NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
389680 |
1ntt   |
5777 | cing | 4-filtered-FRED | STAR | entry | full | 202 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ntt
# This FRED archive file contains, for PDB entry <1ntt>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1ntt
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ntt
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5144.32
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_ A . 1 1
2 . 2 $5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_ B . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 DC 1 DC 1 1
2 2 5PC 2 5PC 1 1
2 2 PDU 3 PDU 1 1
2 2 5PC 4 5PC 1 1
2 2 5PC 5 5PC 1 1
2 2 PDU 6 PDU 1 1
2 2 PDU 7 PDU 1 1
stop_
save_
save_5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "5 R AP AP AP GP GP AP GP GP A 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code AAAGGAGGA
_Entity.Number_of_monomers 9
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 A . 1 1
2 A . 1 1
3 A . 1 1
4 G . 1 1
5 G . 1 1
6 A . 1 1
7 G . 1 1
8 G . 1 1
9 A . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
A 1 1 1 1
A 2 2 1 1
A 3 3 1 1
G 4 4 1 1
G 5 5 1 1
A 6 6 1 1
G 7 7 1 1
G 8 8 1 1
A 9 9 1 1
stop_
save_
save_5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "5 D CP 5PC P PDU P 5PC P 5PC P PDU P PDU 3 "
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DC . 1 2
2 5PC $5PC 1 2
3 PDU $PDU 1 2
4 5PC $5PC 1 2
5 5PC $5PC 1 2
6 PDU $PDU 1 2
7 PDU $PDU 1 2
stop_
save_
save_PDU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID PDU
_Chem_comp.Type non-polymer
save_
save_5PC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID 5PC
_Chem_comp.Type non-polymer
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 2 2 1 DC H1' B 1 PC5' H1' 1 1
1 1 2 2 2 1 DC H6 B 1 PC5' H6 1 1
2 1 1 2 2 1 DC H3' B 1 PC5' H3' 1 1
2 1 2 2 2 1 DC H6 B 1 PC5' H6 1 1
3 1 1 2 2 1 DC H3' B 1 PC5' H3' 1 1
3 1 2 2 2 2 5PC H6 B 2 PC H6 1 1
4 1 1 2 2 1 DC H1' B 1 PC5' H1' 1 1
4 1 2 2 2 1 DC H4' B 1 PC5' H4' 1 1
5 1 1 1 1 1 A H2 1 2 A H2 1 1
5 1 2 1 1 2 A H1' 1 3 A H1' 1 1
6 1 1 2 2 1 DC H1' B 1 PC5' H1' 1 1
6 1 2 2 2 2 5PC H6 B 2 PC H6 1 1
7 1 1 1 1 1 A H1' 1 2 A H1' 1 1
7 1 2 1 1 1 A H8 1 2 A H8 1 1
8 1 1 1 1 1 A H2' 1 2 A H2' 1 1
8 1 2 1 1 1 A H8 1 2 A H8 1 1
9 1 1 1 1 1 A H3' 1 2 A H3' 1 1
9 1 2 1 1 1 A H8 1 2 A H8 1 1
10 1 1 2 2 2 5PC H1' B 2 PC H1' 1 1
10 1 2 2 2 2 5PC H6 B 2 PC H6 1 1
11 1 1 1 1 1 A H1' 1 2 A H1' 1 1
11 1 2 1 1 1 A H2' 1 2 A H2' 1 1
12 1 1 1 1 1 A H1' 1 2 A H1' 1 1
12 1 2 1 1 1 A H3' 1 2 A H3' 1 1
13 1 1 2 2 2 5PC H1' B 2 PC H1' 1 1
13 1 2 2 2 2 5PC H4' B 2 PC H4' 1 1
14 1 1 1 1 1 A H1' 1 2 A H1' 1 1
14 1 2 1 1 2 A H8 1 3 A H8 1 1
15 1 1 2 2 2 5PC H3' B 2 PC H3' 1 1
15 1 2 2 2 2 5PC H6 B 2 PC H6 1 1
16 1 1 1 1 1 A H3' 1 2 A H3' 1 1
16 1 2 1 1 2 A H8 1 3 A H8 1 1
17 1 1 2 2 2 5PC H4' B 2 PC H4' 1 1
17 1 2 2 2 2 5PC H6 B 2 PC H6 1 1
18 1 1 1 1 1 A H1' 1 2 A H1' 1 1
18 1 2 1 1 1 A H4' 1 2 A H4' 1 1
19 1 1 2 2 3 PDU H1' B 3 PU H1' 1 1
19 1 2 2 2 3 PDU H6 B 3 PU H6 1 1
20 1 1 2 2 3 PDU H4' B 3 PU H4' 1 1
20 1 2 2 2 3 PDU H6 B 3 PU H6 1 1
21 1 1 1 1 1 A H2' 1 2 A H2' 1 1
21 1 2 1 1 2 A H8 1 3 A H8 1 1
22 1 1 1 1 2 A H1' 1 3 A H1' 1 1
22 1 2 1 1 2 A H8 1 3 A H8 1 1
23 1 1 1 1 2 A H1' 1 3 A H1' 1 1
23 1 2 1 1 2 A H2' 1 3 A H2' 1 1
24 1 1 1 1 2 A H2' 1 3 A H2' 1 1
24 1 2 1 1 3 A H8 1 4 A H8 1 1
25 1 1 2 2 3 PDU H3' B 3 PU H3' 1 1
25 1 2 2 2 3 PDU H6 B 3 PU H6 1 1
26 1 1 1 1 2 A H3' 1 3 A H3' 1 1
26 1 2 1 1 2 A H8 1 3 A H8 1 1
27 1 1 2 2 3 PDU H1' B 3 PU H1' 1 1
27 1 2 2 2 3 PDU H3' B 3 PU H3' 1 1
28 1 1 2 2 3 PDU H3' B 3 PU H3' 1 1
28 1 2 2 2 4 5PC H6 B 4 PC H6 1 1
29 1 1 2 2 3 PDU H1' B 3 PU H1' 1 1
29 1 2 2 2 3 PDU H4' B 3 PU H4' 1 1
30 1 1 1 1 3 A H2 1 4 A H2 1 1
30 1 2 2 2 7 PDU H1' B 7 PU3' H1' 1 1
31 1 1 2 2 4 5PC H1' B 4 PC H1' 1 1
31 1 2 2 2 4 5PC H6 B 4 PC H6 1 1
32 1 1 1 1 2 A H1' 1 3 A H1' 1 1
32 1 2 1 1 3 A H8 1 4 A H8 1 1
33 1 1 1 1 3 A H1' 1 4 A H1' 1 1
33 1 2 1 1 3 A H8 1 4 A H8 1 1
34 1 1 1 1 3 A H2' 1 4 A H2' 1 1
34 1 2 1 1 3 A H8 1 4 A H8 1 1
35 1 1 1 1 3 A H3' 1 4 A H3' 1 1
35 1 2 1 1 3 A H8 1 4 A H8 1 1
36 1 1 1 1 2 A H2 1 3 A H2 1 1
36 1 2 1 1 3 A H1' 1 4 A H1' 1 1
37 1 1 1 1 3 A H1' 1 4 A H1' 1 1
37 1 2 1 1 3 A H2' 1 4 A H2' 1 1
38 1 1 2 2 4 5PC H1' B 4 PC H1' 1 1
38 1 2 2 2 4 5PC H3' B 4 PC H3' 1 1
39 1 1 1 1 3 A H1' 1 4 A H1' 1 1
39 1 2 1 1 4 G H8 1 5 G H8 1 1
40 1 1 1 1 6 A H2 1 7 A H2 1 1
40 1 2 2 2 4 5PC H1' B 4 PC H1' 1 1
41 1 1 1 1 3 A H2' 1 4 A H2' 1 1
41 1 2 1 1 4 G H1' 1 5 G H1' 1 1
42 1 1 2 2 4 5PC H3' B 4 PC H3' 1 1
42 1 2 2 2 4 5PC H6 B 4 PC H6 1 1
43 1 1 1 1 3 A H1' 1 4 A H1' 1 1
43 1 2 1 1 3 A H3' 1 4 A H3' 1 1
44 1 1 2 2 4 5PC H4' B 4 PC H4' 1 1
44 1 2 2 2 4 5PC H6 B 4 PC H6 1 1
45 1 1 2 2 4 5PC H1' B 4 PC H1' 1 1
45 1 2 2 2 4 5PC H4' B 4 PC H4' 1 1
46 1 1 1 1 3 A H1' 1 4 A H1' 1 1
46 1 2 1 1 3 A H4' 1 4 A H4' 1 1
47 1 1 2 2 4 5PC H1' B 4 PC H1' 1 1
47 1 2 2 2 5 5PC H6 B 5 PC H6 1 1
48 1 1 2 2 5 5PC H1' B 5 PC H1' 1 1
48 1 2 2 2 5 5PC H6 B 5 PC H6 1 1
49 1 1 2 2 5 5PC H3' B 5 PC H3' 1 1
49 1 2 2 2 5 5PC H6 B 5 PC H6 1 1
50 1 1 2 2 5 5PC H4' B 5 PC H4' 1 1
50 1 2 2 2 5 5PC H6 B 5 PC H6 1 1
51 1 1 1 1 3 A H2' 1 4 A H2' 1 1
51 1 2 1 1 4 G H8 1 5 G H8 1 1
52 1 1 1 1 3 A H3' 1 4 A H3' 1 1
52 1 2 1 1 4 G H8 1 5 G H8 1 1
53 1 1 1 1 4 G H1' 1 5 G H1' 1 1
53 1 2 1 1 4 G H2' 1 5 G H2' 1 1
54 1 1 1 1 4 G H2' 1 5 G H2' 1 1
54 1 2 1 1 5 G H1' 1 6 G H1' 1 1
55 1 1 1 1 4 G H3' 1 5 G H3' 1 1
55 1 2 1 1 4 G H8 1 5 G H8 1 1
56 1 1 1 1 4 G H1' 1 5 G H1' 1 1
56 1 2 1 1 4 G H3' 1 5 G H3' 1 1
57 1 1 2 2 5 5PC H1' B 5 PC H1' 1 1
57 1 2 2 2 5 5PC H3' B 5 PC H3' 1 1
58 1 1 1 1 4 G H3' 1 5 G H3' 1 1
58 1 2 1 1 5 G H8 1 6 G H8 1 1
59 1 1 1 1 4 G H4' 1 5 G H4' 1 1
59 1 2 1 1 4 G H8 1 5 G H8 1 1
60 1 1 2 2 5 5PC H1' B 5 PC H1' 1 1
60 1 2 2 2 5 5PC H4' B 5 PC H4' 1 1
61 1 1 1 1 4 G H1' 1 5 G H1' 1 1
61 1 2 1 1 4 G H4' 1 5 G H4' 1 1
62 1 1 2 2 5 5PC H1' B 5 PC H1' 1 1
62 1 2 2 2 6 PDU H6 B 6 PU H6 1 1
63 1 1 2 2 6 PDU H1' B 6 PU H1' 1 1
63 1 2 2 2 6 PDU H6 B 6 PU H6 1 1
64 1 1 2 2 6 PDU H3' B 6 PU H3' 1 1
64 1 2 2 2 6 PDU H6 B 6 PU H6 1 1
65 1 1 2 2 6 PDU H4' B 6 PU H4' 1 1
65 1 2 2 2 6 PDU H6 B 6 PU H6 1 1
66 1 1 1 1 4 G H1' 1 5 G H1' 1 1
66 1 2 1 1 5 G H8 1 6 G H8 1 1
67 1 1 1 1 4 G H2' 1 5 G H2' 1 1
67 1 2 1 1 5 G H8 1 6 G H8 1 1
68 1 1 1 1 5 G H1' 1 6 G H1' 1 1
68 1 2 1 1 5 G H8 1 6 G H8 1 1
69 1 1 1 1 5 G H3' 1 6 G H3' 1 1
69 1 2 1 1 5 G H8 1 6 G H8 1 1
70 1 1 1 1 5 G H1' 1 6 G H1' 1 1
70 1 2 1 1 5 G H3' 1 6 G H3' 1 1
71 1 1 2 2 6 PDU H1' B 6 PU H1' 1 1
71 1 2 2 2 6 PDU H4' B 6 PU H4' 1 1
72 1 1 2 2 6 PDU H1' B 6 PU H1' 1 1
72 1 2 2 2 7 PDU H6 B 7 PU3' H6 1 1
73 1 1 1 1 5 G H1' 1 6 G H1' 1 1
73 1 2 1 1 6 A H8 1 7 A H8 1 1
74 1 1 1 1 5 G H1' 1 6 G H1' 1 1
74 1 2 1 1 5 G H2' 1 6 G H2' 1 1
75 1 1 1 1 5 G H2' 1 6 G H2' 1 1
75 1 2 1 1 6 A H1' 1 7 A H1' 1 1
76 1 1 2 2 6 PDU H1' B 6 PU H1' 1 1
76 1 2 2 2 6 PDU H3' B 6 PU H3' 1 1
77 1 1 2 2 6 PDU H3' B 6 PU H3' 1 1
77 1 2 2 2 7 PDU H6 B 7 PU3' H6 1 1
78 1 1 1 1 5 G H3' 1 6 G H3' 1 1
78 1 2 1 1 6 A H8 1 7 A H8 1 1
79 1 1 1 1 5 G H1' 1 6 G H1' 1 1
79 1 2 1 1 5 G H4' 1 6 G H4' 1 1
80 1 1 2 2 7 PDU H1' B 7 PU3' H1' 1 1
80 1 2 2 2 7 PDU H6 B 7 PU3' H6 1 1
81 1 1 1 1 6 A H1' 1 7 A H1' 1 1
81 1 2 1 1 6 A H8 1 7 A H8 1 1
82 1 1 1 1 6 A H2' 1 7 A H2' 1 1
82 1 2 1 1 6 A H8 1 7 A H8 1 1
83 1 1 1 1 6 A H4' 1 7 A H4' 1 1
83 1 2 1 1 6 A H8 1 7 A H8 1 1
