |
+
ATOM 148 O OP2 . A A 1 8 ? -0.303 -5.343 18.420 1.00 59.67 ? 8 A S OP2 1
|
| 1392 |
+
ATOM 149 O "O5'" . A A 1 8 ? 0.090 -7.809 18.655 1.00 63.95 ? 8 A S "O5'" 1
|
| 1393 |
+
ATOM 150 C "C5'" . A A 1 8 ? -0.327 -9.178 18.670 1.00 67.91 ? 8 A S "C5'" 1
|
| 1394 |
+
ATOM 151 C "C4'" . A A 1 8 ? 0.199 -9.898 17.449 1.00 70.87 ? 8 A S "C4'" 1
|
| 1395 |
+
ATOM 152 O "O4'" . A A 1 8 ? 1.382 -9.221 16.975 1.00 72.44 ? 8 A S "O4'" 1
|
| 1396 |
+
ATOM 153 C "C3'" . A A 1 8 ? 0.581 -11.355 17.669 1.00 72.76 ? 8 A S "C3'" 1
|
| 1397 |
+
ATOM 154 O "O3'" . A A 1 8 ? -0.561 -12.223 17.505 1.00 74.56 ? 8 A S "O3'" 1
|
| 1398 |
+
ATOM 155 C "C2'" . A A 1 8 ? 1.790 -11.579 16.759 1.00 73.03 ? 8 A S "C2'" 1
|
| 1399 |
+
ATOM 156 O "O2'" . A A 1 8 ? 1.472 -12.078 15.481 1.00 73.99 ? 8 A S "O2'" 1
|
| 1400 |
+
ATOM 157 C "C1'" . A A 1 8 ? 2.367 -10.163 16.619 1.00 73.17 ? 8 A S "C1'" 1
|
| 1401 |
+
ATOM 158 N N9 . A A 1 8 ? 3.596 -9.804 17.328 1.00 73.97 ? 8 A S N9 1
|
| 1402 |
+
ATOM 159 C C8 . A A 1 8 ? 3.901 -8.534 17.763 1.00 74.19 ? 8 A S C8 1
|
| 1403 |
+
ATOM 160 N N7 . A A 1 8 ? 5.084 -8.426 18.312 1.00 73.90 ? 8 A S N7 1
|
| 1404 |
+
ATOM 161 C C5 . A A 1 8 ? 5.595 -9.714 18.255 1.00 74.59 ? 8 A S C5 1
|
| 1405 |
+
ATOM 162 C C6 . A A 1 8 ? 6.823 -10.255 18.666 1.00 73.78 ? 8 A S C6 1
|
| 1406 |
+
ATOM 163 N N6 . A A 1 8 ? 7.793 -9.529 19.228 1.00 73.41 ? 8 A S N6 1
|
| 1407 |
+
ATOM 164 N N1 . A A 1 8 ? 7.025 -11.578 18.471 1.00 73.72 ? 8 A S N1 1
|
| 1408 |
+
ATOM 165 C C2 . A A 1 8 ? 6.048 -12.299 17.894 1.00 74.89 ? 8 A S C2 1
|
| 1409 |
+
ATOM 166 N N3 . A A 1 8 ? 4.847 -11.903 17.456 1.00 75.37 ? 8 A S N3 1
|
| 1410 |
+
ATOM 167 C C4 . A A 1 8 ? 4.681 -10.582 17.666 1.00 75.28 ? 8 A S C4 1
|
| 1411 |
+
ATOM 168 P P . A A 1 9 ? -0.996 -12.774 16.040 1.00 74.93 ? 9 A S P 1
|
| 1412 |
+
ATOM 169 O OP1 . A A 1 9 ? -2.398 -13.248 16.162 1.00 74.74 ? 9 A S OP1 1
|
| 1413 |
+
ATOM 170 O OP2 . A A 1 9 ? 0.025 -13.676 15.452 1.00 74.99 ? 9 A S OP2 1
|
| 1414 |
+
ATOM 171 O "O5'" . A A 1 9 ? -1.057 -11.473 15.134 1.00 75.02 ? 9 A S "O5'" 1
|
| 1415 |
+
ATOM 172 C "C5'" . A A 1 9 ? -1.069 -11.590 13.727 1.00 71.97 ? 9 A S "C5'" 1
|
| 1416 |
+
ATOM 173 C "C4'" . A A 1 9 ? -0.750 -10.265 13.095 1.00 69.92 ? 9 A S "C4'" 1
|
| 1417 |
+
ATOM 174 O "O4'" . A A 1 9 ? 0.398 -9.658 13.743 1.00 68.48 ? 9 A S "O4'" 1
|
| 1418 |
+
ATOM 175 C "C3'" . A A 1 9 ? -0.358 -10.409 11.642 1.00 69.01 ? 9 A S "C3'" 1
|
| 1419 |
+
ATOM 176 O "O3'" . A A 1 9 ? -1.536 -10.405 10.858 1.00 69.36 ? 9 A S "O3'" 1
|
| 1420 |
+
ATOM 177 C "C2'" . A A 1 9 ? 0.533 -9.197 11.422 1.00 68.22 ? 9 A S "C2'" 1
|
| 1421 |
+
ATOM 178 O "O2'" . A A 1 9 ? -0.208 -8.014 11.217 1.00 67.64 ? 9 A S "O2'" 1
|
| 1422 |
+
ATOM 179 C "C1'" . A A 1 9 ? 1.275 -9.132 12.762 1.00 67.68 ? 9 A S "C1'" 1
|
| 1423 |
+
ATOM 180 N N9 . A A 1 9 ? 2.492 -9.942 12.786 1.00 65.45 ? 9 A S N9 1
|
| 1424 |
+
ATOM 181 C C8 . A A 1 9 ? 2.691 -11.089 13.502 1.00 64.05 ? 9 A S C8 1
|
| 1425 |
+
ATOM 182 N N7 . A A 1 9 ? 3.875 -11.620 13.341 1.00 64.44 ? 9 A S N7 1
|
| 1426 |
+
ATOM 183 C C5 . A A 1 9 ? 4.503 -10.764 12.452 1.00 64.94 ? 9 A S C5 1
|
| 1427 |
+
ATOM 184 C C6 . A A 1 9 ? 5.782 -10.780 11.871 1.00 64.78 ? 9 A S C6 1
|
| 1428 |
+
ATOM 185 N N6 . A A 1 9 ? 6.688 -11.728 12.106 1.00 63.81 ? 9 A S N6 1
|
| 1429 |
+
ATOM 186 N N1 . A A 1 9 ? 6.098 -9.779 11.024 1.00 64.75 ? 9 A S N1 1
|
| 1430 |
+
ATOM 187 C C2 . A A 1 9 ? 5.180 -8.834 10.780 1.00 65.30 ? 9 A S C2 1
|
| 1431 |
+
ATOM 188 N N3 . A A 1 9 ? 3.942 -8.713 11.260 1.00 65.06 ? 9 A S N3 1
|
| 1432 |
+
ATOM 189 C C4 . A A 1 9 ? 3.663 -9.722 12.103 1.00 65.34 ? 9 A S C4 1
|
| 1433 |
+
ATOM 190 P P . C A 1 10 ? -1.805 -11.605 9.833 1.00 69.40 ? 10 C S P 1
|
| 1434 |
+
ATOM 191 O OP1 . C A 1 10 ? -3.212 -11.467 9.376 1.00 70.19 ? 10 C S OP1 1
|
| 1435 |
+
ATOM 192 O OP2 . C A 1 10 ? -1.363 -12.873 10.463 1.00 70.69 ? 10 C S OP2 1
|
| 1436 |
+
ATOM 193 O "O5'" . C A 1 10 ? -0.839 -11.248 8.622 1.00 66.86 ? 10 C S "O5'" 1
|
| 1437 |
+
ATOM 194 C "C5'" . C A 1 10 ? -0.944 -9.982 7.989 1.00 65.88 ? 10 C S "C5'" 1
|
| 1438 |
+
ATOM 195 C "C4'" . C A 1 10 ? 0.336 -9.643 7.283 1.00 65.03 ? 10 C S "C4'" 1
|
| 1439 |
+
ATOM 196 O "O4'" . C A 1 10 ? 1.408 -9.515 8.247 1.00 64.37 ? 10 C S "O4'" 1
|
| 1440 |
+
ATOM 197 C "C3'" . C A 1 10 ? 0.832 -10.707 6.326 1.00 65.81 ? 10 C S "C3'" 1
|
| 1441 |
+
ATOM 198 O "O3'" . C A 1 10 ? 0.158 -10.599 5.077 1.00 67.46 ? 10 C S "O3'" 1
|
| 1442 |
+
ATOM 199 C "C2'" . C A 1 10 ? 2.314 -10.373 6.220 1.00 64.64 ? 10 C S "C2'" 1
|
| 1443 |
+
ATOM 200 O "O2'" . C A 1 10 ? 2.574 -9.333 5.308 1.00 61.21 ? 10 C S "O2'" 1
