NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
455049 |
8psh   |
cing | 4-filtered-FRED | STAR | entry | full | 104 |
data_FRED_restraints_with_modified_coordinates_PDB_code_8psh
# This FRED archive file contains, for PDB entry <8psh>:
#
# - 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_8psh
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 8psh
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5033.51
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 $DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__ A . 1 1
2 . 2 $RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__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
1 1 DG 1 DG 1 1
1 1 SC 2 SC 1 1
1 1 GS 3 GS 1 1
1 1 PST 4 PST 1 1
1 1 SC 5 SC 1 1
1 1 . 6 . 1 1
1 1 GS 7 GS 1 1
1 1 GS 8 GS 1 1
stop_
save_
save_DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DNA 5 D DGP SC P GS P PST P SC P AS P GS P GS 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 DG . 1 1
2 SC $SC 1 1
3 GS $GS 1 1
4 PST $PST 1 1
5 SC $SC 1 1
6 . $. 1 1
7 GS $GS 1 1
8 GS $GS 1 1
stop_
save_
save_RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__3__
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "RNA 5 R CP CP UP GP AP CP GP C 3 "
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_seq_one_letter_code CCUGACGC
_Entity.Number_of_monomers 8
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 C . 1 2
2 C . 1 2
3 U . 1 2
4 G . 1 2
5 A . 1 2
6 C . 1 2
7 G . 1 2
8 C . 1 2
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
C 1 1 1 2
C 2 2 1 2
U 3 3 1 2
G 4 4 1 2
A 5 5 1 2
C 6 6 1 2
G 7 7 1 2
C 8 8 1 2
stop_
save_
save_SC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID SC
_Chem_comp.Type non-polymer
save_
save_GS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID GS
_Chem_comp.Type non-polymer
save_
save_PST
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID PST
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_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
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 1 DG H1' 1 15 G H1' 1 1
1 1 2 1 1 1 DG H4' 1 15 G H4' 1 1
2 1 1 1 1 1 DG H1' 1 15 G H1' 1 1
2 1 2 1 1 1 DG H8 1 15 G H8 1 1
3 1 1 1 1 1 DG H1' 1 15 G H1' 1 1
3 1 2 1 1 2 SC H5 1 16 C H5 1 1
4 1 1 1 1 1 DG H1' 1 15 G H1' 1 1
4 1 2 1 1 2 SC H6 1 16 C H6 1 1
5 1 1 1 1 1 DG H1' 1 15 G H1' 1 1
5 1 2 2 2 6 C H1' 1 14 C H1' 1 1
6 1 1 1 1 1 DG H3' 1 15 G H3' 1 1
6 1 2 1 1 1 DG H8 1 15 G H8 1 1
7 1 1 1 1 1 DG H3' 1 15 G H3' 1 1
7 1 2 1 1 2 SC H5 1 16 C H5 1 1
8 1 1 1 1 1 DG H3' 1 15 G H3' 1 1
8 1 2 1 1 2 SC H6 1 16 C H6 1 1
9 1 1 1 1 1 DG Q5' 1 15 G H5'1 1 1
9 1 2 1 1 1 DG H8 1 15 G H8 1 1
10 1 1 1 1 1 DG H8 1 15 G H8 1 1
10 1 2 2 2 6 C H1' 1 14 C H1' 1 1
11 1 1 1 1 1 DG H8 1 15 G H8 1 1
11 1 2 2 2 6 C H6 1 14 C H6 1 1
12 1 1 1 1 2 SC H1' 1 16 C H1' 1 1
12 1 2 1 1 2 SC H5 1 16 C H5 1 1
13 1 1 1 1 2 SC H1' 1 16 C H1' 1 1
13 1 2 1 1 2 SC H6 1 16 C H6 1 1
14 1 1 1 1 2 SC H3' 1 16 C H3' 1 1
14 1 2 1 1 2 SC H5 1 16 C H5 1 1
15 1 1 1 1 2 SC H3' 1 16 C H3' 1 1
15 1 2 1 1 2 SC H6 1 16 C H6 1 1
16 1 1 2 2 1 C H1' 1 9 C H1' 1 1
16 1 2 2 2 1 C H2' 1 9 C H2' 1 1
17 1 1 2 2 1 C H1' 1 9 C H1' 1 1
17 1 2 2 2 1 C H4' 1 9 C H4' 1 1
18 1 1 2 2 1 C H1' 1 9 C H1' 1 1
18 1 2 2 2 2 C H5 1 10 C H5 1 1
19 1 1 2 2 1 C H2' 1 9 C H2' 1 1
19 1 2 2 2 2 C H5 1 10 C H5 1 1
20 1 1 2 2 1 C H3' 1 9 C H3' 1 1
20 1 2 2 2 2 C H5 1 10 C H5 1 1
21 1 1 2 2 1 C H4' 1 9 C H4' 1 1
21 1 2 2 2 1 C H6 1 9 C H6 1 1
22 1 1 2 2 1 C H5' 1 9 C H5'1 1 1
22 1 2 2 2 1 C H6 1 9 C H6 1 1
23 1 1 2 2 2 C H1' 1 10 C H1' 1 1
23 1 2 2 2 2 C H2' 1 10 C H2' 1 1
24 1 1 2 2 2 C H2' 1 10 C H2' 1 1
24 1 2 2 2 2 C H5 1 10 C H5 1 1
25 1 1 2 2 2 C H5 1 10 C H5 1 1
25 1 2 2 2 3 U H6 1 11 U H6 1 1
26 1 1 2 2 3 U H1' 1 11 U H1' 1 1
26 1 2 2 2 3 U H2' 1 11 U H2' 1 1
27 1 1 2 2 3 U H1' 1 11 U H1' 1 1
27 1 2 2 2 4 G H8 1 12 G H8 1 1
28 1 1 2 2 3 U H2' 1 11 U H2' 1 1
28 1 2 2 2 3 U H4' 1 11 U H4' 1 1
29 1 1 2 2 3 U H2' 1 11 U H2' 1 1
29 1 2 2 2 3 U H6 1 11 U H6 1 1
30 1 1 2 2 3 U H2' 1 11 U H2' 1 1
30 1 2 2 2 4 G H1' 1 12 G H1' 1 1
31 1 1 2 2 3 U H2' 1 11 U H2' 1 1
31 1 2 2 2 4 G H8 1 12 G H8 1 1
32 1 1 2 2 3 U H3 1 11 U H3 1 1
32 1 2 2 2 4 G H1 1 12 G H1 1 1
33 1 1 2 2 3 U H3 1 11 U H3 1 1
33 1 2 2 2 4 G H1' 1 12 G H1' 1 1
34 1 1 2 2 4 G H1 1 12 G H1 1 1
34 1 2 2 2 5 A H1' 1 13 A H1' 1 1
35 1 1 2 2 4 G H1' 1 12 G H1' 1 1
35 1 2 2 2 4 G H8 1 12 G H8 1 1
36 1 1 2 2 4 G H1' 1 12 G H1' 1 1
36 1 2 2 2 5 A H8 1 13 A H8 1 1
37 1 1 2 2 5 A H1' 1 13 A H1' 1 1
37 1 2 2 2 5 A H2 1 13 A H2 1 1
38 1 1 2 2 5 A H1' 1 13 A H1' 1 1
38 1 2 2 2 5 A H8 1 13 A H8 1 1
39 1 1 2 2 5 A H1' 1 13 A H1' 1 1
39 1 2 2 2 6 C H6 1 14 C H6 1 1
40 1 1 2 2 5 A H2 1 13 A H2 1 1
40 1 2 2 2 6 C H1' 1 14 C H1' 1 1
41 1 1 2 2 5 A H2' 1 13 A H2' 1 1
41 1 2 2 2 6 C H1' 1 14 C H1' 1 1
42 1 1 2 2 5 A H2' 1 13 A H2' 1 1
42 1 2 2 2 6 C H5 1 14 C H5 1 1
43 1 1 2 2 5 A H8 1 13 A H8 1 1
43 1 2 2 2 6 C H5 1 14 C H5 1 1
44 1 1 2 2 5 A H8 1 13 A H8 1 1
44 1 2 2 2 6 C H6 1 14 C H6 1 1
45 1 1 2 2 6 C H1' 1 14 C H1' 1 1
45 1 2 2 2 6 C H6 1 14 C H6 1 1
46 1 1 2 2 6 C Q5' 1 14 C H5'1 1 1
46 1 2 2 2 6 C H6 1 14 C 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 . . . . . . 2.87 3.17 1 1
2 1 . . . . . . 3.23 3.78 1 1
3 1 . . . . . . 3.3 4.4 1 1
4 1 . . . . . . 3.41 4.21 1 1
5 1 . . . . . . 4.49 5.07 1 1
6 1 . . . . . . 2.55 2.9 1 1
7 1 . . . . . . 3.31 3.75 1 1
8 1 . . . . . . 2.81 3.18 1 1
9 1 . . . . . . 2.95 4.4 1 1
10 1 . . . . . . 3.36 4.39 1 1
11 1 . . . . . . 3.41 5.28 1 1
12 1 . . . . . . 3.33 6.05 1 1
13 1 . . . . . . 3.23 3.57 1 1
14 1 . . . . . . 3.42 4.77 1 1
15 1 . . . . . . 2.17 2.49 1 1
16 1 . . . . . . 2.27 2.98 1 1
17 1 . . . . . . 3.32 3.95 1 1
18 1 . . . . . . 2.94 5.6 1 1
19 1 . . . . . . 2.51 3.72 1 1
20 1 . . . . . . 3.04 3.36 1 1
21 1 . . . . . . 3.15 3.83 1 1
22 1 . . . . . . 2.3 4.65 1 1