84 1 1 1 1 6 A H1' 1 7 A H1' 1 1
84 1 2 1 1 6 A H2' 1 7 A H2' 1 1
85 1 1 2 2 7 PDU H1' B 7 PU3' H1' 1 1
85 1 2 2 2 7 PDU H3' B 7 PU3' H3' 1 1
86 1 1 1 1 6 A H1' 1 7 A H1' 1 1
86 1 2 1 1 6 A H3' 1 7 A H3' 1 1
87 1 1 1 1 6 A H1' 1 7 A H1' 1 1
87 1 2 1 1 6 A H4' 1 7 A H4' 1 1
88 1 1 1 1 6 A H1' 1 7 A H1' 1 1
88 1 2 1 1 7 G H8 1 8 G H8 1 1
89 1 1 2 2 7 PDU H3' B 7 PU3' H3' 1 1
89 1 2 2 2 7 PDU H6 B 7 PU3' H6 1 1
90 1 1 1 1 6 A H3' 1 7 A H3' 1 1
90 1 2 1 1 6 A H8 1 7 A H8 1 1
91 1 1 1 1 6 A H3' 1 7 A H3' 1 1
91 1 2 1 1 7 G H8 1 8 G H8 1 1
92 1 1 2 2 7 PDU H4' B 7 PU3' H4' 1 1
92 1 2 2 2 7 PDU H6 B 7 PU3' H6 1 1
93 1 1 2 2 7 PDU H1' B 7 PU3' H1' 1 1
93 1 2 2 2 7 PDU H4' B 7 PU3' H4' 1 1
94 1 1 1 1 6 A H2' 1 7 A H2' 1 1
94 1 2 1 1 7 G H8 1 8 G H8 1 1
95 1 1 1 1 7 G H1' 1 8 G H1' 1 1
95 1 2 1 1 7 G H8 1 8 G H8 1 1
96 1 1 1 1 7 G H4' 1 8 G H4' 1 1
96 1 2 1 1 7 G H8 1 8 G H8 1 1
97 1 1 1 1 6 A H2 1 7 A H2 1 1
97 1 2 1 1 7 G H1' 1 8 G H1' 1 1
98 1 1 1 1 7 G H1' 1 8 G H1' 1 1
98 1 2 1 1 7 G H3' 1 8 G H3' 1 1
99 1 1 1 1 7 G H1' 1 8 G H1' 1 1
99 1 2 1 1 7 G H2' 1 8 G H2' 1 1
100 1 1 1 1 7 G H1' 1 8 G H1' 1 1
100 1 2 1 1 7 G H4' 1 8 G H4' 1 1
101 1 1 1 1 7 G H1' 1 8 G H1' 1 1
101 1 2 1 1 8 G H8 1 9 G H8 1 1
102 1 1 1 1 7 G H2' 1 8 G H2' 1 1
102 1 2 1 1 8 G H8 1 9 G H8 1 1
103 1 1 1 1 7 G H3' 1 8 G H3' 1 1
103 1 2 1 1 8 G H8 1 9 G H8 1 1
104 1 1 1 1 8 G H1' 1 9 G H1' 1 1
104 1 2 1 1 8 G H8 1 9 G H8 1 1
105 1 1 1 1 8 G H3' 1 9 G H3' 1 1
105 1 2 1 1 8 G H8 1 9 G H8 1 1
106 1 1 1 1 8 G H1' 1 9 G H1' 1 1
106 1 2 1 1 8 G H3' 1 9 G H3' 1 1
107 1 1 1 1 8 G H1' 1 9 G H1' 1 1
107 1 2 1 1 8 G H4' 1 9 G H4' 1 1
108 1 1 1 1 8 G H1' 1 9 G H1' 1 1
108 1 2 1 1 8 G H2' 1 9 G H2' 1 1
109 1 1 1 1 8 G H3' 1 9 G H3' 1 1
109 1 2 1 1 9 A H8 1 10 A H8 1 1
110 1 1 1 1 9 A H2 1 10 A H2 1 1
110 1 2 2 2 1 DC H1' B 1 PC5' H1' 1 1
111 1 1 1 1 8 G H2' 1 9 G H2' 1 1
111 1 2 1 1 9 A H8 1 10 A H8 1 1
112 1 1 1 1 9 A H1' 1 10 A H1' 1 1
112 1 2 1 1 9 A H8 1 10 A H8 1 1
113 1 1 1 1 9 A H1' 1 10 A H1' 1 1
113 1 2 1 1 9 A H2' 1 10 A H2' 1 1
114 1 1 1 1 9 A H3' 1 10 A H3' 1 1
114 1 2 1 1 9 A H8 1 10 A H8 1 1
115 1 1 1 1 9 A H1' 1 10 A H1' 1 1
115 1 2 1 1 9 A H3' 1 10 A H3' 1 1
116 1 1 1 1 9 A H1' 1 10 A H1' 1 1
116 1 2 1 1 9 A H4' 1 10 A H4' 1 1
117 1 1 1 1 8 G H2' 1 9 G H2' 1 1
117 1 2 1 1 9 A H1' 1 10 A H1' 1 1
118 1 1 1 1 8 G H1' 1 9 G H1' 1 1
118 1 2 1 1 9 A H8 1 10 A H8 1 1
119 1 1 1 1 1 A H2' 1 2 A H2' 1 1
119 1 2 1 1 2 A H1' 1 3 A H1' 1 1
120 1 1 1 1 2 A H2' 1 3 A H2' 1 1
120 1 2 1 1 2 A H8 1 3 A H8 1 1
121 1 1 1 1 3 A H2 1 4 A H2 1 1
121 1 2 1 1 4 G H1' 1 5 G H1' 1 1
122 1 1 1 1 5 G H2' 1 6 G H2' 1 1
122 1 2 1 1 6 A H8 1 7 A H8 1 1
123 1 1 1 1 4 G H1' 1 5 G H1' 1 1
123 1 2 1 1 4 G H8 1 5 G H8 1 1
124 1 1 1 1 7 G H3' 1 8 G H3' 1 1
124 1 2 1 1 7 G H8 1 8 G H8 1 1
125 1 1 2 2 3 PDU H1' B 3 PU H1' 1 1
125 1 2 2 2 4 5PC H6 B 4 PC H6 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.826 5.248 1 1
2 1 . . . . . . 2.688 4.993 1 1
3 1 . . . . . . 2.338 4.343 1 1
4 1 . . . . . . 2.419 4.493 1 1
5 1 . . . . . . 2.379 4.418 1 1
6 1 . . . . . . 2.424 4.501 1 1
7 1 . . . . . . 2.261 4.198 1 1
8 1 . . . . . . 2.492 4.628 1 1
9 1 . . . . . . 2.478 4.602 1 1
10 1 . . . . . . 2.171 4.031 1 1
11 1 . . . . . . 1.981 3.679 1 1
12 1 . . . . . . 2.461 4.571 1 1
13 1 . . . . . . 2.694 5.002 1 1
14 1 . . . . . . 2.831 5.258 1 1
15 1 . . . . . . 2.2 4.085 1 1
16 1 . . . . . . 2.218 4.12 1 1
17 1 . . . . . . 2.623 4.871 1 1
18 1 . . . . . . 2.415 4.484 1 1
19 1 . . . . . . 2.582 4.794 1 1
20 1 . . . . . . 2.812 5.223 1 1
21 1 . . . . . . 2.08 3.862 1 1
22 1 . . . . . . 2.792 5.186 1 1
23 1 . . . . . . 2.613 4.852 1 1
24 1 . . . . . . 2.449 4.548 1 1
25 1 . . . . . . 2.49 4.625 1 1
26 1 . . . . . . 2.174 4.037 1 1
27 1 . . . . . . 2.963 5.502 1 1
28 1 . . . . . . 2.523 4.685 1 1
29 1 . . . . . . 2.196 4.077 1 1
30 1 . . . . . . 2.959 5.495 1 1
31 1 . . . . . . 2.668 4.954 1 1
32 1 . . . . . . 2.969 5.513 1 1
33 1 . . . . . . 3.048 5.661 1 1
34 1 . . . . . . 2.754 5.114 1 1
35 1 . . . . . . 2.585 4.802 1 1
36 1 . . . . . . 2.335 4.336 1 1
37 1 . . . . . . 1.998 3.71 1 1
38 1 . . . . . . 2.636 4.895 1 1
39 1 . . . . . . 2.528 4.694 1 1
40 1 . . . . . . 3.191 5.926 1 1
41 1 . . . . . . 2.801 5.202 1 1
42 1 . . . . . . 2.314 4.297 1 1
43 1 . . . . . . 2.592 4.813 1 1
44 1 . . . . . . 2.759 5.124 1 1
45 1 . . . . . . 2.288 4.25 1 1
46 1 . . . . . . 2.702 5.018 1 1
47 1 . . . . . . 2.417 4.489 1 1
48 1 . . . . . . 2.599 4.827 1 1
49 1 . . . . . . 2.168 4.027 1 1
50 1 . . . . . . 2.264 4.205 1 1
51 1 . . . . . . 2.035 3.78 1 1
52 1 . . . . . . 2.346 4.346 1 1
53 1 . . . . . . 1.983 3.682 1 1
54 1 . . . . . . 3.18 5.906 1 1
55 1 . . . . . . 2.116 3.93 1 1
56 1 . . . . . . 2.535 4.708 1 1
57 1 . . . . . . 2.389 4.437 1 1
58 1 . . . . . . 2.433 4.518 1 1
59 1 . . . . . . 2.766 5.194 1 1
60 1 . . . . . . 2.159 4.009 1 1
61 1 . . . . . . 2.689 4.994 1 1
62 1 . . . . . . 2.418 4.491 1 1
63 1 . . . . . . 2.736 5.08 1 1
64 1 . . . . . . 2.276 4.271 1 1
65 1 . . . . . . 2.762 5.129 1 1
66 1 . . . . . . 2.865 5.32 1 1
67 1 . . . . . . 2.137 3.968 1 1
68 1 . . . . . . 3.213 5.968 1 1
69 1 . . . . . . 2.71 5.032 1 1
70 1 . . . . . . 2.624 4.981 1 1
71 1 . . . . . . 2.232 4.145 1 1
72 1 . . . . . . 2.464 4.576 1 1
73 1 . . . . . . 2.431 4.515 1 1
74 1 . . . . . . 1.944 3.61 1 1
75 1 . . . . . . 2.446 4.542 1 1
76 1 . . . . . . 2.54 4.717 1 1
77 1 . . . . . . 2.588 4.807 1 1
78 1 . . . . . . 2.841 5.276 1 1
79 1 . . . . . . 2.501 4.645 1 1
80 1 . . . . . . 2.321 4.311 1 1
81 1 . . . . . . 3.084 5.727 1 1
82 1 . . . . . . 0.0 5.0 1 1
83 1 . . . . . . 0.0 5.0 1 1
84 1 . . . . . . 2.556 4.747 1 1
85 1 . . . . . . 2.913 5.41 1 1
86 1 . . . . . . 2.261 4.2 1 1
87 1 . . . . . . 2.448 4.547 1 1
88 1 . . . . . . 2.619 4.863 1 1
89 1 . . . . . . 2.211 4.107 1 1
90 1 . . . . . . 2.662 4.943 1 1
91 1 . . . . . . 2.126 3.947 1 1
92 1 . . . . . . 2.552 4.74 1 1
93 1 . . . . . . 2.306 4.282 1 1
94 1 . . . . . . 2.199 4.084 1 1
95 1 . . . . . . 2.921 5.425 1 1
96 1 . . . . . . 2.581 4.794 1 1
97 1 . . . . . . 2.145 3.983 1 1
98 1 . . . . . . 2.449 4.548 1 1
99 1 . . . . . . 1.985 3.687 1 1
100 1 . . . . . . 2.634 4.891 1 1
101 1 . . . . . . 2.629 4.882 1 1
102 1 . . . . . . 2.053 3.812 1 1
103 1 . . . . . . 2.234 4.148 1 1
104 1 . . . . . . 2.893 5.372 1 1
105 1 . . . . . . 2.353 4.369 1 1
106 1 . . . . . . 2.492 4.639 1 1
107 1 . . . . . . 2.253 4.183 1 1
108 1 . . . . . . 1.921 3.567 1 1
109 1 . . . . . . 2.379 4.417 1 1
110 1 . . . . . . 2.874 5.337 1 1
111 1 . . . . . . 1.956 3.633 1 1
112 1 . . . . . . 2.529 4.697 1 1
113 1 . . . . . . 1.974 3.667 1 1
114 1 . . . . . . 2.296 4.263 1 1
115 1 . . . . . . 2.632 4.889 1 1
116 1 . . . . . . 0.0 5.0 1 1
117 1 . . . . . . 3.238 6.0 1 1
118 1 . . . . . . 2.536 4.71 1 1
119 1 . . . . . . 3.327 6.0 1 1
120 1 . . . . . . 3.007 5.585 1 1
121 1 . . . . . . 2.348 4.36 1 1
122 1 . . . . . . 0.0 5.0 1 1
123 1 . . . . . . 3.345 6.0 1 1
124 1 . . . . . . 0.0 5.0 1 1
125 1 . . . . . . 2.458 4.564 1 1
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 A N1 1 3 A N1 1 2
1 1 2 2 2 7 PDU H3 B 7 PU3' H3 1 2
2 1 1 1 1 2 A H61 1 3 A H61 1 2
2 1 2 2 2 7 PDU O4 B 7 PU3' O4 1 2
3 1 1 1 1 3 A N1 1 4 A N1 1 2
3 1 2 2 2 6 PDU H3 B 6 PU H3 1 2
4 1 1 1 1 3 A H61 1 4 A H61 1 2
4 1 2 2 2 6 PDU O4 B 6 PU O4 1 2
5 1 1 1 1 4 G H1 1 5 G H1 1 2