|
| 1444 |
+
ATOM 201 C "C1'" . C A 1 10 ? 2.629 -9.923 7.652 1.00 65.18 ? 10 C S "C1'" 1
|
| 1445 |
+
ATOM 202 N N1 . C A 1 10 ? 3.187 -11.017 8.459 1.00 65.96 ? 10 C S N1 1
|
| 1446 |
+
ATOM 203 C C2 . C A 1 10 ? 4.551 -11.304 8.354 1.00 65.10 ? 10 C S C2 1
|
| 1447 |
+
ATOM 204 O O2 . C A 1 10 ? 5.255 -10.599 7.612 1.00 63.64 ? 10 C S O2 1
|
| 1448 |
+
ATOM 205 N N3 . C A 1 10 ? 5.065 -12.340 9.061 1.00 65.50 ? 10 C S N3 1
|
| 1449 |
+
ATOM 206 C C4 . C A 1 10 ? 4.269 -13.070 9.848 1.00 65.36 ? 10 C S C4 1
|
| 1450 |
+
ATOM 207 N N4 . C A 1 10 ? 4.807 -14.099 10.506 1.00 65.25 ? 10 C S N4 1
|
| 1451 |
+
ATOM 208 C C5 . C A 1 10 ? 2.881 -12.783 9.990 1.00 66.01 ? 10 C S C5 1
|
| 1452 |
+
ATOM 209 C C6 . C A 1 10 ? 2.386 -11.756 9.286 1.00 66.14 ? 10 C S C6 1
|
| 1453 |
+
ATOM 210 P P . C A 1 11 ? -0.203 -11.928 4.256 1.00 67.05 ? 11 C S P 1
|
| 1454 |
+
ATOM 211 O OP1 . C A 1 11 ? -0.889 -11.516 3.002 1.00 68.42 ? 11 C S OP1 1
|
| 1455 |
+
ATOM 212 O OP2 . C A 1 11 ? -0.866 -12.885 5.184 1.00 66.23 ? 11 C S OP2 1
|
| 1456 |
+
ATOM 213 O "O5'" . C A 1 11 ? 1.224 -12.495 3.847 1.00 65.57 ? 11 C S "O5'" 1
|
| 1457 |
+
ATOM 214 C "C5'" . C A 1 11 ? 2.015 -11.815 2.889 1.00 63.08 ? 11 C S "C5'" 1
|
| 1458 |
+
ATOM 215 C "C4'" . C A 1 11 ? 3.238 -12.623 2.568 1.00 62.93 ? 11 C S "C4'" 1
|
| 1459 |
+
ATOM 216 O "O4'" . C A 1 11 ? 4.203 -12.527 3.658 1.00 62.17 ? 11 C S "O4'" 1
|
| 1460 |
+
ATOM 217 C "C3'" . C A 1 11 ? 3.021 -14.121 2.438 1.00 63.52 ? 11 C S "C3'" 1
|
| 1461 |
+
ATOM 218 O "O3'" . C A 1 11 ? 2.236 -14.513 1.303 1.00 64.99 ? 11 C S "O3'" 1
|
| 1462 |
+
ATOM 219 C "C2'" . C A 1 11 ? 4.439 -14.642 2.634 1.00 60.76 ? 11 C S "C2'" 1
|
| 1463 |
+
ATOM 220 O "O2'" . C A 1 11 ? 5.315 -14.386 1.556 1.00 57.36 ? 11 C S "O2'" 1
|
| 1464 |
+
ATOM 221 C "C1'" . C A 1 11 ? 4.864 -13.782 3.826 1.00 61.02 ? 11 C S "C1'" 1
|
| 1465 |
+
ATOM 222 N N1 . C A 1 11 ? 4.392 -14.382 5.090 1.00 60.34 ? 11 C S N1 1
|
| 1466 |
+
ATOM 223 C C2 . C A 1 11 ? 5.101 -15.462 5.632 1.00 59.14 ? 11 C S C2 1
|
| 1467 |
+
ATOM 224 O O2 . C A 1 11 ? 6.137 -15.838 5.072 1.00 59.54 ? 11 C S O2 1
|
| 1468 |
+
ATOM 225 N N3 . C A 1 11 ? 4.639 -16.065 6.752 1.00 58.43 ? 11 C S N3 1
|
| 1469 |
+
ATOM 226 C C4 . C A 1 11 ? 3.521 -15.621 7.337 1.00 58.13 ? 11 C S C4 1
|
| 1470 |
+
ATOM 227 N N4 . C A 1 11 ? 3.086 -16.265 8.428 1.00 54.95 ? 11 C S N4 1
|
| 1471 |
+
ATOM 228 C C5 . C A 1 11 ? 2.795 -14.501 6.824 1.00 58.60 ? 11 C S C5 1
|
| 1472 |
+
ATOM 229 C C6 . C A 1 11 ? 3.264 -13.915 5.712 1.00 59.08 ? 11 C S C6 1
|
| 1473 |
+
ATOM 230 P P . G A 1 12 ? 2.880 -14.563 -0.165 1.00 68.36 ? 12 G S P 1
|
| 1474 |
+
ATOM 231 O OP1 . G A 1 12 ? 3.744 -13.356 -0.351 1.00 68.05 ? 12 G S OP1 1
|
| 1475 |
+
ATOM 232 O OP2 . G A 1 12 ? 1.751 -14.816 -1.110 1.00 69.64 ? 12 G S OP2 1
|
| 1476 |
+
ATOM 233 O "O5'" . G A 1 12 ? 3.811 -15.852 -0.162 1.00 66.40 ? 12 G S "O5'" 1
|
| 1477 |
+
ATOM 234 C "C5'" . G A 1 12 ? 3.262 -17.139 -0.392 1.00 63.02 ? 12 G S "C5'" 1
|
| 1478 |
+
ATOM 235 C "C4'" . G A 1 12 ? 4.150 -18.190 0.213 1.00 60.92 ? 12 G S "C4'" 1
|
| 1479 |
+
ATOM 236 O "O4'" . G A 1 12 ? 4.649 -17.718 1.495 1.00 57.88 ? 12 G S "O4'" 1
|
| 1480 |
+
ATOM 237 C "C3'" . G A 1 12 ? 3.428 -19.497 0.497 1.00 59.92 ? 12 G S "C3'" 1
|
| 1481 |
+
ATOM 238 O "O3'" . G A 1 12 ? 3.354 -20.338 -0.662 1.00 59.11 ? 12 G S "O3'" 1
|
| 1482 |
+
ATOM 239 C "C2'" . G A 1 12 ? 4.176 -20.028 1.712 1.00 58.51 ? 12 G S "C2'" 1
|
| 1483 |
+
ATOM 240 O "O2'" . G A 1 12 ? 5.374 -20.702 1.364 1.00 57.54 ? 12 G S "O2'" 1
|
| 1484 |
+
ATOM 241 C "C1'" . G A 1 12 ? 4.476 -18.724 2.469 1.00 57.31 ? 12 G S "C1'" 1
|
| 1485 |
+
ATOM 242 N N9 . G A 1 12 ? 3.400 -18.282 3.350 1.00 55.85 ? 12 G S N9 1
|
| 1486 |
+
ATOM 243 C C8 . G A 1 12 ? 2.469 -17.308 3.086 1.00 54.84 ? 12 G S C8 1
|
| 1487 |
+
ATOM 244 N N7 . G A 1 12 ? 1.628 -17.123 4.066 1.00 54.60 ? 12 G S N7 1
|
| 1488 |
+
ATOM 245 C C5 . G A 1 12 ? 2.022 -18.035 5.033 1.00 53.89 ? 12 G S C5 1
|
| 1489 |
+
ATOM 246 C C6 . G A 1 12 ? 1.481 -18.303 6.313 1.00 53.81 ? 12 G S C6 1
|
| 1490 |
+
ATOM 247 O O6 . G A 1 12 ? 0.510 -17.771 6.868 1.00 53.90 ? 12 G S O6 1
|
| 1491 |
+
ATOM 248 N N1 . G A 1 12 ? 2.190 -19.308 6.966 1.00 53.95 ? 12 G S N1 1
|
| 1492 |
+
ATOM 249 C C2 . G A 1 12 ? 3.283 -19.970 6.450 1.00 54.00 ? 12 G S C2 1
|
| 1493 |
+
ATOM 250 N N2 . G A 1 12 ? 3.841 -20.918 7.226 1.00 53.26 ? 12 G S N2 1
|
| 1494 |
+
ATOM 251 N N3 . G A 1 12 ? 3.795 -19.723 5.259 1.00 53.90 ? 12 G S N3 1
|
| 1495 |
+
ATOM 252 C C4 . G A 1 12 ? 3.118 -18.754 4.609 1.00 54.83 ? 12 G S C4 1
|
| 1496 |
+