23 1 . . . . . . 2.26 2.6 1 1
24 1 . . . . . . 3.85 5.12 1 1
25 1 . . . . . . 4.08 10.0 1 1
26 1 . . . . . . 2.34 2.7 1 1
27 1 . . . . . . 3.35 4.59 1 1
28 1 . . . . . . 2.81 3.54 1 1
29 1 . . . . . . 3.02 3.45 1 1
30 1 . . . . . . 3.35 3.74 1 1
31 1 . . . . . . 2.3 2.58 1 1
32 1 . . . . . . 1.8 7.3 1 1
33 1 . . . . . . 1.8 5.79 1 1
34 1 . . . . . . 1.8 4.42 1 1
35 1 . . . . . . 3.5 3.92 1 1
36 1 . . . . . . 3.16 3.98 1 1
37 1 . . . . . . 4.35 4.92 1 1
38 1 . . . . . . 3.38 3.81 1 1
39 1 . . . . . . 3.48 4.75 1 1
40 1 . . . . . . 2.93 3.47 1 1
41 1 . . . . . . 3.17 4.32 1 1
42 1 . . . . . . 2.8 4.48 1 1
43 1 . . . . . . 3.94 4.65 1 1
44 1 . . . . . . 3.74 5.23 1 1
45 1 . . . . . . 3.23 3.57 1 1
46 1 . . . . . . 2.86 3.57 1 1
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 . 2 2 1 C O5' 2 2 1 C C5' 2 2 1 C C4' 2 2 1 C C3' 20.0 100.0 1 9 C O5' 1 9 C C5' 1 9 C C4' 1 9 C C3' 1 1
2 . 2 2 1 C C4' 2 2 1 C C3' 2 2 1 C O3' 2 2 2 C P 110.0 220.0 1 9 C C4' 1 9 C C3' 1 9 C O3' 1 10 C P 1 1
3 . 2 2 1 C C3' 2 2 1 C O3' 2 2 2 C P 2 2 2 C O5' -120.0 120.0 1 9 C C3' 1 9 C O3' 1 10 C P 1 10 C O5' 1 1
4 . 2 2 1 C O3' 2 2 2 C P 2 2 2 C O5' 2 2 2 C C5' -120.0 120.0 1 9 C O3' 1 10 C P 1 10 C O5' 1 10 C C5' 1 1
5 . 2 2 2 C C3' 2 2 2 C O3' 2 2 3 U P 2 2 3 U O5' -120.0 120.0 1 10 C C3' 1 10 C O3' 1 11 U P 1 11 U O5' 1 1
6 . 2 2 2 C O3' 2 2 3 U P 2 2 3 U O5' 2 2 3 U C5' -120.0 120.0 1 10 C O3' 1 11 U P 1 11 U O5' 1 11 U C5' 1 1
7 . 2 2 2 C C4' 2 2 2 C C3' 2 2 2 C O3' 2 2 3 U P 100.0 240.0 1 10 C C4' 1 10 C C3' 1 10 C O3' 1 11 U P 1 1
8 . 2 2 3 U C3' 2 2 3 U O3' 2 2 4 G P 2 2 4 G O5' -120.0 120.0 1 11 U C3' 1 11 U O3' 1 12 G P 1 12 G O5' 1 1
9 . 2 2 3 U O3' 2 2 4 G P 2 2 4 G O5' 2 2 4 G C5' -120.0 120.0 1 11 U O3' 1 12 G P 1 12 G O5' 1 12 G C5' 1 1
10 . 2 2 3 U C4' 2 2 3 U C3' 2 2 3 U O3' 2 2 4 G P 100.0 240.0 1 11 U C4' 1 11 U C3' 1 11 U O3' 1 12 G P 1 1
11 . 2 2 4 G C3' 2 2 4 G O3' 2 2 5 A P 2 2 5 A O5' -120.0 120.0 1 12 G C3' 1 12 G O3' 1 13 A P 1 13 A O5' 1 1
12 . 2 2 4 G O3' 2 2 5 A P 2 2 5 A O5' 2 2 5 A C5' -120.0 120.0 1 12 G O3' 1 13 A P 1 13 A O5' 1 13 A C5' 1 1
13 . 2 2 4 G P 2 2 4 G O5' 2 2 4 G C5' 2 2 4 G C4' 89.99999 270.0 1 12 G P 1 12 G O5' 1 12 G C5' 1 12 G C4' 1 1
14 . 2 2 4 G C4' 2 2 4 G C3' 2 2 4 G O3' 2 2 5 A P 120.0 210.0 1 12 G C4' 1 12 G C3' 1 12 G O3' 1 13 A P 1 1
15 . 2 2 5 A C3' 2 2 5 A O3' 2 2 6 C P 2 2 6 C O5' -120.0 120.0 1 13 A C3' 1 13 A O3' 1 14 C P 1 14 C O5' 1 1
16 . 2 2 5 A O3' 2 2 6 C P 2 2 6 C O5' 2 2 6 C C5' -120.0 120.0 1 13 A O3' 1 14 C P 1 14 C O5' 1 14 C C5' 1 1
17 . 2 2 5 A C4' 2 2 5 A C3' 2 2 5 A O3' 2 2 6 C P 100.0 240.0 1 13 A C4' 1 13 A C3' 1 13 A O3' 1 14 C P 1 1
18 . 2 2 6 C P 2 2 6 C O5' 2 2 6 C C5' 2 2 6 C C4' 130.0 230.00002 1 14 C P 1 14 C O5' 1 14 C C5' 1 14 C C4' 1 1
19 . 2 2 6 C O5' 2 2 6 C C5' 2 2 6 C C4' 2 2 6 C C3' 20.0 100.0 1 14 C O5' 1 14 C C5' 1 14 C C4' 1 14 C C3' 1 1
20 . 1 1 1 DG C3' 1 1 1 DG O3' 1 1 2 SC P 1 1 2 SC O5' -120.0 120.0 1 15 G C3' 1 15 G O3' 1 16 C P 1 16 C O5' 1 1
21 . 1 1 1 DG O3' 1 1 2 SC P 1 1 2 SC O5' 1 1 2 SC C5' -120.0 120.0 1 15 G O3' 1 16 C P 1 16 C O5' 1 16 C C5' 1 1
22 . 1 1 1 DG C4' 1 1 1 DG C3' 1 1 1 DG O3' 1 1 2 SC P 100.0 240.0 1 15 G C4' 1 15 G C3' 1 15 G O3' 1 16 C P 1 1
23 . 1 1 1 DG O5' 1 1 1 DG C5' 1 1 1 DG C4' 1 1 1 DG C3' 20.0 100.0 1 15 G O5' 1 15 G C5' 1 15 G C4' 1 15 G C3' 1 1
24 . 2 2 2 C O4' 2 2 2 C C1' 2 2 2 C C2' 2 2 2 C C3' -33.3 -18.3 1 10 C O4' 1 10 C C1' 1 10 C C2' 1 10 C C3' 1 1
25 . 2 2 2 C C1' 2 2 2 C C2' 2 2 2 C C3' 2 2 2 C C4' 29.8 44.8 1 10 C C1' 1 10 C C2' 1 10 C C3' 1 10 C C4' 1 1
26 . 2 2 2 C C2' 2 2 2 C C3' 2 2 2 C C4' 2 2 2 C O4' -43.7 -28.7 1 10 C C2' 1 10 C C3' 1 10 C C4' 1 10 C O4' 1 1
27 . 2 2 2 C C3' 2 2 2 C C4' 2 2 2 C O4' 2 2 2 C C1' 13.2 28.3 1 10 C C3' 1 10 C C4' 1 10 C O4' 1 10 C C1' 1 1
28 . 2 2 2 C C4' 2 2 2 C O4' 2 2 2 C C1' 2 2 2 C C2' -4.2 10.8 1 10 C C4' 1 10 C O4' 1 10 C C1' 1 10 C C2' 1 1
29 . 2 2 3 U O4' 2 2 3 U C1' 2 2 3 U C2' 2 2 3 U C3' -33.3 -18.3 1 11 U O4' 1 11 U C1' 1 11 U C2' 1 11 U C3' 1 1
30 . 2 2 3 U C1' 2 2 3 U C2' 2 2 3 U C3' 2 2 3 U C4' 29.8 44.8 1 11 U C1' 1 11 U C2' 1 11 U C3' 1 11 U C4' 1 1
31 . 2 2 3 U C2' 2 2 3 U C3' 2 2 3 U C4' 2 2 3 U O4' -43.7 -28.7 1 11 U C2' 1 11 U C3' 1 11 U C4' 1 11 U O4' 1 1
32 . 2 2 3 U C3' 2 2 3 U C4' 2 2 3 U O4' 2 2 3 U C1' 13.2 28.3 1 11 U C3' 1 11 U C4' 1 11 U O4' 1 11 U C1' 1 1
33 . 2 2 3 U C4' 2 2 3 U O4' 2 2 3 U C1' 2 2 3 U C2' -4.2 10.8 1 11 U C4' 1 11 U O4' 1 11 U C1' 1 11 U C2' 1 1
34 . 2 2 4 G O4' 2 2 4 G C1' 2 2 4 G C2' 2 2 4 G C3' -33.3 -18.3 1 12 G O4' 1 12 G C1' 1 12 G C2' 1 12 G C3' 1 1
35 . 2 2 4 G C1' 2 2 4 G C2' 2 2 4 G C3' 2 2 4 G C4' 29.8 44.8 1 12 G C1' 1 12 G C2' 1 12 G C3' 1 12 G C4' 1 1
36 . 2 2 4 G C2' 2 2 4 G C3' 2 2 4 G C4' 2 2 4 G O4' -43.7 -28.7 1 12 G C2' 1 12 G C3' 1 12 G C4' 1 12 G O4' 1 1
37 . 2 2 4 G C3' 2 2 4 G C4' 2 2 4 G O4' 2 2 4 G C1' 13.2 28.3 1 12 G C3' 1 12 G C4' 1 12 G O4' 1 12 G C1' 1 1
38 . 2 2 4 G C4' 2 2 4 G O4' 2 2 4 G C1' 2 2 4 G C2' -4.2 10.8 1 12 G C4' 1 12 G O4' 1 12 G C1' 1 12 G C2' 1 1
39 . 2 2 5 A O4' 2 2 5 A C1' 2 2 5 A C2' 2 2 5 A C3' -33.3 -18.3 1 13 A O4' 1 13 A C1' 1 13 A C2' 1 13 A C3' 1 1
40 . 2 2 5 A C1' 2 2 5 A C2' 2 2 5 A C3' 2 2 5 A C4' 29.8 44.8 1 13 A C1' 1 13 A C2' 1 13 A C3' 1 13 A C4' 1 1
41 . 2 2 5 A C2' 2 2 5 A C3' 2 2 5 A C4' 2 2 5 A O4' -43.7 -28.7 1 13 A C2' 1 13 A C3' 1 13 A C4' 1 13 A O4' 1 1
42 . 2 2 5 A C3' 2 2 5 A C4' 2 2 5 A O4' 2 2 5 A C1' 13.2 28.3 1 13 A C3' 1 13 A C4' 1 13 A O4' 1 13 A C1' 1 1
43 . 2 2 5 A C4' 2 2 5 A O4' 2 2 5 A C1' 2 2 5 A C2' -4.2 10.8 1 13 A C4' 1 13 A O4' 1 13 A C1' 1 13 A C2' 1 1
44 . 2 2 6 C O4' 2 2 6 C C1' 2 2 6 C C2' 2 2 6 C C3' -33.3 -18.3 1 14 C O4' 1 14 C C1' 1 14 C C2' 1 14 C C3' 1 1
45 . 2 2 6 C C1' 2 2 6 C C2' 2 2 6 C C3' 2 2 6 C C4' 29.8 44.8 1 14 C C1' 1 14 C C2' 1 14 C C3' 1 14 C C4' 1 1
