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- structures/1a9n.cif +0 -0
- structures/1dfu.cif +0 -0
- structures/1etg.cif +0 -0
- structures/1f1t.cif +0 -0
- structures/1fhk.cif +0 -0
- structures/1fix.cif +1864 -0
- structures/1hs8.cif +1321 -0
- structures/1j2b.cif +0 -0
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- structures/1n34.cif +0 -0
- structures/1qd3.cif +0 -0
- structures/1sfo.cif +0 -0
- structures/1xok.cif +0 -0
- structures/1y39.cif +0 -0
- structures/1y3o.cif +0 -0
- structures/1zl3.cif +0 -0
- structures/2adt.cif +0 -0
- structures/2ap0.cif +0 -0
- structures/2b8r.cif +0 -0
- structures/2cky.cif +0 -0
- structures/2dxi.cif +0 -0
- structures/2f4u.cif +0 -0
- structures/2f87.cif +0 -0
- structures/2hom.cif +0 -0
- structures/2jlt.cif +0 -0
- structures/2jxq.cif +0 -0
- structures/2l5z.cif +0 -0
- structures/2mff.cif +0 -0
- structures/2ms1.cif +0 -0
- structures/2o3x.cif +0 -0
- structures/2tra.cif +0 -0
- structures/2zh6.cif +0 -0
- structures/3eoh.cif +0 -0
- structures/3gx5.cif +0 -0
- structures/3icq.cif +0 -0
- structures/3izd.cif +0 -0
- structures/3mxh.cif +0 -0
- structures/470d.cif +0 -0
- structures/4b3t.cif +0 -0
- structures/4gcw.cif +0 -0
- structures/4k4y.cif +0 -0
- structures/4lgt.cif +0 -0
- structures/4p5j.cif +0 -0
- structures/4p8z.cif +0 -0
- structures/4py5.cif +0 -0
- structures/4x4p.cif +0 -0
- structures/5dm7.cif +0 -0
- structures/5f8h.cif +0 -0
- structures/5jc3.cif +0 -0
- structures/5k0y.cif +0 -0
structures/1a9n.cif
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structures/1dfu.cif
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structures/1etg.cif
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structures/1f1t.cif
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structures/1fhk.cif
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structures/1fix.cif
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_1FIX
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1FIX
|
| 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 1FIX pdb_00001fix 10.2210/pdb1fix/pdb
|
| 15 |
+
RCSB UHJ055 ? ?
|
| 16 |
+
WWPDB D_1000173305 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 1996-12-11
|
| 25 |
+
2 'Structure model' 1 1 2008-05-22
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2024-02-07
|
| 28 |
+
5 'Structure model' 1 4 2024-04-03
|
| 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 5 'Structure model' 'Refinement description'
|
| 48 |
+
#
|
| 49 |
+
loop_
|
| 50 |
+
_pdbx_audit_revision_category.ordinal
|
| 51 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 52 |
+
_pdbx_audit_revision_category.data_content_type
|
| 53 |
+
_pdbx_audit_revision_category.category
|
| 54 |
+
1 4 'Structure model' chem_comp_atom
|
| 55 |
+
2 4 'Structure model' chem_comp_bond
|
| 56 |
+
3 4 'Structure model' database_2
|
| 57 |
+
4 5 'Structure model' pdbx_initial_refinement_model
|
| 58 |
+
#
|
| 59 |
+
loop_
|
| 60 |
+
_pdbx_audit_revision_item.ordinal
|
| 61 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 62 |
+
_pdbx_audit_revision_item.data_content_type
|
| 63 |
+
_pdbx_audit_revision_item.item
|
| 64 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 65 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 66 |
+
#
|
| 67 |
+
_pdbx_database_status.status_code REL
|
| 68 |
+
_pdbx_database_status.entry_id 1FIX
|
| 69 |
+
_pdbx_database_status.recvd_initial_deposition_date 1996-10-24
|
| 70 |
+
_pdbx_database_status.deposit_site NDB
|
| 71 |
+
_pdbx_database_status.process_site NDB
|
| 72 |
+
_pdbx_database_status.status_code_sf REL
|
| 73 |
+
_pdbx_database_status.status_code_mr ?
|
| 74 |
+
_pdbx_database_status.SG_entry ?
|
| 75 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 76 |
+
_pdbx_database_status.status_code_cs ?
|
| 77 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 78 |
+
_pdbx_database_status.methods_development_category ?
|
| 79 |
+
#
|
| 80 |
+
loop_
|
| 81 |
+
_audit_author.name
|
| 82 |
+
_audit_author.pdbx_ordinal
|
| 83 |
+
'Horton, N.C.' 1
|
| 84 |
+
'Finzel, B.C.' 2
|
| 85 |
+
#
|
| 86 |
+
_citation.id primary
|
| 87 |
+
_citation.title
|
| 88 |
+
'The structure of an RNA/DNA hybrid: a substrate of the ribonuclease activity of HIV-1 reverse transcriptase.'
|
| 89 |
+
_citation.journal_abbrev J.Mol.Biol.
|
| 90 |
+
_citation.journal_volume 264
|
| 91 |
+
_citation.page_first 521
|
| 92 |
+
_citation.page_last 533
|
| 93 |
+
_citation.year 1996
|
| 94 |
+
_citation.journal_id_ASTM JMOBAK
|
| 95 |
+
_citation.country UK
|
| 96 |
+
_citation.journal_id_ISSN 0022-2836
|
| 97 |
+
_citation.journal_id_CSD 0070
|
| 98 |
+
_citation.book_publisher ?
|
| 99 |
+
_citation.pdbx_database_id_PubMed 8969302
|
| 100 |
+
_citation.pdbx_database_id_DOI 10.1006/jmbi.1996.0658
|
| 101 |
+
#
|
| 102 |
+
loop_
|
| 103 |
+
_citation_author.citation_id
|
| 104 |
+
_citation_author.name
|
| 105 |
+
_citation_author.ordinal
|
| 106 |
+
_citation_author.identifier_ORCID
|
| 107 |
+
primary 'Horton, N.C.' 1 ?
|
| 108 |
+
primary 'Finzel, B.C.' 2 ?
|
| 109 |
+
#
|
| 110 |
+
loop_
|
| 111 |
+
_entity.id
|
| 112 |
+
_entity.type
|
| 113 |
+
_entity.src_method
|
| 114 |
+
_entity.pdbx_description
|
| 115 |
+
_entity.formula_weight
|
| 116 |
+
_entity.pdbx_number_of_molecules
|
| 117 |
+
_entity.pdbx_ec
|
| 118 |
+
_entity.pdbx_mutation
|
| 119 |
+
_entity.pdbx_fragment
|
| 120 |
+
_entity.details
|
| 121 |
+
1 polymer syn
|
| 122 |
+
;RNA (5'-R(*UP*UP*CP*GP*GP*GP*CP*GP*CP*C)-3')
|
| 123 |
+
;
|
| 124 |
+
3168.925 1 ? ? ? ?
|
| 125 |
+
2 polymer syn
|
| 126 |
+
;DNA (5'-D(*GP*GP*CP*GP*CP*CP*CP*GP*AP*A)-3')
|
| 127 |
+
;
|
| 128 |
+
3055.006 1 ? ? ? ?
|
| 129 |
+
3 water nat water 18.015 72 ? ? ? ?
|
| 130 |
+
#
|
| 131 |
+
loop_
|
| 132 |
+
_entity_poly.entity_id
|
| 133 |
+
_entity_poly.type
|
| 134 |
+
_entity_poly.nstd_linkage
|
| 135 |
+
_entity_poly.nstd_monomer
|
| 136 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 137 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 138 |
+
_entity_poly.pdbx_strand_id
|
| 139 |
+
_entity_poly.pdbx_target_identifier
|
| 140 |
+
1 polyribonucleotide no no UUCGGGCGCC UUCGGGCGCC A ?
|
| 141 |
+
2 polydeoxyribonucleotide no no '(DG)(DG)(DC)(DG)(DC)(DC)(DC)(DG)(DA)(DA)' GGCGCCCGAA B ?
|
| 142 |
+
#
|
| 143 |
+
_pdbx_entity_nonpoly.entity_id 3
|
| 144 |
+
_pdbx_entity_nonpoly.name water
|
| 145 |
+
_pdbx_entity_nonpoly.comp_id HOH
|
| 146 |
+
#
|
| 147 |
+
loop_
|
| 148 |
+
_entity_poly_seq.entity_id
|
| 149 |
+
_entity_poly_seq.num
|
| 150 |
+
_entity_poly_seq.mon_id
|
| 151 |
+
_entity_poly_seq.hetero
|
| 152 |
+
1 1 U n
|
| 153 |
+
1 2 U n
|
| 154 |
+
1 3 C n
|
| 155 |
+
1 4 G n
|
| 156 |
+
1 5 G n
|
| 157 |
+
1 6 G n
|
| 158 |
+
1 7 C n
|
| 159 |
+
1 8 G n
|
| 160 |
+
1 9 C n
|
| 161 |
+
1 10 C n
|
| 162 |
+
2 1 DG n
|
| 163 |
+
2 2 DG n
|
| 164 |
+
2 3 DC n
|
| 165 |
+
2 4 DG n
|
| 166 |
+
2 5 DC n
|
| 167 |
+
2 6 DC n
|
| 168 |
+
2 7 DC n
|
| 169 |
+
2 8 DG n
|
| 170 |
+
2 9 DA n
|
| 171 |
+
2 10 DA n
|
| 172 |
+
#
|
| 173 |
+
loop_
|
| 174 |
+
_chem_comp.id
|
| 175 |
+
_chem_comp.type
|
| 176 |
+
_chem_comp.mon_nstd_flag
|
| 177 |
+
_chem_comp.name
|
| 178 |
+
_chem_comp.pdbx_synonyms
|
| 179 |
+
_chem_comp.formula
|
| 180 |
+
_chem_comp.formula_weight
|
| 181 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 182 |
+
DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
|
| 183 |
+
DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
|
| 184 |
+
DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 185 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 186 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 187 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 188 |
+
#
|
| 189 |
+
loop_
|
| 190 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 191 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 192 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 193 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 194 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 195 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 196 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 197 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 198 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 199 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 200 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 201 |
+
_pdbx_poly_seq_scheme.hetero
|
| 202 |
+
A 1 1 U 1 1 1 U U A . n
|
| 203 |
+
A 1 2 U 2 2 2 U U A . n
|
| 204 |
+
A 1 3 C 3 3 3 C C A . n
|
| 205 |
+
A 1 4 G 4 4 4 G G A . n
|
| 206 |
+
A 1 5 G 5 5 5 G G A . n
|
| 207 |
+
A 1 6 G 6 6 6 G G A . n
|
| 208 |
+
A 1 7 C 7 7 7 C C A . n
|
| 209 |
+
A 1 8 G 8 8 8 G G A . n
|
| 210 |
+
A 1 9 C 9 9 9 C C A . n
|
| 211 |
+
A 1 10 C 10 10 10 C C A . n
|
| 212 |
+
B 2 1 DG 1 11 11 DG G B . n
|
| 213 |
+
B 2 2 DG 2 12 12 DG G B . n
|
| 214 |
+
B 2 3 DC 3 13 13 DC C B . n
|
| 215 |
+
B 2 4 DG 4 14 14 DG G B . n
|
| 216 |
+
B 2 5 DC 5 15 15 DC C B . n
|
| 217 |
+
B 2 6 DC 6 16 16 DC C B . n
|
| 218 |
+
B 2 7 DC 7 17 17 DC C B . n
|
| 219 |
+
B 2 8 DG 8 18 18 DG G B . n
|
| 220 |
+
B 2 9 DA 9 19 19 DA A B . n
|
| 221 |
+
B 2 10 DA 10 20 20 DA A B . n
|
| 222 |
+
#
|
| 223 |
+
loop_
|
| 224 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 225 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 226 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 227 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 228 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 229 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 230 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 231 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 232 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 233 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 234 |
+
C 3 HOH 1 21 21 HOH HOH A .
|
| 235 |
+
C 3 HOH 2 22 22 HOH HOH A .
|
| 236 |
+
C 3 HOH 3 23 23 HOH HOH A .
|
| 237 |
+
C 3 HOH 4 24 24 HOH HOH A .
|
| 238 |
+
C 3 HOH 5 25 25 HOH HOH A .
|
| 239 |
+
C 3 HOH 6 26 26 HOH HOH A .
|
| 240 |
+
C 3 HOH 7 27 27 HOH HOH A .
|
| 241 |
+
C 3 HOH 8 28 28 HOH HOH A .
|
| 242 |
+
C 3 HOH 9 29 29 HOH HOH A .
|
| 243 |
+
C 3 HOH 10 31 31 HOH HOH A .
|
| 244 |
+
C 3 HOH 11 32 32 HOH HOH A .
|
| 245 |
+
C 3 HOH 12 33 33 HOH HOH A .
|
| 246 |
+
C 3 HOH 13 34 34 HOH HOH A .
|
| 247 |
+
C 3 HOH 14 35 35 HOH HOH A .
|
| 248 |
+
C 3 HOH 15 36 36 HOH HOH A .
|
| 249 |
+
C 3 HOH 16 37 37 HOH HOH A .
|
| 250 |
+
C 3 HOH 17 38 38 HOH HOH A .
|
| 251 |
+
C 3 HOH 18 40 40 HOH HOH A .
|
| 252 |
+
C 3 HOH 19 41 41 HOH HOH A .
|
| 253 |
+
C 3 HOH 20 54 54 HOH HOH A .
|
| 254 |
+
C 3 HOH 21 56 56 HOH HOH A .
|
| 255 |
+
C 3 HOH 22 58 58 HOH HOH A .
|
| 256 |
+
C 3 HOH 23 59 59 HOH HOH A .
|
| 257 |
+
C 3 HOH 24 60 60 HOH HOH A .
|
| 258 |
+
C 3 HOH 25 61 61 HOH HOH A .
|
| 259 |
+
C 3 HOH 26 62 62 HOH HOH A .
|
| 260 |
+
C 3 HOH 27 64 64 HOH HOH A .
|
| 261 |
+
C 3 HOH 28 68 68 HOH HOH A .
|
| 262 |
+
C 3 HOH 29 71 71 HOH HOH A .
|
| 263 |
+
C 3 HOH 30 72 72 HOH HOH A .
|
| 264 |
+
C 3 HOH 31 73 73 HOH HOH A .
|
| 265 |
+
C 3 HOH 32 75 75 HOH HOH A .
|
| 266 |
+
C 3 HOH 33 76 76 HOH HOH A .
|
| 267 |
+
C 3 HOH 34 78 78 HOH HOH A .
|
| 268 |
+
C 3 HOH 35 80 80 HOH HOH A .
|
| 269 |
+
C 3 HOH 36 82 82 HOH HOH A .
|
| 270 |
+
C 3 HOH 37 83 83 HOH HOH A .
|
| 271 |
+
C 3 HOH 38 84 84 HOH HOH A .
|
| 272 |
+
C 3 HOH 39 85 85 HOH HOH A .
|
| 273 |
+
C 3 HOH 40 86 86 HOH HOH A .
|
| 274 |
+
C 3 HOH 41 88 88 HOH HOH A .
|
| 275 |
+
C 3 HOH 42 89 89 HOH HOH A .
|
| 276 |
+
C 3 HOH 43 90 90 HOH HOH A .
|
| 277 |
+
C 3 HOH 44 91 91 HOH HOH A .
|
| 278 |
+
C 3 HOH 45 92 92 HOH HOH A .
|
| 279 |
+
D 3 HOH 1 30 30 HOH HOH B .
|
| 280 |
+
D 3 HOH 2 39 39 HOH HOH B .
|
| 281 |
+
D 3 HOH 3 42 42 HOH HOH B .
|
| 282 |
+
D 3 HOH 4 43 43 HOH HOH B .
|
| 283 |
+
D 3 HOH 5 44 44 HOH HOH B .
|
| 284 |
+
D 3 HOH 6 45 45 HOH HOH B .
|
| 285 |
+
D 3 HOH 7 46 46 HOH HOH B .
|
| 286 |
+
D 3 HOH 8 47 47 HOH HOH B .
|
| 287 |
+
D 3 HOH 9 48 48 HOH HOH B .
|
| 288 |
+
D 3 HOH 10 49 49 HOH HOH B .
|
| 289 |
+
D 3 HOH 11 50 50 HOH HOH B .
|
| 290 |
+
D 3 HOH 12 51 51 HOH HOH B .
|
| 291 |
+
D 3 HOH 13 52 52 HOH HOH B .
|
| 292 |
+
D 3 HOH 14 53 53 HOH HOH B .
|
| 293 |
+
D 3 HOH 15 55 55 HOH HOH B .
|
| 294 |
+
D 3 HOH 16 57 57 HOH HOH B .
|
| 295 |
+
D 3 HOH 17 63 63 HOH HOH B .
|
| 296 |
+
D 3 HOH 18 65 65 HOH HOH B .
|
| 297 |
+
D 3 HOH 19 66 66 HOH HOH B .
|
| 298 |
+
D 3 HOH 20 67 67 HOH HOH B .
|
| 299 |
+
D 3 HOH 21 69 69 HOH HOH B .
|
| 300 |
+
D 3 HOH 22 70 70 HOH HOH B .
|
| 301 |
+
D 3 HOH 23 74 74 HOH HOH B .
|
| 302 |
+
D 3 HOH 24 77 77 HOH HOH B .
|
| 303 |
+
D 3 HOH 25 79 79 HOH HOH B .
|
| 304 |
+
D 3 HOH 26 81 81 HOH HOH B .
|
| 305 |
+
D 3 HOH 27 87 87 HOH HOH B .
|
| 306 |
+
#
|
| 307 |
+
loop_
|
| 308 |
+
_software.name
|
| 309 |
+
_software.classification
|
| 310 |
+
_software.version
|
| 311 |
+
_software.citation_id
|
| 312 |
+
_software.pdbx_ordinal
|
| 313 |
+
XTAL 'model building' . ? 1
|
| 314 |
+
X-PLOR refinement . ? 2
|
| 315 |
+
XENGEN 'data reduction' . ? 3
|
| 316 |
+
XENGEN 'data scaling' . ? 4
|
| 317 |
+
XTAL phasing . ? 5
|
| 318 |
+
#
|
| 319 |
+
_cell.entry_id 1FIX
|
| 320 |
+
_cell.length_a 31.300
|
| 321 |
+
_cell.length_b 31.300
|
| 322 |
+
_cell.length_c 137.700
|
| 323 |
+
_cell.angle_alpha 90.00
|
| 324 |
+
_cell.angle_beta 90.00
|
| 325 |
+
_cell.angle_gamma 90.00
|
| 326 |
+
_cell.Z_PDB 8
|
| 327 |
+
_cell.pdbx_unique_axis ?
|
| 328 |
+
_cell.length_a_esd ?
|
| 329 |
+
_cell.length_b_esd ?
|
| 330 |
+
_cell.length_c_esd ?
|
| 331 |
+
_cell.angle_alpha_esd ?
|
| 332 |
+
_cell.angle_beta_esd ?
|
| 333 |
+
_cell.angle_gamma_esd ?
|
| 334 |
+
#
|
| 335 |
+
_symmetry.entry_id 1FIX
|
| 336 |
+
_symmetry.space_group_name_H-M 'P 43 2 2'
|
| 337 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 338 |
+
_symmetry.cell_setting ?
|
| 339 |
+
_symmetry.Int_Tables_number 95
|
| 340 |
+
_symmetry.space_group_name_Hall ?
|
| 341 |
+
#
|
| 342 |
+
_exptl.entry_id 1FIX
|
| 343 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 344 |
+
_exptl.crystals_number 1
|
| 345 |
+
#
|
| 346 |
+
_exptl_crystal.id 1
|
| 347 |
+
_exptl_crystal.density_meas ?
|
| 348 |
+
_exptl_crystal.density_Matthews 2.64
|
| 349 |
+
_exptl_crystal.density_percent_sol 46.5000
|
| 350 |
+
_exptl_crystal.description ?
|
| 351 |
+
_exptl_crystal.F_000 ?
|
| 352 |
+
_exptl_crystal.preparation ?
|
| 353 |
+
#
|
| 354 |
+
_exptl_crystal_grow.crystal_id 1
|
| 355 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 356 |
+
_exptl_crystal_grow.temp ?
|
| 357 |
+
_exptl_crystal_grow.temp_details 'ROOM TEMPERATURE'
|
| 358 |
+
_exptl_crystal_grow.pH 4.50
|
| 359 |
+
_exptl_crystal_grow.pdbx_details 'pH 4.50, VAPOR DIFFUSION, HANGING DROP'
|
| 360 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 361 |
+
#
|
| 362 |
+
loop_
|
| 363 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 364 |
+
_exptl_crystal_grow_comp.id
|
| 365 |
+
_exptl_crystal_grow_comp.sol_id
|
| 366 |
+
_exptl_crystal_grow_comp.name
|
| 367 |
+
_exptl_crystal_grow_comp.volume
|
| 368 |
+
_exptl_crystal_grow_comp.conc
|
| 369 |
+
_exptl_crystal_grow_comp.details
|
| 370 |
+
1 1 1 WATER ? ? ?
|
| 371 |
+
1 2 1 MPD ? ? ?
|
| 372 |
+
1 3 1 CACL2 ? ? ?
|
| 373 |
+
1 4 1 'NA ACETATE' ? ? ?
|
| 374 |
+
#
|
| 375 |
+
_diffrn.id 1
|
| 376 |
+
_diffrn.ambient_temp ?
|
| 377 |
+
_diffrn.ambient_temp_details 'ROOM TEMPERATURE'
|
| 378 |
+
_diffrn.crystal_id 1
|
| 379 |
+
#
|
| 380 |
+
_diffrn_detector.diffrn_id 1
|
| 381 |
+
_diffrn_detector.detector 'AREA DETECTOR'
|
| 382 |
+
_diffrn_detector.type SIEMENS
|
| 383 |
+
_diffrn_detector.pdbx_collection_date 1994-10-01
|
| 384 |
+
_diffrn_detector.details ?
|
| 385 |
+
#
|
| 386 |
+
_diffrn_radiation.diffrn_id 1
|
| 387 |
+
_diffrn_radiation.wavelength_id 1
|
| 388 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 389 |
+
_diffrn_radiation.monochromator ?
|
| 390 |
+
_diffrn_radiation.pdbx_diffrn_protocol ?
|
| 391 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 392 |
+
#
|
| 393 |
+
_diffrn_radiation_wavelength.id 1
|
| 394 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 395 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 396 |
+
#
|
| 397 |
+
_diffrn_source.diffrn_id 1
|
| 398 |
+
_diffrn_source.source ?
|
| 399 |
+
_diffrn_source.type ?
|
| 400 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 401 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 402 |
+
_diffrn_source.pdbx_wavelength ?
|
| 403 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 404 |
+
#
|
| 405 |
+
_reflns.entry_id 1FIX
|
| 406 |
+
_reflns.observed_criterion_sigma_I 2.000
|
| 407 |
+
_reflns.observed_criterion_sigma_F ?
|
| 408 |
+
_reflns.d_resolution_low 5.000
|
| 409 |
+
_reflns.d_resolution_high 2.300
|
| 410 |
+
_reflns.number_obs 3315
|
| 411 |
+
_reflns.number_all 20393
|
| 412 |
+
_reflns.percent_possible_obs 94.400
|
| 413 |
+
_reflns.pdbx_Rmerge_I_obs 0.0810000
|
| 414 |
+
_reflns.pdbx_Rsym_value 0.0810000
|
| 415 |
+
_reflns.pdbx_netI_over_sigmaI ?
|
| 416 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 417 |
+
_reflns.pdbx_redundancy ?
|
| 418 |
+
_reflns.R_free_details ?
|
| 419 |
+
_reflns.pdbx_chi_squared ?
|
| 420 |
+
_reflns.pdbx_scaling_rejects ?
|
| 421 |
+
_reflns.pdbx_diffrn_id 1
|
| 422 |
+
_reflns.pdbx_ordinal 1
|
| 423 |
+
#
|
| 424 |
+
_refine.entry_id 1FIX
|
| 425 |
+
_refine.ls_number_reflns_obs 2457
|
| 426 |
+
_refine.ls_number_reflns_all ?
|
| 427 |
+
_refine.pdbx_ls_sigma_I ?
|
| 428 |
+
_refine.pdbx_ls_sigma_F 2.000
|
| 429 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 430 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 431 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 432 |
+
_refine.ls_d_res_low 5.000
|
| 433 |
+
_refine.ls_d_res_high 2.300
|
| 434 |
+
_refine.ls_percent_reflns_obs 80.000
|
| 435 |
+
_refine.ls_R_factor_obs 0.1450000
|
| 436 |
+
_refine.ls_R_factor_all ?
|
| 437 |
+
_refine.ls_R_factor_R_work 0.1450000
|
| 438 |
+
_refine.ls_R_factor_R_free ?
|
| 439 |
+
_refine.ls_R_factor_R_free_error ?
|
| 440 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 441 |
+
_refine.ls_percent_reflns_R_free ?
|
| 442 |
+
_refine.ls_number_reflns_R_free ?
|
| 443 |
+
_refine.ls_number_parameters ?
|
| 444 |
+
_refine.ls_number_restraints ?
|
| 445 |
+
_refine.occupancy_min ?
|
| 446 |
+
_refine.occupancy_max ?
|
| 447 |
+
_refine.B_iso_mean ?
|
| 448 |
+
_refine.aniso_B[1][1] ?
|
| 449 |
+
_refine.aniso_B[2][2] ?
|
| 450 |
+
_refine.aniso_B[3][3] ?
|
| 451 |
+
_refine.aniso_B[1][2] ?
|
| 452 |
+
_refine.aniso_B[1][3] ?
|
| 453 |
+
_refine.aniso_B[2][3] ?
|
| 454 |
+
_refine.solvent_model_details ?
|
| 455 |
+
_refine.solvent_model_param_ksol ?
|
| 456 |
+
_refine.solvent_model_param_bsol ?
|
| 457 |
+
_refine.pdbx_ls_cross_valid_method ?
|
| 458 |
+
_refine.details
|
| 459 |
+
'NUCLEIC ACID RNA-DNA PARAMETER FILE: G. PARKINSON,ET AL. (1996) ACTA CRYST. D52, 57-64'
|
| 460 |
+
_refine.pdbx_starting_model 'A-FORM DUPLEX'
|
| 461 |
+
_refine.pdbx_method_to_determine_struct MIR
|
| 462 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 463 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 464 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 465 |
+
_refine.pdbx_R_Free_selection_details ?
|
| 466 |
+
_refine.pdbx_overall_ESU_R ?
|
| 467 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 468 |
+
_refine.overall_SU_ML ?
|
| 469 |
+
_refine.overall_SU_B ?
|
| 470 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 471 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 472 |
+
_refine.pdbx_overall_phase_error ?
|
| 473 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 474 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 475 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 476 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 477 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 478 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 479 |
+
_refine.overall_SU_R_free ?
|
| 480 |
+
_refine.ls_wR_factor_R_free ?
|
| 481 |
+
_refine.ls_wR_factor_R_work ?
|
| 482 |
+
_refine.overall_FOM_free_R_set ?
|
| 483 |
+
_refine.overall_FOM_work_R_set ?
|
| 484 |
+
_refine.pdbx_diffrn_id 1
|
| 485 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 486 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 487 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 488 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 489 |
+
#
|
| 490 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 491 |
+
_refine_hist.cycle_id LAST
|
| 492 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 493 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 412
|
| 494 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 495 |
+
_refine_hist.number_atoms_solvent 72
|
| 496 |
+
_refine_hist.number_atoms_total 484
|
| 497 |
+
_refine_hist.d_res_high 2.300
|
| 498 |
+
_refine_hist.d_res_low 5.000
|
| 499 |
+
#
|
| 500 |
+
loop_
|
| 501 |
+
_refine_ls_restr.type
|
| 502 |
+
_refine_ls_restr.dev_ideal
|
| 503 |
+
_refine_ls_restr.dev_ideal_target
|
| 504 |
+
_refine_ls_restr.weight
|
| 505 |
+
_refine_ls_restr.number
|
| 506 |
+
_refine_ls_restr.pdbx_refine_id
|
| 507 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 508 |
+
x_bond_d 0.019 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 509 |
+
x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 510 |
+
x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 511 |
+
x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 512 |
+
x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 513 |
+
x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 514 |
+
x_angle_deg 2.20 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 515 |
+
x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 516 |
+
x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 517 |
+
x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 518 |
+
x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 519 |
+
x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 520 |
+
x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 521 |
+
x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 522 |
+
x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 523 |
+
x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 524 |
+
x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 525 |
+
x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 526 |
+
x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 527 |
+
#
|
| 528 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used 8
|
| 529 |
+
_refine_ls_shell.d_res_high 2.30
|
| 530 |
+
_refine_ls_shell.d_res_low 2.39
|
| 531 |
+
_refine_ls_shell.number_reflns_R_work 117
|
| 532 |
+
_refine_ls_shell.R_factor_R_work 0.2720000
|
| 533 |
+
_refine_ls_shell.percent_reflns_obs 30.00
|
| 534 |
+
_refine_ls_shell.R_factor_R_free ?
|
| 535 |
+
_refine_ls_shell.R_factor_R_free_error ?
|
| 536 |
+
_refine_ls_shell.percent_reflns_R_free ?
|
| 537 |
+
_refine_ls_shell.number_reflns_R_free ?
|
| 538 |
+
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 539 |
+
_refine_ls_shell.redundancy_reflns_obs ?
|
| 540 |
+
_refine_ls_shell.number_reflns_all ?
|
| 541 |
+
_refine_ls_shell.number_reflns_obs ?
|
| 542 |
+
_refine_ls_shell.R_factor_all ?
|
| 543 |
+
#
|
| 544 |
+
_database_PDB_matrix.entry_id 1FIX
|
| 545 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 546 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 547 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 548 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 549 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 550 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 551 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 552 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 553 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 554 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 555 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 556 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 557 |
+
#
|
| 558 |
+
_struct.entry_id 1FIX
|
| 559 |
+
_struct.title
|
| 560 |
+
'THE STRUCTURE OF AN RNA/DNA HYBRID: A SUBSTRATE OF THE RIBONUCLEASE ACTIVITY OF HIV-1 REVERSE TRANSCRIPTASE'
|
| 561 |
+
_struct.pdbx_model_details ?
|
| 562 |
+
_struct.pdbx_CASP_flag ?
|
| 563 |
+
_struct.pdbx_model_type_details ?
|
| 564 |
+
#
|
| 565 |
+
_struct_keywords.entry_id 1FIX
|
| 566 |
+
_struct_keywords.pdbx_keywords 'DNA-RNA HYBRID'
|
| 567 |
+
_struct_keywords.text 'RIGHT HANDED DNA/RNA HYBRID, DOUBLE HELIX, HIV-1 PRIMER BINDING SITE, DNA-RNA HYBRID'
|
| 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 3 ?
|
| 579 |
+
#
|
| 580 |
+
loop_
|
| 581 |
+
_struct_ref.id
|
| 582 |
+
_struct_ref.entity_id
|
| 583 |
+
_struct_ref.db_name
|
| 584 |
+
_struct_ref.db_code
|
| 585 |
+
_struct_ref.pdbx_db_accession
|
| 586 |
+
_struct_ref.pdbx_align_begin
|
| 587 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 588 |
+
_struct_ref.pdbx_db_isoform
|
| 589 |
+
1 1 PDB 1FIX 1FIX ? ? ?
|
| 590 |
+
2 2 PDB 1FIX 1FIX ? ? ?
|
| 591 |
+
#
|
| 592 |
+
loop_
|
| 593 |
+
_struct_ref_seq.align_id
|
| 594 |
+
_struct_ref_seq.ref_id
|
| 595 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 596 |
+
_struct_ref_seq.pdbx_strand_id
|
| 597 |
+
_struct_ref_seq.seq_align_beg
|
| 598 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 599 |
+
_struct_ref_seq.seq_align_end
|
| 600 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 601 |
+
_struct_ref_seq.pdbx_db_accession
|
| 602 |
+
_struct_ref_seq.db_align_beg
|
| 603 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 604 |
+
_struct_ref_seq.db_align_end
|
| 605 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 606 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 607 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 608 |
+
1 1 1FIX A 1 ? 10 ? 1FIX 1 ? 10 ? 1 10
|
| 609 |
+
2 2 1FIX B 1 ? 10 ? 1FIX 11 ? 20 ? 11 20
|
| 610 |
+
#
|
| 611 |
+
_pdbx_struct_assembly.id 1
|
| 612 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 613 |
+
_pdbx_struct_assembly.method_details ?
|
| 614 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 615 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 616 |
+
#
|
| 617 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 618 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 619 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
|
| 620 |
+
#
|
| 621 |
+
_pdbx_struct_oper_list.id 1
|
| 622 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 623 |
+
_pdbx_struct_oper_list.name 1_555
|
| 624 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 625 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 626 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 627 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 628 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 629 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 630 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 631 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 632 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 633 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 634 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 635 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 636 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 637 |
+
#
|
| 638 |
+
_struct_biol.id 1
|
| 639 |
+
_struct_biol.details ?