ATOM 253 O "O5'" . C B 2 1 ? -12.455 -10.339 28.621 1.00 94.58 ? 1 C L "O5'" 1
|
| 1497 |
+
ATOM 254 C "C5'" . C B 2 1 ? -13.863 -10.442 28.375 1.00 93.97 ? 1 C L "C5'" 1
|
| 1498 |
+
ATOM 255 C "C4'" . C B 2 1 ? -14.487 -9.140 27.923 1.00 93.75 ? 1 C L "C4'" 1
|
| 1499 |
+
ATOM 256 O "O4'" . C B 2 1 ? -14.282 -8.121 28.937 1.00 93.14 ? 1 C L "O4'" 1
|
| 1500 |
+
ATOM 257 C "C3'" . C B 2 1 ? -13.893 -8.539 26.660 1.00 93.89 ? 1 C L "C3'" 1
|
| 1501 |
+
ATOM 258 O "O3'" . C B 2 1 ? -14.490 -9.115 25.504 1.00 94.18 ? 1 C L "O3'" 1
|
| 1502 |
+
ATOM 259 C "C2'" . C B 2 1 ? -14.232 -7.058 26.803 1.00 93.64 ? 1 C L "C2'" 1
|
| 1503 |
+
ATOM 260 O "O2'" . C B 2 1 ? -15.542 -6.733 26.380 1.00 93.41 ? 1 C L "O2'" 1
|
| 1504 |
+
ATOM 261 C "C1'" . C B 2 1 ? -14.104 -6.858 28.316 1.00 92.61 ? 1 C L "C1'" 1
|
| 1505 |
+
ATOM 262 N N1 . C B 2 1 ? -12.802 -6.315 28.739 1.00 91.41 ? 1 C L N1 1
|
| 1506 |
+
ATOM 263 C C2 . C B 2 1 ? -12.612 -4.926 28.724 1.00 90.36 ? 1 C L C2 1
|
| 1507 |
+
ATOM 264 O O2 . C B 2 1 ? -13.534 -4.198 28.328 1.00 89.00 ? 1 C L O2 1
|
| 1508 |
+
ATOM 265 N N3 . C B 2 1 ? -11.427 -4.415 29.143 1.00 90.02 ? 1 C L N3 1
|
| 1509 |
+
ATOM 266 C C4 . C B 2 1 ? -10.456 -5.235 29.559 1.00 90.16 ? 1 C L C4 1
|
| 1510 |
+
ATOM 267 N N4 . C B 2 1 ? -9.312 -4.687 29.981 1.00 89.62 ? 1 C L N4 1
|
| 1511 |
+
ATOM 268 C C5 . C B 2 1 ? -10.617 -6.654 29.567 1.00 90.56 ? 1 C L C5 1
|
| 1512 |
+
ATOM 269 C C6 . C B 2 1 ? -11.796 -7.146 29.151 1.00 90.91 ? 1 C L C6 1
|
| 1513 |
+
ATOM 270 P P . G B 2 2 ? -13.710 -9.071 24.100 1.00 94.31 ? 2 G L P 1
|
| 1514 |
+
ATOM 271 O OP1 . G B 2 2 ? -14.194 -10.216 23.286 1.00 94.99 ? 2 G L OP1 1
|
| 1515 |
+
ATOM 272 O OP2 . G B 2 2 ? -12.253 -8.914 24.354 1.00 94.04 ? 2 G L OP2 1
|
| 1516 |
+
ATOM 273 O "O5'" . G B 2 2 ? -14.235 -7.733 23.426 1.00 92.10 ? 2 G L "O5'" 1
|
| 1517 |
+
ATOM 274 C "C5'" . G B 2 2 ? -13.360 -6.916 22.672 1.00 89.76 ? 2 G L "C5'" 1
|
| 1518 |
+
ATOM 275 C "C4'" . G B 2 2 ? -13.652 -5.471 22.951 1.00 88.49 ? 2 G L "C4'" 1
|
| 1519 |
+
ATOM 276 O "O4'" . G B 2 2 ? -13.484 -5.212 24.370 1.00 88.42 ? 2 G L "O4'" 1
|
| 1520 |
+
ATOM 277 C "C3'" . G B 2 2 ? -12.711 -4.491 22.284 1.00 88.04 ? 2 G L "C3'" 1
|
| 1521 |
+
ATOM 278 O "O3'" . G B 2 2 ? -13.124 -4.253 20.948 1.00 88.00 ? 2 G L "O3'" 1
|
| 1522 |
+
ATOM 279 C "C2'" . G B 2 2 ? -12.858 -3.260 23.170 1.00 87.84 ? 2 G L "C2'" 1
|
| 1523 |
+
ATOM 280 O "O2'" . G B 2 2 ? -14.038 -2.528 22.897 1.00 87.43 ? 2 G L "O2'" 1
|
| 1524 |
+
ATOM 281 C "C1'" . G B 2 2 ? -12.965 -3.902 24.556 1.00 86.98 ? 2 G L "C1'" 1
|
| 1525 |
+
ATOM 282 N N9 . G B 2 2 ? -11.690 -4.009 25.263 1.00 84.25 ? 2 G L N9 1
|
| 1526 |
+
ATOM 283 C C8 . G B 2 2 ? -10.984 -5.159 25.527 1.00 82.88 ? 2 G L C8 1
|
| 1527 |
+
ATOM 284 N N7 . G B 2 2 ? -9.887 -4.945 26.201 1.00 81.63 ? 2 G L N7 1
|
| 1528 |
+
ATOM 285 C C5 . G B 2 2 ? -9.862 -3.571 26.394 1.00 81.08 ? 2 G L C5 1
|
| 1529 |
+
ATOM 286 C C6 . G B 2 2 ? -8.920 -2.760 27.067 1.00 79.93 ? 2 G L C6 1
|
| 1530 |
+
ATOM 287 O O6 . G B 2 2 ? -7.895 -3.105 27.656 1.00 79.79 ? 2 G L O6 1
|
| 1531 |
+
ATOM 288 N N1 . G B 2 2 ? -9.271 -1.415 27.015 1.00 79.65 ? 2 G L N1 1
|
| 1532 |
+
ATOM 289 C C2 . G B 2 2 ? -10.393 -0.915 26.399 1.00 80.47 ? 2 G L C2 1
|
| 1533 |
+
ATOM 290 N N2 . G B 2 2 ? -10.552 0.416 26.448 1.00 80.13 ? 2 G L N2 1
|
| 1534 |
+
ATOM 291 N N3 . G B 2 2 ? -11.290 -1.664 25.777 1.00 81.14 ? 2 G L N3 1
|
| 1535 |
+
ATOM 292 C C4 . G B 2 2 ? -10.962 -2.975 25.812 1.00 82.37 ? 2 G L C4 1
|
| 1536 |
+
ATOM 293 P P . A B 2 3 ? -12.057 -3.727 19.875 1.00 88.16 ? 3 A L P 1
|
| 1537 |
+
ATOM 294 O OP1 . A B 2 3 ? -12.558 -4.052 18.515 1.00 89.07 ? 3 A L OP1 1
|
| 1538 |
+
ATOM 295 O OP2 . A B 2 3 ? -10.705 -4.189 20.289 1.00 87.76 ? 3 A L OP2 1
|
| 1539 |
+
ATOM 296 O "O5'" . A B 2 3 ? -12.115 -2.151 20.043 1.00 85.91 ? 3 A L "O5'" 1
|
| 1540 |
+
ATOM 297 C "C5'" . A B 2 3 ? -11.010 -1.357 19.673 1.00 84.13 ? 3 A L "C5'" 1
|
| 1541 |
+
ATOM 298 C "C4'" . A B 2 3 ? -10.919 -0.155 20.565 1.00 83.02 ? 3 A L "C4'" 1
|
| 1542 |
+
ATOM 299 O "O4'" . A B 2 3 ? -10.921 -0.563 21.956 1.00 82.65 ? 3 A L "O4'" 1
|
| 1543 |
+
ATOM 300 C "C3'" . A B 2 3 ? -9.631 0.614 20.391 1.00 82.25 ? 3 A L "C3'" 1
|
| 1544 |
+
ATOM 301 O "O3'" . A B 2 3 ? -9.782 1.486 19.283 1.00 82.13 ? 3 A L "O3'" 1
|
| 1545 |
+
ATOM 302 C "C2'" . A B 2 3 ? -9.493 1.323 21.732 1.00 82.14 ? 3 A L "C2'" 1
|
| 1546 |
+
ATOM 303 O "O2'" . A B 2 3 ? -10.285 2.492 21.824 1.00 81.39 ? 3 A L "O2'" 1
|
| 1547 |
+
ATOM 304 C "C1'" . A B 2 3 ? -10.030 0.256 22.693 1.00 81.51 ? 3 A L "C1'" 1
|
| 1548 |
+