5 1 2 2 2 5 5PC N3 B 5 PC N3 1 2
6 1 1 1 1 4 G O6 1 5 G O6 1 2
6 1 2 2 2 5 5PC H42 B 5 PC H42 1 2
7 1 1 1 1 4 G H21 1 5 G H22 1 2
7 1 2 2 2 5 5PC O2 B 5 PC O2 1 2
8 1 1 1 1 5 G H1 1 6 G H1 1 2
8 1 2 2 2 4 5PC N3 B 4 PC N3 1 2
9 1 1 1 1 5 G O6 1 6 G O6 1 2
9 1 2 2 2 4 5PC H42 B 4 PC H42 1 2
10 1 1 1 1 5 G H21 1 6 G H22 1 2
10 1 2 2 2 4 5PC O2 B 4 PC O2 1 2
11 1 1 1 1 6 A N1 1 7 A N1 1 2
11 1 2 2 2 3 PDU H3 B 3 PU H3 1 2
12 1 1 1 1 6 A H61 1 7 A H61 1 2
12 1 2 2 2 3 PDU O4 B 3 PU O4 1 2
13 1 1 1 1 7 G H1 1 8 G H1 1 2
13 1 2 2 2 2 5PC N3 B 2 PC N3 1 2
14 1 1 1 1 7 G O6 1 8 G O6 1 2
14 1 2 2 2 2 5PC H42 B 2 PC H42 1 2
15 1 1 1 1 7 G H21 1 8 G H22 1 2
15 1 2 2 2 2 5PC O2 B 2 PC O2 1 2
16 1 1 1 1 8 G H1 1 9 G H1 1 2
16 1 2 2 2 1 DC N3 B 1 PC5' N3 1 2
17 1 1 1 1 8 G O6 1 9 G O6 1 2
17 1 2 2 2 1 DC H41 B 1 PC5' H42 1 2
18 1 1 1 1 8 G H21 1 9 G H22 1 2
18 1 2 2 2 1 DC O2 B 1 PC5' O2 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.8 2.5 1 2
2 1 . . . . . . 1.8 2.5 1 2
3 1 . . . . . . 1.8 2.5 1 2
4 1 . . . . . . 1.8 2.5 1 2
5 1 . . . . . . 1.8 2.5 1 2
6 1 . . . . . . 1.8 2.5 1 2
7 1 . . . . . . 1.8 2.5 1 2
8 1 . . . . . . 1.8 2.5 1 2
9 1 . . . . . . 1.8 2.5 1 2
10 1 . . . . . . 1.8 2.5 1 2
11 1 . . . . . . 1.8 2.5 1 2
12 1 . . . . . . 1.8 2.5 1 2
13 1 . . . . . . 1.8 2.5 1 2
14 1 . . . . . . 1.8 2.5 1 2
15 1 . . . . . . 1.8 2.5 1 2
16 1 . . . . . . 1.8 2.5 1 2
17 1 . . . . . . 1.8 2.5 1 2
18 1 . . . . . . 1.8 2.5 1 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 A O3' 1 1 2 A P 1 1 2 A O5' 1 1 2 A C5' -150.0 150.0 1 2 A O3' 1 3 A P 1 3 A O5' 1 3 A C5' 1 1
2 . 1 1 2 A O3' 1 1 3 A P 1 1 3 A O5' 1 1 3 A C5' -150.0 150.0 1 3 A O3' 1 4 A P 1 4 A O5' 1 4 A C5' 1 1
3 . 1 1 3 A O3' 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' -150.0 150.0 1 4 A O3' 1 5 G P 1 5 G O5' 1 5 G C5' 1 1
4 . 1 1 4 G O3' 1 1 5 G P 1 1 5 G O5' 1 1 5 G C5' -150.0 150.0 1 5 G O3' 1 6 G P 1 6 G O5' 1 6 G C5' 1 1
5 . 1 1 5 G O3' 1 1 6 A P 1 1 6 A O5' 1 1 6 A C5' -150.0 150.0 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' 1 1
6 . 1 1 6 A O3' 1 1 7 G P 1 1 7 G O5' 1 1 7 G C5' -150.0 150.0 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' 1 1
7 . 1 1 7 G O3' 1 1 8 G P 1 1 8 G O5' 1 1 8 G C5' -150.0 150.0 1 8 G O3' 1 9 G P 1 9 G O5' 1 9 G C5' 1 1
8 . 1 1 8 G O3' 1 1 9 A P 1 1 9 A O5' 1 1 9 A C5' -150.0 150.0 1 9 G O3' 1 10 A P 1 10 A O5' 1 10 A C5' 1 1
9 . 1 1 2 A P 1 1 2 A O5' 1 1 2 A C5' 1 1 2 A C4' 150.0 210.0 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 1
10 . 1 1 3 A P 1 1 3 A O5' 1 1 3 A C5' 1 1 3 A C4' 150.0 210.0 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 1
11 . 1 1 4 G P 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 150.0 210.0 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 1
12 . 1 1 5 G P 1 1 5 G O5' 1 1 5 G C5' 1 1 5 G C4' 150.0 210.0 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 1
13 . 1 1 6 A P 1 1 6 A O5' 1 1 6 A C5' 1 1 6 A C4' 150.0 210.0 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 1
14 . 1 1 7 G P 1 1 7 G O5' 1 1 7 G C5' 1 1 7 G C4' 150.0 210.0 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 1
15 . 1 1 8 G P 1 1 8 G O5' 1 1 8 G C5' 1 1 8 G C4' 150.0 210.0 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 1
16 . 1 1 9 A P 1 1 9 A O5' 1 1 9 A C5' 1 1 9 A C4' 150.0 210.0 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 1
17 . 1 1 1 A O5' 1 1 1 A C5' 1 1 1 A C4' 1 1 1 A C3' 30.0 89.99999 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 1
18 . 1 1 2 A O5' 1 1 2 A C5' 1 1 2 A C4' 1 1 2 A C3' 30.0 89.99999 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 1
19 . 1 1 3 A O5' 1 1 3 A C5' 1 1 3 A C4' 1 1 3 A C3' 30.0 89.99999 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 1
20 . 1 1 4 G O5' 1 1 4 G C5' 1 1 4 G C4' 1 1 4 G C3' 30.0 89.99999 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 1
21 . 1 1 5 G O5' 1 1 5 G C5' 1 1 5 G C4' 1 1 5 G C3' 30.0 89.99999 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 1
22 . 1 1 6 A O5' 1 1 6 A C5' 1 1 6 A C4' 1 1 6 A C3' 30.0 89.99999 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 1
23 . 1 1 7 G O5' 1 1 7 G C5' 1 1 7 G C4' 1 1 7 G C3' 30.0 89.99999 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 1
24 . 1 1 8 G O5' 1 1 8 G C5' 1 1 8 G C4' 1 1 8 G C3' 30.0 89.99999 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 1
25 . 1 1 9 A O5' 1 1 9 A C5' 1 1 9 A C4' 1 1 9 A C3' 30.0 89.99999 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 1
26 . 1 1 1 A C5' 1 1 1 A C4' 1 1 1 A C3' 1 1 1 A O3' 70.0 110.0 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 1
27 . 1 1 2 A C5' 1 1 2 A C4' 1 1 2 A C3' 1 1 2 A O3' 70.0 110.0 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 1
28 . 1 1 3 A C5' 1 1 3 A C4' 1 1 3 A C3' 1 1 3 A O3' 70.0 110.0 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 1
29 . 1 1 4 G C5' 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 70.0 110.0 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 1
30 . 1 1 5 G C5' 1 1 5 G C4' 1 1 5 G C3' 1 1 5 G O3' 70.0 110.0 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 1
31 . 1 1 6 A C5' 1 1 6 A C4' 1 1 6 A C3' 1 1 6 A O3' 70.0 110.0 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 1
32 . 1 1 7 G C5' 1 1 7 G C4' 1 1 7 G C3' 1 1 7 G O3' 70.0 110.0 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 1
33 . 1 1 8 G C5' 1 1 8 G C4' 1 1 8 G C3' 1 1 8 G O3' 70.0 110.0 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 1
34 . 1 1 9 A C5' 1 1 9 A C4' 1 1 9 A C3' 1 1 9 A O3' 70.0 110.0 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 1
35 . 1 1 1 A C4' 1 1 1 A C3' 1 1 1 A O3' 1 1 2 A P -170.0 -100.0 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 A P 1 1
36 . 1 1 2 A C4' 1 1 2 A C3' 1 1 2 A O3' 1 1 3 A P -170.0 -100.0 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 A P 1 1
37 . 1 1 3 A C4' 1 1 3 A C3' 1 1 3 A O3' 1 1 4 G P -170.0 -100.0 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 G P 1 1
38 . 1 1 4 G C4' 1 1 4 G C3' 1 1 4 G O3' 1 1 5 G P -170.0 -100.0 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 G P 1 1
39 . 1 1 5 G C4' 1 1 5 G C3' 1 1 5 G O3' 1 1 6 A P -170.0 -100.0 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 A P 1 1
40 . 1 1 6 A C4' 1 1 6 A C3' 1 1 6 A O3' 1 1 7 G P -170.0 -100.0 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P 1 1
41 . 1 1 7 G C4' 1 1 7 G C3' 1 1 7 G O3' 1 1 8 G P -170.0 -100.0 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 G P 1 1
42 . 1 1 8 G C4' 1 1 8 G C3' 1 1 8 G O3' 1 1 9 A P -170.0 -100.0 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 A P 1 1
43 . 1 1 1 A C3' 1 1 1 A O3' 1 1 2 A P 1 1 2 A O5' -150.0 150.0 1 2 A C3' 1 2 A O3' 1 3 A P 1 3 A O5' 1 1
44 . 1 1 2 A C3' 1 1 2 A O3' 1 1 3 A P 1 1 3 A O5' -150.0 150.0 1 3 A C3' 1 3 A O3' 1 4 A P 1 4 A O5' 1 1
45 . 1 1 3 A C3' 1 1 3 A O3' 1 1 4 G P 1 1 4 G O5' -150.0 150.0 1 4 A C3' 1 4 A O3' 1 5 G P 1 5 G O5' 1 1
46 . 1 1 4 G C3' 1 1 4 G O3' 1 1 5 G P 1 1 5 G O5' -150.0 150.0 1 5 G C3' 1 5 G O3' 1 6 G P 1 6 G O5' 1 1
47 . 1 1 5 G C3' 1 1 5 G O3' 1 1 6 A P 1 1 6 A O5' -150.0 150.0 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' 1 1
48 . 1 1 6 A C3' 1 1 6 A O3' 1 1 7 G P 1 1 7 G O5' -150.0 150.0 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' 1 1
