NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
532100 |
2l2y   |
17155 | cing | 4-filtered-FRED | STAR | entry | full | 124 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2l2y
# This FRED archive file contains, for PDB entry <2l2y>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
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.PDB_coordinate_file_version .
_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_2l2y
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2l2y
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 1592.80
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 $Thiostrepton A . 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 QUA 1 QUA 1 1
1 1 ILE 2 ILE 1 1
1 1 ALA 3 ALA 1 1
1 1 DHA 4 DHA 1 1
1 1 ALA 5 ALA 1 1
1 1 SER 6 SER 1 1
1 1 . 7 . 1 1
1 1 THR 8 THR 1 1
1 1 DBU 9 DBU 1 1
1 1 CYS 10 CYS 1 1
1 1 . 11 . 1 1
1 1 . 12 . 1 1
1 1 THR 13 THR 1 1
1 1 . 14 . 1 1
1 1 . 15 . 1 1
1 1 . 16 . 1 1
1 1 DHA 17 DHA 1 1
1 1 NH2 18 NH2 1 1
stop_
save_
save_Thiostrepton
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name Thiostrepton
_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 QUA $QUA 1 1
2 ILE . 1 1
3 ALA . 1 1
4 DHA $DHA 1 1
5 ALA . 1 1
6 SER . 1 1
7 . $. 1 1
8 THR . 1 1
9 DBU $DBU 1 1
10 CYS . 1 1
11 . $. 1 1
12 . $. 1 1
13 THR . 1 1
14 . $. 1 1
15 . $. 1 1
16 . $. 1 1
17 DHA $DHA 1 1
18 NH2 $NH2 1 1
stop_
save_
save_DBU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DBU
_Chem_comp.Type non-polymer
save_
save_QUA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID QUA
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_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_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DHA
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_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
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 QUA H13 . 0 . H13 1 1
1 1 2 1 1 1 QUA HC3 . 0 . HC3 1 1
2 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
2 1 2 1 1 1 QUA HC5 . 0 . HC5 1 1
3 1 1 1 1 1 QUA H13 . 0 . H13 1 1
3 1 2 1 1 1 QUA HC5 . 0 . HC5 1 1
4 1 1 1 1 1 QUA HC5 . 0 . HC5 1 1
4 1 2 1 1 1 QUA HC6 . 0 . HC6 1 1
5 1 1 1 1 1 QUA H13 . 0 . H13 1 1
5 1 2 1 1 1 QUA HC6 . 0 . HC6 1 1
6 1 1 1 1 1 QUA HC6 . 0 . HC6 1 1
6 1 2 1 1 1 QUA HC71 . 0 . HC71 1 1
7 1 1 1 1 1 QUA HC6 . 0 . HC6 1 1
7 1 2 1 1 1 QUA HC8 . 0 . HC8 1 1
8 1 1 1 1 2 ILE HA . 1 . HA 1 1
8 1 2 1 1 2 ILE HB . 1 . HB 1 1
9 1 1 1 1 2 ILE HA . 1 . HA 1 1
9 1 2 1 1 2 ILE MG . 1 . HG2# 1 1
10 1 1 1 1 2 ILE HA . 1 . HA 1 1
10 1 2 1 1 2 ILE MD . 1 . HD1# 1 1
11 1 1 1 1 2 ILE HB . 1 . HB 1 1
11 1 2 1 1 2 ILE HG12 . 1 . HG12 1 1
12 1 1 1 1 2 ILE HB . 1 . HB 1 1
12 1 2 1 1 2 ILE HG13 . 1 . HG13 1 1
13 1 1 1 1 2 ILE MD . 1 . HD1# 1 1
13 1 2 1 1 2 ILE HG13 . 1 . HG13 1 1
14 1 1 1 1 3 ALA H . 2 . H 1 1
14 1 2 1 1 3 ALA HA . 2 . HA 1 1
15 1 1 1 1 3 ALA H . 2 . H 1 1
15 1 2 1 1 3 ALA MB . 2 . HB# 1 1
16 1 1 1 1 3 ALA HA . 2 . HA 1 1
16 1 2 1 1 3 ALA MB . 2 . HB# 1 1
17 1 1 1 1 4 DHA H . 3 . H 1 1
17 1 2 1 1 4 DHA HB1 . 3 . HB1 1 1
18 1 1 1 1 4 DHA H . 3 . H 1 1
18 1 2 1 1 4 DHA HB2 . 3 . HB2 1 1
19 1 1 1 1 4 DHA HB1 . 3 . HB1 1 1
19 1 2 1 1 4 DHA HB2 . 3 . HB2 1 1
20 1 1 1 1 5 ALA H . 4 . H 1 1
20 1 2 1 1 5 ALA HA . 4 . HA 1 1
21 1 1 1 1 5 ALA H . 4 . H 1 1
21 1 2 1 1 5 ALA MB . 4 . HB# 1 1
22 1 1 1 1 5 ALA HA . 4 . HA 1 1
22 1 2 1 1 5 ALA MB . 4 . HB# 1 1
23 1 1 1 1 6 SER H . 5 . H 1 1
23 1 2 1 1 6 SER HB2 . 5 . HB2 1 1
24 1 1 1 1 6 SER H . 5 . H 1 1
24 1 2 1 1 6 SER HB3 . 5 . HB3 1 1
25 1 1 1 1 8 THR H . 7 . H 1 1
25 1 2 1 1 8 THR HA . 7 . HA 1 1
26 1 1 1 1 8 THR H . 7 . H 1 1
26 1 2 1 1 8 THR MG . 7 . HG2# 1 1
27 1 1 1 1 8 THR HA . 7 . HA 1 1
27 1 2 1 1 8 THR HB . 7 . HB 1 1
28 1 1 1 1 10 CYS HA . 9 . HA 1 1
28 1 2 1 1 10 CYS HB3 . 9 . HB3 1 1
29 1 1 1 1 11 . H . 10 . H 1 1
29 1 2 1 1 11 . HA . 10 . HA 1 1
30 1 1 1 1 11 . H . 10 . H 1 1
30 1 2 1 1 11 . HG1 . 10 . HG1 1 1
31 1 1 1 1 11 . HA . 10 . HA 1 1
31 1 2 1 1 11 . HG1 . 10 . HG1 1 1
32 1 1 1 1 13 THR H . 12 . H 1 1
32 1 2 1 1 13 THR HA . 12 . HA 1 1
33 1 1 1 1 13 THR H . 12 . H 1 1
33 1 2 1 1 13 THR HB . 12 . HB 1 1
34 1 1 1 1 13 THR H . 12 . H 1 1
34 1 2 1 1 13 THR MG . 12 . HG2# 1 1