ATOM 305 N N9 . A B 2 3 ? -9.009 -0.614 23.278 1.00 80.42 ? 3 A L N9 1
|
| 1549 |
+
ATOM 306 C C8 . A B 2 3 ? -8.917 -1.980 23.161 1.00 79.61 ? 3 A L C8 1
|
| 1550 |
+
ATOM 307 N N7 . A B 2 3 ? -7.905 -2.500 23.810 1.00 79.00 ? 3 A L N7 1
|
| 1551 |
+
ATOM 308 C C5 . A B 2 3 ? -7.283 -1.404 24.391 1.00 79.30 ? 3 A L C5 1
|
| 1552 |
+
ATOM 309 C C6 . A B 2 3 ? -6.146 -1.286 25.210 1.00 79.24 ? 3 A L C6 1
|
| 1553 |
+
ATOM 310 N N6 . A B 2 3 ? -5.402 -2.325 25.602 1.00 78.40 ? 3 A L N6 1
|
| 1554 |
+
ATOM 311 N N1 . A B 2 3 ? -5.793 -0.046 25.618 1.00 78.96 ? 3 A L N1 1
|
| 1555 |
+
ATOM 312 C C2 . A B 2 3 ? -6.535 0.994 25.223 1.00 79.37 ? 3 A L C2 1
|
| 1556 |
+
ATOM 313 N N3 . A B 2 3 ? -7.622 1.011 24.455 1.00 80.15 ? 3 A L N3 1
|
| 1557 |
+
ATOM 314 C C4 . A B 2 3 ? -7.949 -0.235 24.068 1.00 79.92 ? 3 A L C4 1
|
| 1558 |
+
ATOM 315 P P . U B 2 4 ? -8.734 1.413 18.070 1.00 81.53 ? 4 U L P 1
|
| 1559 |
+
ATOM 316 O OP1 . U B 2 4 ? -9.385 2.004 16.875 1.00 82.31 ? 4 U L OP1 1
|
| 1560 |
+
ATOM 317 O OP2 . U B 2 4 ? -8.174 0.034 17.996 1.00 80.56 ? 4 U L OP2 1
|
| 1561 |
+
ATOM 318 O "O5'" . U B 2 4 ? -7.597 2.418 18.545 1.00 79.11 ? 4 U L "O5'" 1
|
| 1562 |
+
ATOM 319 C "C5'" . U B 2 4 ? -7.936 3.725 18.989 1.00 74.24 ? 4 U L "C5'" 1
|
| 1563 |
+
ATOM 320 C "C4'" . U B 2 4 ? -6.926 4.207 19.994 1.00 71.97 ? 4 U L "C4'" 1
|
| 1564 |
+
ATOM 321 O "O4'" . U B 2 4 ? -7.013 3.415 21.208 1.00 70.80 ? 4 U L "O4'" 1
|
| 1565 |
+
ATOM 322 C "C3'" . U B 2 4 ? -5.483 4.042 19.566 1.00 70.97 ? 4 U L "C3'" 1
|
| 1566 |
+
ATOM 323 O "O3'" . U B 2 4 ? -5.098 5.089 18.688 1.00 70.55 ? 4 U L "O3'" 1
|
| 1567 |
+
ATOM 324 C "C2'" . U B 2 4 ? -4.749 4.085 20.902 1.00 70.35 ? 4 U L "C2'" 1
|
| 1568 |
+
ATOM 325 O "O2'" . U B 2 4 ? -4.551 5.398 21.390 1.00 70.12 ? 4 U L "O2'" 1
|
| 1569 |
+
ATOM 326 C "C1'" . U B 2 4 ? -5.727 3.330 21.808 1.00 69.88 ? 4 U L "C1'" 1
|
| 1570 |
+
ATOM 327 N N1 . U B 2 4 ? -5.378 1.910 21.982 1.00 68.51 ? 4 U L N1 1
|
| 1571 |
+
ATOM 328 C C2 . U B 2 4 ? -4.284 1.612 22.777 1.00 66.16 ? 4 U L C2 1
|
| 1572 |
+
ATOM 329 O O2 . U B 2 4 ? -3.612 2.466 23.319 1.00 65.34 ? 4 U L O2 1
|
| 1573 |
+
ATOM 330 N N3 . U B 2 4 ? -4.005 0.277 22.906 1.00 64.71 ? 4 U L N3 1
|
| 1574 |
+
ATOM 331 C C4 . U B 2 4 ? -4.688 -0.774 22.330 1.00 65.79 ? 4 U L C4 1
|
| 1575 |
+
ATOM 332 O O4 . U B 2 4 ? -4.310 -1.929 22.542 1.00 64.88 ? 4 U L O4 1
|
| 1576 |
+
ATOM 333 C C5 . U B 2 4 ? -5.805 -0.390 21.518 1.00 66.16 ? 4 U L C5 1
|
| 1577 |
+
ATOM 334 C C6 . U B 2 4 ? -6.106 0.906 21.376 1.00 67.66 ? 4 U L C6 1
|
| 1578 |
+
ATOM 335 P P . C B 2 5 ? -4.009 4.802 17.540 1.00 69.94 ? 5 C L P 1
|
| 1579 |
+
ATOM 336 O OP1 . C B 2 5 ? -3.983 6.005 16.665 1.00 70.09 ? 5 C L OP1 1
|
| 1580 |
+
ATOM 337 O OP2 . C B 2 5 ? -4.273 3.462 16.955 1.00 68.87 ? 5 C L OP2 1
|
| 1581 |
+
ATOM 338 O "O5'" . C B 2 5 ? -2.626 4.727 18.325 1.00 69.65 ? 5 C L "O5'" 1
|
| 1582 |
+
ATOM 339 C "C5'" . C B 2 5 ? -2.101 5.875 18.978 1.00 68.06 ? 5 C L "C5'" 1
|
| 1583 |
+
ATOM 340 C "C4'" . C B 2 5 ? -0.945 5.486 19.866 1.00 67.35 ? 5 C L "C4'" 1
|
| 1584 |
+
ATOM 341 O "O4'" . C B 2 5 ? -1.412 4.625 20.940 1.00 67.56 ? 5 C L "O4'" 1
|
| 1585 |
+
ATOM 342 C "C3'" . C B 2 5 ? 0.141 4.662 19.207 1.00 66.22 ? 5 C L "C3'" 1
|
| 1586 |
+
ATOM 343 O "O3'" . C B 2 5 ? 1.006 5.499 18.456 1.00 65.50 ? 5 C L "O3'" 1
|
| 1587 |
+
ATOM 344 C "C2'" . C B 2 5 ? 0.825 4.046 20.423 1.00 66.68 ? 5 C L "C2'" 1
|
| 1588 |
+
ATOM 345 O "O2'" . C B 2 5 ? 1.668 4.961 21.101 1.00 65.54 ? 5 C L "O2'" 1
|
| 1589 |
+
ATOM 346 C "C1'" . C B 2 5 ? -0.381 3.720 21.307 1.00 65.51 ? 5 C L "C1'" 1
|
| 1590 |
+
ATOM 347 N N1 . C B 2 5 ? -0.887 2.349 21.124 1.00 63.98 ? 5 C L N1 1
|
| 1591 |
+
ATOM 348 C C2 . C B 2 5 ? -0.232 1.282 21.778 1.00 63.02 ? 5 C L C2 1
|
| 1592 |
+
ATOM 349 O O2 . C B 2 5 ? 0.748 1.525 22.498 1.00 61.32 ? 5 C L O2 1
|
| 1593 |
+
ATOM 350 N N3 . C B 2 5 ? -0.689 0.020 21.599 1.00 62.03 ? 5 C L N3 1
|
| 1594 |
+
ATOM 351 C C4 . C B 2 5 ? -1.746 -0.202 20.809 1.00 61.43 ? 5 C L C4 1
|
| 1595 |
+
ATOM 352 N N4 . C B 2 5 ? -2.147 -1.462 20.644 1.00 60.37 ? 5 C L N4 1
|
| 1596 |
+
ATOM 353 C C5 . C B 2 5 ? -2.434 0.860 20.147 1.00 61.14 ? 5 C L C5 1
|
| 1597 |
+
ATOM 354 C C6 . C B 2 5 ? -1.975 2.106 20.330 1.00 62.21 ? 5 C L C6 1
|
| 1598 |
+
ATOM 355 P P . C B 2 6 ? 1.841 4.886 17.225 1.00 64.63 ? 6 C L P 1
|
| 1599 |
+
ATOM 356 O OP1 . C B 2 6 ? 2.651 6.017 16.701 1.00 63.23 ? 6 C L OP1 1
|
| 1600 |
+
ATOM 357 O OP2 . C B 2 6 ? 0.921 4.148 16.320 1.00 64.57 ? 6 C L OP2 1
|
| 1601 |
+
ATOM 358 O "O5'" . C B 2 6 ? 2.826 3.828 17.896 1.00 64.10 ? 6 C L "O5'" 1
|
| 1602 |
+