49 . 1 1 7 G C3' 1 1 7 G O3' 1 1 8 G P 1 1 8 G O5' -150.0 150.0 1 8 G C3' 1 8 G O3' 1 9 G P 1 9 G O5' 1 1
50 . 1 1 8 G C3' 1 1 8 G O3' 1 1 9 A P 1 1 9 A O5' -150.0 150.0 1 9 G C3' 1 9 G O3' 1 10 A P 1 10 A O5' 1 1
51 . 1 1 1 A O4' 1 1 1 A C1' 1 1 1 A N9 1 1 1 A C4 150.0 210.0 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 1 1
52 . 1 1 2 A O4' 1 1 2 A C1' 1 1 2 A N9 1 1 2 A C4 150.0 210.0 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 1 1
53 . 1 1 3 A O4' 1 1 3 A C1' 1 1 3 A N9 1 1 3 A C4 150.0 210.0 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 1 1
54 . 1 1 4 G O4' 1 1 4 G C1' 1 1 4 G N9 1 1 4 G C4 150.0 210.0 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 1 1
55 . 1 1 5 G O4' 1 1 5 G C1' 1 1 5 G N9 1 1 5 G C4 150.0 210.0 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 1 1
56 . 1 1 6 A O4' 1 1 6 A C1' 1 1 6 A N9 1 1 6 A C4 150.0 210.0 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 1 1
57 . 1 1 7 G O4' 1 1 7 G C1' 1 1 7 G N9 1 1 7 G C4 150.0 210.0 1 8 G O4' 1 8 G C1' 1 8 G N9 1 8 G C4 1 1
58 . 1 1 8 G O4' 1 1 8 G C1' 1 1 8 G N9 1 1 8 G C4 150.0 210.0 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 1 1
59 . 1 1 9 A O4' 1 1 9 A C1' 1 1 9 A N9 1 1 9 A C4 150.0 210.0 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C4 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 A C1' C 5.031 -6.555 13.869 1.00 . A A . 2 A C1' 1 1
1 2 1 1 1 A C2 C 0.652 -8.048 13.454 1.00 . A A . 2 A C2 1 1
1 3 1 1 1 A C2' C 5.563 -7.498 12.768 1.00 . A A . 2 A C2' 1 1
1 4 1 1 1 A C3' C 6.650 -6.675 12.075 1.00 . A A . 2 A C3' 1 1
1 5 1 1 1 A C4 C 2.444 -6.526 13.457 1.00 . A A . 2 A C4 1 1
1 6 1 1 1 A C4' C 7.173 -5.797 13.220 1.00 . A A . 2 A C4' 1 1
1 7 1 1 1 A C5 C 1.451 -5.462 13.336 1.00 . A A . 2 A C5 1 1
1 8 1 1 1 A C5' C 7.821 -4.475 12.771 1.00 . A A . 2 A C5' 1 1
1 9 1 1 1 A C6 C 0.055 -5.851 13.304 1.00 . A A . 2 A C6 1 1
1 10 1 1 1 A C8 C 3.342 -4.599 13.393 1.00 . A A . 2 A C8 1 1
1 11 1 1 1 A H1' H 4.912 -7.119 14.814 1.00 . A A . 2 A H1' 1 1
1 12 1 1 1 A H2 H 0.296 -9.068 13.481 1.00 . A A . 2 A H2 1 1
1 13 1 1 1 A H2' H 4.784 -7.812 12.050 1.00 . A A . 2 A H2' 1 1
1 14 1 1 1 A H3' H 6.187 -6.041 11.292 1.00 . A A . 2 A H3' 1 1
1 15 1 1 1 A H4' H 7.917 -6.374 13.803 1.00 . A A . 2 A H4' 1 1
1 16 1 1 1 A H5' H 8.283 -3.969 13.639 1.00 . A A . 2 A H5' 1 1
1 17 1 1 1 A H5'' H 8.640 -4.667 12.051 1.00 . A A . 2 A H5'' 1 1
1 18 1 1 1 A H61 H -1.876 -5.325 13.191 1.00 . A A . 2 A H61 1 1
1 19 1 1 1 A H62 H -0.634 -3.970 13.155 1.00 . A A . 2 A H62 1 1
1 20 1 1 1 A H8 H 4.105 -3.835 13.421 1.00 . A A . 2 A H8 1 1
1 21 1 1 1 A HO2' H 6.893 -8.864 12.789 1.00 . A A . 2 A HO2' 1 1
1 22 1 1 1 A HO5' H 6.077 -3.679 12.737 1.00 . A A . 2 A HO5' 1 1
1 23 1 1 1 A N1 N -0.282 -7.125 13.363 1.00 . A A . 2 A N1 1 1
1 24 1 1 1 A N3 N 1.951 -7.905 13.513 1.00 . A A . 2 A N3 1 1
1 25 1 1 1 A N6 N -0.921 -4.954 13.217 1.00 . A A . 2 A N6 1 1
1 26 1 1 1 A N7 N 2.027 -4.200 13.285 1.00 . A A . 2 A N7 1 1
1 27 1 1 1 A N9 N 3.708 -5.937 13.517 1.00 . A A . 2 A N9 1 1
1 28 1 1 1 A O2' O 6.139 -8.663 13.353 1.00 . A A . 2 A O2' 1 1
1 29 1 1 1 A O3' O 7.699 -7.506 11.536 1.00 . A A . 2 A O3' 1 1
1 30 1 1 1 A O4' O 6.039 -5.536 14.066 1.00 . A A . 2 A O4' 1 1
1 31 1 1 1 A O5' O 6.856 -3.610 12.181 1.00 . A A . 2 A O5' 1 1
1 32 1 1 2 A C1' C 3.078 -9.260 9.703 1.00 . A A . 3 A C1' 1 1
1 33 1 1 2 A C2 C -0.601 -6.457 9.752 1.00 . A A . 3 A C2 1 1
1 34 1 1 2 A C2' C 3.027 -9.911 8.313 1.00 . A A . 3 A C2' 1 1
1 35 1 1 2 A C3' C 4.501 -9.990 7.909 1.00 . A A . 3 A C3' 1 1
1 36 1 1 2 A C4 C 1.664 -7.069 9.685 1.00 . A A . 3 A C4 1 1
1 37 1 1 2 A C4' C 5.169 -10.271 9.265 1.00 . A A . 3 A C4' 1 1
1 38 1 1 2 A C5 C 1.983 -5.645 9.662 1.00 . A A . 3 A C5 1 1
1 39 1 1 2 A C5' C 6.647 -9.858 9.380 1.00 . A A . 3 A C5' 1 1
1 40 1 1 2 A C6 C 0.875 -4.715 9.711 1.00 . A A . 3 A C6 1 1
1 41 1 1 2 A C8 C 3.757 -6.721 9.563 1.00 . A A . 3 A C8 1 1
1 42 1 1 2 A H1' H 2.293 -9.705 10.339 1.00 . A A . 3 A H1' 1 1
1 43 1 1 2 A H2 H -1.644 -6.740 9.752 1.00 . A A . 3 A H2 1 1
1 44 1 1 2 A H2' H 2.438 -9.331 7.584 1.00 . A A . 3 A H2' 1 1
1 45 1 1 2 A H3' H 4.837 -9.008 7.518 1.00 . A A . 3 A H3' 1 1
1 46 1 1 2 A H4' H 5.099 -11.356 9.475 1.00 . A A . 3 A H4' 1 1
1 47 1 1 2 A H5' H 7.036 -10.184 10.363 1.00 . A A . 3 A H5' 1 1
1 48 1 1 2 A H5'' H 7.255 -10.386 8.621 1.00 . A A . 3 A H5'' 1 1
1 49 1 1 2 A H61 H 0.223 -2.812 9.776 1.00 . A A . 3 A H61 1 1
1 50 1 1 2 A H62 H 2.037 -3.080 9.695 1.00 . A A . 3 A H62 1 1
1 51 1 1 2 A H8 H 4.813 -6.929 9.474 1.00 . A A . 3 A H8 1 1
1 52 1 1 2 A HO2' H 2.929 -11.726 7.730 1.00 . A A . 3 A HO2' 1 1
1 53 1 1 2 A N1 N -0.364 -5.163 9.746 1.00 . A A . 3 A N1 1 1
1 54 1 1 2 A N3 N 0.250 -7.448 9.734 1.00 . A A . 3 A N3 1 1
1 55 1 1 2 A N6 N 1.063 -3.401 9.732 1.00 . A A . 3 A N6 1 1
1 56 1 1 2 A N7 N 3.348 -5.405 9.585 1.00 . A A . 3 A N7 1 1
1 57 1 1 2 A N9 N 2.857 -7.779 9.644 1.00 . A A . 3 A N9 1 1
1 58 1 1 2 A O2' O 2.476 -11.223 8.413 1.00 . A A . 3 A O2' 1 1
1 59 1 1 2 A O3' O 4.740 -11.034 6.944 1.00 . A A . 3 A O3' 1 1
1 60 1 1 2 A O4' O 4.377 -9.574 10.251 1.00 . A A . 3 A O4' 1 1
1 61 1 1 2 A O5' O 6.814 -8.436 9.224 1.00 . A A . 3 A O5' 1 1
1 62 1 1 2 A OP1 O 9.335 -8.345 9.748 1.00 . A A . 3 A OP1 1 1
1 63 1 1 2 A OP2 O 8.098 -6.210 9.353 1.00 . A A . 3 A OP2 1 1
1 64 1 1 2 A P P 8.005 -7.615 9.949 1.00 . A A . 3 A P 1 1
1 65 1 1 3 A C1' C -0.593 -9.052 5.943 1.00 . A A . 4 A C1' 1 1
1 66 1 1 3 A C2 C -2.291 -4.780 6.469 1.00 . A A . 4 A C2 1 1
1 67 1 1 3 A C2' C -1.066 -9.328 4.502 1.00 . A A . 4 A C2' 1 1
1 68 1 1 3 A C3' C 0.065 -10.184 3.917 1.00 . A A . 4 A C3' 1 1
1 69 1 1 3 A C4 C -0.670 -6.457 6.185 1.00 . A A . 4 A C4 1 1
1 70 1 1 3 A C4' C 0.518 -10.976 5.149 1.00 . A A . 4 A C4' 1 1
1 71 1 1 3 A C5 C 0.326 -5.393 6.111 1.00 . A A . 4 A C5 1 1
1 72 1 1 3 A C5' C 1.946 -11.550 5.074 1.00 . A A . 4 A C5' 1 1
1 73 1 1 3 A C6 C -0.147 -4.029 6.236 1.00 . A A . 4 A C6 1 1
1 74 1 1 3 A C8 C 1.301 -7.227 5.956 1.00 . A A . 4 A C8 1 1
1 75 1 1 3 A H1' H -1.442 -9.140 6.649 1.00 . A A . 4 A H1' 1 1
1 76 1 1 3 A H2 H -3.324 -4.494 6.602 1.00 . A A . 4 A H2 1 1
1 77 1 1 3 A H2' H -1.201 -8.407 3.909 1.00 . A A . 4 A H2' 1 1
1 78 1 1 3 A H3' H 0.890 -9.525 3.575 1.00 . A A . 4 A H3' 1 1
1 79 1 1 3 A H4' H -0.183 -11.819 5.302 1.00 . A A . 4 A H4' 1 1
1 80 1 1 3 A H5' H 2.112 -12.220 5.938 1.00 . A A . 4 A H5' 1 1
1 81 1 1 3 A H5'' H 2.055 -12.185 4.175 1.00 . A A . 4 A H5'' 1 1
1 82 1 1 3 A H61 H 0.265 -2.060 6.292 1.00 . A A . 4 A H61 1 1
1 83 1 1 3 A H62 H 1.673 -3.211 6.040 1.00 . A A . 4 A H62 1 1
1 84 1 1 3 A H8 H 2.104 -7.949 5.886 1.00 . A A . 4 A H8 1 1
1 85 1 1 3 A HO2' H -2.660 -9.954 3.633 1.00 . A A . 4 A HO2' 1 1
1 86 1 1 3 A N1 N -1.430 -3.786 6.417 1.00 . A A . 4 A N1 1 1
1 87 1 1 3 A N3 N -2.070 -6.065 6.371 1.00 . A A . 4 A N3 1 1
1 88 1 1 3 A N6 N 0.681 -2.992 6.183 1.00 . A A . 4 A N6 1 1
1 89 1 1 3 A N7 N 1.618 -5.884 5.968 1.00 . A A . 4 A N7 1 1
1 90 1 1 3 A N9 N -0.011 -7.677 6.068 1.00 . A A . 4 A N9 1 1
1 91 1 1 3 A O2' O -2.305 -10.035 4.524 1.00 . A A . 4 A O2' 1 1
1 92 1 1 3 A O3' O -0.360 -11.051 2.845 1.00 . A A . 4 A O3' 1 1
1 93 1 1 3 A O4' O 0.381 -10.069 6.263 1.00 . A A . 4 A O4' 1 1
1 94 1 1 3 A O5' O 2.945 -10.512 5.057 1.00 . A A . 4 A O5' 1 1
1 95 1 1 3 A OP1 O 4.952 -12.068 4.604 1.00 . A A . 4 A OP1 1 1