46 . 2 2 6 C C2' 2 2 6 C C3' 2 2 6 C C4' 2 2 6 C O4' -43.7 -28.7 1 14 C C2' 1 14 C C3' 1 14 C C4' 1 14 C O4' 1 1
47 . 2 2 6 C C3' 2 2 6 C C4' 2 2 6 C O4' 2 2 6 C C1' 13.2 28.3 1 14 C C3' 1 14 C C4' 1 14 C O4' 1 14 C C1' 1 1
48 . 2 2 6 C C4' 2 2 6 C O4' 2 2 6 C C1' 2 2 6 C C2' -4.2 10.8 1 14 C C4' 1 14 C O4' 1 14 C C1' 1 14 C C2' 1 1
49 . 1 1 1 DG O4' 1 1 1 DG C1' 1 1 1 DG C2' 1 1 1 DG C3' -33.3 -18.3 1 15 G O4' 1 15 G C1' 1 15 G C2' 1 15 G C3' 1 1
50 . 1 1 1 DG C1' 1 1 1 DG C2' 1 1 1 DG C3' 1 1 1 DG C4' 29.8 44.8 1 15 G C1' 1 15 G C2' 1 15 G C3' 1 15 G C4' 1 1
51 . 1 1 1 DG C2' 1 1 1 DG C3' 1 1 1 DG C4' 1 1 1 DG O4' -43.7 -28.7 1 15 G C2' 1 15 G C3' 1 15 G C4' 1 15 G O4' 1 1
52 . 1 1 1 DG C3' 1 1 1 DG C4' 1 1 1 DG O4' 1 1 1 DG C1' 13.2 28.3 1 15 G C3' 1 15 G C4' 1 15 G O4' 1 15 G C1' 1 1
53 . 1 1 1 DG C4' 1 1 1 DG O4' 1 1 1 DG C1' 1 1 1 DG C2' -4.2 10.8 1 15 G C4' 1 15 G O4' 1 15 G C1' 1 15 G C2' 1 1
54 . 2 2 1 C O4' 2 2 1 C C1' 2 2 1 C C2' 2 2 1 C C3' -33.3 -18.3 1 9 C O4' 1 9 C C1' 1 9 C C2' 1 9 C C3' 1 1
55 . 2 2 1 C C1' 2 2 1 C C2' 2 2 1 C C3' 2 2 1 C C4' 29.8 44.8 1 9 C C1' 1 9 C C2' 1 9 C C3' 1 9 C C4' 1 1
56 . 2 2 1 C C2' 2 2 1 C C3' 2 2 1 C C4' 2 2 1 C O4' -43.7 -28.7 1 9 C C2' 1 9 C C3' 1 9 C C4' 1 9 C O4' 1 1
57 . 2 2 1 C C3' 2 2 1 C C4' 2 2 1 C O4' 2 2 1 C C1' 13.2 28.3 1 9 C C3' 1 9 C C4' 1 9 C O4' 1 9 C C1' 1 1
58 . 2 2 1 C C4' 2 2 1 C O4' 2 2 1 C C1' 2 2 1 C C2' -4.2 10.8 1 9 C C4' 1 9 C O4' 1 9 C C1' 1 9 C C2' 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 DG C1' C -5.411 9.772 -0.150 1.00 . A A . 1 DG C1' 1 1
1 2 1 1 1 DG C2 C -2.235 10.070 -3.184 1.00 . A A . 1 DG C2 1 1
1 3 1 1 1 DG C2' C -6.129 8.429 -0.060 1.00 . A A . 1 DG C2' 1 1
1 4 1 1 1 DG C3' C -7.435 8.798 0.636 1.00 . A A . 1 DG C3' 1 1
1 5 1 1 1 DG C4 C -3.044 9.703 -1.108 1.00 . A A . 1 DG C4 1 1
1 6 1 1 1 DG C4' C -6.972 9.921 1.566 1.00 . A A . 1 DG C4' 1 1
1 7 1 1 1 DG C5 C -1.800 9.492 -0.560 1.00 . A A . 1 DG C5 1 1
1 8 1 1 1 DG C5' C -6.530 9.375 2.930 1.00 . A A . 1 DG C5' 1 1
1 9 1 1 1 DG C6 C -0.641 9.566 -1.387 1.00 . A A . 1 DG C6 1 1
1 10 1 1 1 DG C8 C -3.180 9.318 1.036 1.00 . A A . 1 DG C8 1 1
1 11 1 1 1 DG H1 H -0.171 9.946 -3.353 1.00 . A A . 1 DG H1 1 1
1 12 1 1 1 DG H1' H -5.695 10.269 -1.079 1.00 . A A . 1 DG H1' 1 1
1 13 1 1 1 DG H2' H -5.569 7.740 0.573 1.00 . A A . 1 DG H2' 1 1
1 14 1 1 1 DG H2'' H -6.265 7.988 -1.042 1.00 . A A . 1 DG H2'' 1 1
1 15 1 1 1 DG H21 H -1.556 10.405 -5.081 1.00 . A A . 1 DG H21 1 1
1 16 1 1 1 DG H22 H -3.292 10.475 -4.876 1.00 . A A . 1 DG H22 1 1
1 17 1 1 1 DG H3' H -7.837 7.956 1.197 1.00 . A A . 1 DG H3' 1 1
1 18 1 1 1 DG H4' H -7.773 10.646 1.722 1.00 . A A . 1 DG H4' 1 1
1 19 1 1 1 DG H5' H -5.739 8.639 2.798 1.00 . A A . 1 DG H5' 1 1
1 20 1 1 1 DG H5'' H -6.156 10.195 3.543 1.00 . A A . 1 DG H5'' 1 1
1 21 1 1 1 DG H8 H -3.595 9.179 2.022 1.00 . A A . 1 DG H8 1 1
1 22 1 1 1 DG HO5' H -8.088 9.428 4.098 1.00 . A A . 1 DG HO5' 1 1
1 23 1 1 1 DG N1 N -0.950 9.873 -2.710 1.00 . A A . 1 DG N1 1 1
1 24 1 1 1 DG N2 N -2.371 10.346 -4.485 1.00 . A A . 1 DG N2 1 1
1 25 1 1 1 DG N3 N -3.329 9.983 -2.409 1.00 . A A . 1 DG N3 1 1
1 26 1 1 1 DG N7 N -1.902 9.242 0.802 1.00 . A A . 1 DG N7 1 1
1 27 1 1 1 DG N9 N -3.943 9.594 -0.071 1.00 . A A . 1 DG N9 1 1
1 28 1 1 1 DG O3' O -8.411 9.328 -0.245 1.00 . A A . 1 DG O3' 1 1
1 29 1 1 1 DG O4' O -5.871 10.559 0.937 1.00 . A A . 1 DG O4' 1 1
1 30 1 1 1 DG O5' O -7.606 8.759 3.606 1.00 . A A . 1 DG O5' 1 1
1 31 1 1 1 DG O6 O 0.528 9.398 -1.054 1.00 . A A . 1 DG O6 1 1
1 32 1 1 2 SC C1' C -5.301 7.212 -4.720 1.00 . A A . 2 SC C1' 1 1
1 33 1 1 2 SC C2 C -2.868 7.058 -4.230 1.00 . A A . 2 SC C2 1 1
1 34 1 1 2 SC C2' C -5.924 5.922 -5.265 1.00 . A A . 2 SC C2' 1 1
1 35 1 1 2 SC C3' C -7.301 5.878 -4.615 1.00 . A A . 2 SC C3' 1 1
1 36 1 1 2 SC C4 C -2.085 6.384 -2.112 1.00 . A A . 2 SC C4 1 1
1 37 1 1 2 SC C4' C -7.570 7.373 -4.537 1.00 . A A . 2 SC C4' 1 1
1 38 1 1 2 SC C5 C -3.425 6.144 -1.654 1.00 . A A . 2 SC C5 1 1
1 39 1 1 2 SC C5' C -8.767 7.720 -3.646 1.00 . A A . 2 SC C5' 1 1
1 40 1 1 2 SC C6 C -4.429 6.412 -2.523 1.00 . A A . 2 SC C6 1 1
1 41 1 1 2 SC H1' H -4.977 7.826 -5.561 1.00 . A A . 2 SC H1' 1 1
1 42 1 1 2 SC H2' H -5.340 5.042 -5.015 1.00 . A A . 2 SC H2' 1 1
1 43 1 1 2 SC H2'' H -6.027 6.009 -6.347 1.00 . A A . 2 SC H2'' 1 1
1 44 1 1 2 SC H3' H -7.246 5.464 -3.608 1.00 . A A . 2 SC H3' 1 1
1 45 1 1 2 SC H4' H -7.764 7.742 -5.545 1.00 . A A . 2 SC H4' 1 1
1 46 1 1 2 SC H5 H -3.657 5.760 -0.672 1.00 . A A . 2 SC H5 1 1
1 47 1 1 2 SC H5' H -9.221 8.637 -4.022 1.00 . A A . 2 SC H5' 1 1
1 48 1 1 2 SC H5'' H -9.504 6.916 -3.682 1.00 . A A . 2 SC H5'' 1 1
1 49 1 1 2 SC H6 H -5.446 6.223 -2.218 1.00 . A A . 2 SC H6 1 1
1 50 1 1 2 SC HN41 H -1.209 5.885 -0.339 1.00 . A A . 2 SC HN41 1 1
1 51 1 1 2 SC HN42 H -0.109 6.372 -1.608 1.00 . A A . 2 SC HN42 1 1
1 52 1 1 2 SC N1 N -4.182 6.903 -3.783 1.00 . A A . 2 SC N1 1 1
1 53 1 1 2 SC N3 N -1.846 6.808 -3.362 1.00 . A A . 2 SC N3 1 1
1 54 1 1 2 SC N4 N -1.051 6.200 -1.285 1.00 . A A . 2 SC N4 1 1
1 55 1 1 2 SC O2 O -2.629 7.418 -5.379 1.00 . A A . 2 SC O2 1 1
1 56 1 1 2 SC O3' O -8.276 5.236 -5.418 1.00 . A A . 2 SC O3' 1 1
1 57 1 1 2 SC O4' O -6.348 7.920 -4.073 1.00 . A A . 2 SC O4' 1 1
1 58 1 1 2 SC O5' O -8.344 7.912 -2.315 1.00 . A A . 2 SC O5' 1 1
1 59 1 1 2 SC OP1 O -10.371 9.283 -1.785 1.00 . A A . 2 SC OP1 1 1
1 60 1 1 2 SC P P -9.361 8.396 -1.165 1.00 . A A . 2 SC P 1 1
1 61 1 1 2 SC S2P S -9.968 6.663 -0.083 1.00 . A A . 2 SC S2P 1 1
1 62 1 1 3 GS C1' C -3.254 3.230 -7.232 1.00 . A A . 3 GS C1' 1 1
1 63 1 1 3 GS C2 C 0.917 3.288 -5.901 1.00 . A A . 3 GS C2 1 1
1 64 1 1 3 GS C2' C -3.433 1.797 -7.731 1.00 . A A . 3 GS C2' 1 1
1 65 1 1 3 GS C3' C -4.939 1.577 -7.760 1.00 . A A . 3 GS C3' 1 1
1 66 1 1 3 GS C4 C -1.318 3.315 -5.585 1.00 . A A . 3 GS C4 1 1