35 1 1 1 1 13 THR HA . 12 . HA 1 1
35 1 2 1 1 13 THR HB . 12 . HB 1 1
36 1 1 1 1 13 THR HA . 12 . HA 1 1
36 1 2 1 1 13 THR MG . 12 . HG2# 1 1
37 1 1 1 1 13 THR HB . 12 . HB 1 1
37 1 2 1 1 13 THR MG . 12 . HG2# 1 1
38 1 1 1 1 15 . HB2 . 14 . HB2 1 1
38 1 2 1 1 15 . HB3 . 14 . HB3 1 1
39 1 1 1 1 17 DHA H . 16 . H 1 1
39 1 2 1 1 17 DHA HB1 . 16 . HB1 1 1
40 1 1 1 1 17 DHA H . 16 . H 1 1
40 1 2 1 1 17 DHA HB2 . 16 . HB2 1 1
41 1 1 1 1 17 DHA HB1 . 16 . HB1 1 1
41 1 2 1 1 17 DHA HB2 . 16 . HB2 1 1
42 1 1 1 1 18 NH2 HN1 . 17 . HN1 1 1
42 1 2 1 1 18 NH2 HN2 . 17 . HN2 1 1
43 1 1 1 1 1 QUA HC6 . 0 . HC6 1 1
43 1 2 1 1 2 ILE HA . 1 . HA 1 1
44 1 1 1 1 1 QUA HC6 . 0 . HC6 1 1
44 1 2 1 1 2 ILE MG . 1 . HG2# 1 1
45 1 1 1 1 1 QUA HC71 . 0 . HC71 1 1
45 1 2 1 1 2 ILE HA . 1 . HA 1 1
46 1 1 1 1 1 QUA HC8 . 0 . HC8 1 1
46 1 2 1 1 2 ILE HA . 1 . HA 1 1
47 1 1 1 1 1 QUA HC8 . 0 . HC8 1 1
47 1 2 1 1 2 ILE HB . 1 . HB 1 1
48 1 1 1 1 1 QUA HC8 . 0 . HC8 1 1
48 1 2 1 1 2 ILE HG12 . 1 . HG12 1 1
49 1 1 1 1 2 ILE HA . 1 . HA 1 1
49 1 2 1 1 3 ALA H . 2 . H 1 1
50 1 1 1 1 2 ILE HA . 1 . HA 1 1
50 1 2 1 1 3 ALA HA . 2 . HA 1 1
51 1 1 1 1 2 ILE HB . 1 . HB 1 1
51 1 2 1 1 3 ALA H . 2 . H 1 1
52 1 1 1 1 2 ILE HG12 . 1 . HG12 1 1
52 1 2 1 1 3 ALA H . 2 . H 1 1
53 1 1 1 1 2 ILE HG13 . 1 . HG13 1 1
53 1 2 1 1 3 ALA H . 2 . H 1 1
54 1 1 1 1 2 ILE MG . 1 . HG2# 1 1
54 1 2 1 1 3 ALA H . 2 . H 1 1
55 1 1 1 1 3 ALA HA . 2 . HA 1 1
55 1 2 1 1 4 DHA H . 3 . H 1 1
56 1 1 1 1 3 ALA MB . 2 . HB# 1 1
56 1 2 1 1 4 DHA H . 3 . H 1 1
57 1 1 1 1 3 ALA MB . 2 . HB# 1 1
57 1 2 1 1 4 DHA HB1 . 3 . HB1 1 1
58 1 1 1 1 3 ALA MB . 2 . HB# 1 1
58 1 2 1 1 4 DHA HB2 . 3 . HB2 1 1
59 1 1 1 1 4 DHA H . 3 . H 1 1
59 1 2 1 1 5 ALA H . 4 . H 1 1
60 1 1 1 1 4 DHA H . 3 . H 1 1
60 1 2 1 1 5 ALA MB . 4 . HB# 1 1
61 1 1 1 1 4 DHA HB1 . 3 . HB1 1 1
61 1 2 1 1 5 ALA H . 4 . H 1 1
62 1 1 1 1 4 DHA HB1 . 3 . HB1 1 1
62 1 2 1 1 5 ALA MB . 4 . HB# 1 1
63 1 1 1 1 4 DHA HB2 . 3 . HB2 1 1
63 1 2 1 1 5 ALA H . 4 . H 1 1
64 1 1 1 1 4 DHA HB2 . 3 . HB2 1 1
64 1 2 1 1 5 ALA MB . 4 . HB# 1 1
65 1 1 1 1 5 ALA H . 4 . H 1 1
65 1 2 1 1 6 SER H . 5 . H 1 1
66 1 1 1 1 5 ALA HA . 4 . HA 1 1
66 1 2 1 1 6 SER H . 5 . H 1 1
67 1 1 1 1 5 ALA MB . 4 . HB# 1 1
67 1 2 1 1 6 SER H . 5 . H 1 1
68 1 1 1 1 5 ALA MB . 4 . HB# 1 1
68 1 2 1 1 6 SER HB2 . 5 . HB2 1 1
69 1 1 1 1 6 SER HB2 . 5 . HB2 1 1
69 1 2 1 1 7 . HB . 6 . HB 1 1
70 1 1 1 1 7 . HB . 6 . HB 1 1
70 1 2 1 1 8 THR H . 7 . H 1 1
71 1 1 1 1 7 . HB . 6 . HB 1 1
71 1 2 1 1 8 THR HA . 7 . HA 1 1
72 1 1 1 1 10 CYS HA . 9 . HA 1 1
72 1 2 1 1 11 . H . 10 . H 1 1
73 1 1 1 1 10 CYS HB2 . 9 . HB2 1 1
73 1 2 1 1 11 . HA . 10 . HA 1 1
74 1 1 1 1 11 . HA . 10 . HA 1 1
74 1 2 1 1 12 . HB . 11 . HB 1 1
75 1 1 1 1 12 . HB . 11 . HB 1 1
75 1 2 1 1 13 THR HA . 12 . HA 1 1
76 1 1 1 1 12 . HB . 11 . HB 1 1
76 1 2 1 1 13 THR MG . 12 . HG2# 1 1
77 1 1 1 1 16 . HB . 15 . HB 1 1
77 1 2 1 1 17 DHA H . 16 . H 1 1
78 1 1 1 1 16 . HB . 15 . HB 1 1
78 1 2 1 1 17 DHA HB1 . 16 . HB1 1 1
79 1 1 1 1 17 DHA HB2 . 16 . HB2 1 1
79 1 2 1 1 18 NH2 HN1 . 17 . HN1 1 1
80 1 1 1 1 17 DHA HB2 . 16 . HB2 1 1
80 1 2 1 1 18 NH2 HN2 . 17 . HN2 1 1
81 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
81 1 2 1 1 13 THR MG . 12 . HG2# 1 1
82 1 1 1 1 6 SER H . 5 . H 1 1
82 1 2 1 1 14 . HB . 13 . HB 1 1
83 1 1 1 1 6 SER HB2 . 5 . HB2 1 1
83 1 2 1 1 14 . HB . 13 . HB 1 1
84 1 1 1 1 6 SER HB3 . 5 . HB3 1 1
84 1 2 1 1 14 . HB . 13 . HB 1 1
85 1 1 1 1 6 SER H . 5 . H 1 1
85 1 2 1 1 15 . HB2 . 14 . HB2 1 1
86 1 1 1 1 6 SER HB2 . 5 . HB2 1 1
86 1 2 1 1 15 . HB2 . 14 . HB2 1 1
87 1 1 1 1 6 SER HB2 . 5 . HB2 1 1
87 1 2 1 1 15 . HB3 . 14 . HB3 1 1
88 1 1 1 1 6 SER HB3 . 5 . HB3 1 1
88 1 2 1 1 15 . HB2 . 14 . HB2 1 1
89 1 1 1 1 6 SER HB3 . 5 . HB3 1 1
89 1 2 1 1 15 . HB3 . 14 . HB3 1 1
90 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
90 1 2 1 1 4 DHA HB1 . 3 . HB1 1 1
91 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
91 1 2 1 1 7 . HB . 6 . HB 1 1
92 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
92 1 2 1 1 8 THR HA . 7 . HA 1 1
93 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
93 1 2 1 1 8 THR HB . 7 . HB 1 1
94 1 1 1 1 1 QUA HC3 . 0 . HC3 1 1