ATOM 359 C "C5'" . C B 2 6 ? 3.833 4.256 18.808 1.00 64.53 ? 6 C L "C5'" 1
|
| 1603 |
+
ATOM 360 C "C4'" . C B 2 6 ? 4.450 3.073 19.511 1.00 64.33 ? 6 C L "C4'" 1
|
| 1604 |
+
ATOM 361 O "O4'" . C B 2 6 ? 3.410 2.331 20.194 1.00 63.59 ? 6 C L "O4'" 1
|
| 1605 |
+
ATOM 362 C "C3'" . C B 2 6 ? 5.118 2.030 18.628 1.00 64.71 ? 6 C L "C3'" 1
|
| 1606 |
+
ATOM 363 O "O3'" . C B 2 6 ? 6.445 2.435 18.298 1.00 65.16 ? 6 C L "O3'" 1
|
| 1607 |
+
ATOM 364 C "C2'" . C B 2 6 ? 5.107 0.798 19.526 1.00 63.87 ? 6 C L "C2'" 1
|
| 1608 |
+
ATOM 365 O "O2'" . C B 2 6 ? 6.149 0.801 20.475 1.00 66.01 ? 6 C L "O2'" 1
|
| 1609 |
+
ATOM 366 C "C1'" . C B 2 6 ? 3.770 0.961 20.254 1.00 63.53 ? 6 C L "C1'" 1
|
| 1610 |
+
ATOM 367 N N1 . C B 2 6 ? 2.697 0.168 19.646 1.00 63.59 ? 6 C L N1 1
|
| 1611 |
+
ATOM 368 C C2 . C B 2 6 ? 2.656 -1.195 19.915 1.00 63.88 ? 6 C L C2 1
|
| 1612 |
+
ATOM 369 O O2 . C B 2 6 ? 3.514 -1.676 20.673 1.00 62.62 ? 6 C L O2 1
|
| 1613 |
+
ATOM 370 N N3 . C B 2 6 ? 1.689 -1.954 19.343 1.00 64.29 ? 6 C L N3 1
|
| 1614 |
+
ATOM 371 C C4 . C B 2 6 ? 0.792 -1.389 18.531 1.00 64.15 ? 6 C L C4 1
|
| 1615 |
+
ATOM 372 N N4 . C B 2 6 ? -0.132 -2.179 17.969 1.00 64.80 ? 6 C L N4 1
|
| 1616 |
+
ATOM 373 C C5 . C B 2 6 ? 0.805 0.009 18.252 1.00 62.63 ? 6 C L C5 1
|
| 1617 |
+
ATOM 374 C C6 . C B 2 6 ? 1.765 0.743 18.825 1.00 62.92 ? 6 C L C6 1
|
| 1618 |
+
ATOM 375 P P . U B 2 7 ? 7.288 1.605 17.210 1.00 65.76 ? 7 U L P 1
|
| 1619 |
+
ATOM 376 O OP1 . U B 2 7 ? 8.426 2.460 16.792 1.00 65.79 ? 7 U L OP1 1
|
| 1620 |
+
ATOM 377 O OP2 . U B 2 7 ? 6.355 1.071 16.184 1.00 65.93 ? 7 U L OP2 1
|
| 1621 |
+
ATOM 378 O "O5'" . U B 2 7 ? 7.872 0.374 18.039 1.00 65.82 ? 7 U L "O5'" 1
|
| 1622 |
+
ATOM 379 C "C5'" . U B 2 7 ? 8.864 0.571 19.048 1.00 63.00 ? 7 U L "C5'" 1
|
| 1623 |
+
ATOM 380 C "C4'" . U B 2 7 ? 9.425 -0.760 19.495 1.00 61.73 ? 7 U L "C4'" 1
|
| 1624 |
+
ATOM 381 O "O4'" . U B 2 7 ? 8.393 -1.526 20.172 1.00 60.79 ? 7 U L "O4'" 1
|
| 1625 |
+
ATOM 382 C "C3'" . U B 2 7 ? 9.891 -1.674 18.374 1.00 61.49 ? 7 U L "C3'" 1
|
| 1626 |
+
ATOM 383 O "O3'" . U B 2 7 ? 11.214 -1.344 17.962 1.00 61.86 ? 7 U L "O3'" 1
|
| 1627 |
+
ATOM 384 C "C2'" . U B 2 7 ? 9.813 -3.049 19.024 1.00 59.73 ? 7 U L "C2'" 1
|
| 1628 |
+
ATOM 385 O "O2'" . U B 2 7 ? 10.928 -3.303 19.847 1.00 58.45 ? 7 U L "O2'" 1
|
| 1629 |
+
ATOM 386 C "C1'" . U B 2 7 ? 8.559 -2.907 19.892 1.00 59.18 ? 7 U L "C1'" 1
|
| 1630 |
+
ATOM 387 N N1 . U B 2 7 ? 7.317 -3.402 19.276 1.00 58.82 ? 7 U L N1 1
|
| 1631 |
+
ATOM 388 C C2 . U B 2 7 ? 7.179 -4.775 19.093 1.00 59.35 ? 7 U L C2 1
|
| 1632 |
+
ATOM 389 O O2 . U B 2 7 ? 8.050 -5.578 19.403 1.00 60.15 ? 7 U L O2 1
|
| 1633 |
+
ATOM 390 N N3 . U B 2 7 ? 5.985 -5.170 18.527 1.00 57.80 ? 7 U L N3 1
|
| 1634 |
+
ATOM 391 C C4 . U B 2 7 ? 4.939 -4.351 18.131 1.00 57.82 ? 7 U L C4 1
|
| 1635 |
+
ATOM 392 O O4 . U B 2 7 ? 3.922 -4.856 17.647 1.00 56.93 ? 7 U L O4 1
|
| 1636 |
+
ATOM 393 C C5 . U B 2 7 ? 5.161 -2.948 18.347 1.00 57.79 ? 7 U L C5 1
|
| 1637 |
+
ATOM 394 C C6 . U B 2 7 ? 6.313 -2.532 18.896 1.00 58.45 ? 7 U L C6 1
|
| 1638 |
+
ATOM 395 P P . A B 2 8 ? 11.681 -1.676 16.466 1.00 62.59 ? 8 A L P 1
|
| 1639 |
+
ATOM 396 O OP1 . A B 2 8 ? 13.108 -1.295 16.344 1.00 61.04 ? 8 A L OP1 1
|
| 1640 |
+
ATOM 397 O OP2 . A B 2 8 ? 10.682 -1.101 15.521 1.00 62.60 ? 8 A L OP2 1
|
| 1641 |
+
ATOM 398 O "O5'" . A B 2 8 ? 11.570 -3.263 16.402 1.00 62.89 ? 8 A L "O5'" 1
|
| 1642 |
+
ATOM 399 C "C5'" . A B 2 8 ? 12.377 -4.078 17.235 1.00 63.00 ? 8 A L "C5'" 1
|
| 1643 |
+
ATOM 400 C "C4'" . A B 2 8 ? 12.122 -5.528 16.938 1.00 63.61 ? 8 A L "C4'" 1
|
| 1644 |
+
ATOM 401 O "O4'" . A B 2 8 ? 10.814 -5.917 17.424 1.00 64.07 ? 8 A L "O4'" 1
|
| 1645 |
+
ATOM 402 C "C3'" . A B 2 8 ? 12.072 -5.862 15.463 1.00 64.58 ? 8 A L "C3'" 1
|
| 1646 |
+
ATOM 403 O "O3'" . A B 2 8 ? 13.377 -6.011 14.934 1.00 65.30 ? 8 A L "O3'" 1
|
| 1647 |
+
ATOM 404 C "C2'" . A B 2 8 ? 11.283 -7.164 15.452 1.00 64.33 ? 8 A L "C2'" 1
|
| 1648 |
+
ATOM 405 O "O2'" . A B 2 8 ? 12.079 -8.286 15.772 1.00 63.01 ? 8 A L "O2'" 1
|
| 1649 |
+
ATOM 406 C "C1'" . A B 2 8 ? 10.265 -6.904 16.564 1.00 64.66 ? 8 A L "C1'" 1
|
| 1650 |
+
ATOM 407 N N9 . A B 2 8 ? 8.971 -6.420 16.083 1.00 65.74 ? 8 A L N9 1
|
| 1651 |
+
ATOM 408 C C8 . A B 2 8 ? 8.550 -5.119 15.947 1.00 65.23 ? 8 A L C8 1
|
| 1652 |
+
ATOM 409 N N7 . A B 2 8 ? 7.312 -5.005 15.530 1.00 65.25 ? 8 A L N7 1
|
| 1653 |
+
ATOM 410 C C5 . A B 2 8 ? 6.892 -6.319 15.371 1.00 66.05 ? 8 A L C5 1
|
| 1654 |
+
ATOM 411 C C6 . A B 2 8 ? 5.664 -6.882 14.960 1.00 66.90 ? 8 A L C6 1
|
| 1655 |
+
ATOM 412 N N6 . A B 2 8 ? 4.584 -6.161 14.642 1.00 65.98 ? 8 A L N6 1
