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@@ -0,0 +1,1750 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1KFO
2
+ #
3
+ _entry.id 1KFO
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.386
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 1KFO pdb_00001kfo 10.2210/pdb1kfo/pdb
15
+ NDB AR0039 ? ?
16
+ RCSB RCSB014906 ? ?
17
+ WWPDB D_1000014906 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2001-12-07
26
+ 2 'Structure model' 1 1 2008-04-27
27
+ 3 'Structure model' 1 2 2011-07-13
28
+ 4 'Structure model' 1 3 2024-02-07
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
+ #
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 4 'Structure model' struct_conn
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
+ 3 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
67
+ #
68
+ _pdbx_database_status.status_code REL
69
+ _pdbx_database_status.entry_id 1KFO
70
+ _pdbx_database_status.recvd_initial_deposition_date 2001-11-21
71
+ _pdbx_database_status.deposit_site RCSB
72
+ _pdbx_database_status.process_site RCSB
73
+ _pdbx_database_status.SG_entry .
74
+ _pdbx_database_status.pdb_format_compatible Y
75
+ _pdbx_database_status.status_code_mr ?
76
+ _pdbx_database_status.status_code_sf ?
77
+ _pdbx_database_status.status_code_cs ?
78
+ _pdbx_database_status.status_code_nmr_data ?
79
+ _pdbx_database_status.methods_development_category ?
80
+ #
81
+ loop_
82
+ _audit_author.name
83
+ _audit_author.pdbx_ordinal
84
+ 'Lima, S.' 1
85
+ 'Hildenbrand, J.' 2
86
+ 'Korostelev, A.' 3
87
+ 'Hattman, S.' 4
88
+ 'Li, H.' 5
89
+ #
90
+ _citation.id primary
91
+ _citation.title
92
+ 'Crystal structure of an RNA helix recognized by a zinc-finger protein: an 18-bp duplex at 1.6 A resolution.'
93
+ _citation.journal_abbrev RNA
94
+ _citation.journal_volume 8
95
+ _citation.page_first 924
96
+ _citation.page_last 932
97
+ _citation.year 2002
98
+ _citation.journal_id_ASTM RNARFU
99
+ _citation.country UK
100
+ _citation.journal_id_ISSN 1355-8382
101
+ _citation.journal_id_CSD 2122
102
+ _citation.book_publisher ?
103
+ _citation.pdbx_database_id_PubMed 12166647
104
+ _citation.pdbx_database_id_DOI 10.1017/S1355838202028893
105
+ #
106
+ loop_
107
+ _citation_author.citation_id
108
+ _citation_author.name
109
+ _citation_author.ordinal
110
+ _citation_author.identifier_ORCID
111
+ primary 'Lima, S.' 1 ?
112
+ primary 'Hildenbrand, J.' 2 ?
113
+ primary 'Korostelev, A.' 3 ?
114
+ primary 'Hattman, S.' 4 ?
115
+ primary 'Li, H.' 5 ?
116
+ #
117
+ loop_
118
+ _entity.id
119
+ _entity.type
120
+ _entity.src_method
121
+ _entity.pdbx_description
122
+ _entity.formula_weight
123
+ _entity.pdbx_number_of_molecules
124
+ _entity.pdbx_ec
125
+ _entity.pdbx_mutation
126
+ _entity.pdbx_fragment
127
+ _entity.details
128
+ 1 polymer syn "5'-R(*GP*AP*AP*UP*GP*CP*CP*UP*GP*CP*GP*AP*GP*CP*AP*(5BU)P*CP*CP*C)-3'" 6131.561 1 ? ? ? ?
129
+ 2 water nat water 18.015 38 ? ? ? ?
130
+ #
131
+ _entity_poly.entity_id 1
132
+ _entity_poly.type polyribonucleotide
133
+ _entity_poly.nstd_linkage no
134
+ _entity_poly.nstd_monomer yes
135
+ _entity_poly.pdbx_seq_one_letter_code 'GAAUGCCUGCGAGCA(5BU)CCC'
136
+ _entity_poly.pdbx_seq_one_letter_code_can GAAUGCCUGCGAGCAUCCC
137
+ _entity_poly.pdbx_strand_id A
138
+ _entity_poly.pdbx_target_identifier ?
139
+ #
140
+ _pdbx_entity_nonpoly.entity_id 2
141
+ _pdbx_entity_nonpoly.name water
142
+ _pdbx_entity_nonpoly.comp_id HOH
143
+ #
144
+ loop_
145
+ _entity_poly_seq.entity_id
146
+ _entity_poly_seq.num
147
+ _entity_poly_seq.mon_id
148
+ _entity_poly_seq.hetero
149
+ 1 1 G n
150
+ 1 2 A n
151
+ 1 3 A n
152
+ 1 4 U n
153
+ 1 5 G n
154
+ 1 6 C n
155
+ 1 7 C n
156
+ 1 8 U n
157
+ 1 9 G n
158
+ 1 10 C n
159
+ 1 11 G n
160
+ 1 12 A n
161
+ 1 13 G n
162
+ 1 14 C n
163
+ 1 15 A n
164
+ 1 16 5BU n
165
+ 1 17 C n
166
+ 1 18 C n
167
+ 1 19 C n
168
+ #
169
+ loop_
170
+ _chem_comp.id
171
+ _chem_comp.type
172
+ _chem_comp.mon_nstd_flag
173
+ _chem_comp.name
174
+ _chem_comp.pdbx_synonyms
175
+ _chem_comp.formula
176
+ _chem_comp.formula_weight
177
+ 5BU 'RNA linking' n "5-BROMO-URIDINE-5'-MONOPHOSPHATE" ? 'C9 H12 Br N2 O9 P' 403.077
178
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
179
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
180
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
181
+ HOH non-polymer . WATER ? 'H2 O' 18.015
182
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
183
+ #
184
+ loop_
185
+ _pdbx_poly_seq_scheme.asym_id
186
+ _pdbx_poly_seq_scheme.entity_id
187
+ _pdbx_poly_seq_scheme.seq_id
188
+ _pdbx_poly_seq_scheme.mon_id
189
+ _pdbx_poly_seq_scheme.ndb_seq_num
190
+ _pdbx_poly_seq_scheme.pdb_seq_num
191
+ _pdbx_poly_seq_scheme.auth_seq_num
192
+ _pdbx_poly_seq_scheme.pdb_mon_id
193
+ _pdbx_poly_seq_scheme.auth_mon_id
194
+ _pdbx_poly_seq_scheme.pdb_strand_id
195
+ _pdbx_poly_seq_scheme.pdb_ins_code
196
+ _pdbx_poly_seq_scheme.hetero
197
+ A 1 1 G 1 1 1 G G A . n
198
+ A 1 2 A 2 2 2 A A A . n
199
+ A 1 3 A 3 3 3 A A A . n
200
+ A 1 4 U 4 4 4 U U A . n
201
+ A 1 5 G 5 5 5 G G A . n
202
+ A 1 6 C 6 6 6 C C A . n
203
+ A 1 7 C 7 7 7 C C A . n
204
+ A 1 8 U 8 8 8 U U A . n
205
+ A 1 9 G 9 9 9 G G A . n
206
+ A 1 10 C 10 10 10 C C A . n
207
+ A 1 11 G 11 11 11 G G A . n
208
+ A 1 12 A 12 12 12 A A A . n
209
+ A 1 13 G 13 13 13 G G A . n
210
+ A 1 14 C 14 14 14 C C A . n
211
+ A 1 15 A 15 15 15 A A A . n
212
+ A 1 16 5BU 16 16 16 5BU +U A . n
213
+ A 1 17 C 17 17 17 C C A . n
214
+ A 1 18 C 18 18 18 C C A . n
215
+ A 1 19 C 19 19 19 C C A . n
216
+ #
217
+ loop_
218
+ _pdbx_nonpoly_scheme.asym_id
219
+ _pdbx_nonpoly_scheme.entity_id
220
+ _pdbx_nonpoly_scheme.mon_id
221
+ _pdbx_nonpoly_scheme.ndb_seq_num
222
+ _pdbx_nonpoly_scheme.pdb_seq_num
223
+ _pdbx_nonpoly_scheme.auth_seq_num
224
+ _pdbx_nonpoly_scheme.pdb_mon_id
225
+ _pdbx_nonpoly_scheme.auth_mon_id
226
+ _pdbx_nonpoly_scheme.pdb_strand_id
227
+ _pdbx_nonpoly_scheme.pdb_ins_code
228
+ B 2 HOH 1 20 1 HOH TIP A .
229
+ B 2 HOH 2 21 2 HOH TIP A .
230
+ B 2 HOH 3 22 3 HOH TIP A .
231
+ B 2 HOH 4 23 4 HOH TIP A .
232
+ B 2 HOH 5 24 5 HOH TIP A .
233
+ B 2 HOH 6 25 6 HOH TIP A .
234
+ B 2 HOH 7 26 7 HOH TIP A .
235
+ B 2 HOH 8 27 8 HOH TIP A .
236
+ B 2 HOH 9 28 9 HOH TIP A .
237
+ B 2 HOH 10 29 10 HOH TIP A .
238
+ B 2 HOH 11 30 11 HOH TIP A .
239
+ B 2 HOH 12 31 12 HOH TIP A .
240
+ B 2 HOH 13 32 13 HOH TIP A .
241
+ B 2 HOH 14 33 14 HOH TIP A .
242
+ B 2 HOH 15 34 15 HOH TIP A .
243
+ B 2 HOH 16 35 16 HOH TIP A .
244
+ B 2 HOH 17 36 17 HOH TIP A .
245
+ B 2 HOH 18 37 18 HOH TIP A .
246
+ B 2 HOH 19 38 19 HOH TIP A .
247
+ B 2 HOH 20 39 20 HOH TIP A .
248
+ B 2 HOH 21 40 21 HOH TIP A .
249
+ B 2 HOH 22 41 22 HOH TIP A .
250
+ B 2 HOH 23 42 23 HOH TIP A .
251
+ B 2 HOH 24 43 24 HOH TIP A .
252
+ B 2 HOH 25 44 25 HOH TIP A .
253
+ B 2 HOH 26 45 26 HOH TIP A .
254
+ B 2 HOH 27 46 27 HOH TIP A .
255
+ B 2 HOH 28 47 28 HOH TIP A .
256
+ B 2 HOH 29 48 29 HOH TIP A .
257
+ B 2 HOH 30 49 30 HOH TIP A .
258
+ B 2 HOH 31 50 31 HOH TIP A .
259
+ B 2 HOH 32 51 32 HOH TIP A .
260
+ B 2 HOH 33 52 33 HOH TIP A .
261
+ B 2 HOH 34 53 34 HOH TIP A .
262
+ B 2 HOH 35 54 35 HOH TIP A .
263
+ B 2 HOH 36 55 36 HOH TIP A .
264
+ B 2 HOH 37 56 37 HOH TIP A .
265
+ B 2 HOH 38 57 38 HOH TIP A .
266
+ #
267
+ _software.name CNS
268
+ _software.classification refinement
269
+ _software.version 1.0
270
+ _software.citation_id ?
271
+ _software.pdbx_ordinal 1
272
+ #
273
+ _cell.entry_id 1KFO
274
+ _cell.length_a 45.336
275
+ _cell.length_b 45.336
276
+ _cell.length_c 95.129
277
+ _cell.angle_alpha 90.00
278
+ _cell.angle_beta 90.00
279
+ _cell.angle_gamma 120.00
280
+ _cell.Z_PDB 12
281
+ _cell.pdbx_unique_axis ?
282
+ #
283
+ _symmetry.entry_id 1KFO
284
+ _symmetry.space_group_name_H-M 'P 63 2 2'
285
+ _symmetry.pdbx_full_space_group_name_H-M ?
286
+ _symmetry.cell_setting ?
287
+ _symmetry.Int_Tables_number 182
288
+ #
289
+ _exptl.entry_id 1KFO
290
+ _exptl.method 'X-RAY DIFFRACTION'
291
+ _exptl.crystals_number ?
292
+ #
293
+ _exptl_crystal.id 1
294
+ _exptl_crystal.density_meas ?
295
+ _exptl_crystal.density_Matthews 2.30
296
+ _exptl_crystal.density_percent_sol 46.55
297
+ _exptl_crystal.description ?
298
+ #
299
+ _diffrn.id 1
300
+ _diffrn.ambient_temp ?
301
+ _diffrn.ambient_temp_details ?
302
+ _diffrn.crystal_id 1
303
+ #
304
+ _diffrn_radiation.diffrn_id 1
305
+ _diffrn_radiation.wavelength_id 1
306
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
307
+ _diffrn_radiation.monochromator ?
308
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
309
+ _diffrn_radiation.pdbx_scattering_type x-ray
310
+ #
311
+ _diffrn_radiation_wavelength.id 1
312
+ _diffrn_radiation_wavelength.wavelength .
313
+ _diffrn_radiation_wavelength.wt 1.0
314
+ #
315
+ _reflns.entry_id 1KFO
316
+ _reflns.observed_criterion_sigma_I ?
317
+ _reflns.observed_criterion_sigma_F ?
318
+ _reflns.d_resolution_low ?
319
+ _reflns.d_resolution_high ?
320
+ _reflns.number_obs ?
321
+ _reflns.number_all ?
322
+ _reflns.percent_possible_obs ?
323
+ _reflns.pdbx_Rmerge_I_obs ?
324
+ _reflns.pdbx_Rsym_value ?
325
+ _reflns.pdbx_netI_over_sigmaI ?
326
+ _reflns.B_iso_Wilson_estimate 16.5
327
+ _reflns.pdbx_redundancy ?
328
+ _reflns.R_free_details ?
329
+ _reflns.pdbx_diffrn_id 1
330
+ _reflns.pdbx_ordinal 1
331
+ #
332
+ _refine.entry_id 1KFO
333
+ _refine.ls_number_reflns_obs 13798
334
+ _refine.ls_number_reflns_all ?
335
+ _refine.pdbx_ls_sigma_I ?
336
+ _refine.pdbx_ls_sigma_F 0.0
337
+ _refine.pdbx_data_cutoff_high_absF 635784.22
338
+ _refine.pdbx_data_cutoff_low_absF 0.000000
339
+ _refine.ls_d_res_low 16.69
340
+ _refine.ls_d_res_high 1.60
341
+ _refine.ls_percent_reflns_obs 95.4
342
+ _refine.ls_R_factor_obs 0.26
343
+ _refine.ls_R_factor_all ?
344
+ _refine.ls_R_factor_R_work 0.26
345
+ _refine.ls_R_factor_R_free 0.288
346
+ _refine.ls_R_factor_R_free_error 0.008
347
+ _refine.ls_R_factor_R_free_error_details ?
348
+ _refine.ls_percent_reflns_R_free 9.8
349
+ _refine.ls_number_reflns_R_free 1346
350
+ _refine.ls_number_parameters ?
351
+ _refine.ls_number_restraints ?
352
+ _refine.occupancy_min ?
353
+ _refine.occupancy_max ?
354
+ _refine.B_iso_mean 28.8
355
+ _refine.aniso_B[1][1] 2.94
356
+ _refine.aniso_B[2][2] 2.94
357
+ _refine.aniso_B[3][3] -5.88
358
+ _refine.aniso_B[1][2] 1.92
359
+ _refine.aniso_B[1][3] 0.00
360
+ _refine.aniso_B[2][3] 0.00
361
+ _refine.solvent_model_details 'FLAT MODEL'
362
+ _refine.solvent_model_param_ksol 0.456314
363
+ _refine.solvent_model_param_bsol 42.3081
364
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
365
+ _refine.details ?
366
+ _refine.pdbx_starting_model ?
367
+ _refine.pdbx_method_to_determine_struct ?
368
+ _refine.pdbx_isotropic_thermal_model RESTRAINED
369
+ _refine.pdbx_stereochemistry_target_values ?
370
+ _refine.pdbx_stereochem_target_val_spec_case ?
371
+ _refine.pdbx_R_Free_selection_details RANDOM
372
+ _refine.pdbx_overall_ESU_R_Free ?
373
+ _refine.overall_SU_B ?
374
+ _refine.ls_redundancy_reflns_obs ?
375
+ _refine.correlation_coeff_Fo_to_Fc ?
376
+ _refine.overall_SU_R_Cruickshank_DPI ?
377
+ _refine.overall_SU_R_free ?
378
+ _refine.overall_SU_ML ?
379
+ _refine.pdbx_overall_ESU_R ?
380
+ _refine.pdbx_data_cutoff_high_rms_absF ?
381
+ _refine.correlation_coeff_Fo_to_Fc_free ?
382
+ _refine.pdbx_solvent_vdw_probe_radii ?
383
+ _refine.pdbx_solvent_ion_probe_radii ?
384
+ _refine.pdbx_solvent_shrinkage_radii ?
385
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
386
+ _refine.pdbx_diffrn_id 1
387
+ _refine.pdbx_TLS_residual_ADP_flag ?
388
+ _refine.pdbx_overall_phase_error ?
389
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
390
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
391
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
392
+ #
393
+ _refine_analyze.entry_id 1KFO
394
+ _refine_analyze.Luzzati_coordinate_error_obs 0.25
395
+ _refine_analyze.Luzzati_sigma_a_obs 0.07
396
+ _refine_analyze.Luzzati_d_res_low_obs 5.00
397
+ _refine_analyze.Luzzati_coordinate_error_free 0.29
398
+ _refine_analyze.Luzzati_sigma_a_free 0.10
399
+ _refine_analyze.Luzzati_d_res_low_free ?