94 1 2 1 1 8 THR MG . 7 . HG2# 1 1
95 1 1 1 1 1 QUA HC8 . 0 . HC8 1 1
95 1 2 1 1 3 ALA H . 2 . H 1 1
96 1 1 1 1 1 QUA H13 . 0 . H13 1 1
96 1 2 1 1 7 . HB . 6 . HB 1 1
97 1 1 1 1 3 ALA H . 2 . H 1 1
97 1 2 1 1 13 THR MG . 12 . HG2# 1 1
98 1 1 1 1 3 ALA HA . 2 . HA 1 1
98 1 2 1 1 13 THR MG . 12 . HG2# 1 1
99 1 1 1 1 4 DHA H . 3 . H 1 1
99 1 2 1 1 8 THR H . 7 . H 1 1
100 1 1 1 1 4 DHA H . 3 . H 1 1
100 1 2 1 1 13 THR HB . 12 . HB 1 1
101 1 1 1 1 4 DHA H . 3 . H 1 1
101 1 2 1 1 13 THR MG . 12 . HG2# 1 1
102 1 1 1 1 5 ALA HA . 4 . HA 1 1
102 1 2 1 1 8 THR H . 7 . H 1 1
103 1 1 1 1 5 ALA HA . 4 . HA 1 1
103 1 2 1 1 13 THR HA . 12 . HA 1 1
104 1 1 1 1 5 ALA HA . 4 . HA 1 1
104 1 2 1 1 13 THR HB . 12 . HB 1 1
105 1 1 1 1 5 ALA HA . 4 . HA 1 1
105 1 2 1 1 13 THR MG . 12 . HG2# 1 1
106 1 1 1 1 5 ALA MB . 4 . HB# 1 1
106 1 2 1 1 13 THR HA . 12 . HA 1 1
107 1 1 1 1 5 ALA MB . 4 . HB# 1 1
107 1 2 1 1 13 THR HB . 12 . HB 1 1
108 1 1 1 1 5 ALA MB . 4 . HB# 1 1
108 1 2 1 1 15 . HB2 . 14 . HB2 1 1
109 1 1 1 1 6 SER H . 5 . H 1 1
109 1 2 1 1 8 THR H . 7 . H 1 1
110 1 1 1 1 6 SER H . 5 . H 1 1
110 1 2 1 1 13 THR HA . 12 . HA 1 1
111 1 1 1 1 6 SER H . 5 . H 1 1
111 1 2 1 1 13 THR HB . 12 . HB 1 1
112 1 1 1 1 6 SER H . 5 . H 1 1
112 1 2 1 1 13 THR MG . 12 . HG2# 1 1
113 1 1 1 1 8 THR H . 7 . H 1 1
113 1 2 1 1 14 . HB . 13 . HB 1 1
114 1 1 1 1 8 THR HA . 7 . HA 1 1
114 1 2 1 1 14 . HB . 13 . HB 1 1
115 1 1 1 1 8 THR MG . 7 . HG2# 1 1
115 1 2 1 1 10 CYS HA . 9 . HA 1 1
116 1 1 1 1 8 THR MG . 7 . HG2# 1 1
116 1 2 1 1 11 . H . 10 . H 1 1
117 1 1 1 1 8 THR MG . 7 . HG2# 1 1
117 1 2 1 1 13 THR H . 12 . H 1 1
118 1 1 1 1 8 THR MG . 7 . HG2# 1 1
118 1 2 1 1 13 THR HA . 12 . HA 1 1
119 1 1 1 1 8 THR MG . 7 . HG2# 1 1
119 1 2 1 1 14 . HB . 13 . HB 1 1
120 1 1 1 1 15 . HB2 . 14 . HB2 1 1
120 1 2 1 1 17 DHA H . 16 . H 1 1
121 1 1 1 1 15 . HB3 . 14 . HB3 1 1
121 1 2 1 1 17 DHA H . 16 . H 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 . . . . . 3.61 1.66 5.56 1 1
2 1 . . . . . 4.35 1.51 6.5 1 1
3 1 . . . . . 2.05 1.52 2.58 1 1
4 1 . . . . . 1.84 1.42 2.26 1 1
5 1 . . . . . 4.05 2.0 6.1 1 1
6 1 . . . . . 2.66 1.77 3.55 1 1
7 1 . . . . . 4.5 1.46 6.5 1 1
8 1 . . . . . 2.49 1.71 3.27 1 1
9 1 . . . . . 2.49 1.71 3.27 1 1
10 1 . . . . . 4.18 1.12 6.5 1 1
11 1 . . . . . 2.84 1.83 3.85 1 1
12 1 . . . . . 2.78 1.81 3.75 1 1
13 1 . . . . . 2.2 1.59 2.81 1 1
14 1 . . . . . 2.79 1.82 3.76 1 1
15 1 . . . . . 2.63 1.59 3.67 1 1
16 1 . . . . . 2.45 1.7 3.2 1 1
17 1 . . . . . 3.38 1.66 5.1 1 1
18 1 . . . . . 3.77 1.64 5.9 1 1
19 1 . . . . . 1.67 1.32 2.2 1 1
20 1 . . . . . 2.7 1.79 3.61 1 1
21 1 . . . . . 2.49 1.71 3.27 1 1
22 1 . . . . . 2.37 1.67 3.07 1 1
23 1 . . . . . 3.59 1.66 5.52 1 1
24 1 . . . . . 3.95 1.22 6.5 1 1
25 1 . . . . . 2.57 1.74 3.4 1 1
26 1 . . . . . 2.66 1.78 3.54 1 1
27 1 . . . . . 2.95 1.86 4.04 1 1
28 1 . . . . . 2.76 1.81 3.71 1 1
29 1 . . . . . 2.56 1.74 3.38 1 1
30 1 . . . . . 2.61 1.76 3.46 1 1
31 1 . . . . . 3.22 1.92 4.52 1 1
32 1 . . . . . 2.28 1.63 2.93 1 1
33 1 . . . . . 3.89 1.62 6.16 1 1
34 1 . . . . . 2.82 1.83 3.81 1 1
35 1 . . . . . 2.6 1.76 3.44 1 1
36 1 . . . . . 2.43 1.69 3.17 1 1
37 1 . . . . . 2.13 1.56 2.7 1 1
38 1 . . . . . 2.28 1.63 2.93 1 1
39 1 . . . . . 3.21 1.67 4.75 1 1
40 1 . . . . . 3.58 1.66 5.5 1 1
41 1 . . . . . 1.81 1.4 2.22 1 1
42 1 . . . . . 1.63 1.3 2.2 1 1
43 1 . . . . . 4.74 1.38 6.5 1 1
44 1 . . . . . 3.67 1.31 6.03 1 1
45 1 . . . . . 2.34 1.66 3.02 1 1
46 1 . . . . . 2.23 1.61 2.85 1 1
47 1 . . . . . 5.21 1.14 6.5 1 1
48 1 . . . . . 5.24 0.44 6.5 1 1
49 1 . . . . . 3.31 1.67 4.95 1 1
50 1 . . . . . 4.1 1.16 6.5 1 1
51 1 . . . . . 3.58 1.66 5.5 1 1
52 1 . . . . . 3.18 1.66 4.7 1 1
53 1 . . . . . 3.97 1.61 6.33 1 1
54 1 . . . . . 3.98 1.6 6.36 1 1
55 1 . . . . . 2.06 1.53 2.59 1 1
56 1 . . . . . 2.74 1.8 3.68 1 1
57 1 . . . . . 3.81 1.27 6.35 1 1
58 1 . . . . . 4.07 1.17 6.5 1 1
59 1 . . . . . 3.27 1.67 4.87 1 1
60 1 . . . . . 3.23 1.66 4.8 1 1
61 1 . . . . . 3.48 1.97 4.99 1 1
62 1 . . . . . 3.36 1.66 5.06 1 1
63 1 . . . . . 1.81 1.4 2.22 1 1
64 1 . . . . . 4.01 1.6 6.42 1 1
65 1 . . . . . 3.57 1.66 5.48 1 1
66 1 . . . . . 2.16 1.58 2.74 1 1
67 1 . . . . . 3.49 1.67 5.31 1 1