|
| 640 |
+
#
|
| 641 |
+
loop_
|
| 642 |
+
_struct_conn.id
|
| 643 |
+
_struct_conn.conn_type_id
|
| 644 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 645 |
+
_struct_conn.pdbx_PDB_id
|
| 646 |
+
_struct_conn.ptnr1_label_asym_id
|
| 647 |
+
_struct_conn.ptnr1_label_comp_id
|
| 648 |
+
_struct_conn.ptnr1_label_seq_id
|
| 649 |
+
_struct_conn.ptnr1_label_atom_id
|
| 650 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 651 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 652 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 653 |
+
_struct_conn.ptnr1_symmetry
|
| 654 |
+
_struct_conn.ptnr2_label_asym_id
|
| 655 |
+
_struct_conn.ptnr2_label_comp_id
|
| 656 |
+
_struct_conn.ptnr2_label_seq_id
|
| 657 |
+
_struct_conn.ptnr2_label_atom_id
|
| 658 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 659 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 660 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 661 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 662 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 663 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 664 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 665 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 666 |
+
_struct_conn.ptnr2_symmetry
|
| 667 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 668 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 669 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 670 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 671 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 672 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 673 |
+
_struct_conn.details
|
| 674 |
+
_struct_conn.pdbx_dist_value
|
| 675 |
+
_struct_conn.pdbx_value_order
|
| 676 |
+
_struct_conn.pdbx_role
|
| 677 |
+
hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 B DA 10 N1 ? ? A U 1 B DA 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 678 |
+
hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 B DA 10 N6 ? ? A U 1 B DA 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 679 |
+
hydrog3 hydrog ? ? A U 2 N3 ? ? ? 1_555 B DA 9 N1 ? ? A U 2 B DA 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 680 |
+
hydrog4 hydrog ? ? A U 2 O4 ? ? ? 1_555 B DA 9 N6 ? ? A U 2 B DA 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 681 |
+
hydrog5 hydrog ? ? A C 3 N3 ? ? ? 1_555 B DG 8 N1 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 682 |
+
hydrog6 hydrog ? ? A C 3 N4 ? ? ? 1_555 B DG 8 O6 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 683 |
+
hydrog7 hydrog ? ? A C 3 O2 ? ? ? 1_555 B DG 8 N2 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 684 |
+
hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 B DC 7 N3 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 685 |
+
hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 B DC 7 O2 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 686 |
+
hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 B DC 7 N4 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 687 |
+
hydrog11 hydrog ? ? A G 5 N1 ? ? ? 1_555 B DC 6 N3 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 688 |
+
hydrog12 hydrog ? ? A G 5 N2 ? ? ? 1_555 B DC 6 O2 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 689 |
+
hydrog13 hydrog ? ? A G 5 O6 ? ? ? 1_555 B DC 6 N4 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 690 |
+
hydrog14 hydrog ? ? A G 6 N1 ? ? ? 1_555 B DC 5 N3 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 691 |
+
hydrog15 hydrog ? ? A G 6 N2 ? ? ? 1_555 B DC 5 O2 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 692 |
+
hydrog16 hydrog ? ? A G 6 O6 ? ? ? 1_555 B DC 5 N4 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 693 |
+
hydrog17 hydrog ? ? A C 7 N3 ? ? ? 1_555 B DG 4 N1 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 694 |
+
hydrog18 hydrog ? ? A C 7 N4 ? ? ? 1_555 B DG 4 O6 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 695 |
+
hydrog19 hydrog ? ? A C 7 O2 ? ? ? 1_555 B DG 4 N2 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 696 |
+
hydrog20 hydrog ? ? A G 8 N1 ? ? ? 1_555 B DC 3 N3 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 697 |
+
hydrog21 hydrog ? ? A G 8 N2 ? ? ? 1_555 B DC 3 O2 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 698 |
+
hydrog22 hydrog ? ? A G 8 O6 ? ? ? 1_555 B DC 3 N4 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 699 |
+
hydrog23 hydrog ? ? A C 9 N3 ? ? ? 1_555 B DG 2 N1 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 700 |
+
hydrog24 hydrog ? ? A C 9 N4 ? ? ? 1_555 B DG 2 O6 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 701 |
+
hydrog25 hydrog ? ? A C 9 O2 ? ? ? 1_555 B DG 2 N2 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 702 |
+
hydrog26 hydrog ? ? A C 10 N3 ? ? ? 1_555 B DG 1 N1 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 703 |
+
hydrog27 hydrog ? ? A C 10 N4 ? ? ? 1_555 B DG 1 O6 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 704 |
+
hydrog28 hydrog ? ? A C 10 O2 ? ? ? 1_555 B DG 1 N2 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 705 |
+
#
|
| 706 |
+
_struct_conn_type.id hydrog
|
| 707 |
+
_struct_conn_type.criteria ?
|
| 708 |
+
_struct_conn_type.reference ?
|
| 709 |
+
#
|
| 710 |
+
_pdbx_validate_rmsd_angle.id 1
|
| 711 |
+
_pdbx_validate_rmsd_angle.PDB_model_num 1
|
| 712 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1 "O4'"
|
| 713 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1 B
|
| 714 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1 DC
|
| 715 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1 15
|
| 716 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
|
| 717 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1 ?
|
| 718 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2 "C4'"
|
| 719 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2 B
|
| 720 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2 DC
|
| 721 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2 15
|
| 722 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
|
| 723 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2 ?
|
| 724 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3 "C3'"
|
| 725 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3 B
|
| 726 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3 DC
|
| 727 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3 15
|
| 728 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
|
| 729 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3 ?
|
| 730 |
+
_pdbx_validate_rmsd_angle.angle_value 101.92
|
| 731 |
+
_pdbx_validate_rmsd_angle.angle_target_value 104.50
|
| 732 |
+
_pdbx_validate_rmsd_angle.angle_deviation -2.58
|
| 733 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation 0.40
|
| 734 |
+
_pdbx_validate_rmsd_angle.linker_flag N
|
| 735 |
+
#
|
| 736 |
+
loop_
|
| 737 |
+
_pdbx_validate_planes.id
|
| 738 |
+
_pdbx_validate_planes.PDB_model_num
|
| 739 |
+
_pdbx_validate_planes.auth_comp_id
|
| 740 |
+
_pdbx_validate_planes.auth_asym_id
|
| 741 |
+
_pdbx_validate_planes.auth_seq_id
|
| 742 |
+
_pdbx_validate_planes.PDB_ins_code
|
| 743 |
+
_pdbx_validate_planes.label_alt_id
|
| 744 |
+
_pdbx_validate_planes.rmsd
|
| 745 |
+
_pdbx_validate_planes.type
|
| 746 |
+
1 1 U A 2 ? ? 0.084 'SIDE CHAIN'
|
| 747 |
+
2 1 G A 5 ? ? 0.057 'SIDE CHAIN'
|
| 748 |
+
#
|
| 749 |
+
loop_
|
| 750 |
+
_refine_B_iso.class
|
| 751 |
+
_refine_B_iso.details
|
| 752 |
+
_refine_B_iso.treatment
|
| 753 |
+
_refine_B_iso.pdbx_refine_id
|
| 754 |
+
'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
|
| 755 |
+
'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
|
| 756 |
+
#
|
| 757 |
+
loop_
|
| 758 |
+
_refine_occupancy.class
|
| 759 |
+
_refine_occupancy.treatment
|
| 760 |
+
_refine_occupancy.pdbx_refine_id
|
| 761 |
+
'ALL ATOMS' fix 'X-RAY DIFFRACTION'
|
| 762 |
+
'ALL WATERS' fix 'X-RAY DIFFRACTION'
|
| 763 |
+
#
|
| 764 |
+
loop_
|
| 765 |
+
_chem_comp_atom.comp_id
|
| 766 |
+
_chem_comp_atom.atom_id
|
| 767 |
+
_chem_comp_atom.type_symbol
|
| 768 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 769 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 770 |
+
_chem_comp_atom.pdbx_ordinal
|
| 771 |
+
C OP3 O N N 1
|
| 772 |
+
C P P N N 2
|
| 773 |
+
C OP1 O N N 3
|
| 774 |
+
C OP2 O N N 4
|
| 775 |
+
C "O5'" O N N 5
|
| 776 |
+
C "C5'" C N N 6
|
| 777 |
+
C "C4'" C N R 7
|
| 778 |
+
C "O4'" O N N 8
|
| 779 |
+
C "C3'" C N S 9
|
| 780 |
+
C "O3'" O N N 10
|
| 781 |
+
C "C2'" C N R 11
|
| 782 |
+
C "O2'" O N N 12
|
| 783 |
+
C "C1'" C N R 13
|
| 784 |
+
C N1 N N N 14
|
| 785 |
+
C C2 C N N 15
|
| 786 |
+
C O2 O N N 16
|
| 787 |
+
C N3 N N N 17
|
| 788 |
+
C C4 C N N 18
|
| 789 |
+
C N4 N N N 19
|
| 790 |
+
C C5 C N N 20
|
| 791 |
+
C C6 C N N 21
|
| 792 |
+
C HOP3 H N N 22
|
| 793 |
+
C HOP2 H N N 23
|
| 794 |
+
C "H5'" H N N 24
|
| 795 |
+
C "H5''" H N N 25
|
| 796 |
+
C "H4'" H N N 26
|
| 797 |
+
C "H3'" H N N 27
|
| 798 |
+
C "HO3'" H N N 28
|
| 799 |
+
C "H2'" H N N 29
|
| 800 |
+
C "HO2'" H N N 30
|
| 801 |
+
C "H1'" H N N 31
|
| 802 |
+
C H41 H N N 32
|
| 803 |
+
C H42 H N N 33
|
| 804 |
+
C H5 H N N 34
|
| 805 |
+
C H6 H N N 35
|
| 806 |
+
DA OP3 O N N 36
|
| 807 |
+
DA P P N N 37
|
| 808 |
+
DA OP1 O N N 38
|
| 809 |
+
DA OP2 O N N 39
|
| 810 |
+
DA "O5'" O N N 40
|
| 811 |
+
DA "C5'" C N N 41
|
| 812 |
+
DA "C4'" C N R 42
|
| 813 |
+
DA "O4'" O N N 43
|
| 814 |
+
DA "C3'" C N S 44
|
| 815 |
+
DA "O3'" O N N 45
|
| 816 |
+
DA "C2'" C N N 46
|
| 817 |
+
DA "C1'" C N R 47
|
| 818 |
+
DA N9 N Y N 48
|
| 819 |
+
DA C8 C Y N 49
|
| 820 |
+
DA N7 N Y N 50
|
| 821 |
+
DA C5 C Y N 51
|
| 822 |
+
DA C6 C Y N 52
|
| 823 |
+
DA N6 N N N 53
|
| 824 |
+
DA N1 N Y N 54
|
| 825 |
+
DA C2 C Y N 55
|
| 826 |
+
DA N3 N Y N 56
|
| 827 |
+
DA C4 C Y N 57
|
| 828 |
+
DA HOP3 H N N 58
|
| 829 |
+
DA HOP2 H N N 59
|
| 830 |
+
DA "H5'" H N N 60
|
| 831 |
+
DA "H5''" H N N 61
|
| 832 |
+
DA "H4'" H N N 62
|
| 833 |
+
DA "H3'" H N N 63
|
| 834 |
+
DA "HO3'" H N N 64
|
| 835 |
+
DA "H2'" H N N 65
|
| 836 |
+
DA "H2''" H N N 66
|
| 837 |
+
DA "H1'" H N N 67
|
| 838 |
+
DA H8 H N N 68
|
| 839 |
+
DA H61 H N N 69
|
| 840 |
+
DA H62 H N N 70
|
| 841 |
+
DA H2 H N N 71
|
| 842 |
+
DC OP3 O N N 72
|
| 843 |
+
DC P P N N 73
|
| 844 |
+
DC OP1 O N N 74
|
| 845 |
+
DC OP2 O N N 75
|
| 846 |
+
DC "O5'" O N N 76
|
| 847 |
+
DC "C5'" C N N 77
|
| 848 |
+
DC "C4'" C N R 78
|
| 849 |
+
DC "O4'" O N N 79
|
| 850 |
+
DC "C3'" C N S 80
|
| 851 |
+
DC "O3'" O N N 81
|
| 852 |
+
DC "C2'" C N N 82
|
| 853 |
+
DC "C1'" C N R 83
|
| 854 |
+
DC N1 N N N 84
|
| 855 |
+
DC C2 C N N 85
|
| 856 |
+
DC O2 O N N 86
|
| 857 |
+
DC N3 N N N 87
|
| 858 |
+
DC C4 C N N 88
|
| 859 |
+
DC N4 N N N 89
|
| 860 |
+
DC C5 C N N 90
|
| 861 |
+
DC C6 C N N 91
|
| 862 |
+
DC HOP3 H N N 92
|
| 863 |
+
DC HOP2 H N N 93
|
| 864 |
+
DC "H5'" H N N 94
|
| 865 |
+
DC "H5''" H N N 95
|
| 866 |
+
DC "H4'" H N N 96
|
| 867 |
+
DC "H3'" H N N 97
|
| 868 |
+
DC "HO3'" H N N 98
|
| 869 |
+
DC "H2'" H N N 99
|
| 870 |
+
DC "H2''" H N N 100
|
| 871 |
+
DC "H1'" H N N 101
|
| 872 |
+
DC H41 H N N 102
|
| 873 |
+
DC H42 H N N 103
|
| 874 |
+
DC H5 H N N 104
|
| 875 |
+
DC H6 H N N 105
|
| 876 |
+
DG OP3 O N N 106
|
| 877 |
+
DG P P N N 107
|
| 878 |
+
DG OP1 O N N 108
|
| 879 |
+
DG OP2 O N N 109
|
| 880 |
+
DG "O5'" O N N 110
|
| 881 |
+
DG "C5'" C N N 111
|
| 882 |
+
DG "C4'" C N R 112
|
| 883 |
+
DG "O4'" O N N 113
|
| 884 |
+
DG "C3'" C N S 114
|
| 885 |
+
DG "O3'" O N N 115
|
| 886 |
+
DG "C2'" C N N 116
|
| 887 |
+
DG "C1'" C N R 117
|
| 888 |
+
DG N9 N Y N 118
|
| 889 |
+
DG C8 C Y N 119
|
| 890 |
+
DG N7 N Y N 120
|
| 891 |
+
DG C5 C Y N 121
|
| 892 |
+
DG C6 C N N 122
|
| 893 |
+
DG O6 O N N 123
|
| 894 |
+
DG N1 N N N 124
|
| 895 |
+
DG C2 C N N 125
|
| 896 |
+
DG N2 N N N 126
|
| 897 |
+
DG N3 N N N 127
|
| 898 |
+
DG C4 C Y N 128
|
| 899 |
+
DG HOP3 H N N 129
|
| 900 |
+
DG HOP2 H N N 130
|
| 901 |
+
DG "H5'" H N N 131
|
| 902 |
+
DG "H5''" H N N 132
|
| 903 |
+
DG "H4'" H N N 133
|
| 904 |
+
DG "H3'" H N N 134
|
| 905 |
+
DG "HO3'" H N N 135
|
| 906 |
+
DG "H2'" H N N 136
|
| 907 |
+
DG "H2''" H N N 137
|
| 908 |
+
DG "H1'" H N N 138
|
| 909 |
+
DG H8 H N N 139
|
| 910 |
+
DG H1 H N N 140
|
| 911 |
+
DG H21 H N N 141
|
| 912 |
+
DG H22 H N N 142
|
| 913 |
+
G OP3 O N N 143
|
| 914 |
+
G P P N N 144
|
| 915 |
+
G OP1 O N N 145
|
| 916 |
+
G OP2 O N N 146
|
| 917 |
+
G "O5'" O N N 147
|
| 918 |
+
G "C5'" C N N 148
|
| 919 |
+
G "C4'" C N R 149
|
| 920 |
+
G "O4'" O N N 150
|
| 921 |
+
G "C3'" C N S 151
|
| 922 |
+
G "O3'" O N N 152
|
| 923 |
+
G "C2'" C N R 153
|
| 924 |
+
G "O2'" O N N 154
|
| 925 |
+
G "C1'" C N R 155
|
| 926 |
+
G N9 N Y N 156
|
| 927 |
+
G C8 C Y N 157
|
| 928 |
+
G N7 N Y N 158
|
| 929 |
+
G C5 C Y N 159
|
| 930 |
+
G C6 C N N 160
|
| 931 |
+
G O6 O N N 161
|
| 932 |
+
G N1 N N N 162
|
| 933 |
+
G C2 C N N 163
|
| 934 |
+
G N2 N N N 164
|
| 935 |
+
G N3 N N N 165
|
| 936 |
+
G C4 C Y N 166
|
| 937 |
+
G HOP3 H N N 167
|
| 938 |
+
G HOP2 H N N 168
|
| 939 |
+
G "H5'" H N N 169
|
| 940 |
+
G "H5''" H N N 170
|
| 941 |
+
G "H4'" H N N 171
|
| 942 |
+
G "H3'" H N N 172
|
| 943 |
+
G "HO3'" H N N 173
|
| 944 |
+
G "H2'" H N N 174
|
| 945 |
+
G "HO2'" H N N 175
|
| 946 |
+
G "H1'" H N N 176
|
| 947 |
+
G H8 H N N 177
|
| 948 |
+
G H1 H N N 178
|
| 949 |
+
G H21 H N N 179
|
| 950 |
+
G H22 H N N 180
|
| 951 |
+
HOH O O N N 181
|
| 952 |
+
HOH H1 H N N 182
|
| 953 |
+
HOH H2 H N N 183
|
| 954 |
+
U OP3 O N N 184
|
| 955 |
+
U P P N N 185
|
| 956 |
+
U OP1 O N N 186
|
| 957 |
+
U OP2 O N N 187
|
| 958 |
+
U "O5'" O N N 188
|
| 959 |
+
U "C5'" C N N 189
|
| 960 |
+
U "C4'" C N R 190
|
| 961 |
+
U "O4'" O N N 191
|
| 962 |
+
U "C3'" C N S 192
|
| 963 |
+
U "O3'" O N N 193
|
| 964 |
+
U "C2'" C N R 194
|
| 965 |
+
U "O2'" O N N 195
|
| 966 |
+
U "C1'" C N R 196
|
| 967 |
+
U N1 N N N 197
|
| 968 |
+
U C2 C N N 198
|
| 969 |
+
U O2 O N N 199
|
| 970 |
+
U N3 N N N 200
|
| 971 |
+
U C4 C N N 201
|
| 972 |
+
U O4 O N N 202
|
| 973 |
+
U C5 C N N 203
|
| 974 |
+
U C6 C N N 204
|
| 975 |
+
U HOP3 H N N 205
|
| 976 |
+
U HOP2 H N N 206
|
| 977 |
+
U "H5'" H N N 207
|
| 978 |
+
U "H5''" H N N 208
|
| 979 |
+
U "H4'" H N N 209
|
| 980 |
+
U "H3'" H N N 210
|
| 981 |
+
U "HO3'" H N N 211
|
| 982 |
+
U "H2'" H N N 212
|
| 983 |
+
U "HO2'" H N N 213
|
| 984 |
+
U "H1'" H N N 214
|
| 985 |
+
U H3 H N N 215
|
| 986 |
+
U H5 H N N 216
|
| 987 |
+
U H6 H N N 217
|
| 988 |
+
#
|
| 989 |
+
loop_
|
| 990 |
+
_chem_comp_bond.comp_id
|
| 991 |
+
_chem_comp_bond.atom_id_1
|
| 992 |
+
_chem_comp_bond.atom_id_2
|
| 993 |
+
_chem_comp_bond.value_order
|
| 994 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 995 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 996 |
+
_chem_comp_bond.pdbx_ordinal
|
| 997 |
+
C OP3 P sing N N 1
|
| 998 |
+
C OP3 HOP3 sing N N 2
|
| 999 |
+
C P OP1 doub N N 3
|
| 1000 |
+
C P OP2 sing N N 4
|
| 1001 |
+
C P "O5'" sing N N 5
|
| 1002 |
+
C OP2 HOP2 sing N N 6
|
| 1003 |
+
C "O5'" "C5'" sing N N 7
|
| 1004 |
+
C "C5'" "C4'" sing N N 8
|
| 1005 |
+
C "C5'" "H5'" sing N N 9
|
| 1006 |
+
C "C5'" "H5''" sing N N 10
|
| 1007 |
+
C "C4'" "O4'" sing N N 11
|
| 1008 |
+
C "C4'" "C3'" sing N N 12
|
| 1009 |
+
C "C4'" "H4'" sing N N 13
|
| 1010 |
+
C "O4'" "C1'" sing N N 14
|
| 1011 |
+
C "C3'" "O3'" sing N N 15
|
| 1012 |
+
C "C3'" "C2'" sing N N 16
|
| 1013 |
+
C "C3'" "H3'" sing N N 17
|
| 1014 |
+
C "O3'" "HO3'" sing N N 18
|
| 1015 |
+
C "C2'" "O2'" sing N N 19
|
| 1016 |
+
C "C2'" "C1'" sing N N 20
|
| 1017 |
+
C "C2'" "H2'" sing N N 21
|
| 1018 |
+
C "O2'" "HO2'" sing N N 22
|
| 1019 |
+
C "C1'" N1 sing N N 23
|
| 1020 |
+
C "C1'" "H1'" sing N N 24
|
| 1021 |
+
C N1 C2 sing N N 25
|
| 1022 |
+
C N1 C6 sing N N 26
|
| 1023 |
+
C C2 O2 doub N N 27
|
| 1024 |
+
C C2 N3 sing N N 28
|
| 1025 |
+
C N3 C4 doub N N 29
|
| 1026 |
+
C C4 N4 sing N N 30
|
| 1027 |
+
C C4 C5 sing N N 31
|
| 1028 |
+
C N4 H41 sing N N 32
|
| 1029 |
+
C N4 H42 sing N N 33
|
| 1030 |
+
C C5 C6 doub N N 34
|
| 1031 |
+
C C5 H5 sing N N 35
|
| 1032 |
+
C C6 H6 sing N N 36
|
| 1033 |
+
DA OP3 P sing N N 37
|
| 1034 |
+
DA OP3 HOP3 sing N N 38
|
| 1035 |
+
DA P OP1 doub N N 39
|
| 1036 |
+
DA P OP2 sing N N 40
|
| 1037 |
+
DA P "O5'" sing N N 41
|
| 1038 |
+
DA OP2 HOP2 sing N N 42
|
| 1039 |
+
DA "O5'" "C5'" sing N N 43
|
| 1040 |
+
DA "C5'" "C4'" sing N N 44
|
| 1041 |
+
DA "C5'" "H5'" sing N N 45
|
| 1042 |
+
DA "C5'" "H5''" sing N N 46
|
| 1043 |
+
DA "C4'" "O4'" sing N N 47
|
| 1044 |
+
DA "C4'" "C3'" sing N N 48
|
| 1045 |
+
DA "C4'" "H4'" sing N N 49
|
| 1046 |
+
DA "O4'" "C1'" sing N N 50
|
| 1047 |
+
DA "C3'" "O3'" sing N N 51
|
| 1048 |
+
DA "C3'" "C2'" sing N N 52
|
| 1049 |
+
DA "C3'" "H3'" sing N N 53
|
| 1050 |
+
DA "O3'" "HO3'" sing N N 54
|
| 1051 |
+
DA "C2'" "C1'" sing N N 55
|
| 1052 |
+
DA "C2'" "H2'" sing N N 56
|
| 1053 |
+
DA "C2'" "H2''" sing N N 57
|
| 1054 |
+
DA "C1'" N9 sing N N 58
|
| 1055 |
+
DA "C1'" "H1'" sing N N 59
|
| 1056 |
+
DA N9 C8 sing Y N 60
|
| 1057 |
+
DA N9 C4 sing Y N 61
|
| 1058 |
+
DA C8 N7 doub Y N 62
|
| 1059 |
+
DA C8 H8 sing N N 63
|
| 1060 |
+
DA N7 C5 sing Y N 64
|
| 1061 |
+
DA C5 C6 sing Y N 65
|
| 1062 |
+
DA C5 C4 doub Y N 66
|
| 1063 |
+
DA C6 N6 sing N N 67
|
| 1064 |
+
DA C6 N1 doub Y N 68
|
| 1065 |
+
DA N6 H61 sing N N 69
|
| 1066 |
+
DA N6 H62 sing N N 70
|
| 1067 |
+
DA N1 C2 sing Y N 71
|
| 1068 |
+
DA C2 N3 doub Y N 72
|
| 1069 |
+
DA C2 H2 sing N N 73
|
| 1070 |
+
DA N3 C4 sing Y N 74
|
| 1071 |
+
DC OP3 P sing N N 75
|
| 1072 |
+
DC OP3 HOP3 sing N N 76
|
| 1073 |
+
DC P OP1 doub N N 77
|
| 1074 |
+
DC P OP2 sing N N 78
|
| 1075 |
+
DC P "O5'" sing N N 79
|
| 1076 |
+
DC OP2 HOP2 sing N N 80
|
| 1077 |
+
DC "O5'" "C5'" sing N N 81
|
| 1078 |
+
DC "C5'" "C4'" sing N N 82
|
| 1079 |
+
DC "C5'" "H5'" sing N N 83
|
| 1080 |
+
DC "C5'" "H5''" sing N N 84
|
| 1081 |
+
DC "C4'" "O4'" sing N N 85
|
| 1082 |
+
DC "C4'" "C3'" sing N N 86
|
| 1083 |
+
DC "C4'" "H4'" sing N N 87
|
| 1084 |
+
DC "O4'" "C1'" sing N N 88
|
| 1085 |
+
DC "C3'" "O3'" sing N N 89
|
| 1086 |
+
DC "C3'" "C2'" sing N N 90
|
| 1087 |
+
DC "C3'" "H3'" sing N N 91
|
| 1088 |
+
DC "O3'" "HO3'" sing N N 92
|
| 1089 |
+
DC "C2'" "C1'" sing N N 93
|
| 1090 |
+
DC "C2'" "H2'" sing N N 94
|
| 1091 |
+
DC "C2'" "H2''" sing N N 95
|
| 1092 |
+
DC "C1'" N1 sing N N 96
|
| 1093 |
+
DC "C1'" "H1'" sing N N 97
|
| 1094 |
+
DC N1 C2 sing N N 98
|
| 1095 |
+
DC N1 C6 sing N N 99
|
| 1096 |
+
DC C2 O2 doub N N 100
|
| 1097 |
+
DC C2 N3 sing N N 101
|
| 1098 |
+
DC N3 C4 doub N N 102
|
| 1099 |
+
DC C4 N4 sing N N 103
|
| 1100 |
+
DC C4 C5 sing N N 104
|
| 1101 |
+
DC N4 H41 sing N N 105
|
| 1102 |
+
DC N4 H42 sing N N 106
|
| 1103 |
+
DC C5 C6 doub N N 107
|
| 1104 |
+
DC C5 H5 sing N N 108
|
| 1105 |
+
DC C6 H6 sing N N 109
|
| 1106 |
+
DG OP3 P sing N N 110
|
| 1107 |
+
DG OP3 HOP3 sing N N 111
|
| 1108 |
+
DG P OP1 doub N N 112
|
| 1109 |
+
DG P OP2 sing N N 113
|
| 1110 |
+
DG P "O5'" sing N N 114
|
| 1111 |
+
DG OP2 HOP2 sing N N 115
|
| 1112 |
+
DG "O5'" "C5'" sing N N 116
|
| 1113 |
+
DG "C5'" "C4'" sing N N 117
|
| 1114 |
+
DG "C5'" "H5'" sing N N 118
|
| 1115 |
+
DG "C5'" "H5''" sing N N 119
|
| 1116 |
+
DG "C4'" "O4'" sing N N 120
|
| 1117 |
+
DG "C4'" "C3'" sing N N 121
|
| 1118 |
+
DG "C4'" "H4'" sing N N 122
|
| 1119 |
+
DG "O4'" "C1'" sing N N 123
|
| 1120 |
+
DG "C3'" "O3'" sing N N 124
|
| 1121 |
+
DG "C3'" "C2'" sing N N 125
|
| 1122 |
+
DG "C3'" "H3'" sing N N 126
|
| 1123 |
+
DG "O3'" "HO3'" sing N N 127
|
| 1124 |
+
DG "C2'" "C1'" sing N N 128
|
| 1125 |
+
DG "C2'" "H2'" sing N N 129
|
| 1126 |
+
DG "C2'" "H2''" sing N N 130
|
| 1127 |
+
DG "C1'" N9 sing N N 131
|
| 1128 |
+
DG "C1'" "H1'" sing N N 132
|
| 1129 |
+
DG N9 C8 sing Y N 133
|
| 1130 |
+
DG N9 C4 sing Y N 134
|
| 1131 |
+
DG C8 N7 doub Y N 135
|
| 1132 |
+
DG C8 H8 sing N N 136
|
| 1133 |
+
DG N7 C5 sing Y N 137
|
| 1134 |
+
DG C5 C6 sing N N 138
|
| 1135 |
+
DG C5 C4 doub Y N 139
|
| 1136 |
+
DG C6 O6 doub N N 140
|
| 1137 |
+
DG C6 N1 sing N N 141
|
| 1138 |
+
DG N1 C2 sing N N 142
|
| 1139 |
+
DG N1 H1 sing N N 143
|
| 1140 |
+
DG C2 N2 sing N N 144
|
| 1141 |
+
DG C2 N3 doub N N 145
|
| 1142 |
+
DG N2 H21 sing N N 146
|
| 1143 |
+
DG N2 H22 sing N N 147
|
| 1144 |
+
DG N3 C4 sing N N 148
|
| 1145 |
+
G OP3 P sing N N 149
|
| 1146 |
+
G OP3 HOP3 sing N N 150
|
| 1147 |
+
G P OP1 doub N N 151
|
| 1148 |
+
G P OP2 sing N N 152
|
| 1149 |
+
G P "O5'" sing N N 153
|
| 1150 |
+
G OP2 HOP2 sing N N 154
|
| 1151 |
+
G "O5'" "C5'" sing N N 155
|
| 1152 |
+
G "C5'" "C4'" sing N N 156
|
| 1153 |
+
G "C5'" "H5'" sing N N 157
|
| 1154 |
+
G "C5'" "H5''" sing N N 158
|
| 1155 |
+
G "C4'" "O4'" sing N N 159
|
| 1156 |
+
G "C4'" "C3'" sing N N 160
|
| 1157 |
+
G "C4'" "H4'" sing N N 161
|
| 1158 |
+
G "O4'" "C1'" sing N N 162
|
| 1159 |
+
G "C3'" "O3'" sing N N 163
|
| 1160 |
+
G "C3'" "C2'" sing N N 164
|
| 1161 |
+
G "C3'" "H3'" sing N N 165
|
| 1162 |
+
G "O3'" "HO3'" sing N N 166
|
| 1163 |
+
G "C2'" "O2'" sing N N 167
|
| 1164 |
+
G "C2'" "C1'" sing N N 168
|
| 1165 |
+
G "C2'" "H2'" sing N N 169
|
| 1166 |
+
G "O2'" "HO2'" sing N N 170
|
| 1167 |
+
G "C1'" N9 sing N N 171
|
| 1168 |
+
G "C1'" "H1'" sing N N 172
|
| 1169 |
+
G N9 C8 sing Y N 173
|
| 1170 |
+
G N9 C4 sing Y N 174
|
| 1171 |
+
G C8 N7 doub Y N 175
|
| 1172 |
+
G C8 H8 sing N N 176
|
| 1173 |
+
G N7 C5 sing Y N 177
|
| 1174 |
+
G C5 C6 sing N N 178
|
| 1175 |
+
G C5 C4 doub Y N 179
|
| 1176 |
+
G C6 O6 doub N N 180
|
| 1177 |
+
G C6 N1 sing N N 181
|
| 1178 |
+
G N1 C2 sing N N 182
|
| 1179 |
+
G N1 H1 sing N N 183
|
| 1180 |
+
G C2 N2 sing N N 184
|
| 1181 |
+
G C2 N3 doub N N 185
|
| 1182 |
+
G N2 H21 sing N N 186
|
| 1183 |
+
G N2 H22 sing N N 187
|
| 1184 |
+
G N3 C4 sing N N 188
|
| 1185 |
+
HOH O H1 sing N N 189
|
| 1186 |
+
HOH O H2 sing N N 190
|
| 1187 |
+
U OP3 P sing N N 191
|
| 1188 |
+
U OP3 HOP3 sing N N 192
|
| 1189 |
+
U P OP1 doub N N 193
|
| 1190 |
+
U P OP2 sing N N 194
|
| 1191 |
+
U P "O5'" sing N N 195
|
| 1192 |
+
U OP2 HOP2 sing N N 196
|
| 1193 |
+
U "O5'" "C5'" sing N N 197
|
| 1194 |
+
U "C5'" "C4'" sing N N 198
|
| 1195 |
+
U "C5'" "H5'" sing N N 199
|
| 1196 |
+
U "C5'" "H5''" sing N N 200
|
| 1197 |
+
U "C4'" "O4'" sing N N 201
|
| 1198 |
+
U "C4'" "C3'" sing N N 202
|
| 1199 |
+
U "C4'" "H4'" sing N N 203
|
| 1200 |
+
U "O4'" "C1'" sing N N 204
|
| 1201 |
+
U "C3'" "O3'" sing N N 205
|
| 1202 |
+
U "C3'" "C2'" sing N N 206
|
| 1203 |
+
U "C3'" "H3'" sing N N 207
|
| 1204 |
+
U "O3'" "HO3'" sing N N 208
|
| 1205 |
+
U "C2'" "O2'" sing N N 209
|
| 1206 |
+
U "C2'" "C1'" sing N N 210
|
| 1207 |
+
U "C2'" "H2'" sing N N 211
|
| 1208 |
+
U "O2'" "HO2'" sing N N 212
|
| 1209 |
+
U "C1'" N1 sing N N 213
|
| 1210 |
+
U "C1'" "H1'" sing N N 214
|
| 1211 |
+
U N1 C2 sing N N 215
|
| 1212 |
+
U N1 C6 sing N N 216
|
| 1213 |
+
U C2 O2 doub N N 217
|
| 1214 |
+
U C2 N3 sing N N 218
|
| 1215 |
+
U N3 C4 sing N N 219
|
| 1216 |
+
U N3 H3 sing N N 220
|
| 1217 |
+
U C4 O4 doub N N 221
|
| 1218 |
+
U C4 C5 sing N N 222
|
| 1219 |
+
U C5 C6 doub N N 223
|
| 1220 |
+
U C5 H5 sing N N 224
|
| 1221 |
+
U C6 H6 sing N N 225
|
| 1222 |
+
#
|
| 1223 |
+
loop_
|
| 1224 |
+
_ndb_struct_conf_na.entry_id
|
| 1225 |
+
_ndb_struct_conf_na.feature
|
| 1226 |
+
1FIX 'double helix'
|
| 1227 |
+
1FIX 'a-form double helix'
|
| 1228 |
+
#
|
| 1229 |
+
loop_
|
| 1230 |
+
_ndb_struct_na_base_pair.model_number
|
| 1231 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1232 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1233 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1234 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1235 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1236 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1237 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1238 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1239 |
+
_ndb_struct_na_base_pair.shear
|
| 1240 |
+
_ndb_struct_na_base_pair.stretch
|
| 1241 |
+
_ndb_struct_na_base_pair.stagger
|
| 1242 |
+
_ndb_struct_na_base_pair.buckle
|
| 1243 |
+
_ndb_struct_na_base_pair.propeller
|
| 1244 |
+
_ndb_struct_na_base_pair.opening
|
| 1245 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1246 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1247 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1248 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1249 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1250 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1251 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1252 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1253 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1254 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1255 |
+
1 A U 1 1_555 B DA 10 1_555 0.212 -0.284 -0.128 -0.816 -18.085 -1.761 1 A_U1:DA20_B A 1 ? B 20 ? 20 1
|
| 1256 |
+
1 A U 2 1_555 B DA 9 1_555 -0.163 -0.188 -0.379 5.424 -19.443 3.450 2 A_U2:DA19_B A 2 ? B 19 ? 20 1
|
| 1257 |
+
1 A C 3 1_555 B DG 8 1_555 0.132 -0.257 0.319 -6.727 -16.172 -3.063 3 A_C3:DG18_B A 3 ? B 18 ? 19 1
|
| 1258 |
+
1 A G 4 1_555 B DC 7 1_555 -0.539 -0.153 -0.005 -8.560 -17.579 3.867 4 A_G4:DC17_B A 4 ? B 17 ? 19 1
|
| 1259 |
+
1 A G 5 1_555 B DC 6 1_555 -0.573 -0.349 -0.335 -17.608 -11.474 -3.315 5 A_G5:DC16_B A 5 ? B 16 ? 19 1
|
| 1260 |
+
1 A G 6 1_555 B DC 5 1_555 -0.511 -0.325 -0.249 -9.687 -14.621 -2.135 6 A_G6:DC15_B A 6 ? B 15 ? 19 1
|
| 1261 |
+
1 A C 7 1_555 B DG 4 1_555 0.168 -0.172 0.136 -3.795 -8.436 2.779 7 A_C7:DG14_B A 7 ? B 14 ? 19 1
|
| 1262 |
+
1 A G 8 1_555 B DC 3 1_555 -0.396 -0.137 -0.156 -9.449 -11.290 2.093 8 A_G8:DC13_B A 8 ? B 13 ? 19 1
|
| 1263 |
+
1 A C 9 1_555 B DG 2 1_555 0.144 -0.289 -0.134 0.781 -10.375 2.972 9 A_C9:DG12_B A 9 ? B 12 ? 19 1
|
| 1264 |
+
1 A C 10 1_555 B DG 1 1_555 0.078 -0.318 0.025 2.086 7.245 -0.960 10 A_C10:DG11_B A 10 ? B 11 ? 19 1
|
| 1265 |
+
#
|
| 1266 |
+
loop_
|
| 1267 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1268 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1269 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1270 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1271 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1272 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1273 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1274 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1275 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1276 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1277 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1278 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1279 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1280 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1281 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1282 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1283 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1284 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1285 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1286 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1287 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1288 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1289 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1290 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1291 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1292 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1293 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1294 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1295 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1296 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1297 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1298 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1299 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1300 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1301 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1302 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1303 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1304 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1305 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1306 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1307 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1308 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1309 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1310 |
+
1 A U 1 1_555 B DA 10 1_555 A U 2 1_555 B DA 9 1_555 0.308 -0.472 2.994 3.842 9.291 33.521 -2.054 0.012 2.786 15.675 -6.483
|
| 1311 |
+
34.955 1 AA_U1U2:DA19DA20_BB A 1 ? B 20 ? A 2 ? B 19 ?