400
+ _refine_analyze.number_disordered_residues ?
401
+ _refine_analyze.occupancy_sum_hydrogen ?
402
+ _refine_analyze.occupancy_sum_non_hydrogen ?
403
+ _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
404
+ #
405
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
406
+ _refine_hist.cycle_id LAST
407
+ _refine_hist.pdbx_number_atoms_protein 0
408
+ _refine_hist.pdbx_number_atoms_nucleic_acid 400
409
+ _refine_hist.pdbx_number_atoms_ligand 1
410
+ _refine_hist.number_atoms_solvent 38
411
+ _refine_hist.number_atoms_total 439
412
+ _refine_hist.d_res_high 1.60
413
+ _refine_hist.d_res_low 16.69
414
+ #
415
+ loop_
416
+ _refine_ls_restr.type
417
+ _refine_ls_restr.dev_ideal
418
+ _refine_ls_restr.dev_ideal_target
419
+ _refine_ls_restr.weight
420
+ _refine_ls_restr.number
421
+ _refine_ls_restr.pdbx_refine_id
422
+ _refine_ls_restr.pdbx_restraint_function
423
+ c_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ?
424
+ c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
425
+ c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
426
+ c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
427
+ c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
428
+ c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
429
+ c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
430
+ c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
431
+ c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
432
+ c_dihedral_angle_d 6.0 ? ? ? 'X-RAY DIFFRACTION' ?
433
+ c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
434
+ c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
435
+ c_improper_angle_d 1.25 ? ? ? 'X-RAY DIFFRACTION' ?
436
+ c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
437
+ c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
438
+ c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
439
+ c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
440
+ c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
441
+ c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
442
+ #
443
+ _refine_ls_shell.pdbx_total_number_of_bins_used 6
444
+ _refine_ls_shell.d_res_high 1.60
445
+ _refine_ls_shell.d_res_low 1.70
446
+ _refine_ls_shell.number_reflns_R_work 1968
447
+ _refine_ls_shell.R_factor_R_work 0.286
448
+ _refine_ls_shell.percent_reflns_obs 90.8
449
+ _refine_ls_shell.R_factor_R_free 0.317
450
+ _refine_ls_shell.R_factor_R_free_error 0.022
451
+ _refine_ls_shell.percent_reflns_R_free 9.8
452
+ _refine_ls_shell.number_reflns_R_free 215
453
+ _refine_ls_shell.redundancy_reflns_obs ?
454
+ _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
455
+ _refine_ls_shell.number_reflns_all ?
456
+ _refine_ls_shell.R_factor_all ?
457
+ #
458
+ loop_
459
+ _pdbx_xplor_file.serial_no
460
+ _pdbx_xplor_file.param_file
461
+ _pdbx_xplor_file.topol_file
462
+ _pdbx_xplor_file.pdbx_refine_id
463
+ 1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION'
464
+ 2 DNA-RNA_REP.PARAM ? 'X-RAY DIFFRACTION'
465
+ 3 WATER_REP.PARAM ? 'X-RAY DIFFRACTION'
466
+ #
467
+ _database_PDB_matrix.entry_id 1KFO
468
+ _database_PDB_matrix.origx[1][1] 1.000000
469
+ _database_PDB_matrix.origx[1][2] 0.000000
470
+ _database_PDB_matrix.origx[1][3] 0.000000
471
+ _database_PDB_matrix.origx[2][1] 0.000000
472
+ _database_PDB_matrix.origx[2][2] 1.000000
473
+ _database_PDB_matrix.origx[2][3] 0.000000
474
+ _database_PDB_matrix.origx[3][1] 0.000000
475
+ _database_PDB_matrix.origx[3][2] 0.000000
476
+ _database_PDB_matrix.origx[3][3] 1.000000
477
+ _database_PDB_matrix.origx_vector[1] 0.00000
478
+ _database_PDB_matrix.origx_vector[2] 0.00000
479
+ _database_PDB_matrix.origx_vector[3] 0.00000
480
+ #
481
+ _struct.entry_id 1KFO
482
+ _struct.title
483
+ 'CRYSTAL STRUCTURE OF AN RNA HELIX RECOGNIZED BY A ZINC-FINGER PROTEIN: AN 18 BASE PAIR DUPLEX AT 1.6 RESOLUTION'
484
+ _struct.pdbx_model_details ?
485
+ _struct.pdbx_CASP_flag ?
486
+ _struct.pdbx_model_type_details ?
487
+ #
488
+ _struct_keywords.entry_id 1KFO
489
+ _struct_keywords.pdbx_keywords RNA
490
+ _struct_keywords.text RNA
491
+ #
492
+ loop_
493
+ _struct_asym.id
494
+ _struct_asym.pdbx_blank_PDB_chainid_flag
495
+ _struct_asym.pdbx_modified
496
+ _struct_asym.entity_id
497
+ _struct_asym.details
498
+ A N N 1 ?
499
+ B N N 2 ?
500
+ #
501
+ _struct_ref.id 1
502
+ _struct_ref.entity_id 1
503
+ _struct_ref.db_name PDB
504
+ _struct_ref.db_code 1KFO
505
+ _struct_ref.pdbx_db_accession 1KFO
506
+ _struct_ref.pdbx_db_isoform ?
507
+ _struct_ref.pdbx_seq_one_letter_code ?
508
+ _struct_ref.pdbx_align_begin ?
509
+ #
510
+ _struct_ref_seq.align_id 1
511
+ _struct_ref_seq.ref_id 1
512
+ _struct_ref_seq.pdbx_PDB_id_code 1KFO
513
+ _struct_ref_seq.pdbx_strand_id A
514
+ _struct_ref_seq.seq_align_beg 1
515
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
516
+ _struct_ref_seq.seq_align_end 19
517
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
518
+ _struct_ref_seq.pdbx_db_accession 1KFO
519
+ _struct_ref_seq.db_align_beg 1
520
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
521
+ _struct_ref_seq.db_align_end 19
522
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
523
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
524
+ _struct_ref_seq.pdbx_auth_seq_align_end 19
525
+ #
526
+ _pdbx_struct_assembly.id 1
527
+ _pdbx_struct_assembly.details author_defined_assembly
528
+ _pdbx_struct_assembly.method_details ?
529
+ _pdbx_struct_assembly.oligomeric_details dimeric
530
+ _pdbx_struct_assembly.oligomeric_count 2
531
+ #
532
+ _pdbx_struct_assembly_gen.assembly_id 1
533
+ _pdbx_struct_assembly_gen.oper_expression 1,2
534
+ _pdbx_struct_assembly_gen.asym_id_list A,B
535
+ #
536
+ loop_
537
+ _pdbx_struct_oper_list.id
538
+ _pdbx_struct_oper_list.type
539
+ _pdbx_struct_oper_list.name
540
+ _pdbx_struct_oper_list.symmetry_operation
541
+ _pdbx_struct_oper_list.matrix[1][1]
542
+ _pdbx_struct_oper_list.matrix[1][2]
543
+ _pdbx_struct_oper_list.matrix[1][3]
544
+ _pdbx_struct_oper_list.vector[1]
545
+ _pdbx_struct_oper_list.matrix[2][1]
546
+ _pdbx_struct_oper_list.matrix[2][2]
547
+ _pdbx_struct_oper_list.matrix[2][3]
548
+ _pdbx_struct_oper_list.vector[2]
549
+ _pdbx_struct_oper_list.matrix[3][1]
550
+ _pdbx_struct_oper_list.matrix[3][2]
551
+ _pdbx_struct_oper_list.matrix[3][3]
552
+ _pdbx_struct_oper_list.vector[3]
553
+ 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
554
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
555
+ 2 'crystal symmetry operation' 8_555 x-y,-y,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000
556
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000
557
+ #
558
+ _struct_biol.id 1
559
+ _struct_biol.pdbx_parent_biol_id ?
560
+ _struct_biol.details ?
561
+ #
562
+ loop_
563
+ _struct_conn.id
564
+ _struct_conn.conn_type_id
565
+ _struct_conn.pdbx_leaving_atom_flag
566
+ _struct_conn.pdbx_PDB_id
567
+ _struct_conn.ptnr1_label_asym_id
568
+ _struct_conn.ptnr1_label_comp_id
569
+ _struct_conn.ptnr1_label_seq_id
570
+ _struct_conn.ptnr1_label_atom_id
571
+ _struct_conn.pdbx_ptnr1_label_alt_id
572
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
573
+ _struct_conn.pdbx_ptnr1_standard_comp_id
574
+ _struct_conn.ptnr1_symmetry
575
+ _struct_conn.ptnr2_label_asym_id
576
+ _struct_conn.ptnr2_label_comp_id
577
+ _struct_conn.ptnr2_label_seq_id
578
+ _struct_conn.ptnr2_label_atom_id
579
+ _struct_conn.pdbx_ptnr2_label_alt_id
580
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
581
+ _struct_conn.ptnr1_auth_asym_id
582
+ _struct_conn.ptnr1_auth_comp_id
583
+ _struct_conn.ptnr1_auth_seq_id
584
+ _struct_conn.ptnr2_auth_asym_id
585
+ _struct_conn.ptnr2_auth_comp_id
586
+ _struct_conn.ptnr2_auth_seq_id
587
+ _struct_conn.ptnr2_symmetry
588
+ _struct_conn.pdbx_ptnr3_label_atom_id
589
+ _struct_conn.pdbx_ptnr3_label_seq_id
590
+ _struct_conn.pdbx_ptnr3_label_comp_id
591
+ _struct_conn.pdbx_ptnr3_label_asym_id
592
+ _struct_conn.pdbx_ptnr3_label_alt_id
593
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
594
+ _struct_conn.details
595
+ _struct_conn.pdbx_dist_value
596
+ _struct_conn.pdbx_value_order
597
+ _struct_conn.pdbx_role
598
+ covale1 covale both ? A A 15 "O3'" ? ? ? 1_555 A 5BU 16 P ? ? A A 15 A 5BU 16 1_555 ? ? ? ? ? ? ? 1.615 ? ?
599
+ covale2 covale both ? A 5BU 16 "O3'" ? ? ? 1_555 A C 17 P ? ? A 5BU 16 A C 17 1_555 ? ? ? ? ? ? ? 1.611 ? ?
600
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 18 N3 ? ? A G 1 A C 18 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
601
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 18 O2 ? ? A G 1 A C 18 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
602
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 18 N4 ? ? A G 1 A C 18 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
603
+ hydrog4 hydrog ? ? A A 2 N6 ? ? ? 1_555 A C 17 N3 ? ? A A 2 A C 17 7_555 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ?
604
+ hydrog5 hydrog ? ? A A 3 N1 ? ? ? 1_555 A 5BU 16 N3 ? ? A A 3 A 5BU 16 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
605
+ hydrog6 hydrog ? ? A A 3 N6 ? ? ? 1_555 A 5BU 16 O4 ? ? A A 3 A 5BU 16 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
606
+ hydrog7 hydrog ? ? A U 4 N3 ? ? ? 1_555 A A 15 N1 ? ? A U 4 A A 15 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
607
+ hydrog8 hydrog ? ? A U 4 O4 ? ? ? 1_555 A A 15 N6 ? ? A U 4 A A 15 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
608
+ hydrog9 hydrog ? ? A G 5 N1 ? ? ? 1_555 A C 14 N3 ? ? A G 5 A C 14 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
609
+ hydrog10 hydrog ? ? A G 5 N2 ? ? ? 1_555 A C 14 O2 ? ? A G 5 A C 14 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
610
+ hydrog11 hydrog ? ? A G 5 O6 ? ? ? 1_555 A C 14 N4 ? ? A G 5 A C 14 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
611
+ hydrog12 hydrog ? ? A C 6 N3 ? ? ? 1_555 A G 13 N1 ? ? A C 6 A G 13 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
612
+ hydrog13 hydrog ? ? A C 6 N4 ? ? ? 1_555 A G 13 O6 ? ? A C 6 A G 13 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
613
+ hydrog14 hydrog ? ? A C 6 O2 ? ? ? 1_555 A G 13 N2 ? ? A C 6 A G 13 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
614
+ hydrog15 hydrog ? ? A C 7 N3 ? ? ? 1_555 A A 12 N6 ? ? A C 7 A A 12 7_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ?
615
+ hydrog16 hydrog ? ? A U 8 N3 ? ? ? 1_555 A G 11 O6 ? ? A U 8 A G 11 7_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
616
+ hydrog17 hydrog ? ? A U 8 O2 ? ? ? 1_555 A G 11 N1 ? ? A U 8 A G 11 7_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
617
+ hydrog18 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 9 A C 10 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
618
+ hydrog19 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 9 A C 10 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
619
+ hydrog20 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 9 A C 10 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
620
+ hydrog21 hydrog ? ? A C 10 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 10 A G 9 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
621
+ hydrog22 hydrog ? ? A C 10 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 10 A G 9 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
622
+ hydrog23 hydrog ? ? A C 10 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 10 A G 9 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
623
+ hydrog24 hydrog ? ? A G 11 N1 ? ? ? 1_555 A U 8 O2 ? ? A G 11 A U 8 7_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
624
+ hydrog25 hydrog ? ? A G 11 O6 ? ? ? 1_555 A U 8 N3 ? ? A G 11 A U 8 7_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
625
+ hydrog26 hydrog ? ? A A 12 N6 ? ? ? 1_555 A C 7 N3 ? ? A A 12 A C 7 7_555 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ?
626
+ hydrog27 hydrog ? ? A G 13 N1 ? ? ? 1_555 A C 6 N3 ? ? A G 13 A C 6 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
627
+ hydrog28 hydrog ? ? A G 13 N2 ? ? ? 1_555 A C 6 O2 ? ? A G 13 A C 6 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
628
+ hydrog29 hydrog ? ? A G 13 O6 ? ? ? 1_555 A C 6 N4 ? ? A G 13 A C 6 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
629
+ hydrog30 hydrog ? ? A C 14 N3 ? ? ? 1_555 A G 5 N1 ? ? A C 14 A G 5 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
630
+ hydrog31 hydrog ? ? A C 14 N4 ? ? ? 1_555 A G 5 O6 ? ? A C 14 A G 5 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
631
+ hydrog32 hydrog ? ? A C 14 O2 ? ? ? 1_555 A G 5 N2 ? ? A C 14 A G 5 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
632
+ hydrog33 hydrog ? ? A A 15 N1 ? ? ? 1_555 A U 4 N3 ? ? A A 15 A U 4 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
633
+ hydrog34 hydrog ? ? A A 15 N6 ? ? ? 1_555 A U 4 O4 ? ? A A 15 A U 4 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
634
+ hydrog35 hydrog ? ? A 5BU 16 N3 ? ? ? 1_555 A A 3 N1 ? ? A 5BU 16 A A 3 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
635
+ hydrog36 hydrog ? ? A 5BU 16 O4 ? ? ? 1_555 A A 3 N6 ? ? A 5BU 16 A A 3 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
636
+ hydrog37 hydrog ? ? A C 17 N3 ? ? ? 1_555 A A 2 N6 ? ? A C 17 A A 2 7_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ?
637
+ hydrog38 hydrog ? ? A C 18 N3 ? ? ? 1_555 A G 1 N1 ? ? A C 18 A G 1 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
638
+ hydrog39 hydrog ? ? A C 18 N4 ? ? ? 1_555 A G 1 O6 ? ? A C 18 A G 1 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
639
+ hydrog40 hydrog ? ? A C 18 O2 ? ? ? 1_555 A G 1 N2 ? ? A C 18 A G 1 7_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
640
+ #
641
+ loop_
642
+ _struct_conn_type.id
643
+ _struct_conn_type.criteria
644
+ _struct_conn_type.reference
645
+ covale ? ?
646
+ hydrog ? ?