1 67 1 1 3 GS C4' C -5.401 3.011 -8.006 1.00 . A A . 3 GS C4' 1 1
1 68 1 1 3 GS C5 C -1.222 3.455 -4.223 1.00 . A A . 3 GS C5 1 1
1 69 1 1 3 GS C5' C -6.863 3.264 -7.630 1.00 . A A . 3 GS C5' 1 1
1 70 1 1 3 GS C6 C 0.064 3.556 -3.613 1.00 . A A . 3 GS C6 1 1
1 71 1 1 3 GS C8 C -3.287 3.249 -4.652 1.00 . A A . 3 GS C8 1 1
1 72 1 1 3 GS H1' H -2.615 3.775 -7.927 1.00 . A A . 3 GS H1' 1 1
1 73 1 1 3 GS H2' H -2.952 1.083 -7.076 1.00 . A A . 3 GS H2' 1 1
1 74 1 1 3 GS H2'' H -3.022 1.724 -8.738 1.00 . A A . 3 GS H2'' 1 1
1 75 1 1 3 GS H3' H -5.295 1.233 -6.788 1.00 . A A . 3 GS H3' 1 1
1 76 1 1 3 GS H4' H -5.251 3.252 -9.060 1.00 . A A . 3 GS H4' 1 1
1 77 1 1 3 GS H5' H -7.142 4.262 -7.970 1.00 . A A . 3 GS H5' 1 1
1 78 1 1 3 GS H5'' H -7.496 2.527 -8.126 1.00 . A A . 3 GS H5'' 1 1
1 79 1 1 3 GS H8 H -4.353 3.140 -4.531 1.00 . A A . 3 GS H8 1 1
1 80 1 1 3 GS HN1 H 2.040 3.473 -4.168 1.00 . A A . 3 GS HN1 1 1
1 81 1 1 3 GS HN21 H 1.927 3.057 -7.654 1.00 . A A . 3 GS HN21 1 1
1 82 1 1 3 GS HN22 H 2.929 3.185 -6.222 1.00 . A A . 3 GS HN22 1 1
1 83 1 1 3 GS N1 N 1.098 3.444 -4.540 1.00 . A A . 3 GS N1 1 1
1 84 1 1 3 GS N2 N 2.015 3.174 -6.655 1.00 . A A . 3 GS N2 1 1
1 85 1 1 3 GS N3 N -0.294 3.233 -6.479 1.00 . A A . 3 GS N3 1 1
1 86 1 1 3 GS N7 N -2.482 3.393 -3.638 1.00 . A A . 3 GS N7 1 1
1 87 1 1 3 GS N9 N -2.661 3.263 -5.874 1.00 . A A . 3 GS N9 1 1
1 88 1 1 3 GS O3' O -5.327 0.719 -8.822 1.00 . A A . 3 GS O3' 1 1
1 89 1 1 3 GS O4' O -4.539 3.822 -7.231 1.00 . A A . 3 GS O4' 1 1
1 90 1 1 3 GS O5' O -7.032 3.169 -6.227 1.00 . A A . 3 GS O5' 1 1
1 91 1 1 3 GS O6 O 0.324 3.708 -2.425 1.00 . A A . 3 GS O6 1 1
1 92 1 1 3 GS OP1 O -9.521 3.327 -6.441 1.00 . A A . 3 GS OP1 1 1
1 93 1 1 3 GS P P -8.407 3.626 -5.514 1.00 . A A . 3 GS P 1 1
1 94 1 1 3 GS S2P S -8.410 2.828 -3.539 1.00 . A A . 3 GS S2P 1 1
1 95 1 1 4 PST C1' C 0.066 -0.515 -7.410 1.00 . A A . 4 PST C1' 1 1
1 96 1 1 4 PST C2 C 0.564 0.065 -5.060 1.00 . A A . 4 PST C2 1 1
1 97 1 1 4 PST C2' C 0.372 -1.977 -7.720 1.00 . A A . 4 PST C2' 1 1
1 98 1 1 4 PST C3' C -0.850 -2.450 -8.494 1.00 . A A . 4 PST C3' 1 1
1 99 1 1 4 PST C4 C -1.244 0.298 -3.386 1.00 . A A . 4 PST C4 1 1
1 100 1 1 4 PST C4' C -1.210 -1.157 -9.229 1.00 . A A . 4 PST C4' 1 1
1 101 1 1 4 PST C5 C -2.145 -0.242 -4.387 1.00 . A A . 4 PST C5 1 1
1 102 1 1 4 PST C5' C -2.663 -1.084 -9.717 1.00 . A A . 4 PST C5' 1 1
1 103 1 1 4 PST C5M C -3.619 -0.399 -4.068 1.00 . A A . 4 PST C5M 1 1
1 104 1 1 4 PST C6 C -1.686 -0.563 -5.623 1.00 . A A . 4 PST C6 1 1
1 105 1 1 4 PST H1' H 0.951 0.087 -7.618 1.00 . A A . 4 PST H1' 1 1
1 106 1 1 4 PST H2' H 0.532 -2.556 -6.817 1.00 . A A . 4 PST H2' 1 1
1 107 1 1 4 PST H2'' H 1.255 -2.026 -8.357 1.00 . A A . 4 PST H2'' 1 1
1 108 1 1 4 PST H3' H -1.652 -2.728 -7.809 1.00 . A A . 4 PST H3' 1 1
1 109 1 1 4 PST H4' H -0.536 -1.040 -10.080 1.00 . A A . 4 PST H4' 1 1
1 110 1 1 4 PST H5' H -2.803 -0.151 -10.264 1.00 . A A . 4 PST H5' 1 1
1 111 1 1 4 PST H5'' H -2.862 -1.921 -10.387 1.00 . A A . 4 PST H5'' 1 1
1 112 1 1 4 PST H6 H -2.377 -0.975 -6.340 1.00 . A A . 4 PST H6 1 1
1 113 1 1 4 PST H71 H -3.789 -1.357 -3.576 1.00 . A A . 4 PST H71 1 1
1 114 1 1 4 PST H72 H -4.214 -0.353 -4.980 1.00 . A A . 4 PST H72 1 1
1 115 1 1 4 PST H73 H -3.945 0.406 -3.409 1.00 . A A . 4 PST H73 1 1
1 116 1 1 4 PST HN3 H 0.758 0.689 -3.123 1.00 . A A . 4 PST HN3 1 1
1 117 1 1 4 PST N1 N -0.377 -0.355 -5.996 1.00 . A A . 4 PST N1 1 1
1 118 1 1 4 PST N3 N 0.076 0.378 -3.801 1.00 . A A . 4 PST N3 1 1
1 119 1 1 4 PST O2 O 1.763 0.162 -5.310 1.00 . A A . 4 PST O2 1 1
1 120 1 1 4 PST O3' O -0.515 -3.503 -9.382 1.00 . A A . 4 PST O3' 1 1
1 121 1 1 4 PST O4 O -1.555 0.658 -2.254 1.00 . A A . 4 PST O4 1 1
1 122 1 1 4 PST O4' O -0.951 -0.109 -8.312 1.00 . A A . 4 PST O4' 1 1
1 123 1 1 4 PST O5' O -3.548 -1.130 -8.611 1.00 . A A . 4 PST O5' 1 1
1 124 1 1 4 PST OP1 O -5.558 -1.438 -10.075 1.00 . A A . 4 PST OP1 1 1
1 125 1 1 4 PST P P -5.141 -0.892 -8.765 1.00 . A A . 4 PST P 1 1
1 126 1 1 4 PST SP S -6.056 -1.600 -6.976 1.00 . A A . 4 PST SP 1 1
1 127 1 1 5 SC C1' C 3.259 -3.905 -4.835 1.00 . A A . 5 SC C1' 1 1
1 128 1 1 5 SC C2 C 2.507 -3.067 -2.627 1.00 . A A . 5 SC C2 1 1
1 129 1 1 5 SC C2' C 3.544 -5.396 -4.669 1.00 . A A . 5 SC C2' 1 1
1 130 1 1 5 SC C3' C 2.901 -6.025 -5.895 1.00 . A A . 5 SC C3' 1 1
1 131 1 1 5 SC C4 C 0.239 -2.594 -2.207 1.00 . A A . 5 SC C4 1 1
1 132 1 1 5 SC C4' C 3.143 -4.907 -6.911 1.00 . A A . 5 SC C4' 1 1
1 133 1 1 5 SC C5 C -0.150 -3.143 -3.474 1.00 . A A . 5 SC C5 1 1
1 134 1 1 5 SC C5' C 2.257 -4.986 -8.161 1.00 . A A . 5 SC C5' 1 1
1 135 1 1 5 SC C6 C 0.844 -3.584 -4.280 1.00 . A A . 5 SC C6 1 1
1 136 1 1 5 SC H1' H 4.171 -3.339 -4.642 1.00 . A A . 5 SC H1' 1 1
1 137 1 1 5 SC H2' H 3.123 -5.791 -3.751 1.00 . A A . 5 SC H2' 1 1
1 138 1 1 5 SC H2'' H 4.622 -5.555 -4.691 1.00 . A A . 5 SC H2'' 1 1
1 139 1 1 5 SC H3' H 1.831 -6.155 -5.732 1.00 . A A . 5 SC H3' 1 1
1 140 1 1 5 SC H4' H 4.193 -4.923 -7.210 1.00 . A A . 5 SC H4' 1 1
1 141 1 1 5 SC H5 H -1.177 -3.226 -3.799 1.00 . A A . 5 SC H5 1 1
1 142 1 1 5 SC H5' H 2.473 -4.134 -8.808 1.00 . A A . 5 SC H5' 1 1
1 143 1 1 5 SC H5'' H 2.488 -5.906 -8.698 1.00 . A A . 5 SC H5'' 1 1
1 144 1 1 5 SC H6 H 0.579 -4.037 -5.222 1.00 . A A . 5 SC H6 1 1
1 145 1 1 5 SC HN41 H -1.665 -2.124 -1.648 1.00 . A A . 5 SC HN41 1 1
1 146 1 1 5 SC HN42 H -0.426 -1.759 -0.471 1.00 . A A . 5 SC HN42 1 1
1 147 1 1 5 SC N1 N 2.165 -3.490 -3.913 1.00 . A A . 5 SC N1 1 1
1 148 1 1 5 SC N3 N 1.521 -2.597 -1.811 1.00 . A A . 5 SC N3 1 1
1 149 1 1 5 SC N4 N -0.695 -2.131 -1.371 1.00 . A A . 5 SC N4 1 1
1 150 1 1 5 SC O2 O 3.667 -3.130 -2.226 1.00 . A A . 5 SC O2 1 1
1 151 1 1 5 SC O3' O 3.541 -7.242 -6.240 1.00 . A A . 5 SC O3' 1 1
1 152 1 1 5 SC O4' O 2.901 -3.707 -6.196 1.00 . A A . 5 SC O4' 1 1
1 153 1 1 5 SC O5' O 0.889 -4.977 -7.790 1.00 . A A . 5 SC O5' 1 1