|
| 1312 |
+
1 A U 2 1_555 B DA 9 1_555 A C 3 1_555 B DG 8 1_555 0.413 -0.770 3.737 -6.209 7.182 36.041 -2.267 -1.564 3.411 11.366 9.827
|
| 1313 |
+
37.230 2 AA_U2C3:DG18DA19_BB A 2 ? B 19 ? A 3 ? B 18 ?
|
| 1314 |
+
1 A C 3 1_555 B DG 8 1_555 A G 4 1_555 B DC 7 1_555 0.472 -1.853 3.149 1.751 9.702 27.244 -5.583 -0.606 2.386 19.793 -3.572
|
| 1315 |
+
28.942 3 AA_C3G4:DC17DG18_BB A 3 ? B 18 ? A 4 ? B 17 ?
|
| 1316 |
+
1 A G 4 1_555 B DC 7 1_555 A G 5 1_555 B DC 6 1_555 -1.187 -1.541 3.450 -0.851 11.580 33.619 -4.195 1.823 2.811 19.319 1.419
|
| 1317 |
+
35.513 4 AA_G4G5:DC16DC17_BB A 4 ? B 17 ? A 5 ? B 16 ?
|
| 1318 |
+
1 A G 5 1_555 B DC 6 1_555 A G 6 1_555 B DC 5 1_555 1.034 -1.824 3.255 2.672 12.445 26.336 -6.028 -1.534 2.271 25.506 -5.477
|
| 1319 |
+
29.202 5 AA_G5G6:DC15DC16_BB A 5 ? B 16 ? A 6 ? B 15 ?
|
| 1320 |
+
1 A G 6 1_555 B DC 5 1_555 A C 7 1_555 B DG 4 1_555 0.407 -1.221 3.144 -1.844 5.997 35.049 -2.808 -0.915 2.878 9.859 3.032
|
| 1321 |
+
35.588 6 AA_G6C7:DG14DC15_BB A 6 ? B 15 ? A 7 ? B 14 ?
|
| 1322 |
+
1 A C 7 1_555 B DG 4 1_555 A G 8 1_555 B DC 3 1_555 0.403 -1.691 3.392 4.154 7.888 27.966 -5.003 0.080 2.848 15.820 -8.331
|
| 1323 |
+
29.325 7 AA_C7G8:DC13DG14_BB A 7 ? B 14 ? A 8 ? B 13 ?
|
| 1324 |
+
1 A G 8 1_555 B DC 3 1_555 A C 9 1_555 B DG 2 1_555 0.123 -1.066 3.113 1.113 2.741 34.294 -2.203 -0.045 3.024 4.638 -1.883
|
| 1325 |
+
34.417 8 AA_G8C9:DG12DC13_BB A 8 ? B 13 ? A 9 ? B 12 ?
|
| 1326 |
+
1 A C 9 1_555 B DG 2 1_555 A C 10 1_555 B DG 1 1_555 -0.108 -1.679 3.476 0.603 4.837 31.931 -3.898 0.305 3.192 8.729 -1.089
|
| 1327 |
+
32.291 9 AA_C9C10:DG11DG12_BB A 9 ? B 12 ? A 10 ? B 11 ?
|
| 1328 |
+
#
|
| 1329 |
+
_pdbx_initial_refinement_model.accession_code ?
|
| 1330 |
+
_pdbx_initial_refinement_model.id 1
|
| 1331 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1332 |
+
_pdbx_initial_refinement_model.type 'in silico model'
|
| 1333 |
+
_pdbx_initial_refinement_model.source_name Other
|
| 1334 |
+
_pdbx_initial_refinement_model.details 'A-form RNA/DNA duplex'
|
| 1335 |
+
#
|
| 1336 |
+
_atom_sites.entry_id 1FIX
|
| 1337 |
+
_atom_sites.Cartn_transform_axes ?
|
| 1338 |
+
_atom_sites.fract_transf_matrix[1][1] 0.031949
|
| 1339 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1340 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1341 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1342 |
+
_atom_sites.fract_transf_matrix[2][2] 0.031949
|
| 1343 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1344 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1345 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1346 |
+
_atom_sites.fract_transf_matrix[3][3] 0.007262
|
| 1347 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1348 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1349 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1350 |
+
#
|
| 1351 |
+
loop_
|
| 1352 |
+
_atom_type.symbol
|
| 1353 |
+
C
|
| 1354 |
+
N
|
| 1355 |
+
O
|
| 1356 |
+
P
|
| 1357 |
+
#
|
| 1358 |
+
loop_
|
| 1359 |
+
_atom_site.group_PDB
|
| 1360 |
+
_atom_site.id
|
| 1361 |
+
_atom_site.type_symbol
|
| 1362 |
+
_atom_site.label_atom_id
|
| 1363 |
+
_atom_site.label_alt_id
|
| 1364 |
+
_atom_site.label_comp_id
|
| 1365 |
+
_atom_site.label_asym_id
|
| 1366 |
+
_atom_site.label_entity_id
|
| 1367 |
+
_atom_site.label_seq_id
|
| 1368 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1369 |
+
_atom_site.Cartn_x
|
| 1370 |
+
_atom_site.Cartn_y
|
| 1371 |
+
_atom_site.Cartn_z
|
| 1372 |
+
_atom_site.occupancy
|
| 1373 |
+
_atom_site.B_iso_or_equiv
|
| 1374 |
+
_atom_site.pdbx_formal_charge
|
| 1375 |
+
_atom_site.auth_seq_id
|
| 1376 |
+
_atom_site.auth_comp_id
|
| 1377 |
+
_atom_site.auth_asym_id
|
| 1378 |
+
_atom_site.auth_atom_id
|
| 1379 |
+
_atom_site.pdbx_PDB_model_num
|
| 1380 |
+
ATOM 1 O "O5'" . U A 1 1 ? 54.630 40.975 2.031 1.00 49.99 ? 1 U A "O5'" 1
|
| 1381 |
+
ATOM 2 C "C5'" . U A 1 1 ? 54.628 42.262 1.376 1.00 46.88 ? 1 U A "C5'" 1
|
| 1382 |
+
ATOM 3 C "C4'" . U A 1 1 ? 53.227 42.820 1.322 1.00 43.07 ? 1 U A "C4'" 1
|
| 1383 |
+
ATOM 4 O "O4'" . U A 1 1 ? 52.374 41.934 0.547 1.00 46.14 ? 1 U A "O4'" 1
|
| 1384 |
+
ATOM 5 C "C3'" . U A 1 1 ? 52.507 42.885 2.641 1.00 41.88 ? 1 U A "C3'" 1
|
| 1385 |
+
ATOM 6 O "O3'" . U A 1 1 ? 52.923 44.034 3.331 1.00 46.45 ? 1 U A "O3'" 1
|
| 1386 |
+
ATOM 7 C "C2'" . U A 1 1 ? 51.058 42.991 2.184 1.00 42.16 ? 1 U A "C2'" 1
|
| 1387 |
+
ATOM 8 O "O2'" . U A 1 1 ? 50.765 44.249 1.630 1.00 44.54 ? 1 U A "O2'" 1
|
| 1388 |
+
ATOM 9 C "C1'" . U A 1 1 ? 51.039 42.022 1.010 1.00 40.57 ? 1 U A "C1'" 1
|
| 1389 |
+
ATOM 10 N N1 . U A 1 1 ? 50.549 40.671 1.322 1.00 36.99 ? 1 U A N1 1
|
| 1390 |
+
ATOM 11 C C2 . U A 1 1 ? 49.186 40.479 1.324 1.00 37.18 ? 1 U A C2 1
|
| 1391 |
+
ATOM 12 O O2 . U A 1 1 ? 48.389 41.375 1.139 1.00 44.42 ? 1 U A O2 1
|
| 1392 |
+
ATOM 13 N N3 . U A 1 1 ? 48.775 39.200 1.554 1.00 36.55 ? 1 U A N3 1
|
| 1393 |
+
ATOM 14 C C4 . U A 1 1 ? 49.561 38.115 1.785 1.00 36.25 ? 1 U A C4 1
|
| 1394 |
+
ATOM 15 O O4 . U A 1 1 ? 49.031 37.005 1.878 1.00 37.77 ? 1 U A O4 1
|
| 1395 |
+
ATOM 16 C C5 . U A 1 1 ? 50.963 38.390 1.806 1.00 35.31 ? 1 U A C5 1
|
| 1396 |
+
ATOM 17 C C6 . U A 1 1 ? 51.399 39.636 1.580 1.00 35.70 ? 1 U A C6 1
|
| 1397 |
+
ATOM 18 P P . U A 1 2 ? 52.985 44.026 4.940 1.00 52.11 ? 2 U A P 1
|
| 1398 |
+
ATOM 19 O OP1 . U A 1 2 ? 53.745 45.232 5.343 1.00 50.30 ? 2 U A OP1 1
|
| 1399 |
+
ATOM 20 O OP2 . U A 1 2 ? 53.454 42.674 5.379 1.00 49.03 ? 2 U A OP2 1
|
| 1400 |
+
ATOM 21 O "O5'" . U A 1 2 ? 51.460 44.225 5.401 1.00 51.37 ? 2 U A "O5'" 1
|
| 1401 |
+
ATOM 22 C "C5'" . U A 1 2 ? 50.744 45.444 5.098 1.00 49.07 ? 2 U A "C5'" 1
|
| 1402 |
+
ATOM 23 C "C4'" . U A 1 2 ? 49.247 45.233 5.224 1.00 48.22 ? 2 U A "C4'" 1
|
| 1403 |
+
ATOM 24 O "O4'" . U A 1 2 ? 48.824 44.210 4.299 1.00 47.31 ? 2 U A "O4'" 1
|
| 1404 |
+
ATOM 25 C "C3'" . U A 1 2 ? 48.749 44.716 6.556 1.00 49.76 ? 2 U A "C3'" 1
|
| 1405 |
+
ATOM 26 O "O3'" . U A 1 2 ? 48.564 45.759 7.485 1.00 50.09 ? 2 U A "O3'" 1
|
| 1406 |
+
ATOM 27 C "C2'" . U A 1 2 ? 47.415 44.091 6.188 1.00 50.32 ? 2 U A "C2'" 1
|
| 1407 |
+
ATOM 28 O "O2'" . U A 1 2 ? 46.367 45.017 5.986 1.00 56.97 ? 2 U A "O2'" 1
|
| 1408 |
+
ATOM 29 C "C1'" . U A 1 2 ? 47.748 43.476 4.842 1.00 45.95 ? 2 U A "C1'" 1
|
| 1409 |
+
ATOM 30 N N1 . U A 1 2 ? 48.145 42.068 4.942 1.00 42.57 ? 2 U A N1 1
|
| 1410 |
+
ATOM 31 C C2 . U A 1 2 ? 47.150 41.126 4.796 1.00 39.86 ? 2 U A C2 1
|
| 1411 |
+
ATOM 32 O O2 . U A 1 2 ? 45.975 41.417 4.695 1.00 41.25 ? 2 U A O2 1
|
| 1412 |
+
ATOM 33 N N3 . U A 1 2 ? 47.578 39.829 4.771 1.00 37.76 ? 2 U A N3 1
|
| 1413 |
+
ATOM 34 C C4 . U A 1 2 ? 48.865 39.387 4.888 1.00 38.03 ? 2 U A C4 1
|
| 1414 |
+
ATOM 35 O O4 . U A 1 2 ? 49.105 38.209 4.638 1.00 39.08 ? 2 U A O4 1
|
| 1415 |
+
ATOM 36 C C5 . U A 1 2 ? 49.841 40.423 5.113 1.00 39.57 ? 2 U A C5 1
|
| 1416 |
+
ATOM 37 C C6 . U A 1 2 ? 49.455 41.699 5.134 1.00 41.35 ? 2 U A C6 1
|
| 1417 |
+
ATOM 38 P P . C A 1 3 ? 48.902 45.494 9.012 1.00 48.38 ? 3 C A P 1
|
| 1418 |
+
ATOM 39 O OP1 . C A 1 3 ? 48.964 46.826 9.635 1.00 56.95 ? 3 C A OP1 1
|
| 1419 |
+
ATOM 40 O OP2 . C A 1 3 ? 50.077 44.585 9.087 1.00 54.59 ? 3 C A OP2 1
|
| 1420 |
+
ATOM 41 O "O5'" . C A 1 3 ? 47.655 44.678 9.552 1.00 46.91 ? 3 C A "O5'" 1
|
| 1421 |
+
ATOM 42 C "C5'" . C A 1 3 ? 46.350 45.226 9.414 1.00 43.49 ? 3 C A "C5'" 1
|
| 1422 |
+
ATOM 43 C "C4'" . C A 1 3 ? 45.320 44.139 9.444 1.00 43.78 ? 3 C A "C4'" 1
|
| 1423 |
+
ATOM 44 O "O4'" . C A 1 3 ? 45.543 43.272 8.301 1.00 39.38 ? 3 C A "O4'" 1
|
| 1424 |
+
ATOM 45 C "C3'" . C A 1 3 ? 45.355 43.174 10.625 1.00 44.21 ? 3 C A "C3'" 1
|
| 1425 |
+
ATOM 46 O "O3'" . C A 1 3 ? 44.790 43.703 11.837 1.00 43.14 ? 3 C A "O3'" 1
|
| 1426 |
+
ATOM 47 C "C2'" . C A 1 3 ? 44.560 41.998 10.051 1.00 44.40 ? 3 C A "C2'" 1
|
| 1427 |
+
ATOM 48 O "O2'" . C A 1 3 ? 43.150 42.148 10.043 1.00 46.95 ? 3 C A "O2'" 1
|
| 1428 |
+
ATOM 49 C "C1'" . C A 1 3 ? 45.061 41.978 8.606 1.00 40.81 ? 3 C A "C1'" 1
|
| 1429 |
+
ATOM 50 N N1 . C A 1 3 ? 46.155 41.027 8.490 1.00 35.86 ? 3 C A N1 1
|
| 1430 |
+
ATOM 51 C C2 . C A 1 3 ? 45.837 39.666 8.474 1.00 38.96 ? 3 C A C2 1
|
| 1431 |
+
ATOM 52 O O2 . C A 1 3 ? 44.639 39.341 8.490 1.00 43.59 ? 3 C A O2 1
|
| 1432 |
+
ATOM 53 N N3 . C A 1 3 ? 46.833 38.747 8.429 1.00 32.09 ? 3 C A N3 1
|
| 1433 |
+
ATOM 54 C C4 . C A 1 3 ? 48.095 39.158 8.371 1.00 29.06 ? 3 C A C4 1
|
| 1434 |
+
ATOM 55 N N4 . C A 1 3 ? 49.040 38.243 8.301 1.00 25.83 ? 3 C A N4 1
|
| 1435 |
+
ATOM 56 C C5 . C A 1 3 ? 48.440 40.541 8.368 1.00 31.45 ? 3 C A C5 1
|
| 1436 |
+
ATOM 57 C C6 . C A 1 3 ? 47.447 41.434 8.424 1.00 31.13 ? 3 C A C6 1
|
| 1437 |
+
ATOM 58 P P . G A 1 4 ? 45.351 43.204 13.267 1.00 43.29 ? 4 G A P 1
|
| 1438 |
+
ATOM 59 O OP1 . G A 1 4 ? 44.770 44.113 14.265 1.00 48.47 ? 4 G A OP1 1
|
| 1439 |
+
ATOM 60 O OP2 . G A 1 4 ? 46.814 43.026 13.198 1.00 46.78 ? 4 G A OP2 1
|
| 1440 |
+
ATOM 61 O "O5'" . G A 1 4 ? 44.796 41.719 13.490 1.00 44.01 ? 4 G A "O5'" 1
|
| 1441 |
+
ATOM 62 C "C5'" . G A 1 4 ? 43.393 41.454 13.627 1.00 37.07 ? 4 G A "C5'" 1
|
| 1442 |
+
ATOM 63 C "C4'" . G A 1 4 ? 43.102 39.987 13.425 1.00 36.17 ? 4 G A "C4'" 1
|
| 1443 |
+
ATOM 64 O "O4'" . G A 1 4 ? 43.592 39.567 12.120 1.00 38.34 ? 4 G A "O4'" 1
|
| 1444 |
+
ATOM 65 C "C3'" . G A 1 4 ? 43.747 38.968 14.359 1.00 35.67 ? 4 G A "C3'" 1
|
| 1445 |
+
ATOM 66 O "O3'" . G A 1 4 ? 43.106 38.932 15.625 1.00 36.73 ? 4 G A "O3'" 1
|
| 1446 |
+
ATOM 67 C "C2'" . G A 1 4 ? 43.516 37.684 13.567 1.00 35.79 ? 4 G A "C2'" 1
|
| 1447 |
+
ATOM 68 O "O2'" . G A 1 4 ? 42.175 37.241 13.606 1.00 36.33 ? 4 G A "O2'" 1
|
| 1448 |
+
ATOM 69 C "C1'" . G A 1 4 ? 43.840 38.155 12.144 1.00 34.71 ? 4 G A "C1'" 1
|
| 1449 |
+
ATOM 70 N N9 . G A 1 4 ? 45.245 37.909 11.823 1.00 31.77 ? 4 G A N9 1
|
| 1450 |
+
ATOM 71 C C8 . G A 1 4 ? 46.245 38.836 11.707 1.00 29.26 ? 4 G A C8 1
|
| 1451 |
+
ATOM 72 N N7 . G A 1 4 ? 47.416 38.308 11.471 1.00 25.76 ? 4 G A N7 1
|
| 1452 |
+
ATOM 73 C C5 . G A 1 4 ? 47.171 36.949 11.391 1.00 30.75 ? 4 G A C5 1
|
| 1453 |
+
ATOM 74 C C6 . G A 1 4 ? 48.056 35.860 11.118 1.00 30.06 ? 4 G A C6 1
|
| 1454 |
+
ATOM 75 O O6 . G A 1 4 ? 49.234 35.899 10.828 1.00 33.30 ? 4 G A O6 1
|
| 1455 |
+
ATOM 76 N N1 . G A 1 4 ? 47.406 34.631 11.186 1.00 32.79 ? 4 G A N1 1
|
| 1456 |
+
ATOM 77 C C2 . G A 1 4 ? 46.059 34.472 11.442 1.00 30.94 ? 4 G A C2 1
|
| 1457 |
+
ATOM 78 N N2 . G A 1 4 ? 45.606 33.207 11.496 1.00 26.69 ? 4 G A N2 1
|
| 1458 |
+
ATOM 79 N N3 . G A 1 4 ? 45.218 35.483 11.641 1.00 29.05 ? 4 G A N3 1
|
| 1459 |
+
ATOM 80 C C4 . G A 1 4 ? 45.836 36.680 11.613 1.00 31.15 ? 4 G A C4 1
|
| 1460 |
+
ATOM 81 P P . G A 1 5 ? 43.758 38.111 16.850 1.00 35.72 ? 5 G A P 1
|
| 1461 |
+
ATOM 82 O OP1 . G A 1 5 ? 42.918 38.254 18.056 1.00 39.59 ? 5 G A OP1 1
|
| 1462 |
+
ATOM 83 O OP2 . G A 1 5 ? 45.206 38.446 16.936 1.00 37.88 ? 5 G A OP2 1
|
| 1463 |
+
ATOM 84 O "O5'" . G A 1 5 ? 43.610 36.614 16.360 1.00 39.99 ? 5 G A "O5'" 1
|
| 1464 |
+
ATOM 85 C "C5'" . G A 1 5 ? 42.428 35.860 16.615 1.00 33.70 ? 5 G A "C5'" 1
|
| 1465 |
+
ATOM 86 C "C4'" . G A 1 5 ? 42.761 34.393 16.569 1.00 36.36 ? 5 G A "C4'" 1
|
| 1466 |
+
ATOM 87 O "O4'" . G A 1 5 ? 43.368 34.054 15.276 1.00 33.76 ? 5 G A "O4'" 1
|
| 1467 |
+
ATOM 88 C "C3'" . G A 1 5 ? 43.802 33.912 17.574 1.00 32.74 ? 5 G A "C3'" 1
|
| 1468 |
+
ATOM 89 O "O3'" . G A 1 5 ? 43.216 33.701 18.843 1.00 31.81 ? 5 G A "O3'" 1
|
| 1469 |
+
ATOM 90 C "C2'" . G A 1 5 ? 44.239 32.606 16.930 1.00 33.15 ? 5 G A "C2'" 1
|
| 1470 |
+
ATOM 91 O "O2'" . G A 1 5 ? 43.210 31.639 17.035 1.00 29.39 ? 5 G A "O2'" 1
|
| 1471 |
+
ATOM 92 C "C1'" . G A 1 5 ? 44.336 33.041 15.467 1.00 29.01 ? 5 G A "C1'" 1
|
| 1472 |
+
ATOM 93 N N9 . G A 1 5 ? 45.638 33.614 15.155 1.00 29.90 ? 5 G A N9 1
|
| 1473 |
+
ATOM 94 C C8 . G A 1 5 ? 45.964 34.941 15.004 1.00 25.13 ? 5 G A C8 1
|
| 1474 |
+
ATOM 95 N N7 . G A 1 5 ? 47.194 35.120 14.625 1.00 23.28 ? 5 G A N7 1
|
| 1475 |
+
ATOM 96 C C5 . G A 1 5 ? 47.714 33.836 14.533 1.00 26.73 ? 5 G A C5 1
|
| 1476 |
+
ATOM 97 C C6 . G A 1 5 ? 48.972 33.393 14.105 1.00 25.35 ? 5 G A C6 1
|
| 1477 |
+
ATOM 98 O O6 . G A 1 5 ? 49.906 34.064 13.682 1.00 30.50 ? 5 G A O6 1
|
| 1478 |
+
ATOM 99 N N1 . G A 1 5 ? 49.089 32.004 14.168 1.00 23.76 ? 5 G A N1 1
|
| 1479 |
+
ATOM 100 C C2 . G A 1 5 ? 48.090 31.146 14.566 1.00 26.95 ? 5 G A C2 1
|
| 1480 |
+
ATOM 101 N N2 . G A 1 5 ? 48.349 29.824 14.546 1.00 22.84 ? 5 G A N2 1
|
| 1481 |
+
ATOM 102 N N3 . G A 1 5 ? 46.897 31.558 14.950 1.00 30.62 ? 5 G A N3 1
|
| 1482 |
+
ATOM 103 C C4 . G A 1 5 ? 46.780 32.904 14.900 1.00 28.86 ? 5 G A C4 1
|
| 1483 |
+
ATOM 104 P P . G A 1 6 ? 44.084 33.969 20.156 1.00 35.84 ? 6 G A P 1
|
| 1484 |
+
ATOM 105 O OP1 . G A 1 6 ? 43.198 33.841 21.328 1.00 36.41 ? 6 G A OP1 1
|
| 1485 |
+
ATOM 106 O OP2 . G A 1 6 ? 44.857 35.211 19.961 1.00 32.15 ? 6 G A OP2 1
|
| 1486 |
+
ATOM 107 O "O5'" . G A 1 6 ? 45.092 32.729 20.186 1.00 36.27 ? 6 G A "O5'" 1
|
| 1487 |
+
ATOM 108 C "C5'" . G A 1 6 ? 46.403 32.871 20.723 1.00 34.64 ? 6 G A "C5'" 1
|
| 1488 |
+
ATOM 109 C "C4'" . G A 1 6 ? 47.281 31.741 20.261 1.00 34.13 ? 6 G A "C4'" 1
|
| 1489 |
+
ATOM 110 O "O4'" . G A 1 6 ? 47.475 31.816 18.821 1.00 38.17 ? 6 G A "O4'" 1
|
| 1490 |
+
ATOM 111 C "C3'" . G A 1 6 ? 48.705 31.801 20.778 1.00 34.31 ? 6 G A "C3'" 1
|
| 1491 |
+
ATOM 112 O "O3'" . G A 1 6 ? 48.753 31.277 22.073 1.00 36.94 ? 6 G A "O3'" 1
|
| 1492 |
+
ATOM 113 C "C2'" . G A 1 6 ? 49.426 30.898 19.793 1.00 36.22 ? 6 G A "C2'" 1
|
| 1493 |
+
ATOM 114 O "O2'" . G A 1 6 ? 49.106 29.534 20.003 1.00 35.32 ? 6 G A "O2'" 1
|
| 1494 |
+
ATOM 115 C "C1'" . G A 1 6 ? 48.783 31.349 18.484 1.00 34.74 ? 6 G A "C1'" 1
|
| 1495 |
+
ATOM 116 N N9 . G A 1 6 ? 49.536 32.441 17.873 1.00 31.78 ? 6 G A N9 1
|
| 1496 |
+
ATOM 117 C C8 . G A 1 6 ? 49.209 33.776 17.837 1.00 30.49 ? 6 G A C8 1
|
| 1497 |
+
ATOM 118 N N7 . G A 1 6 ? 50.097 34.501 17.215 1.00 32.72 ? 6 G A N7 1
|
| 1498 |
+
ATOM 119 C C5 . G A 1 6 ? 51.066 33.585 16.816 1.00 30.97 ? 6 G A C5 1
|
| 1499 |
+
ATOM 120 C C6 . G A 1 6 ? 52.262 33.774 16.099 1.00 30.62 ? 6 G A C6 1
|
| 1500 |
+
ATOM 121 O O6 . G A 1 6 ? 52.730 34.818 15.643 1.00 36.25 ? 6 G A O6 1
|
| 1501 |
+
ATOM 122 N N1 . G A 1 6 ? 52.942 32.580 15.918 1.00 30.88 ? 6 G A N1 1
|
| 1502 |
+
ATOM 123 C C2 . G A 1 6 ? 52.522 31.362 16.352 1.00 27.86 ? 6 G A C2 1
|
| 1503 |
+
ATOM 124 N N2 . G A 1 6 ? 53.336 30.327 16.083 1.00 30.24 ? 6 G A N2 1
|
| 1504 |
+
ATOM 125 N N3 . G A 1 6 ? 51.399 31.165 17.003 1.00 29.75 ? 6 G A N3 1
|
| 1505 |
+
ATOM 126 C C4 . G A 1 6 ? 50.729 32.314 17.209 1.00 30.21 ? 6 G A C4 1
|
| 1506 |
+
ATOM 127 P P . C A 1 7 ? 49.639 32.003 23.164 1.00 32.94 ? 7 C A P 1
|
| 1507 |
+
ATOM 128 O OP1 . C A 1 7 ? 49.236 31.420 24.433 1.00 42.11 ? 7 C A OP1 1
|
| 1508 |
+
ATOM 129 O OP2 . C A 1 7 ? 49.420 33.441 22.911 1.00 33.69 ? 7 C A OP2 1
|
| 1509 |
+
ATOM 130 O "O5'" . C A 1 7 ? 51.116 31.501 22.843 1.00 33.88 ? 7 C A "O5'" 1
|
| 1510 |
+
ATOM 131 C "C5'" . C A 1 7 ? 51.423 30.096 22.911 1.00 31.29 ? 7 C A "C5'" 1
|
| 1511 |
+
ATOM 132 C "C4'" . C A 1 7 ? 52.722 29.777 22.195 1.00 32.79 ? 7 C A "C4'" 1
|
| 1512 |
+
ATOM 133 O "O4'" . C A 1 7 ? 52.602 30.052 20.778 1.00 35.38 ? 7 C A "O4'" 1
|
| 1513 |
+
ATOM 134 C "C3'" . C A 1 7 ? 53.953 30.557 22.618 1.00 34.95 ? 7 C A "C3'" 1
|
| 1514 |
+
ATOM 135 O "O3'" . C A 1 7 ? 54.536 29.979 23.784 1.00 36.76 ? 7 C A "O3'" 1
|
| 1515 |
+
ATOM 136 C "C2'" . C A 1 7 ? 54.863 30.387 21.403 1.00 35.00 ? 7 C A "C2'" 1
|
| 1516 |
+
ATOM 137 O "O2'" . C A 1 7 ? 55.484 29.128 21.318 1.00 36.39 ? 7 C A "O2'" 1
|
| 1517 |
+
ATOM 138 C "C1'" . C A 1 7 ? 53.858 30.489 20.265 1.00 34.16 ? 7 C A "C1'" 1
|
| 1518 |
+
ATOM 139 N N1 . C A 1 7 ? 53.741 31.892 19.838 1.00 32.41 ? 7 C A N1 1
|
| 1519 |
+
ATOM 140 C C2 . C A 1 7 ? 54.735 32.419 19.016 1.00 28.63 ? 7 C A C2 1
|
| 1520 |
+
ATOM 141 O O2 . C A 1 7 ? 55.643 31.689 18.631 1.00 33.02 ? 7 C A O2 1
|
| 1521 |
+
ATOM 142 N N3 . C A 1 7 ? 54.674 33.703 18.650 1.00 26.87 ? 7 C A N3 1
|
| 1522 |
+
ATOM 143 C C4 . C A 1 7 ? 53.649 34.457 19.036 1.00 25.17 ? 7 C A C4 1
|
| 1523 |
+
ATOM 144 N N4 . C A 1 7 ? 53.610 35.712 18.594 1.00 26.04 ? 7 C A N4 1
|
| 1524 |
+
ATOM 145 C C5 . C A 1 7 ? 52.614 33.953 19.869 1.00 25.56 ? 7 C A C5 1
|
| 1525 |
+
ATOM 146 C C6 . C A 1 7 ? 52.696 32.673 20.245 1.00 27.54 ? 7 C A C6 1
|
| 1526 |
+
ATOM 147 P P . G A 1 8 ? 55.267 30.916 24.854 1.00 32.87 ? 8 G A P 1
|
| 1527 |
+
ATOM 148 O OP1 . G A 1 8 ? 55.459 30.099 26.085 1.00 33.40 ? 8 G A OP1 1
|
| 1528 |
+
ATOM 149 O OP2 . G A 1 8 ? 54.487 32.193 24.914 1.00 34.11 ? 8 G A OP2 1
|
| 1529 |
+
ATOM 150 O "O5'" . G A 1 8 ? 56.677 31.244 24.211 1.00 27.70 ? 8 G A "O5'" 1
|
| 1530 |
+
ATOM 151 C "C5'" . G A 1 8 ? 57.487 30.215 23.717 1.00 26.45 ? 8 G A "C5'" 1
|
| 1531 |
+
ATOM 152 C "C4'" . G A 1 8 ? 58.527 30.773 22.793 1.00 27.36 ? 8 G A "C4'" 1
|
| 1532 |
+
ATOM 153 O "O4'" . G A 1 8 ? 57.907 31.247 21.573 1.00 27.15 ? 8 G A "O4'" 1
|
| 1533 |
+
ATOM 154 C "C3'" . G A 1 8 ? 59.308 31.983 23.272 1.00 29.74 ? 8 G A "C3'" 1
|
| 1534 |
+
ATOM 155 O "O3'" . G A 1 8 ? 60.338 31.638 24.200 1.00 33.02 ? 8 G A "O3'" 1
|
| 1535 |
+
ATOM 156 C "C2'" . G A 1 8 ? 59.912 32.454 21.956 1.00 31.82 ? 8 G A "C2'" 1
|
| 1536 |
+
ATOM 157 O "O2'" . G A 1 8 ? 61.003 31.653 21.553 1.00 34.61 ? 8 G A "O2'" 1
|
| 1537 |
+
ATOM 158 C "C1'" . G A 1 8 ? 58.734 32.248 21.000 1.00 30.97 ? 8 G A "C1'" 1
|
| 1538 |
+
ATOM 159 N N9 . G A 1 8 ? 57.973 33.489 20.911 1.00 31.74 ? 8 G A N9 1
|
| 1539 |
+
ATOM 160 C C8 . G A 1 8 ? 56.778 33.798 21.525 1.00 28.76 ? 8 G A C8 1
|
| 1540 |
+
ATOM 161 N N7 . G A 1 8 ? 56.357 34.998 21.244 1.00 30.70 ? 8 G A N7 1
|
| 1541 |
+
ATOM 162 C C5 . G A 1 8 ? 57.329 35.506 20.390 1.00 30.20 ? 8 G A C5 1
|
| 1542 |
+
ATOM 163 C C6 . G A 1 8 ? 57.405 36.755 19.735 1.00 29.30 ? 8 G A C6 1
|
| 1543 |
+
ATOM 164 O O6 . G A 1 8 ? 56.601 37.668 19.772 1.00 34.34 ? 8 G A O6 1
|
| 1544 |
+
ATOM 165 N N1 . G A 1 8 ? 58.566 36.870 18.961 1.00 26.23 ? 8 G A N1 1
|
| 1545 |
+
ATOM 166 C C2 . G A 1 8 ? 59.532 35.885 18.835 1.00 26.06 ? 8 G A C2 1
|
| 1546 |
+
ATOM 167 N N2 . G A 1 8 ? 60.588 36.156 18.029 1.00 21.53 ? 8 G A N2 1
|
| 1547 |
+
ATOM 168 N N3 . G A 1 8 ? 59.462 34.707 19.447 1.00 26.31 ? 8 G A N3 1
|
| 1548 |
+
ATOM 169 C C4 . G A 1 8 ? 58.339 34.588 20.192 1.00 27.22 ? 8 G A C4 1
|
| 1549 |
+