647
+ #
648
+ loop_
649
+ _pdbx_validate_symm_contact.id
650
+ _pdbx_validate_symm_contact.PDB_model_num
651
+ _pdbx_validate_symm_contact.auth_atom_id_1
652
+ _pdbx_validate_symm_contact.auth_asym_id_1
653
+ _pdbx_validate_symm_contact.auth_comp_id_1
654
+ _pdbx_validate_symm_contact.auth_seq_id_1
655
+ _pdbx_validate_symm_contact.PDB_ins_code_1
656
+ _pdbx_validate_symm_contact.label_alt_id_1
657
+ _pdbx_validate_symm_contact.site_symmetry_1
658
+ _pdbx_validate_symm_contact.auth_atom_id_2
659
+ _pdbx_validate_symm_contact.auth_asym_id_2
660
+ _pdbx_validate_symm_contact.auth_comp_id_2
661
+ _pdbx_validate_symm_contact.auth_seq_id_2
662
+ _pdbx_validate_symm_contact.PDB_ins_code_2
663
+ _pdbx_validate_symm_contact.label_alt_id_2
664
+ _pdbx_validate_symm_contact.site_symmetry_2
665
+ _pdbx_validate_symm_contact.dist
666
+ 1 1 "O2'" A A 3 ? ? 1_555 "C4'" A C 19 ? ? 5_555 0.89
667
+ 2 1 "O2'" A A 3 ? ? 1_555 "C3'" A C 19 ? ? 5_555 1.05
668
+ 3 1 "C4'" A A 3 ? ? 1_555 "O2'" A C 19 ? ? 5_555 1.20
669
+ 4 1 "C3'" A A 3 ? ? 1_555 "O2'" A C 19 ? ? 5_555 1.36
670
+ 5 1 "O3'" A A 3 ? ? 1_555 "O2'" A C 19 ? ? 5_555 1.44
671
+ 6 1 "C2'" A A 3 ? ? 1_555 "O3'" A C 19 ? ? 5_555 1.55
672
+ 7 1 "O3'" A A 3 ? ? 1_555 "C2'" A C 19 ? ? 5_555 1.62
673
+ 8 1 "O2'" A A 3 ? ? 1_555 "O3'" A C 19 ? ? 5_555 1.64
674
+ 9 1 "O2'" A A 3 ? ? 1_555 "C5'" A C 19 ? ? 5_555 1.74
675
+ 10 1 "C2'" A A 3 ? ? 1_555 "C3'" A C 19 ? ? 5_555 1.90
676
+ 11 1 "C2'" A A 3 ? ? 1_555 "C4'" A C 19 ? ? 5_555 1.91
677
+ 12 1 "C5'" A A 3 ? ? 1_555 "O2'" A C 19 ? ? 5_555 1.92
678
+ 13 1 "O3'" A A 3 ? ? 1_555 "O3'" A C 19 ? ? 5_555 1.99
679
+ 14 1 "C3'" A A 3 ? ? 1_555 "O3'" A C 19 ? ? 5_555 2.04
680
+ 15 1 "O3'" A A 3 ? ? 1_555 "C3'" A C 19 ? ? 5_555 2.11
681
+ 16 1 "C3'" A A 3 ? ? 1_555 "C2'" A C 19 ? ? 5_555 2.13
682
+ 17 1 "C5'" A U 4 ? ? 1_555 "O3'" A C 19 ? ? 5_555 2.19
683
+ #
684
+ _pdbx_validate_rmsd_bond.id 1
685
+ _pdbx_validate_rmsd_bond.PDB_model_num 1
686
+ _pdbx_validate_rmsd_bond.auth_atom_id_1 P
687
+ _pdbx_validate_rmsd_bond.auth_asym_id_1 A
688
+ _pdbx_validate_rmsd_bond.auth_comp_id_1 C
689
+ _pdbx_validate_rmsd_bond.auth_seq_id_1 19
690
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
691
+ _pdbx_validate_rmsd_bond.label_alt_id_1 ?
692
+ _pdbx_validate_rmsd_bond.auth_atom_id_2 "O5'"
693
+ _pdbx_validate_rmsd_bond.auth_asym_id_2 A
694
+ _pdbx_validate_rmsd_bond.auth_comp_id_2 C
695
+ _pdbx_validate_rmsd_bond.auth_seq_id_2 19
696
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
697
+ _pdbx_validate_rmsd_bond.label_alt_id_2 ?
698
+ _pdbx_validate_rmsd_bond.bond_value 1.468
699
+ _pdbx_validate_rmsd_bond.bond_target_value 1.593
700
+ _pdbx_validate_rmsd_bond.bond_deviation -0.125
701
+ _pdbx_validate_rmsd_bond.bond_standard_deviation 0.010
702
+ _pdbx_validate_rmsd_bond.linker_flag N
703
+ #
704
+ loop_
705
+ _pdbx_validate_rmsd_angle.id
706
+ _pdbx_validate_rmsd_angle.PDB_model_num
707
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
708
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
709
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
710
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
711
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
712
+ _pdbx_validate_rmsd_angle.label_alt_id_1
713
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
714
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
715
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
716
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
717
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
718
+ _pdbx_validate_rmsd_angle.label_alt_id_2
719
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
720
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
721
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
722
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
723
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
724
+ _pdbx_validate_rmsd_angle.label_alt_id_3
725
+ _pdbx_validate_rmsd_angle.angle_value
726
+ _pdbx_validate_rmsd_angle.angle_target_value
727
+ _pdbx_validate_rmsd_angle.angle_deviation
728
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
729
+ _pdbx_validate_rmsd_angle.linker_flag
730
+ 1 1 "O4'" A G 11 ? ? "C1'" A G 11 ? ? N9 A G 11 ? ? 112.84 108.50 4.34 0.70 N
731
+ 2 1 "O5'" A C 19 ? ? P A C 19 ? ? OP2 A C 19 ? ? 88.43 105.70 -17.27 0.90 N
732
+ #
733
+ _pdbx_struct_mod_residue.id 1
734
+ _pdbx_struct_mod_residue.label_asym_id A
735
+ _pdbx_struct_mod_residue.label_comp_id 5BU
736
+ _pdbx_struct_mod_residue.label_seq_id 16
737
+ _pdbx_struct_mod_residue.auth_asym_id A
738
+ _pdbx_struct_mod_residue.auth_comp_id 5BU
739
+ _pdbx_struct_mod_residue.auth_seq_id 16
740
+ _pdbx_struct_mod_residue.PDB_ins_code ?
741
+ _pdbx_struct_mod_residue.parent_comp_id U
742
+ _pdbx_struct_mod_residue.details "5-BROMO-URIDINE-5'-MONOPHOSPHATE"
743
+ #
744
+ _pdbx_database_remark.id 99
745
+ _pdbx_database_remark.text
746
+ ;Short contacts exhibited by residue 19 are due to the
747
+ fact that residue 19 was not included in refinement and
748
+ was left unrefined.
749
+ ;
750
+ #
751
+ loop_
752
+ _chem_comp_atom.comp_id
753
+ _chem_comp_atom.atom_id
754
+ _chem_comp_atom.type_symbol
755
+ _chem_comp_atom.pdbx_aromatic_flag
756
+ _chem_comp_atom.pdbx_stereo_config
757
+ _chem_comp_atom.pdbx_ordinal
758
+ 5BU P P N N 1
759
+ 5BU OP1 O N N 2
760
+ 5BU OP2 O N N 3
761
+ 5BU OP3 O N N 4
762
+ 5BU "O5'" O N N 5
763
+ 5BU "C5'" C N N 6
764
+ 5BU "C4'" C N R 7
765
+ 5BU "O4'" O N N 8
766
+ 5BU "C3'" C N S 9
767
+ 5BU "O3'" O N N 10
768
+ 5BU "C2'" C N R 11
769
+ 5BU "O2'" O N N 12
770
+ 5BU "C1'" C N R 13
771
+ 5BU N1 N N N 14
772
+ 5BU C2 C N N 15
773
+ 5BU O2 O N N 16
774
+ 5BU N3 N N N 17
775
+ 5BU C4 C N N 18
776
+ 5BU O4 O N N 19
777
+ 5BU C5 C N N 20
778
+ 5BU C6 C N N 21
779
+ 5BU BR BR N N 22
780
+ 5BU HOP2 H N N 23
781
+ 5BU HOP3 H N N 24
782
+ 5BU "H5'" H N N 25
783
+ 5BU "H5''" H N N 26
784
+ 5BU "H4'" H N N 27
785
+ 5BU "H3'" H N N 28
786
+ 5BU "HO3'" H N N 29
787
+ 5BU "H2'" H N N 30
788
+ 5BU "HO2'" H N N 31
789
+ 5BU "H1'" H N N 32
790
+ 5BU H3 H N N 33
791
+ 5BU H6 H N N 34
792
+ A OP3 O N N 35
793
+ A P P N N 36
794
+ A OP1 O N N 37
795
+ A OP2 O N N 38
796
+ A "O5'" O N N 39
797
+ A "C5'" C N N 40
798
+ A "C4'" C N R 41
799
+ A "O4'" O N N 42
800
+ A "C3'" C N S 43
801
+ A "O3'" O N N 44
802
+ A "C2'" C N R 45
803
+ A "O2'" O N N 46
804
+ A "C1'" C N R 47
805
+ A N9 N Y N 48
806
+ A C8 C Y N 49
807
+ A N7 N Y N 50
808
+ A C5 C Y N 51
809
+ A C6 C Y N 52
810
+ A N6 N N N 53
811
+ A N1 N Y N 54
812
+ A C2 C Y N 55
813
+ A N3 N Y N 56
814
+ A C4 C Y N 57
815
+ A HOP3 H N N 58
816
+ A HOP2 H N N 59
817
+ A "H5'" H N N 60
818
+ A "H5''" H N N 61
819
+ A "H4'" H N N 62
820
+ A "H3'" H N N 63
821
+ A "HO3'" H N N 64
822
+ A "H2'" H N N 65
823
+ A "HO2'" H N N 66
824
+ A "H1'" H N N 67
825
+ A H8 H N N 68
826
+ A H61 H N N 69
827
+ A H62 H N N 70
828
+ A H2 H N N 71
829
+ C OP3 O N N 72
830
+ C P P N N 73
831
+ C OP1 O N N 74
832
+ C OP2 O N N 75
833
+ C "O5'" O N N 76
834
+ C "C5'" C N N 77
835
+ C "C4'" C N R 78
836
+ C "O4'" O N N 79
837
+ C "C3'" C N S 80
838
+ C "O3'" O N N 81
839
+ C "C2'" C N R 82
840
+ C "O2'" O N N 83
841
+ C "C1'" C N R 84
842
+ C N1 N N N 85
843
+ C C2 C N N 86
844
+ C O2 O N N 87
845
+ C N3 N N N 88
846
+ C C4 C N N 89
847
+ C N4 N N N 90
848
+ C C5 C N N 91
849
+ C C6 C N N 92
850
+ C HOP3 H N N 93
851
+ C HOP2 H N N 94
852
+ C "H5'" H N N 95
853
+ C "H5''" H N N 96
854
+ C "H4'" H N N 97
855
+ C "H3'" H N N 98
856
+ C "HO3'" H N N 99
857
+ C "H2'" H N N 100
858
+ C "HO2'" H N N 101
859
+ C "H1'" H N N 102
860
+ C H41 H N N 103
861
+ C H42 H N N 104
862
+ C H5 H N N 105
863
+ C H6 H N N 106
864
+ G OP3 O N N 107
865
+ G P P N N 108
866
+ G OP1 O N N 109
867
+ G OP2 O N N 110
868
+ G "O5'" O N N 111
869
+ G "C5'" C N N 112
870
+ G "C4'" C N R 113
871
+ G "O4'" O N N 114
872
+ G "C3'" C N S 115
873
+ G "O3'" O N N 116
874
+ G "C2'" C N R 117
875
+ G "O2'" O N N 118
876
+ G "C1'" C N R 119
877
+ G N9 N Y N 120
878
+ G C8 C Y N 121
879
+ G N7 N Y N 122
880
+ G C5 C Y N 123
881
+ G C6 C N N 124
882
+ G O6 O N N 125
883
+ G N1 N N N 126
884
+ G C2 C N N 127
885
+ G N2 N N N 128
886
+ G N3 N N N 129
887
+ G C4 C Y N 130
888
+ G HOP3 H N N 131
889
+ G HOP2 H N N 132
890
+ G "H5'" H N N 133
891
+ G "H5''" H N N 134
892
+ G "H4'" H N N 135
893
+ G "H3'" H N N 136
894
+ G "HO3'" H N N 137
895
+ G "H2'" H N N 138
896
+ G "HO2'" H N N 139
897
+ G "H1'" H N N 140
898
+ G H8 H N N 141
899
+ G H1 H N N 142
900
+ G H21 H N N 143
901
+ G H22 H N N 144
902
+ HOH O O N N 145
903
+ HOH H1 H N N 146
904
+ HOH H2 H N N 147
905
+ U OP3 O N N 148
906
+ U P P N N 149
907
+ U OP1 O N N 150
908
+ U OP2 O N N 151
909
+ U "O5'" O N N 152
910
+ U "C5'" C N N 153
911
+ U "C4'" C N R 154
912
+ U "O4'" O N N 155
913
+ U "C3'" C N S 156
914
+ U "O3'" O N N 157
915
+ U "C2'" C N R 158
916
+ U "O2'" O N N 159
917
+ U "C1'" C N R 160
918
+ U N1 N N N 161
919
+ U C2 C N N 162
920
+ U O2 O N N 163
921
+ U N3 N N N 164
922
+ U C4 C N N 165
923
+ U O4 O N N 166
924
+ U C5 C N N 167
925
+ U C6 C N N 168
926
+ U HOP3 H N N 169
927
+ U HOP2 H N N 170
928
+ U "H5'" H N N 171
929
+ U "H5''" H N N 172
930
+ U "H4'" H N N 173
931
+ U "H3'" H N N 174
932
+ U "HO3'" H N N 175
933
+ U "H2'" H N N 176
934
+ U "HO2'" H N N 177
935
+ U "H1'" H N N 178
936
+ U H3 H N N 179
937
+ U H5 H N N 180
938
+ U H6 H N N 181
939
+ #
940
+ loop_
941
+ _chem_comp_bond.comp_id
942
+ _chem_comp_bond.atom_id_1
943
+ _chem_comp_bond.atom_id_2
944
+ _chem_comp_bond.value_order
945
+ _chem_comp_bond.pdbx_aromatic_flag
946
+ _chem_comp_bond.pdbx_stereo_config
947
+ _chem_comp_bond.pdbx_ordinal
948
+ 5BU P OP1 doub N N 1
949
+ 5BU P OP2 sing N N 2
950
+ 5BU P OP3 sing N N 3
951
+ 5BU P "O5'" sing N N 4
952
+ 5BU OP2 HOP2 sing N N 5
953
+ 5BU OP3 HOP3 sing N N 6
954
+ 5BU "O5'" "C5'" sing N N 7
955
+ 5BU "C5'" "C4'" sing N N 8
956
+ 5BU "C5'" "H5'" sing N N 9
957
+ 5BU "C5'" "H5''" sing N N 10
958
+ 5BU "C4'" "O4'" sing N N 11
959
+ 5BU "C4'" "C3'" sing N N 12
960
+ 5BU "C4'" "H4'" sing N N 13
961
+ 5BU "O4'" "C1'" sing N N 14
962
+ 5BU "C3'" "O3'" sing N N 15
963
+ 5BU "C3'" "C2'" sing N N 16
964
+ 5BU "C3'" "H3'" sing N N 17
965
+ 5BU "O3'" "HO3'" sing N N 18
966
+ 5BU "C2'" "O2'" sing N N 19
967
+ 5BU "C2'" "C1'" sing N N 20
968
+ 5BU "C2'" "H2'" sing N N 21
969
+ 5BU "O2'" "HO2'" sing N N 22
970
+ 5BU "C1'" N1 sing N N 23
971
+ 5BU "C1'" "H1'" sing N N 24
972
+ 5BU N1 C2 sing N N 25
973
+ 5BU N1 C6 sing N N 26
974
+ 5BU C2 O2 doub N N 27
975
+ 5BU C2 N3 sing N N 28
976
+ 5BU N3 C4 sing N N 29
977
+ 5BU N3 H3 sing N N 30
978
+ 5BU C4 O4 doub N N 31
979
+ 5BU C4 C5 sing N N 32
980
+ 5BU C5 C6 doub N N 33
981
+ 5BU C5 BR sing N N 34
982
+ 5BU C6 H6 sing N N 35
983
+ A OP3 P sing N N 36
984
+ A OP3 HOP3 sing N N 37
985
+ A P OP1 doub N N 38
986
+ A P OP2 sing N N 39
987
+ A P "O5'" sing N N 40
988
+ A OP2 HOP2 sing N N 41
989
+ A "O5'" "C5'" sing N N 42
990
+ A "C5'" "C4'" sing N N 43
991
+ A "C5'" "H5'" sing N N 44
992
+ A "C5'" "H5''" sing N N 45
993
+ A "C4'" "O4'" sing N N 46
994
+ A "C4'" "C3'" sing N N 47
995
+ A "C4'" "H4'" sing N N 48
996
+ A "O4'" "C1'" sing N N 49
997
+ A "C3'" "O3'" sing N N 50
998
+ A "C3'" "C2'" sing N N 51
999
+ A "C3'" "H3'" sing N N 52
1000
+ A "O3'" "HO3'" sing N N 53
1001
+ A "C2'" "O2'" sing N N 54
1002
+ A "C2'" "C1'" sing N N 55
1003
+ A "C2'" "H2'" sing N N 56
1004
+ A "O2'" "HO2'" sing N N 57
1005
+ A "C1'" N9 sing N N 58
1006
+ A "C1'" "H1'" sing N N 59
1007
+ A N9 C8 sing Y N 60
1008
+ A N9 C4 sing Y N 61
1009
+ A C8 N7 doub Y N 62
1010
+ A C8 H8 sing N N 63
1011
+ A N7 C5 sing Y N 64
1012
+ A C5 C6 sing Y N 65
1013
+ A C5 C4 doub Y N 66
1014
+ A C6 N6 sing N N 67
1015
+ A C6 N1 doub Y N 68
1016
+ A N6 H61 sing N N 69
1017
+ A N6 H62 sing N N 70
1018
+ A N1 C2 sing Y N 71
1019
+ A C2 N3 doub Y N 72
1020
+ A C2 H2 sing N N 73
1021
+ A N3 C4 sing Y N 74
1022
+ C OP3 P sing N N 75
1023
+ C OP3 HOP3 sing N N 76