1 154 1 1 5 SC OP1 O 0.152 -5.830 -10.032 1.00 . A A . 5 SC OP1 1 1
1 155 1 1 5 SC P P -0.310 -5.030 -8.875 1.00 . A A . 5 SC P 1 1
1 156 1 1 5 SC S2P S -2.064 -5.600 -7.808 1.00 . A A . 5 SC S2P 1 1
1 157 1 1 6 . C1' C 3.676 -6.769 -0.412 1.00 . A A . 6 AS C1' 1 1
1 158 1 1 6 . C2 C 1.482 -4.855 2.832 1.00 . A A . 6 AS C2 1 1
1 159 1 1 6 . C2' C 3.477 -8.218 0.011 1.00 . A A . 6 AS C2' 1 1
1 160 1 1 6 . C3' C 4.149 -9.059 -1.066 1.00 . A A . 6 AS C3' 1 1
1 161 1 1 6 . C4 C 1.778 -5.551 0.745 1.00 . A A . 6 AS C4 1 1
1 162 1 1 6 . C4' C 4.895 -8.016 -1.905 1.00 . A A . 6 AS C4' 1 1
1 163 1 1 6 . C5 C 0.533 -5.127 0.356 1.00 . A A . 6 AS C5 1 1
1 164 1 1 6 . C5' C 4.916 -8.361 -3.402 1.00 . A A . 6 AS C5' 1 1
1 165 1 1 6 . C6 C -0.250 -4.500 1.345 1.00 . A A . 6 AS C6 1 1
1 166 1 1 6 . C8 C 1.398 -6.039 -1.345 1.00 . A A . 6 AS C8 1 1
1 167 1 1 6 . H1' H 4.394 -6.282 0.252 1.00 . A A . 6 AS H1' 1 1
1 168 1 1 6 . H2 H 1.836 -4.732 3.845 1.00 . A A . 6 AS H2 1 1
1 169 1 1 6 . H2' H 2.422 -8.484 0.035 1.00 . A A . 6 AS H2' 1 1
1 170 1 1 6 . H2'' H 3.926 -8.344 0.992 1.00 . A A . 6 AS H2'' 1 1
1 171 1 1 6 . H3' H 3.379 -9.526 -1.680 1.00 . A A . 6 AS H3' 1 1
1 172 1 1 6 . H4' H 5.912 -7.906 -1.526 1.00 . A A . 6 AS H4' 1 1
1 173 1 1 6 . H5' H 5.521 -7.625 -3.932 1.00 . A A . 6 AS H5' 1 1
1 174 1 1 6 . H5'' H 5.358 -9.349 -3.534 1.00 . A A . 6 AS H5'' 1 1
1 175 1 1 6 . H8 H 1.527 -6.454 -2.332 1.00 . A A . 6 AS H8 1 1
1 176 1 1 6 . HN61 H -1.879 -4.132 0.186 1.00 . A A . 6 AS HN61 1 1
1 177 1 1 6 . HN62 H -1.994 -3.566 1.843 1.00 . A A . 6 AS HN62 1 1
1 178 1 1 6 . N1 N 0.266 -4.376 2.583 1.00 . A A . 6 AS N1 1 1
1 179 1 1 6 . N3 N 2.318 -5.458 1.992 1.00 . A A . 6 AS N3 1 1
1 180 1 1 6 . N6 N -1.480 -4.032 1.108 1.00 . A A . 6 AS N6 1 1
1 181 1 1 6 . N7 N 0.292 -5.461 -0.971 1.00 . A A . 6 AS N7 1 1
1 182 1 1 6 . N9 N 2.366 -6.090 -0.373 1.00 . A A . 6 AS N9 1 1
1 183 1 1 6 . O3' O 5.016 -10.036 -0.510 1.00 . A A . 6 AS O3' 1 1
1 184 1 1 6 . O4' O 4.203 -6.795 -1.721 1.00 . A A . 6 AS O4' 1 1
1 185 1 1 6 . O5' O 3.588 -8.348 -3.902 1.00 . A A . 6 AS O5' 1 1
1 186 1 1 6 . OP1 O 4.164 -9.657 -5.964 1.00 . A A . 6 AS OP1 1 1
1 187 1 1 6 . P P 3.229 -8.628 -5.456 1.00 . A A . 6 AS P 1 1
1 188 1 1 6 . S2P S 1.125 -8.951 -5.538 1.00 . A A . 6 AS S2P 1 1
1 189 1 1 7 GS C1' C 2.327 -8.641 4.433 1.00 . A A . 7 GS C1' 1 1
1 190 1 1 7 GS C2 C -1.061 -6.281 5.916 1.00 . A A . 7 GS C2 1 1
1 191 1 1 7 GS C2' C 2.137 -10.118 4.750 1.00 . A A . 7 GS C2' 1 1
1 192 1 1 7 GS C3' C 3.567 -10.648 4.790 1.00 . A A . 7 GS C3' 1 1
1 193 1 1 7 GS C4 C 0.109 -7.393 4.344 1.00 . A A . 7 GS C4 1 1
1 194 1 1 7 GS C4' C 4.342 -9.617 3.952 1.00 . A A . 7 GS C4' 1 1
1 195 1 1 7 GS C5 C -0.845 -7.219 3.369 1.00 . A A . 7 GS C5 1 1
1 196 1 1 7 GS C5' C 5.018 -10.226 2.716 1.00 . A A . 7 GS C5' 1 1
1 197 1 1 7 GS C6 C -2.036 -6.498 3.672 1.00 . A A . 7 GS C6 1 1
1 198 1 1 7 GS C8 C 0.692 -8.369 2.485 1.00 . A A . 7 GS C8 1 1
1 199 1 1 7 GS H1' H 2.565 -8.085 5.342 1.00 . A A . 7 GS H1' 1 1
1 200 1 1 7 GS H2' H 1.605 -10.610 3.935 1.00 . A A . 7 GS H2' 1 1
1 201 1 1 7 GS H2'' H 1.586 -10.250 5.677 1.00 . A A . 7 GS H2'' 1 1
1 202 1 1 7 GS H3' H 3.622 -11.633 4.326 1.00 . A A . 7 GS H3' 1 1
1 203 1 1 7 GS H4' H 5.111 -9.157 4.574 1.00 . A A . 7 GS H4' 1 1
1 204 1 1 7 GS H5' H 5.632 -9.460 2.240 1.00 . A A . 7 GS H5' 1 1
1 205 1 1 7 GS H5'' H 5.663 -11.048 3.030 1.00 . A A . 7 GS H5'' 1 1
1 206 1 1 7 GS H8 H 1.258 -8.967 1.791 1.00 . A A . 7 GS H8 1 1
1 207 1 1 7 GS HN1 H -2.882 -5.545 5.293 1.00 . A A . 7 GS HN1 1 1
1 208 1 1 7 GS HN21 H -0.575 -6.001 7.872 1.00 . A A . 7 GS HN21 1 1
1 209 1 1 7 GS HN22 H -2.137 -5.372 7.393 1.00 . A A . 7 GS HN22 1 1
1 210 1 1 7 GS N1 N -2.062 -6.053 4.992 1.00 . A A . 7 GS N1 1 1
1 211 1 1 7 GS N2 N -1.273 -5.842 7.160 1.00 . A A . 7 GS N2 1 1
1 212 1 1 7 GS N3 N 0.065 -6.953 5.631 1.00 . A A . 7 GS N3 1 1
1 213 1 1 7 GS N7 N -0.460 -7.842 2.189 1.00 . A A . 7 GS N7 1 1
1 214 1 1 7 GS N9 N 1.117 -8.124 3.764 1.00 . A A . 7 GS N9 1 1
1 215 1 1 7 GS O3' O 4.097 -10.678 6.108 1.00 . A A . 7 GS O3' 1 1
1 216 1 1 7 GS O4' O 3.431 -8.607 3.555 1.00 . A A . 7 GS O4' 1 1
1 217 1 1 7 GS O5' O 4.049 -10.699 1.794 1.00 . A A . 7 GS O5' 1 1
1 218 1 1 7 GS O6 O -2.982 -6.256 2.928 1.00 . A A . 7 GS O6 1 1
1 219 1 1 7 GS OP1 O 5.606 -12.225 0.562 1.00 . A A . 7 GS OP1 1 1
1 220 1 1 7 GS P P 4.468 -11.304 0.350 1.00 . A A . 7 GS P 1 1
1 221 1 1 7 GS S2P S 2.677 -12.016 -0.559 1.00 . A A . 7 GS S2P 1 1
1 222 1 1 8 GS C1' C -1.131 -9.281 8.371 1.00 . A A . 8 GS C1' 1 1
1 223 1 1 8 GS C2 C -5.003 -7.512 7.297 1.00 . A A . 8 GS C2 1 1
1 224 1 1 8 GS C2' C -1.246 -10.597 9.141 1.00 . A A . 8 GS C2' 1 1
1 225 1 1 8 GS C3' C 0.125 -10.748 9.801 1.00 . A A . 8 GS C3' 1 1
1 226 1 1 8 GS C4 C -3.126 -8.698 6.898 1.00 . A A . 8 GS C4 1 1
1 227 1 1 8 GS C4' C 0.956 -9.609 9.193 1.00 . A A . 8 GS C4' 1 1
1 228 1 1 8 GS C5 C -3.439 -8.934 5.580 1.00 . A A . 8 GS C5 1 1
1 229 1 1 8 GS C5' C 2.371 -10.032 8.786 1.00 . A A . 8 GS C5' 1 1
1 230 1 1 8 GS C6 C -4.642 -8.397 5.034 1.00 . A A . 8 GS C6 1 1
1 231 1 1 8 GS C8 C -1.592 -9.909 5.927 1.00 . A A . 8 GS C8 1 1
1 232 1 1 8 GS H1' H -1.430 -8.450 9.012 1.00 . A A . 8 GS H1' 1 1
1 233 1 1 8 GS H2' H -1.400 -11.426 8.448 1.00 . A A . 8 GS H2' 1 1
1 234 1 1 8 GS H2'' H -2.062 -10.563 9.864 1.00 . A A . 8 GS H2'' 1 1
1 235 1 1 8 GS H3' H 0.538 -11.728 9.561 1.00 . A A . 8 GS H3' 1 1
1 236 1 1 8 GS H4' H 1.016 -8.785 9.905 1.00 . A A . 8 GS H4' 1 1
1 237 1 1 8 GS H5' H 2.876 -9.185 8.320 1.00 . A A . 8 GS H5' 1 1
1 238 1 1 8 GS H5'' H 2.919 -10.330 9.681 1.00 . A A . 8 GS H5'' 1 1
1 239 1 1 8 GS H8 H -0.697 -10.493 5.786 1.00 . A A . 8 GS H8 1 1
1 240 1 1 8 GS HN1 H -6.242 -7.265 5.660 1.00 . A A . 8 GS HN1 1 1
1 241 1 1 8 GS HN21 H -5.616 -6.698 9.058 1.00 . A A . 8 GS HN21 1 1