1 96 1 1 3 A OP2 O 5.352 -9.618 4.884 1.00 . A A . 4 A OP2 1 1
1 97 1 1 3 A P P 4.514 -10.808 5.352 1.00 . A A . 4 A P 1 1
1 98 1 1 4 G C1' C -4.498 -7.010 2.659 1.00 . A A . 5 G C1' 1 1
1 99 1 1 4 G C2 C -4.146 -2.446 3.419 1.00 . A A . 5 G C2 1 1
1 100 1 1 4 G C2' C -5.265 -6.989 1.323 1.00 . A A . 5 G C2' 1 1
1 101 1 1 4 G C3' C -4.625 -8.143 0.544 1.00 . A A . 5 G C3' 1 1
1 102 1 1 4 G C4 C -3.360 -4.669 2.932 1.00 . A A . 5 G C4 1 1
1 103 1 1 4 G C4' C -4.348 -9.149 1.670 1.00 . A A . 5 G C4' 1 1
1 104 1 1 4 G C5 C -2.009 -4.194 2.814 1.00 . A A . 5 G C5 1 1
1 105 1 1 4 G C5' C -3.272 -10.207 1.366 1.00 . A A . 5 G C5' 1 1
1 106 1 1 4 G C6 C -1.697 -2.696 3.068 1.00 . A A . 5 G C6 1 1
1 107 1 1 4 G C8 C -2.021 -6.211 2.363 1.00 . A A . 5 G C8 1 1
1 108 1 1 4 G H1 H -2.572 -0.927 3.500 1.00 . A A . 5 G H1 1 1
1 109 1 1 4 G H1' H -5.181 -6.766 3.496 1.00 . A A . 5 G H1' 1 1
1 110 1 1 4 G H2' H -5.172 -6.032 0.778 1.00 . A A . 5 G H2' 1 1
1 111 1 1 4 G H21 H -4.999 -0.564 3.721 1.00 . A A . 5 G H21 1 1
1 112 1 1 4 G H22 H -6.155 -1.946 3.632 1.00 . A A . 5 G H22 1 1
1 113 1 1 4 G H3' H -3.668 -7.811 0.091 1.00 . A A . 5 G H3' 1 1
1 114 1 1 4 G H4' H -5.286 -9.682 1.897 1.00 . A A . 5 G H4' 1 1
1 115 1 1 4 G H5' H -3.295 -10.991 2.146 1.00 . A A . 5 G H5' 1 1
1 116 1 1 4 G H5'' H -3.500 -10.724 0.415 1.00 . A A . 5 G H5'' 1 1
1 117 1 1 4 G H8 H -1.697 -7.185 2.020 1.00 . A A . 5 G H8 1 1
1 118 1 1 4 G HO2' H -6.936 -7.719 0.756 1.00 . A A . 5 G HO2' 1 1
1 119 1 1 4 G N1 N -2.777 -1.922 3.365 1.00 . A A . 5 G N1 1 1
1 120 1 1 4 G N2 N -5.205 -1.564 3.617 1.00 . A A . 5 G N2 1 1
1 121 1 1 4 G N3 N -4.387 -3.704 3.252 1.00 . A A . 5 G N3 1 1
1 122 1 1 4 G N7 N -1.112 -5.180 2.447 1.00 . A A . 5 G N7 1 1
1 123 1 1 4 G N9 N -3.363 -6.031 2.662 1.00 . A A . 5 G N9 1 1
1 124 1 1 4 G O2' O -6.648 -7.255 1.548 1.00 . A A . 5 G O2' 1 1
1 125 1 1 4 G O3' O -5.508 -8.686 -0.458 1.00 . A A . 5 G O3' 1 1
1 126 1 1 4 G O4' O -4.005 -8.361 2.829 1.00 . A A . 5 G O4' 1 1
1 127 1 1 4 G O5' O -1.960 -9.621 1.296 1.00 . A A . 5 G O5' 1 1
1 128 1 1 4 G O6 O -0.568 -2.213 3.008 1.00 . A A . 5 G O6 1 1
1 129 1 1 4 G OP1 O -0.759 -11.715 0.396 1.00 . A A . 5 G OP1 1 1
1 130 1 1 4 G OP2 O 0.576 -9.661 0.889 1.00 . A A . 5 G OP2 1 1
1 131 1 1 4 G P P -0.610 -10.516 1.335 1.00 . A A . 5 G P 1 1
1 132 1 1 5 G C1' C -6.860 -3.064 -0.401 1.00 . A A . 6 G C1' 1 1
1 133 1 1 5 G C2 C -4.091 0.568 0.407 1.00 . A A . 6 G C2 1 1
1 134 1 1 5 G C2' C -7.512 -2.607 -1.720 1.00 . A A . 6 G C2' 1 1
1 135 1 1 5 G C3' C -7.648 -3.912 -2.508 1.00 . A A . 6 G C3' 1 1
1 136 1 1 5 G C4 C -4.636 -1.714 -0.145 1.00 . A A . 6 G C4 1 1
1 137 1 1 5 G C4' C -7.953 -4.913 -1.384 1.00 . A A . 6 G C4' 1 1
1 138 1 1 5 G C5 C -3.246 -2.037 -0.292 1.00 . A A . 6 G C5 1 1
1 139 1 1 5 G C5' C -7.644 -6.385 -1.708 1.00 . A A . 6 G C5' 1 1
1 140 1 1 5 G C6 C -2.174 -0.950 -0.032 1.00 . A A . 6 G C6 1 1
1 141 1 1 5 G C8 C -4.340 -3.731 -0.737 1.00 . A A . 6 G C8 1 1
1 142 1 1 5 G H1 H -1.943 0.995 0.456 1.00 . A A . 6 G H1 1 1
1 143 1 1 5 G H1' H -7.287 -2.498 0.449 1.00 . A A . 6 G H1' 1 1
1 144 1 1 5 G H2' H -6.909 -1.864 -2.273 1.00 . A A . 6 G H2' 1 1
1 145 1 1 5 G H21 H -3.790 2.602 0.803 1.00 . A A . 6 G H21 1 1
1 146 1 1 5 G H22 H -5.507 2.058 0.741 1.00 . A A . 6 G H22 1 1
1 147 1 1 5 G H3' H -6.679 -4.167 -2.985 1.00 . A A . 6 G H3' 1 1
1 148 1 1 5 G H4' H -9.027 -4.839 -1.127 1.00 . A A . 6 G H4' 1 1
1 149 1 1 5 G H5' H -8.005 -7.022 -0.880 1.00 . A A . 6 G H5' 1 1
1 150 1 1 5 G H5'' H -8.209 -6.704 -2.605 1.00 . A A . 6 G H5'' 1 1
1 151 1 1 5 G H8 H -4.570 -4.735 -1.067 1.00 . A A . 6 G H8 1 1
1 152 1 1 5 G HO2' H -9.326 -2.302 -2.231 1.00 . A A . 6 G HO2' 1 1
1 153 1 1 5 G N1 N -2.658 0.274 0.310 1.00 . A A . 6 G N1 1 1
1 154 1 1 5 G N2 N -4.501 1.872 0.686 1.00 . A A . 6 G N2 1 1
1 155 1 1 5 G N3 N -4.976 -0.354 0.216 1.00 . A A . 6 G N3 1 1
1 156 1 1 5 G N7 N -3.022 -3.344 -0.678 1.00 . A A . 6 G N7 1 1
1 157 1 1 5 G N9 N -5.375 -2.859 -0.418 1.00 . A A . 6 G N9 1 1
1 158 1 1 5 G O2' O -8.802 -2.054 -1.464 1.00 . A A . 6 G O2' 1 1
1 159 1 1 5 G O3' O -8.704 -3.853 -3.488 1.00 . A A . 6 G O3' 1 1
1 160 1 1 5 G O4' O -7.189 -4.464 -0.244 1.00 . A A . 6 G O4' 1 1
1 161 1 1 5 G O5' O -6.237 -6.602 -1.921 1.00 . A A . 6 G O5' 1 1
1 162 1 1 5 G O6 O -0.967 -1.155 -0.127 1.00 . A A . 6 G O6 1 1
1 163 1 1 5 G OP1 O -6.462 -9.007 -2.819 1.00 . A A . 6 G OP1 1 1
1 164 1 1 5 G OP2 O -4.185 -8.011 -2.561 1.00 . A A . 6 G OP2 1 1
1 165 1 1 5 G P P -5.589 -8.086 -1.963 1.00 . A A . 6 G P 1 1
1 166 1 1 6 A C1' C -6.420 1.423 -3.335 1.00 . A A . 7 A C1' 1 1
1 167 1 1 6 A C2 C -1.978 2.585 -2.700 1.00 . A A . 7 A C2 1 1
1 168 1 1 6 A C2' C -6.707 2.241 -4.608 1.00 . A A . 7 A C2' 1 1
1 169 1 1 6 A C3' C -7.595 1.300 -5.427 1.00 . A A . 7 A C3' 1 1
1 170 1 1 6 A C4 C -3.820 1.211 -3.195 1.00 . A A . 7 A C4 1 1
1 171 1 1 6 A C4' C -8.418 0.631 -4.317 1.00 . A A . 7 A C4' 1 1
1 172 1 1 6 A C5 C -2.867 0.137 -3.452 1.00 . A A . 7 A C5 1 1
1 173 1 1 6 A C5' C -9.064 -0.715 -4.687 1.00 . A A . 7 A C5' 1 1
1 174 1 1 6 A C6 C -1.461 0.436 -3.272 1.00 . A A . 7 A C6 1 1
1 175 1 1 6 A C8 C -4.786 -0.584 -3.809 1.00 . A A . 7 A C8 1 1
1 176 1 1 6 A H1' H -6.410 2.087 -2.449 1.00 . A A . 7 A H1' 1 1
1 177 1 1 6 A H2 H -1.587 3.564 -2.461 1.00 . A A . 7 A H2 1 1
1 178 1 1 6 A H2' H -5.795 2.519 -5.165 1.00 . A A . 7 A H2' 1 1
1 179 1 1 6 A H3' H -6.969 0.540 -5.940 1.00 . A A . 7 A H3' 1 1
1 180 1 1 6 A H4' H -9.227 1.322 -4.012 1.00 . A A . 7 A H4' 1 1
1 181 1 1 6 A H5' H -9.727 -1.036 -3.863 1.00 . A A . 7 A H5' 1 1
1 182 1 1 6 A H5'' H -9.718 -0.595 -5.572 1.00 . A A . 7 A H5'' 1 1
1 183 1 1 6 A H61 H 0.451 -0.214 -3.293 1.00 . A A . 7 A H61 1 1
1 184 1 1 6 A H62 H -0.858 -1.416 -3.744 1.00 . A A . 7 A H62 1 1
1 185 1 1 6 A H8 H -5.578 -1.254 -4.115 1.00 . A A . 7 A H8 1 1
1 186 1 1 6 A HO2' H -7.983 3.595 -5.039 1.00 . A A . 7 A HO2' 1 1
1 187 1 1 6 A N1 N -1.081 1.644 -2.901 1.00 . A A . 7 A N1 1 1
1 188 1 1 6 A N3 N -3.281 2.514 -2.795 1.00 . A A . 7 A N3 1 1
1 189 1 1 6 A N6 N -0.523 -0.486 -3.467 1.00 . A A . 7 A N6 1 1
1 190 1 1 6 A N7 N -3.486 -1.040 -3.852 1.00 . A A . 7 A N7 1 1
1 191 1 1 6 A N9 N -5.101 0.715 -3.420 1.00 . A A . 7 A N9 1 1
1 192 1 1 6 A O2' O -7.423 3.428 -4.275 1.00 . A A . 7 A O2' 1 1
1 193 1 1 6 A O3' O -8.421 2.005 -6.375 1.00 . A A . 7 A O3' 1 1
1 194 1 1 6 A O4' O -7.512 0.483 -3.202 1.00 . A A . 7 A O4' 1 1
1 195 1 1 6 A O5' O -8.079 -1.731 -4.949 1.00 . A A . 7 A O5' 1 1
1 196 1 1 6 A OP1 O -9.734 -3.507 -5.814 1.00 . A A . 7 A OP1 1 1
1 197 1 1 6 A OP2 O -7.309 -4.085 -5.641 1.00 . A A . 7 A OP2 1 1
1 198 1 1 6 A P P -8.456 -3.307 -4.996 1.00 . A A . 7 A P 1 1
1 199 1 1 7 G C1' C -3.642 5.213 -6.011 1.00 . A A . 8 G C1' 1 1
1 200 1 1 7 G C2 C 0.848 4.163 -5.818 1.00 . A A . 8 G C2 1 1
1 201 1 1 7 G C2' C -3.493 6.212 -7.178 1.00 . A A . 8 G C2' 1 1
1 202 1 1 7 G C3' C -4.750 5.949 -8.012 1.00 . A A . 8 G C3' 1 1
1 203 1 1 7 G C4 C -1.497 3.736 -6.139 1.00 . A A . 8 G C4 1 1
1 204 1 1 7 G C4' C -5.778 5.663 -6.909 1.00 . A A . 8 G C4' 1 1
1 205 1 1 7 G C5 C -1.234 2.357 -6.444 1.00 . A A . 8 G C5 1 1
1 206 1 1 7 G C5' C -7.035 4.897 -7.357 1.00 . A A . 8 G C5' 1 1
1 207 1 1 7 G C6 C 0.222 1.823 -6.379 1.00 . A A . 8 G C6 1 1
1 208 1 1 7 G C8 C -3.265 2.687 -6.664 1.00 . A A . 8 G C8 1 1
1 209 1 1 7 G H1 H 2.130 2.405 -6.058 1.00 . A A . 8 G H1 1 1