|
| 1656 |
+
ATOM 413 N N1 . A B 2 8 ? 5.582 -8.232 14.894 1.00 66.68 ? 8 A L N1 1
|
| 1657 |
+
ATOM 414 C C2 . A B 2 8 ? 6.659 -8.955 15.235 1.00 66.99 ? 8 A L C2 1
|
| 1658 |
+
ATOM 415 N N3 . A B 2 8 ? 7.860 -8.542 15.649 1.00 66.72 ? 8 A L N3 1
|
| 1659 |
+
ATOM 416 C C4 . A B 2 8 ? 7.910 -7.200 15.694 1.00 65.97 ? 8 A L C4 1
|
| 1660 |
+
ATOM 417 P P . G B 2 9 ? 13.641 -5.649 13.398 1.00 66.18 ? 9 G L P 1
|
| 1661 |
+
ATOM 418 O OP1 . G B 2 9 ? 15.109 -5.590 13.173 1.00 67.73 ? 9 G L OP1 1
|
| 1662 |
+
ATOM 419 O OP2 . G B 2 9 ? 12.793 -4.480 13.038 1.00 66.46 ? 9 G L OP2 1
|
| 1663 |
+
ATOM 420 O "O5'" . G B 2 9 ? 13.076 -6.917 12.630 1.00 64.46 ? 9 G L "O5'" 1
|
| 1664 |
+
ATOM 421 C "C5'" . G B 2 9 ? 12.363 -6.762 11.423 1.00 59.41 ? 9 G L "C5'" 1
|
| 1665 |
+
ATOM 422 C "C4'" . G B 2 9 ? 11.096 -7.566 11.473 1.00 56.76 ? 9 G L "C4'" 1
|
| 1666 |
+
ATOM 423 O "O4'" . G B 2 9 ? 10.295 -7.172 12.621 1.00 54.43 ? 9 G L "O4'" 1
|
| 1667 |
+
ATOM 424 C "C3'" . G B 2 9 ? 10.202 -7.331 10.275 1.00 55.27 ? 9 G L "C3'" 1
|
| 1668 |
+
ATOM 425 O "O3'" . G B 2 9 ? 10.619 -8.162 9.210 1.00 53.67 ? 9 G L "O3'" 1
|
| 1669 |
+
ATOM 426 C "C2'" . G B 2 9 ? 8.827 -7.675 10.832 1.00 55.28 ? 9 G L "C2'" 1
|
| 1670 |
+
ATOM 427 O "O2'" . G B 2 9 ? 8.576 -9.064 10.900 1.00 53.54 ? 9 G L "O2'" 1
|
| 1671 |
+
ATOM 428 C "C1'" . G B 2 9 ? 8.930 -7.075 12.236 1.00 54.06 ? 9 G L "C1'" 1
|
| 1672 |
+
ATOM 429 N N9 . G B 2 9 ? 8.580 -5.659 12.229 1.00 52.83 ? 9 G L N9 1
|
| 1673 |
+
ATOM 430 C C8 . G B 2 9 ? 9.428 -4.600 12.461 1.00 52.03 ? 9 G L C8 1
|
| 1674 |
+
ATOM 431 N N7 . G B 2 9 ? 8.832 -3.440 12.389 1.00 50.63 ? 9 G L N7 1
|
| 1675 |
+
ATOM 432 C C5 . G B 2 9 ? 7.513 -3.749 12.090 1.00 49.18 ? 9 G L C5 1
|
| 1676 |
+
ATOM 433 C C6 . G B 2 9 ? 6.408 -2.902 11.882 1.00 48.09 ? 9 G L C6 1
|
| 1677 |
+
ATOM 434 O O6 . G B 2 9 ? 6.376 -1.670 11.910 1.00 48.98 ? 9 G L O6 1
|
| 1678 |
+
ATOM 435 N N1 . G B 2 9 ? 5.250 -3.624 11.606 1.00 47.64 ? 9 G L N1 1
|
| 1679 |
+
ATOM 436 C C2 . G B 2 9 ? 5.173 -4.994 11.522 1.00 48.54 ? 9 G L C2 1
|
| 1680 |
+
ATOM 437 N N2 . G B 2 9 ? 3.968 -5.502 11.246 1.00 45.54 ? 9 G L N2 1
|
| 1681 |
+
ATOM 438 N N3 . G B 2 9 ? 6.209 -5.803 11.700 1.00 49.61 ? 9 G L N3 1
|
| 1682 |
+
ATOM 439 C C4 . G B 2 9 ? 7.339 -5.115 11.985 1.00 51.05 ? 9 G L C4 1
|
| 1683 |
+
ATOM 440 P P . U B 2 10 ? 10.952 -7.508 7.788 1.00 53.64 ? 10 U L P 1
|
| 1684 |
+
ATOM 441 O OP1 . U B 2 10 ? 11.649 -8.528 6.972 1.00 55.58 ? 10 U L OP1 1
|
| 1685 |
+
ATOM 442 O OP2 . U B 2 10 ? 11.584 -6.184 8.001 1.00 53.93 ? 10 U L OP2 1
|
| 1686 |
+
ATOM 443 O "O5'" . U B 2 10 ? 9.510 -7.308 7.148 1.00 53.12 ? 10 U L "O5'" 1
|
| 1687 |
+
ATOM 444 C "C5'" . U B 2 10 ? 8.638 -8.419 7.005 1.00 49.49 ? 10 U L "C5'" 1
|
| 1688 |
+
ATOM 445 C "C4'" . U B 2 10 ? 7.220 -7.949 6.918 1.00 49.02 ? 10 U L "C4'" 1
|
| 1689 |
+
ATOM 446 O "O4'" . U B 2 10 ? 6.858 -7.281 8.160 1.00 47.23 ? 10 U L "O4'" 1
|
| 1690 |
+
ATOM 447 C "C3'" . U B 2 10 ? 6.959 -6.898 5.854 1.00 48.70 ? 10 U L "C3'" 1
|
| 1691 |
+
ATOM 448 O "O3'" . U B 2 10 ? 6.800 -7.481 4.562 1.00 50.05 ? 10 U L "O3'" 1
|
| 1692 |
+
ATOM 449 C "C2'" . U B 2 10 ? 5.680 -6.257 6.372 1.00 47.93 ? 10 U L "C2'" 1
|
| 1693 |
+
ATOM 450 O "O2'" . U B 2 10 ? 4.546 -7.047 6.110 1.00 45.34 ? 10 U L "O2'" 1
|
| 1694 |
+
ATOM 451 C "C1'" . U B 2 10 ? 5.954 -6.223 7.882 1.00 47.25 ? 10 U L "C1'" 1
|
| 1695 |
+
ATOM 452 N N1 . U B 2 10 ? 6.604 -4.966 8.275 1.00 46.76 ? 10 U L N1 1
|
| 1696 |
+
ATOM 453 C C2 . U B 2 10 ? 5.811 -3.821 8.392 1.00 45.72 ? 10 U L C2 1
|
| 1697 |
+
ATOM 454 O O2 . U B 2 10 ? 4.600 -3.815 8.209 1.00 42.43 ? 10 U L O2 1
|
| 1698 |
+
ATOM 455 N N3 . U B 2 10 ? 6.499 -2.681 8.726 1.00 44.19 ? 10 U L N3 1
|
| 1699 |
+
ATOM 456 C C4 . U B 2 10 ? 7.852 -2.566 8.942 1.00 43.00 ? 10 U L C4 1
|
| 1700 |
+
ATOM 457 O O4 . U B 2 10 ? 8.323 -1.460 9.174 1.00 42.36 ? 10 U L O4 1
|
| 1701 |
+
ATOM 458 C C5 . U B 2 10 ? 8.593 -3.789 8.820 1.00 43.59 ? 10 U L C5 1
|
| 1702 |
+
ATOM 459 C C6 . U B 2 10 ? 7.960 -4.918 8.502 1.00 43.69 ? 10 U L C6 1
|
| 1703 |
+
ATOM 460 P P . G B 2 11 ? 6.875 -6.543 3.256 1.00 51.77 ? 11 G L P 1
|
| 1704 |
+
ATOM 461 O OP1 . G B 2 11 ? 6.882 -7.393 2.042 1.00 50.65 ? 11 G L OP1 1
|
| 1705 |
+
ATOM 462 O OP2 . G B 2 11 ? 7.965 -5.554 3.468 1.00 50.49 ? 11 G L OP2 1
|
| 1706 |
+
ATOM 463 O "O5'" . G B 2 11 ? 5.474 -5.782 3.277 1.00 49.96 ? 11 G L "O5'" 1
|
| 1707 |
+
ATOM 464 C "C5'" . G B 2 11 ? 4.268 -6.514 3.112 1.00 45.25 ? 11 G L "C5'" 1
|
| 1708 |
+
ATOM 465 C "C4'" . G B 2 11 ? 3.109 -5.584 2.865 1.00 43.72 ? 11 G L "C4'" 1