68 1 . . . . . 3.68 1.31 6.05 1 1
69 1 . . . . . 3.73 1.64 5.82 1 1
70 1 . . . . . 3.92 1.61 6.23 1 1
71 1 . . . . . 4.74 0.81 6.5 1 1
72 1 . . . . . 3.28 1.67 4.89 1 1
73 1 . . . . . 4.31 1.05 6.5 1 1
74 1 . . . . . 4.74 0.81 6.5 1 1
75 1 . . . . . 4.32 1.05 6.5 1 1
76 1 . . . . . 3.3 1.4 5.2 1 1
77 1 . . . . . 3.97 1.21 6.5 1 1
78 1 . . . . . 4.35 1.51 6.5 1 1
79 1 . . . . . 3.29 1.94 4.64 1 1
80 1 . . . . . 2.22 1.48 2.96 1 1
81 1 . . . . . 3.98 1.2 6.5 1 1
82 1 . . . . . 4.33 1.05 6.5 1 1
83 1 . . . . . 5.51 0.2 6.5 1 1
84 1 . . . . . 4.42 1.49 6.5 1 1
85 1 . . . . . 3.2 1.67 4.73 1 1
86 1 . . . . . 2.94 1.86 4.02 1 1
87 1 . . . . . 3.23 1.67 4.79 1 1
88 1 . . . . . 2.64 1.77 3.51 1 1
89 1 . . . . . 2.79 1.82 3.76 1 1
90 1 . . . . . 3.46 1.66 5.26 1 1
91 1 . . . . . 3.22 1.93 4.51 1 1
92 1 . . . . . 4.44 1.48 6.5 1 1
93 1 . . . . . 4.11 1.15 6.5 1 1
94 1 . . . . . 3.89 1.25 6.5 1 1
95 1 . . . . . 3.54 1.66 5.42 1 1
96 1 . . . . . 4.34 1.51 6.5 1 1
97 1 . . . . . 4.07 1.17 6.5 1 1
98 1 . . . . . 3.04 1.88 4.2 1 1
99 1 . . . . . 3.76 1.29 6.23 1 1
100 1 . . . . . 3.5 1.66 5.34 1 1
101 1 . . . . . 2.48 1.71 3.25 1 1
102 1 . . . . . 4.11 1.57 6.5 1 1
103 1 . . . . . 4.94 0.67 6.5 1 1
104 1 . . . . . 2.68 1.78 3.58 1 1
105 1 . . . . . 3.51 1.67 5.35 1 1
106 1 . . . . . 4.86 0.72 6.5 1 1
107 1 . . . . . 4.56 1.44 6.5 1 1
108 1 . . . . . 3.66 1.65 5.67 1 1
109 1 . . . . . 3.64 1.32 5.96 1 1
110 1 . . . . . 3.88 1.63 6.13 1 1
111 1 . . . . . 2.58 1.75 3.41 1 1
112 1 . . . . . 4.04 1.6 6.48 1 1
113 1 . . . . . 2.49 1.71 3.27 1 1
114 1 . . . . . 4.88 1.31 6.5 1 1
115 1 . . . . . 4.56 0.93 6.5 1 1
116 1 . . . . . 2.67 1.78 3.56 1 1
117 1 . . . . . 2.97 1.87 4.07 1 1
118 1 . . . . . 4.67 1.4 6.5 1 1
119 1 . . . . . 3.48 1.67 5.29 1 1
120 1 . . . . . 3.97 1.6 6.34 1 1
121 1 . . . . . 3.75 1.64 5.86 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 2
2 1 . . . 1 2
3 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 1 QUA H13 . 0 . H13 1 2
1 1 1 1 1 4 DHA HB2 . 3 . HB2 1 2
1 1 2 1 1 1 QUA HC3 . 0 . HC3 1 2
2 1 1 1 1 1 QUA HC6 . 0 . HC6 1 2
2 1 2 1 1 1 QUA HC8 . 0 . HC8 1 2
2 1 2 1 1 8 THR HA . 7 . HA 1 2
3 1 1 1 1 1 QUA HC8 . 0 . HC8 1 2
3 1 1 1 1 8 THR HA . 7 . HA 1 2
3 1 2 1 1 8 THR MG . 7 . HG2# 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 . . . . . 3.15 1.66 4.64 1 2
2 1 . . . . . 4.92 0.69 6.5 1 2
3 1 . . . . . 3.48 1.66 5.3 1 2
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 QUA C10 C -3.691 -2.426 -2.036 1.00 . A A . 0 QUA C10 1 1
1 2 1 1 1 QUA C11 C -0.163 -1.348 0.058 1.00 . A A . 0 QUA C11 1 1
1 3 1 1 1 QUA C13 C -2.376 -2.788 -4.185 1.00 . A A . 0 QUA C13 1 1
1 4 1 1 1 QUA C14 C -2.407 -4.306 -4.325 1.00 . A A . 0 QUA C14 1 1
1 5 1 1 1 QUA C2 C -1.422 -1.726 -0.658 1.00 . A A . 0 QUA C2 1 1
1 6 1 1 1 QUA C3 C -1.313 -2.055 -2.005 1.00 . A A . 0 QUA C3 1 1
1 7 1 1 1 QUA C4 C -2.465 -2.411 -2.710 1.00 . A A . 0 QUA C4 1 1
1 8 1 1 1 QUA C5 C -4.962 -2.775 -2.699 1.00 . A A . 0 QUA C5 1 1
1 9 1 1 1 QUA C6 C -6.004 -3.121 -2.019 1.00 . A A . 0 QUA C6 1 1
1 10 1 1 1 QUA C7 C -5.964 -3.200 -0.495 1.00 . A A . 0 QUA C7 1 1
1 11 1 1 1 QUA C8 C -5.021 -2.108 0.080 1.00 . A A . 0 QUA C8 1 1
1 12 1 1 1 QUA C9 C -3.705 -2.085 -0.691 1.00 . A A . 0 QUA C9 1 1
1 13 1 1 1 QUA H13 H -3.222 -2.380 -4.715 1.00 . A A . 0 QUA H13 1 1
1 14 1 1 1 QUA H141 H -2.599 -4.570 -5.354 1.00 . A A . 0 QUA H141 1 1
1 15 1 1 1 QUA H142 H -3.189 -4.715 -3.694 1.00 . A A . 0 QUA H142 1 1
1 16 1 1 1 QUA H143 H -1.455 -4.714 -4.022 1.00 . A A . 0 QUA H143 1 1
1 17 1 1 1 QUA H15 H -1.366 -1.952 -5.660 1.00 . A A . 0 QUA H15 1 1
1 18 1 1 1 QUA H16 H -5.060 -0.179 -0.329 1.00 . A A . 0 QUA H16 1 1
1 19 1 1 1 QUA HC3 H -0.353 -2.033 -2.499 1.00 . A A . 0 QUA HC3 1 1
1 20 1 1 1 QUA HC5 H -5.032 -2.735 -3.772 1.00 . A A . 0 QUA HC5 1 1
1 21 1 1 1 QUA HC6 H -6.914 -3.366 -2.542 1.00 . A A . 0 QUA HC6 1 1
1 22 1 1 1 QUA HC71 H -6.955 -3.077 -0.089 1.00 . A A . 0 QUA HC71 1 1
1 23 1 1 1 QUA HC8 H -4.824 -2.342 1.116 1.00 . A A . 0 QUA HC8 1 1
1 24 1 1 1 QUA N1 N -2.601 -1.735 0.024 1.00 . A A . 0 QUA N1 1 1
1 25 1 1 1 QUA O12 O 0.942 -1.331 -0.485 1.00 . A A . 0 QUA O12 1 1
1 26 1 1 1 QUA O15 O -1.175 -2.279 -4.779 1.00 . A A . 0 QUA O15 1 1