1 210 1 1 7 G H1' H -3.281 5.665 -5.065 1.00 . A A . 8 G H1' 1 1
1 211 1 1 7 G H2' H -2.574 6.059 -7.771 1.00 . A A . 8 G H2' 1 1
1 212 1 1 7 G H21 H 2.853 4.730 -5.648 1.00 . A A . 8 G H21 1 1
1 213 1 1 7 G H22 H 1.642 6.053 -5.453 1.00 . A A . 8 G H22 1 1
1 214 1 1 7 G H3' H -4.609 5.043 -8.637 1.00 . A A . 8 G H3' 1 1
1 215 1 1 7 G H4' H -6.109 6.629 -6.478 1.00 . A A . 8 G H4' 1 1
1 216 1 1 7 G H5' H -7.775 4.909 -6.535 1.00 . A A . 8 G H5' 1 1
1 217 1 1 7 G H5'' H -7.519 5.417 -8.206 1.00 . A A . 8 G H5'' 1 1
1 218 1 1 7 G H8 H -4.303 2.510 -6.914 1.00 . A A . 8 G H8 1 1
1 219 1 1 7 G HO2' H -3.947 8.057 -7.373 1.00 . A A . 8 G HO2' 1 1
1 220 1 1 7 G N1 N 1.165 2.752 -6.063 1.00 . A A . 8 G N1 1 1
1 221 1 1 7 G N2 N 1.885 5.072 -5.616 1.00 . A A . 8 G N2 1 1
1 222 1 1 7 G N3 N -0.372 4.584 -5.822 1.00 . A A . 8 G N3 1 1
1 223 1 1 7 G N7 N -2.368 1.649 -6.792 1.00 . A A . 8 G N7 1 1
1 224 1 1 7 G N9 N -2.864 3.955 -6.258 1.00 . A A . 8 G N9 1 1
1 225 1 1 7 G O2' O -3.499 7.551 -6.687 1.00 . A A . 8 G O2' 1 1
1 226 1 1 7 G O3' O -5.127 7.082 -8.822 1.00 . A A . 8 G O3' 1 1
1 227 1 1 7 G O4' O -5.058 4.941 -5.889 1.00 . A A . 8 G O4' 1 1
1 228 1 1 7 G O5' O -6.734 3.539 -7.728 1.00 . A A . 8 G O5' 1 1
1 229 1 1 7 G O6 O 0.535 0.654 -6.599 1.00 . A A . 8 G O6 1 1
1 230 1 1 7 G OP1 O -9.061 2.961 -8.671 1.00 . A A . 8 G OP1 1 1
1 231 1 1 7 G OP2 O -7.318 1.175 -8.553 1.00 . A A . 8 G OP2 1 1
1 232 1 1 7 G P P -7.889 2.410 -7.855 1.00 . A A . 8 G P 1 1
1 233 1 1 8 G C1' C 0.654 7.440 -8.955 1.00 . A A . 9 G C1' 1 1
1 234 1 1 8 G C2 C 3.671 3.923 -9.228 1.00 . A A . 9 G C2 1 1
1 235 1 1 8 G C2' C 1.164 8.262 -10.152 1.00 . A A . 9 G C2' 1 1
1 236 1 1 8 G C3' C -0.127 8.759 -10.809 1.00 . A A . 9 G C3' 1 1
1 237 1 1 8 G C4 C 1.519 4.998 -9.301 1.00 . A A . 9 G C4 1 1
1 238 1 1 8 G C4' C -1.028 8.970 -9.582 1.00 . A A . 9 G C4' 1 1
1 239 1 1 8 G C5 C 0.869 3.743 -9.558 1.00 . A A . 9 G C5 1 1
1 240 1 1 8 G C5' C -2.543 8.961 -9.842 1.00 . A A . 9 G C5' 1 1
1 241 1 1 8 G C6 C 1.709 2.441 -9.600 1.00 . A A . 9 G C6 1 1
1 242 1 1 8 G C8 C -0.564 5.230 -9.611 1.00 . A A . 9 G C8 1 1
1 243 1 1 8 G H1 H 3.600 1.750 -9.487 1.00 . A A . 9 G H1 1 1
1 244 1 1 8 G H1' H 1.331 7.560 -8.087 1.00 . A A . 9 G H1' 1 1
1 245 1 1 8 G H2' H 1.776 7.672 -10.858 1.00 . A A . 9 G H2' 1 1
1 246 1 1 8 G H21 H 5.621 3.165 -9.290 1.00 . A A . 9 G H21 1 1
1 247 1 1 8 G H22 H 5.475 4.943 -9.035 1.00 . A A . 9 G H22 1 1
1 248 1 1 8 G H3' H -0.554 7.969 -11.460 1.00 . A A . 9 G H3' 1 1
1 249 1 1 8 G H4' H -0.781 9.942 -9.135 1.00 . A A . 9 G H4' 1 1
1 250 1 1 8 G H5' H -3.071 9.245 -8.913 1.00 . A A . 9 G H5' 1 1
1 251 1 1 8 G H5'' H -2.806 9.733 -10.590 1.00 . A A . 9 G H5'' 1 1
1 252 1 1 8 G H8 H -1.500 5.756 -9.754 1.00 . A A . 9 G H8 1 1
1 253 1 1 8 G HO2' H 1.631 10.111 -10.225 1.00 . A A . 9 G HO2' 1 1
1 254 1 1 8 G N1 N 3.047 2.610 -9.420 1.00 . A A . 9 G N1 1 1
1 255 1 1 8 G N2 N 5.061 4.016 -9.174 1.00 . A A . 9 G N2 1 1
1 256 1 1 8 G N3 N 2.956 4.995 -9.141 1.00 . A A . 9 G N3 1 1
1 257 1 1 8 G N7 N -0.492 3.865 -9.774 1.00 . A A . 9 G N7 1 1
1 258 1 1 8 G N9 N 0.548 5.987 -9.288 1.00 . A A . 9 G N9 1 1
1 259 1 1 8 G O2' O 1.930 9.371 -9.686 1.00 . A A . 9 G O2' 1 1
1 260 1 1 8 G O3' O 0.088 9.981 -11.547 1.00 . A A . 9 G O3' 1 1
1 261 1 1 8 G O4' O -0.649 7.969 -8.618 1.00 . A A . 9 G O4' 1 1
1 262 1 1 8 G O5' O -3.004 7.676 -10.294 1.00 . A A . 9 G O5' 1 1
1 263 1 1 8 G O6 O 1.231 1.325 -9.790 1.00 . A A . 9 G O6 1 1
1 264 1 1 8 G OP1 O -5.363 8.428 -10.995 1.00 . A A . 9 G OP1 1 1
1 265 1 1 8 G OP2 O -4.765 6.008 -11.138 1.00 . A A . 9 G OP2 1 1
1 266 1 1 8 G P P -4.577 7.294 -10.334 1.00 . A A . 9 G P 1 1
1 267 1 1 9 A C1' C 4.389 6.234 -12.755 1.00 . A A . 10 A C1' 1 1
1 268 1 1 9 A C2 C 3.787 1.636 -12.915 1.00 . A A . 10 A C2 1 1
1 269 1 1 9 A C2' C 5.027 6.585 -14.117 1.00 . A A . 10 A C2' 1 1
1 270 1 1 9 A C3' C 4.426 7.954 -14.437 1.00 . A A . 10 A C3' 1 1
1 271 1 1 9 A C4 C 3.200 3.912 -12.940 1.00 . A A . 10 A C4 1 1
1 272 1 1 9 A C4' C 4.265 8.578 -13.042 1.00 . A A . 10 A C4' 1 1
1 273 1 1 9 A C5 C 1.816 3.486 -13.110 1.00 . A A . 10 A C5 1 1
1 274 1 1 9 A C5' C 3.179 9.666 -12.938 1.00 . A A . 10 A C5' 1 1
1 275 1 1 9 A C6 C 1.559 2.060 -13.159 1.00 . A A . 10 A C6 1 1
1 276 1 1 9 A C8 C 1.863 5.566 -13.051 1.00 . A A . 10 A C8 1 1
1 277 1 1 9 A H1' H 5.141 5.760 -12.094 1.00 . A A . 10 A H1' 1 1
1 278 1 1 9 A H2 H 4.544 0.870 -12.828 1.00 . A A . 10 A H2 1 1
1 279 1 1 9 A H2' H 4.797 5.848 -14.911 1.00 . A A . 10 A H2' 1 1
1 280 1 1 9 A H3' H 3.436 7.810 -14.913 1.00 . A A . 10 A H3' 1 1
1 281 1 1 9 A H4' H 5.231 9.018 -12.726 1.00 . A A . 10 A H4' 1 1
1 282 1 1 9 A H5' H 3.147 10.053 -11.903 1.00 . A A . 10 A H5' 1 1
1 283 1 1 9 A H5'' H 3.438 10.531 -13.577 1.00 . A A . 10 A H5'' 1 1
1 284 1 1 9 A H61 H 0.241 0.555 -13.260 1.00 . A A . 10 A H61 1 1
1 285 1 1 9 A H62 H -0.433 2.264 -13.311 1.00 . A A . 10 A H62 1 1
1 286 1 1 9 A H8 H 1.517 6.590 -13.067 1.00 . A A . 10 A H8 1 1
1 287 1 1 9 A HO2' H 6.696 7.379 -14.604 1.00 . A A . 10 A HO2' 1 1
1 288 1 1 9 A HO3' H 4.779 9.546 -15.461 1.00 . A A . 10 A HO3' 1 1
1 289 1 1 9 A N1 N 2.554 1.199 -13.061 1.00 . A A . 10 A N1 1 1
1 290 1 1 9 A N3 N 4.224 2.867 -12.845 1.00 . A A . 10 A N3 1 1
1 291 1 1 9 A N6 N 0.328 1.576 -13.280 1.00 . A A . 10 A N6 1 1
1 292 1 1 9 A N7 N 0.934 4.557 -13.184 1.00 . A A . 10 A N7 1 1
1 293 1 1 9 A N9 N 3.223 5.304 -12.901 1.00 . A A . 10 A N9 1 1
1 294 1 1 9 A O2' O 6.442 6.691 -13.982 1.00 . A A . 10 A O2' 1 1
1 295 1 1 9 A O3' O 5.264 8.736 -15.284 1.00 . A A . 10 A O3' 1 1
1 296 1 1 9 A O4' O 3.971 7.481 -12.157 1.00 . A A . 10 A O4' 1 1
1 297 1 1 9 A O5' O 1.888 9.154 -13.316 1.00 . A A . 10 A O5' 1 1
1 298 1 1 9 A OP1 O 0.723 11.432 -13.574 1.00 . A A . 10 A OP1 1 1
1 299 1 1 9 A OP2 O -0.589 9.341 -13.948 1.00 . A A . 10 A OP2 1 1
1 300 1 1 9 A P P 0.515 9.988 -13.112 1.00 . A A . 10 A P 1 1
1 301 2 2 1 DC C1' C 8.202 -0.885 -10.193 1.00 . B B . 1 DC C1' 1 1
1 302 2 2 1 DC C2 C 5.873 0.035 -10.057 1.00 . B B . 1 DC C2 1 1
1 303 2 2 1 DC C2' C 8.984 -0.261 -9.025 1.00 . B B . 1 DC C2' 1 1
1 304 2 2 1 DC C3' C 9.617 -1.461 -8.335 1.00 . B B . 1 DC C3' 1 1
1 305 2 2 1 DC C4 C 3.966 -1.383 -9.582 1.00 . B B . 1 DC C4 1 1
1 306 2 2 1 DC C4' C 9.904 -2.390 -9.520 1.00 . B B . 1 DC C4' 1 1
1 307 2 2 1 DC C5 C 4.778 -2.473 -9.421 1.00 . B B . 1 DC C5 1 1
1 308 2 2 1 DC C5' C 9.955 -3.879 -9.136 1.00 . B B . 1 DC C5' 1 1
1 309 2 2 1 DC C6 C 6.130 -2.371 -9.571 1.00 . B B . 1 DC C6 1 1
1 310 2 2 1 DC H1' H 8.333 -0.246 -11.089 1.00 . B B . 1 DC H1' 1 1
1 311 2 2 1 DC H2' H 8.363 0.345 -8.341 1.00 . B B . 1 DC H2' 1 1
1 312 2 2 1 DC H2'' H 9.770 0.412 -9.414 1.00 . B B . 1 DC H2'' 1 1
1 313 2 2 1 DC H3' H 8.885 -1.934 -7.649 1.00 . B B . 1 DC H3' 1 1
1 314 2 2 1 DC H4' H 10.865 -2.105 -9.991 1.00 . B B . 1 DC H4' 1 1
1 315 2 2 1 DC H41 H 1.994 -0.670 -9.544 1.00 . B B . 1 DC H41 1 1
1 316 2 2 1 DC H42 H 2.170 -2.423 -9.190 1.00 . B B . 1 DC H42 1 1
1 317 2 2 1 DC H5 H 4.355 -3.446 -9.168 1.00 . B B . 1 DC H5 1 1
1 318 2 2 1 DC H5' H 8.989 -4.206 -8.709 1.00 . B B . 1 DC H5' 1 1
1 319 2 2 1 DC H5'' H 10.119 -4.500 -10.036 1.00 . B B . 1 DC H5'' 1 1
1 320 2 2 1 DC H6 H 6.762 -3.249 -9.431 1.00 . B B . 1 DC H6 1 1
1 321 2 2 1 DC HO5' H 10.919 -3.432 -7.521 1.00 . B B . 1 DC HO5' 1 1