1024
+ C P OP1 doub N N 77
1025
+ C P OP2 sing N N 78
1026
+ C P "O5'" sing N N 79
1027
+ C OP2 HOP2 sing N N 80
1028
+ C "O5'" "C5'" sing N N 81
1029
+ C "C5'" "C4'" sing N N 82
1030
+ C "C5'" "H5'" sing N N 83
1031
+ C "C5'" "H5''" sing N N 84
1032
+ C "C4'" "O4'" sing N N 85
1033
+ C "C4'" "C3'" sing N N 86
1034
+ C "C4'" "H4'" sing N N 87
1035
+ C "O4'" "C1'" sing N N 88
1036
+ C "C3'" "O3'" sing N N 89
1037
+ C "C3'" "C2'" sing N N 90
1038
+ C "C3'" "H3'" sing N N 91
1039
+ C "O3'" "HO3'" sing N N 92
1040
+ C "C2'" "O2'" sing N N 93
1041
+ C "C2'" "C1'" sing N N 94
1042
+ C "C2'" "H2'" sing N N 95
1043
+ C "O2'" "HO2'" sing N N 96
1044
+ C "C1'" N1 sing N N 97
1045
+ C "C1'" "H1'" sing N N 98
1046
+ C N1 C2 sing N N 99
1047
+ C N1 C6 sing N N 100
1048
+ C C2 O2 doub N N 101
1049
+ C C2 N3 sing N N 102
1050
+ C N3 C4 doub N N 103
1051
+ C C4 N4 sing N N 104
1052
+ C C4 C5 sing N N 105
1053
+ C N4 H41 sing N N 106
1054
+ C N4 H42 sing N N 107
1055
+ C C5 C6 doub N N 108
1056
+ C C5 H5 sing N N 109
1057
+ C C6 H6 sing N N 110
1058
+ G OP3 P sing N N 111
1059
+ G OP3 HOP3 sing N N 112
1060
+ G P OP1 doub N N 113
1061
+ G P OP2 sing N N 114
1062
+ G P "O5'" sing N N 115
1063
+ G OP2 HOP2 sing N N 116
1064
+ G "O5'" "C5'" sing N N 117
1065
+ G "C5'" "C4'" sing N N 118
1066
+ G "C5'" "H5'" sing N N 119
1067
+ G "C5'" "H5''" sing N N 120
1068
+ G "C4'" "O4'" sing N N 121
1069
+ G "C4'" "C3'" sing N N 122
1070
+ G "C4'" "H4'" sing N N 123
1071
+ G "O4'" "C1'" sing N N 124
1072
+ G "C3'" "O3'" sing N N 125
1073
+ G "C3'" "C2'" sing N N 126
1074
+ G "C3'" "H3'" sing N N 127
1075
+ G "O3'" "HO3'" sing N N 128
1076
+ G "C2'" "O2'" sing N N 129
1077
+ G "C2'" "C1'" sing N N 130
1078
+ G "C2'" "H2'" sing N N 131
1079
+ G "O2'" "HO2'" sing N N 132
1080
+ G "C1'" N9 sing N N 133
1081
+ G "C1'" "H1'" sing N N 134
1082
+ G N9 C8 sing Y N 135
1083
+ G N9 C4 sing Y N 136
1084
+ G C8 N7 doub Y N 137
1085
+ G C8 H8 sing N N 138
1086
+ G N7 C5 sing Y N 139
1087
+ G C5 C6 sing N N 140
1088
+ G C5 C4 doub Y N 141
1089
+ G C6 O6 doub N N 142
1090
+ G C6 N1 sing N N 143
1091
+ G N1 C2 sing N N 144
1092
+ G N1 H1 sing N N 145
1093
+ G C2 N2 sing N N 146
1094
+ G C2 N3 doub N N 147
1095
+ G N2 H21 sing N N 148
1096
+ G N2 H22 sing N N 149
1097
+ G N3 C4 sing N N 150
1098
+ HOH O H1 sing N N 151
1099
+ HOH O H2 sing N N 152
1100
+ U OP3 P sing N N 153
1101
+ U OP3 HOP3 sing N N 154
1102
+ U P OP1 doub N N 155
1103
+ U P OP2 sing N N 156
1104
+ U P "O5'" sing N N 157
1105
+ U OP2 HOP2 sing N N 158
1106
+ U "O5'" "C5'" sing N N 159
1107
+ U "C5'" "C4'" sing N N 160
1108
+ U "C5'" "H5'" sing N N 161
1109
+ U "C5'" "H5''" sing N N 162
1110
+ U "C4'" "O4'" sing N N 163
1111
+ U "C4'" "C3'" sing N N 164
1112
+ U "C4'" "H4'" sing N N 165
1113
+ U "O4'" "C1'" sing N N 166
1114
+ U "C3'" "O3'" sing N N 167
1115
+ U "C3'" "C2'" sing N N 168
1116
+ U "C3'" "H3'" sing N N 169
1117
+ U "O3'" "HO3'" sing N N 170
1118
+ U "C2'" "O2'" sing N N 171
1119
+ U "C2'" "C1'" sing N N 172
1120
+ U "C2'" "H2'" sing N N 173
1121
+ U "O2'" "HO2'" sing N N 174
1122
+ U "C1'" N1 sing N N 175
1123
+ U "C1'" "H1'" sing N N 176
1124
+ U N1 C2 sing N N 177
1125
+ U N1 C6 sing N N 178
1126
+ U C2 O2 doub N N 179
1127
+ U C2 N3 sing N N 180
1128
+ U N3 C4 sing N N 181
1129
+ U N3 H3 sing N N 182
1130
+ U C4 O4 doub N N 183
1131
+ U C4 C5 sing N N 184
1132
+ U C5 C6 doub N N 185
1133
+ U C5 H5 sing N N 186
1134
+ U C6 H6 sing N N 187
1135
+ #
1136
+ loop_
1137
+ _ndb_struct_conf_na.entry_id
1138
+ _ndb_struct_conf_na.feature
1139
+ 1KFO 'double helix'
1140
+ 1KFO 'a-form double helix'
1141
+ 1KFO 'mismatched base pair'
1142
+ #
1143
+ loop_
1144
+ _ndb_struct_na_base_pair.model_number
1145
+ _ndb_struct_na_base_pair.i_label_asym_id
1146
+ _ndb_struct_na_base_pair.i_label_comp_id
1147
+ _ndb_struct_na_base_pair.i_label_seq_id
1148
+ _ndb_struct_na_base_pair.i_symmetry
1149
+ _ndb_struct_na_base_pair.j_label_asym_id
1150
+ _ndb_struct_na_base_pair.j_label_comp_id
1151
+ _ndb_struct_na_base_pair.j_label_seq_id
1152
+ _ndb_struct_na_base_pair.j_symmetry
1153
+ _ndb_struct_na_base_pair.shear
1154
+ _ndb_struct_na_base_pair.stretch
1155
+ _ndb_struct_na_base_pair.stagger
1156
+ _ndb_struct_na_base_pair.buckle
1157
+ _ndb_struct_na_base_pair.propeller
1158
+ _ndb_struct_na_base_pair.opening
1159
+ _ndb_struct_na_base_pair.pair_number
1160
+ _ndb_struct_na_base_pair.pair_name
1161
+ _ndb_struct_na_base_pair.i_auth_asym_id
1162
+ _ndb_struct_na_base_pair.i_auth_seq_id
1163
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1164
+ _ndb_struct_na_base_pair.j_auth_asym_id
1165
+ _ndb_struct_na_base_pair.j_auth_seq_id
1166
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1167
+ _ndb_struct_na_base_pair.hbond_type_28
1168
+ _ndb_struct_na_base_pair.hbond_type_12
1169
+ 1 A G 1 1_555 A C 18 7_555 -0.475 -0.350 -0.181 -8.259 -10.553 -0.741 1 A_G1:C18_A A 1 ? A 18 ? 19 1
1170
+ 1 A A 2 1_555 A C 17 7_555 -2.067 -0.541 0.326 6.121 -15.481 11.318 2 A_A2:C17_A A 2 ? A 17 ? ? 1
1171
+ 1 A A 3 1_555 A 5BU 16 7_555 -0.007 -0.197 -0.021 1.367 -17.615 1.511 3 A_A3:5BU16_A A 3 ? A 16 ? 20 1
1172
+ 1 A U 4 1_555 A A 15 7_555 -0.048 -0.099 0.109 2.640 -14.016 6.252 4 A_U4:A15_A A 4 ? A 15 ? 20 1
1173
+ 1 A G 5 1_555 A C 14 7_555 -0.170 -0.194 -0.003 -0.543 -10.029 2.008 5 A_G5:C14_A A 5 ? A 14 ? 19 1
1174
+ 1 A C 6 1_555 A G 13 7_555 0.227 -0.215 -0.079 1.484 -12.541 -0.181 6 A_C6:G13_A A 6 ? A 13 ? 19 1
1175
+ 1 A C 7 1_555 A A 12 7_555 2.480 -0.508 0.194 -0.534 -8.005 7.567 7 A_C7:A12_A A 7 ? A 12 ? ? 1
1176
+ 1 A U 8 1_555 A G 11 7_555 2.339 -0.643 0.011 4.816 -13.947 -3.237 8 A_U8:G11_A A 8 ? A 11 ? 28 ?
1177
+ 1 A G 9 1_555 A C 10 7_555 -0.162 -0.165 0.047 -0.476 -6.572 -0.086 9 A_G9:C10_A A 9 ? A 10 ? 19 1
1178
+ 1 A C 10 1_555 A G 9 7_555 0.162 -0.165 0.047 0.476 -6.572 -0.086 10 A_C10:G9_A A 10 ? A 9 ? 19 1
1179
+ 1 A G 11 1_555 A U 8 7_555 -2.339 -0.643 0.011 -4.816 -13.947 -3.237 11 A_G11:U8_A A 11 ? A 8 ? 28 ?
1180
+ 1 A A 12 1_555 A C 7 7_555 -2.480 -0.508 0.194 0.534 -8.005 7.567 12 A_A12:C7_A A 12 ? A 7 ? ? 1
1181
+ 1 A G 13 1_555 A C 6 7_555 -0.227 -0.215 -0.079 -1.484 -12.541 -0.181 13 A_G13:C6_A A 13 ? A 6 ? 19 1
1182
+ 1 A C 14 1_555 A G 5 7_555 0.170 -0.194 -0.003 0.543 -10.029 2.008 14 A_C14:G5_A A 14 ? A 5 ? 19 1
1183
+ 1 A A 15 1_555 A U 4 7_555 0.048 -0.099 0.109 -2.640 -14.016 6.252 15 A_A15:U4_A A 15 ? A 4 ? 20 1
1184
+ 1 A 5BU 16 1_555 A A 3 7_555 0.007 -0.197 -0.021 -1.367 -17.615 1.511 16 A_5BU16:A3_A A 16 ? A 3 ? 20 1
1185
+ 1 A C 17 1_555 A A 2 7_555 2.067 -0.541 0.326 -6.121 -15.481 11.318 17 A_C17:A2_A A 17 ? A 2 ? ? 1
1186
+ 1 A C 18 1_555 A G 1 7_555 0.475 -0.350 -0.181 8.259 -10.553 -0.741 18 A_C18:G1_A A 18 ? A 1 ? 19 1
1187
+ #
1188
+ loop_
1189
+ _ndb_struct_na_base_pair_step.model_number
1190
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1191
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1192
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1193
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1194
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1195
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1196
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1197
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1198
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1199
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1200
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1201
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1202
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1203
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1204
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1205
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1206
+ _ndb_struct_na_base_pair_step.shift
1207
+ _ndb_struct_na_base_pair_step.slide
1208
+ _ndb_struct_na_base_pair_step.rise
1209
+ _ndb_struct_na_base_pair_step.tilt
1210
+ _ndb_struct_na_base_pair_step.roll
1211
+ _ndb_struct_na_base_pair_step.twist
1212
+ _ndb_struct_na_base_pair_step.x_displacement
1213
+ _ndb_struct_na_base_pair_step.y_displacement
1214
+ _ndb_struct_na_base_pair_step.helical_rise
1215
+ _ndb_struct_na_base_pair_step.inclination
1216
+ _ndb_struct_na_base_pair_step.tip
1217
+ _ndb_struct_na_base_pair_step.helical_twist
1218
+ _ndb_struct_na_base_pair_step.step_number
1219
+ _ndb_struct_na_base_pair_step.step_name
1220
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1221
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1222
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1223
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1224
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1225
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1226
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1227
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1228
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1229
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1230
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1231
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1232
+ 1 A G 1 1_555 A C 18 7_555 A A 2 1_555 A C 17 7_555 0.223 -1.770 2.702 -6.421 9.611 28.556 -4.720 -1.344 1.925 18.553
1233
+ 12.394 30.761 1 AA_G1A2:C17C18_AA A 1 ? A 18 ? A 2 ? A 17 ?
1234
+ 1 A A 2 1_555 A C 17 7_555 A A 3 1_555 A 5BU 16 7_555 -0.358 -0.655 3.455 0.623 6.643 38.119 -1.837 0.619 3.293 10.076
1235
+ -0.945 38.677 2 AA_A2A3:5BU16C17_AA A 2 ? A 17 ? A 3 ? A 16 ?
1236
+ 1 A A 3 1_555 A 5BU 16 7_555 A U 4 1_555 A A 15 7_555 0.463 -1.290 3.238 0.272 6.189 32.172 -3.305 -0.777 2.949 11.039
1237
+ -0.485 32.748 3 AA_A3U4:A155BU16_AA A 3 ? A 16 ? A 4 ? A 15 ?
1238
+ 1 A U 4 1_555 A A 15 7_555 A G 5 1_555 A C 14 7_555 -0.371 -1.511 3.221 -0.612 10.245 31.133 -4.297 0.561 2.612 18.470
1239
+ 1.104 32.741 4 AA_U4G5:C14A15_AA A 4 ? A 15 ? A 5 ? A 14 ?
1240
+ 1 A G 5 1_555 A C 14 7_555 A C 6 1_555 A G 13 7_555 -0.310 -1.534 3.246 -0.757 6.530 32.761 -3.695 0.420 2.901 11.434
1241
+ 1.325 33.397 5 AA_G5C6:G13C14_AA A 5 ? A 14 ? A 6 ? A 13 ?
1242
+ 1 A C 6 1_555 A G 13 7_555 A C 7 1_555 A A 12 7_555 0.180 -1.295 3.396 -1.091 7.709 38.857 -2.815 -0.393 3.088 11.448
1243
+ 1.620 39.600 6 AA_C6C7:A12G13_AA A 6 ? A 13 ? A 7 ? A 12 ?
1244
+ 1 A C 7 1_555 A A 12 7_555 A U 8 1_555 A G 11 7_555 -0.284 -1.765 2.985 7.233 7.941 32.838 -4.014 1.424 2.392 13.601
1245
+ -12.388 34.504 7 AA_C7U8:G11A12_AA A 7 ? A 12 ? A 8 ? A 11 ?
1246
+ 1 A U 8 1_555 A G 11 7_555 A G 9 1_555 A C 10 7_555 0.138 -2.611 3.243 0.706 9.674 16.824 -11.499 -0.136 1.528 30.033
1247
+ -2.191 19.403 8 AA_U8G9:C10G11_AA A 8 ? A 11 ? A 9 ? A 10 ?
1248
+ 1 A G 9 1_555 A C 10 7_555 A C 10 1_555 A G 9 7_555 0.000 -2.302 3.267 0.000 2.246 32.517 -4.482 0.000 3.105 4.006
1249
+ 0.000 32.592 9 AA_G9C10:G9C10_AA A 9 ? A 10 ? A 10 ? A 9 ?
1250
+ 1 A C 10 1_555 A G 9 7_555 A G 11 1_555 A U 8 7_555 -0.138 -2.611 3.243 -0.706 9.674 16.824 -11.499 0.136 1.528 30.034
1251
+ 2.191 19.403 10 AA_C10G11:U8G9_AA A 10 ? A 9 ? A 11 ? A 8 ?
1252
+ 1 A G 11 1_555 A U 8 7_555 A A 12 1_555 A C 7 7_555 0.284 -1.765 2.985 -7.233 7.941 32.838 -4.014 -1.424 2.392 13.601
1253
+ 12.388 34.504 11 AA_G11A12:C7U8_AA A 11 ? A 8 ? A 12 ? A 7 ?
1254
+ 1 A A 12 1_555 A C 7 7_555 A G 13 1_555 A C 6 7_555 -0.180 -1.295 3.396 1.091 7.709 38.857 -2.815 0.393 3.088 11.448
1255
+ -1.620 39.600 12 AA_A12G13:C6C7_AA A 12 ? A 7 ? A 13 ? A 6 ?
1256
+ 1 A G 13 1_555 A C 6 7_555 A C 14 1_555 A G 5 7_555 0.310 -1.534 3.246 0.757 6.530 32.761 -3.695 -0.420 2.901 11.434
1257
+ -1.325 33.397 13 AA_G13C14:G5C6_AA A 13 ? A 6 ? A 14 ? A 5 ?
1258
+ 1 A C 14 1_555 A G 5 7_555 A A 15 1_555 A U 4 7_555 0.371 -1.511 3.221 0.612 10.245 31.133 -4.297 -0.561 2.612 18.470
1259
+ -1.104 32.741 14 AA_C14A15:U4G5_AA A 14 ? A 5 ? A 15 ? A 4 ?
1260
+ 1 A A 15 1_555 A U 4 7_555 A 5BU 16 1_555 A A 3 7_555 -0.463 -1.290 3.238 -0.272 6.189 32.172 -3.305 0.777 2.949 11.039
1261
+ 0.485 32.748 15 AA_A155BU16:A3U4_AA A 15 ? A 4 ? A 16 ? A 3 ?