1 242 1 1 8 GS HN22 H -6.723 -6.491 7.718 1.00 . A A . 8 GS HN22 1 1
1 243 1 1 8 GS HO3' H -0.342 -11.410 11.567 1.00 . A A . 8 GS HO3' 1 1
1 244 1 1 8 GS N1 N -5.378 -7.685 5.978 1.00 . A A . 8 GS N1 1 1
1 245 1 1 8 GS N2 N -5.851 -6.845 8.087 1.00 . A A . 8 GS N2 1 1
1 246 1 1 8 GS N3 N -3.860 -7.999 7.806 1.00 . A A . 8 GS N3 1 1
1 247 1 1 8 GS N7 N -2.457 -9.710 4.975 1.00 . A A . 8 GS N7 1 1
1 248 1 1 8 GS N9 N -1.914 -9.309 7.118 1.00 . A A . 8 GS N9 1 1
1 249 1 1 8 GS O3' O 0.038 -10.607 11.203 1.00 . A A . 8 GS O3' 1 1
1 250 1 1 8 GS O4' O 0.240 -9.155 8.065 1.00 . A A . 8 GS O4' 1 1
1 251 1 1 8 GS O5' O 2.309 -11.116 7.877 1.00 . A A . 8 GS O5' 1 1
1 252 1 1 8 GS O6 O -5.062 -8.497 3.885 1.00 . A A . 8 GS O6 1 1
1 253 1 1 8 GS OP1 O 4.683 -11.797 8.272 1.00 . A A . 8 GS OP1 1 1
1 254 1 1 8 GS P P 3.637 -11.761 7.225 1.00 . A A . 8 GS P 1 1
1 255 1 1 8 GS S2P S 3.030 -13.562 6.260 1.00 . A A . 8 GS S2P 1 1
1 256 2 2 1 C C1' C -10.394 -3.991 6.338 1.00 . B B . 9 C C1' 1 1
1 257 2 2 1 C C2 C -8.393 -5.386 5.908 1.00 . B B . 9 C C2 1 1
1 258 2 2 1 C C2' C -9.892 -2.903 7.298 1.00 . B B . 9 C C2' 1 1
1 259 2 2 1 C C3' C -10.247 -1.631 6.536 1.00 . B B . 9 C C3' 1 1
1 260 2 2 1 C C4 C -7.478 -5.602 3.745 1.00 . B B . 9 C C4 1 1
1 261 2 2 1 C C4' C -11.589 -2.050 5.941 1.00 . B B . 9 C C4' 1 1
1 262 2 2 1 C C5 C -8.381 -4.618 3.225 1.00 . B B . 9 C C5 1 1
1 263 2 2 1 C C5' C -12.021 -1.197 4.741 1.00 . B B . 9 C C5' 1 1
1 264 2 2 1 C C6 C -9.276 -4.088 4.090 1.00 . B B . 9 C C6 1 1
1 265 2 2 1 C H1' H -10.775 -4.843 6.905 1.00 . B B . 9 C H1' 1 1
1 266 2 2 1 C H2' H -8.829 -2.988 7.508 1.00 . B B . 9 C H2' 1 1
1 267 2 2 1 C H3' H -9.513 -1.471 5.745 1.00 . B B . 9 C H3' 1 1
1 268 2 2 1 C H4' H -12.355 -1.970 6.714 1.00 . B B . 9 C H4' 1 1
1 269 2 2 1 C H41 H -5.976 -6.902 3.280 1.00 . B B . 9 C H41 1 1
1 270 2 2 1 C H42 H -6.591 -5.961 1.943 1.00 . B B . 9 C H42 1 1
1 271 2 2 1 C H5 H -8.387 -4.302 2.192 1.00 . B B . 9 C H5 1 1
1 272 2 2 1 C H5' H -12.920 -1.623 4.297 1.00 . B B . 9 C H5' 1 1
1 273 2 2 1 C H5'' H -12.237 -0.185 5.083 1.00 . B B . 9 C H5'' 1 1
1 274 2 2 1 C H6 H -9.978 -3.372 3.699 1.00 . B B . 9 C H6 1 1
1 275 2 2 1 C HO2' H -10.416 -3.804 8.942 1.00 . B B . 9 C HO2' 1 1
1 276 2 2 1 C HO5' H -11.319 -0.574 3.036 1.00 . B B . 9 C HO5' 1 1
1 277 2 2 1 C N1 N -9.318 -4.463 5.415 1.00 . B B . 9 C N1 1 1
1 278 2 2 1 C N3 N -7.496 -5.941 5.043 1.00 . B B . 9 C N3 1 1
1 279 2 2 1 C N4 N -6.609 -6.200 2.924 1.00 . B B . 9 C N4 1 1
1 280 2 2 1 C O2 O -8.386 -5.697 7.098 1.00 . B B . 9 C O2 1 1
1 281 2 2 1 C O2' O -10.614 -2.969 8.512 1.00 . B B . 9 C O2' 1 1
1 282 2 2 1 C O3' O -10.408 -0.493 7.367 1.00 . B B . 9 C O3' 1 1
1 283 2 2 1 C O4' O -11.475 -3.423 5.610 1.00 . B B . 9 C O4' 1 1
1 284 2 2 1 C O5' O -11.009 -1.125 3.759 1.00 . B B . 9 C O5' 1 1
1 285 2 2 2 C C1' C -5.692 -3.082 9.315 1.00 . B B . 10 C C1' 1 1
1 286 2 2 2 C C2 C -4.353 -4.142 7.527 1.00 . B B . 10 C C2 1 1
1 287 2 2 2 C C2' C -4.748 -2.016 9.879 1.00 . B B . 10 C C2' 1 1
1 288 2 2 2 C C3' C -5.605 -0.762 9.766 1.00 . B B . 10 C C3' 1 1
1 289 2 2 2 C C4 C -4.851 -3.813 5.248 1.00 . B B . 10 C C4 1 1
1 290 2 2 2 C C4' C -6.961 -1.345 10.162 1.00 . B B . 10 C C4' 1 1
1 291 2 2 2 C C5 C -5.886 -2.876 5.569 1.00 . B B . 10 C C5 1 1
1 292 2 2 2 C C5' C -8.150 -0.470 9.752 1.00 . B B . 10 C C5' 1 1
1 293 2 2 2 C C6 C -6.121 -2.653 6.881 1.00 . B B . 10 C C6 1 1
1 294 2 2 2 C H1' H -5.573 -4.022 9.857 1.00 . B B . 10 C H1' 1 1
1 295 2 2 2 C H2' H -3.826 -1.935 9.309 1.00 . B B . 10 C H2' 1 1
1 296 2 2 2 C H3' H -5.625 -0.433 8.727 1.00 . B B . 10 C H3' 1 1
1 297 2 2 2 C H4' H -6.986 -1.496 11.242 1.00 . B B . 10 C H4' 1 1
1 298 2 2 2 C H41 H -3.867 -4.748 3.726 1.00 . B B . 10 C H41 1 1
1 299 2 2 2 C H42 H -5.126 -3.644 3.238 1.00 . B B . 10 C H42 1 1
1 300 2 2 2 C H5 H -6.469 -2.355 4.825 1.00 . B B . 10 C H5 1 1
1 301 2 2 2 C H5' H -9.079 -0.984 10.002 1.00 . B B . 10 C H5' 1 1
1 302 2 2 2 C H5'' H -8.101 0.473 10.298 1.00 . B B . 10 C H5'' 1 1
1 303 2 2 2 C H6 H -6.883 -1.941 7.135 1.00 . B B . 10 C H6 1 1
1 304 2 2 2 C HO2' H -3.989 -3.142 11.274 1.00 . B B . 10 C HO2' 1 1
1 305 2 2 2 C N1 N -5.409 -3.295 7.866 1.00 . B B . 10 C N1 1 1
1 306 2 2 2 C N3 N -4.115 -4.394 6.208 1.00 . B B . 10 C N3 1 1
1 307 2 2 2 C N4 N -4.589 -4.086 3.968 1.00 . B B . 10 C N4 1 1
1 308 2 2 2 C O2 O -3.647 -4.649 8.396 1.00 . B B . 10 C O2 1 1
1 309 2 2 2 C O2' O -4.465 -2.309 11.233 1.00 . B B . 10 C O2' 1 1
1 310 2 2 2 C O3' O -5.180 0.280 10.626 1.00 . B B . 10 C O3' 1 1
1 311 2 2 2 C O4' O -7.018 -2.615 9.533 1.00 . B B . 10 C O4' 1 1
1 312 2 2 2 C O5' O -8.088 -0.217 8.363 1.00 . B B . 10 C O5' 1 1
1 313 2 2 2 C OP1 O -9.751 1.652 8.481 1.00 . B B . 10 C OP1 1 1
1 314 2 2 2 C OP2 O -8.703 0.966 6.250 1.00 . B B . 10 C OP2 1 1
1 315 2 2 2 C P P -9.236 0.596 7.581 1.00 . B B . 10 C P 1 1
1 316 2 2 3 U C1' C -0.322 -2.322 8.535 1.00 . B B . 11 U C1' 1 1
1 317 2 2 3 U C2 C -0.204 -3.003 6.165 1.00 . B B . 11 U C2 1 1
1 318 2 2 3 U C2' C 0.821 -1.312 8.671 1.00 . B B . 11 U C2' 1 1
1 319 2 2 3 U C3' C 0.109 -0.115 9.290 1.00 . B B . 11 U C3' 1 1
1 320 2 2 3 U C4 C -1.845 -2.216 4.493 1.00 . B B . 11 U C4 1 1
1 321 2 2 3 U C4' C -0.792 -0.868 10.264 1.00 . B B . 11 U C4' 1 1
1 322 2 2 3 U C5 C -2.433 -1.424 5.553 1.00 . B B . 11 U C5 1 1
1 323 2 2 3 U C5' C -1.913 -0.011 10.856 1.00 . B B . 11 U C5' 1 1
1 324 2 2 3 U C6 C -1.948 -1.478 6.817 1.00 . B B . 11 U C6 1 1
1 325 2 2 3 U H1' H 0.035 -3.330 8.755 1.00 . B B . 11 U H1' 1 1
1 326 2 2 3 U H2' H 1.262 -1.070 7.713 1.00 . B B . 11 U H2' 1 1
1 327 2 2 3 U H3 H -0.304 -3.526 4.180 1.00 . B B . 11 U H3 1 1
1 328 2 2 3 U H3' H -0.501 0.385 8.536 1.00 . B B . 11 U H3' 1 1
1 329 2 2 3 U H4' H -0.185 -1.255 11.084 1.00 . B B . 11 U H4' 1 1
1 330 2 2 3 U H5 H -3.272 -0.781 5.328 1.00 . B B . 11 U H5 1 1