1 322 2 2 1 DC N1 N 6.737 -1.048 -9.926 1.00 . B B . 1 DC N1 1 1
1 323 2 2 1 DC N3 N 4.436 -0.208 -9.867 1.00 . B B . 1 DC N3 1 1
1 324 2 2 1 DC N4 N 2.572 -1.514 -9.439 1.00 . B B . 1 DC N4 1 1
1 325 2 2 1 DC O2 O 6.294 1.161 -10.326 1.00 . B B . 1 DC O2 1 1
1 326 2 2 1 DC O3' O 10.833 -1.114 -7.655 1.00 . B B . 1 DC O3' 1 1
1 327 2 2 1 DC O4' O 8.845 -2.154 -10.468 1.00 . B B . 1 DC O4' 1 1
1 328 2 2 1 DC O5' O 11.000 -4.115 -8.197 1.00 . B B . 1 DC O5' 1 1
1 329 2 2 2 5PC C1' C 7.086 2.854 -6.115 1.00 . B B . 2 5PC C1' 1 1
1 330 2 2 2 5PC C2 C 4.735 1.990 -6.117 1.00 . B B . 2 5PC C2 1 1
1 331 2 2 2 5PC C2' C 7.468 3.251 -4.683 1.00 . B B . 2 5PC C2' 1 1
1 332 2 2 2 5PC C3' C 8.983 3.110 -4.583 1.00 . B B . 2 5PC C3' 1 1
1 333 2 2 2 5PC C4 C 4.253 -0.385 -6.025 1.00 . B B . 2 5PC C4 1 1
1 334 2 2 2 5PC C4' C 9.455 2.911 -6.036 1.00 . B B . 2 5PC C4' 1 1
1 335 2 2 2 5PC C5 C 5.602 -0.690 -6.019 1.00 . B B . 2 5PC C5 1 1
1 336 2 2 2 5PC C5' C 10.562 1.850 -6.201 1.00 . B B . 2 5PC C5' 1 1
1 337 2 2 2 5PC C6 C 6.534 0.312 -6.066 1.00 . B B . 2 5PC C6 1 1
1 338 2 2 2 5PC C7 C 6.169 -2.020 -5.966 1.00 . B B . 2 5PC C7 1 1
1 339 2 2 2 5PC C8 C 6.649 -3.124 -5.927 1.00 . B B . 2 5PC C8 1 1
1 340 2 2 2 5PC C9 C 7.214 -4.403 -5.885 1.00 . B B . 2 5PC C9 1 1
1 341 2 2 2 5PC H1' H 6.675 3.743 -6.634 1.00 . B B . 2 5PC H1' 1 1
1 342 2 2 2 5PC H2' H 7.004 2.601 -3.925 1.00 . B B . 2 5PC H2' 1 1
1 343 2 2 2 5PC H2'' H 7.106 4.269 -4.476 1.00 . B B . 2 5PC H2'' 1 1
1 344 2 2 2 5PC H3' H 9.174 2.176 -4.019 1.00 . B B . 2 5PC H3' 1 1
1 345 2 2 2 5PC H4' H 9.816 3.871 -6.448 1.00 . B B . 2 5PC H4' 1 1
1 346 2 2 2 5PC H41 H 3.494 -2.361 -5.859 1.00 . B B . 2 5PC H41 1 1
1 347 2 2 2 5PC H42 H 2.259 -1.057 -5.985 1.00 . B B . 2 5PC H42 1 1
1 348 2 2 2 5PC H5' H 10.860 1.791 -7.265 1.00 . B B . 2 5PC H5' 1 1
1 349 2 2 2 5PC H5'' H 11.469 2.149 -5.641 1.00 . B B . 2 5PC H5'' 1 1
1 350 2 2 2 5PC H6 H 7.606 0.109 -6.039 1.00 . B B . 2 5PC H6 1 1
1 351 2 2 2 5PC H91 H 8.264 -4.352 -5.541 1.00 . B B . 2 5PC H91 1 1
1 352 2 2 2 5PC H92 H 6.658 -5.060 -5.194 1.00 . B B . 2 5PC H92 1 1
1 353 2 2 2 5PC H93 H 7.207 -4.872 -6.885 1.00 . B B . 2 5PC H93 1 1
1 354 2 2 2 5PC N1 N 6.096 1.737 -6.142 1.00 . B B . 2 5PC N1 1 1
1 355 2 2 2 5PC N3 N 3.826 0.841 -6.090 1.00 . B B . 2 5PC N3 1 1
1 356 2 2 2 5PC N4 N 3.236 -1.374 -5.954 1.00 . B B . 2 5PC N4 1 1
1 357 2 2 2 5PC O2 O 4.299 3.142 -6.090 1.00 . B B . 2 5PC O2 1 1
1 358 2 2 2 5PC O3' O 9.654 4.181 -3.866 1.00 . B B . 2 5PC O3' 1 1
1 359 2 2 2 5PC O4' O 8.303 2.500 -6.798 1.00 . B B . 2 5PC O4' 1 1
1 360 2 2 2 5PC O5' O 10.105 0.561 -5.742 1.00 . B B . 2 5PC O5' 1 1
1 361 2 2 2 5PC OP1 O 12.341 -0.711 -5.620 1.00 . B B . 2 5PC OP1 1 1
1 362 2 2 2 5PC OP2 O 10.207 -1.976 -5.330 1.00 . B B . 2 5PC OP2 1 1
1 363 2 2 2 5PC P P 10.883 -0.818 -6.067 1.00 . B B . 2 5PC P 1 1
1 364 2 2 3 PDU C1' C 4.024 5.175 -2.446 1.00 . B B . 3 PDU C1' 1 1
1 365 2 2 3 PDU C2 C 2.403 3.277 -2.565 1.00 . B B . 3 PDU C2 1 1
1 366 2 2 3 PDU C2' C 4.001 5.767 -1.036 1.00 . B B . 3 PDU C2' 1 1
1 367 2 2 3 PDU C3' C 5.453 6.063 -0.685 1.00 . B B . 3 PDU C3' 1 1
1 368 2 2 3 PDU C4 C 3.043 0.956 -2.603 1.00 . B B . 3 PDU C4 1 1
1 369 2 2 3 PDU C4' C 6.060 6.328 -2.071 1.00 . B B . 3 PDU C4' 1 1
1 370 2 2 3 PDU C5 C 4.530 1.384 -2.420 1.00 . B B . 3 PDU C5 1 1
1 371 2 2 3 PDU C5' C 7.571 6.042 -2.168 1.00 . B B . 3 PDU C5' 1 1
1 372 2 2 3 PDU C5A C 5.596 0.426 -2.389 1.00 . B B . 3 PDU C5A 1 1
1 373 2 2 3 PDU C5B C 6.494 -0.377 -2.373 1.00 . B B . 3 PDU C5B 1 1
1 374 2 2 3 PDU C5M C 7.540 -1.307 -2.366 1.00 . B B . 3 PDU C5M 1 1
1 375 2 2 3 PDU C6 C 4.808 2.709 -2.318 1.00 . B B . 3 PDU C6 1 1
1 376 2 2 3 PDU H1' H 3.288 5.717 -3.074 1.00 . B B . 3 PDU H1' 1 1
1 377 2 2 3 PDU H2' H 3.570 5.089 -0.293 1.00 . B B . 3 PDU H2' 1 1
1 378 2 2 3 PDU H2'' H 3.382 6.679 -1.014 1.00 . B B . 3 PDU H2'' 1 1
1 379 2 2 3 PDU H3 H 1.131 1.692 -2.731 1.00 . B B . 3 PDU H3 1 1
1 380 2 2 3 PDU H3' H 5.912 5.163 -0.228 1.00 . B B . 3 PDU H3' 1 1
1 381 2 2 3 PDU H4' H 5.876 7.381 -2.361 1.00 . B B . 3 PDU H4' 1 1
1 382 2 2 3 PDU H5' H 8.133 6.680 -1.460 1.00 . B B . 3 PDU H5' 1 1
1 383 2 2 3 PDU H5'' H 7.779 4.993 -1.880 1.00 . B B . 3 PDU H5'' 1 1
1 384 2 2 3 PDU H6 H 5.826 3.064 -2.146 1.00 . B B . 3 PDU H6 1 1
1 385 2 2 3 PDU H71 H 7.150 -2.340 -2.407 1.00 . B B . 3 PDU H71 1 1
1 386 2 2 3 PDU H72 H 8.203 -1.163 -3.240 1.00 . B B . 3 PDU H72 1 1
1 387 2 2 3 PDU H73 H 8.155 -1.208 -1.453 1.00 . B B . 3 PDU H73 1 1
1 388 2 2 3 PDU N1 N 3.717 3.712 -2.452 1.00 . B B . 3 PDU N1 1 1
1 389 2 2 3 PDU N3 N 2.119 1.952 -2.649 1.00 . B B . 3 PDU N3 1 1
1 390 2 2 3 PDU O2 O 1.445 4.050 -2.584 1.00 . B B . 3 PDU O2 1 1
1 391 2 2 3 PDU O3' O 5.569 7.191 0.204 1.00 . B B . 3 PDU O3' 1 1
1 392 2 2 3 PDU O4 O 2.674 -0.214 -2.703 1.00 . B B . 3 PDU O4 1 1
1 393 2 2 3 PDU O4' O 5.335 5.468 -2.976 1.00 . B B . 3 PDU O4' 1 1
1 394 2 2 3 PDU O5' O 8.030 6.285 -3.511 1.00 . B B . 3 PDU O5' 1 1
1 395 2 2 3 PDU OP1 O 9.608 6.163 -5.538 1.00 . B B . 3 PDU OP1 1 1
1 396 2 2 3 PDU OP2 O 10.577 6.509 -3.269 1.00 . B B . 3 PDU OP2 1 1
1 397 2 2 3 PDU P P 9.478 5.796 -4.058 1.00 . B B . 3 PDU P 1 1
1 398 2 2 4 5PC C1' C 0.010 6.093 1.172 1.00 . B B . 4 5PC C1' 1 1
1 399 2 2 4 5PC C2 C -0.610 3.696 0.713 1.00 . B B . 4 5PC C2 1 1
1 400 2 2 4 5PC C2' C 0.122 6.620 2.607 1.00 . B B . 4 5PC C2' 1 1
1 401 2 2 4 5PC C3' C 0.432 8.103 2.432 1.00 . B B . 4 5PC C3' 1 1
1 402 2 2 4 5PC C4 C 1.071 1.941 0.767 1.00 . B B . 4 5PC C4 1 1
1 403 2 2 4 5PC C4' C 1.177 8.150 1.082 1.00 . B B . 4 5PC C4' 1 1
1 404 2 2 4 5PC C5 C 2.054 2.851 1.110 1.00 . B B . 4 5PC C5 1 1
1 405 2 2 4 5PC C5' C 2.697 8.411 1.187 1.00 . B B . 4 5PC C5' 1 1
1 406 2 2 4 5PC C6 C 1.737 4.170 1.280 1.00 . B B . 4 5PC C6 1 1
1 407 2 2 4 5PC C7 C 3.456 2.546 1.302 1.00 . B B . 4 5PC C7 1 1
1 408 2 2 4 5PC C8 C 4.625 2.299 1.454 1.00 . B B . 4 5PC C8 1 1
1 409 2 2 4 5PC C9 C 5.984 2.020 1.626 1.00 . B B . 4 5PC C9 1 1
1 410 2 2 4 5PC H1' H -1.012 6.308 0.796 1.00 . B B . 4 5PC H1' 1 1
1 411 2 2 4 5PC H2' H 0.957 6.142 3.154 1.00 . B B . 4 5PC H2' 1 1
1 412 2 2 4 5PC H2'' H -0.794 6.434 3.190 1.00 . B B . 4 5PC H2'' 1 1
1 413 2 2 4 5PC H3' H 1.055 8.482 3.267 1.00 . B B . 4 5PC H3' 1 1
1 414 2 2 4 5PC H4' H 0.749 8.966 0.469 1.00 . B B . 4 5PC H4' 1 1
1 415 2 2 4 5PC H41 H 2.294 0.208 0.738 1.00 . B B . 4 5PC H41 1 1
1 416 2 2 4 5PC H42 H 0.562 -0.068 0.345 1.00 . B B . 4 5PC H42 1 1
1 417 2 2 4 5PC H5' H 3.097 8.629 0.178 1.00 . B B . 4 5PC H5' 1 1
1 418 2 2 4 5PC H5'' H 2.895 9.319 1.786 1.00 . B B . 4 5PC H5'' 1 1
1 419 2 2 4 5PC H6 H 2.483 4.915 1.573 1.00 . B B . 4 5PC H6 1 1
1 420 2 2 4 5PC H91 H 6.408 1.549 0.720 1.00 . B B . 4 5PC H91 1 1
1 421 2 2 4 5PC H92 H 6.549 2.949 1.823 1.00 . B B . 4 5PC H92 1 1
1 422 2 2 4 5PC H93 H 6.144 1.334 2.477 1.00 . B B . 4 5PC H93 1 1
1 423 2 2 4 5PC N1 N 0.343 4.643 1.057 1.00 . B B . 4 5PC N1 1 1
1 424 2 2 4 5PC N3 N -0.165 2.301 0.581 1.00 . B B . 4 5PC N3 1 1
1 425 2 2 4 5PC N4 N 1.341 0.557 0.594 1.00 . B B . 4 5PC N4 1 1
1 426 2 2 4 5PC O2 O -1.788 4.003 0.528 1.00 . B B . 4 5PC O2 1 1
1 427 2 2 4 5PC O3' O -0.782 8.879 2.343 1.00 . B B . 4 5PC O3' 1 1
1 428 2 2 4 5PC O4' O 0.930 6.896 0.405 1.00 . B B . 4 5PC O4' 1 1
1 429 2 2 4 5PC O5' O 3.400 7.288 1.755 1.00 . B B . 4 5PC O5' 1 1