1262
+ 1 A 5BU 16 1_555 A A 3 7_555 A C 17 1_555 A A 2 7_555 0.358 -0.655 3.455 -0.623 6.643 38.119 -1.837 -0.619 3.293 10.076
1263
+ 0.945 38.677 16 AA_5BU16C17:A2A3_AA A 16 ? A 3 ? A 17 ? A 2 ?
1264
+ 1 A C 17 1_555 A A 2 7_555 A C 18 1_555 A G 1 7_555 -0.223 -1.770 2.702 6.421 9.611 28.556 -4.720 1.344 1.925 18.553
1265
+ -12.394 30.761 17 AA_C17C18:G1A2_AA A 17 ? A 2 ? A 18 ? A 1 ?
1266
+ #
1267
+ _atom_sites.entry_id 1KFO
1268
+ _atom_sites.fract_transf_matrix[1][1] 0.022058
1269
+ _atom_sites.fract_transf_matrix[1][2] 0.012735
1270
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1271
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1272
+ _atom_sites.fract_transf_matrix[2][2] 0.025470
1273
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1274
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1275
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1276
+ _atom_sites.fract_transf_matrix[3][3] 0.010512
1277
+ _atom_sites.fract_transf_vector[1] 0.00000
1278
+ _atom_sites.fract_transf_vector[2] 0.00000
1279
+ _atom_sites.fract_transf_vector[3] 0.00000
1280
+ #
1281
+ loop_
1282
+ _atom_type.symbol
1283
+ BR
1284
+ C
1285
+ N
1286
+ O
1287
+ P
1288
+ #
1289
+ loop_
1290
+ _atom_site.group_PDB
1291
+ _atom_site.id
1292
+ _atom_site.type_symbol
1293
+ _atom_site.label_atom_id
1294
+ _atom_site.label_alt_id
1295
+ _atom_site.label_comp_id
1296
+ _atom_site.label_asym_id
1297
+ _atom_site.label_entity_id
1298
+ _atom_site.label_seq_id
1299
+ _atom_site.pdbx_PDB_ins_code
1300
+ _atom_site.Cartn_x
1301
+ _atom_site.Cartn_y
1302
+ _atom_site.Cartn_z
1303
+ _atom_site.occupancy
1304
+ _atom_site.B_iso_or_equiv
1305
+ _atom_site.pdbx_formal_charge
1306
+ _atom_site.auth_seq_id
1307
+ _atom_site.auth_comp_id
1308
+ _atom_site.auth_asym_id
1309
+ _atom_site.auth_atom_id
1310
+ _atom_site.pdbx_PDB_model_num
1311
+ ATOM 1 O "O5'" . G A 1 1 ? 29.129 -3.366 19.403 1.00 41.86 ? 1 G A "O5'" 1
1312
+ ATOM 2 C "C5'" . G A 1 1 ? 27.773 -3.523 18.978 1.00 39.89 ? 1 G A "C5'" 1
1313
+ ATOM 3 C "C4'" . G A 1 1 ? 27.128 -4.789 19.488 1.00 39.43 ? 1 G A "C4'" 1
1314
+ ATOM 4 O "O4'" . G A 1 1 ? 26.841 -4.647 20.904 1.00 37.71 ? 1 G A "O4'" 1
1315
+ ATOM 5 C "C3'" . G A 1 1 ? 25.791 -5.146 18.863 1.00 39.78 ? 1 G A "C3'" 1
1316
+ ATOM 6 O "O3'" . G A 1 1 ? 25.952 -5.826 17.620 1.00 41.90 ? 1 G A "O3'" 1
1317
+ ATOM 7 C "C2'" . G A 1 1 ? 25.155 -6.008 19.945 1.00 39.18 ? 1 G A "C2'" 1
1318
+ ATOM 8 O "O2'" . G A 1 1 ? 25.626 -7.339 19.971 1.00 39.79 ? 1 G A "O2'" 1
1319
+ ATOM 9 C "C1'" . G A 1 1 ? 25.605 -5.269 21.206 1.00 36.74 ? 1 G A "C1'" 1
1320
+ ATOM 10 N N9 . G A 1 1 ? 24.656 -4.208 21.512 1.00 32.05 ? 1 G A N9 1
1321
+ ATOM 11 C C8 . G A 1 1 ? 24.886 -2.855 21.458 1.00 32.20 ? 1 G A C8 1
1322
+ ATOM 12 N N7 . G A 1 1 ? 23.832 -2.144 21.749 1.00 31.22 ? 1 G A N7 1
1323
+ ATOM 13 C C5 . G A 1 1 ? 22.850 -3.088 22.024 1.00 30.72 ? 1 G A C5 1
1324
+ ATOM 14 C C6 . G A 1 1 ? 21.497 -2.920 22.405 1.00 30.24 ? 1 G A C6 1
1325
+ ATOM 15 O O6 . G A 1 1 ? 20.873 -1.869 22.587 1.00 31.21 ? 1 G A O6 1
1326
+ ATOM 16 N N1 . G A 1 1 ? 20.858 -4.145 22.578 1.00 31.96 ? 1 G A N1 1
1327
+ ATOM 17 C C2 . G A 1 1 ? 21.445 -5.375 22.406 1.00 29.89 ? 1 G A C2 1
1328
+ ATOM 18 N N2 . G A 1 1 ? 20.661 -6.438 22.621 1.00 32.26 ? 1 G A N2 1
1329
+ ATOM 19 N N3 . G A 1 1 ? 22.705 -5.546 22.052 1.00 31.09 ? 1 G A N3 1
1330
+ ATOM 20 C C4 . G A 1 1 ? 23.346 -4.366 21.882 1.00 30.68 ? 1 G A C4 1
1331
+ ATOM 21 P P . A A 1 2 ? 24.793 -5.730 16.506 1.00 40.97 ? 2 A A P 1
1332
+ ATOM 22 O OP1 . A A 1 2 ? 25.231 -6.476 15.298 1.00 44.44 ? 2 A A OP1 1
1333
+ ATOM 23 O OP2 . A A 1 2 ? 24.392 -4.310 16.381 1.00 42.77 ? 2 A A OP2 1
1334
+ ATOM 24 O "O5'" . A A 1 2 ? 23.590 -6.538 17.156 1.00 40.85 ? 2 A A "O5'" 1
1335
+ ATOM 25 C "C5'" . A A 1 2 ? 23.680 -7.942 17.337 1.00 37.73 ? 2 A A "C5'" 1
1336
+ ATOM 26 C "C4'" . A A 1 2 ? 22.310 -8.515 17.554 1.00 39.12 ? 2 A A "C4'" 1
1337
+ ATOM 27 O "O4'" . A A 1 2 ? 21.814 -8.085 18.848 1.00 38.40 ? 2 A A "O4'" 1
1338
+ ATOM 28 C "C3'" . A A 1 2 ? 21.268 -8.032 16.559 1.00 39.65 ? 2 A A "C3'" 1
1339
+ ATOM 29 O "O3'" . A A 1 2 ? 21.325 -8.808 15.359 1.00 41.65 ? 2 A A "O3'" 1
1340
+ ATOM 30 C "C2'" . A A 1 2 ? 19.983 -8.225 17.357 1.00 39.59 ? 2 A A "C2'" 1
1341
+ ATOM 31 O "O2'" . A A 1 2 ? 19.577 -9.578 17.425 1.00 43.07 ? 2 A A "O2'" 1
1342
+ ATOM 32 C "C1'" . A A 1 2 ? 20.433 -7.779 18.751 1.00 37.95 ? 2 A A "C1'" 1
1343
+ ATOM 33 N N9 . A A 1 2 ? 20.275 -6.342 18.981 1.00 34.73 ? 2 A A N9 1
1344
+ ATOM 34 C C8 . A A 1 2 ? 21.213 -5.360 18.796 1.00 33.06 ? 2 A A C8 1
1345
+ ATOM 35 N N7 . A A 1 2 ? 20.790 -4.160 19.103 1.00 32.50 ? 2 A A N7 1
1346
+ ATOM 36 C C5 . A A 1 2 ? 19.483 -4.364 19.518 1.00 34.56 ? 2 A A C5 1
1347
+ ATOM 37 C C6 . A A 1 2 ? 18.490 -3.486 19.980 1.00 34.23 ? 2 A A C6 1
1348
+ ATOM 38 N N6 . A A 1 2 ? 18.669 -2.169 20.121 1.00 36.26 ? 2 A A N6 1
1349
+ ATOM 39 N N1 . A A 1 2 ? 17.291 -4.014 20.302 1.00 35.85 ? 2 A A N1 1
1350
+ ATOM 40 C C2 . A A 1 2 ? 17.114 -5.334 20.172 1.00 34.04 ? 2 A A C2 1
1351
+ ATOM 41 N N3 . A A 1 2 ? 17.970 -6.261 19.756 1.00 34.59 ? 2 A A N3 1
1352
+ ATOM 42 C C4 . A A 1 2 ? 19.150 -5.704 19.439 1.00 34.12 ? 2 A A C4 1
1353
+ ATOM 43 P P . A A 1 3 ? 21.022 -8.119 13.928 1.00 42.12 ? 3 A A P 1
1354
+ ATOM 44 O OP1 . A A 1 3 ? 21.229 -9.162 12.890 1.00 42.60 ? 3 A A OP1 1
1355
+ ATOM 45 O OP2 . A A 1 3 ? 21.746 -6.827 13.810 1.00 41.58 ? 3 A A OP2 1
1356
+ ATOM 46 O "O5'" . A A 1 3 ? 19.458 -7.852 13.983 1.00 39.00 ? 3 A A "O5'" 1
1357
+ ATOM 47 C "C5'" . A A 1 3 ? 18.577 -8.953 14.121 1.00 36.09 ? 3 A A "C5'" 1
1358
+ ATOM 48 C "C4'" . A A 1 3 ? 17.236 -8.498 14.605 1.00 35.00 ? 3 A A "C4'" 1
1359
+ ATOM 49 O "O4'" . A A 1 3 ? 17.394 -7.870 15.907 1.00 34.01 ? 3 A A "O4'" 1
1360
+ ATOM 50 C "C3'" . A A 1 3 ? 16.587 -7.424 13.755 1.00 33.82 ? 3 A A "C3'" 1
1361
+ ATOM 51 O "O3'" . A A 1 3 ? 15.959 -7.991 12.609 1.00 34.86 ? 3 A A "O3'" 1
1362
+ ATOM 52 C "C2'" . A A 1 3 ? 15.630 -6.790 14.752 1.00 33.68 ? 3 A A "C2'" 1
1363
+ ATOM 53 O "O2'" . A A 1 3 ? 14.488 -7.591 14.979 1.00 35.49 ? 3 A A "O2'" 1
1364
+ ATOM 54 C "C1'" . A A 1 3 ? 16.482 -6.797 16.023 1.00 32.03 ? 3 A A "C1'" 1
1365
+ ATOM 55 N N9 . A A 1 3 ? 17.236 -5.553 16.169 1.00 29.81 ? 3 A A N9 1
1366
+ ATOM 56 C C8 . A A 1 3 ? 18.545 -5.262 15.858 1.00 28.66 ? 3 A A C8 1
1367
+ ATOM 57 N N7 . A A 1 3 ? 18.883 -4.014 16.108 1.00 28.64 ? 3 A A N7 1
1368
+ ATOM 58 C C5 . A A 1 3 ? 17.718 -3.454 16.623 1.00 27.32 ? 3 A A C5 1
1369
+ ATOM 59 C C6 . A A 1 3 ? 17.400 -2.160 17.089 1.00 26.71 ? 3 A A C6 1
1370
+ ATOM 60 N N6 . A A 1 3 ? 18.260 -1.139 17.119 1.00 26.73 ? 3 A A N6 1
1371
+ ATOM 61 N N1 . A A 1 3 ? 16.141 -1.947 17.532 1.00 26.67 ? 3 A A N1 1
1372
+ ATOM 62 C C2 . A A 1 3 ? 15.268 -2.966 17.509 1.00 26.21 ? 3 A A C2 1
1373
+ ATOM 63 N N3 . A A 1 3 ? 15.445 -4.214 17.099 1.00 27.56 ? 3 A A N3 1
1374
+ ATOM 64 C C4 . A A 1 3 ? 16.702 -4.396 16.665 1.00 26.63 ? 3 A A C4 1
1375
+ ATOM 65 P P . U A 1 4 ? 16.004 -7.204 11.206 1.00 37.12 ? 4 U A P 1
1376
+ ATOM 66 O OP1 . U A 1 4 ? 15.506 -8.123 10.144 1.00 36.75 ? 4 U A OP1 1
1377
+ ATOM 67 O OP2 . U A 1 4 ? 17.349 -6.596 11.064 1.00 35.10 ? 4 U A OP2 1
1378
+ ATOM 68 O "O5'" . U A 1 4 ? 14.906 -6.071 11.407 1.00 33.82 ? 4 U A "O5'" 1
1379
+ ATOM 69 C "C5'" . U A 1 4 ? 13.562 -6.452 11.687 1.00 33.66 ? 4 U A "C5'" 1
1380
+ ATOM 70 C "C4'" . U A 1 4 ? 12.747 -5.284 12.188 1.00 31.05 ? 4 U A "C4'" 1
1381
+ ATOM 71 O "O4'" . U A 1 4 ? 13.269 -4.836 13.466 1.00 31.61 ? 4 U A "O4'" 1
1382
+ ATOM 72 C "C3'" . U A 1 4 ? 12.758 -4.034 11.329 1.00 32.73 ? 4 U A "C3'" 1
1383
+ ATOM 73 O "O3'" . U A 1 4 ? 11.852 -4.136 10.245 1.00 33.30 ? 4 U A "O3'" 1
1384
+ ATOM 74 C "C2'" . U A 1 4 ? 12.361 -2.965 12.333 1.00 29.81 ? 4 U A "C2'" 1
1385
+ ATOM 75 O "O2'" . U A 1 4 ? 10.975 -3.000 12.618 1.00 31.21 ? 4 U A "O2'" 1
1386
+ ATOM 76 C "C1'" . U A 1 4 ? 13.125 -3.429 13.571 1.00 29.53 ? 4 U A "C1'" 1
1387
+ ATOM 77 N N1 . U A 1 4 ? 14.460 -2.818 13.636 1.00 26.75 ? 4 U A N1 1
1388
+ ATOM 78 C C2 . U A 1 4 ? 14.530 -1.551 14.160 1.00 24.24 ? 4 U A C2 1
1389
+ ATOM 79 O O2 . U A 1 4 ? 13.550 -0.968 14.576 1.00 26.67 ? 4 U A O2 1
1390
+ ATOM 80 N N3 . U A 1 4 ? 15.782 -0.993 14.181 1.00 24.88 ? 4 U A N3 1
1391
+ ATOM 81 C C4 . U A 1 4 ? 16.949 -1.564 13.741 1.00 24.38 ? 4 U A C4 1
1392
+ ATOM 82 O O4 . U A 1 4 ? 17.997 -0.924 13.816 1.00 26.76 ? 4 U A O4 1
1393
+ ATOM 83 C C5 . U A 1 4 ? 16.803 -2.890 13.217 1.00 25.72 ? 4 U A C5 1
1394
+ ATOM 84 C C6 . U A 1 4 ? 15.588 -3.460 13.185 1.00 24.98 ? 4 U A C6 1
1395
+ ATOM 85 P P . G A 1 5 ? 12.178 -3.374 8.871 1.00 35.21 ? 5 G A P 1
1396
+ ATOM 86 O OP1 . G A 1 5 ? 11.270 -3.952 7.838 1.00 34.97 ? 5 G A OP1 1
1397
+ ATOM 87 O OP2 . G A 1 5 ? 13.644 -3.386 8.648 1.00 32.92 ? 5 G A OP2 1
1398
+ ATOM 88 O "O5'" . G A 1 5 ? 11.735 -1.874 9.169 1.00 33.09 ? 5 G A "O5'" 1
1399
+ ATOM 89 C "C5'" . G A 1 5 ? 10.407 -1.600 9.589 1.00 32.78 ? 5 G A "C5'" 1
1400
+ ATOM 90 C "C4'" . G A 1 5 ? 10.279 -0.181 10.085 1.00 31.53 ? 5 G A "C4'" 1
1401
+ ATOM 91 O "O4'" . G A 1 5 ? 11.020 -0.025 11.328 1.00 30.46 ? 5 G A "O4'" 1
1402
+ ATOM 92 C "C3'" . G A 1 5 ? 10.860 0.891 9.177 1.00 30.33 ? 5 G A "C3'" 1
1403
+ ATOM 93 O "O3'" . G A 1 5 ? 9.982 1.225 8.111 1.00 31.50 ? 5 G A "O3'" 1
1404
+ ATOM 94 C "C2'" . G A 1 5 ? 11.083 2.037 10.155 1.00 27.79 ? 5 G A "C2'" 1
1405
+ ATOM 95 O "O2'" . G A 1 5 ? 9.878 2.701 10.496 1.00 28.27 ? 5 G A "O2'" 1
1406