1 331 2 2 3 U H5' H -2.486 -0.613 11.561 1.00 . B B . 11 U H5' 1 1
1 332 2 2 3 U H5'' H -1.465 0.827 11.391 1.00 . B B . 11 U H5'' 1 1
1 333 2 2 3 U H6 H -2.419 -0.864 7.567 1.00 . B B . 11 U H6 1 1
1 334 2 2 3 U HO2' H 2.240 -2.565 9.117 1.00 . B B . 11 U HO2' 1 1
1 335 2 2 3 U N1 N -0.874 -2.275 7.149 1.00 . B B . 11 U N1 1 1
1 336 2 2 3 U N3 N -0.754 -2.970 4.893 1.00 . B B . 11 U N3 1 1
1 337 2 2 3 U O2 O 0.824 -3.640 6.387 1.00 . B B . 11 U O2 1 1
1 338 2 2 3 U O2' O 1.809 -1.821 9.545 1.00 . B B . 11 U O2' 1 1
1 339 2 2 3 U O3' O 0.983 0.799 9.930 1.00 . B B . 11 U O3' 1 1
1 340 2 2 3 U O4 O -2.237 -2.255 3.329 1.00 . B B . 11 U O4 1 1
1 341 2 2 3 U O4' O -1.289 -1.968 9.517 1.00 . B B . 11 U O4' 1 1
1 342 2 2 3 U O5' O -2.758 0.480 9.834 1.00 . B B . 11 U O5' 1 1
1 343 2 2 3 U OP1 O -3.766 2.226 11.326 1.00 . B B . 11 U OP1 1 1
1 344 2 2 3 U OP2 O -4.533 1.976 8.900 1.00 . B B . 11 U OP2 1 1
1 345 2 2 3 U P P -4.070 1.362 10.164 1.00 . B B . 11 U P 1 1
1 346 2 2 4 G C1' C 3.944 -1.607 5.757 1.00 . B B . 12 G C1' 1 1
1 347 2 2 4 G C2 C 3.234 -2.509 1.539 1.00 . B B . 12 G C2 1 1
1 348 2 2 4 G C2' C 5.238 -0.864 5.425 1.00 . B B . 12 G C2' 1 1
1 349 2 2 4 G C3' C 5.125 0.357 6.334 1.00 . B B . 12 G C3' 1 1
1 350 2 2 4 G C4 C 2.717 -1.582 3.532 1.00 . B B . 12 G C4 1 1
1 351 2 2 4 G C4' C 4.588 -0.339 7.583 1.00 . B B . 12 G C4' 1 1
1 352 2 2 4 G C5 C 1.523 -1.065 3.090 1.00 . B B . 12 G C5 1 1
1 353 2 2 4 G C5' C 3.968 0.593 8.628 1.00 . B B . 12 G C5' 1 1
1 354 2 2 4 G C6 C 1.095 -1.323 1.754 1.00 . B B . 12 G C6 1 1
1 355 2 2 4 G C8 C 1.779 -0.358 5.070 1.00 . B B . 12 G C8 1 1
1 356 2 2 4 G H1 H 1.811 -2.252 0.061 1.00 . B B . 12 G H1 1 1
1 357 2 2 4 G H1' H 4.082 -2.684 5.654 1.00 . B B . 12 G H1' 1 1
1 358 2 2 4 G H2' H 5.313 -0.608 4.373 1.00 . B B . 12 G H2' 1 1
1 359 2 2 4 G H21 H 3.784 -3.291 -0.269 1.00 . B B . 12 G H21 1 1
1 360 2 2 4 G H22 H 4.920 -3.530 1.042 1.00 . B B . 12 G H22 1 1
1 361 2 2 4 G H3' H 4.379 1.056 5.950 1.00 . B B . 12 G H3' 1 1
1 362 2 2 4 G H4' H 5.410 -0.877 8.060 1.00 . B B . 12 G H4' 1 1
1 363 2 2 4 G H5' H 3.758 0.011 9.526 1.00 . B B . 12 G H5' 1 1
1 364 2 2 4 G H5'' H 4.677 1.383 8.878 1.00 . B B . 12 G H5'' 1 1
1 365 2 2 4 G H8 H 1.618 0.181 5.988 1.00 . B B . 12 G H8 1 1
1 366 2 2 4 G HO2' H 6.274 -2.510 5.347 1.00 . B B . 12 G HO2' 1 1
1 367 2 2 4 G N1 N 2.033 -2.053 1.028 1.00 . B B . 12 G N1 1 1
1 368 2 2 4 G N2 N 4.041 -3.168 0.702 1.00 . B B . 12 G N2 1 1
1 369 2 2 4 G N3 N 3.611 -2.317 2.814 1.00 . B B . 12 G N3 1 1
1 370 2 2 4 G N7 N 0.945 -0.273 4.074 1.00 . B B . 12 G N7 1 1
1 371 2 2 4 G N9 N 2.851 -1.187 4.843 1.00 . B B . 12 G N9 1 1
1 372 2 2 4 G O2' O 6.334 -1.671 5.809 1.00 . B B . 12 G O2' 1 1
1 373 2 2 4 G O3' O 6.375 0.986 6.556 1.00 . B B . 12 G O3' 1 1
1 374 2 2 4 G O4' O 3.649 -1.293 7.111 1.00 . B B . 12 G O4' 1 1
1 375 2 2 4 G O5' O 2.769 1.161 8.139 1.00 . B B . 12 G O5' 1 1
1 376 2 2 4 G O6 O 0.049 -0.973 1.216 1.00 . B B . 12 G O6 1 1
1 377 2 2 4 G OP1 O 2.563 2.740 10.075 1.00 . B B . 12 G OP1 1 1
1 378 2 2 4 G OP2 O 0.766 2.658 8.258 1.00 . B B . 12 G OP2 1 1
1 379 2 2 4 G P P 1.756 1.961 9.109 1.00 . B B . 12 G P 1 1
1 380 2 2 5 A C1' C 6.381 -0.623 0.870 1.00 . B B . 13 A C1' 1 1
1 381 2 2 5 A C2 C 3.594 0.008 -2.421 1.00 . B B . 13 A C2 1 1
1 382 2 2 5 A C2' C 7.504 0.158 0.183 1.00 . B B . 13 A C2' 1 1
1 383 2 2 5 A C3' C 8.090 0.929 1.359 1.00 . B B . 13 A C3' 1 1
1 384 2 2 5 A C4 C 4.302 0.213 -0.328 1.00 . B B . 13 A C4 1 1
1 385 2 2 5 A C4' C 8.012 -0.154 2.431 1.00 . B B . 13 A C4' 1 1
1 386 2 2 5 A C5 C 3.128 0.798 0.079 1.00 . B B . 13 A C5 1 1
1 387 2 2 5 A C5' C 8.155 0.405 3.850 1.00 . B B . 13 A C5' 1 1
1 388 2 2 5 A C6 C 2.118 0.920 -0.896 1.00 . B B . 13 A C6 1 1
1 389 2 2 5 A C8 C 4.382 0.744 1.783 1.00 . B B . 13 A C8 1 1
1 390 2 2 5 A H1' H 6.257 -1.596 0.393 1.00 . B B . 13 A H1' 1 1
1 391 2 2 5 A H2 H 3.759 -0.292 -3.445 1.00 . B B . 13 A H2 1 1
1 392 2 2 5 A H2' H 7.135 0.806 -0.605 1.00 . B B . 13 A H2' 1 1
1 393 2 2 5 A H3' H 7.428 1.756 1.620 1.00 . B B . 13 A H3' 1 1
1 394 2 2 5 A H4' H 8.805 -0.883 2.259 1.00 . B B . 13 A H4' 1 1
1 395 2 2 5 A H5' H 8.143 -0.416 4.564 1.00 . B B . 13 A H5' 1 1
1 396 2 2 5 A H5'' H 9.115 0.919 3.924 1.00 . B B . 13 A H5'' 1 1
1 397 2 2 5 A H61 H 0.197 1.474 -1.351 1.00 . B B . 13 A H61 1 1
1 398 2 2 5 A H62 H 0.672 1.672 0.321 1.00 . B B . 13 A H62 1 1
1 399 2 2 5 A H8 H 4.744 0.869 2.790 1.00 . B B . 13 A H8 1 1
1 400 2 2 5 A HO2' H 8.036 -1.240 -1.059 1.00 . B B . 13 A HO2' 1 1
1 401 2 2 5 A N1 N 2.399 0.527 -2.152 1.00 . B B . 13 A N1 1 1
1 402 2 2 5 A N3 N 4.606 -0.209 -1.585 1.00 . B B . 13 A N3 1 1
1 403 2 2 5 A N6 N 0.898 1.401 -0.626 1.00 . B B . 13 A N6 1 1
1 404 2 2 5 A N7 N 3.200 1.153 1.419 1.00 . B B . 13 A N7 1 1
1 405 2 2 5 A N9 N 5.095 0.114 0.790 1.00 . B B . 13 A N9 1 1
1 406 2 2 5 A O2' O 8.452 -0.745 -0.349 1.00 . B B . 13 A O2' 1 1
1 407 2 2 5 A O3' O 9.426 1.355 1.152 1.00 . B B . 13 A O3' 1 1
1 408 2 2 5 A O4' O 6.767 -0.800 2.226 1.00 . B B . 13 A O4' 1 1
1 409 2 2 5 A O5' O 7.104 1.313 4.119 1.00 . B B . 13 A O5' 1 1
1 410 2 2 5 A OP1 O 8.338 2.437 5.990 1.00 . B B . 13 A OP1 1 1
1 411 2 2 5 A OP2 O 5.964 3.154 5.368 1.00 . B B . 13 A OP2 1 1
1 412 2 2 5 A P P 6.975 2.086 5.531 1.00 . B B . 13 A P 1 1
1 413 2 2 6 C C1' C 6.723 2.151 -3.838 1.00 . B B . 14 C C1' 1 1
1 414 2 2 6 C C2 C 4.425 3.055 -3.568 1.00 . B B . 14 C C2 1 1
1 415 2 2 6 C C2' C 7.472 3.205 -4.657 1.00 . B B . 14 C C2' 1 1
1 416 2 2 6 C C3' C 8.645 3.537 -3.742 1.00 . B B . 14 C C3' 1 1
1 417 2 2 6 C C4 C 3.627 3.793 -1.474 1.00 . B B . 14 C C4 1 1
1 418 2 2 6 C C4' C 8.965 2.126 -3.249 1.00 . B B . 14 C C4' 1 1
1 419 2 2 6 C C5 C 4.907 3.576 -0.869 1.00 . B B . 14 C C5 1 1
1 420 2 2 6 C C5' C 9.831 2.083 -1.984 1.00 . B B . 14 C C5' 1 1