ATOM 170 P P . C A 1 9 ? 60.893 32.743 25.251 1.00 31.45 ? 9 C A P 1
|
| 1550 |
+
ATOM 171 O OP1 . C A 1 9 ? 61.790 32.019 26.181 1.00 29.52 ? 9 C A OP1 1
|
| 1551 |
+
ATOM 172 O OP2 . C A 1 9 ? 59.770 33.566 25.787 1.00 30.29 ? 9 C A OP2 1
|
| 1552 |
+
ATOM 173 O "O5'" . C A 1 9 ? 61.825 33.683 24.375 1.00 29.84 ? 9 C A "O5'" 1
|
| 1553 |
+
ATOM 174 C "C5'" . C A 1 9 ? 63.127 33.241 23.977 1.00 24.23 ? 9 C A "C5'" 1
|
| 1554 |
+
ATOM 175 C "C4'" . C A 1 9 ? 63.693 34.212 22.988 1.00 26.84 ? 9 C A "C4'" 1
|
| 1555 |
+
ATOM 176 O "O4'" . C A 1 9 ? 62.674 34.470 21.989 1.00 27.87 ? 9 C A "O4'" 1
|
| 1556 |
+
ATOM 177 C "C3'" . C A 1 9 ? 63.937 35.602 23.550 1.00 28.30 ? 9 C A "C3'" 1
|
| 1557 |
+
ATOM 178 O "O3'" . C A 1 9 ? 65.185 35.647 24.157 1.00 28.09 ? 9 C A "O3'" 1
|
| 1558 |
+
ATOM 179 C "C2'" . C A 1 9 ? 63.944 36.443 22.289 1.00 28.53 ? 9 C A "C2'" 1
|
| 1559 |
+
ATOM 180 O "O2'" . C A 1 9 ? 65.125 36.234 21.552 1.00 29.74 ? 9 C A "O2'" 1
|
| 1560 |
+
ATOM 181 C "C1'" . C A 1 9 ? 62.769 35.821 21.547 1.00 28.14 ? 9 C A "C1'" 1
|
| 1561 |
+
ATOM 182 N N1 . C A 1 9 ? 61.516 36.519 21.883 1.00 26.75 ? 9 C A N1 1
|
| 1562 |
+
ATOM 183 C C2 . C A 1 9 ? 61.237 37.702 21.227 1.00 22.84 ? 9 C A C2 1
|
| 1563 |
+
ATOM 184 O O2 . C A 1 9 ? 62.057 38.136 20.405 1.00 22.39 ? 9 C A O2 1
|
| 1564 |
+
ATOM 185 N N3 . C A 1 9 ? 60.095 38.349 21.493 1.00 22.15 ? 9 C A N3 1
|
| 1565 |
+
ATOM 186 C C4 . C A 1 9 ? 59.240 37.851 22.382 1.00 20.80 ? 9 C A C4 1
|
| 1566 |
+
ATOM 187 N N4 . C A 1 9 ? 58.109 38.518 22.584 1.00 21.74 ? 9 C A N4 1
|
| 1567 |
+
ATOM 188 C C5 . C A 1 9 ? 59.505 36.653 23.089 1.00 19.59 ? 9 C A C5 1
|
| 1568 |
+
ATOM 189 C C6 . C A 1 9 ? 60.645 36.019 22.813 1.00 24.40 ? 9 C A C6 1
|
| 1569 |
+
ATOM 190 P P . C A 1 10 ? 65.425 36.606 25.391 1.00 30.66 ? 10 C A P 1
|
| 1570 |
+
ATOM 191 O OP1 . C A 1 10 ? 66.741 36.140 25.913 1.00 31.00 ? 10 C A OP1 1
|
| 1571 |
+
ATOM 192 O OP2 . C A 1 10 ? 64.244 36.627 26.281 1.00 27.23 ? 10 C A OP2 1
|
| 1572 |
+
ATOM 193 O "O5'" . C A 1 10 ? 65.581 38.028 24.705 1.00 31.39 ? 10 C A "O5'" 1
|
| 1573 |
+
ATOM 194 C "C5'" . C A 1 10 ? 66.666 38.278 23.815 1.00 25.79 ? 10 C A "C5'" 1
|
| 1574 |
+
ATOM 195 C "C4'" . C A 1 10 ? 66.588 39.692 23.310 1.00 28.53 ? 10 C A "C4'" 1
|
| 1575 |
+
ATOM 196 O "O4'" . C A 1 10 ? 65.390 39.826 22.512 1.00 26.35 ? 10 C A "O4'" 1
|
| 1576 |
+
ATOM 197 C "C3'" . C A 1 10 ? 66.421 40.794 24.350 1.00 29.33 ? 10 C A "C3'" 1
|
| 1577 |
+
ATOM 198 O "O3'" . C A 1 10 ? 67.655 41.133 24.961 1.00 30.40 ? 10 C A "O3'" 1
|
| 1578 |
+
ATOM 199 C "C2'" . C A 1 10 ? 65.899 41.933 23.484 1.00 29.43 ? 10 C A "C2'" 1
|
| 1579 |
+
ATOM 200 O "O2'" . C A 1 10 ? 66.939 42.462 22.686 1.00 29.08 ? 10 C A "O2'" 1
|
| 1580 |
+
ATOM 201 C "C1'" . C A 1 10 ? 64.927 41.171 22.572 1.00 31.35 ? 10 C A "C1'" 1
|
| 1581 |
+
ATOM 202 N N1 . C A 1 10 ? 63.544 41.132 23.073 1.00 29.98 ? 10 C A N1 1
|
| 1582 |
+
ATOM 203 C C2 . C A 1 10 ? 62.662 42.198 22.780 1.00 26.85 ? 10 C A C2 1
|
| 1583 |
+
ATOM 204 O O2 . C A 1 10 ? 63.087 43.164 22.136 1.00 27.21 ? 10 C A O2 1
|
| 1584 |
+
ATOM 205 N N3 . C A 1 10 ? 61.376 42.127 23.212 1.00 21.21 ? 10 C A N3 1
|
| 1585 |
+
ATOM 206 C C4 . C A 1 10 ? 60.972 41.053 23.913 1.00 25.43 ? 10 C A C4 1
|
| 1586 |
+
ATOM 207 N N4 . C A 1 10 ? 59.702 40.978 24.299 1.00 24.33 ? 10 C A N4 1
|
| 1587 |
+
ATOM 208 C C5 . C A 1 10 ? 61.861 39.985 24.250 1.00 26.42 ? 10 C A C5 1
|
| 1588 |
+
ATOM 209 C C6 . C A 1 10 ? 63.118 40.061 23.811 1.00 27.94 ? 10 C A C6 1
|
| 1589 |
+
ATOM 210 O "O5'" . DG B 2 1 ? 53.437 48.801 21.193 1.00 46.07 ? 11 DG B "O5'" 1
|
| 1590 |
+
ATOM 211 C "C5'" . DG B 2 1 ? 54.052 49.938 20.538 1.00 42.20 ? 11 DG B "C5'" 1
|
| 1591 |
+
ATOM 212 C "C4'" . DG B 2 1 ? 55.495 49.641 20.200 1.00 38.54 ? 11 DG B "C4'" 1
|
| 1592 |
+
ATOM 213 O "O4'" . DG B 2 1 ? 56.161 49.164 21.379 1.00 40.26 ? 11 DG B "O4'" 1
|
| 1593 |
+
ATOM 214 C "C3'" . DG B 2 1 ? 55.727 48.517 19.218 1.00 38.10 ? 11 DG B "C3'" 1
|
| 1594 |
+
ATOM 215 O "O3'" . DG B 2 1 ? 55.689 48.984 17.896 1.00 38.16 ? 11 DG B "O3'" 1
|
| 1595 |
+
ATOM 216 C "C2'" . DG B 2 1 ? 57.166 48.157 19.503 1.00 41.01 ? 11 DG B "C2'" 1
|
| 1596 |
+
ATOM 217 C "C1'" . DG B 2 1 ? 57.261 48.334 21.005 1.00 38.21 ? 11 DG B "C1'" 1
|
| 1597 |
+
ATOM 218 N N9 . DG B 2 1 ? 57.174 47.088 21.769 1.00 39.14 ? 11 DG B N9 1
|
| 1598 |
+
ATOM 219 C C8 . DG B 2 1 ? 56.112 46.670 22.525 1.00 35.51 ? 11 DG B C8 1
|
| 1599 |
+
ATOM 220 N N7 . DG B 2 1 ? 56.334 45.549 23.142 1.00 31.82 ? 11 DG B N7 1
|
| 1600 |
+
ATOM 221 C C5 . DG B 2 1 ? 57.618 45.188 22.762 1.00 32.75 ? 11 DG B C5 1
|
| 1601 |
+
ATOM 222 C C6 . DG B 2 1 ? 58.403 44.062 23.142 1.00 33.69 ? 11 DG B C6 1
|
| 1602 |
+
ATOM 223 O O6 . DG B 2 1 ? 58.086 43.114 23.897 1.00 31.97 ? 11 DG B O6 1
|
| 1603 |
+
ATOM 224 N N1 . DG B 2 1 ? 59.666 44.096 22.556 1.00 30.45 ? 11 DG B N1 1
|
| 1604 |
+
ATOM 225 C C2 . DG B 2 1 ? 60.107 45.074 21.700 1.00 31.43 ? 11 DG B C2 1
|
| 1605 |
+
ATOM 226 N N2 . DG B 2 1 ? 61.356 44.943 21.258 1.00 24.75 ? 11 DG B N2 1
|
| 1606 |
+
ATOM 227 N N3 . DG B 2 1 ? 59.375 46.115 21.315 1.00 32.73 ? 11 DG B N3 1
|
| 1607 |
+
ATOM 228 C C4 . DG B 2 1 ? 58.150 46.113 21.898 1.00 35.53 ? 11 DG B C4 1
|
| 1608 |
+
ATOM 229 P P . DG B 2 2 ? 55.497 47.932 16.731 1.00 39.44 ? 12 DG B P 1
|
| 1609 |
+
ATOM 230 O OP1 . DG B 2 2 ? 55.265 48.648 15.460 1.00 49.40 ? 12 DG B OP1 1
|
| 1610 |
+
ATOM 231 O OP2 . DG B 2 2 ? 54.492 46.977 17.215 1.00 44.42 ? 12 DG B OP2 1
|
| 1611 |
+
ATOM 232 O "O5'" . DG B 2 2 ? 56.884 47.153 16.638 1.00 44.95 ? 12 DG B "O5'" 1
|
| 1612 |
+
ATOM 233 C "C5'" . DG B 2 2 ? 58.095 47.813 16.227 1.00 42.65 ? 12 DG B "C5'" 1
|
| 1613 |
+
ATOM 234 C "C4'" . DG B 2 2 ? 59.267 46.852 16.278 1.00 41.99 ? 12 DG B "C4'" 1
|
| 1614 |
+
ATOM 235 O "O4'" . DG B 2 2 ? 59.577 46.409 17.623 1.00 40.78 ? 12 DG B "O4'" 1
|
| 1615 |
+
ATOM 236 C "C3'" . DG B 2 2 ? 59.089 45.568 15.488 1.00 38.99 ? 12 DG B "C3'" 1
|
| 1616 |
+
ATOM 237 O "O3'" . DG B 2 2 ? 59.431 45.830 14.139 1.00 40.67 ? 12 DG B "O3'" 1
|
| 1617 |
+
ATOM 238 C "C2'" . DG B 2 2 ? 60.121 44.655 16.126 1.00 38.96 ? 12 DG B "C2'" 1
|
| 1618 |
+
ATOM 239 C "C1'" . DG B 2 2 ? 60.091 45.068 17.587 1.00 38.33 ? 12 DG B "C1'" 1
|
| 1619 |
+
ATOM 240 N N9 . DG B 2 2 ? 59.237 44.230 18.434 1.00 39.21 ? 12 DG B N9 1
|
| 1620 |
+
ATOM 241 C C8 . DG B 2 2 ? 57.928 44.473 18.791 1.00 35.16 ? 12 DG B C8 1
|
| 1621 |
+
ATOM 242 N N7 . DG B 2 2 ? 57.431 43.550 19.572 1.00 36.48 ? 12 DG B N7 1
|
| 1622 |
+
ATOM 243 C C5 . DG B 2 2 ? 58.463 42.624 19.726 1.00 34.79 ? 12 DG B C5 1
|
| 1623 |
+
ATOM 244 C C6 . DG B 2 2 ? 58.509 41.373 20.442 1.00 33.72 ? 12 DG B C6 1
|
| 1624 |
+
ATOM 245 O O6 . DG B 2 2 ? 57.616 40.813 21.096 1.00 35.55 ? 12 DG B O6 1
|
| 1625 |
+
ATOM 246 N N1 . DG B 2 2 ? 59.755 40.773 20.344 1.00 31.02 ? 12 DG B N1 1
|
| 1626 |
+
ATOM 247 C C2 . DG B 2 2 ? 60.823 41.287 19.664 1.00 30.32 ? 12 DG B C2 1
|
| 1627 |
+
ATOM 248 N N2 . DG B 2 2 ? 61.973 40.579 19.740 1.00 29.62 ? 12 DG B N2 1
|
| 1628 |
+
ATOM 249 N N3 . DG B 2 2 ? 60.786 42.418 18.967 1.00 35.12 ? 12 DG B N3 1
|
| 1629 |
+
ATOM 250 C C4 . DG B 2 2 ? 59.588 43.031 19.044 1.00 36.02 ? 12 DG B C4 1
|
| 1630 |
+
ATOM 251 P P . DC B 2 3 ? 58.910 44.862 12.976 1.00 40.46 ? 13 DC B P 1
|
| 1631 |
+
ATOM 252 O OP1 . DC B 2 3 ? 59.369 45.495 11.725 1.00 44.88 ? 13 DC B OP1 1
|
| 1632 |
+
ATOM 253 O OP2 . DC B 2 3 ? 57.480 44.617 13.177 1.00 43.97 ? 13 DC B OP2 1
|
| 1633 |
+
ATOM 254 O "O5'" . DC B 2 3 ? 59.709 43.504 13.199 1.00 41.86 ? 13 DC B "O5'" 1
|
| 1634 |
+
ATOM 255 C "C5'" . DC B 2 3 ? 61.082 43.383 12.793 1.00 39.26 ? 13 DC B "C5'" 1
|
| 1635 |
+
ATOM 256 C "C4'" . DC B 2 3 ? 61.682 42.103 13.330 1.00 38.44 ? 13 DC B "C4'" 1
|
| 1636 |
+
ATOM 257 O "O4'" . DC B 2 3 ? 61.495 42.051 14.755 1.00 37.86 ? 13 DC B "O4'" 1
|
| 1637 |
+
ATOM 258 C "C3'" . DC B 2 3 ? 61.097 40.785 12.841 1.00 35.68 ? 13 DC B "C3'" 1
|
| 1638 |
+
ATOM 259 O "O3'" . DC B 2 3 ? 61.661 40.404 11.582 1.00 36.53 ? 13 DC B "O3'" 1
|
| 1639 |
+
ATOM 260 C "C2'" . DC B 2 3 ? 61.576 39.832 13.922 1.00 34.44 ? 13 DC B "C2'" 1
|
| 1640 |
+
ATOM 261 C "C1'" . DC B 2 3 ? 61.395 40.678 15.179 1.00 34.56 ? 13 DC B "C1'" 1
|
| 1641 |
+
ATOM 262 N N1 . DC B 2 3 ? 60.100 40.509 15.881 1.00 29.43 ? 13 DC B N1 1
|
| 1642 |
+
ATOM 263 C C2 . DC B 2 3 ? 59.929 39.438 16.789 1.00 26.20 ? 13 DC B C2 1
|
| 1643 |
+
ATOM 264 O O2 . DC B 2 3 ? 60.830 38.589 16.930 1.00 22.38 ? 13 DC B O2 1
|
| 1644 |
+
ATOM 265 N N3 . DC B 2 3 ? 58.761 39.338 17.474 1.00 24.92 ? 13 DC B N3 1
|
| 1645 |
+
ATOM 266 C C4 . DC B 2 3 ? 57.783 40.217 17.262 1.00 21.43 ? 13 DC B C4 1
|
| 1646 |
+
ATOM 267 N N4 . DC B 2 3 ? 56.668 40.077 17.971 1.00 17.62 ? 13 DC B N4 1
|
| 1647 |
+
ATOM 268 C C5 . DC B 2 3 ? 57.911 41.283 16.318 1.00 22.97 ? 13 DC B C5 1
|
| 1648 |
+
ATOM 269 C C6 . DC B 2 3 ? 59.076 41.392 15.658 1.00 25.18 ? 13 DC B C6 1
|
| 1649 |
+
ATOM 270 P P . DG B 2 4 ? 60.909 39.307 10.680 1.00 38.28 ? 14 DG B P 1
|
| 1650 |
+
ATOM 271 O OP1 . DG B 2 4 ? 61.613 39.104 9.393 1.00 42.63 ? 14 DG B OP1 1
|
| 1651 |
+
ATOM 272 O OP2 . DG B 2 4 ? 59.473 39.725 10.693 1.00 40.09 ? 14 DG B OP2 1
|
| 1652 |
+
ATOM 273 O "O5'" . DG B 2 4 ? 61.063 37.941 11.475 1.00 36.97 ? 14 DG B "O5'" 1
|
| 1653 |
+
ATOM 274 C "C5'" . DG B 2 4 ? 62.276 37.192 11.428 1.00 31.97 ? 14 DG B "C5'" 1
|
| 1654 |
+
ATOM 275 C "C4'" . DG B 2 4 ? 62.120 35.937 12.245 1.00 31.01 ? 14 DG B "C4'" 1
|
| 1655 |
+
ATOM 276 O "O4'" . DG B 2 4 ? 61.706 36.279 13.586 1.00 32.11 ? 14 DG B "O4'" 1
|
| 1656 |
+
ATOM 277 C "C3'" . DG B 2 4 ? 60.994 35.059 11.745 1.00 32.58 ? 14 DG B "C3'" 1
|
| 1657 |
+
ATOM 278 O "O3'" . DG B 2 4 ? 61.472 34.207 10.719 1.00 34.74 ? 14 DG B "O3'" 1
|
| 1658 |
+
ATOM 279 C "C2'" . DG B 2 4 ? 60.648 34.243 12.978 1.00 33.96 ? 14 DG B "C2'" 1
|
| 1659 |
+
ATOM 280 C "C1'" . DG B 2 4 ? 60.858 35.243 14.099 1.00 30.93 ? 14 DG B "C1'" 1
|
| 1660 |
+
ATOM 281 N N9 . DG B 2 4 ? 59.605 35.844 14.534 1.00 27.06 ? 14 DG B N9 1
|
| 1661 |
+
ATOM 282 C C8 . DG B 2 4 ? 59.091 37.066 14.186 1.00 29.10 ? 14 DG B C8 1
|
| 1662 |
+
ATOM 283 N N7 . DG B 2 4 ? 57.928 37.311 14.740 1.00 29.53 ? 14 DG B N7 1
|
| 1663 |
+
ATOM 284 C C5 . DG B 2 4 ? 57.674 36.189 15.508 1.00 23.47 ? 14 DG B C5 1
|
| 1664 |
+
ATOM 285 C C6 . DG B 2 4 ? 56.595 35.898 16.367 1.00 23.66 ? 14 DG B C6 1
|
| 1665 |
+
ATOM 286 O O6 . DG B 2 4 ? 55.618 36.613 16.655 1.00 22.04 ? 14 DG B O6 1
|
| 1666 |
+
ATOM 287 N N1 . DG B 2 4 ? 56.736 34.647 16.946 1.00 20.67 ? 14 DG B N1 1
|
| 1667 |
+
ATOM 288 C C2 . DG B 2 4 ? 57.799 33.794 16.742 1.00 23.73 ? 14 DG B C2 1
|
| 1668 |
+
ATOM 289 N N2 . DG B 2 4 ? 57.763 32.628 17.381 1.00 28.49 ? 14 DG B N2 1
|
| 1669 |
+
ATOM 290 N N3 . DG B 2 4 ? 58.824 34.065 15.968 1.00 24.11 ? 14 DG B N3 1
|
| 1670 |
+
ATOM 291 C C4 . DG B 2 4 ? 58.699 35.272 15.386 1.00 26.38 ? 14 DG B C4 1
|
| 1671 |
+
ATOM 292 P P . DC B 2 5 ? 60.438 33.621 9.653 1.00 33.96 ? 15 DC B P 1
|
| 1672 |
+
ATOM 293 O OP1 . DC B 2 5 ? 61.249 33.073 8.537 1.00 37.98 ? 15 DC B OP1 1
|
| 1673 |
+
ATOM 294 O OP2 . DC B 2 5 ? 59.443 34.696 9.392 1.00 31.75 ? 15 DC B OP2 1
|
| 1674 |
+
ATOM 295 O "O5'" . DC B 2 5 ? 59.725 32.425 10.414 1.00 29.09 ? 15 DC B "O5'" 1
|
| 1675 |
+
ATOM 296 C "C5'" . DC B 2 5 ? 60.440 31.249 10.785 1.00 30.29 ? 15 DC B "C5'" 1
|
| 1676 |
+
ATOM 297 C "C4'" . DC B 2 5 ? 59.565 30.405 11.678 1.00 29.77 ? 15 DC B "C4'" 1
|
| 1677 |
+
ATOM 298 O "O4'" . DC B 2 5 ? 59.192 31.236 12.789 1.00 31.39 ? 15 DC B "O4'" 1
|
| 1678 |
+
ATOM 299 C "C3'" . DC B 2 5 ? 58.222 30.064 11.079 1.00 29.41 ? 15 DC B "C3'" 1
|
| 1679 |
+
ATOM 300 O "O3'" . DC B 2 5 ? 58.303 28.908 10.297 1.00 32.74 ? 15 DC B "O3'" 1
|
| 1680 |
+
ATOM 301 C "C2'" . DC B 2 5 ? 57.395 29.786 12.312 1.00 30.68 ? 15 DC B "C2'" 1
|
| 1681 |
+
ATOM 302 C "C1'" . DC B 2 5 ? 57.908 30.854 13.260 1.00 29.79 ? 15 DC B "C1'" 1
|
| 1682 |
+
ATOM 303 N N1 . DC B 2 5 ? 57.076 32.064 13.356 1.00 25.98 ? 15 DC B N1 1
|
| 1683 |
+
ATOM 304 C C2 . DC B 2 5 ? 56.035 32.062 14.271 1.00 27.07 ? 15 DC B C2 1
|
| 1684 |
+
ATOM 305 O O2 . DC B 2 5 ? 55.837 31.041 14.938 1.00 31.49 ? 15 DC B O2 1
|
| 1685 |
+
ATOM 306 N N3 . DC B 2 5 ? 55.255 33.155 14.410 1.00 27.00 ? 15 DC B N3 1
|
| 1686 |
+
ATOM 307 C C4 . DC B 2 5 ? 55.466 34.217 13.639 1.00 28.37 ? 15 DC B C4 1
|
| 1687 |
+
ATOM 308 N N4 . DC B 2 5 ? 54.605 35.257 13.760 1.00 25.37 ? 15 DC B N4 1
|
| 1688 |
+
ATOM 309 C C5 . DC B 2 5 ? 56.547 34.257 12.689 1.00 25.93 ? 15 DC B C5 1
|
| 1689 |
+
ATOM 310 C C6 . DC B 2 5 ? 57.317 33.165 12.583 1.00 23.80 ? 15 DC B C6 1
|
| 1690 |
+
ATOM 311 P P . DC B 2 6 ? 57.279 28.733 9.104 1.00 37.07 ? 16 DC B P 1
|
| 1691 |
+
ATOM 312 O OP1 . DC B 2 6 ? 58.025 28.045 8.004 1.00 37.71 ? 16 DC B OP1 1
|
| 1692 |
+
ATOM 313 O OP2 . DC B 2 6 ? 56.651 30.056 8.868 1.00 32.11 ? 16 DC B OP2 1
|
| 1693 |
+
ATOM 314 O "O5'" . DC B 2 6 ? 56.123 27.767 9.599 1.00 31.60 ? 16 DC B "O5'" 1
|
| 1694 |
+
ATOM 315 C "C5'" . DC B 2 6 ? 56.108 27.166 10.884 1.00 33.85 ? 16 DC B "C5'" 1
|
| 1695 |
+
ATOM 316 C "C4'" . DC B 2 6 ? 54.675 26.906 11.279 1.00 34.54 ? 16 DC B "C4'" 1
|
| 1696 |
+
ATOM 317 O "O4'" . DC B 2 6 ? 54.287 27.716 12.413 1.00 38.01 ? 16 DC B "O4'" 1
|
| 1697 |
+
ATOM 318 C "C3'" . DC B 2 6 ? 53.662 27.275 10.209 1.00 33.98 ? 16 DC B "C3'" 1
|
| 1698 |
+
ATOM 319 O "O3'" . DC B 2 6 ? 53.572 26.252 9.209 1.00 40.49 ? 16 DC B "O3'" 1
|
| 1699 |
+
ATOM 320 C "C2'" . DC B 2 6 ? 52.394 27.394 11.030 1.00 36.50 ? 16 DC B "C2'" 1
|
| 1700 |
+
ATOM 321 C "C1'" . DC B 2 6 ? 52.907 28.042 12.304 1.00 34.89 ? 16 DC B "C1'" 1
|
| 1701 |
+
ATOM 322 N N1 . DC B 2 6 ? 52.773 29.507 12.286 1.00 32.57 ? 16 DC B N1 1
|
| 1702 |
+
ATOM 323 C C2 . DC B 2 6 ? 51.763 30.051 13.048 1.00 30.99 ? 16 DC B C2 1
|
| 1703 |
+
ATOM 324 O O2 . DC B 2 6 ? 51.040 29.268 13.685 1.00 31.59 ? 16 DC B O2 1
|
| 1704 |
+
ATOM 325 N N3 . DC B 2 6 ? 51.582 31.409 13.073 1.00 25.03 ? 16 DC B N3 1
|
| 1705 |
+
ATOM 326 C C4 . DC B 2 6 ? 52.387 32.195 12.359 1.00 22.68 ? 16 DC B C4 1
|
| 1706 |
+
ATOM 327 N N4 . DC B 2 6 ? 52.194 33.483 12.440 1.00 21.90 ? 16 DC B N4 1
|
| 1707 |
+
ATOM 328 C C5 . DC B 2 6 ? 53.438 31.663 11.539 1.00 24.29 ? 16 DC B C5 1
|
| 1708 |
+
ATOM 329 C C6 . DC B 2 6 ? 53.597 30.317 11.537 1.00 28.44 ? 16 DC B C6 1
|
| 1709 |
+
ATOM 330 P P . DC B 2 7 ? 52.412 26.329 8.108 1.00 37.53 ? 17 DC B P 1
|
| 1710 |
+
ATOM 331 O OP1 . DC B 2 7 ? 52.407 25.083 7.365 1.00 41.03 ? 17 DC B OP1 1
|
| 1711 |
+
ATOM 332 O OP2 . DC B 2 7 ? 52.491 27.614 7.363 1.00 37.15 ? 17 DC B OP2 1
|
| 1712 |
+
ATOM 333 O "O5'" . DC B 2 7 ? 51.116 26.308 9.023 1.00 40.86 ? 17 DC B "O5'" 1
|
| 1713 |
+
ATOM 334 C "C5'" . DC B 2 7 ? 49.822 26.182 8.469 1.00 39.75 ? 17 DC B "C5'" 1
|
| 1714 |
+
ATOM 335 C "C4'" . DC B 2 7 ? 48.757 26.759 9.380 1.00 36.01 ? 17 DC B "C4'" 1
|
| 1715 |
+
ATOM 336 O "O4'" . DC B 2 7 ? 49.222 27.683 10.396 1.00 33.49 ? 17 DC B "O4'" 1
|
| 1716 |
+
ATOM 337 C "C3'" . DC B 2 7 ? 47.859 27.607 8.491 1.00 37.04 ? 17 DC B "C3'" 1
|
| 1717 |
+
ATOM 338 O "O3'" . DC B 2 7 ? 46.960 26.747 7.817 1.00 37.17 ? 17 DC B "O3'" 1
|
| 1718 |
+
ATOM 339 C "C2'" . DC B 2 7 ? 47.190 28.555 9.467 1.00 35.24 ? 17 DC B "C2'" 1
|
| 1719 |
+
ATOM 340 C "C1'" . DC B 2 7 ? 48.308 28.793 10.487 1.00 32.20 ? 17 DC B "C1'" 1
|
| 1720 |
+
ATOM 341 N N1 . DC B 2 7 ? 49.047 30.055 10.225 1.00 28.99 ? 17 DC B N1 1
|
| 1721 |
+
ATOM 342 C C2 . DC B 2 7 ? 48.474 31.268 10.685 1.00 24.88 ? 17 DC B C2 1
|
| 1722 |
+
ATOM 343 O O2 . DC B 2 7 ? 47.421 31.223 11.325 1.00 28.14 ? 17 DC B O2 1
|
| 1723 |
+
ATOM 344 N N3 . DC B 2 7 ? 49.094 32.447 10.427 1.00 20.90 ? 17 DC B N3 1
|
| 1724 |
+
ATOM 345 C C4 . DC B 2 7 ? 50.243 32.452 9.756 1.00 21.14 ? 17 DC B C4 1
|
| 1725 |
+
ATOM 346 N N4 . DC B 2 7 ? 50.823 33.648 9.520 1.00 21.02 ? 17 DC B N4 1
|
| 1726 |
+
ATOM 347 C C5 . DC B 2 7 ? 50.859 31.228 9.287 1.00 21.55 ? 17 DC B C5 1
|
| 1727 |
+
ATOM 348 C C6 . DC B 2 7 ? 50.236 30.073 9.541 1.00 21.80 ? 17 DC B C6 1
|
| 1728 |
+
ATOM 349 P P . DG B 2 8 ? 46.423 27.163 6.390 1.00 38.19 ? 18 DG B P 1
|
| 1729 |
+
ATOM 350 O OP1 . DG B 2 8 ? 45.842 25.893 5.904 1.00 42.68 ? 18 DG B OP1 1
|
| 1730 |
+
ATOM 351 O OP2 . DG B 2 8 ? 47.529 27.863 5.643 1.00 32.53 ? 18 DG B OP2 1
|
| 1731 |
+
ATOM 352 O "O5'" . DG B 2 8 ? 45.232 28.200 6.646 1.00 37.36 ? 18 DG B "O5'" 1
|
| 1732 |
+
ATOM 353 C "C5'" . DG B 2 8 ? 44.206 27.926 7.612 1.00 33.74 ? 18 DG B "C5'" 1
|
| 1733 |
+
ATOM 354 C "C4'" . DG B 2 8 ? 43.488 29.203 7.953 1.00 30.84 ? 18 DG B "C4'" 1
|
| 1734 |
+
ATOM 355 O "O4'" . DG B 2 8 ? 44.502 30.080 8.447 1.00 31.35 ? 18 DG B "O4'" 1
|
| 1735 |
+
ATOM 356 C "C3'" . DG B 2 8 ? 42.929 29.900 6.720 1.00 34.20 ? 18 DG B "C3'" 1
|
| 1736 |
+
ATOM 357 O "O3'" . DG B 2 8 ? 41.503 29.808 6.681 1.00 38.98 ? 18 DG B "O3'" 1
|
| 1737 |
+
ATOM 358 C "C2'" . DG B 2 8 ? 43.288 31.355 6.917 1.00 37.81 ? 18 DG B "C2'" 1
|
| 1738 |
+
ATOM 359 C "C1'" . DG B 2 8 ? 44.119 31.406 8.178 1.00 35.01 ? 18 DG B "C1'" 1
|
| 1739 |
+
ATOM 360 N N9 . DG B 2 8 ? 45.325 32.198 7.939 1.00 34.43 ? 18 DG B N9 1
|
| 1740 |
+
ATOM 361 C C8 . DG B 2 8 ? 46.536 31.764 7.463 1.00 31.72 ? 18 DG B C8 1
|
| 1741 |
+
ATOM 362 N N7 . DG B 2 8 ? 47.395 32.734 7.300 1.00 30.17 ? 18 DG B N7 1
|
| 1742 |
+
ATOM 363 C C5 . DG B 2 8 ? 46.715 33.869 7.723 1.00 29.20 ? 18 DG B C5 1
|
| 1743 |
+
ATOM 364 C C6 . DG B 2 8 ? 47.140 35.216 7.820 1.00 28.24 ? 18 DG B C6 1
|
| 1744 |
+
ATOM 365 O O6 . DG B 2 8 ? 48.253 35.689 7.592 1.00 27.19 ? 18 DG B O6 1
|
| 1745 |
+
ATOM 366 N N1 . DG B 2 8 ? 46.117 36.043 8.258 1.00 24.37 ? 18 DG B N1 1
|
| 1746 |
+
ATOM 367 C C2 . DG B 2 8 ? 44.871 35.627 8.586 1.00 25.59 ? 18 DG B C2 1
|
| 1747 |
+
ATOM 368 N N2 . DG B 2 8 ? 44.029 36.570 8.927 1.00 26.55 ? 18 DG B N2 1
|
| 1748 |
+
ATOM 369 N N3 . DG B 2 8 ? 44.477 34.376 8.565 1.00 27.45 ? 18 DG B N3 1
|
| 1749 |
+
ATOM 370 C C4 . DG B 2 8 ? 45.440 33.556 8.115 1.00 28.91 ? 18 DG B C4 1
|
| 1750 |
+
ATOM 371 P P . DA B 2 9 ? 40.704 30.230 5.345 1.00 33.09 ? 19 DA B P 1
|
| 1751 |
+
ATOM 372 O OP1 . DA B 2 9 ? 39.351 29.637 5.511 1.00 39.47 ? 19 DA B OP1 1
|
| 1752 |
+
ATOM 373 O OP2 . DA B 2 9 ? 41.516 29.892 4.154 1.00 39.20 ? 19 DA B OP2 1
|
| 1753 |
+
ATOM 374 O "O5'" . DA B 2 9 ? 40.541 31.813 5.402 1.00 30.04 ? 19 DA B "O5'" 1
|
| 1754 |
+
ATOM 375 C "C5'" . DA B 2 9 ? 39.804 32.405 6.455 1.00 32.83 ? 19 DA B "C5'" 1