+ ATOM 96 C "C1'" . G A 1 5 ? 11.574 1.282 11.387 1.00 28.55 ? 5 G A "C1'" 1
1407
+ ATOM 97 N N9 . G A 1 5 ? 13.026 1.177 11.401 1.00 24.93 ? 5 G A N9 1
1408
+ ATOM 98 C C8 . G A 1 5 ? 13.786 0.092 11.057 1.00 22.40 ? 5 G A C8 1
1409
+ ATOM 99 N N7 . G A 1 5 ? 15.067 0.296 11.193 1.00 23.15 ? 5 G A N7 1
1410
+ ATOM 100 C C5 . G A 1 5 ? 15.157 1.604 11.655 1.00 23.57 ? 5 G A C5 1
1411
+ ATOM 101 C C6 . G A 1 5 ? 16.292 2.383 11.999 1.00 22.13 ? 5 G A C6 1
1412
+ ATOM 102 O O6 . G A 1 5 ? 17.488 2.061 11.981 1.00 23.39 ? 5 G A O6 1
1413
+ ATOM 103 N N1 . G A 1 5 ? 15.925 3.663 12.407 1.00 21.88 ? 5 G A N1 1
1414
+ ATOM 104 C C2 . G A 1 5 ? 14.638 4.131 12.484 1.00 22.62 ? 5 G A C2 1
1415
+ ATOM 105 N N2 . G A 1 5 ? 14.492 5.405 12.888 1.00 23.67 ? 5 G A N2 1
1416
+ ATOM 106 N N3 . G A 1 5 ? 13.570 3.408 12.182 1.00 24.35 ? 5 G A N3 1
1417
+ ATOM 107 C C4 . G A 1 5 ? 13.905 2.164 11.776 1.00 23.99 ? 5 G A C4 1
1418
+ ATOM 108 P P . C A 1 6 ? 10.585 1.834 6.748 1.00 30.26 ? 6 C A P 1
1419
+ ATOM 109 O OP1 . C A 1 6 ? 9.476 1.937 5.758 1.00 31.37 ? 6 C A OP1 1
1420
+ ATOM 110 O OP2 . C A 1 6 ? 11.815 1.088 6.378 1.00 30.80 ? 6 C A OP2 1
1421
+ ATOM 111 O "O5'" . C A 1 6 ? 11.014 3.309 7.150 1.00 29.34 ? 6 C A "O5'" 1
1422
+ ATOM 112 C "C5'" . C A 1 6 ? 10.050 4.255 7.569 1.00 27.00 ? 6 C A "C5'" 1
1423
+ ATOM 113 C "C4'" . C A 1 6 ? 10.724 5.533 7.995 1.00 26.45 ? 6 C A "C4'" 1
1424
+ ATOM 114 O "O4'" . C A 1 6 ? 11.572 5.254 9.139 1.00 26.53 ? 6 C A "O4'" 1
1425
+ ATOM 115 C "C3'" . C A 1 6 ? 11.687 6.136 6.985 1.00 26.49 ? 6 C A "C3'" 1
1426
+ ATOM 116 O "O3'" . C A 1 6 ? 11.020 6.886 5.987 1.00 26.60 ? 6 C A "O3'" 1
1427
+ ATOM 117 C "C2'" . C A 1 6 ? 12.581 6.986 7.878 1.00 24.20 ? 6 C A "C2'" 1
1428
+ ATOM 118 O "O2'" . C A 1 6 ? 11.935 8.165 8.327 1.00 27.25 ? 6 C A "O2'" 1
1429
+ ATOM 119 C "C1'" . C A 1 6 ? 12.729 6.070 9.085 1.00 26.24 ? 6 C A "C1'" 1
1430
+ ATOM 120 N N1 . C A 1 6 ? 13.918 5.214 8.996 1.00 23.75 ? 6 C A N1 1
1431
+ ATOM 121 C C2 . C A 1 6 ? 15.147 5.770 9.349 1.00 20.47 ? 6 C A C2 1
1432
+ ATOM 122 O O2 . C A 1 6 ? 15.181 6.969 9.689 1.00 22.82 ? 6 C A O2 1
1433
+ ATOM 123 N N3 . C A 1 6 ? 16.253 5.008 9.310 1.00 22.02 ? 6 C A N3 1
1434
+ ATOM 124 C C4 . C A 1 6 ? 16.171 3.731 8.931 1.00 22.41 ? 6 C A C4 1
1435
+ ATOM 125 N N4 . C A 1 6 ? 17.293 3.003 8.935 1.00 23.21 ? 6 C A N4 1
1436
+ ATOM 126 C C5 . C A 1 6 ? 14.933 3.140 8.537 1.00 23.51 ? 6 C A C5 1
1437
+ ATOM 127 C C6 . C A 1 6 ? 13.842 3.912 8.587 1.00 22.12 ? 6 C A C6 1
1438
+ ATOM 128 P P . C A 1 7 ? 11.640 6.959 4.510 1.00 26.53 ? 7 C A P 1
1439
+ ATOM 129 O OP1 . C A 1 7 ? 10.706 7.771 3.678 1.00 29.71 ? 7 C A OP1 1
1440
+ ATOM 130 O OP2 . C A 1 7 ? 12.045 5.610 4.055 1.00 28.16 ? 7 C A OP2 1
1441
+ ATOM 131 O "O5'" . C A 1 7 ? 12.976 7.806 4.700 1.00 24.09 ? 7 C A "O5'" 1
1442
+ ATOM 132 C "C5'" . C A 1 7 ? 12.909 9.175 5.058 1.00 23.34 ? 7 C A "C5'" 1
1443
+ ATOM 133 C "C4'" . C A 1 7 ? 14.297 9.712 5.284 1.00 22.34 ? 7 C A "C4'" 1
1444
+ ATOM 134 O "O4'" . C A 1 7 ? 14.891 9.012 6.406 1.00 19.71 ? 7 C A "O4'" 1
1445
+ ATOM 135 C "C3'" . C A 1 7 ? 15.264 9.462 4.143 1.00 21.42 ? 7 C A "C3'" 1
1446
+ ATOM 136 O "O3'" . C A 1 7 ? 15.138 10.478 3.153 1.00 20.94 ? 7 C A "O3'" 1
1447
+ ATOM 137 C "C2'" . C A 1 7 ? 16.602 9.553 4.858 1.00 22.07 ? 7 C A "C2'" 1
1448
+ ATOM 138 O "O2'" . C A 1 7 ? 16.931 10.900 5.107 1.00 20.33 ? 7 C A "O2'" 1
1449
+ ATOM 139 C "C1'" . C A 1 7 ? 16.280 8.842 6.179 1.00 22.38 ? 7 C A "C1'" 1
1450
+ ATOM 140 N N1 . C A 1 7 ? 16.560 7.400 6.114 1.00 20.86 ? 7 C A N1 1
1451
+ ATOM 141 C C2 . C A 1 7 ? 17.869 6.963 6.311 1.00 21.87 ? 7 C A C2 1
1452
+ ATOM 142 O O2 . C A 1 7 ? 18.739 7.805 6.561 1.00 21.42 ? 7 C A O2 1
1453
+ ATOM 143 N N3 . C A 1 7 ? 18.150 5.640 6.217 1.00 20.89 ? 7 C A N3 1
1454
+ ATOM 144 C C4 . C A 1 7 ? 17.169 4.772 5.936 1.00 21.67 ? 7 C A C4 1
1455
+ ATOM 145 N N4 . C A 1 7 ? 17.480 3.477 5.838 1.00 23.13 ? 7 C A N4 1
1456
+ ATOM 146 C C5 . C A 1 7 ? 15.820 5.194 5.743 1.00 22.13 ? 7 C A C5 1
1457
+ ATOM 147 C C6 . C A 1 7 ? 15.562 6.505 5.843 1.00 22.74 ? 7 C A C6 1
1458
+ ATOM 148 P P . U A 1 8 ? 15.430 10.140 1.621 1.00 21.11 ? 8 U A P 1
1459
+ ATOM 149 O OP1 . U A 1 8 ? 14.853 11.252 0.822 1.00 22.87 ? 8 U A OP1 1
1460
+ ATOM 150 O OP2 . U A 1 8 ? 15.011 8.745 1.337 1.00 22.40 ? 8 U A OP2 1
1461
+ ATOM 151 O "O5'" . U A 1 8 ? 17.013 10.159 1.514 1.00 22.73 ? 8 U A "O5'" 1
1462
+ ATOM 152 C "C5'" . U A 1 8 ? 17.736 11.317 1.898 1.00 19.98 ? 8 U A "C5'" 1
1463
+ ATOM 153 C "C4'" . U A 1 8 ? 19.193 10.987 2.065 1.00 21.82 ? 8 U A "C4'" 1
1464
+ ATOM 154 O "O4'" . U A 1 8 ? 19.384 10.118 3.206 1.00 19.98 ? 8 U A "O4'" 1
1465
+ ATOM 155 C "C3'" . U A 1 8 ? 19.849 10.240 0.926 1.00 21.99 ? 8 U A "C3'" 1
1466
+ ATOM 156 O "O3'" . U A 1 8 ? 20.143 11.172 -0.096 1.00 24.55 ? 8 U A "O3'" 1
1467
+ ATOM 157 C "C2'" . U A 1 8 ? 21.086 9.677 1.621 1.00 20.51 ? 8 U A "C2'" 1
1468
+ ATOM 158 O "O2'" . U A 1 8 ? 22.062 10.678 1.856 1.00 18.61 ? 8 U A "O2'" 1
1469
+ ATOM 159 C "C1'" . U A 1 8 ? 20.488 9.260 2.967 1.00 19.52 ? 8 U A "C1'" 1
1470
+ ATOM 160 N N1 . U A 1 8 ? 20.002 7.872 2.995 1.00 19.76 ? 8 U A N1 1
1471
+ ATOM 161 C C2 . U A 1 8 ? 20.899 6.902 3.384 1.00 18.55 ? 8 U A C2 1
1472
+ ATOM 162 O O2 . U A 1 8 ? 22.036 7.168 3.711 1.00 21.07 ? 8 U A O2 1
1473
+ ATOM 163 N N3 . U A 1 8 ? 20.410 5.615 3.380 1.00 21.87 ? 8 U A N3 1
1474
+ ATOM 164 C C4 . U A 1 8 ? 19.129 5.218 3.036 1.00 24.03 ? 8 U A C4 1
1475
+ ATOM 165 O O4 . U A 1 8 ? 18.833 4.022 3.069 1.00 24.66 ? 8 U A O4 1
1476
+ ATOM 166 C C5 . U A 1 8 ? 18.261 6.284 2.655 1.00 21.26 ? 8 U A C5 1
1477
+ ATOM 167 C C6 . U A 1 8 ? 18.717 7.547 2.647 1.00 20.39 ? 8 U A C6 1
1478
+ ATOM 168 P P . G A 1 9 ? 20.582 10.660 -1.537 1.00 23.83 ? 9 G A P 1
1479
+ ATOM 169 O OP1 . G A 1 9 ? 20.810 11.853 -2.395 1.00 27.12 ? 9 G A OP1 1
1480
+ ATOM 170 O OP2 . G A 1 9 ? 19.696 9.572 -2.006 1.00 25.45 ? 9 G A OP2 1
1481
+ ATOM 171 O "O5'" . G A 1 9 ? 22.006 10.069 -1.214 1.00 28.24 ? 9 G A "O5'" 1
1482
+ ATOM 172 C "C5'" . G A 1 9 ? 22.528 9.068 -2.000 1.00 25.36 ? 9 G A "C5'" 1
1483
+ ATOM 173 C "C4'" . G A 1 9 ? 23.858 8.676 -1.468 1.00 21.24 ? 9 G A "C4'" 1
1484
+ ATOM 174 O "O4'" . G A 1 9 ? 23.737 8.287 -0.083 1.00 21.63 ? 9 G A "O4'" 1
1485
+ ATOM 175 C "C3'" . G A 1 9 ? 24.427 7.482 -2.176 1.00 21.26 ? 9 G A "C3'" 1
1486
+ ATOM 176 O "O3'" . G A 1 9 ? 25.039 7.936 -3.357 1.00 24.54 ? 9 G A "O3'" 1
1487
+ ATOM 177 C "C2'" . G A 1 9 ? 25.377 6.939 -1.132 1.00 18.54 ? 9 G A "C2'" 1
1488
+ ATOM 178 O "O2'" . G A 1 9 ? 26.554 7.718 -1.088 1.00 20.07 ? 9 G A "O2'" 1
1489
+ ATOM 179 C "C1'" . G A 1 9 ? 24.547 7.155 0.140 1.00 21.39 ? 9 G A "C1'" 1
1490
+ ATOM 180 N N9 . G A 1 9 ? 23.628 6.042 0.332 1.00 19.39 ? 9 G A N9 1
1491
+ ATOM 181 C C8 . G A 1 9 ? 22.257 6.057 0.229 1.00 19.43 ? 9 G A C8 1
1492
+ ATOM 182 N N7 . G A 1 9 ? 21.718 4.888 0.431 1.00 20.44 ? 9 G A N7 1
1493
+ ATOM 183 C C5 . G A 1 9 ? 22.801 4.060 0.696 1.00 20.92 ? 9 G A C5 1
1494
+ ATOM 184 C C6 . G A 1 9 ? 22.848 2.680 0.997 1.00 20.39 ? 9 G A C6 1
1495
+ ATOM 185 O O6 . G A 1 9 ? 21.911 1.885 1.105 1.00 21.33 ? 9 G A O6 1
1496
+ ATOM 186 N N1 . G A 1 9 ? 24.157 2.243 1.182 1.00 18.65 ? 9 G A N1 1
1497
+ ATOM 187 C C2 . G A 1 9 ? 25.272 3.036 1.093 1.00 18.66 ? 9 G A C2 1
1498
+ ATOM 188 N N2 . G A 1 9 ? 26.456 2.437 1.298 1.00 18.93 ? 9 G A N2 1
1499
+ ATOM 189 N N3 . G A 1 9 ? 25.235 4.325 0.824 1.00 19.63 ? 9 G A N3 1
1500
+ ATOM 190 C C4 . G A 1 9 ? 23.980 4.763 0.636 1.00 21.02 ? 9 G A C4 1
1501
+ ATOM 191 P P . C A 1 10 ? 24.959 7.027 -4.668 1.00 26.51 ? 10 C A P 1
1502
+ ATOM 192 O OP1 . C A 1 10 ? 25.548 7.810 -5.779 1.00 28.46 ? 10 C A OP1 1
1503
+ ATOM 193 O OP2 . C A 1 10 ? 23.578 6.490 -4.805 1.00 26.94 ? 10 C A OP2 1
1504
+ ATOM 194 O "O5'" . C A 1 10 ? 25.892 5.799 -4.288 1.00 27.08 ? 10 C A "O5'" 1
1505
+ ATOM 195 C "C5'" . C A 1 10 ? 27.261 6.010 -3.975 1.00 25.48 ? 10 C A "C5'" 1
1506
+ ATOM 196 C "C4'" . C A 1 10 ? 27.938 4.704 -3.626 1.00 25.69 ? 10 C A "C4'" 1
1507
+ ATOM 197 O "O4'" . C A 1 10 ? 27.405 4.224 -2.363 1.00 24.62 ? 10 C A "O4'" 1
1508
+ ATOM 198 C "C3'" . C A 1 10 ? 27.679 3.543 -4.575 1.00 27.02 ? 10 C A "C3'" 1
1509
+ ATOM 199 O "O3'" . C A 1 10 ? 28.463 3.559 -5.751 1.00 29.98 ? 10 C A "O3'" 1
1510
+ ATOM 200 C "C2'" . C A 1 10 ? 27.985 2.348 -3.690 1.00 24.36 ? 10 C A "C2'" 1
1511
+ ATOM 201 O "O2'" . C A 1 10 ? 29.382 2.188 -3.512 1.00 27.38 ? 10 C A "O2'" 1
1512
+ ATOM 202 C "C1'" . C A 1 10 ? 27.367 2.805 -2.370 1.00 23.31 ? 10 C A "C1'" 1
1513
+ ATOM 203 N N1 . C A 1 10 ? 25.968 2.346 -2.250 1.00 22.73 ? 10 C A N1 1
1514
+ ATOM 204 C C2 . C A 1 10 ? 25.758 1.005 -1.906 1.00 21.84 ? 10 C A C2 1
1515
+ ATOM 205 O O2 . C A 1 10 ? 26.751 0.287 -1.677 1.00 22.69 ? 10 C A O2 1
1516
+ ATOM 206 N N3 . C A 1 10 ? 24.493 0.528 -1.829 1.00 22.16 ? 10 C A N3 1
1517
+ ATOM 207 C C4 . C A 1 10 ? 23.455 1.338 -2.079 1.00 23.28 ? 10 C A C4 1
1518
+ ATOM 208 N N4 . C A 1 10 ? 22.225 0.822 -2.000 1.00 23.54 ? 10 C A N4 1
1519
+ ATOM 209 C C5 . C A 1 10 ? 23.639 2.713 -2.420 1.00 22.17 ? 10 C A C5 1
1520
+ ATOM 210 C C6 . C A 1 10 ? 24.903 3.173 -2.488 1.00 21.31 ? 10 C A C6 1
1521
+ ATOM 211 P P . G A 1 11 ? 27.938 2.768 -7.052 1.00 33.39 ? 11 G A P 1
1522
+ ATOM 212 O OP1 . G A 1 11 ? 28.918 3.079 -8.124 1.00 35.11 ? 11 G A OP1 1
1523
+ ATOM 213 O OP2 . G A 1 11 ? 26.500 3.047 -7.271 1.00 33.57 ? 11 G A OP2 1
1524
+ ATOM 214 O "O5'" . G A 1 11 ? 28.057 1.225 -6.663 1.00 32.53 ? 11 G A "O5'" 1
1525