|
| 1709 |
+
ATOM 466 O "O4'" . G B 2 11 ? 2.817 -4.823 4.068 1.00 42.56 ? 11 G L "O4'" 1
|
| 1710 |
+
ATOM 467 C "C3'" . G B 2 11 ? 3.284 -4.516 1.796 1.00 41.88 ? 11 G L "C3'" 1
|
| 1711 |
+
ATOM 468 O "O3'" . G B 2 11 ? 3.077 -5.031 0.488 1.00 40.38 ? 11 G L "O3'" 1
|
| 1712 |
+
ATOM 469 C "C2'" . G B 2 11 ? 2.170 -3.560 2.179 1.00 42.62 ? 11 G L "C2'" 1
|
| 1713 |
+
ATOM 470 O "O2'" . G B 2 11 ? 0.906 -4.087 1.821 1.00 42.49 ? 11 G L "O2'" 1
|
| 1714 |
+
ATOM 471 C "C1'" . G B 2 11 ? 2.304 -3.556 3.704 1.00 42.44 ? 11 G L "C1'" 1
|
| 1715 |
+
ATOM 472 N N9 . G B 2 11 ? 3.235 -2.532 4.170 1.00 42.56 ? 11 G L N9 1
|
| 1716 |
+
ATOM 473 C C8 . G B 2 11 ? 4.549 -2.700 4.543 1.00 41.55 ? 11 G L C8 1
|
| 1717 |
+
ATOM 474 N N7 . G B 2 11 ? 5.116 -1.590 4.935 1.00 39.80 ? 11 G L N7 1
|
| 1718 |
+
ATOM 475 C C5 . G B 2 11 ? 4.117 -0.632 4.809 1.00 39.47 ? 11 G L C5 1
|
| 1719 |
+
ATOM 476 C C6 . G B 2 11 ? 4.131 0.757 5.091 1.00 36.44 ? 11 G L C6 1
|
| 1720 |
+
ATOM 477 O O6 . G B 2 11 ? 5.047 1.437 5.542 1.00 34.65 ? 11 G L O6 1
|
| 1721 |
+
ATOM 478 N N1 . G B 2 11 ? 2.911 1.351 4.804 1.00 37.32 ? 11 G L N1 1
|
| 1722 |
+
ATOM 479 C C2 . G B 2 11 ? 1.806 0.696 4.323 1.00 40.67 ? 11 G L C2 1
|
| 1723 |
+
ATOM 480 N N2 . G B 2 11 ? 0.707 1.439 4.126 1.00 37.17 ? 11 G L N2 1
|
| 1724 |
+
ATOM 481 N N3 . G B 2 11 ? 1.775 -0.599 4.061 1.00 42.82 ? 11 G L N3 1
|
| 1725 |
+
ATOM 482 C C4 . G B 2 11 ? 2.956 -1.196 4.327 1.00 41.32 ? 11 G L C4 1
|
| 1726 |
+
ATOM 483 P P . U B 2 12 ? 3.872 -4.399 -0.758 1.00 38.76 ? 12 U L P 1
|
| 1727 |
+
ATOM 484 O OP1 . U B 2 12 ? 3.430 -5.102 -1.986 1.00 42.70 ? 12 U L OP1 1
|
| 1728 |
+
ATOM 485 O OP2 . U B 2 12 ? 5.320 -4.327 -0.442 1.00 43.37 ? 12 U L OP2 1
|
| 1729 |
+
ATOM 486 O "O5'" . U B 2 12 ? 3.293 -2.925 -0.850 1.00 41.17 ? 12 U L "O5'" 1
|
| 1730 |
+
ATOM 487 C "C5'" . U B 2 12 ? 1.892 -2.724 -0.974 1.00 39.64 ? 12 U L "C5'" 1
|
| 1731 |
+
ATOM 488 C "C4'" . U B 2 12 ? 1.574 -1.262 -0.936 1.00 36.95 ? 12 U L "C4'" 1
|
| 1732 |
+
ATOM 489 O "O4'" . U B 2 12 ? 1.704 -0.747 0.417 1.00 37.12 ? 12 U L "O4'" 1
|
| 1733 |
+
ATOM 490 C "C3'" . U B 2 12 ? 2.510 -0.392 -1.750 1.00 34.69 ? 12 U L "C3'" 1
|
| 1734 |
+
ATOM 491 O "O3'" . U B 2 12 ? 2.167 -0.471 -3.119 1.00 35.70 ? 12 U L "O3'" 1
|
| 1735 |
+
ATOM 492 C "C2'" . U B 2 12 ? 2.248 0.971 -1.132 1.00 35.29 ? 12 U L "C2'" 1
|
| 1736 |
+
ATOM 493 O "O2'" . U B 2 12 ? 1.004 1.484 -1.561 1.00 33.65 ? 12 U L "O2'" 1
|
| 1737 |
+
ATOM 494 C "C1'" . U B 2 12 ? 2.152 0.602 0.357 1.00 35.69 ? 12 U L "C1'" 1
|
| 1738 |
+
ATOM 495 N N1 . U B 2 12 ? 3.448 0.677 1.042 1.00 33.23 ? 12 U L N1 1
|
| 1739 |
+
ATOM 496 C C2 . U B 2 12 ? 3.784 1.869 1.644 1.00 33.03 ? 12 U L C2 1
|
| 1740 |
+
ATOM 497 O O2 . U B 2 12 ? 3.043 2.820 1.675 1.00 34.08 ? 12 U L O2 1
|
| 1741 |
+
ATOM 498 N N3 . U B 2 12 ? 5.028 1.899 2.225 1.00 34.47 ? 12 U L N3 1
|
| 1742 |
+
ATOM 499 C C4 . U B 2 12 ? 5.939 0.868 2.282 1.00 32.25 ? 12 U L C4 1
|
| 1743 |
+
ATOM 500 O O4 . U B 2 12 ? 6.994 1.047 2.860 1.00 31.97 ? 12 U L O4 1
|
| 1744 |
+
ATOM 501 C C5 . U B 2 12 ? 5.510 -0.353 1.661 1.00 32.22 ? 12 U L C5 1
|
| 1745 |
+
ATOM 502 C C6 . U B 2 12 ? 4.308 -0.406 1.075 1.00 33.17 ? 12 U L C6 1
|
| 1746 |
+
ATOM 503 P P . G B 2 13 ? 3.196 0.055 -4.232 1.00 36.62 ? 13 G L P 1
|
| 1747 |
+
ATOM 504 O OP1 . G B 2 13 ? 2.850 -0.502 -5.554 1.00 37.60 ? 13 G L OP1 1
|
| 1748 |
+
ATOM 505 O OP2 . G B 2 13 ? 4.580 -0.067 -3.737 1.00 39.32 ? 13 G L OP2 1
|
| 1749 |
+
ATOM 506 O "O5'" . G B 2 13 ? 2.833 1.595 -4.293 1.00 40.47 ? 13 G L "O5'" 1
|
| 1750 |
+
ATOM 507 C "C5'" . G B 2 13 ? 3.789 2.516 -4.710 1.00 38.49 ? 13 G L "C5'" 1
|
| 1751 |
+
ATOM 508 C "C4'" . G B 2 13 ? 3.583 3.832 -4.030 1.00 38.17 ? 13 G L "C4'" 1
|
| 1752 |
+
ATOM 509 O "O4'" . G B 2 13 ? 3.508 3.695 -2.582 1.00 37.30 ? 13 G L "O4'" 1
|
| 1753 |
+
ATOM 510 C "C3'" . G B 2 13 ? 4.802 4.689 -4.271 1.00 36.48 ? 13 G L "C3'" 1
|
| 1754 |
+
ATOM 511 O "O3'" . G B 2 13 ? 4.681 5.256 -5.551 1.00 36.56 ? 13 G L "O3'" 1
|
| 1755 |
+
ATOM 512 C "C2'" . G B 2 13 ? 4.750 5.654 -3.107 1.00 37.16 ? 13 G L "C2'" 1
|
| 1756 |
+
ATOM 513 O "O2'" . G B 2 13 ? 3.773 6.649 -3.317 1.00 35.74 ? 13 G L "O2'" 1
|
| 1757 |
+
ATOM 514 C "C1'" . G B 2 13 ? 4.322 4.704 -1.977 1.00 40.16 ? 13 G L "C1'" 1
|
| 1758 |
+
ATOM 515 N N9 . G B 2 13 ? 5.453 4.044 -1.309 1.00 41.22 ? 13 G L N9 1
|
| 1759 |
+
ATOM 516 C C8 . G B 2 13 ? 5.749 2.700 -1.339 1.00 40.32 ? 13 G L C8 1
|
| 1760 |
+
ATOM 517 N N7 . G B 2 13 ? 6.810 2.389 -0.646 1.00 39.74 ? 13 G L N7 1
|
| 1761 |
+
ATOM 518 C C5 . G B 2 13 ? 7.255 3.596 -0.129 1.00 40.44 ? 13 G L C5 1
