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- structures/1bau.cif +0 -0
- structures/1bmv.cif +0 -0
- structures/1efw.cif +0 -0
- structures/1kfo.cif +1750 -0
- structures/1l9a.cif +0 -0
- structures/1nuj.cif +0 -0
- structures/1nyi.cif +0 -0
- structures/1qbp.cif +0 -0
- structures/1rkj.cif +0 -0
- structures/1un6.cif +0 -0
- structures/1wvd.cif +0 -0
- structures/1y73.cif +0 -0
- structures/2b2d.cif +0 -0
- structures/2gv4.cif +0 -0
- structures/2iz8.cif +0 -0
- structures/2izn.cif +0 -0
- structures/2kuu.cif +0 -0
- structures/2kvn.cif +0 -0
- structures/2kzl.cif +0 -0
- structures/2l2k.cif +0 -0
- structures/2ldl.cif +0 -0
- structures/2lqz.cif +0 -0
- structures/2pxd.cif +0 -0
- structures/2ru7.cif +0 -0
- structures/3adi.cif +0 -0
- structures/3cf5.cif +0 -0
- structures/3cgp.cif +0 -0
- structures/3cgq.cif +0 -0
- structures/3f4h.cif +0 -0
- structures/3hm9.cif +0 -0
- structures/3ho1.cif +0 -0
- structures/3hvr.cif +0 -0
- structures/3j80.cif +0 -0
- structures/3j81.cif +0 -0
- structures/3s4p.cif +0 -0
- structures/3td0.cif +0 -0
- structures/3td1.cif +0 -0
- structures/3zjt.cif +0 -0
- structures/3zju.cif +0 -0
- structures/4aq7.cif +0 -0
- structures/4db2.cif +0 -0
- structures/4f8u.cif +0 -0
- structures/4fb0.cif +0 -0
- structures/4jya.cif +0 -0
- structures/4oq8.cif +0 -0
- structures/4oq9.cif +0 -0
- structures/4ts0.cif +0 -0
- structures/4w5n.cif +0 -0
- structures/5ay4.cif +0 -0
- structures/6b46.cif +0 -0
structures/1bau.cif
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structures/1bmv.cif
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structures/1efw.cif
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The diff for this file is too large to render.
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structures/1kfo.cif
ADDED
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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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