1 27 1 1 1 QUA O16 O -5.670 -0.834 0.016 1.00 . A A . 0 QUA O16 1 1
1 28 1 1 2 ILE C C -4.407 -5.057 1.998 1.00 . A A . 1 ILE C 1 1
1 29 1 1 2 ILE CA C -5.710 -5.015 1.205 1.00 . A A . 1 ILE CA 1 1
1 30 1 1 2 ILE CB C -6.378 -6.412 1.242 1.00 . A A . 1 ILE CB 1 1
1 31 1 1 2 ILE CD1 C -5.260 -7.228 -0.953 1.00 . A A . 1 ILE CD1 1 1
1 32 1 1 2 ILE CG1 C -5.522 -7.484 0.526 1.00 . A A . 1 ILE CG1 1 1
1 33 1 1 2 ILE CG2 C -7.774 -6.343 0.638 1.00 . A A . 1 ILE CG2 1 1
1 34 1 1 2 ILE H H -4.505 -4.616 -0.382 1.00 . A A . 1 ILE H 1 1
1 35 1 1 2 ILE HA H -6.378 -4.305 1.670 1.00 . A A . 1 ILE HA 1 1
1 36 1 1 2 ILE HB H -6.487 -6.693 2.279 1.00 . A A . 1 ILE HB 1 1
1 37 1 1 2 ILE HD11 H -4.941 -8.147 -1.423 1.00 . A A . 1 ILE HD11 1 1
1 38 1 1 2 ILE HD12 H -4.482 -6.483 -1.063 1.00 . A A . 1 ILE HD12 1 1
1 39 1 1 2 ILE HD13 H -6.163 -6.877 -1.429 1.00 . A A . 1 ILE HD13 1 1
1 40 1 1 2 ILE HG12 H -4.566 -7.555 1.016 1.00 . A A . 1 ILE HG12 1 1
1 41 1 1 2 ILE HG13 H -6.026 -8.437 0.607 1.00 . A A . 1 ILE HG13 1 1
1 42 1 1 2 ILE HG21 H -8.175 -7.341 0.543 1.00 . A A . 1 ILE HG21 1 1
1 43 1 1 2 ILE HG22 H -7.724 -5.878 -0.336 1.00 . A A . 1 ILE HG22 1 1
1 44 1 1 2 ILE HG23 H -8.414 -5.758 1.282 1.00 . A A . 1 ILE HG23 1 1
1 45 1 1 2 ILE N N -5.466 -4.572 -0.191 1.00 . A A . 1 ILE N 1 1
1 46 1 1 2 ILE O O -4.373 -4.710 3.178 1.00 . A A . 1 ILE O 1 1
1 47 1 1 3 ALA C C -0.941 -5.793 0.897 1.00 . A A . 2 ALA C 1 1
1 48 1 1 3 ALA CA C -2.019 -5.565 1.950 1.00 . A A . 2 ALA CA 1 1
1 49 1 1 3 ALA CB C -1.986 -6.677 2.990 1.00 . A A . 2 ALA CB 1 1
1 50 1 1 3 ALA H H -3.438 -5.754 0.394 1.00 . A A . 2 ALA H 1 1
1 51 1 1 3 ALA HA H -1.828 -4.627 2.452 1.00 . A A . 2 ALA HA 1 1
1 52 1 1 3 ALA HB1 H -2.699 -6.462 3.772 1.00 . A A . 2 ALA HB1 1 1
1 53 1 1 3 ALA HB2 H -0.995 -6.742 3.415 1.00 . A A . 2 ALA HB2 1 1
1 54 1 1 3 ALA HB3 H -2.239 -7.616 2.521 1.00 . A A . 2 ALA HB3 1 1
1 55 1 1 3 ALA N N -3.338 -5.485 1.331 1.00 . A A . 2 ALA N 1 1
1 56 1 1 3 ALA O O -0.955 -6.805 0.196 1.00 . A A . 2 ALA O 1 1
1 57 1 1 4 DHA C C 2.149 -3.907 0.287 1.00 . A A . 3 DHA C 1 1
1 58 1 1 4 DHA CA C 1.122 -4.832 -0.129 1.00 . A A . 3 DHA CA 1 1
1 59 1 1 4 DHA CB C 1.246 -5.566 -1.223 1.00 . A A . 3 DHA CB 1 1
1 60 1 1 4 DHA H H -0.073 -4.094 1.427 1.00 . A A . 3 DHA H 1 1
1 61 1 1 4 DHA HB1 H 0.467 -6.257 -1.503 1.00 . A A . 3 DHA HB1 1 1
1 62 1 1 4 DHA HB2 H 2.133 -5.480 -1.833 1.00 . A A . 3 DHA HB2 1 1
1 63 1 1 4 DHA N N -0.008 -4.847 0.802 1.00 . A A . 3 DHA N 1 1
1 64 1 1 4 DHA O O 1.953 -3.290 1.330 1.00 . A A . 3 DHA O 1 1
1 65 1 1 5 ALA C C 4.481 -1.753 -1.158 1.00 . A A . 4 ALA C 1 1
1 66 1 1 5 ALA CA C 4.267 -2.800 -0.073 1.00 . A A . 4 ALA CA 1 1
1 67 1 1 5 ALA CB C 5.548 -3.553 0.222 1.00 . A A . 4 ALA CB 1 1
1 68 1 1 5 ALA H H 3.327 -4.253 -1.284 1.00 . A A . 4 ALA H 1 1
1 69 1 1 5 ALA HA H 3.954 -2.301 0.833 1.00 . A A . 4 ALA HA 1 1
1 70 1 1 5 ALA HB1 H 5.347 -4.307 0.971 1.00 . A A . 4 ALA HB1 1 1
1 71 1 1 5 ALA HB2 H 6.295 -2.867 0.591 1.00 . A A . 4 ALA HB2 1 1
1 72 1 1 5 ALA HB3 H 5.902 -4.028 -0.679 1.00 . A A . 4 ALA HB3 1 1
1 73 1 1 5 ALA N N 3.227 -3.737 -0.458 1.00 . A A . 4 ALA N 1 1
1 74 1 1 5 ALA O O 4.866 -2.082 -2.280 1.00 . A A . 4 ALA O 1 1
1 75 1 1 6 SER C C 3.256 0.488 -2.834 1.00 . A A . 5 SER C 1 1
1 76 1 1 6 SER CA C 4.297 0.624 -1.823 1.00 . A A . 5 SER CA 1 1
1 77 1 1 6 SER CB C 5.725 0.714 -2.434 1.00 . A A . 5 SER CB 1 1
1 78 1 1 6 SER H H 3.970 -0.289 0.113 1.00 . A A . 5 SER H 1 1
1 79 1 1 6 SER HB2 H 5.913 -0.149 -3.054 1.00 . A A . 5 SER HB2 1 1
1 80 1 1 6 SER HB3 H 5.808 1.611 -3.030 1.00 . A A . 5 SER HB3 1 1
1 81 1 1 6 SER N N 4.218 -0.489 -0.813 1.00 . A A . 5 SER N 1 1
1 82 1 1 7 . C C -0.118 0.852 -3.956 1.00 . A A . 6 BB9 C 1 1
1 83 1 1 7 . CA C 1.297 0.566 -3.832 1.00 . A A . 6 BB9 CA 1 1
1 84 1 1 7 . CB C 2.058 -0.004 -4.894 1.00 . A A . 6 BB9 CB 1 1
1 85 1 1 7 . HB H 1.679 -0.279 -5.867 1.00 . A A . 6 BB9 HB 1 1
1 86 1 1 7 . N N 2.009 0.819 -2.714 1.00 . A A . 6 BB9 N 1 1
1 87 1 1 7 . O O -0.781 0.658 -4.975 1.00 . A A . 6 BB9 O 1 1
1 88 1 1 7 . SG S 3.649 -0.178 -4.375 1.00 . A A . 6 BB9 SG 1 1
1 89 1 1 8 THR C C -1.880 3.441 -2.629 1.00 . A A . 7 THR C 1 1