|
| 1755 |
+
ATOM 376 C "C4'" . DA B 2 9 ? 39.644 33.887 6.226 1.00 37.76 ? 19 DA B "C4'" 1
|
| 1756 |
+
ATOM 377 O "O4'" . DA B 2 9 ? 40.879 34.603 6.430 1.00 35.33 ? 19 DA B "O4'" 1
|
| 1757 |
+
ATOM 378 C "C3'" . DA B 2 9 ? 39.120 34.308 4.860 1.00 39.97 ? 19 DA B "C3'" 1
|
| 1758 |
+
ATOM 379 O "O3'" . DA B 2 9 ? 38.158 35.360 5.041 1.00 46.97 ? 19 DA B "O3'" 1
|
| 1759 |
+
ATOM 380 C "C2'" . DA B 2 9 ? 40.361 34.829 4.167 1.00 37.37 ? 19 DA B "C2'" 1
|
| 1760 |
+
ATOM 381 C "C1'" . DA B 2 9 ? 41.189 35.390 5.303 1.00 32.10 ? 19 DA B "C1'" 1
|
| 1761 |
+
ATOM 382 N N9 . DA B 2 9 ? 42.626 35.255 5.054 1.00 30.45 ? 19 DA B N9 1
|
| 1762 |
+
ATOM 383 C C8 . DA B 2 9 ? 43.304 34.120 4.706 1.00 24.25 ? 19 DA B C8 1
|
| 1763 |
+
ATOM 384 N N7 . DA B 2 9 ? 44.582 34.316 4.502 1.00 28.14 ? 19 DA B N7 1
|
| 1764 |
+
ATOM 385 C C5 . DA B 2 9 ? 44.762 35.676 4.754 1.00 29.31 ? 19 DA B C5 1
|
| 1765 |
+
ATOM 386 C C6 . DA B 2 9 ? 45.895 36.524 4.707 1.00 26.72 ? 19 DA B C6 1
|
| 1766 |
+
ATOM 387 N N6 . DA B 2 9 ? 47.122 36.117 4.387 1.00 30.12 ? 19 DA B N6 1
|
| 1767 |
+
ATOM 388 N N1 . DA B 2 9 ? 45.721 37.818 5.011 1.00 27.31 ? 19 DA B N1 1
|
| 1768 |
+
ATOM 389 C C2 . DA B 2 9 ? 44.509 38.236 5.345 1.00 25.30 ? 19 DA B C2 1
|
| 1769 |
+
ATOM 390 N N3 . DA B 2 9 ? 43.381 37.557 5.420 1.00 30.31 ? 19 DA B N3 1
|
| 1770 |
+
ATOM 391 C C4 . DA B 2 9 ? 43.571 36.262 5.106 1.00 29.90 ? 19 DA B C4 1
|
| 1771 |
+
ATOM 392 P P . DA B 2 10 ? 37.463 36.059 3.769 1.00 48.74 ? 20 DA B P 1
|
| 1772 |
+
ATOM 393 O OP1 . DA B 2 10 ? 36.025 36.179 4.073 1.00 50.01 ? 20 DA B OP1 1
|
| 1773 |
+
ATOM 394 O OP2 . DA B 2 10 ? 37.896 35.410 2.488 1.00 39.66 ? 20 DA B OP2 1
|
| 1774 |
+
ATOM 395 O "O5'" . DA B 2 10 ? 38.078 37.513 3.816 1.00 41.26 ? 20 DA B "O5'" 1
|
| 1775 |
+
ATOM 396 C "C5'" . DA B 2 10 ? 37.891 38.357 2.704 1.00 46.58 ? 20 DA B "C5'" 1
|
| 1776 |
+
ATOM 397 C "C4'" . DA B 2 10 ? 38.803 39.547 2.797 1.00 42.76 ? 20 DA B "C4'" 1
|
| 1777 |
+
ATOM 398 O "O4'" . DA B 2 10 ? 40.147 39.081 3.063 1.00 41.91 ? 20 DA B "O4'" 1
|
| 1778 |
+
ATOM 399 C "C3'" . DA B 2 10 ? 38.870 40.260 1.455 1.00 42.54 ? 20 DA B "C3'" 1
|
| 1779 |
+
ATOM 400 O "O3'" . DA B 2 10 ? 39.150 41.652 1.686 1.00 48.39 ? 20 DA B "O3'" 1
|
| 1780 |
+
ATOM 401 C "C2'" . DA B 2 10 ? 40.033 39.544 0.791 1.00 40.66 ? 20 DA B "C2'" 1
|
| 1781 |
+
ATOM 402 C "C1'" . DA B 2 10 ? 40.964 39.463 1.982 1.00 37.28 ? 20 DA B "C1'" 1
|
| 1782 |
+
ATOM 403 N N9 . DA B 2 10 ? 42.063 38.510 1.881 1.00 35.89 ? 20 DA B N9 1
|
| 1783 |
+
ATOM 404 C C8 . DA B 2 10 ? 42.049 37.151 1.729 1.00 31.21 ? 20 DA B C8 1
|
| 1784 |
+
ATOM 405 N N7 . DA B 2 10 ? 43.249 36.618 1.635 1.00 33.59 ? 20 DA B N7 1
|
| 1785 |
+
ATOM 406 C C5 . DA B 2 10 ? 44.110 37.710 1.745 1.00 33.19 ? 20 DA B C5 1
|
| 1786 |
+
ATOM 407 C C6 . DA B 2 10 ? 45.527 37.835 1.715 1.00 31.15 ? 20 DA B C6 1
|
| 1787 |
+
ATOM 408 N N6 . DA B 2 10 ? 46.364 36.816 1.614 1.00 31.47 ? 20 DA B N6 1
|
| 1788 |
+
ATOM 409 N N1 . DA B 2 10 ? 46.052 39.072 1.813 1.00 31.40 ? 20 DA B N1 1
|
| 1789 |
+
ATOM 410 C C2 . DA B 2 10 ? 45.217 40.112 1.963 1.00 30.99 ? 20 DA B C2 1
|
| 1790 |
+
ATOM 411 N N3 . DA B 2 10 ? 43.885 40.122 2.031 1.00 33.08 ? 20 DA B N3 1
|
| 1791 |
+
ATOM 412 C C4 . DA B 2 10 ? 43.390 38.877 1.905 1.00 34.51 ? 20 DA B C4 1
|
| 1792 |
+
HETATM 413 O O . HOH C 3 . ? 50.611 49.321 8.380 1.00 49.04 ? 21 HOH A O 1
|
| 1793 |
+
HETATM 414 O O . HOH C 3 . ? 40.647 41.417 12.472 1.00 42.29 ? 22 HOH A O 1
|
| 1794 |
+
HETATM 415 O O . HOH C 3 . ? 42.325 43.806 16.550 1.00 60.46 ? 23 HOH A O 1
|
| 1795 |
+
HETATM 416 O O . HOH C 3 . ? 47.795 38.062 15.366 1.00 48.59 ? 24 HOH A O 1
|
| 1796 |
+
HETATM 417 O O . HOH C 3 . ? 49.519 42.892 11.435 1.00 45.34 ? 25 HOH A O 1
|
| 1797 |
+
HETATM 418 O O . HOH C 3 . ? 46.427 36.653 18.479 1.00 35.00 ? 26 HOH A O 1
|
| 1798 |
+
HETATM 419 O O . HOH C 3 . ? 45.714 30.704 24.255 1.00 73.53 ? 27 HOH A O 1
|
| 1799 |
+
HETATM 420 O O . HOH C 3 . ? 44.372 33.202 24.151 1.00 51.04 ? 28 HOH A O 1
|
| 1800 |
+
HETATM 421 O O . HOH C 3 . ? 53.834 35.904 22.966 1.00 53.11 ? 29 HOH A O 1
|
| 1801 |
+
HETATM 422 O O . HOH C 3 . ? 63.242 31.041 27.687 1.00 16.85 ? 31 HOH A O 1
|
| 1802 |
+
HETATM 423 O O . HOH C 3 . ? 61.343 37.031 26.159 1.00 35.96 ? 32 HOH A O 1
|
| 1803 |
+
HETATM 424 O O . HOH C 3 . ? 59.535 38.869 26.207 1.00 46.06 ? 33 HOH A O 1
|
| 1804 |
+
HETATM 425 O O . HOH C 3 . ? 55.837 37.488 24.347 1.00 30.92 ? 34 HOH A O 1
|
| 1805 |
+
HETATM 426 O O . HOH C 3 . ? 66.580 32.493 26.374 1.00 63.59 ? 35 HOH A O 1
|
| 1806 |
+
HETATM 427 O O . HOH C 3 . ? 67.799 34.437 23.359 1.00 45.14 ? 36 HOH A O 1
|
| 1807 |
+
HETATM 428 O O . HOH C 3 . ? 67.194 39.766 19.320 1.00 50.58 ? 37 HOH A O 1
|
| 1808 |
+
HETATM 429 O O . HOH C 3 . ? 61.923 32.226 19.160 1.00 40.24 ? 38 HOH A O 1
|
| 1809 |
+
HETATM 430 O O . HOH C 3 . ? 56.400 29.245 18.781 1.00 65.62 ? 40 HOH A O 1
|
| 1810 |
+
HETATM 431 O O . HOH C 3 . ? 50.654 28.281 18.298 1.00 42.13 ? 41 HOH A O 1
|
| 1811 |
+
HETATM 432 O O . HOH C 3 . ? 42.784 43.989 7.350 1.00 64.08 ? 54 HOH A O 1
|
| 1812 |
+
HETATM 433 O O . HOH C 3 . ? 50.120 39.467 11.413 1.00 49.06 ? 56 HOH A O 1
|
| 1813 |
+
HETATM 434 O O . HOH C 3 . ? 40.372 43.097 10.428 1.00 64.04 ? 58 HOH A O 1
|
| 1814 |
+
HETATM 435 O O . HOH C 3 . ? 39.674 38.694 14.248 1.00 66.18 ? 59 HOH A O 1
|
| 1815 |
+
HETATM 436 O O . HOH C 3 . ? 43.790 37.653 20.680 1.00 41.08 ? 60 HOH A O 1
|
| 1816 |
+
HETATM 437 O O . HOH C 3 . ? 40.116 33.980 18.830 1.00 46.02 ? 61 HOH A O 1
|
| 1817 |
+
HETATM 438 O O . HOH C 3 . ? 57.640 34.811 25.053 1.00 77.56 ? 62 HOH A O 1
|
| 1818 |
+
HETATM 439 O O . HOH C 3 . ? 68.969 39.376 26.809 1.00 57.48 ? 64 HOH A O 1
|
| 1819 |
+
HETATM 440 O O . HOH C 3 . ? 51.704 36.706 9.017 1.00 52.04 ? 68 HOH A O 1
|
| 1820 |
+
HETATM 441 O O . HOH C 3 . ? 49.397 35.110 21.020 1.00 50.34 ? 71 HOH A O 1
|
| 1821 |
+
HETATM 442 O O . HOH C 3 . ? 51.978 30.033 26.816 1.00 64.78 ? 72 HOH A O 1
|
| 1822 |
+
HETATM 443 O O . HOH C 3 . ? 58.452 40.664 28.145 1.00 45.29 ? 73 HOH A O 1
|
| 1823 |
+
HETATM 444 O O . HOH C 3 . ? 58.164 27.792 20.844 1.00 71.55 ? 75 HOH A O 1
|
| 1824 |
+
HETATM 445 O O . HOH C 3 . ? 64.862 37.714 19.428 1.00 50.85 ? 76 HOH A O 1
|
| 1825 |
+
HETATM 446 O O . HOH C 3 . ? 51.853 39.856 8.960 1.00 54.15 ? 78 HOH A O 1
|
| 1826 |
+
HETATM 447 O O . HOH C 3 . ? 39.866 38.730 10.986 1.00 72.48 ? 80 HOH A O 1
|
| 1827 |
+
HETATM 448 O O . HOH C 3 . ? 67.129 34.127 20.218 1.00 50.14 ? 82 HOH A O 1
|
| 1828 |
+
HETATM 449 O O . HOH C 3 . ? 66.893 34.709 28.254 1.00 63.26 ? 83 HOH A O 1
|
| 1829 |
+
HETATM 450 O O . HOH C 3 . ? 64.715 32.859 19.682 1.00 41.40 ? 84 HOH A O 1
|
| 1830 |
+
HETATM 451 O O . HOH C 3 . ? 67.864 38.849 16.158 1.00 50.02 ? 85 HOH A O 1
|
| 1831 |
+
HETATM 452 O O . HOH C 3 . ? 46.826 48.202 13.226 1.00 69.82 ? 86 HOH A O 1
|
| 1832 |
+
HETATM 453 O O . HOH C 3 . ? 63.192 35.006 17.343 1.00 54.05 ? 88 HOH A O 1
|
| 1833 |
+
HETATM 454 O O . HOH C 3 . ? 36.791 40.995 14.165 1.00 63.32 ? 89 HOH A O 1
|
| 1834 |
+
HETATM 455 O O . HOH C 3 . ? 48.283 40.466 14.445 1.00 72.22 ? 90 HOH A O 1
|
| 1835 |
+
HETATM 456 O O . HOH C 3 . ? 54.573 38.247 21.010 1.00 66.70 ? 91 HOH A O 1
|
| 1836 |
+
HETATM 457 O O . HOH C 3 . ? 51.744 47.456 10.847 1.00 47.79 ? 92 HOH A O 1
|
| 1837 |
+
HETATM 458 O O . HOH D 3 . ? 60.112 27.317 6.737 1.00 52.17 ? 30 HOH B O 1
|
| 1838 |
+
HETATM 459 O O . HOH D 3 . ? 60.879 32.551 16.264 1.00 51.91 ? 39 HOH B O 1
|
| 1839 |
+
HETATM 460 O O . HOH D 3 . ? 51.612 27.722 15.920 1.00 59.77 ? 42 HOH B O 1
|
| 1840 |
+
HETATM 461 O O . HOH D 3 . ? 56.356 28.746 15.524 1.00 52.86 ? 43 HOH B O 1
|
| 1841 |
+
HETATM 462 O O . HOH D 3 . ? 53.664 34.789 10.080 1.00 33.54 ? 44 HOH B O 1
|
| 1842 |
+
HETATM 463 O O . HOH D 3 . ? 57.844 36.566 10.602 1.00 58.57 ? 45 HOH B O 1
|
| 1843 |
+
HETATM 464 O O . HOH D 3 . ? 53.476 30.283 7.112 1.00 38.65 ? 46 HOH B O 1
|
| 1844 |
+
HETATM 465 O O . HOH D 3 . ? 50.665 35.085 6.470 1.00 57.61 ? 47 HOH B O 1
|
| 1845 |
+
HETATM 466 O O . HOH D 3 . ? 50.728 24.432 5.061 1.00 45.64 ? 48 HOH B O 1
|
| 1846 |
+
HETATM 467 O O . HOH D 3 . ? 47.194 33.549 3.114 1.00 66.15 ? 49 HOH B O 1
|
| 1847 |
+
HETATM 468 O O . HOH D 3 . ? 55.789 41.156 22.784 1.00 57.34 ? 50 HOH B O 1
|
| 1848 |
+
HETATM 469 O O . HOH D 3 . ? 54.425 44.475 17.042 1.00 50.47 ? 51 HOH B O 1
|
| 1849 |
+
HETATM 470 O O . HOH D 3 . ? 61.218 36.779 7.503 1.00 60.64 ? 52 HOH B O 1
|
| 1850 |
+
HETATM 471 O O . HOH D 3 . ? 34.339 37.387 2.282 1.00 66.35 ? 53 HOH B O 1
|
| 1851 |
+
HETATM 472 O O . HOH D 3 . ? 47.628 30.424 4.173 1.00 60.87 ? 55 HOH B O 1
|
| 1852 |
+
HETATM 473 O O . HOH D 3 . ? 38.226 32.901 2.032 1.00 102.27 ? 57 HOH B O 1
|
| 1853 |
+
HETATM 474 O O . HOH D 3 . ? 56.112 43.736 15.137 1.00 50.78 ? 63 HOH B O 1
|
| 1854 |
+
HETATM 475 O O . HOH D 3 . ? 50.701 26.845 4.104 1.00 61.23 ? 65 HOH B O 1
|
| 1855 |
+
HETATM 476 O O . HOH D 3 . ? 53.367 33.123 7.627 1.00 36.39 ? 66 HOH B O 1
|
| 1856 |
+
HETATM 477 O O . HOH D 3 . ? 56.366 41.476 13.610 1.00 59.55 ? 67 HOH B O 1
|
| 1857 |
+
HETATM 478 O O . HOH D 3 . ? 58.612 25.465 8.787 1.00 52.66 ? 69 HOH B O 1
|
| 1858 |
+
HETATM 479 O O . HOH D 3 . ? 53.393 23.362 11.417 1.00 80.16 ? 70 HOH B O 1
|
| 1859 |
+
HETATM 480 O O . HOH D 3 . ? 55.973 46.493 12.115 1.00 71.85 ? 74 HOH B O 1
|
| 1860 |
+
HETATM 481 O O . HOH D 3 . ? 63.508 38.560 17.218 1.00 59.97 ? 77 HOH B O 1
|
| 1861 |
+
HETATM 482 O O . HOH D 3 . ? 52.669 24.574 15.900 1.00 76.77 ? 79 HOH B O 1
|
| 1862 |
+
HETATM 483 O O . HOH D 3 . ? 56.241 33.396 9.238 1.00 73.53 ? 81 HOH B O 1
|
| 1863 |
+
HETATM 484 O O . HOH D 3 . ? 55.782 25.662 7.120 1.00 69.21 ? 87 HOH B O 1
|
| 1864 |
+
#
|
structures/1hs8.cif
ADDED
|
@@ -0,0 +1,1321 @@
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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_1HS8
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1HS8
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 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 1HS8 pdb_00001hs8 10.2210/pdb1hs8/pdb
|
| 15 |
+
RCSB RCSB012559 ? ?
|
| 16 |
+
WWPDB D_1000012559 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 2003-09-02
|
| 25 |
+
2 'Structure model' 1 1 2008-04-27
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2022-02-23
|
| 28 |
+
5 'Structure model' 1 4 2024-05-22
|
| 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 5 'Structure model' 'Data collection'
|
| 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' database_2
|
| 56 |
+
2 4 'Structure model' pdbx_nmr_software
|
| 57 |
+
3 4 'Structure model' pdbx_struct_assembly
|
| 58 |
+
4 4 'Structure model' pdbx_struct_oper_list
|
| 59 |
+
5 5 'Structure model' chem_comp_atom
|
| 60 |
+
6 5 'Structure model' chem_comp_bond
|
| 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' '_pdbx_nmr_software.name'
|
| 70 |
+
#
|
| 71 |
+
_pdbx_database_status.status_code REL
|
| 72 |
+
_pdbx_database_status.entry_id 1HS8
|
| 73 |
+
_pdbx_database_status.recvd_initial_deposition_date 2000-12-25
|
| 74 |
+
_pdbx_database_status.deposit_site RCSB
|
| 75 |
+
_pdbx_database_status.process_site RCSB
|
| 76 |
+
_pdbx_database_status.SG_entry .
|
| 77 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 78 |
+
_pdbx_database_status.status_code_mr ?
|
| 79 |
+
_pdbx_database_status.status_code_sf ?
|
| 80 |
+
_pdbx_database_status.status_code_cs ?
|
| 81 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 82 |
+
_pdbx_database_status.methods_development_category ?
|
| 83 |
+
#
|
| 84 |
+
loop_
|
| 85 |
+
_pdbx_database_related.db_name
|
| 86 |
+
_pdbx_database_related.db_id
|
| 87 |
+
_pdbx_database_related.details
|
| 88 |
+
_pdbx_database_related.content_type
|
| 89 |
+
PDB 1HS1 'RNA hairpin loop UUAACU as part of hairpin r(GCGUUAACUCGCA)' unspecified
|
| 90 |
+
PDB 1HS2 'RNA hairpin loop UUAAGU as part of hairpin r(GCGUUAAGUCGCA)' unspecified
|
| 91 |
+
PDB 1HS3 'RNA hairpin loop UUAAUU as part of hairpin r(GCGUUAAUUCGCA)' unspecified
|
| 92 |
+
PDB 1HS4 'RNA hairpin loop UUAAAU as part of hairpin r(GCGUUAAAUCGCA)' unspecified
|
| 93 |
+
#
|
| 94 |
+
loop_
|
| 95 |
+
_audit_author.name
|
| 96 |
+
_audit_author.pdbx_ordinal
|
| 97 |
+
'Zhang, H.' 1
|
| 98 |
+
'Ricart, B.' 2
|
| 99 |
+
'Huck, M.' 3
|
| 100 |
+
'Krugh, T.R.' 4
|
| 101 |
+
#
|
| 102 |
+
_citation.id primary
|
| 103 |
+
_citation.title 'Structural Characterization of Six-Nucleotide RNA Hairpin loops r(UCAAUU)'
|
| 104 |
+
_citation.journal_abbrev 'To be Published'
|
| 105 |
+
_citation.journal_volume ?
|
| 106 |
+
_citation.page_first ?
|
| 107 |
+
_citation.page_last ?
|
| 108 |
+
_citation.year ?
|
| 109 |
+
_citation.journal_id_ASTM ?
|
| 110 |
+
_citation.country ?
|
| 111 |
+
_citation.journal_id_ISSN ?
|
| 112 |
+
_citation.journal_id_CSD 0353
|
| 113 |
+
_citation.book_publisher ?
|
| 114 |
+
_citation.pdbx_database_id_PubMed ?
|
| 115 |
+
_citation.pdbx_database_id_DOI ?
|
| 116 |
+
#
|
| 117 |
+
loop_
|
| 118 |
+
_citation_author.citation_id
|
| 119 |
+
_citation_author.name
|
| 120 |
+
_citation_author.ordinal
|
| 121 |
+
_citation_author.identifier_ORCID
|
| 122 |
+
primary 'Zhang, H.' 1 ?
|
| 123 |
+
primary 'Ricart, B.' 2 ?
|
| 124 |
+
primary 'Huck, M.' 3 ?
|
| 125 |
+
primary 'Krugh, T.R.' 4 ?
|
| 126 |
+
#
|
| 127 |
+
_entity.id 1
|
| 128 |
+
_entity.type polymer
|
| 129 |
+
_entity.src_method syn
|
| 130 |
+
_entity.pdbx_description "5'-R(*GP*CP*GP*UP*CP*AP*AP*UP*UP*CP*GP*CP*A)-3'"
|
| 131 |
+
_entity.formula_weight 4117.501
|
| 132 |
+
_entity.pdbx_number_of_molecules 1
|
| 133 |
+
_entity.pdbx_ec ?
|
| 134 |
+
_entity.pdbx_mutation ?
|
| 135 |
+
_entity.pdbx_fragment ?
|
| 136 |
+
_entity.details ?
|
| 137 |
+
#
|
| 138 |
+
_entity_poly.entity_id 1
|
| 139 |
+
_entity_poly.type polyribonucleotide
|
| 140 |
+
_entity_poly.nstd_linkage no
|
| 141 |
+
_entity_poly.nstd_monomer no
|
| 142 |
+
_entity_poly.pdbx_seq_one_letter_code GCGUCAAUUCGCA
|
| 143 |
+
_entity_poly.pdbx_seq_one_letter_code_can GCGUCAAUUCGCA
|
| 144 |
+
_entity_poly.pdbx_strand_id A
|
| 145 |
+
_entity_poly.pdbx_target_identifier ?
|
| 146 |
+
#
|
| 147 |
+
loop_
|
| 148 |
+
_entity_poly_seq.entity_id
|
| 149 |
+
_entity_poly_seq.num
|
| 150 |
+
_entity_poly_seq.mon_id
|
| 151 |
+
_entity_poly_seq.hetero
|
| 152 |
+
1 1 G n
|
| 153 |
+
1 2 C n
|
| 154 |
+
1 3 G n
|
| 155 |
+
1 4 U n
|
| 156 |
+
1 5 C n
|
| 157 |
+
1 6 A n
|
| 158 |
+
1 7 A n
|
| 159 |
+
1 8 U n
|
| 160 |
+
1 9 U n
|
| 161 |
+
1 10 C n
|
| 162 |
+
1 11 G n
|
| 163 |
+
1 12 C n
|
| 164 |
+
1 13 A n
|
| 165 |
+
#
|
| 166 |
+
loop_
|
| 167 |
+
_chem_comp.id
|
| 168 |
+
_chem_comp.type
|
| 169 |
+
_chem_comp.mon_nstd_flag
|
| 170 |
+
_chem_comp.name
|
| 171 |
+
_chem_comp.pdbx_synonyms
|
| 172 |
+
_chem_comp.formula
|
| 173 |
+
_chem_comp.formula_weight
|
| 174 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 175 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 176 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 177 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 178 |
+
#
|
| 179 |
+
loop_
|
| 180 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 181 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 182 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 183 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 184 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 185 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 186 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 187 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 188 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 189 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 190 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 191 |
+
_pdbx_poly_seq_scheme.hetero
|
| 192 |
+
A 1 1 G 1 1 1 G G A . n
|
| 193 |
+
A 1 2 C 2 2 2 C C A . n
|
| 194 |
+
A 1 3 G 3 3 3 G G A . n
|
| 195 |
+
A 1 4 U 4 4 4 U U A . n
|
| 196 |
+
A 1 5 C 5 5 5 C C A . n
|
| 197 |
+
A 1 6 A 6 6 6 A A A . n
|
| 198 |
+
A 1 7 A 7 7 7 A A A . n
|
| 199 |
+
A 1 8 U 8 8 8 U U A . n
|
| 200 |
+
A 1 9 U 9 9 9 U U A . n
|
| 201 |
+
A 1 10 C 10 10 10 C C A . n
|
| 202 |
+
A 1 11 G 11 11 11 G G A . n
|
| 203 |
+
A 1 12 C 12 12 12 C C A . n
|
| 204 |
+
A 1 13 A 13 13 13 A A A . n
|
| 205 |
+
#
|
| 206 |
+
_exptl.entry_id 1HS8
|
| 207 |
+
_exptl.method 'SOLUTION NMR'
|
| 208 |
+
_exptl.crystals_number ?
|
| 209 |
+
#
|
| 210 |
+
_exptl_crystal.id 1
|
| 211 |
+
_exptl_crystal.density_meas ?
|
| 212 |
+
_exptl_crystal.density_Matthews ?
|
| 213 |
+
_exptl_crystal.density_percent_sol ?
|
| 214 |
+
_exptl_crystal.description ?
|
| 215 |
+
#
|
| 216 |
+
_diffrn.id 1
|
| 217 |
+
_diffrn.ambient_temp ?
|
| 218 |
+
_diffrn.ambient_temp_details ?
|
| 219 |
+
_diffrn.crystal_id 1
|
| 220 |
+
#
|
| 221 |
+
_diffrn_radiation.diffrn_id 1
|
| 222 |
+
_diffrn_radiation.wavelength_id 1
|
| 223 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 224 |
+
_diffrn_radiation.monochromator ?
|
| 225 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 226 |
+
_diffrn_radiation.pdbx_scattering_type ?
|
| 227 |
+
#
|
| 228 |
+
_diffrn_radiation_wavelength.id 1
|
| 229 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 230 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 231 |
+
#
|
| 232 |
+
_database_PDB_matrix.entry_id 1HS8
|
| 233 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 234 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 235 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 236 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 237 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 238 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 239 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 240 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 241 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 242 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 243 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 244 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 245 |
+
#
|
| 246 |
+
_struct.entry_id 1HS8
|
| 247 |
+
_struct.title 'SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UCAAUU AS PART OF HAIRPIN R(GCGUCAAUUCGCA)'
|
| 248 |
+
_struct.pdbx_model_details ?
|
| 249 |
+
_struct.pdbx_CASP_flag ?
|
| 250 |
+
_struct.pdbx_model_type_details ?