+ ATOM 215 C "C5'" . G A 1 11 ? 29.336 0.662 -6.514 1.00 30.30 ? 11 G A "C5'" 1
1526
+ ATOM 216 C "C4'" . G A 1 11 ? 29.310 -0.806 -6.106 1.00 29.12 ? 11 G A "C4'" 1
1527
+ ATOM 217 O "O4'" . G A 1 11 ? 28.568 -0.960 -4.850 1.00 26.61 ? 11 G A "O4'" 1
1528
+ ATOM 218 C "C3'" . G A 1 11 ? 28.604 -1.811 -7.021 1.00 27.09 ? 11 G A "C3'" 1
1529
+ ATOM 219 O "O3'" . G A 1 11 ? 29.344 -2.172 -8.187 1.00 28.18 ? 11 G A "O3'" 1
1530
+ ATOM 220 C "C2'" . G A 1 11 ? 28.423 -2.984 -6.071 1.00 25.06 ? 11 G A "C2'" 1
1531
+ ATOM 221 O "O2'" . G A 1 11 ? 29.679 -3.575 -5.805 1.00 26.12 ? 11 G A "O2'" 1
1532
+ ATOM 222 C "C1'" . G A 1 11 ? 28.019 -2.273 -4.789 1.00 26.65 ? 11 G A "C1'" 1
1533
+ ATOM 223 N N9 . G A 1 11 ? 26.566 -2.274 -4.678 1.00 22.53 ? 11 G A N9 1
1534
+ ATOM 224 C C8 . G A 1 11 ? 25.674 -1.244 -4.822 1.00 20.80 ? 11 G A C8 1
1535
+ ATOM 225 N N7 . G A 1 11 ? 24.427 -1.629 -4.700 1.00 22.39 ? 11 G A N7 1
1536
+ ATOM 226 C C5 . G A 1 11 ? 24.507 -2.994 -4.453 1.00 20.44 ? 11 G A C5 1
1537
+ ATOM 227 C C6 . G A 1 11 ? 23.484 -3.958 -4.231 1.00 21.53 ? 11 G A C6 1
1538
+ ATOM 228 O O6 . G A 1 11 ? 22.263 -3.796 -4.202 1.00 20.78 ? 11 G A O6 1
1539
+ ATOM 229 N N1 . G A 1 11 ? 24.015 -5.232 -4.027 1.00 20.59 ? 11 G A N1 1
1540
+ ATOM 230 C C2 . G A 1 11 ? 25.349 -5.540 -4.032 1.00 20.40 ? 11 G A C2 1
1541
+ ATOM 231 N N2 . G A 1 11 ? 25.662 -6.840 -3.825 1.00 20.43 ? 11 G A N2 1
1542
+ ATOM 232 N N3 . G A 1 11 ? 26.309 -4.648 -4.229 1.00 20.66 ? 11 G A N3 1
1543
+ ATOM 233 C C4 . G A 1 11 ? 25.817 -3.406 -4.431 1.00 21.02 ? 11 G A C4 1
1544
+ ATOM 234 P P . A A 1 12 ? 28.580 -2.768 -9.480 1.00 29.84 ? 12 A A P 1
1545
+ ATOM 235 O OP1 . A A 1 12 ? 29.642 -2.987 -10.504 1.00 31.75 ? 12 A A OP1 1
1546
+ ATOM 236 O OP2 . A A 1 12 ? 27.386 -1.971 -9.846 1.00 29.34 ? 12 A A OP2 1
1547
+ ATOM 237 O "O5'" . A A 1 12 ? 28.052 -4.199 -9.024 1.00 28.18 ? 12 A A "O5'" 1
1548
+ ATOM 238 C "C5'" . A A 1 12 ? 28.975 -5.247 -8.736 1.00 26.04 ? 12 A A "C5'" 1
1549
+ ATOM 239 C "C4'" . A A 1 12 ? 28.249 -6.558 -8.580 1.00 23.11 ? 12 A A "C4'" 1
1550
+ ATOM 240 O "O4'" . A A 1 12 ? 27.450 -6.549 -7.372 1.00 24.29 ? 12 A A "O4'" 1
1551
+ ATOM 241 C "C3'" . A A 1 12 ? 27.235 -6.898 -9.656 1.00 23.93 ? 12 A A "C3'" 1
1552
+ ATOM 242 O "O3'" . A A 1 12 ? 27.871 -7.360 -10.841 1.00 25.44 ? 12 A A "O3'" 1
1553
+ ATOM 243 C "C2'" . A A 1 12 ? 26.427 -7.980 -8.953 1.00 23.34 ? 12 A A "C2'" 1
1554
+ ATOM 244 O "O2'" . A A 1 12 ? 27.127 -9.211 -8.842 1.00 24.20 ? 12 A A "O2'" 1
1555
+ ATOM 245 C "C1'" . A A 1 12 ? 26.308 -7.378 -7.554 1.00 23.90 ? 12 A A "C1'" 1
1556
+ ATOM 246 N N9 . A A 1 12 ? 25.121 -6.539 -7.417 1.00 22.62 ? 12 A A N9 1
1557
+ ATOM 247 C C8 . A A 1 12 ? 25.077 -5.171 -7.437 1.00 20.93 ? 12 A A C8 1
1558
+ ATOM 248 N N7 . A A 1 12 ? 23.873 -4.679 -7.290 1.00 22.59 ? 12 A A N7 1
1559
+ ATOM 249 C C5 . A A 1 12 ? 23.070 -5.801 -7.158 1.00 21.21 ? 12 A A C5 1
1560
+ ATOM 250 C C6 . A A 1 12 ? 21.694 -5.949 -6.966 1.00 22.73 ? 12 A A C6 1
1561
+ ATOM 251 N N6 . A A 1 12 ? 20.847 -4.919 -6.886 1.00 22.69 ? 12 A A N6 1
1562
+ ATOM 252 N N1 . A A 1 12 ? 21.204 -7.202 -6.862 1.00 22.65 ? 12 A A N1 1
1563
+ ATOM 253 C C2 . A A 1 12 ? 22.056 -8.232 -6.951 1.00 22.42 ? 12 A A C2 1
1564
+ ATOM 254 N N3 . A A 1 12 ? 23.377 -8.219 -7.135 1.00 25.27 ? 12 A A N3 1
1565
+ ATOM 255 C C4 . A A 1 12 ? 23.825 -6.954 -7.233 1.00 22.43 ? 12 A A C4 1
1566
+ ATOM 256 P P . G A 1 13 ? 27.202 -7.071 -12.273 1.00 25.96 ? 13 G A P 1
1567
+ ATOM 257 O OP1 . G A 1 13 ? 28.128 -7.669 -13.272 1.00 28.98 ? 13 G A OP1 1
1568
+ ATOM 258 O OP2 . G A 1 13 ? 26.798 -5.652 -12.417 1.00 25.55 ? 13 G A OP2 1
1569
+ ATOM 259 O "O5'" . G A 1 13 ? 25.870 -7.930 -12.234 1.00 25.10 ? 13 G A "O5'" 1
1570
+ ATOM 260 C "C5'" . G A 1 13 ? 25.948 -9.334 -12.132 1.00 24.50 ? 13 G A "C5'" 1
1571
+ ATOM 261 C "C4'" . G A 1 13 ? 24.576 -9.927 -11.973 1.00 25.06 ? 13 G A "C4'" 1
1572
+ ATOM 262 O "O4'" . G A 1 13 ? 24.002 -9.464 -10.719 1.00 25.27 ? 13 G A "O4'" 1
1573
+ ATOM 263 C "C3'" . G A 1 13 ? 23.545 -9.490 -13.005 1.00 24.26 ? 13 G A "C3'" 1
1574
+ ATOM 264 O "O3'" . G A 1 13 ? 23.665 -10.190 -14.229 1.00 25.65 ? 13 G A "O3'" 1
1575
+ ATOM 265 C "C2'" . G A 1 13 ? 22.247 -9.796 -12.279 1.00 21.12 ? 13 G A "C2'" 1
1576
+ ATOM 266 O "O2'" . G A 1 13 ? 21.989 -11.191 -12.267 1.00 24.54 ? 13 G A "O2'" 1
1577
+ ATOM 267 C "C1'" . G A 1 13 ? 22.596 -9.349 -10.864 1.00 24.18 ? 13 G A "C1'" 1
1578
+ ATOM 268 N N9 . G A 1 13 ? 22.195 -7.966 -10.651 1.00 20.41 ? 13 G A N9 1
1579
+ ATOM 269 C C8 . G A 1 13 ? 22.965 -6.831 -10.729 1.00 20.55 ? 13 G A C8 1
1580
+ ATOM 270 N N7 . G A 1 13 ? 22.282 -5.738 -10.514 1.00 22.73 ? 13 G A N7 1
1581
+ ATOM 271 C C5 . G A 1 13 ? 20.991 -6.184 -10.275 1.00 20.78 ? 13 G A C5 1
1582
+ ATOM 272 C C6 . G A 1 13 ? 19.796 -5.462 -9.988 1.00 22.14 ? 13 G A C6 1
1583
+ ATOM 273 O O6 . G A 1 13 ? 19.643 -4.244 -9.887 1.00 23.19 ? 13 G A O6 1
1584
+ ATOM 274 N N1 . G A 1 13 ? 18.711 -6.317 -9.822 1.00 21.19 ? 13 G A N1 1
1585
+ ATOM 275 C C2 . G A 1 13 ? 18.760 -7.685 -9.928 1.00 20.45 ? 13 G A C2 1
1586
+ ATOM 276 N N2 . G A 1 13 ? 17.604 -8.347 -9.746 1.00 22.45 ? 13 G A N2 1
1587
+ ATOM 277 N N3 . G A 1 13 ? 19.863 -8.362 -10.195 1.00 20.35 ? 13 G A N3 1
1588
+ ATOM 278 C C4 . G A 1 13 ? 20.926 -7.556 -10.354 1.00 21.88 ? 13 G A C4 1
1589
+ ATOM 279 P P . C A 1 14 ? 23.214 -9.484 -15.599 1.00 25.57 ? 14 C A P 1
1590
+ ATOM 280 O OP1 . C A 1 14 ? 23.579 -10.384 -16.730 1.00 26.19 ? 14 C A OP1 1
1591
+ ATOM 281 O OP2 . C A 1 14 ? 23.695 -8.075 -15.591 1.00 25.27 ? 14 C A OP2 1
1592
+ ATOM 282 O "O5'" . C A 1 14 ? 21.629 -9.442 -15.536 1.00 25.38 ? 14 C A "O5'" 1
1593
+ ATOM 283 C "C5'" . C A 1 14 ? 20.908 -10.648 -15.683 1.00 22.76 ? 14 C A "C5'" 1
1594
+ ATOM 284 C "C4'" . C A 1 14 ? 19.449 -10.452 -15.371 1.00 22.65 ? 14 C A "C4'" 1
1595
+ ATOM 285 O "O4'" . C A 1 14 ? 19.314 -9.881 -14.042 1.00 22.01 ? 14 C A "O4'" 1
1596
+ ATOM 286 C "C3'" . C A 1 14 ? 18.702 -9.465 -16.252 1.00 23.12 ? 14 C A "C3'" 1
1597
+ ATOM 287 O "O3'" . C A 1 14 ? 18.327 -10.053 -17.485 1.00 24.74 ? 14 C A "O3'" 1
1598
+ ATOM 288 C "C2'" . C A 1 14 ? 17.512 -9.125 -15.370 1.00 20.22 ? 14 C A "C2'" 1
1599
+ ATOM 289 O "O2'" . C A 1 14 ? 16.610 -10.215 -15.309 1.00 22.07 ? 14 C A "O2'" 1
1600
+ ATOM 290 C "C1'" . C A 1 14 ? 18.178 -9.032 -14.003 1.00 20.39 ? 14 C A "C1'" 1
1601
+ ATOM 291 N N1 . C A 1 14 ? 18.602 -7.652 -13.733 1.00 19.84 ? 14 C A N1 1
1602
+ ATOM 292 C C2 . C A 1 14 ? 17.630 -6.736 -13.318 1.00 19.06 ? 14 C A C2 1
1603
+ ATOM 293 O O2 . C A 1 14 ? 16.461 -7.131 -13.180 1.00 20.75 ? 14 C A O2 1
1604
+ ATOM 294 N N3 . C A 1 14 ? 17.984 -5.449 -13.087 1.00 20.57 ? 14 C A N3 1
1605
+ ATOM 295 C C4 . C A 1 14 ? 19.250 -5.066 -13.263 1.00 20.45 ? 14 C A C4 1
1606
+ ATOM 296 N N4 . C A 1 14 ? 19.554 -3.773 -13.033 1.00 21.20 ? 14 C A N4 1
1607
+ ATOM 297 C C5 . C A 1 14 ? 20.264 -5.980 -13.684 1.00 20.12 ? 14 C A C5 1
1608
+ ATOM 298 C C6 . C A 1 14 ? 19.900 -7.256 -13.900 1.00 19.91 ? 14 C A C6 1
1609
+ ATOM 299 P P . A A 1 15 ? 18.121 -9.128 -18.788 1.00 24.49 ? 15 A A P 1
1610
+ ATOM 300 O OP1 . A A 1 15 ? 17.909 -10.040 -19.948 1.00 29.37 ? 15 A A OP1 1
1611
+ ATOM 301 O OP2 . A A 1 15 ? 19.182 -8.094 -18.854 1.00 28.72 ? 15 A A OP2 1
1612
+ ATOM 302 O "O5'" . A A 1 15 ? 16.738 -8.396 -18.527 1.00 24.62 ? 15 A A "O5'" 1
1613
+ ATOM 303 C "C5'" . A A 1 15 ? 15.558 -9.144 -18.308 1.00 26.25 ? 15 A A "C5'" 1
1614
+ ATOM 304 C "C4'" . A A 1 15 ? 14.459 -8.233 -17.846 1.00 26.83 ? 15 A A "C4'" 1
1615
+ ATOM 305 O "O4'" . A A 1 15 ? 14.854 -7.637 -16.583 1.00 27.01 ? 15 A A "O4'" 1
1616
+ ATOM 306 C "C3'" . A A 1 15 ? 14.198 -7.039 -18.748 1.00 26.82 ? 15 A A "C3'" 1
1617
+ ATOM 307 O "O3'" . A A 1 15 ? 13.341 -7.383 -19.836 1.00 29.18 ? 15 A A "O3'" 1
1618
+ ATOM 308 C "C2'" . A A 1 15 ? 13.553 -6.061 -17.778 1.00 26.39 ? 15 A A "C2'" 1
1619
+ ATOM 309 O "O2'" . A A 1 15 ? 12.217 -6.419 -17.491 1.00 28.63 ? 15 A A "O2'" 1
1620
+ ATOM 310 C "C1'" . A A 1 15 ? 14.380 -6.306 -16.517 1.00 25.32 ? 15 A A "C1'" 1
1621
+ ATOM 311 N N9 . A A 1 15 ? 15.528 -5.415 -16.381 1.00 22.19 ? 15 A A N9 1
1622
+ ATOM 312 C C8 . A A 1 15 ? 16.854 -5.680 -16.600 1.00 20.99 ? 15 A A C8 1
1623
+ ATOM 313 N N7 . A A 1 15 ? 17.645 -4.668 -16.343 1.00 19.67 ? 15 A A N7 1
1624
+ ATOM 314 C C5 . A A 1 15 ? 16.776 -3.663 -15.928 1.00 21.91 ? 15 A A C5 1
1625
+ ATOM 315 C C6 . A A 1 15 ? 16.984 -2.326 -15.490 1.00 20.10 ? 15 A A C6 1
1626
+ ATOM 316 N N6 . A A 1 15 ? 18.186 -1.745 -15.379 1.00 22.13 ? 15 A A N6 1
1627
+ ATOM 317 N N1 . A A 1 15 ? 15.892 -1.603 -15.156 1.00 21.34 ? 15 A A N1 1
1628
+ ATOM 318 C C2 . A A 1 15 ? 14.684 -2.179 -15.251 1.00 21.34 ? 15 A A C2 1
1629
+ ATOM 319 N N3 . A A 1 15 ? 14.367 -3.415 -15.636 1.00 25.14 ? 15 A A N3 1
1630
+ ATOM 320 C C4 . A A 1 15 ? 15.470 -4.109 -15.962 1.00 21.48 ? 15 A A C4 1
1631
+ HETATM 321 P P . 5BU A 1 16 ? 13.389 -6.518 -21.199 1.00 28.60 ? 16 5BU A P 1
1632
+ HETATM 322 O OP1 . 5BU A 1 16 ? 12.542 -7.215 -22.194 1.00 32.87 ? 16 5BU A OP1 1
1633
+ HETATM 323 O OP2 . 5BU A 1 16 ? 14.784 -6.171 -21.544 1.00 28.58 ? 16 5BU A OP2 1
1634
+ HETATM 324 O "O5'" . 5BU A 1 16 ? 12.666 -5.161 -20.812 1.00 31.70 ? 16 5BU A "O5'" 1
1635
+ HETATM 325 C "C5'" . 5BU A 1 16 ? 11.299 -5.155 -20.462 1.00 32.13 ? 16 5BU A "C5'" 1
1636
+ HETATM 326 C "C4'" . 5BU A 1 16 ? 10.901 -3.783 -20.007 1.00 33.64 ? 16 5BU A "C4'" 1
1637
+ HETATM 327 O "O4'" . 5BU A 1 16 ? 11.699 -3.442 -18.842 1.00 34.51 ? 16 5BU A "O4'" 1