1 430 2 2 4 5PC OP1 O 5.619 8.352 2.505 1.00 . B B . 4 5PC OP1 1 1
1 431 2 2 4 5PC OP2 O 5.434 5.863 2.415 1.00 . B B . 4 5PC OP2 1 1
1 432 2 2 4 5PC P P 5.019 7.172 1.739 1.00 . B B . 4 5PC P 1 1
1 433 2 2 5 5PC C1' C -3.483 3.943 3.961 1.00 . B B . 5 5PC C1' 1 1
1 434 2 2 5 5PC C2 C -2.395 1.686 3.894 1.00 . B B . 5 5PC C2 1 1
1 435 2 2 5 5PC C2' C -4.051 4.378 5.315 1.00 . B B . 5 5PC C2' 1 1
1 436 2 2 5 5PC C3' C -4.407 5.860 5.175 1.00 . B B . 5 5PC C3' 1 1
1 437 2 2 5 5PC C4 C -0.011 1.417 4.247 1.00 . B B . 5 5PC C4 1 1
1 438 2 2 5 5PC C4' C -4.178 6.132 3.679 1.00 . B B . 5 5PC C4' 1 1
1 439 2 2 5 5PC C5 C 0.143 2.775 4.461 1.00 . B B . 5 5PC C5 1 1
1 440 2 2 5 5PC C5' C -3.734 7.562 3.319 1.00 . B B . 5 5PC C5' 1 1
1 441 2 2 5 5PC C6 C -0.943 3.608 4.401 1.00 . B B . 5 5PC C6 1 1
1 442 2 2 5 5PC C7 C 1.400 3.442 4.728 1.00 . B B . 5 5PC C7 1 1
1 443 2 2 5 5PC C8 C 2.448 4.000 4.937 1.00 . B B . 5 5PC C8 1 1
1 444 2 2 5 5PC C9 C 3.664 4.651 5.168 1.00 . B B . 5 5PC C9 1 1
1 445 2 2 5 5PC H1' H -4.295 3.431 3.405 1.00 . B B . 5 5PC H1' 1 1
1 446 2 2 5 5PC H2' H -3.328 4.261 6.141 1.00 . B B . 5 5PC H2' 1 1
1 447 2 2 5 5PC H2'' H -4.929 3.758 5.567 1.00 . B B . 5 5PC H2'' 1 1
1 448 2 2 5 5PC H3' H -3.706 6.462 5.788 1.00 . B B . 5 5PC H3' 1 1
1 449 2 2 5 5PC H4' H -5.118 5.926 3.129 1.00 . B B . 5 5PC H4' 1 1
1 450 2 2 5 5PC H41 H 2.016 0.840 4.504 1.00 . B B . 5 5PC H41 1 1
1 451 2 2 5 5PC H42 H 0.877 -0.487 4.076 1.00 . B B . 5 5PC H42 1 1
1 452 2 2 5 5PC H5' H -3.525 7.617 2.233 1.00 . B B . 5 5PC H5' 1 1
1 453 2 2 5 5PC H5'' H -4.563 8.271 3.506 1.00 . B B . 5 5PC H5'' 1 1
1 454 2 2 5 5PC H6 H -0.862 4.681 4.589 1.00 . B B . 5 5PC H6 1 1
1 455 2 2 5 5PC H91 H 4.474 4.197 4.568 1.00 . B B . 5 5PC H91 1 1
1 456 2 2 5 5PC H92 H 3.601 5.717 4.881 1.00 . B B . 5 5PC H92 1 1
1 457 2 2 5 5PC H93 H 3.952 4.597 6.233 1.00 . B B . 5 5PC H93 1 1
1 458 2 2 5 5PC N1 N -2.289 3.056 4.072 1.00 . B B . 5 5PC N1 1 1
1 459 2 2 5 5PC N3 N -1.168 0.890 3.982 1.00 . B B . 5 5PC N3 1 1
1 460 2 2 5 5PC N4 N 1.073 0.498 4.293 1.00 . B B . 5 5PC N4 1 1
1 461 2 2 5 5PC O2 O -3.483 1.147 3.687 1.00 . B B . 5 5PC O2 1 1
1 462 2 2 5 5PC O3' O -5.766 6.140 5.565 1.00 . B B . 5 5PC O3' 1 1
1 463 2 2 5 5PC O4' O -3.196 5.166 3.260 1.00 . B B . 5 5PC O4' 1 1
1 464 2 2 5 5PC O5' O -2.577 7.981 4.068 1.00 . B B . 5 5PC O5' 1 1
1 465 2 2 5 5PC OP1 O -2.607 10.432 3.274 1.00 . B B . 5 5PC OP1 1 1
1 466 2 2 5 5PC OP2 O -0.780 9.674 4.796 1.00 . B B . 5 5PC OP2 1 1
1 467 2 2 5 5PC P P -1.687 9.263 3.634 1.00 . B B . 5 5PC P 1 1
1 468 2 2 6 PDU C1' C -6.013 0.449 6.792 1.00 . B B . 6 PDU C1' 1 1
1 469 2 2 6 PDU C2 C -3.872 -0.828 6.924 1.00 . B B . 6 PDU C2 1 1
1 470 2 2 6 PDU C2' C -6.826 0.284 8.084 1.00 . B B . 6 PDU C2' 1 1
1 471 2 2 6 PDU C3' C -7.459 1.647 8.342 1.00 . B B . 6 PDU C3' 1 1
1 472 2 2 6 PDU C4 C -1.727 0.161 7.394 1.00 . B B . 6 PDU C4 1 1
1 473 2 2 6 PDU C4' C -7.594 2.187 6.914 1.00 . B B . 6 PDU C4' 1 1
1 474 2 2 6 PDU C5 C -2.427 1.541 7.571 1.00 . B B . 6 PDU C5 1 1
1 475 2 2 6 PDU C5' C -7.718 3.718 6.793 1.00 . B B . 6 PDU C5' 1 1
1 476 2 2 6 PDU C5A C -1.672 2.717 7.889 1.00 . B B . 6 PDU C5A 1 1
1 477 2 2 6 PDU C5B C -1.038 3.709 8.146 1.00 . B B . 6 PDU C5B 1 1
1 478 2 2 6 PDU C5M C -0.304 4.863 8.436 1.00 . B B . 6 PDU C5M 1 1
1 479 2 2 6 PDU C6 C -3.771 1.610 7.393 1.00 . B B . 6 PDU C6 1 1
1 480 2 2 6 PDU H1' H -6.318 -0.345 6.081 1.00 . B B . 6 PDU H1' 1 1
1 481 2 2 6 PDU H2' H -6.223 -0.028 8.948 1.00 . B B . 6 PDU H2' 1 1
1 482 2 2 6 PDU H2'' H -7.601 -0.493 7.948 1.00 . B B . 6 PDU H2'' 1 1
1 483 2 2 6 PDU H3 H -2.083 -1.811 6.975 1.00 . B B . 6 PDU H3 1 1
1 484 2 2 6 PDU H3' H -6.763 2.281 8.929 1.00 . B B . 6 PDU H3' 1 1
1 485 2 2 6 PDU H4' H -8.489 1.736 6.443 1.00 . B B . 6 PDU H4' 1 1
1 486 2 2 6 PDU H5' H -7.802 3.991 5.723 1.00 . B B . 6 PDU H5' 1 1
1 487 2 2 6 PDU H5'' H -8.656 4.060 7.270 1.00 . B B . 6 PDU H5'' 1 1
1 488 2 2 6 PDU H6 H -4.310 2.554 7.507 1.00 . B B . 6 PDU H6 1 1
1 489 2 2 6 PDU H71 H 0.615 4.909 7.824 1.00 . B B . 6 PDU H71 1 1
1 490 2 2 6 PDU H72 H -0.898 5.770 8.223 1.00 . B B . 6 PDU H72 1 1
1 491 2 2 6 PDU H73 H -0.009 4.889 9.501 1.00 . B B . 6 PDU H73 1 1
1 492 2 2 6 PDU N1 N -4.538 0.386 7.024 1.00 . B B . 6 PDU N1 1 1
1 493 2 2 6 PDU N3 N -2.525 -0.893 7.087 1.00 . B B . 6 PDU N3 1 1
1 494 2 2 6 PDU O2 O -4.450 -1.893 6.702 1.00 . B B . 6 PDU O2 1 1
1 495 2 2 6 PDU O3' O -8.731 1.536 9.009 1.00 . B B . 6 PDU O3' 1 1
1 496 2 2 6 PDU O4 O -0.515 -0.017 7.507 1.00 . B B . 6 PDU O4 1 1
1 497 2 2 6 PDU O4' O -6.428 1.708 6.216 1.00 . B B . 6 PDU O4' 1 1
1 498 2 2 6 PDU O5' O -6.601 4.405 7.389 1.00 . B B . 6 PDU O5' 1 1
1 499 2 2 6 PDU OP1 O -7.589 6.781 7.268 1.00 . B B . 6 PDU OP1 1 1
1 500 2 2 6 PDU OP2 O -5.243 6.479 8.073 1.00 . B B . 6 PDU OP2 1 1
1 501 2 2 6 PDU P P -6.302 5.971 7.092 1.00 . B B . 6 PDU P 1 1
1 502 2 2 7 PDU C1' C -6.610 -3.897 10.020 1.00 . B B . 7 PDU C1' 1 1
1 503 2 2 7 PDU C2 C -4.111 -3.931 9.877 1.00 . B B . 7 PDU C2 1 1
1 504 2 2 7 PDU C2' C -7.229 -4.390 11.337 1.00 . B B . 7 PDU C2' 1 1
1 505 2 2 7 PDU C3' C -8.290 -3.344 11.662 1.00 . B B . 7 PDU C3' 1 1
1 506 2 2 7 PDU C4 C -2.707 -2.026 10.339 1.00 . B B . 7 PDU C4 1 1
1 507 2 2 7 PDU C4' C -8.749 -2.921 10.259 1.00 . B B . 7 PDU C4' 1 1
1 508 2 2 7 PDU C5 C -3.982 -1.191 10.661 1.00 . B B . 7 PDU C5 1 1
1 509 2 2 7 PDU C5' C -9.398 -1.526 10.172 1.00 . B B . 7 PDU C5' 1 1
1 510 2 2 7 PDU C5A C -3.917 0.212 10.949 1.00 . B B . 7 PDU C5A 1 1
1 511 2 2 7 PDU C5B C -3.869 1.393 11.181 1.00 . B B . 7 PDU C5B 1 1
1 512 2 2 7 PDU C5M C -3.820 2.766 11.442 1.00 . B B . 7 PDU C5M 1 1
1 513 2 2 7 PDU C6 C -5.186 -1.815 10.615 1.00 . B B . 7 PDU C6 1 1
1 514 2 2 7 PDU H1' H -6.527 -4.775 9.354 1.00 . B B . 7 PDU H1' 1 1
1 515 2 2 7 PDU H2' H -6.483 -4.525 12.136 1.00 . B B . 7 PDU H2' 1 1
1 516 2 2 7 PDU H2'' H -7.703 -5.378 11.180 1.00 . B B . 7 PDU H2'' 1 1
1 517 2 2 7 PDU H3 H -2.073 -3.881 9.747 1.00 . B B . 7 PDU H3 1 1
1 518 2 2 7 PDU H3' H -7.826 -2.496 12.203 1.00 . B B . 7 PDU H3' 1 1
1 519 2 2 7 PDU H4' H -9.477 -3.663 9.875 1.00 . B B . 7 PDU H4' 1 1
1 520 2 2 7 PDU H5' H -9.652 -1.303 9.119 1.00 . B B . 7 PDU H5' 1 1
1 521 2 2 7 PDU H5'' H -10.356 -1.515 10.725 1.00 . B B . 7 PDU H5'' 1 1
1 522 2 2 7 PDU H6 H -6.105 -1.279 10.863 1.00 . B B . 7 PDU H6 1 1
1 523 2 2 7 PDU H71 H -3.215 2.981 12.341 1.00 . B B . 7 PDU H71 1 1
1 524 2 2 7 PDU H72 H -3.376 3.314 10.590 1.00 . B B . 7 PDU H72 1 1
1 525 2 2 7 PDU H73 H -4.837 3.169 11.608 1.00 . B B . 7 PDU H73 1 1
1 526 2 2 7 PDU HO3' H -9.955 -3.173 12.610 1.00 . B B . 7 PDU HO3' 1 1
1 527 2 2 7 PDU N1 N -5.276 -3.239 10.182 1.00 . B B . 7 PDU N1 1 1
1 528 2 2 7 PDU N3 N -2.901 -3.319 9.968 1.00 . B B . 7 PDU N3 1 1
1 529 2 2 7 PDU O2 O -4.106 -5.109 9.519 1.00 . B B . 7 PDU O2 1 1
1 530 2 2 7 PDU O3' O -9.351 -3.899 12.429 1.00 . B B . 7 PDU O3' 1 1
1 531 2 2 7 PDU O4 O -1.562 -1.580 10.393 1.00 . B B . 7 PDU O4 1 1
1 532 2 2 7 PDU O4' O -7.572 -2.990 9.431 1.00 . B B . 7 PDU O4' 1 1
1 533 2 2 7 PDU O5' O -8.531 -0.503 10.695 1.00 . B B . 7 PDU O5' 1 1
1 534 2 2 7 PDU OP1 O -10.298 1.329 11.045 1.00 . B B . 7 PDU OP1 1 1
1 535 2 2 7 PDU OP2 O -7.889 1.870 11.428 1.00 . B B . 7 PDU OP2 1 1
1 536 2 2 7 PDU P P -8.868 1.076 10.561 1.00 . B B . 7 PDU P 1 1
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