|
| 251 |
+
#
|
| 252 |
+
_struct_keywords.entry_id 1HS8
|
| 253 |
+
_struct_keywords.pdbx_keywords RNA
|
| 254 |
+
_struct_keywords.text 'ribonucleic acid, hairpin loop, RNA structure, RNA'
|
| 255 |
+
#
|
| 256 |
+
_struct_asym.id A
|
| 257 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 258 |
+
_struct_asym.pdbx_modified N
|
| 259 |
+
_struct_asym.entity_id 1
|
| 260 |
+
_struct_asym.details ?
|
| 261 |
+
#
|
| 262 |
+
_struct_ref.id 1
|
| 263 |
+
_struct_ref.entity_id 1
|
| 264 |
+
_struct_ref.db_name PDB
|
| 265 |
+
_struct_ref.db_code 1HS8
|
| 266 |
+
_struct_ref.pdbx_db_accession 1HS8
|
| 267 |
+
_struct_ref.pdbx_db_isoform ?
|
| 268 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 269 |
+
_struct_ref.pdbx_align_begin ?
|
| 270 |
+
#
|
| 271 |
+
_struct_ref_seq.align_id 1
|
| 272 |
+
_struct_ref_seq.ref_id 1
|
| 273 |
+
_struct_ref_seq.pdbx_PDB_id_code 1HS8
|
| 274 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 275 |
+
_struct_ref_seq.seq_align_beg 1
|
| 276 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 277 |
+
_struct_ref_seq.seq_align_end 13
|
| 278 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 279 |
+
_struct_ref_seq.pdbx_db_accession 1HS8
|
| 280 |
+
_struct_ref_seq.db_align_beg 1
|
| 281 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 282 |
+
_struct_ref_seq.db_align_end 13
|
| 283 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 284 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 285 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 13
|
| 286 |
+
#
|
| 287 |
+
_pdbx_struct_assembly.id 1
|
| 288 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 289 |
+
_pdbx_struct_assembly.method_details ?
|
| 290 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 291 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 292 |
+
#
|
| 293 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 294 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 295 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 296 |
+
#
|
| 297 |
+
_pdbx_struct_oper_list.id 1
|
| 298 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 299 |
+
_pdbx_struct_oper_list.name 1_555
|
| 300 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 301 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 302 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 303 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 304 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 305 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 306 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 307 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 308 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 309 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 310 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 311 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 312 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 313 |
+
#
|
| 314 |
+
_struct_biol.id 1
|
| 315 |
+
#
|
| 316 |
+
loop_
|
| 317 |
+
_struct_conn.id
|
| 318 |
+
_struct_conn.conn_type_id
|
| 319 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 320 |
+
_struct_conn.pdbx_PDB_id
|
| 321 |
+
_struct_conn.ptnr1_label_asym_id
|
| 322 |
+
_struct_conn.ptnr1_label_comp_id
|
| 323 |
+
_struct_conn.ptnr1_label_seq_id
|
| 324 |
+
_struct_conn.ptnr1_label_atom_id
|
| 325 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 326 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 327 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 328 |
+
_struct_conn.ptnr1_symmetry
|
| 329 |
+
_struct_conn.ptnr2_label_asym_id
|
| 330 |
+
_struct_conn.ptnr2_label_comp_id
|
| 331 |
+
_struct_conn.ptnr2_label_seq_id
|
| 332 |
+
_struct_conn.ptnr2_label_atom_id
|
| 333 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 334 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 335 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 336 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 337 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 338 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 339 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 340 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 341 |
+
_struct_conn.ptnr2_symmetry
|
| 342 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 343 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 344 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 345 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 346 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 347 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 348 |
+
_struct_conn.details
|
| 349 |
+
_struct_conn.pdbx_dist_value
|
| 350 |
+
_struct_conn.pdbx_value_order
|
| 351 |
+
_struct_conn.pdbx_role
|
| 352 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 353 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 354 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 355 |
+
hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 11 N1 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 356 |
+
hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 11 O6 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 357 |
+
hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 11 N2 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 358 |
+
hydrog7 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 359 |
+
hydrog8 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 360 |
+
hydrog9 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 361 |
+
hydrog10 hydrog ? ? A U 4 N3 ? ? ? 1_555 A U 9 O4 ? ? A U 4 A U 9 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ?
|
| 362 |
+
hydrog11 hydrog ? ? A U 4 O2 ? ? ? 1_555 A U 9 N3 ? ? A U 4 A U 9 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ?
|
| 363 |
+
#
|
| 364 |
+
_struct_conn_type.id hydrog
|
| 365 |
+
_struct_conn_type.criteria ?
|
| 366 |
+
_struct_conn_type.reference ?
|
| 367 |
+
#
|
| 368 |
+
loop_
|
| 369 |
+
_pdbx_validate_rmsd_angle.id
|
| 370 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 371 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 372 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 373 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 374 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 375 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 376 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 377 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 378 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 379 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 380 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 381 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 382 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 383 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 384 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 385 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 386 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 387 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 388 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 389 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 390 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 391 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 392 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 393 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 394 |
+
1 1 "O4'" A U 4 ? ? "C1'" A U 4 ? ? N1 A U 4 ? ? 113.43 108.50 4.93 0.70 N
|
| 395 |
+
2 1 "O4'" A C 10 ? ? "C1'" A C 10 ? ? N1 A C 10 ? ? 112.72 108.50 4.22 0.70 N
|
| 396 |
+
3 1 "O4'" A C 12 ? ? "C1'" A C 12 ? ? N1 A C 12 ? ? 112.73 108.50 4.23 0.70 N
|
| 397 |
+
#
|
| 398 |
+
_pdbx_validate_planes.id 1
|
| 399 |
+
_pdbx_validate_planes.PDB_model_num 1
|
| 400 |
+
_pdbx_validate_planes.auth_comp_id U
|
| 401 |
+
_pdbx_validate_planes.auth_asym_id A
|
| 402 |
+
_pdbx_validate_planes.auth_seq_id 8
|
| 403 |
+
_pdbx_validate_planes.PDB_ins_code ?
|
| 404 |
+
_pdbx_validate_planes.label_alt_id ?
|
| 405 |
+
_pdbx_validate_planes.rmsd 0.058
|
| 406 |
+
_pdbx_validate_planes.type 'SIDE CHAIN'
|
| 407 |
+
#
|
| 408 |
+
_pdbx_nmr_ensemble.entry_id 1HS8
|
| 409 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 30
|
| 410 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 411 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria 'average structure of 30 conformers'
|
| 412 |
+
_pdbx_nmr_ensemble.average_constraints_per_residue ?
|
| 413 |
+
_pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
|
| 414 |
+
_pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
|
| 415 |
+
_pdbx_nmr_ensemble.average_distance_constraint_violation ?
|
| 416 |
+
_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
|
| 417 |
+
_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
|
| 418 |
+
_pdbx_nmr_ensemble.distance_constraint_violation_method ?
|
| 419 |
+
_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
|
| 420 |
+
_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
|
| 421 |
+
_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
|
| 422 |
+
#
|
| 423 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 424 |
+
_pdbx_nmr_sample_details.contents
|
| 425 |
+
;1 mM RNA oligomer - H2O;
|
| 426 |
+
1 mM RNA oligomer - D2O
|
| 427 |
+
;
|
| 428 |
+
_pdbx_nmr_sample_details.solvent_system ?
|
| 429 |
+
#
|
| 430 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 431 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 293
|
| 432 |
+
_pdbx_nmr_exptl_sample_conditions.pressure '1.0 atm'
|
| 433 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.0
|
| 434 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '0.05 M NaCl, 0.005 M sodium phosphate'
|
| 435 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units ?
|
| 436 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 437 |
+
#
|
| 438 |
+
_pdbx_nmr_exptl.experiment_id 1
|
| 439 |
+
_pdbx_nmr_exptl.solution_id 1
|
| 440 |
+
_pdbx_nmr_exptl.conditions_id 1
|
| 441 |
+
_pdbx_nmr_exptl.type '2D NOESY'
|
| 442 |
+
#
|
| 443 |
+
_pdbx_nmr_refine.entry_id 1HS8
|
| 444 |
+
_pdbx_nmr_refine.method 'restrained molecular dynamics & energy minimization'
|
| 445 |
+
_pdbx_nmr_refine.details ?
|
| 446 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 447 |
+
#
|
| 448 |
+
loop_
|
| 449 |
+
_pdbx_nmr_software.name
|
| 450 |
+
_pdbx_nmr_software.version
|
| 451 |
+
_pdbx_nmr_software.classification
|
| 452 |
+
_pdbx_nmr_software.authors
|
| 453 |
+
_pdbx_nmr_software.ordinal
|
| 454 |
+
Discover 'version 2.98' 'structure solution' MSI 1
|
| 455 |
+
Discover 'version 2.98' refinement MSI 2
|
| 456 |
+
#
|
| 457 |
+
loop_
|
| 458 |
+
_chem_comp_atom.comp_id
|
| 459 |
+
_chem_comp_atom.atom_id
|
| 460 |
+
_chem_comp_atom.type_symbol
|
| 461 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 462 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 463 |
+
_chem_comp_atom.pdbx_ordinal
|
| 464 |
+
A OP3 O N N 1
|
| 465 |
+
A P P N N 2
|
| 466 |
+
A OP1 O N N 3
|
| 467 |
+
A OP2 O N N 4
|
| 468 |
+
A "O5'" O N N 5
|
| 469 |
+
A "C5'" C N N 6
|
| 470 |
+
A "C4'" C N R 7
|
| 471 |
+
A "O4'" O N N 8
|
| 472 |
+
A "C3'" C N S 9
|
| 473 |
+
A "O3'" O N N 10
|
| 474 |
+
A "C2'" C N R 11
|
| 475 |
+
A "O2'" O N N 12
|
| 476 |
+
A "C1'" C N R 13
|
| 477 |
+
A N9 N Y N 14
|
| 478 |
+
A C8 C Y N 15
|
| 479 |
+
A N7 N Y N 16
|
| 480 |
+
A C5 C Y N 17
|
| 481 |
+
A C6 C Y N 18
|
| 482 |
+
A N6 N N N 19
|
| 483 |
+
A N1 N Y N 20
|
| 484 |
+
A C2 C Y N 21
|
| 485 |
+
A N3 N Y N 22
|
| 486 |
+
A C4 C Y N 23
|
| 487 |
+
A HOP3 H N N 24
|
| 488 |
+
A HOP2 H N N 25
|
| 489 |
+
A "H5'" H N N 26
|
| 490 |
+
A "H5''" H N N 27
|
| 491 |
+
A "H4'" H N N 28
|
| 492 |
+
A "H3'" H N N 29
|
| 493 |
+
A "HO3'" H N N 30
|
| 494 |
+
A "H2'" H N N 31
|
| 495 |
+
A "HO2'" H N N 32
|
| 496 |
+
A "H1'" H N N 33
|
| 497 |
+
A H8 H N N 34
|
| 498 |
+
A H61 H N N 35
|
| 499 |
+
A H62 H N N 36
|
| 500 |
+
A H2 H N N 37
|
| 501 |
+
C OP3 O N N 38
|
| 502 |
+
C P P N N 39
|
| 503 |
+
C OP1 O N N 40
|
| 504 |
+
C OP2 O N N 41
|
| 505 |
+
C "O5'" O N N 42
|
| 506 |
+
C "C5'" C N N 43
|
| 507 |
+
C "C4'" C N R 44
|
| 508 |
+
C "O4'" O N N 45
|
| 509 |
+
C "C3'" C N S 46
|
| 510 |
+
C "O3'" O N N 47
|
| 511 |
+
C "C2'" C N R 48
|
| 512 |
+
C "O2'" O N N 49
|
| 513 |
+
C "C1'" C N R 50
|
| 514 |
+
C N1 N N N 51
|
| 515 |
+
C C2 C N N 52
|
| 516 |
+
C O2 O N N 53
|
| 517 |
+
C N3 N N N 54
|
| 518 |
+
C C4 C N N 55
|
| 519 |
+
C N4 N N N 56
|
| 520 |
+
C C5 C N N 57
|
| 521 |
+
C C6 C N N 58
|
| 522 |
+
C HOP3 H N N 59
|
| 523 |
+
C HOP2 H N N 60
|
| 524 |
+
C "H5'" H N N 61
|
| 525 |
+
C "H5''" H N N 62
|
| 526 |
+
C "H4'" H N N 63
|
| 527 |
+
C "H3'" H N N 64
|
| 528 |
+
C "HO3'" H N N 65
|
| 529 |
+
C "H2'" H N N 66
|
| 530 |
+
C "HO2'" H N N 67
|
| 531 |
+
C "H1'" H N N 68
|
| 532 |
+
C H41 H N N 69
|
| 533 |
+
C H42 H N N 70
|
| 534 |
+
C H5 H N N 71
|
| 535 |
+
C H6 H N N 72
|
| 536 |
+
G OP3 O N N 73
|
| 537 |
+
G P P N N 74
|
| 538 |
+
G OP1 O N N 75
|
| 539 |
+
G OP2 O N N 76
|
| 540 |
+
G "O5'" O N N 77
|
| 541 |
+
G "C5'" C N N 78
|
| 542 |
+
G "C4'" C N R 79
|
| 543 |
+
G "O4'" O N N 80
|
| 544 |
+
G "C3'" C N S 81
|
| 545 |
+
G "O3'" O N N 82
|
| 546 |
+
G "C2'" C N R 83
|
| 547 |
+
G "O2'" O N N 84
|
| 548 |
+
G "C1'" C N R 85
|
| 549 |
+
G N9 N Y N 86
|
| 550 |
+
G C8 C Y N 87
|
| 551 |
+
G N7 N Y N 88
|
| 552 |
+
G C5 C Y N 89
|
| 553 |
+
G C6 C N N 90
|
| 554 |
+
G O6 O N N 91
|
| 555 |
+
G N1 N N N 92
|
| 556 |
+
G C2 C N N 93
|
| 557 |
+
G N2 N N N 94
|
| 558 |
+
G N3 N N N 95
|
| 559 |
+
G C4 C Y N 96
|
| 560 |
+
G HOP3 H N N 97
|
| 561 |
+
G HOP2 H N N 98
|
| 562 |
+
G "H5'" H N N 99
|
| 563 |
+
G "H5''" H N N 100
|
| 564 |
+
G "H4'" H N N 101
|
| 565 |
+
G "H3'" H N N 102
|
| 566 |
+
G "HO3'" H N N 103
|
| 567 |
+
G "H2'" H N N 104
|
| 568 |
+
G "HO2'" H N N 105
|
| 569 |
+
G "H1'" H N N 106
|
| 570 |
+
G H8 H N N 107
|
| 571 |
+
G H1 H N N 108
|
| 572 |
+
G H21 H N N 109
|
| 573 |
+
G H22 H N N 110
|
| 574 |
+
U OP3 O N N 111
|
| 575 |
+
U P P N N 112
|
| 576 |
+
U OP1 O N N 113
|
| 577 |
+
U OP2 O N N 114
|
| 578 |
+
U "O5'" O N N 115
|
| 579 |
+
U "C5'" C N N 116
|
| 580 |
+
U "C4'" C N R 117
|
| 581 |
+
U "O4'" O N N 118
|
| 582 |
+
U "C3'" C N S 119
|
| 583 |
+
U "O3'" O N N 120
|
| 584 |
+
U "C2'" C N R 121
|
| 585 |
+
U "O2'" O N N 122
|
| 586 |
+
U "C1'" C N R 123
|
| 587 |
+
U N1 N N N 124
|
| 588 |
+
U C2 C N N 125
|
| 589 |
+
U O2 O N N 126
|
| 590 |
+
U N3 N N N 127
|
| 591 |
+
U C4 C N N 128
|
| 592 |
+
U O4 O N N 129
|
| 593 |
+
U C5 C N N 130
|
| 594 |
+
U C6 C N N 131
|
| 595 |
+
U HOP3 H N N 132
|
| 596 |
+
U HOP2 H N N 133
|
| 597 |
+
U "H5'" H N N 134
|
| 598 |
+
U "H5''" H N N 135
|
| 599 |
+
U "H4'" H N N 136
|
| 600 |
+
U "H3'" H N N 137
|
| 601 |
+
U "HO3'" H N N 138
|
| 602 |
+
U "H2'" H N N 139
|
| 603 |
+
U "HO2'" H N N 140
|
| 604 |
+
U "H1'" H N N 141
|
| 605 |
+
U H3 H N N 142
|
| 606 |
+
U H5 H N N 143
|
| 607 |
+
U H6 H N N 144
|
| 608 |
+
#
|
| 609 |
+
loop_
|
| 610 |
+
_chem_comp_bond.comp_id
|
| 611 |
+
_chem_comp_bond.atom_id_1
|
| 612 |
+
_chem_comp_bond.atom_id_2
|
| 613 |
+
_chem_comp_bond.value_order
|
| 614 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 615 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 616 |
+
_chem_comp_bond.pdbx_ordinal
|
| 617 |
+
A OP3 P sing N N 1
|
| 618 |
+
A OP3 HOP3 sing N N 2
|
| 619 |
+
A P OP1 doub N N 3
|
| 620 |
+
A P OP2 sing N N 4
|
| 621 |
+
A P "O5'" sing N N 5
|
| 622 |
+
A OP2 HOP2 sing N N 6
|
| 623 |
+
A "O5'" "C5'" sing N N 7
|
| 624 |
+
A "C5'" "C4'" sing N N 8
|
| 625 |
+
A "C5'" "H5'" sing N N 9
|
| 626 |
+
A "C5'" "H5''" sing N N 10
|
| 627 |
+
A "C4'" "O4'" sing N N 11
|
| 628 |
+
A "C4'" "C3'" sing N N 12
|
| 629 |
+
A "C4'" "H4'" sing N N 13
|
| 630 |
+
A "O4'" "C1'" sing N N 14
|
| 631 |
+
A "C3'" "O3'" sing N N 15
|
| 632 |
+
A "C3'" "C2'" sing N N 16
|
| 633 |
+
A "C3'" "H3'" sing N N 17
|
| 634 |
+
A "O3'" "HO3'" sing N N 18
|
| 635 |
+
A "C2'" "O2'" sing N N 19
|
| 636 |
+
A "C2'" "C1'" sing N N 20
|
| 637 |
+
A "C2'" "H2'" sing N N 21
|
| 638 |
+
A "O2'" "HO2'" sing N N 22
|
| 639 |
+
A "C1'" N9 sing N N 23
|
| 640 |
+
A "C1'" "H1'" sing N N 24
|
| 641 |
+
A N9 C8 sing Y N 25
|
| 642 |
+
A N9 C4 sing Y N 26
|
| 643 |
+
A C8 N7 doub Y N 27
|
| 644 |
+
A C8 H8 sing N N 28
|
| 645 |
+
A N7 C5 sing Y N 29
|
| 646 |
+
A C5 C6 sing Y N 30
|
| 647 |
+
A C5 C4 doub Y N 31
|
| 648 |
+
A C6 N6 sing N N 32
|
| 649 |
+
A C6 N1 doub Y N 33
|
| 650 |
+
A N6 H61 sing N N 34
|
| 651 |
+
A N6 H62 sing N N 35
|
| 652 |
+
A N1 C2 sing Y N 36
|
| 653 |
+
A C2 N3 doub Y N 37
|
| 654 |
+
A C2 H2 sing N N 38
|
| 655 |
+
A N3 C4 sing Y N 39
|
| 656 |
+
C OP3 P sing N N 40
|
| 657 |
+
C OP3 HOP3 sing N N 41
|
| 658 |
+
C P OP1 doub N N 42
|
| 659 |
+
C P OP2 sing N N 43
|
| 660 |
+
C P "O5'" sing N N 44
|
| 661 |
+
C OP2 HOP2 sing N N 45
|
| 662 |
+
C "O5'" "C5'" sing N N 46
|
| 663 |
+
C "C5'" "C4'" sing N N 47
|
| 664 |
+
C "C5'" "H5'" sing N N 48
|
| 665 |
+
C "C5'" "H5''" sing N N 49
|
| 666 |
+
C "C4'" "O4'" sing N N 50
|
| 667 |
+
C "C4'" "C3'" sing N N 51
|
| 668 |
+
C "C4'" "H4'" sing N N 52
|
| 669 |
+
C "O4'" "C1'" sing N N 53
|
| 670 |
+
C "C3'" "O3'" sing N N 54
|
| 671 |
+
C "C3'" "C2'" sing N N 55
|
| 672 |
+
C "C3'" "H3'" sing N N 56
|
| 673 |
+
C "O3'" "HO3'" sing N N 57
|
| 674 |
+
C "C2'" "O2'" sing N N 58
|
| 675 |
+
C "C2'" "C1'" sing N N 59
|
| 676 |
+
C "C2'" "H2'" sing N N 60
|
| 677 |
+
C "O2'" "HO2'" sing N N 61
|
| 678 |
+
C "C1'" N1 sing N N 62
|
| 679 |
+
C "C1'" "H1'" sing N N 63
|
| 680 |
+
C N1 C2 sing N N 64
|
| 681 |
+
C N1 C6 sing N N 65
|
| 682 |
+
C C2 O2 doub N N 66
|
| 683 |
+
C C2 N3 sing N N 67
|
| 684 |
+
C N3 C4 doub N N 68
|
| 685 |
+
C C4 N4 sing N N 69
|
| 686 |
+
C C4 C5 sing N N 70
|
| 687 |
+
C N4 H41 sing N N 71
|
| 688 |
+
C N4 H42 sing N N 72
|
| 689 |
+
C C5 C6 doub N N 73
|
| 690 |
+
C C5 H5 sing N N 74
|
| 691 |
+
C C6 H6 sing N N 75
|
| 692 |
+
G OP3 P sing N N 76
|
| 693 |
+
G OP3 HOP3 sing N N 77
|
| 694 |
+
G P OP1 doub N N 78
|
| 695 |
+
G P OP2 sing N N 79
|
| 696 |
+
G P "O5'" sing N N 80
|
| 697 |
+
G OP2 HOP2 sing N N 81
|
| 698 |
+
G "O5'" "C5'" sing N N 82
|
| 699 |
+
G "C5'" "C4'" sing N N 83
|
| 700 |
+
G "C5'" "H5'" sing N N 84
|
| 701 |
+
G "C5'" "H5''" sing N N 85
|
| 702 |
+
G "C4'" "O4'" sing N N 86
|
| 703 |
+
G "C4'" "C3'" sing N N 87
|
| 704 |
+
G "C4'" "H4'" sing N N 88
|
| 705 |
+
G "O4'" "C1'" sing N N 89
|
| 706 |
+
G "C3'" "O3'" sing N N 90
|
| 707 |
+
G "C3'" "C2'" sing N N 91
|
| 708 |
+
G "C3'" "H3'" sing N N 92
|
| 709 |
+
G "O3'" "HO3'" sing N N 93
|
| 710 |
+
G "C2'" "O2'" sing N N 94
|
| 711 |
+
G "C2'" "C1'" sing N N 95
|
| 712 |
+
G "C2'" "H2'" sing N N 96
|
| 713 |
+
G "O2'" "HO2'" sing N N 97
|
| 714 |
+
G "C1'" N9 sing N N 98
|
| 715 |
+
G "C1'" "H1'" sing N N 99
|
| 716 |
+
G N9 C8 sing Y N 100
|
| 717 |
+
G N9 C4 sing Y N 101
|
| 718 |
+
G C8 N7 doub Y N 102
|
| 719 |
+
G C8 H8 sing N N 103
|
| 720 |
+
G N7 C5 sing Y N 104
|
| 721 |
+
G C5 C6 sing N N 105
|
| 722 |
+
G C5 C4 doub Y N 106
|
| 723 |
+
G C6 O6 doub N N 107
|
| 724 |
+
G C6 N1 sing N N 108
|
| 725 |
+
G N1 C2 sing N N 109
|
| 726 |
+
G N1 H1 sing N N 110
|
| 727 |
+
G C2 N2 sing N N 111
|
| 728 |
+
G C2 N3 doub N N 112
|
| 729 |
+
G N2 H21 sing N N 113
|
| 730 |
+
G N2 H22 sing N N 114
|
| 731 |
+
G N3 C4 sing N N 115
|
| 732 |
+
U OP3 P sing N N 116
|
| 733 |
+
U OP3 HOP3 sing N N 117
|
| 734 |
+
U P OP1 doub N N 118
|
| 735 |
+
U P OP2 sing N N 119
|
| 736 |
+
U P "O5'" sing N N 120
|
| 737 |
+
U OP2 HOP2 sing N N 121
|
| 738 |
+
U "O5'" "C5'" sing N N 122
|
| 739 |
+
U "C5'" "C4'" sing N N 123
|
| 740 |
+
U "C5'" "H5'" sing N N 124
|
| 741 |
+
U "C5'" "H5''" sing N N 125
|
| 742 |
+
U "C4'" "O4'" sing N N 126
|
| 743 |
+
U "C4'" "C3'" sing N N 127
|
| 744 |
+
U "C4'" "H4'" sing N N 128
|
| 745 |
+
U "O4'" "C1'" sing N N 129
|
| 746 |
+
U "C3'" "O3'" sing N N 130
|
| 747 |
+
U "C3'" "C2'" sing N N 131
|
| 748 |
+
U "C3'" "H3'" sing N N 132
|
| 749 |
+
U "O3'" "HO3'" sing N N 133
|
| 750 |
+
U "C2'" "O2'" sing N N 134
|
| 751 |
+
U "C2'" "C1'" sing N N 135
|
| 752 |
+
U "C2'" "H2'" sing N N 136
|
| 753 |
+
U "O2'" "HO2'" sing N N 137
|
| 754 |
+
U "C1'" N1 sing N N 138
|
| 755 |
+
U "C1'" "H1'" sing N N 139
|
| 756 |
+
U N1 C2 sing N N 140
|
| 757 |
+
U N1 C6 sing N N 141
|
| 758 |
+
U C2 O2 doub N N 142
|
| 759 |
+
U C2 N3 sing N N 143
|
| 760 |
+
U N3 C4 sing N N 144
|
| 761 |
+
U N3 H3 sing N N 145
|
| 762 |
+
U C4 O4 doub N N 146
|
| 763 |
+
U C4 C5 sing N N 147
|
| 764 |
+
U C5 C6 doub N N 148
|
| 765 |
+
U C5 H5 sing N N 149
|
| 766 |
+
U C6 H6 sing N N 150
|
| 767 |
+
#
|
| 768 |
+
loop_
|
| 769 |
+
_ndb_struct_conf_na.entry_id
|
| 770 |
+
_ndb_struct_conf_na.feature
|
| 771 |
+
1HS8 'a-form double helix'
|
| 772 |
+
1HS8 'hairpin loop'
|
| 773 |
+
1HS8 'mismatched base pair'
|
| 774 |
+
#
|
| 775 |
+
loop_
|
| 776 |
+
_ndb_struct_na_base_pair.model_number
|
| 777 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 778 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 779 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 780 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 781 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 782 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 783 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 784 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 785 |
+
_ndb_struct_na_base_pair.shear
|
| 786 |
+
_ndb_struct_na_base_pair.stretch
|
| 787 |
+
_ndb_struct_na_base_pair.stagger
|
| 788 |
+
_ndb_struct_na_base_pair.buckle
|
| 789 |
+
_ndb_struct_na_base_pair.propeller
|
| 790 |
+
_ndb_struct_na_base_pair.opening
|
| 791 |
+
_ndb_struct_na_base_pair.pair_number
|
| 792 |
+
_ndb_struct_na_base_pair.pair_name
|
| 793 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 794 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 795 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 796 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 797 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 798 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 799 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 800 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 801 |
+
1 A G 1 1_555 A C 12 1_555 -0.780 -0.276 0.010 -3.611 -15.759 -0.947 1 A_G1:C12_A A 1 ? A 12 ? 19 1
|
| 802 |
+
1 A C 2 1_555 A G 11 1_555 -0.169 -0.070 -0.062 3.489 -16.601 -1.029 2 A_C2:G11_A A 2 ? A 11 ? 19 1
|
| 803 |
+
1 A G 3 1_555 A C 10 1_555 0.150 -0.085 -0.389 -9.092 -20.931 1.658 3 A_G3:C10_A A 3 ? A 10 ? 19 1
|
| 804 |
+
1 A U 4 1_555 A U 9 1_555 2.253 -1.775 0.447 -0.925 -17.192 11.337 4 A_U4:U9_A A 4 ? A 9 ? 16 1
|
| 805 |
+
#
|
| 806 |
+
loop_
|
| 807 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 808 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 809 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 810 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 811 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 812 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 813 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 814 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 815 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 816 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 817 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 818 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 819 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 820 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 821 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 822 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 823 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 824 |
+
_ndb_struct_na_base_pair_step.shift
|
| 825 |
+
_ndb_struct_na_base_pair_step.slide
|
| 826 |
+
_ndb_struct_na_base_pair_step.rise
|
| 827 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 828 |
+
_ndb_struct_na_base_pair_step.roll
|
| 829 |
+
_ndb_struct_na_base_pair_step.twist
|
| 830 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 831 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 832 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 833 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 834 |
+
_ndb_struct_na_base_pair_step.tip
|
| 835 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 836 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 837 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 838 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 839 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 840 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 841 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 842 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 843 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 844 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 845 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 846 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 847 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 848 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 849 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 850 |
+
1 A G 1 1_555 A C 12 1_555 A C 2 1_555 A G 11 1_555 -0.048 -1.904 2.914 0.622 0.789 33.583 -3.409 0.174 2.868 1.365 -1.077
|
| 851 |
+
33.598 1 AA_G1C2:G11C12_AA A 1 ? A 12 ? A 2 ? A 11 ?
|
| 852 |
+
1 A C 2 1_555 A G 11 1_555 A G 3 1_555 A C 10 1_555 0.221 -1.839 3.403 2.111 19.022 29.783 -5.542 -0.087 1.930 33.062 -3.670
|
| 853 |
+
35.285 2 AA_C2G3:C10G11_AA A 2 ? A 11 ? A 3 ? A 10 ?
|
| 854 |
+
1 A G 3 1_555 A C 10 1_555 A U 4 1_555 A U 9 1_555 0.601 -1.411 2.924 -5.465 2.971 37.686 -2.482 -1.516 2.699 4.561 8.390
|
| 855 |
+
38.178 3 AA_G3U4:U9C10_AA A 3 ? A 10 ? A 4 ? A 9 ?
|
| 856 |
+
#
|
| 857 |
+
_pdbx_nmr_spectrometer.spectrometer_id 1
|
| 858 |
+
_pdbx_nmr_spectrometer.type ?