1 90 1 1 8 THR CA C -1.979 1.933 -2.815 1.00 . A A . 7 THR CA 1 1
1 91 1 1 8 THR CB C -2.877 1.335 -1.710 1.00 . A A . 7 THR CB 1 1
1 92 1 1 8 THR CG2 C -2.263 1.525 -0.331 1.00 . A A . 7 THR CG2 1 1
1 93 1 1 8 THR H H -0.138 1.282 -1.997 1.00 . A A . 7 THR H 1 1
1 94 1 1 8 THR HA H -2.445 1.735 -3.770 1.00 . A A . 7 THR HA 1 1
1 95 1 1 8 THR HB H -2.986 0.279 -1.895 1.00 . A A . 7 THR HB 1 1
1 96 1 1 8 THR HG1 H -4.808 1.329 -2.109 1.00 . A A . 7 THR HG1 1 1
1 97 1 1 8 THR HG21 H -2.260 2.574 -0.076 1.00 . A A . 7 THR HG21 1 1
1 98 1 1 8 THR HG22 H -1.251 1.152 -0.334 1.00 . A A . 7 THR HG22 1 1
1 99 1 1 8 THR HG23 H -2.845 0.980 0.399 1.00 . A A . 7 THR HG23 1 1
1 100 1 1 8 THR N N -0.649 1.336 -2.832 1.00 . A A . 7 THR N 1 1
1 101 1 1 8 THR O O -0.822 3.963 -2.280 1.00 . A A . 7 THR O 1 1
1 102 1 1 8 THR OG1 O -4.171 1.948 -1.745 1.00 . A A . 7 THR OG1 1 1
1 103 1 1 9 DBU C C -3.441 6.231 -1.610 1.00 . A A . 8 DBU C 1 1
1 104 1 1 9 DBU CA C -3.067 5.592 -2.890 1.00 . A A . 8 DBU CA 1 1
1 105 1 1 9 DBU CB C -2.825 6.316 -3.970 1.00 . A A . 8 DBU CB 1 1
1 106 1 1 9 DBU CG C -2.425 5.677 -5.307 1.00 . A A . 8 DBU CG 1 1
1 107 1 1 9 DBU HG1 H -1.999 6.428 -5.953 1.00 . A A . 8 DBU HG1 1 1
1 108 1 1 9 DBU HG2 H -3.299 5.251 -5.777 1.00 . A A . 8 DBU HG2 1 1
1 109 1 1 9 DBU HG3 H -1.696 4.895 -5.127 1.00 . A A . 8 DBU HG3 1 1
1 110 1 1 9 DBU N N -2.982 4.133 -2.862 1.00 . A A . 8 DBU N 1 1
1 111 1 1 10 CYS C C -4.649 5.670 1.673 1.00 . A A . 9 CYS C 1 1
1 112 1 1 10 CYS CA C -3.857 6.429 0.635 1.00 . A A . 9 CYS CA 1 1
1 113 1 1 10 CYS CB C -4.677 7.583 0.064 1.00 . A A . 9 CYS CB 1 1
1 114 1 1 10 CYS HA H -2.969 6.837 1.099 1.00 . A A . 9 CYS HA 1 1
1 115 1 1 10 CYS HB2 H -5.717 7.291 -0.039 1.00 . A A . 9 CYS HB2 1 1
1 116 1 1 10 CYS HB3 H -4.583 8.460 0.679 1.00 . A A . 9 CYS HB3 1 1
1 117 1 1 10 CYS N N -3.445 5.581 -0.484 1.00 . A A . 9 CYS N 1 1
1 118 1 1 10 CYS O O -5.395 6.297 2.426 1.00 . A A . 9 CYS O 1 1
1 119 1 1 10 CYS SG S -3.922 7.893 -1.539 1.00 . A A . 9 CYS SG 1 1
1 120 1 1 11 . C C -4.073 2.933 3.650 1.00 . A A . 10 TS9 C 1 1
1 121 1 1 11 . CA C -5.140 3.525 2.728 1.00 . A A . 10 TS9 CA 1 1
1 122 1 1 11 . CB C -6.001 2.396 2.062 1.00 . A A . 10 TS9 CB 1 1
1 123 1 1 11 . CD1 C -7.776 2.125 0.164 1.00 . A A . 10 TS9 CD1 1 1
1 124 1 1 11 . CG1 C -6.953 3.078 1.019 1.00 . A A . 10 TS9 CG1 1 1
1 125 1 1 11 . CG2 C -6.790 1.654 3.094 1.00 . A A . 10 TS9 CG2 1 1
1 126 1 1 11 . H H -3.922 3.916 1.046 1.00 . A A . 10 TS9 H 1 1
1 127 1 1 11 . HA H -5.789 4.165 3.308 1.00 . A A . 10 TS9 HA 1 1
1 128 1 1 11 . HD11 H -8.464 1.578 0.792 1.00 . A A . 10 TS9 HD11 1 1
1 129 1 1 11 . HD12 H -7.118 1.432 -0.336 1.00 . A A . 10 TS9 HD12 1 1
1 130 1 1 11 . HD13 H -8.331 2.689 -0.571 1.00 . A A . 10 TS9 HD13 1 1
1 131 1 1 11 . HD2 H -7.446 4.791 1.870 1.00 . A A . 10 TS9 HD2 1 1
1 132 1 1 11 . HG1 H -6.369 3.700 0.358 1.00 . A A . 10 TS9 HG1 1 1
1 133 1 1 11 . HG21 H -6.117 1.121 3.749 1.00 . A A . 10 TS9 HG21 1 1
1 134 1 1 11 . HG22 H -7.450 0.951 2.610 1.00 . A A . 10 TS9 HG22 1 1
1 135 1 1 11 . HG23 H -7.373 2.355 3.674 1.00 . A A . 10 TS9 HG23 1 1
1 136 1 1 11 . HG3 H -4.335 1.952 1.135 1.00 . A A . 10 TS9 HG3 1 1
1 137 1 1 11 . N N -4.492 4.349 1.716 1.00 . A A . 10 TS9 N 1 1
1 138 1 1 11 . OD2 O -7.837 3.919 1.774 1.00 . A A . 10 TS9 OD2 1 1
1 139 1 1 11 . OG3 O -5.143 1.497 1.383 1.00 . A A . 10 TS9 OG3 1 1
1 140 1 1 12 . C C -0.877 1.419 4.147 1.00 . A A . 11 BB9 C 1 1
1 141 1 1 12 . CA C -2.196 2.005 4.296 1.00 . A A . 11 BB9 CA 1 1
1 142 1 1 12 . CB C -2.826 2.154 5.572 1.00 . A A . 11 BB9 CB 1 1
1 143 1 1 12 . HB H -2.404 1.857 6.521 1.00 . A A . 11 BB9 HB 1 1
1 144 1 1 12 . N N -2.935 2.456 3.258 1.00 . A A . 11 BB9 N 1 1
1 145 1 1 12 . O O -0.184 1.025 5.084 1.00 . A A . 11 BB9 O 1 1
1 146 1 1 12 . SG S -4.334 2.867 5.347 1.00 . A A . 11 BB9 SG 1 1
1 147 1 1 13 THR C C 1.429 1.533 1.334 1.00 . A A . 12 THR C 1 1
1 148 1 1 13 THR CA C 0.828 0.781 2.520 1.00 . A A . 12 THR CA 1 1
1 149 1 1 13 THR CB C 0.745 -0.731 2.217 1.00 . A A . 12 THR CB 1 1
1 150 1 1 13 THR CG2 C 0.514 -1.537 3.483 1.00 . A A . 12 THR CG2 1 1
1 151 1 1 13 THR H H -1.080 1.644 2.164 1.00 . A A . 12 THR H 1 1