1 421 2 2 6 C C6 C 5.881 3.081 -1.663 1.00 . B B . 14 C C6 1 1
1 422 2 2 6 C H1' H 6.263 1.414 -4.500 1.00 . B B . 14 C H1' 1 1
1 423 2 2 6 C H2' H 6.854 4.068 -4.869 1.00 . B B . 14 C H2' 1 1
1 424 2 2 6 C H3' H 8.303 4.158 -2.913 1.00 . B B . 14 C H3' 1 1
1 425 2 2 6 C H4' H 9.490 1.589 -4.041 1.00 . B B . 14 C H4' 1 1
1 426 2 2 6 C H41 H 1.705 4.374 -1.159 1.00 . B B . 14 C H41 1 1
1 427 2 2 6 C H42 H 2.739 4.406 0.257 1.00 . B B . 14 C H42 1 1
1 428 2 2 6 C H5 H 5.119 3.778 0.172 1.00 . B B . 14 C H5 1 1
1 429 2 2 6 C H5' H 9.980 1.043 -1.694 1.00 . B B . 14 C H5' 1 1
1 430 2 2 6 C H5'' H 10.799 2.537 -2.199 1.00 . B B . 14 C H5'' 1 1
1 431 2 2 6 C H6 H 6.843 2.922 -1.219 1.00 . B B . 14 C H6 1 1
1 432 2 2 6 C HO2' H 7.174 2.346 -6.380 1.00 . B B . 14 C HO2' 1 1
1 433 2 2 6 C N1 N 5.668 2.785 -2.989 1.00 . B B . 14 C N1 1 1
1 434 2 2 6 C N3 N 3.426 3.537 -2.776 1.00 . B B . 14 C N3 1 1
1 435 2 2 6 C N4 N 2.609 4.229 -0.728 1.00 . B B . 14 C N4 1 1
1 436 2 2 6 C O2 O 4.229 2.867 -4.768 1.00 . B B . 14 C O2 1 1
1 437 2 2 6 C O2' O 7.933 2.628 -5.864 1.00 . B B . 14 C O2' 1 1
1 438 2 2 6 C O3' O 9.741 4.131 -4.420 1.00 . B B . 14 C O3' 1 1
1 439 2 2 6 C O4' O 7.710 1.492 -3.052 1.00 . B B . 14 C O4' 1 1
1 440 2 2 6 C O5' O 9.201 2.794 -0.939 1.00 . B B . 14 C O5' 1 1
1 441 2 2 6 C OP1 O 11.254 2.934 0.488 1.00 . B B . 14 C OP1 1 1
1 442 2 2 6 C OP2 O 9.009 3.819 1.333 1.00 . B B . 14 C OP2 1 1
1 443 2 2 6 C P P 9.781 2.818 0.564 1.00 . B B . 14 C P 1 1
1 444 2 2 7 G C1' C 5.073 5.723 -7.186 1.00 . B B . 15 G C1' 1 1
1 445 2 2 7 G C2 C 1.045 6.579 -5.770 1.00 . B B . 15 G C2 1 1
1 446 2 2 7 G C2' C 5.291 6.959 -8.060 1.00 . B B . 15 G C2' 1 1
1 447 2 2 7 G C3' C 6.760 7.268 -7.784 1.00 . B B . 15 G C3' 1 1
1 448 2 2 7 G C4 C 3.263 6.296 -5.502 1.00 . B B . 15 G C4 1 1
1 449 2 2 7 G C4' C 7.303 5.840 -7.776 1.00 . B B . 15 G C4' 1 1
1 450 2 2 7 G C5 C 3.211 6.412 -4.134 1.00 . B B . 15 G C5 1 1
1 451 2 2 7 G C5' C 8.676 5.689 -7.115 1.00 . B B . 15 G C5' 1 1
1 452 2 2 7 G C6 C 1.946 6.570 -3.488 1.00 . B B . 15 G C6 1 1
1 453 2 2 7 G C8 C 5.261 6.240 -4.648 1.00 . B B . 15 G C8 1 1
1 454 2 2 7 G H1 H -0.028 6.810 -4.015 1.00 . B B . 15 G H1 1 1
1 455 2 2 7 G H1' H 4.342 5.059 -7.649 1.00 . B B . 15 G H1' 1 1
1 456 2 2 7 G H2' H 4.620 7.769 -7.801 1.00 . B B . 15 G H2' 1 1
1 457 2 2 7 G H21 H -0.951 6.856 -6.077 1.00 . B B . 15 G H21 1 1
1 458 2 2 7 G H22 H 0.010 6.631 -7.520 1.00 . B B . 15 G H22 1 1
1 459 2 2 7 G H3' H 6.874 7.715 -6.795 1.00 . B B . 15 G H3' 1 1
1 460 2 2 7 G H4' H 7.375 5.488 -8.806 1.00 . B B . 15 G H4' 1 1
1 461 2 2 7 G H5' H 9.016 4.661 -7.246 1.00 . B B . 15 G H5' 1 1
1 462 2 2 7 G H5'' H 9.386 6.361 -7.599 1.00 . B B . 15 G H5'' 1 1
1 463 2 2 7 G H8 H 6.334 6.205 -4.563 1.00 . B B . 15 G H8 1 1
1 464 2 2 7 G HO2' H 4.187 6.357 -9.545 1.00 . B B . 15 G HO2' 1 1
1 465 2 2 7 G N1 N 0.898 6.671 -4.399 1.00 . B B . 15 G N1 1 1
1 466 2 2 7 G N2 N -0.057 6.694 -6.515 1.00 . B B . 15 G N2 1 1
1 467 2 2 7 G N3 N 2.223 6.367 -6.375 1.00 . B B . 15 G N3 1 1
1 468 2 2 7 G N7 N 4.497 6.408 -3.605 1.00 . B B . 15 G N7 1 1
1 469 2 2 7 G N9 N 4.580 6.091 -5.833 1.00 . B B . 15 G N9 1 1
1 470 2 2 7 G O2' O 5.103 6.616 -9.419 1.00 . B B . 15 G O2' 1 1
1 471 2 2 7 G O3' O 7.361 8.054 -8.800 1.00 . B B . 15 G O3' 1 1
1 472 2 2 7 G O4' O 6.324 5.059 -7.109 1.00 . B B . 15 G O4' 1 1
1 473 2 2 7 G O5' O 8.587 5.996 -5.738 1.00 . B B . 15 G O5' 1 1
1 474 2 2 7 G O6 O 1.709 6.635 -2.285 1.00 . B B . 15 G O6 1 1
1 475 2 2 7 G OP1 O 11.074 5.992 -5.440 1.00 . B B . 15 G OP1 1 1
1 476 2 2 7 G OP2 O 9.520 6.440 -3.460 1.00 . B B . 15 G OP2 1 1
1 477 2 2 7 G P P 9.809 5.721 -4.721 1.00 . B B . 15 G P 1 1
1 478 2 2 8 C C1' C 1.964 10.234 -8.072 1.00 . B B . 16 C C1' 1 1
1 479 2 2 8 C C2 C 1.217 10.160 -5.708 1.00 . B B . 16 C C2 1 1
1 480 2 2 8 C C2' C 2.041 11.732 -8.393 1.00 . B B . 16 C C2' 1 1
1 481 2 2 8 C C3' C 3.491 11.857 -8.845 1.00 . B B . 16 C C3' 1 1
1 482 2 2 8 C C4 C 2.719 9.680 -3.955 1.00 . B B . 16 C C4 1 1
1 483 2 2 8 C C4' C 3.617 10.567 -9.658 1.00 . B B . 16 C C4' 1 1
1 484 2 2 8 C C5 C 3.811 9.558 -4.873 1.00 . B B . 16 C C5 1 1
1 485 2 2 8 C C5' C 5.059 10.144 -9.964 1.00 . B B . 16 C C5' 1 1
1 486 2 2 8 C C6 C 3.531 9.737 -6.181 1.00 . B B . 16 C C6 1 1
1 487 2 2 8 C H1' H 0.975 9.843 -8.319 1.00 . B B . 16 C H1' 1 1
1 488 2 2 8 C H2' H 1.813 12.366 -7.536 1.00 . B B . 16 C H2' 1 1
1 489 2 2 8 C H3' H 4.148 11.845 -7.975 1.00 . B B . 16 C H3' 1 1
1 490 2 2 8 C H4' H 3.090 10.693 -10.606 1.00 . B B . 16 C H4' 1 1
1 491 2 2 8 C H41 H 2.168 9.551 -2.001 1.00 . B B . 16 C H41 1 1
1 492 2 2 8 C H42 H 3.847 9.193 -2.331 1.00 . B B . 16 C H42 1 1
1 493 2 2 8 C H5 H 4.821 9.324 -4.570 1.00 . B B . 16 C H5 1 1
1 494 2 2 8 C H5' H 5.054 9.169 -10.451 1.00 . B B . 16 C H5' 1 1
1 495 2 2 8 C H5'' H 5.499 10.878 -10.641 1.00 . B B . 16 C H5'' 1 1
1 496 2 2 8 C H6 H 4.349 9.684 -6.872 1.00 . B B . 16 C H6 1 1
1 497 2 2 8 C HO2' H 0.819 12.920 -9.338 1.00 . B B . 16 C HO2' 1 1
1 498 2 2 8 C HO3' H 2.974 13.125 -10.211 1.00 . B B . 16 C HO3' 1 1
1 499 2 2 8 C N1 N 2.259 10.012 -6.626 1.00 . B B . 16 C N1 1 1
1 500 2 2 8 C N3 N 1.481 9.976 -4.382 1.00 . B B . 16 C N3 1 1
1 501 2 2 8 C N4 N 2.935 9.480 -2.653 1.00 . B B . 16 C N4 1 1
1 502 2 2 8 C O2 O 0.085 10.458 -6.083 1.00 . B B . 16 C O2 1 1
1 503 2 2 8 C O2' O 1.166 12.034 -9.464 1.00 . B B . 16 C O2' 1 1
1 504 2 2 8 C O3' O 3.709 13.026 -9.602 1.00 . B B . 16 C O3' 1 1
1 505 2 2 8 C O4' O 2.922 9.586 -8.905 1.00 . B B . 16 C O4' 1 1
1 506 2 2 8 C O5' O 5.815 10.092 -8.770 1.00 . B B . 16 C O5' 1 1
1 507 2 2 8 C OP1 O 8.006 10.164 -9.987 1.00 . B B . 16 C OP1 1 1
1 508 2 2 8 C OP2 O 7.925 10.075 -7.433 1.00 . B B . 16 C OP2 1 1
1 509 2 2 8 C P P 7.372 9.669 -8.744 1.00 . B B . 16 C P 1 1
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