|
| 859 |
+
_pdbx_nmr_spectrometer.manufacturer Varian
|
| 860 |
+
_pdbx_nmr_spectrometer.model INOVA
|
| 861 |
+
_pdbx_nmr_spectrometer.field_strength 500
|
| 862 |
+
#
|
| 863 |
+
_atom_sites.entry_id 1HS8
|
| 864 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 865 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 866 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 867 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 868 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 869 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 870 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 871 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 872 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 873 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 874 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 875 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 876 |
+
#
|
| 877 |
+
loop_
|
| 878 |
+
_atom_type.symbol
|
| 879 |
+
C
|
| 880 |
+
H
|
| 881 |
+
N
|
| 882 |
+
O
|
| 883 |
+
P
|
| 884 |
+
#
|
| 885 |
+
loop_
|
| 886 |
+
_atom_site.group_PDB
|
| 887 |
+
_atom_site.id
|
| 888 |
+
_atom_site.type_symbol
|
| 889 |
+
_atom_site.label_atom_id
|
| 890 |
+
_atom_site.label_alt_id
|
| 891 |
+
_atom_site.label_comp_id
|
| 892 |
+
_atom_site.label_asym_id
|
| 893 |
+
_atom_site.label_entity_id
|
| 894 |
+
_atom_site.label_seq_id
|
| 895 |
+
_atom_site.pdbx_PDB_ins_code
|
| 896 |
+
_atom_site.Cartn_x
|
| 897 |
+
_atom_site.Cartn_y
|
| 898 |
+
_atom_site.Cartn_z
|
| 899 |
+
_atom_site.occupancy
|
| 900 |
+
_atom_site.B_iso_or_equiv
|
| 901 |
+
_atom_site.pdbx_formal_charge
|
| 902 |
+
_atom_site.auth_seq_id
|
| 903 |
+
_atom_site.auth_comp_id
|
| 904 |
+
_atom_site.auth_asym_id
|
| 905 |
+
_atom_site.auth_atom_id
|
| 906 |
+
_atom_site.pdbx_PDB_model_num
|
| 907 |
+
ATOM 1 O "O5'" . G A 1 1 ? 13.863 17.172 2.627 1.00 0.00 ? 1 G A "O5'" 1
|
| 908 |
+
ATOM 2 C "C5'" . G A 1 1 ? 13.978 17.667 3.942 1.00 0.00 ? 1 G A "C5'" 1
|
| 909 |
+
ATOM 3 C "C4'" . G A 1 1 ? 12.956 17.013 4.886 1.00 0.00 ? 1 G A "C4'" 1
|
| 910 |
+
ATOM 4 O "O4'" . G A 1 1 ? 13.412 15.780 5.426 1.00 0.00 ? 1 G A "O4'" 1
|
| 911 |
+
ATOM 5 C "C3'" . G A 1 1 ? 12.717 17.934 6.076 1.00 0.00 ? 1 G A "C3'" 1
|
| 912 |
+
ATOM 6 O "O3'" . G A 1 1 ? 11.771 18.940 5.741 1.00 0.00 ? 1 G A "O3'" 1
|
| 913 |
+
ATOM 7 C "C2'" . G A 1 1 ? 12.264 16.954 7.152 1.00 0.00 ? 1 G A "C2'" 1
|
| 914 |
+
ATOM 8 O "O2'" . G A 1 1 ? 10.914 16.565 7.008 1.00 0.00 ? 1 G A "O2'" 1
|
| 915 |
+
ATOM 9 C "C1'" . G A 1 1 ? 13.157 15.752 6.827 1.00 0.00 ? 1 G A "C1'" 1
|
| 916 |
+
ATOM 10 N N9 . G A 1 1 ? 14.415 15.839 7.606 1.00 0.00 ? 1 G A N9 1
|
| 917 |
+
ATOM 11 C C8 . G A 1 1 ? 15.702 16.089 7.193 1.00 0.00 ? 1 G A C8 1
|
| 918 |
+
ATOM 12 N N7 . G A 1 1 ? 16.585 16.067 8.151 1.00 0.00 ? 1 G A N7 1
|
| 919 |
+
ATOM 13 C C5 . G A 1 1 ? 15.836 15.792 9.289 1.00 0.00 ? 1 G A C5 1
|
| 920 |
+
ATOM 14 C C6 . G A 1 1 ? 16.243 15.630 10.653 1.00 0.00 ? 1 G A C6 1
|
| 921 |
+
ATOM 15 O O6 . G A 1 1 ? 17.382 15.695 11.105 1.00 0.00 ? 1 G A O6 1
|
| 922 |
+
ATOM 16 N N1 . G A 1 1 ? 15.168 15.374 11.516 1.00 0.00 ? 1 G A N1 1
|
| 923 |
+
ATOM 17 C C2 . G A 1 1 ? 13.840 15.291 11.107 1.00 0.00 ? 1 G A C2 1
|
| 924 |
+
ATOM 18 N N2 . G A 1 1 ? 12.915 15.049 12.044 1.00 0.00 ? 1 G A N2 1
|
| 925 |
+
ATOM 19 N N3 . G A 1 1 ? 13.464 15.433 9.821 1.00 0.00 ? 1 G A N3 1
|
| 926 |
+
ATOM 20 C C4 . G A 1 1 ? 14.502 15.677 8.965 1.00 0.00 ? 1 G A C4 1
|
| 927 |
+
ATOM 21 H "H5'" . G A 1 1 ? 13.799 18.742 3.904 1.00 0.00 ? 1 G A "H5'" 1
|
| 928 |
+
ATOM 22 H "H5''" . G A 1 1 ? 14.991 17.503 4.311 1.00 0.00 ? 1 G A "H5''" 1
|
| 929 |
+
ATOM 23 H "H4'" . G A 1 1 ? 12.008 16.833 4.374 1.00 0.00 ? 1 G A "H4'" 1
|
| 930 |
+
ATOM 24 H "H3'" . G A 1 1 ? 13.677 18.360 6.379 1.00 0.00 ? 1 G A "H3'" 1
|
| 931 |
+
ATOM 25 H "H2'" . G A 1 1 ? 12.429 17.363 8.147 1.00 0.00 ? 1 G A "H2'" 1
|
| 932 |
+
ATOM 26 H "HO2'" . G A 1 1 ? 10.370 17.353 6.998 1.00 0.00 ? 1 G A "HO2'" 1
|
| 933 |
+
ATOM 27 H "H1'" . G A 1 1 ? 12.662 14.815 7.095 1.00 0.00 ? 1 G A "H1'" 1
|
| 934 |
+
ATOM 28 H H8 . G A 1 1 ? 15.967 16.280 6.164 1.00 0.00 ? 1 G A H8 1
|
| 935 |
+
ATOM 29 H H1 . G A 1 1 ? 15.380 15.260 12.494 1.00 0.00 ? 1 G A H1 1
|
| 936 |
+
ATOM 30 H H21 . G A 1 1 ? 13.187 14.920 13.007 1.00 0.00 ? 1 G A H21 1
|
| 937 |
+
ATOM 31 H H22 . G A 1 1 ? 11.939 15.006 11.787 1.00 0.00 ? 1 G A H22 1
|
| 938 |
+
ATOM 32 H "HO5'" . G A 1 1 ? 14.159 16.260 2.612 1.00 0.00 ? 1 G A "HO5'" 1
|
| 939 |
+
ATOM 33 P P . C A 1 2 ? 11.796 20.397 6.429 1.00 0.00 ? 2 C A P 1
|
| 940 |
+
ATOM 34 O OP1 . C A 1 2 ? 10.681 21.200 5.880 1.00 0.00 ? 2 C A OP1 1
|
| 941 |
+
ATOM 35 O OP2 . C A 1 2 ? 13.180 20.920 6.366 1.00 0.00 ? 2 C A OP2 1
|
| 942 |
+
ATOM 36 O "O5'" . C A 1 2 ? 11.465 20.029 7.958 1.00 0.00 ? 2 C A "O5'" 1
|
| 943 |
+
ATOM 37 C "C5'" . C A 1 2 ? 10.166 19.665 8.389 1.00 0.00 ? 2 C A "C5'" 1
|
| 944 |
+
ATOM 38 C "C4'" . C A 1 2 ? 10.219 19.265 9.866 1.00 0.00 ? 2 C A "C4'" 1
|
| 945 |
+
ATOM 39 O "O4'" . C A 1 2 ? 11.134 18.221 10.143 1.00 0.00 ? 2 C A "O4'" 1
|
| 946 |
+
ATOM 40 C "C3'" . C A 1 2 ? 10.687 20.442 10.706 1.00 0.00 ? 2 C A "C3'" 1
|
| 947 |
+
ATOM 41 O "O3'" . C A 1 2 ? 9.637 21.390 10.807 1.00 0.00 ? 2 C A "O3'" 1
|
| 948 |
+
ATOM 42 C "C2'" . C A 1 2 ? 11.085 19.734 11.997 1.00 0.00 ? 2 C A "C2'" 1
|
| 949 |
+
ATOM 43 O "O2'" . C A 1 2 ? 9.958 19.487 12.814 1.00 0.00 ? 2 C A "O2'" 1
|
| 950 |
+
ATOM 44 C "C1'" . C A 1 2 ? 11.669 18.419 11.448 1.00 0.00 ? 2 C A "C1'" 1
|
| 951 |
+
ATOM 45 N N1 . C A 1 2 ? 13.165 18.483 11.442 1.00 0.00 ? 2 C A N1 1
|
| 952 |
+
ATOM 46 C C2 . C A 1 2 ? 13.830 18.190 12.643 1.00 0.00 ? 2 C A C2 1
|
| 953 |
+
ATOM 47 O O2 . C A 1 2 ? 13.202 17.869 13.650 1.00 0.00 ? 2 C A O2 1
|
| 954 |
+
ATOM 48 N N3 . C A 1 2 ? 15.195 18.267 12.668 1.00 0.00 ? 2 C A N3 1
|
| 955 |
+
ATOM 49 C C4 . C A 1 2 ? 15.905 18.629 11.582 1.00 0.00 ? 2 C A C4 1
|
| 956 |
+
ATOM 50 N N4 . C A 1 2 ? 17.240 18.676 11.670 1.00 0.00 ? 2 C A N4 1
|
| 957 |
+
ATOM 51 C C5 . C A 1 2 ? 15.246 18.957 10.343 1.00 0.00 ? 2 C A C5 1
|
| 958 |
+
ATOM 52 C C6 . C A 1 2 ? 13.889 18.875 10.326 1.00 0.00 ? 2 C A C6 1
|
| 959 |
+
ATOM 53 H "H5'" . C A 1 2 ? 9.753 18.846 7.809 1.00 0.00 ? 2 C A "H5'" 1
|
| 960 |
+
ATOM 54 H "H5''" . C A 1 2 ? 9.500 20.522 8.278 1.00 0.00 ? 2 C A "H5''" 1
|
| 961 |
+
ATOM 55 H "H4'" . C A 1 2 ? 9.229 18.941 10.194 1.00 0.00 ? 2 C A "H4'" 1
|
| 962 |
+
ATOM 56 H "H3'" . C A 1 2 ? 11.584 20.883 10.264 1.00 0.00 ? 2 C A "H3'" 1
|
| 963 |
+
ATOM 57 H "H2'" . C A 1 2 ? 11.813 20.315 12.563 1.00 0.00 ? 2 C A "H2'" 1
|
| 964 |
+
ATOM 58 H "HO2'" . C A 1 2 ? 9.585 20.335 13.069 1.00 0.00 ? 2 C A "HO2'" 1
|
| 965 |
+
ATOM 59 H "H1'" . C A 1 2 ? 11.336 17.573 12.054 1.00 0.00 ? 2 C A "H1'" 1
|
| 966 |
+
ATOM 60 H H41 . C A 1 2 ? 17.685 18.451 12.546 1.00 0.00 ? 2 C A H41 1
|
| 967 |
+
ATOM 61 H H42 . C A 1 2 ? 17.802 18.910 10.864 1.00 0.00 ? 2 C A H42 1
|
| 968 |
+
ATOM 62 H H5 . C A 1 2 ? 15.777 19.254 9.449 1.00 0.00 ? 2 C A H5 1
|
| 969 |
+
ATOM 63 H H6 . C A 1 2 ? 13.381 19.131 9.412 1.00 0.00 ? 2 C A H6 1
|
| 970 |
+
ATOM 64 P P . G A 1 3 ? 9.894 22.883 11.335 1.00 0.00 ? 3 G A P 1
|
| 971 |
+
ATOM 65 O OP1 . G A 1 3 ? 8.608 23.612 11.350 1.00 0.00 ? 3 G A OP1 1
|
| 972 |
+
ATOM 66 O OP2 . G A 1 3 ? 11.057 23.441 10.607 1.00 0.00 ? 3 G A OP2 1
|
| 973 |
+
ATOM 67 O "O5'" . G A 1 3 ? 10.315 22.572 12.853 1.00 0.00 ? 3 G A "O5'" 1
|
| 974 |
+
ATOM 68 C "C5'" . G A 1 3 ? 11.141 23.452 13.575 1.00 0.00 ? 3 G A "C5'" 1
|
| 975 |
+
ATOM 69 C "C4'" . G A 1 3 ? 11.448 22.863 14.953 1.00 0.00 ? 3 G A "C4'" 1
|
| 976 |
+
ATOM 70 O "O4'" . G A 1 3 ? 11.975 21.548 14.878 1.00 0.00 ? 3 G A "O4'" 1
|
| 977 |
+
ATOM 71 C "C3'" . G A 1 3 ? 12.515 23.726 15.619 1.00 0.00 ? 3 G A "C3'" 1
|
| 978 |
+
ATOM 72 O "O3'" . G A 1 3 ? 11.947 24.840 16.288 1.00 0.00 ? 3 G A "O3'" 1
|
| 979 |
+
ATOM 73 C "C2'" . G A 1 3 ? 13.179 22.725 16.551 1.00 0.00 ? 3 G A "C2'" 1
|
| 980 |
+
ATOM 74 O "O2'" . G A 1 3 ? 12.421 22.533 17.728 1.00 0.00 ? 3 G A "O2'" 1
|
| 981 |
+
ATOM 75 C "C1'" . G A 1 3 ? 13.141 21.462 15.679 1.00 0.00 ? 3 G A "C1'" 1
|
| 982 |
+
ATOM 76 N N9 . G A 1 3 ? 14.349 21.394 14.821 1.00 0.00 ? 3 G A N9 1
|
| 983 |
+
ATOM 77 C C8 . G A 1 3 ? 14.492 21.521 13.458 1.00 0.00 ? 3 G A C8 1
|
| 984 |
+
ATOM 78 N N7 . G A 1 3 ? 15.720 21.407 13.036 1.00 0.00 ? 3 G A N7 1
|
| 985 |
+
ATOM 79 C C5 . G A 1 3 ? 16.449 21.189 14.197 1.00 0.00 ? 3 G A C5 1
|
| 986 |
+
ATOM 80 C C6 . G A 1 3 ? 17.856 20.993 14.384 1.00 0.00 ? 3 G A C6 1
|
| 987 |
+
ATOM 81 O O6 . G A 1 3 ? 18.723 20.927 13.520 1.00 0.00 ? 3 G A O6 1
|
| 988 |
+
ATOM 82 N N1 . G A 1 3 ? 18.209 20.872 15.737 1.00 0.00 ? 3 G A N1 1
|
| 989 |
+
ATOM 83 C C2 . G A 1 3 ? 17.305 20.926 16.793 1.00 0.00 ? 3 G A C2 1
|
| 990 |
+
ATOM 84 N N2 . G A 1 3 ? 17.777 20.773 18.036 1.00 0.00 ? 3 G A N2 1
|
| 991 |
+
ATOM 85 N N3 . G A 1 3 ? 15.982 21.091 16.607 1.00 0.00 ? 3 G A N3 1
|
| 992 |
+
ATOM 86 C C4 . G A 1 3 ? 15.621 21.216 15.294 1.00 0.00 ? 3 G A C4 1
|
| 993 |
+
ATOM 87 H "H5'" . G A 1 3 ? 10.633 24.409 13.701 1.00 0.00 ? 3 G A "H5'" 1
|
| 994 |
+
ATOM 88 H "H5''" . G A 1 3 ? 12.073 23.610 13.028 1.00 0.00 ? 3 G A "H5''" 1
|
| 995 |
+
ATOM 89 H "H4'" . G A 1 3 ? 10.543 22.823 15.564 1.00 0.00 ? 3 G A "H4'" 1
|
| 996 |
+
ATOM 90 H "H3'" . G A 1 3 ? 13.253 24.027 14.870 1.00 0.00 ? 3 G A "H3'" 1
|
| 997 |
+
ATOM 91 H "H2'" . G A 1 3 ? 14.185 23.047 16.813 1.00 0.00 ? 3 G A "H2'" 1
|
| 998 |
+
ATOM 92 H "HO2'" . G A 1 3 ? 12.262 23.395 18.121 1.00 0.00 ? 3 G A "HO2'" 1
|
| 999 |
+
ATOM 93 H "H1'" . G A 1 3 ? 13.105 20.561 16.295 1.00 0.00 ? 3 G A "H1'" 1
|
| 1000 |
+
ATOM 94 H H8 . G A 1 3 ? 13.670 21.702 12.784 1.00 0.00 ? 3 G A H8 1
|
| 1001 |
+
ATOM 95 H H1 . G A 1 3 ? 19.185 20.727 15.941 1.00 0.00 ? 3 G A H1 1
|
| 1002 |
+
ATOM 96 H H21 . G A 1 3 ? 18.761 20.613 18.193 1.00 0.00 ? 3 G A H21 1
|
| 1003 |
+
ATOM 97 H H22 . G A 1 3 ? 17.141 20.807 18.820 1.00 0.00 ? 3 G A H22 1
|
| 1004 |
+
ATOM 98 P P . U A 1 4 ? 12.676 26.278 16.299 1.00 0.00 ? 4 U A P 1
|
| 1005 |
+
ATOM 99 O OP1 . U A 1 4 ? 11.969 27.152 17.262 1.00 0.00 ? 4 U A OP1 1
|
| 1006 |
+
ATOM 100 O OP2 . U A 1 4 ? 12.847 26.717 14.895 1.00 0.00 ? 4 U A OP2 1
|
| 1007 |
+
ATOM 101 O "O5'" . U A 1 4 ? 14.132 25.919 16.895 1.00 0.00 ? 4 U A "O5'" 1
|
| 1008 |
+
ATOM 102 C "C5'" . U A 1 4 ? 14.341 25.641 18.268 1.00 0.00 ? 4 U A "C5'" 1
|
| 1009 |
+
ATOM 103 C "C4'" . U A 1 4 ? 15.814 25.301 18.522 1.00 0.00 ? 4 U A "C4'" 1
|
| 1010 |
+
ATOM 104 O "O4'" . U A 1 4 ? 16.240 24.139 17.830 1.00 0.00 ? 4 U A "O4'" 1
|
| 1011 |
+
ATOM 105 C "C3'" . U A 1 4 ? 16.753 26.404 18.047 1.00 0.00 ? 4 U A "C3'" 1
|
| 1012 |
+
ATOM 106 O "O3'" . U A 1 4 ? 16.716 27.536 18.902 1.00 0.00 ? 4 U A "O3'" 1
|
| 1013 |
+
ATOM 107 C "C2'" . U A 1 4 ? 18.075 25.641 18.029 1.00 0.00 ? 4 U A "C2'" 1
|
| 1014 |
+
ATOM 108 O "O2'" . U A 1 4 ? 18.618 25.499 19.322 1.00 0.00 ? 4 U A "O2'" 1
|
| 1015 |
+
ATOM 109 C "C1'" . U A 1 4 ? 17.626 24.261 17.529 1.00 0.00 ? 4 U A "C1'" 1
|
| 1016 |
+
ATOM 110 N N1 . U A 1 4 ? 17.930 24.139 16.073 1.00 0.00 ? 4 U A N1 1
|
| 1017 |
+
ATOM 111 C C2 . U A 1 4 ? 19.265 23.885 15.726 1.00 0.00 ? 4 U A C2 1
|
| 1018 |
+
ATOM 112 O O2 . U A 1 4 ? 20.144 23.706 16.567 1.00 0.00 ? 4 U A O2 1
|
| 1019 |
+
ATOM 113 N N3 . U A 1 4 ? 19.560 23.852 14.365 1.00 0.00 ? 4 U A N3 1
|
| 1020 |
+
ATOM 114 C C4 . U A 1 4 ? 18.648 24.058 13.329 1.00 0.00 ? 4 U A C4 1
|
| 1021 |
+
ATOM 115 O O4 . U A 1 4 ? 19.015 23.983 12.160 1.00 0.00 ? 4 U A O4 1
|
| 1022 |
+
ATOM 116 C C5 . U A 1 4 ? 17.291 24.348 13.774 1.00 0.00 ? 4 U A C5 1
|
| 1023 |
+
ATOM 117 C C6 . U A 1 4 ? 16.978 24.380 15.096 1.00 0.00 ? 4 U A C6 1
|
| 1024 |
+
ATOM 118 H "H5'" . U A 1 4 ? 13.720 24.810 18.601 1.00 0.00 ? 4 U A "H5'" 1
|
| 1025 |
+
ATOM 119 H "H5''" . U A 1 4 ? 14.087 26.527 18.852 1.00 0.00 ? 4 U A "H5''" 1
|
| 1026 |
+
ATOM 120 H "H4'" . U A 1 4 ? 15.960 25.133 19.592 1.00 0.00 ? 4 U A "H4'" 1
|
| 1027 |
+
ATOM 121 H "H3'" . U A 1 4 ? 16.496 26.684 17.022 1.00 0.00 ? 4 U A "H3'" 1
|
| 1028 |
+
ATOM 122 H "H2'" . U A 1 4 ? 18.801 26.127 17.380 1.00 0.00 ? 4 U A "H2'" 1
|
| 1029 |
+
ATOM 123 H "HO2'" . U A 1 4 ? 18.670 26.371 19.708 1.00 0.00 ? 4 U A "HO2'" 1
|
| 1030 |
+
ATOM 124 H "H1'" . U A 1 4 ? 18.149 23.474 18.077 1.00 0.00 ? 4 U A "H1'" 1
|
| 1031 |
+
ATOM 125 H H3 . U A 1 4 ? 20.517 23.667 14.105 1.00 0.00 ? 4 U A H3 1
|
| 1032 |
+
ATOM 126 H H5 . U A 1 4 ? 16.518 24.531 13.041 1.00 0.00 ? 4 U A H5 1
|
| 1033 |
+
ATOM 127 H H6 . U A 1 4 ? 15.961 24.604 15.378 1.00 0.00 ? 4 U A H6 1
|
| 1034 |
+
ATOM 128 P P . C A 1 5 ? 17.432 28.927 18.505 1.00 0.00 ? 5 C A P 1
|
| 1035 |
+
ATOM 129 O OP1 . C A 1 5 ? 17.093 29.936 19.534 1.00 0.00 ? 5 C A OP1 1
|
| 1036 |
+
ATOM 130 O OP2 . C A 1 5 ? 17.144 29.210 17.081 1.00 0.00 ? 5 C A OP2 1
|
| 1037 |
+
ATOM 131 O "O5'" . C A 1 5 ? 18.997 28.557 18.637 1.00 0.00 ? 5 C A "O5'" 1
|
| 1038 |
+
ATOM 132 C "C5'" . C A 1 5 ? 19.683 28.530 19.880 1.00 0.00 ? 5 C A "C5'" 1
|
| 1039 |
+
ATOM 133 C "C4'" . C A 1 5 ? 21.169 28.217 19.638 1.00 0.00 ? 5 C A "C4'" 1
|
| 1040 |
+
ATOM 134 O "O4'" . C A 1 5 ? 21.421 27.010 18.936 1.00 0.00 ? 5 C A "O4'" 1
|
| 1041 |
+
ATOM 135 C "C3'" . C A 1 5 ? 21.794 29.294 18.765 1.00 0.00 ? 5 C A "C3'" 1
|
| 1042 |
+
ATOM 136 O "O3'" . C A 1 5 ? 21.931 30.496 19.502 1.00 0.00 ? 5 C A "O3'" 1
|
| 1043 |
+
ATOM 137 C "C2'" . C A 1 5 ? 23.094 28.619 18.342 1.00 0.00 ? 5 C A "C2'" 1
|
| 1044 |
+
ATOM 138 O "O2'" . C A 1 5 ? 24.096 28.763 19.327 1.00 0.00 ? 5 C A "O2'" 1
|
| 1045 |
+
ATOM 139 C "C1'" . C A 1 5 ? 22.649 27.148 18.215 1.00 0.00 ? 5 C A "C1'" 1
|
| 1046 |
+
ATOM 140 N N1 . C A 1 5 ? 22.497 26.781 16.769 1.00 0.00 ? 5 C A N1 1
|
| 1047 |
+
ATOM 141 C C2 . C A 1 5 ? 23.624 26.317 16.065 1.00 0.00 ? 5 C A C2 1
|
| 1048 |
+
ATOM 142 O O2 . C A 1 5 ? 24.709 26.180 16.621 1.00 0.00 ? 5 C A O2 1
|
| 1049 |
+
ATOM 143 N N3 . C A 1 5 ? 23.493 26.001 14.740 1.00 0.00 ? 5 C A N3 1
|
| 1050 |
+
ATOM 144 C C4 . C A 1 5 ? 22.315 26.135 14.101 1.00 0.00 ? 5 C A C4 1
|
| 1051 |
+
ATOM 145 N N4 . C A 1 5 ? 22.239 25.764 12.816 1.00 0.00 ? 5 C A N4 1
|
| 1052 |
+
ATOM 146 C C5 . C A 1 5 ? 21.157 26.665 14.782 1.00 0.00 ? 5 C A C5 1
|
| 1053 |
+
ATOM 147 C C6 . C A 1 5 ? 21.302 26.975 16.098 1.00 0.00 ? 5 C A C6 1
|
| 1054 |
+
ATOM 148 H "H5'" . C A 1 5 ? 19.256 27.816 20.582 1.00 0.00 ? 5 C A "H5'" 1
|
| 1055 |
+
ATOM 149 H "H5''" . C A 1 5 ? 19.614 29.515 20.344 1.00 0.00 ? 5 C A "H5''" 1
|
| 1056 |
+
ATOM 150 H "H4'" . C A 1 5 ? 21.685 28.168 20.600 1.00 0.00 ? 5 C A "H4'" 1
|
| 1057 |
+
ATOM 151 H "H3'" . C A 1 5 ? 21.176 29.437 17.875 1.00 0.00 ? 5 C A "H3'" 1
|
| 1058 |
+
ATOM 152 H "H2'" . C A 1 5 ? 23.465 29.038 17.409 1.00 0.00 ? 5 C A "H2'" 1
|
| 1059 |
+
ATOM 153 H "HO2'" . C A 1 5 ? 24.366 29.684 19.336 1.00 0.00 ? 5 C A "HO2'" 1
|
| 1060 |
+
ATOM 154 H "H1'" . C A 1 5 ? 23.376 26.491 18.697 1.00 0.00 ? 5 C A "H1'" 1
|
| 1061 |
+
ATOM 155 H H41 . C A 1 5 ? 23.058 25.393 12.355 1.00 0.00 ? 5 C A H41 1
|
| 1062 |
+
ATOM 156 H H42 . C A 1 5 ? 21.365 25.839 12.316 1.00 0.00 ? 5 C A H42 1
|
| 1063 |
+
ATOM 157 H H5 . C A 1 5 ? 20.201 26.820 14.302 1.00 0.00 ? 5 C A H5 1
|
| 1064 |
+
ATOM 158 H H6 . C A 1 5 ? 20.461 27.402 16.619 1.00 0.00 ? 5 C A H6 1
|
| 1065 |
+
ATOM 159 P P . A A 1 6 ? 22.104 31.924 18.783 1.00 0.00 ? 6 A A P 1
|
| 1066 |
+
ATOM 160 O OP1 . A A 1 6 ? 22.069 32.970 19.828 1.00 0.00 ? 6 A A OP1 1
|
| 1067 |
+
ATOM 161 O OP2 . A A 1 6 ? 21.165 31.994 17.640 1.00 0.00 ? 6 A A OP2 1
|
| 1068 |
+
ATOM 162 O "O5'" . A A 1 6 ? 23.603 31.840 18.208 1.00 0.00 ? 6 A A "O5'" 1
|
| 1069 |
+
ATOM 163 C "C5'" . A A 1 6 ? 24.134 32.885 17.419 1.00 0.00 ? 6 A A "C5'" 1
|
| 1070 |
+
ATOM 164 C "C4'" . A A 1 6 ? 25.587 32.597 17.042 1.00 0.00 ? 6 A A "C4'" 1
|
| 1071 |
+
ATOM 165 O "O4'" . A A 1 6 ? 26.425 32.533 18.182 1.00 0.00 ? 6 A A "O4'" 1
|
| 1072 |
+
ATOM 166 C "C3'" . A A 1 6 ? 25.787 31.261 16.332 1.00 0.00 ? 6 A A "C3'" 1
|
| 1073 |
+
ATOM 167 O "O3'" . A A 1 6 ? 25.306 31.295 14.993 1.00 0.00 ? 6 A A "O3'" 1
|
| 1074 |
+
ATOM 168 C "C2'" . A A 1 6 ? 27.306 31.154 16.457 1.00 0.00 ? 6 A A "C2'" 1
|
| 1075 |
+
ATOM 169 O "O2'" . A A 1 6 ? 27.954 31.958 15.487 1.00 0.00 ? 6 A A "O2'" 1
|
| 1076 |
+
ATOM 170 C "C1'" . A A 1 6 ? 27.551 31.728 17.862 1.00 0.00 ? 6 A A "C1'" 1
|
| 1077 |
+
ATOM 171 N N9 . A A 1 6 ? 27.737 30.644 18.860 1.00 0.00 ? 6 A A N9 1
|
| 1078 |
+
ATOM 172 C C8 . A A 1 6 ? 26.924 30.254 19.898 1.00 0.00 ? 6 A A C8 1
|
| 1079 |
+
ATOM 173 N N7 . A A 1 6 ? 27.436 29.333 20.667 1.00 0.00 ? 6 A A N7 1
|
| 1080 |
+
ATOM 174 C C5 . A A 1 6 ? 28.677 29.077 20.096 1.00 0.00 ? 6 A A C5 1
|
| 1081 |
+
ATOM 175 C C6 . A A 1 6 ? 29.748 28.206 20.434 1.00 0.00 ? 6 A A C6 1
|
| 1082 |
+
ATOM 176 N N6 . A A 1 6 ? 29.725 27.412 21.511 1.00 0.00 ? 6 A A N6 1
|
| 1083 |
+
ATOM 177 N N1 . A A 1 6 ? 30.835 28.161 19.621 1.00 0.00 ? 6 A A N1 1
|
| 1084 |
+
ATOM 178 C C2 . A A 1 6 ? 30.867 28.948 18.538 1.00 0.00 ? 6 A A C2 1
|
| 1085 |
+
ATOM 179 N N3 . A A 1 6 ? 29.940 29.824 18.131 1.00 0.00 ? 6 A A N3 1
|
| 1086 |
+
ATOM 180 C C4 . A A 1 6 ? 28.853 29.845 18.964 1.00 0.00 ? 6 A A C4 1
|
| 1087 |
+
ATOM 181 H "H5'" . A A 1 6 ? 24.095 33.824 17.972 1.00 0.00 ? 6 A A "H5'" 1
|
| 1088 |
+
ATOM 182 H "H5''" . A A 1 6 ? 23.549 32.982 16.503 1.00 0.00 ? 6 A A "H5''" 1
|
| 1089 |
+
ATOM 183 H "H4'" . A A 1 6 ? 25.944 33.409 16.403 1.00 0.00 ? 6 A A "H4'" 1
|
| 1090 |
+
ATOM 184 H "H3'" . A A 1 6 ? 25.320 30.462 16.913 1.00 0.00 ? 6 A A "H3'" 1
|
| 1091 |
+
ATOM 185 H "H2'" . A A 1 6 ? 27.641 30.127 16.370 1.00 0.00 ? 6 A A "H2'" 1
|
| 1092 |
+
ATOM 186 H "HO2'" . A A 1 6 ? 28.733 32.357 15.881 1.00 0.00 ? 6 A A "HO2'" 1
|
| 1093 |
+
ATOM 187 H "H1'" . A A 1 6 ? 28.445 32.355 17.882 1.00 0.00 ? 6 A A "H1'" 1
|
| 1094 |
+
ATOM 188 H H8 . A A 1 6 ? 25.954 30.690 20.083 1.00 0.00 ? 6 A A H8 1
|
| 1095 |
+
ATOM 189 H H61 . A A 1 6 ? 30.496 26.785 21.692 1.00 0.00 ? 6 A A H61 1
|
| 1096 |
+
ATOM 190 H H62 . A A 1 6 ? 28.911 27.399 22.109 1.00 0.00 ? 6 A A H62 1
|
| 1097 |
+
ATOM 191 H H2 . A A 1 6 ? 31.750 28.873 17.920 1.00 0.00 ? 6 A A H2 1
|
| 1098 |
+
ATOM 192 P P . A A 1 7 ? 24.858 29.957 14.201 1.00 0.00 ? 7 A A P 1
|
| 1099 |
+
ATOM 193 O OP1 . A A 1 7 ? 24.677 30.302 12.773 1.00 0.00 ? 7 A A OP1 1
|
| 1100 |
+
ATOM 194 O OP2 . A A 1 7 ? 23.745 29.327 14.944 1.00 0.00 ? 7 A A OP2 1
|
| 1101 |
+
ATOM 195 O "O5'" . A A 1 7 ? 26.158 29.011 14.340 1.00 0.00 ? 7 A A "O5'" 1
|
| 1102 |
+
ATOM 196 C "C5'" . A A 1 7 ? 27.313 29.183 13.536 1.00 0.00 ? 7 A A "C5'" 1
|
| 1103 |
+
ATOM 197 C "C4'" . A A 1 7 ? 28.408 28.194 13.958 1.00 0.00 ? 7 A A "C4'" 1
|
| 1104 |
+
ATOM 198 O "O4'" . A A 1 7 ? 28.857 28.387 15.284 1.00 0.00 ? 7 A A "O4'" 1
|
| 1105 |
+
ATOM 199 C "C3'" . A A 1 7 ? 27.906 26.758 13.894 1.00 0.00 ? 7 A A "C3'" 1
|
| 1106 |
+