1 152 1 1 13 THR HA H 1.475 0.907 3.375 1.00 . A A . 12 THR HA 1 1
1 153 1 1 13 THR HB H 1.668 -1.056 1.759 1.00 . A A . 12 THR HB 1 1
1 154 1 1 13 THR HG21 H -0.462 -1.308 3.883 1.00 . A A . 12 THR HG21 1 1
1 155 1 1 13 THR HG22 H 1.270 -1.287 4.212 1.00 . A A . 12 THR HG22 1 1
1 156 1 1 13 THR HG23 H 0.569 -2.590 3.253 1.00 . A A . 12 THR HG23 1 1
1 157 1 1 13 THR N N -0.481 1.333 2.875 1.00 . A A . 12 THR N 1 1
1 158 1 1 13 THR OG1 O -0.405 -1.018 1.326 1.00 . A A . 12 THR OG1 1 1
1 159 1 1 14 . C C 4.145 1.947 -0.990 1.00 . A A . 13 BB9 C 1 1
1 160 1 1 14 . CA C 2.849 2.099 -0.240 1.00 . A A . 13 BB9 CA 1 1
1 161 1 1 14 . CB C 1.827 3.065 -0.500 1.00 . A A . 13 BB9 CB 1 1
1 162 1 1 14 . HB H 1.851 3.812 -1.278 1.00 . A A . 13 BB9 HB 1 1
1 163 1 1 14 . N N 2.577 1.270 0.794 1.00 . A A . 13 BB9 N 1 1
1 164 1 1 14 . SG S 0.580 2.840 0.608 1.00 . A A . 13 BB9 SG 1 1
1 165 1 1 15 . C C 7.298 1.675 0.958 1.00 . A A . 14 MH6 C 1 1
1 166 1 1 15 . CA C 6.327 1.515 -0.144 1.00 . A A . 14 MH6 CA 1 1
1 167 1 1 15 . CB C 6.777 0.759 -1.326 1.00 . A A . 14 MH6 CB 1 1
1 168 1 1 15 . HB2 H 7.003 -0.254 -1.029 1.00 . A A . 14 MH6 HB2 1 1
1 169 1 1 15 . HB3 H 7.673 1.214 -1.727 1.00 . A A . 14 MH6 HB3 1 1
1 170 1 1 15 . N N 5.175 2.057 0.050 1.00 . A A . 14 MH6 N 1 1
1 171 1 1 16 . C C 10.539 1.063 2.305 1.00 . A A . 15 BB9 C 1 1
1 172 1 1 16 . CA C 9.173 1.483 2.067 1.00 . A A . 15 BB9 CA 1 1
1 173 1 1 16 . CB C 8.426 2.245 3.021 1.00 . A A . 15 BB9 CB 1 1
1 174 1 1 16 . HB H 8.785 2.577 3.983 1.00 . A A . 15 BB9 HB 1 1
1 175 1 1 16 . N N 8.495 1.192 0.934 1.00 . A A . 15 BB9 N 1 1
1 176 1 1 16 . O O 11.178 1.319 3.324 1.00 . A A . 15 BB9 O 1 1
1 177 1 1 16 . SG S 6.891 2.538 2.389 1.00 . A A . 15 BB9 SG 1 1
1 178 1 1 17 DHA C C 12.579 -1.059 0.028 1.00 . A A . 16 DHA C 1 1
1 179 1 1 17 DHA CA C 12.397 -0.203 1.191 1.00 . A A . 16 DHA CA 1 1
1 180 1 1 17 DHA CB C 13.390 0.019 2.040 1.00 . A A . 16 DHA CB 1 1
1 181 1 1 17 DHA H H 10.424 0.172 0.544 1.00 . A A . 16 DHA H 1 1
1 182 1 1 17 DHA HB1 H 14.355 -0.440 1.873 1.00 . A A . 16 DHA HB1 1 1
1 183 1 1 17 DHA HB2 H 13.241 0.654 2.897 1.00 . A A . 16 DHA HB2 1 1
1 184 1 1 17 DHA N N 11.034 0.350 1.289 1.00 . A A . 16 DHA N 1 1
1 185 1 1 17 DHA O O 11.610 -1.220 -0.715 1.00 . A A . 16 DHA O 1 1
1 186 1 1 18 NH2 HN1 H 13.876 -2.203 -0.978 1.00 . A A . 17 NH2 HN1 1 1
1 187 1 1 18 NH2 HN2 H 14.496 -1.464 0.430 1.00 . A A . 17 NH2 HN2 1 1
1 188 1 1 18 NH2 N N 13.759 -1.627 -0.194 1.00 . A A . 17 NH2 N 1 1
2 189 1 1 1 QUA C10 C -3.709 -2.441 -2.057 1.00 . A A . 0 QUA C10 1 1
2 190 1 1 1 QUA C11 C -0.185 -1.364 0.046 1.00 . A A . 0 QUA C11 1 1
2 191 1 1 1 QUA C13 C -2.386 -2.815 -4.199 1.00 . A A . 0 QUA C13 1 1
2 192 1 1 1 QUA C14 C -2.416 -4.335 -4.333 1.00 . A A . 0 QUA C14 1 1
2 193 1 1 1 QUA C2 C -1.444 -1.741 -0.673 1.00 . A A . 0 QUA C2 1 1
2 194 1 1 1 QUA C3 C -1.331 -2.076 -2.018 1.00 . A A . 0 QUA C3 1 1
2 195 1 1 1 QUA C4 C -2.480 -2.432 -2.726 1.00 . A A . 0 QUA C4 1 1
2 196 1 1 1 QUA C5 C -4.977 -2.789 -2.725 1.00 . A A . 0 QUA C5 1 1
2 197 1 1 1 QUA C6 C -6.023 -3.131 -2.049 1.00 . A A . 0 QUA C6 1 1
2 198 1 1 1 QUA C7 C -5.991 -3.205 -0.525 1.00 . A A . 0 QUA C7 1 1
2 199 1 1 1 QUA C8 C -5.047 -2.113 0.052 1.00 . A A . 0 QUA C8 1 1
2 200 1 1 1 QUA C9 C -3.729 -2.095 -0.713 1.00 . A A . 0 QUA C9 1 1
2 201 1 1 1 QUA H13 H -3.230 -2.410 -4.734 1.00 . A A . 0 QUA H13 1 1
2 202 1 1 1 QUA H141 H -1.465 -4.742 -4.024 1.00 . A A . 0 QUA H141 1 1
2 203 1 1 1 QUA H142 H -2.606 -4.603 -5.361 1.00 . A A . 0 QUA H142 1 1
2 204 1 1 1 QUA H143 H -3.200 -4.739 -3.703 1.00 . A A . 0 QUA H143 1 1
2 205 1 1 1 QUA H15 H -0.712 -3.026 -5.224 1.00 . A A . 0 QUA H15 1 1
2 206 1 1 1 QUA H16 H -6.344 -0.767 0.684 1.00 . A A . 0 QUA H16 1 1
2 207 1 1 1 QUA HC3 H -0.369 -2.059 -2.508 1.00 . A A . 0 QUA HC3 1 1
2 208 1 1 1 QUA HC5 H -5.042 -2.752 -3.799 1.00 . A A . 0 QUA HC5 1 1
2 209 1 1 1 QUA HC6 H -6.932 -3.375 -2.575 1.00 . A A . 0 QUA HC6 1 1
2 210 1 1 1 QUA HC71 H -6.983 -3.079 -0.125 1.00 . A A . 0 QUA HC71 1 1
2 211 1 1 1 QUA HC8 H -4.857 -2.344 1.089 1.00 . A A . 0 QUA HC8 1 1
2 212 1 1 1 QUA N1 N -2.626 -1.745 0.006 1.00 . A A . 0 QUA N1 1 1