1638
+ HETATM 328 C "C3'" . 5BU A 1 16 ? 11.208 -2.665 -20.991 1.00 35.16 ? 16 5BU A "C3'" 1
1639
+ HETATM 329 O "O3'" . 5BU A 1 16 ? 10.199 -2.537 -21.984 1.00 38.18 ? 16 5BU A "O3'" 1
1640
+ HETATM 330 C "C2'" . 5BU A 1 16 ? 11.282 -1.456 -20.070 1.00 34.49 ? 16 5BU A "C2'" 1
1641
+ HETATM 331 O "O2'" . 5BU A 1 16 ? 9.994 -1.037 -19.669 1.00 37.73 ? 16 5BU A "O2'" 1
1642
+ HETATM 332 C "C1'" . 5BU A 1 16 ? 11.987 -2.059 -18.855 1.00 32.62 ? 16 5BU A "C1'" 1
1643
+ HETATM 333 N N1 . 5BU A 1 16 ? 13.447 -1.874 -18.852 1.00 29.21 ? 16 5BU A N1 1
1644
+ HETATM 334 C C2 . 5BU A 1 16 ? 13.894 -0.668 -18.375 1.00 28.60 ? 16 5BU A C2 1
1645
+ HETATM 335 O O2 . 5BU A 1 16 ? 13.121 0.222 -18.024 1.00 30.23 ? 16 5BU A O2 1
1646
+ HETATM 336 N N3 . 5BU A 1 16 ? 15.258 -0.528 -18.319 1.00 25.77 ? 16 5BU A N3 1
1647
+ HETATM 337 C C4 . 5BU A 1 16 ? 16.219 -1.464 -18.693 1.00 25.71 ? 16 5BU A C4 1
1648
+ HETATM 338 O O4 . 5BU A 1 16 ? 17.407 -1.184 -18.535 1.00 25.29 ? 16 5BU A O4 1
1649
+ HETATM 339 C C5 . 5BU A 1 16 ? 15.689 -2.706 -19.218 1.00 26.25 ? 16 5BU A C5 1
1650
+ HETATM 340 C C6 . 5BU A 1 16 ? 14.344 -2.863 -19.280 1.00 25.76 ? 16 5BU A C6 1
1651
+ HETATM 341 BR BR . 5BU A 1 16 ? 16.725 -3.929 -19.747 1.00 29.90 ? 16 5BU A BR 1
1652
+ ATOM 342 P P . C A 1 17 ? 10.597 -2.044 -23.465 1.00 40.48 ? 17 C A P 1
1653
+ ATOM 343 O OP1 . C A 1 17 ? 9.356 -2.114 -24.288 1.00 41.35 ? 17 C A OP1 1
1654
+ ATOM 344 O OP2 . C A 1 17 ? 11.817 -2.768 -23.913 1.00 40.87 ? 17 C A OP2 1
1655
+ ATOM 345 O "O5'" . C A 1 17 ? 10.986 -0.520 -23.266 1.00 38.78 ? 17 C A "O5'" 1
1656
+ ATOM 346 C "C5'" . C A 1 17 ? 10.009 0.415 -22.849 1.00 38.23 ? 17 C A "C5'" 1
1657
+ ATOM 347 C "C4'" . C A 1 17 ? 10.671 1.687 -22.399 1.00 36.79 ? 17 C A "C4'" 1
1658
+ ATOM 348 O "O4'" . C A 1 17 ? 11.555 1.395 -21.286 1.00 34.56 ? 17 C A "O4'" 1
1659
+ ATOM 349 C "C3'" . C A 1 17 ? 11.585 2.319 -23.431 1.00 36.67 ? 17 C A "C3'" 1
1660
+ ATOM 350 O "O3'" . C A 1 17 ? 10.836 3.098 -24.348 1.00 38.95 ? 17 C A "O3'" 1
1661
+ ATOM 351 C "C2'" . C A 1 17 ? 12.522 3.149 -22.565 1.00 34.98 ? 17 C A "C2'" 1
1662
+ ATOM 352 O "O2'" . C A 1 17 ? 11.983 4.384 -22.135 1.00 37.30 ? 17 C A "O2'" 1
1663
+ ATOM 353 C "C1'" . C A 1 17 ? 12.696 2.231 -21.357 1.00 32.94 ? 17 C A "C1'" 1
1664
+ ATOM 354 N N1 . C A 1 17 ? 13.902 1.402 -21.495 1.00 31.45 ? 17 C A N1 1
1665
+ ATOM 355 C C2 . C A 1 17 ? 15.111 1.973 -21.149 1.00 28.56 ? 17 C A C2 1
1666
+ ATOM 356 O O2 . C A 1 17 ? 15.109 3.141 -20.730 1.00 30.68 ? 17 C A O2 1
1667
+ ATOM 357 N N3 . C A 1 17 ? 16.254 1.253 -21.275 1.00 31.06 ? 17 C A N3 1
1668
+ ATOM 358 C C4 . C A 1 17 ? 16.200 0.000 -21.730 1.00 29.72 ? 17 C A C4 1
1669
+ ATOM 359 N N4 . C A 1 17 ? 17.348 -0.678 -21.840 1.00 28.29 ? 17 C A N4 1
1670
+ ATOM 360 C C5 . C A 1 17 ? 14.967 -0.615 -22.093 1.00 29.46 ? 17 C A C5 1
1671
+ ATOM 361 C C6 . C A 1 17 ? 13.849 0.117 -21.959 1.00 29.76 ? 17 C A C6 1
1672
+ ATOM 362 P P . C A 1 18 ? 11.364 3.275 -25.852 1.00 39.61 ? 18 C A P 1
1673
+ ATOM 363 O OP1 . C A 1 18 ? 10.250 3.882 -26.633 1.00 42.47 ? 18 C A OP1 1
1674
+ ATOM 364 O OP2 . C A 1 18 ? 11.957 1.987 -26.297 1.00 40.43 ? 18 C A OP2 1
1675
+ ATOM 365 O "O5'" . C A 1 18 ? 12.519 4.355 -25.696 1.00 39.13 ? 18 C A "O5'" 1
1676
+ ATOM 366 C "C5'" . C A 1 18 ? 12.203 5.645 -25.199 1.00 39.26 ? 18 C A "C5'" 1
1677
+ ATOM 367 C "C4'" . C A 1 18 ? 13.443 6.476 -25.048 1.00 38.30 ? 18 C A "C4'" 1
1678
+ ATOM 368 O "O4'" . C A 1 18 ? 14.241 5.965 -23.946 1.00 37.36 ? 18 C A "O4'" 1
1679
+ ATOM 369 C "C3'" . C A 1 18 ? 14.380 6.423 -26.241 1.00 39.61 ? 18 C A "C3'" 1
1680
+ ATOM 370 O "O3'" . C A 1 18 ? 13.968 7.353 -27.242 1.00 40.41 ? 18 C A "O3'" 1
1681
+ ATOM 371 C "C2'" . C A 1 18 ? 15.711 6.816 -25.610 1.00 38.13 ? 18 C A "C2'" 1
1682
+ ATOM 372 O "O2'" . C A 1 18 ? 15.806 8.213 -25.429 1.00 39.82 ? 18 C A "O2'" 1
1683
+ ATOM 373 C "C1'" . C A 1 18 ? 15.614 6.150 -24.234 1.00 36.47 ? 18 C A "C1'" 1
1684
+ ATOM 374 N N1 . C A 1 18 ? 16.324 4.865 -24.115 1.00 35.13 ? 18 C A N1 1
1685
+ ATOM 375 C C2 . C A 1 18 ? 17.588 4.861 -23.517 1.00 34.10 ? 18 C A C2 1
1686
+ ATOM 376 O O2 . C A 1 18 ? 18.053 5.927 -23.096 1.00 35.49 ? 18 C A O2 1
1687
+ ATOM 377 N N3 . C A 1 18 ? 18.271 3.697 -23.411 1.00 33.81 ? 18 C A N3 1
1688
+ ATOM 378 C C4 . C A 1 18 ? 17.737 2.567 -23.878 1.00 33.71 ? 18 C A C4 1
1689
+ ATOM 379 N N4 . C A 1 18 ? 18.449 1.443 -23.753 1.00 32.98 ? 18 C A N4 1
1690
+ ATOM 380 C C5 . C A 1 18 ? 16.448 2.539 -24.491 1.00 33.22 ? 18 C A C5 1
1691
+ ATOM 381 C C6 . C A 1 18 ? 15.780 3.701 -24.585 1.00 33.68 ? 18 C A C6 1
1692
+ ATOM 382 P P . C A 1 19 ? 13.890 6.889 -28.777 1.00 45.37 ? 19 C A P 1
1693
+ ATOM 383 O OP1 . C A 1 19 ? 12.909 5.781 -28.895 1.00 27.02 ? 19 C A OP1 1
1694
+ ATOM 384 O OP2 . C A 1 19 ? 15.285 6.669 -29.208 1.00 27.02 ? 19 C A OP2 1
1695
+ ATOM 385 O "O5'" . C A 1 19 ? 13.803 7.981 -29.754 1.00 28.55 ? 19 C A "O5'" 1
1696
+ ATOM 386 C "C5'" . C A 1 19 ? 13.455 7.871 -31.131 1.00 28.55 ? 19 C A "C5'" 1
1697
+ ATOM 387 C "C4'" . C A 1 19 ? 14.462 8.606 -31.983 1.00 28.55 ? 19 C A "C4'" 1
1698
+ ATOM 388 O "O4'" . C A 1 19 ? 15.784 8.056 -31.741 1.00 28.55 ? 19 C A "O4'" 1
1699
+ ATOM 389 C "C3'" . C A 1 19 ? 14.274 8.456 -33.484 1.00 28.55 ? 19 C A "C3'" 1
1700
+ ATOM 390 O "O3'" . C A 1 19 ? 13.231 9.279 -34.018 1.00 28.55 ? 19 C A "O3'" 1
1701
+ ATOM 391 C "C2'" . C A 1 19 ? 15.671 8.754 -34.009 1.00 28.55 ? 19 C A "C2'" 1
1702
+ ATOM 392 O "O2'" . C A 1 19 ? 15.961 10.137 -34.036 1.00 28.55 ? 19 C A "O2'" 1
1703
+ ATOM 393 C "C1'" . C A 1 19 ? 16.537 8.072 -32.947 1.00 28.55 ? 19 C A "C1'" 1
1704
+ ATOM 394 N N1 . C A 1 19 ? 16.901 6.684 -33.301 1.00 28.55 ? 19 C A N1 1
1705
+ ATOM 395 C C2 . C A 1 19 ? 18.121 6.449 -33.996 1.00 28.55 ? 19 C A C2 1
1706
+ ATOM 396 O O2 . C A 1 19 ? 18.855 7.409 -34.286 1.00 28.55 ? 19 C A O2 1
1707
+ ATOM 397 N N3 . C A 1 19 ? 18.451 5.167 -34.327 1.00 28.55 ? 19 C A N3 1
1708
+ ATOM 398 C C4 . C A 1 19 ? 17.633 4.150 -34.000 1.00 28.55 ? 19 C A C4 1
1709
+ ATOM 399 N N4 . C A 1 19 ? 18.002 2.915 -34.348 1.00 28.55 ? 19 C A N4 1
1710
+ ATOM 400 C C5 . C A 1 19 ? 16.397 4.360 -33.298 1.00 28.55 ? 19 C A C5 1
1711
+ ATOM 401 C C6 . C A 1 19 ? 16.076 5.631 -32.973 1.00 28.55 ? 19 C A C6 1
1712
+ HETATM 402 O O . HOH B 2 . ? 24.062 -9.199 -3.671 1.00 27.25 ? 20 HOH A O 1
1713
+ HETATM 403 O O . HOH B 2 . ? 12.498 12.406 2.011 1.00 30.74 ? 21 HOH A O 1
1714
+ HETATM 404 O O . HOH B 2 . ? 27.822 9.506 -2.588 1.00 32.69 ? 22 HOH A O 1
1715
+ HETATM 405 O O . HOH B 2 . ? 19.906 -2.158 -18.909 1.00 35.05 ? 23 HOH A O 1
1716
+ HETATM 406 O O . HOH B 2 . ? 25.812 -11.447 -8.887 1.00 32.72 ? 24 HOH A O 1
1717
+ HETATM 407 O O . HOH B 2 . ? 30.741 -7.981 -12.039 1.00 36.31 ? 25 HOH A O 1
1718
+ HETATM 408 O O . HOH B 2 . ? 14.457 6.008 2.510 1.00 37.01 ? 26 HOH A O 1
1719
+ HETATM 409 O O . HOH B 2 . ? 16.568 2.972 2.364 1.00 36.55 ? 27 HOH A O 1
1720
+ HETATM 410 O O . HOH B 2 . ? 26.233 -7.732 -16.759 1.00 33.38 ? 28 HOH A O 1
1721
+ HETATM 411 O O . HOH B 2 . ? 19.096 0.295 11.014 1.00 36.51 ? 29 HOH A O 1
1722
+ HETATM 412 O O . HOH B 2 . ? 17.694 -1.080 -25.122 1.00 42.98 ? 30 HOH A O 1
1723
+ HETATM 413 O O . HOH B 2 . ? 17.041 0.224 7.818 1.00 35.84 ? 31 HOH A O 1
1724
+ HETATM 414 O O . HOH B 2 . ? 14.024 -0.292 7.330 1.00 39.56 ? 32 HOH A O 1
1725
+ HETATM 415 O O . HOH B 2 . ? 22.155 -2.956 -13.616 1.00 35.26 ? 33 HOH A O 1
1726
+ HETATM 416 O O . HOH B 2 . ? 19.166 3.785 -0.400 1.00 35.01 ? 34 HOH A O 1
1727
+ HETATM 417 O O . HOH B 2 . ? 19.906 -5.476 -17.521 1.00 42.25 ? 35 HOH A O 1
1728
+ HETATM 418 O O . HOH B 2 . ? 16.825 -1.370 9.942 1.00 37.33 ? 36 HOH A O 1
1729
+ HETATM 419 O O . HOH B 2 . ? 20.183 12.608 -4.975 1.00 39.19 ? 37 HOH A O 1
1730
+ HETATM 420 O O . HOH B 2 . ? 21.662 -0.731 -4.816 1.00 42.38 ? 38 HOH A O 1
1731
+ HETATM 421 O O . HOH B 2 . ? 9.575 4.989 11.579 1.00 40.29 ? 39 HOH A O 1
1732
+ HETATM 422 O O . HOH B 2 . ? 20.100 -2.526 -6.683 1.00 35.23 ? 40 HOH A O 1
1733
+ HETATM 423 O O . HOH B 2 . ? 11.866 -4.278 -15.354 1.00 42.39 ? 41 HOH A O 1
1734
+ HETATM 424 O O . HOH B 2 . ? 13.098 3.187 4.558 1.00 44.97 ? 42 HOH A O 1
1735
+ HETATM 425 O O . HOH B 2 . ? 9.860 9.576 7.163 1.00 43.45 ? 43 HOH A O 1
1736
+ HETATM 426 O O . HOH B 2 . ? 22.541 -2.323 -7.784 1.00 39.89 ? 44 HOH A O 1
1737
+ HETATM 427 O O . HOH B 2 . ? 8.089 8.566 5.370 1.00 41.70 ? 45 HOH A O 1
1738
+ HETATM 428 O O . HOH B 2 . ? 23.995 -5.750 -14.268 1.00 40.69 ? 46 HOH A O 1
1739
+ HETATM 429 O O . HOH B 2 . ? 7.158 2.573 9.450 1.00 41.30 ? 47 HOH A O 1
1740
+ HETATM 430 O O . HOH B 2 . ? 11.238 -0.642 -27.500 1.00 46.24 ? 48 HOH A O 1
1741
+ HETATM 431 O O . HOH B 2 . ? 15.452 1.622 4.802 1.00 39.76 ? 49 HOH A O 1
1742
+ HETATM 432 O O . HOH B 2 . ? 16.660 7.250 -0.382 1.00 39.51 ? 50 HOH A O 1
1743
+ HETATM 433 O O . HOH B 2 . ? 20.036 2.673 -2.911 1.00 41.40 ? 51 HOH A O 1
1744
+ HETATM 434 O O . HOH B 2 . ? 8.436 3.450 3.092 1.00 47.90 ? 52 HOH A O 1
1745
+ HETATM 435 O O . HOH B 2 . ? 14.722 -3.742 -23.169 1.00 40.49 ? 53 HOH A O 1
1746
+ HETATM 436 O O . HOH B 2 . ? 19.154 7.303 -0.940 1.00 38.72 ? 54 HOH A O 1
1747
+ HETATM 437 O O . HOH B 2 . ? 17.457 -3.150 -23.553 1.00 45.01 ? 55 HOH A O 1
1748
+ HETATM 438 O O . HOH B 2 . ? 24.859 -4.302 -11.145 1.00 40.99 ? 56 HOH A O 1
1749
+ HETATM 439 O O . HOH B 2 . ? 12.037 8.323 1.135 1.00 46.30 ? 57 HOH A O 1
1750
+ #
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