ATOM 200 O "O3'" . A A 1 7 ? 27.941 26.338 12.541 1.00 0.00 ? 7 A A "O3'" 1
|
| 1107 |
+
ATOM 201 C "C2'" . A A 1 7 ? 28.878 26.037 14.822 1.00 0.00 ? 7 A A "C2'" 1
|
| 1108 |
+
ATOM 202 O "O2'" . A A 1 7 ? 30.069 25.654 14.165 1.00 0.00 ? 7 A A "O2'" 1
|
| 1109 |
+
ATOM 203 C "C1'" . A A 1 7 ? 29.192 27.132 15.855 1.00 0.00 ? 7 A A "C1'" 1
|
| 1110 |
+
ATOM 204 N N9 . A A 1 7 ? 28.412 26.906 17.094 1.00 0.00 ? 7 A A N9 1
|
| 1111 |
+
ATOM 205 C C8 . A A 1 7 ? 27.180 27.391 17.463 1.00 0.00 ? 7 A A C8 1
|
| 1112 |
+
ATOM 206 N N7 . A A 1 7 ? 26.739 26.929 18.600 1.00 0.00 ? 7 A A N7 1
|
| 1113 |
+
ATOM 207 C C5 . A A 1 7 ? 27.753 26.082 19.028 1.00 0.00 ? 7 A A C5 1
|
| 1114 |
+
ATOM 208 C C6 . A A 1 7 ? 27.935 25.282 20.187 1.00 0.00 ? 7 A A C6 1
|
| 1115 |
+
ATOM 209 N N6 . A A 1 7 ? 27.029 25.216 21.170 1.00 0.00 ? 7 A A N6 1
|
| 1116 |
+
ATOM 210 N N1 . A A 1 7 ? 29.091 24.582 20.323 1.00 0.00 ? 7 A A N1 1
|
| 1117 |
+
ATOM 211 C C2 . A A 1 7 ? 30.021 24.673 19.363 1.00 0.00 ? 7 A A C2 1
|
| 1118 |
+
ATOM 212 N N3 . A A 1 7 ? 29.960 25.374 18.225 1.00 0.00 ? 7 A A N3 1
|
| 1119 |
+
ATOM 213 C C4 . A A 1 7 ? 28.786 26.071 18.116 1.00 0.00 ? 7 A A C4 1
|
| 1120 |
+
ATOM 214 H "H5'" . A A 1 7 ? 27.695 30.201 13.608 1.00 0.00 ? 7 A A "H5'" 1
|
| 1121 |
+
ATOM 215 H "H5''" . A A 1 7 ? 27.050 28.982 12.496 1.00 0.00 ? 7 A A "H5''" 1
|
| 1122 |
+
ATOM 216 H "H4'" . A A 1 7 ? 29.275 28.312 13.303 1.00 0.00 ? 7 A A "H4'" 1
|
| 1123 |
+
ATOM 217 H "H3'" . A A 1 7 ? 26.912 26.687 14.342 1.00 0.00 ? 7 A A "H3'" 1
|
| 1124 |
+
ATOM 218 H "H2'" . A A 1 7 ? 28.403 25.156 15.254 1.00 0.00 ? 7 A A "H2'" 1
|
| 1125 |
+
ATOM 219 H "HO2'" . A A 1 7 ? 29.900 25.628 13.221 1.00 0.00 ? 7 A A "HO2'" 1
|
| 1126 |
+
ATOM 220 H "H1'" . A A 1 7 ? 30.255 27.140 16.103 1.00 0.00 ? 7 A A "H1'" 1
|
| 1127 |
+
ATOM 221 H H8 . A A 1 7 ? 26.607 28.080 16.862 1.00 0.00 ? 7 A A H8 1
|
| 1128 |
+
ATOM 222 H H61 . A A 1 7 ? 27.212 24.649 21.985 1.00 0.00 ? 7 A A H61 1
|
| 1129 |
+
ATOM 223 H H62 . A A 1 7 ? 26.174 25.749 21.104 1.00 0.00 ? 7 A A H62 1
|
| 1130 |
+
ATOM 224 H H2 . A A 1 7 ? 30.916 24.085 19.504 1.00 0.00 ? 7 A A H2 1
|
| 1131 |
+
ATOM 225 P P . U A 1 8 ? 26.739 25.515 11.857 1.00 0.00 ? 8 U A P 1
|
| 1132 |
+
ATOM 226 O OP1 . U A 1 8 ? 26.974 25.489 10.396 1.00 0.00 ? 8 U A OP1 1
|
| 1133 |
+
ATOM 227 O OP2 . U A 1 8 ? 25.450 26.018 12.383 1.00 0.00 ? 8 U A OP2 1
|
| 1134 |
+
ATOM 228 O "O5'" . U A 1 8 ? 26.997 24.036 12.445 1.00 0.00 ? 8 U A "O5'" 1
|
| 1135 |
+
ATOM 229 C "C5'" . U A 1 8 ? 28.215 23.340 12.220 1.00 0.00 ? 8 U A "C5'" 1
|
| 1136 |
+
ATOM 230 C "C4'" . U A 1 8 ? 27.925 21.836 12.227 1.00 0.00 ? 8 U A "C4'" 1
|
| 1137 |
+
ATOM 231 O "O4'" . U A 1 8 ? 27.029 21.607 11.160 1.00 0.00 ? 8 U A "O4'" 1
|
| 1138 |
+
ATOM 232 C "C3'" . U A 1 8 ? 29.177 20.968 12.007 1.00 0.00 ? 8 U A "C3'" 1
|
| 1139 |
+
ATOM 233 O "O3'" . U A 1 8 ? 29.473 20.117 13.104 1.00 0.00 ? 8 U A "O3'" 1
|
| 1140 |
+
ATOM 234 C "C2'" . U A 1 8 ? 28.851 20.124 10.775 1.00 0.00 ? 8 U A "C2'" 1
|
| 1141 |
+
ATOM 235 O "O2'" . U A 1 8 ? 29.064 18.729 10.911 1.00 0.00 ? 8 U A "O2'" 1
|
| 1142 |
+
ATOM 236 C "C1'" . U A 1 8 ? 27.379 20.427 10.481 1.00 0.00 ? 8 U A "C1'" 1
|
| 1143 |
+
ATOM 237 N N1 . U A 1 8 ? 27.232 20.622 9.016 1.00 0.00 ? 8 U A N1 1
|
| 1144 |
+
ATOM 238 C C2 . U A 1 8 ? 26.741 19.555 8.252 1.00 0.00 ? 8 U A C2 1
|
| 1145 |
+
ATOM 239 O O2 . U A 1 8 ? 26.263 18.536 8.748 1.00 0.00 ? 8 U A O2 1
|
| 1146 |
+
ATOM 240 N N3 . U A 1 8 ? 26.839 19.695 6.868 1.00 0.00 ? 8 U A N3 1
|
| 1147 |
+
ATOM 241 C C4 . U A 1 8 ? 27.414 20.777 6.195 1.00 0.00 ? 8 U A C4 1
|
| 1148 |
+
ATOM 242 O O4 . U A 1 8 ? 27.451 20.793 4.968 1.00 0.00 ? 8 U A O4 1
|
| 1149 |
+
ATOM 243 C C5 . U A 1 8 ? 27.940 21.819 7.065 1.00 0.00 ? 8 U A C5 1
|
| 1150 |
+
ATOM 244 C C6 . U A 1 8 ? 27.828 21.719 8.413 1.00 0.00 ? 8 U A C6 1
|
| 1151 |
+
ATOM 245 H "H5'" . U A 1 8 ? 28.937 23.592 12.996 1.00 0.00 ? 8 U A "H5'" 1
|
| 1152 |
+
ATOM 246 H "H5''" . U A 1 8 ? 28.644 23.600 11.248 1.00 0.00 ? 8 U A "H5''" 1
|
| 1153 |
+
ATOM 247 H "H4'" . U A 1 8 ? 27.435 21.536 13.148 1.00 0.00 ? 8 U A "H4'" 1
|
| 1154 |
+
ATOM 248 H "H3'" . U A 1 8 ? 30.036 21.597 11.761 1.00 0.00 ? 8 U A "H3'" 1
|
| 1155 |
+
ATOM 249 H "H2'" . U A 1 8 ? 29.513 20.465 9.978 1.00 0.00 ? 8 U A "H2'" 1
|
| 1156 |
+
ATOM 250 H "HO2'" . U A 1 8 ? 28.245 18.316 11.192 1.00 0.00 ? 8 U A "HO2'" 1
|
| 1157 |
+
ATOM 251 H "H1'" . U A 1 8 ? 26.729 19.651 10.892 1.00 0.00 ? 8 U A "H1'" 1
|
| 1158 |
+
ATOM 252 H H3 . U A 1 8 ? 26.485 18.935 6.307 1.00 0.00 ? 8 U A H3 1
|
| 1159 |
+
ATOM 253 H H5 . U A 1 8 ? 28.444 22.675 6.639 1.00 0.00 ? 8 U A H5 1
|
| 1160 |
+
ATOM 254 H H6 . U A 1 8 ? 28.267 22.493 9.029 1.00 0.00 ? 8 U A H6 1
|
| 1161 |
+
ATOM 255 P P . U A 1 9 ? 30.343 20.604 14.366 1.00 0.00 ? 9 U A P 1
|
| 1162 |
+
ATOM 256 O OP1 . U A 1 9 ? 31.343 21.595 13.908 1.00 0.00 ? 9 U A OP1 1
|
| 1163 |
+
ATOM 257 O OP2 . U A 1 9 ? 30.787 19.400 15.104 1.00 0.00 ? 9 U A OP2 1
|
| 1164 |
+
ATOM 258 O "O5'" . U A 1 9 ? 29.250 21.367 15.263 1.00 0.00 ? 9 U A "O5'" 1
|
| 1165 |
+
ATOM 259 C "C5'" . U A 1 9 ? 29.638 22.135 16.382 1.00 0.00 ? 9 U A "C5'" 1
|
| 1166 |
+
ATOM 260 C "C4'" . U A 1 9 ? 28.435 22.424 17.282 1.00 0.00 ? 9 U A "C4'" 1
|
| 1167 |
+
ATOM 261 O "O4'" . U A 1 9 ? 27.531 23.373 16.751 1.00 0.00 ? 9 U A "O4'" 1
|
| 1168 |
+
ATOM 262 C "C3'" . U A 1 9 ? 27.578 21.205 17.589 1.00 0.00 ? 9 U A "C3'" 1
|
| 1169 |
+
ATOM 263 O "O3'" . U A 1 9 ? 28.266 20.284 18.423 1.00 0.00 ? 9 U A "O3'" 1
|
| 1170 |
+
ATOM 264 C "C2'" . U A 1 9 ? 26.384 21.912 18.232 1.00 0.00 ? 9 U A "C2'" 1
|
| 1171 |
+
ATOM 265 O "O2'" . U A 1 9 ? 26.635 22.277 19.577 1.00 0.00 ? 9 U A "O2'" 1
|
| 1172 |
+
ATOM 266 C "C1'" . U A 1 9 ? 26.258 23.174 17.361 1.00 0.00 ? 9 U A "C1'" 1
|
| 1173 |
+
ATOM 267 N N1 . U A 1 9 ? 25.162 23.007 16.360 1.00 0.00 ? 9 U A N1 1
|
| 1174 |
+
ATOM 268 C C2 . U A 1 9 ? 23.844 23.257 16.773 1.00 0.00 ? 9 U A C2 1
|
| 1175 |
+
ATOM 269 O O2 . U A 1 9 ? 23.549 23.574 17.925 1.00 0.00 ? 9 U A O2 1
|
| 1176 |
+
ATOM 270 N N3 . U A 1 9 ? 22.859 23.146 15.792 1.00 0.00 ? 9 U A N3 1
|
| 1177 |
+
ATOM 271 C C4 . U A 1 9 ? 23.065 22.769 14.463 1.00 0.00 ? 9 U A C4 1
|
| 1178 |
+
ATOM 272 O O4 . U A 1 9 ? 22.128 22.726 13.673 1.00 0.00 ? 9 U A O4 1
|
| 1179 |
+
ATOM 273 C C5 . U A 1 9 ? 24.445 22.446 14.142 1.00 0.00 ? 9 U A C5 1
|
| 1180 |
+
ATOM 274 C C6 . U A 1 9 ? 25.423 22.572 15.074 1.00 0.00 ? 9 U A C6 1
|
| 1181 |
+
ATOM 275 H "H5'" . U A 1 9 ? 30.097 23.068 16.050 1.00 0.00 ? 9 U A "H5'" 1
|
| 1182 |
+
ATOM 276 H "H5''" . U A 1 9 ? 30.365 21.576 16.976 1.00 0.00 ? 9 U A "H5''" 1
|
| 1183 |
+
ATOM 277 H "H4'" . U A 1 9 ? 28.815 22.806 18.222 1.00 0.00 ? 9 U A "H4'" 1
|
| 1184 |
+
ATOM 278 H "H3'" . U A 1 9 ? 27.257 20.739 16.654 1.00 0.00 ? 9 U A "H3'" 1
|
| 1185 |
+
ATOM 279 H "H2'" . U A 1 9 ? 25.499 21.289 18.188 1.00 0.00 ? 9 U A "H2'" 1
|
| 1186 |
+
ATOM 280 H "HO2'" . U A 1 9 ? 27.104 23.114 19.585 1.00 0.00 ? 9 U A "HO2'" 1
|
| 1187 |
+
ATOM 281 H "H1'" . U A 1 9 ? 26.056 24.055 17.973 1.00 0.00 ? 9 U A "H1'" 1
|
| 1188 |
+
ATOM 282 H H3 . U A 1 9 ? 21.918 23.380 16.064 1.00 0.00 ? 9 U A H3 1
|
| 1189 |
+
ATOM 283 H H5 . U A 1 9 ? 24.691 22.104 13.146 1.00 0.00 ? 9 U A H5 1
|
| 1190 |
+
ATOM 284 H H6 . U A 1 9 ? 26.434 22.324 14.809 1.00 0.00 ? 9 U A H6 1
|
| 1191 |
+
ATOM 285 P P . C A 1 10 ? 27.841 18.727 18.518 1.00 0.00 ? 10 C A P 1
|
| 1192 |
+
ATOM 286 O OP1 . C A 1 10 ? 28.746 18.060 19.482 1.00 0.00 ? 10 C A OP1 1
|
| 1193 |
+
ATOM 287 O OP2 . C A 1 10 ? 27.715 18.194 17.143 1.00 0.00 ? 10 C A OP2 1
|
| 1194 |
+
ATOM 288 O "O5'" . C A 1 10 ? 26.368 18.806 19.171 1.00 0.00 ? 10 C A "O5'" 1
|
| 1195 |
+
ATOM 289 C "C5'" . C A 1 10 ? 26.173 19.020 20.558 1.00 0.00 ? 10 C A "C5'" 1
|
| 1196 |
+
ATOM 290 C "C4'" . C A 1 10 ? 24.708 19.352 20.862 1.00 0.00 ? 10 C A "C4'" 1
|
| 1197 |
+
ATOM 291 O "O4'" . C A 1 10 ? 24.254 20.485 20.140 1.00 0.00 ? 10 C A "O4'" 1
|
| 1198 |
+
ATOM 292 C "C3'" . C A 1 10 ? 23.731 18.235 20.506 1.00 0.00 ? 10 C A "C3'" 1
|
| 1199 |
+
ATOM 293 O "O3'" . C A 1 10 ? 23.796 17.153 21.424 1.00 0.00 ? 10 C A "O3'" 1
|
| 1200 |
+
ATOM 294 C "C2'" . C A 1 10 ? 22.424 19.030 20.539 1.00 0.00 ? 10 C A "C2'" 1
|
| 1201 |
+
ATOM 295 O "O2'" . C A 1 10 ? 21.985 19.250 21.868 1.00 0.00 ? 10 C A "O2'" 1
|
| 1202 |
+
ATOM 296 C "C1'" . C A 1 10 ? 22.862 20.351 19.883 1.00 0.00 ? 10 C A "C1'" 1
|
| 1203 |
+
ATOM 297 N N1 . C A 1 10 ? 22.543 20.330 18.418 1.00 0.00 ? 10 C A N1 1
|
| 1204 |
+
ATOM 298 C C2 . C A 1 10 ? 21.283 20.805 18.014 1.00 0.00 ? 10 C A C2 1
|
| 1205 |
+
ATOM 299 O O2 . C A 1 10 ? 20.511 21.328 18.815 1.00 0.00 ? 10 C A O2 1
|
| 1206 |
+
ATOM 300 N N3 . C A 1 10 ? 20.925 20.667 16.702 1.00 0.00 ? 10 C A N3 1
|
| 1207 |
+
ATOM 301 C C4 . C A 1 10 ? 21.740 20.093 15.796 1.00 0.00 ? 10 C A C4 1
|
| 1208 |
+
ATOM 302 N N4 . C A 1 10 ? 21.310 19.956 14.536 1.00 0.00 ? 10 C A N4 1
|
| 1209 |
+
ATOM 303 C C5 . C A 1 10 ? 23.048 19.623 16.176 1.00 0.00 ? 10 C A C5 1
|
| 1210 |
+
ATOM 304 C C6 . C A 1 10 ? 23.392 19.754 17.484 1.00 0.00 ? 10 C A C6 1
|
| 1211 |
+
ATOM 305 H "H5'" . C A 1 10 ? 26.795 19.844 20.912 1.00 0.00 ? 10 C A "H5'" 1
|
| 1212 |
+
ATOM 306 H "H5''" . C A 1 10 ? 26.450 18.111 21.095 1.00 0.00 ? 10 C A "H5''" 1
|
| 1213 |
+
ATOM 307 H "H4'" . C A 1 10 ? 24.621 19.579 21.927 1.00 0.00 ? 10 C A "H4'" 1
|
| 1214 |
+
ATOM 308 H "H3'" . C A 1 10 ? 23.932 17.889 19.490 1.00 0.00 ? 10 C A "H3'" 1
|
| 1215 |
+
ATOM 309 H "H2'" . C A 1 10 ? 21.628 18.541 19.989 1.00 0.00 ? 10 C A "H2'" 1
|
| 1216 |
+
ATOM 310 H "HO2'" . C A 1 10 ? 22.011 20.190 22.060 1.00 0.00 ? 10 C A "HO2'" 1
|
| 1217 |
+
ATOM 311 H "H1'" . C A 1 10 ? 22.374 21.201 20.362 1.00 0.00 ? 10 C A "H1'" 1
|
| 1218 |
+
ATOM 312 H H41 . C A 1 10 ? 20.385 20.276 14.290 1.00 0.00 ? 10 C A H41 1
|
| 1219 |
+
ATOM 313 H H42 . C A 1 10 ? 21.909 19.554 13.830 1.00 0.00 ? 10 C A H42 1
|
| 1220 |
+
ATOM 314 H H5 . C A 1 10 ? 23.744 19.177 15.479 1.00 0.00 ? 10 C A H5 1
|
| 1221 |
+
ATOM 315 H H6 . C A 1 10 ? 24.354 19.380 17.785 1.00 0.00 ? 10 C A H6 1
|
| 1222 |
+
ATOM 316 P P . G A 1 11 ? 23.176 15.698 21.082 1.00 0.00 ? 11 G A P 1
|
| 1223 |
+
ATOM 317 O OP1 . G A 1 11 ? 23.405 14.814 22.246 1.00 0.00 ? 11 G A OP1 1
|
| 1224 |
+
ATOM 318 O OP2 . G A 1 11 ? 23.663 15.288 19.745 1.00 0.00 ? 11 G A OP2 1
|
| 1225 |
+
ATOM 319 O "O5'" . G A 1 11 ? 21.594 15.991 20.969 1.00 0.00 ? 11 G A "O5'" 1
|
| 1226 |
+
ATOM 320 C "C5'" . G A 1 11 ? 20.781 16.188 22.112 1.00 0.00 ? 11 G A "C5'" 1
|
| 1227 |
+
ATOM 321 C "C4'" . G A 1 11 ? 19.353 16.544 21.687 1.00 0.00 ? 11 G A "C4'" 1
|
| 1228 |
+
ATOM 322 O "O4'" . G A 1 11 ? 19.308 17.701 20.869 1.00 0.00 ? 11 G A "O4'" 1
|
| 1229 |
+
ATOM 323 C "C3'" . G A 1 11 ? 18.687 15.439 20.870 1.00 0.00 ? 11 G A "C3'" 1
|
| 1230 |
+
ATOM 324 O "O3'" . G A 1 11 ? 18.287 14.348 21.685 1.00 0.00 ? 11 G A "O3'" 1
|
| 1231 |
+
ATOM 325 C "C2'" . G A 1 11 ? 17.533 16.231 20.262 1.00 0.00 ? 11 G A "C2'" 1
|
| 1232 |
+
ATOM 326 O "O2'" . G A 1 11 ? 16.495 16.444 21.201 1.00 0.00 ? 11 G A "O2'" 1
|
| 1233 |
+
ATOM 327 C "C1'" . G A 1 11 ? 18.242 17.555 19.942 1.00 0.00 ? 11 G A "C1'" 1
|
| 1234 |
+
ATOM 328 N N9 . G A 1 11 ? 18.737 17.522 18.545 1.00 0.00 ? 11 G A N9 1
|
| 1235 |
+
ATOM 329 C C8 . G A 1 11 ? 19.995 17.295 18.035 1.00 0.00 ? 11 G A C8 1
|
| 1236 |
+
ATOM 330 N N7 . G A 1 11 ? 20.070 17.371 16.737 1.00 0.00 ? 11 G A N7 1
|
| 1237 |
+
ATOM 331 C C5 . G A 1 11 ? 18.763 17.629 16.349 1.00 0.00 ? 11 G A C5 1
|
| 1238 |
+
ATOM 332 C C6 . G A 1 11 ? 18.205 17.793 15.040 1.00 0.00 ? 11 G A C6 1
|
| 1239 |
+
ATOM 333 O O6 . G A 1 11 ? 18.804 17.802 13.972 1.00 0.00 ? 11 G A O6 1
|
| 1240 |
+
ATOM 334 N N1 . G A 1 11 ? 16.810 17.951 15.065 1.00 0.00 ? 11 G A N1 1
|
| 1241 |
+
ATOM 335 C C2 . G A 1 11 ? 16.040 17.945 16.224 1.00 0.00 ? 11 G A C2 1
|
| 1242 |
+
ATOM 336 N N2 . G A 1 11 ? 14.717 18.105 16.102 1.00 0.00 ? 11 G A N2 1
|
| 1243 |
+
ATOM 337 N N3 . G A 1 11 ? 16.575 17.808 17.453 1.00 0.00 ? 11 G A N3 1
|
| 1244 |
+
ATOM 338 C C4 . G A 1 11 ? 17.934 17.658 17.445 1.00 0.00 ? 11 G A C4 1
|
| 1245 |
+
ATOM 339 H "H5'" . G A 1 11 ? 21.176 16.987 22.739 1.00 0.00 ? 11 G A "H5'" 1
|
| 1246 |
+
ATOM 340 H "H5''" . G A 1 11 ? 20.749 15.267 22.696 1.00 0.00 ? 11 G A "H5''" 1
|
| 1247 |
+
ATOM 341 H "H4'" . G A 1 11 ? 18.758 16.743 22.581 1.00 0.00 ? 11 G A "H4'" 1
|
| 1248 |
+
ATOM 342 H "H3'" . G A 1 11 ? 19.365 15.118 20.075 1.00 0.00 ? 11 G A "H3'" 1
|
| 1249 |
+
ATOM 343 H "H2'" . G A 1 11 ? 17.125 15.744 19.378 1.00 0.00 ? 11 G A "H2'" 1
|
| 1250 |
+
ATOM 344 H "HO2'" . G A 1 11 ? 16.347 17.387 21.301 1.00 0.00 ? 11 G A "HO2'" 1
|
| 1251 |
+
ATOM 345 H "H1'" . G A 1 11 ? 17.561 18.403 20.041 1.00 0.00 ? 11 G A "H1'" 1
|
| 1252 |
+
ATOM 346 H H8 . G A 1 11 ? 20.856 17.066 18.639 1.00 0.00 ? 11 G A H8 1
|
| 1253 |
+
ATOM 347 H H1 . G A 1 11 ? 16.349 18.065 14.176 1.00 0.00 ? 11 G A H1 1
|
| 1254 |
+
ATOM 348 H H21 . G A 1 11 ? 14.307 18.244 15.191 1.00 0.00 ? 11 G A H21 1
|
| 1255 |
+
ATOM 349 H H22 . G A 1 11 ? 14.130 18.093 16.924 1.00 0.00 ? 11 G A H22 1
|
| 1256 |
+
ATOM 350 P P . C A 1 12 ? 17.965 12.889 21.069 1.00 0.00 ? 12 C A P 1
|
| 1257 |
+
ATOM 351 O OP1 . C A 1 12 ? 17.511 12.013 22.172 1.00 0.00 ? 12 C A OP1 1
|
| 1258 |
+
ATOM 352 O OP2 . C A 1 12 ? 19.116 12.477 20.234 1.00 0.00 ? 12 C A OP2 1
|
| 1259 |
+
ATOM 353 O "O5'" . C A 1 12 ? 16.715 13.166 20.089 1.00 0.00 ? 12 C A "O5'" 1
|
| 1260 |
+
ATOM 354 C "C5'" . C A 1 12 ? 15.396 13.368 20.566 1.00 0.00 ? 12 C A "C5'" 1
|
| 1261 |
+
ATOM 355 C "C4'" . C A 1 12 ? 14.455 13.646 19.389 1.00 0.00 ? 12 C A "C4'" 1
|
| 1262 |
+
ATOM 356 O "O4'" . C A 1 12 ? 14.821 14.801 18.650 1.00 0.00 ? 12 C A "O4'" 1
|
| 1263 |
+
ATOM 357 C "C3'" . C A 1 12 ? 14.449 12.513 18.364 1.00 0.00 ? 12 C A "C3'" 1
|
| 1264 |
+
ATOM 358 O "O3'" . C A 1 12 ? 13.758 11.366 18.836 1.00 0.00 ? 12 C A "O3'" 1
|
| 1265 |
+
ATOM 359 C "C2'" . C A 1 12 ? 13.781 13.229 17.194 1.00 0.00 ? 12 C A "C2'" 1
|
| 1266 |
+
ATOM 360 O "O2'" . C A 1 12 ? 12.379 13.312 17.383 1.00 0.00 ? 12 C A "O2'" 1
|
| 1267 |
+
ATOM 361 C "C1'" . C A 1 12 ? 14.446 14.615 17.288 1.00 0.00 ? 12 C A "C1'" 1
|
| 1268 |
+
ATOM 362 N N1 . C A 1 12 ? 15.615 14.685 16.350 1.00 0.00 ? 12 C A N1 1
|
| 1269 |
+
ATOM 363 C C2 . C A 1 12 ? 15.353 14.985 15.002 1.00 0.00 ? 12 C A C2 1
|
| 1270 |
+
ATOM 364 O O2 . C A 1 12 ? 14.213 15.237 14.621 1.00 0.00 ? 12 C A O2 1
|
| 1271 |
+
ATOM 365 N N3 . C A 1 12 ? 16.397 14.996 14.117 1.00 0.00 ? 12 C A N3 1
|
| 1272 |
+
ATOM 366 C C4 . C A 1 12 ? 17.656 14.717 14.502 1.00 0.00 ? 12 C A C4 1
|
| 1273 |
+
ATOM 367 N N4 . C A 1 12 ? 18.633 14.770 13.588 1.00 0.00 ? 12 C A N4 1
|
| 1274 |
+
ATOM 368 C C5 . C A 1 12 ? 17.952 14.397 15.877 1.00 0.00 ? 12 C A C5 1
|
| 1275 |
+
ATOM 369 C C6 . C A 1 12 ? 16.909 14.390 16.749 1.00 0.00 ? 12 C A C6 1
|
| 1276 |
+
ATOM 370 H "H5'" . C A 1 12 ? 15.354 14.200 21.269 1.00 0.00 ? 12 C A "H5'" 1
|
| 1277 |
+
ATOM 371 H "H5''" . C A 1 12 ? 15.055 12.466 21.076 1.00 0.00 ? 12 C A "H5''" 1
|
| 1278 |
+
ATOM 372 H "H4'" . C A 1 12 ? 13.444 13.799 19.774 1.00 0.00 ? 12 C A "H4'" 1
|
| 1279 |
+
ATOM 373 H "H3'" . C A 1 12 ? 15.478 12.266 18.095 1.00 0.00 ? 12 C A "H3'" 1
|
| 1280 |
+
ATOM 374 H "H2'" . C A 1 12 ? 13.976 12.735 16.247 1.00 0.00 ? 12 C A "H2'" 1
|
| 1281 |
+
ATOM 375 H "HO2'" . C A 1 12 ? 12.102 14.227 17.298 1.00 0.00 ? 12 C A "HO2'" 1
|
| 1282 |
+
ATOM 376 H "H1'" . C A 1 12 ? 13.730 15.403 17.043 1.00 0.00 ? 12 C A "H1'" 1
|
| 1283 |
+
ATOM 377 H H41 . C A 1 12 ? 18.408 15.009 12.633 1.00 0.00 ? 12 C A H41 1
|
| 1284 |
+
ATOM 378 H H42 . C A 1 12 ? 19.593 14.608 13.853 1.00 0.00 ? 12 C A H42 1
|
| 1285 |
+
ATOM 379 H H5 . C A 1 12 ? 18.949 14.176 16.232 1.00 0.00 ? 12 C A H5 1
|
| 1286 |
+
ATOM 380 H H6 . C A 1 12 ? 17.113 14.132 17.773 1.00 0.00 ? 12 C A H6 1
|
| 1287 |
+
ATOM 381 P P . A A 1 13 ? 13.969 9.906 18.174 1.00 0.00 ? 13 A A P 1
|
| 1288 |
+
ATOM 382 O OP1 . A A 1 13 ? 13.116 8.945 18.908 1.00 0.00 ? 13 A A OP1 1
|
| 1289 |
+
ATOM 383 O OP2 . A A 1 13 ? 15.424 9.654 18.064 1.00 0.00 ? 13 A A OP2 1
|
| 1290 |
+
ATOM 384 O "O5'" . A A 1 13 ? 13.376 10.080 16.680 1.00 0.00 ? 13 A A "O5'" 1
|
| 1291 |
+
ATOM 385 C "C5'" . A A 1 13 ? 11.985 10.033 16.422 1.00 0.00 ? 13 A A "C5'" 1
|
| 1292 |
+
ATOM 386 C "C4'" . A A 1 13 ? 11.686 10.324 14.948 1.00 0.00 ? 13 A A "C4'" 1
|
| 1293 |
+
ATOM 387 O "O4'" . A A 1 13 ? 12.144 11.602 14.537 1.00 0.00 ? 13 A A "O4'" 1
|
| 1294 |
+
ATOM 388 C "C3'" . A A 1 13 ? 12.316 9.339 13.961 1.00 0.00 ? 13 A A "C3'" 1
|
| 1295 |
+
ATOM 389 O "O3'" . A A 1 13 ? 11.684 8.076 13.953 1.00 0.00 ? 13 A A "O3'" 1
|
| 1296 |
+
ATOM 390 C "C2'" . A A 1 13 ? 12.122 10.124 12.665 1.00 0.00 ? 13 A A "C2'" 1
|
| 1297 |
+
ATOM 391 O "O2'" . A A 1 13 ? 10.775 10.065 12.230 1.00 0.00 ? 13 A A "O2'" 1
|
| 1298 |
+
ATOM 392 C "C1'" . A A 1 13 ? 12.470 11.542 13.153 1.00 0.00 ? 13 A A "C1'" 1
|
| 1299 |
+
ATOM 393 N N9 . A A 1 13 ? 13.917 11.788 12.929 1.00 0.00 ? 13 A A N9 1
|
| 1300 |
+
ATOM 394 C C8 . A A 1 13 ? 14.980 11.672 13.795 1.00 0.00 ? 13 A A C8 1
|
| 1301 |
+
ATOM 395 N N7 . A A 1 13 ? 16.144 11.898 13.254 1.00 0.00 ? 13 A A N7 1
|
| 1302 |
+
ATOM 396 C C5 . A A 1 13 ? 15.845 12.142 11.920 1.00 0.00 ? 13 A A C5 1
|
| 1303 |
+
ATOM 397 C C6 . A A 1 13 ? 16.642 12.408 10.776 1.00 0.00 ? 13 A A C6 1
|
| 1304 |
+
ATOM 398 N N6 . A A 1 13 ? 17.971 12.554 10.840 1.00 0.00 ? 13 A A N6 1
|
| 1305 |
+
ATOM 399 N N1 . A A 1 13 ? 16.033 12.520 9.567 1.00 0.00 ? 13 A A N1 1
|
| 1306 |
+
ATOM 400 C C2 . A A 1 13 ? 14.702 12.386 9.497 1.00 0.00 ? 13 A A C2 1
|
| 1307 |
+
ATOM 401 N N3 . A A 1 13 ? 13.847 12.154 10.500 1.00 0.00 ? 13 A A N3 1
|
| 1308 |
+
ATOM 402 C C4 . A A 1 13 ? 14.488 12.043 11.705 1.00 0.00 ? 13 A A C4 1
|
| 1309 |
+
ATOM 403 H "H5'" . A A 1 13 ? 11.456 10.762 17.038 1.00 0.00 ? 13 A A "H5'" 1
|
| 1310 |
+
ATOM 404 H "H5''" . A A 1 13 ? 11.610 9.036 16.657 1.00 0.00 ? 13 A A "H5''" 1
|
| 1311 |
+
ATOM 405 H "H4'" . A A 1 13 ? 10.601 10.306 14.820 1.00 0.00 ? 13 A A "H4'" 1
|
| 1312 |
+
ATOM 406 H "H3'" . A A 1 13 ? 13.382 9.214 14.162 1.00 0.00 ? 13 A A "H3'" 1
|
| 1313 |
+
ATOM 407 H "HO3'" . A A 1 13 ? 10.739 8.210 13.861 1.00 0.00 ? 13 A A "HO3'" 1
|
| 1314 |
+
ATOM 408 H "H2'" . A A 1 13 ? 12.774 9.766 11.866 1.00 0.00 ? 13 A A "H2'" 1
|
| 1315 |
+
ATOM 409 H "HO2'" . A A 1 13 ? 10.469 10.955 12.036 1.00 0.00 ? 13 A A "HO2'" 1
|
| 1316 |
+
ATOM 410 H "H1'" . A A 1 13 ? 11.900 12.302 12.614 1.00 0.00 ? 13 A A "H1'" 1
|
| 1317 |
+
ATOM 411 H H8 . A A 1 13 ? 14.880 11.396 14.831 1.00 0.00 ? 13 A A H8 1
|
| 1318 |
+
ATOM 412 H H61 . A A 1 13 ? 18.498 12.752 10.002 1.00 0.00 ? 13 A A H61 1
|
| 1319 |
+
ATOM 413 H H62 . A A 1 13 ? 18.441 12.479 11.731 1.00 0.00 ? 13 A A H62 1
|
| 1320 |
+
ATOM 414 H H2 . A A 1 13 ? 14.261 12.484 8.516 1.00 0.00 ? 13 A A H2 1
|
| 1321 |
+
#
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