|
| 1762 |
+
ATOM 519 C C6 . G B 2 13 ? 8.384 3.886 0.706 1.00 39.27 ? 13 G L C6 1
|
| 1763 |
+
ATOM 520 O O6 . G B 2 13 ? 9.227 3.109 1.153 1.00 36.12 ? 13 G L O6 1
|
| 1764 |
+
ATOM 521 N N1 . G B 2 13 ? 8.469 5.243 1.001 1.00 37.97 ? 13 G L N1 1
|
| 1765 |
+
ATOM 522 C C2 . G B 2 13 ? 7.590 6.201 0.553 1.00 39.36 ? 13 G L C2 1
|
| 1766 |
+
ATOM 523 N N2 . G B 2 13 ? 7.846 7.453 0.955 1.00 38.23 ? 13 G L N2 1
|
| 1767 |
+
ATOM 524 N N3 . G B 2 13 ? 6.536 5.949 -0.230 1.00 39.04 ? 13 G L N3 1
|
| 1768 |
+
ATOM 525 C C4 . G B 2 13 ? 6.430 4.634 -0.527 1.00 40.48 ? 13 G L C4 1
|
| 1769 |
+
ATOM 526 P P . G B 2 14 ? 5.894 5.126 -6.577 1.00 37.54 ? 14 G L P 1
|
| 1770 |
+
ATOM 527 O OP1 . G B 2 14 ? 5.403 5.532 -7.919 1.00 39.70 ? 14 G L OP1 1
|
| 1771 |
+
ATOM 528 O OP2 . G B 2 14 ? 6.505 3.786 -6.401 1.00 39.69 ? 14 G L OP2 1
|
| 1772 |
+
ATOM 529 O "O5'" . G B 2 14 ? 6.891 6.242 -6.027 1.00 39.58 ? 14 G L "O5'" 1
|
| 1773 |
+
ATOM 530 C "C5'" . G B 2 14 ? 6.380 7.499 -5.573 1.00 37.81 ? 14 G L "C5'" 1
|
| 1774 |
+
ATOM 531 C "C4'" . G B 2 14 ? 7.436 8.259 -4.813 1.00 39.67 ? 14 G L "C4'" 1
|
| 1775 |
+
ATOM 532 O "O4'" . G B 2 14 ? 7.525 7.818 -3.430 1.00 39.71 ? 14 G L "O4'" 1
|
| 1776 |
+
ATOM 533 C "C3'" . G B 2 14 ? 8.858 8.111 -5.325 1.00 39.81 ? 14 G L "C3'" 1
|
| 1777 |
+
ATOM 534 O "O3'" . G B 2 14 ? 9.149 8.754 -6.582 1.00 41.45 ? 14 G L "O3'" 1
|
| 1778 |
+
ATOM 535 C "C2'" . G B 2 14 ? 9.662 8.609 -4.134 1.00 39.22 ? 14 G L "C2'" 1
|
| 1779 |
+
ATOM 536 O "O2'" . G B 2 14 ? 9.675 10.019 -4.074 1.00 37.93 ? 14 G L "O2'" 1
|
| 1780 |
+
ATOM 537 C "C1'" . G B 2 14 ? 8.852 8.039 -2.960 1.00 40.45 ? 14 G L "C1'" 1
|
| 1781 |
+
ATOM 538 N N9 . G B 2 14 ? 9.419 6.773 -2.501 1.00 43.22 ? 14 G L N9 1
|
| 1782 |
+
ATOM 539 C C8 . G B 2 14 ? 9.040 5.497 -2.858 1.00 42.21 ? 14 G L C8 1
|
| 1783 |
+
ATOM 540 N N7 . G B 2 14 ? 9.791 4.572 -2.326 1.00 40.65 ? 14 G L N7 1
|
| 1784 |
+
ATOM 541 C C5 . G B 2 14 ? 10.715 5.276 -1.565 1.00 42.80 ? 14 G L C5 1
|
| 1785 |
+
ATOM 542 C C6 . G B 2 14 ? 11.803 4.815 -0.770 1.00 42.44 ? 14 G L C6 1
|
| 1786 |
+
ATOM 543 O O6 . G B 2 14 ? 12.196 3.658 -0.598 1.00 43.97 ? 14 G L O6 1
|
| 1787 |
+
ATOM 544 N N1 . G B 2 14 ? 12.465 5.869 -0.151 1.00 42.08 ? 14 G L N1 1
|
| 1788 |
+
ATOM 545 C C2 . G B 2 14 ? 12.141 7.195 -0.290 1.00 42.17 ? 14 G L C2 1
|
| 1789 |
+
ATOM 546 N N2 . G B 2 14 ? 12.895 8.062 0.399 1.00 43.35 ? 14 G L N2 1
|
| 1790 |
+
ATOM 547 N N3 . G B 2 14 ? 11.151 7.639 -1.044 1.00 42.09 ? 14 G L N3 1
|
| 1791 |
+
ATOM 548 C C4 . G B 2 14 ? 10.483 6.634 -1.645 1.00 43.12 ? 14 G L C4 1
|
| 1792 |
+
HETATM 549 BR BR . BR C 3 . ? 6.782 6.911 8.503 1.00 69.16 ? 13 BR S BR 1
|
| 1793 |
+
HETATM 550 O O . HOH D 4 . ? 14.293 -0.433 1.397 1.00 33.67 ? 14 HOH S O 1
|
| 1794 |
+
HETATM 551 O O . HOH D 4 . ? 16.534 10.019 2.406 1.00 33.26 ? 15 HOH S O 1
|
| 1795 |
+
HETATM 552 O O . HOH D 4 . ? 0.000 7.606 0.000 0.50 31.42 ? 16 HOH S O 1
|
| 1796 |
+
HETATM 553 O O . HOH D 4 . ? 10.904 2.127 5.896 1.00 42.18 ? 17 HOH S O 1
|
| 1797 |
+
HETATM 554 O O . HOH D 4 . ? -5.279 1.909 7.990 1.00 26.08 ? 18 HOH S O 1
|
| 1798 |
+
HETATM 555 O O . HOH D 4 . ? 6.068 -14.405 -1.008 1.00 40.62 ? 19 HOH S O 1
|
| 1799 |
+
HETATM 556 O O . HOH D 4 . ? 5.025 -9.672 4.985 1.00 52.26 ? 20 HOH S O 1
|
| 1800 |
+
HETATM 557 O O . HOH D 4 . ? 3.003 8.261 2.066 1.00 43.50 ? 21 HOH S O 1
|
| 1801 |
+
HETATM 558 O O . HOH D 4 . ? 0.674 3.609 11.698 1.00 27.75 ? 22 HOH S O 1
|
| 1802 |
+
HETATM 559 O O . HOH D 4 . ? -6.143 2.241 10.613 1.00 30.70 ? 23 HOH S O 1
|
| 1803 |
+
HETATM 560 O O . HOH D 4 . ? 16.465 -0.052 3.474 1.00 47.03 ? 24 HOH S O 1
|
| 1804 |
+
HETATM 561 O O . HOH E 4 . ? 6.646 -9.862 2.601 1.00 47.01 ? 15 HOH L O 1
|
| 1805 |
+
HETATM 562 O O . HOH E 4 . ? 2.270 -3.514 -6.257 1.00 39.38 ? 16 HOH L O 1
|
| 1806 |
+
HETATM 563 O O . HOH E 4 . ? 2.068 -6.589 -6.935 1.00 37.50 ? 17 HOH L O 1
|
| 1807 |
+
HETATM 564 O O . HOH E 4 . ? 8.375 -0.023 -0.623 1.00 28.53 ? 18 HOH L O 1
|
| 1808 |
+
HETATM 565 O O . HOH E 4 . ? 0.026 -6.113 -0.012 0.50 29.42 ? 19 HOH L O 1
|
| 1809 |
+
HETATM 566 O O . HOH E 4 . ? 2.061 -7.525 -1.458 1.00 32.73 ? 20 HOH L O 1
|
| 1810 |
+
HETATM 567 O O . HOH E 4 . ? 11.304 -4.180 6.096 1.00 47.96 ? 21 HOH L O 1
|
| 1811 |
+
HETATM 568 O O . HOH E 4 . ? 0.196 4.260 3.646 1.00 28.28 ? 22 HOH L O 1
|
| 1812 |
+
HETATM 569 O O . HOH E 4 . ? 4.833 8.830 -0.756 1.00 39.84 ? 23 HOH L O 1
|
| 1813 |
+
HETATM 570 O O . HOH E 4 . ? 8.741 7.118 -8.997 1.00 39.25 ? 24 HOH L O 1
|
| 1814 |
+
#
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