2 213 1 1 1 QUA O12 O 0.922 -1.354 -0.494 1.00 . A A . 0 QUA O12 1 1
2 214 1 1 1 QUA O15 O -1.183 -2.309 -4.792 1.00 . A A . 0 QUA O15 1 1
2 215 1 1 1 QUA O16 O -5.695 -0.837 -0.020 1.00 . A A . 0 QUA O16 1 1
2 216 1 1 2 ILE C C -4.428 -5.029 1.973 1.00 . A A . 1 ILE C 1 1
2 217 1 1 2 ILE CA C -5.733 -5.012 1.183 1.00 . A A . 1 ILE CA 1 1
2 218 1 1 2 ILE CB C -6.385 -6.417 1.236 1.00 . A A . 1 ILE CB 1 1
2 219 1 1 2 ILE CD1 C -5.239 -7.246 -0.938 1.00 . A A . 1 ILE CD1 1 1
2 220 1 1 2 ILE CG1 C -5.514 -7.489 0.541 1.00 . A A . 1 ILE CG1 1 1
2 221 1 1 2 ILE CG2 C -7.777 -6.374 0.623 1.00 . A A . 1 ILE CG2 1 1
2 222 1 1 2 ILE H H -4.540 -4.631 -0.416 1.00 . A A . 1 ILE H 1 1
2 223 1 1 2 ILE HA H -6.410 -4.306 1.644 1.00 . A A . 1 ILE HA 1 1
2 224 1 1 2 ILE HB H -6.497 -6.686 2.277 1.00 . A A . 1 ILE HB 1 1
2 225 1 1 2 ILE HD11 H -6.142 -6.912 -1.425 1.00 . A A . 1 ILE HD11 1 1
2 226 1 1 2 ILE HD12 H -4.906 -8.166 -1.395 1.00 . A A . 1 ILE HD12 1 1
2 227 1 1 2 ILE HD13 H -4.469 -6.494 -1.048 1.00 . A A . 1 ILE HD13 1 1
2 228 1 1 2 ILE HG12 H -4.561 -7.547 1.042 1.00 . A A . 1 ILE HG12 1 1
2 229 1 1 2 ILE HG13 H -6.011 -8.444 0.628 1.00 . A A . 1 ILE HG13 1 1
2 230 1 1 2 ILE HG21 H -8.435 -5.806 1.265 1.00 . A A . 1 ILE HG21 1 1
2 231 1 1 2 ILE HG22 H -8.156 -7.379 0.517 1.00 . A A . 1 ILE HG22 1 1
2 232 1 1 2 ILE HG23 H -7.730 -5.902 -0.347 1.00 . A A . 1 ILE HG23 1 1
2 233 1 1 2 ILE N N -5.499 -4.579 -0.217 1.00 . A A . 1 ILE N 1 1
2 234 1 1 2 ILE O O -4.395 -4.671 3.150 1.00 . A A . 1 ILE O 1 1
2 235 1 1 3 ALA C C -0.957 -5.726 0.866 1.00 . A A . 2 ALA C 1 1
2 236 1 1 3 ALA CA C -2.034 -5.499 1.921 1.00 . A A . 2 ALA CA 1 1
2 237 1 1 3 ALA CB C -1.977 -6.598 2.974 1.00 . A A . 2 ALA CB 1 1
2 238 1 1 3 ALA H H -3.455 -5.726 0.373 1.00 . A A . 2 ALA H 1 1
2 239 1 1 3 ALA HA H -1.854 -4.553 2.409 1.00 . A A . 2 ALA HA 1 1
2 240 1 1 3 ALA HB1 H -2.204 -7.549 2.516 1.00 . A A . 2 ALA HB1 1 1
2 241 1 1 3 ALA HB2 H -2.700 -6.390 3.751 1.00 . A A . 2 ALA HB2 1 1
2 242 1 1 3 ALA HB3 H -0.988 -6.632 3.405 1.00 . A A . 2 ALA HB3 1 1
2 243 1 1 3 ALA N N -3.355 -5.447 1.306 1.00 . A A . 2 ALA N 1 1
2 244 1 1 3 ALA O O -0.991 -6.719 0.140 1.00 . A A . 2 ALA O 1 1
2 245 1 1 4 DHA C C 2.172 -3.889 0.287 1.00 . A A . 3 DHA C 1 1
2 246 1 1 4 DHA CA C 1.117 -4.776 -0.147 1.00 . A A . 3 DHA CA 1 1
2 247 1 1 4 DHA CB C 1.211 -5.474 -1.267 1.00 . A A . 3 DHA CB 1 1
2 248 1 1 4 DHA H H -0.042 -4.069 1.451 1.00 . A A . 3 DHA H 1 1
2 249 1 1 4 DHA HB1 H 0.411 -6.135 -1.561 1.00 . A A . 3 DHA HB1 1 1
2 250 1 1 4 DHA HB2 H 2.092 -5.387 -1.885 1.00 . A A . 3 DHA HB2 1 1
2 251 1 1 4 DHA N N -0.002 -4.798 0.796 1.00 . A A . 3 DHA N 1 1
2 252 1 1 4 DHA O O 2.005 -3.304 1.354 1.00 . A A . 3 DHA O 1 1
2 253 1 1 5 ALA C C 4.525 -1.747 -1.152 1.00 . A A . 4 ALA C 1 1
2 254 1 1 5 ALA CA C 4.302 -2.804 -0.079 1.00 . A A . 4 ALA CA 1 1
2 255 1 1 5 ALA CB C 5.569 -3.587 0.196 1.00 . A A . 4 ALA CB 1 1
2 256 1 1 5 ALA H H 3.321 -4.215 -1.310 1.00 . A A . 4 ALA H 1 1
2 257 1 1 5 ALA HA H 4.004 -2.314 0.836 1.00 . A A . 4 ALA HA 1 1
2 258 1 1 5 ALA HB1 H 5.923 -4.031 -0.722 1.00 . A A . 4 ALA HB1 1 1
2 259 1 1 5 ALA HB2 H 5.352 -4.365 0.913 1.00 . A A . 4 ALA HB2 1 1
2 260 1 1 5 ALA HB3 H 6.323 -2.926 0.594 1.00 . A A . 4 ALA HB3 1 1
2 261 1 1 5 ALA N N 3.242 -3.717 -0.469 1.00 . A A . 4 ALA N 1 1
2 262 1 1 5 ALA O O 4.934 -2.064 -2.268 1.00 . A A . 4 ALA O 1 1
2 263 1 1 6 SER C C 3.263 0.481 -2.816 1.00 . A A . 5 SER C 1 1
2 264 1 1 6 SER CA C 4.307 0.629 -1.809 1.00 . A A . 5 SER CA 1 1
2 265 1 1 6 SER CB C 5.731 0.738 -2.427 1.00 . A A . 5 SER CB 1 1
2 266 1 1 6 SER H H 3.996 -0.295 0.125 1.00 . A A . 5 SER H 1 1
2 267 1 1 6 SER HB2 H 5.930 -0.122 -3.046 1.00 . A A . 5 SER HB2 1 1
2 268 1 1 6 SER HB3 H 5.795 1.634 -3.028 1.00 . A A . 5 SER HB3 1 1
2 269 1 1 6 SER N N 4.245 -0.488 -0.802 1.00 . A A . 5 SER N 1 1
2 270 1 1 7 . C C -0.114 0.827 -3.939 1.00 . A A . 6 BB9 C 1 1
2 271 1 1 7 . CA C 1.303 0.545 -3.813 1.00 . A A . 6 BB9 CA 1 1
2 272 1 1 7 . CB C 2.064 -0.035 -4.869 1.00 . A A . 6 BB9 CB 1 1
2 273 1 1 7 . HB H 1.683 -0.322 -5.838 1.00 . A A . 6 BB9 HB 1 1
2 274 1 1 7 . N N 2.015 0.812 -2.697 1.00 . A A . 6 BB9 N 1 1
2 275 1 1 7 . O O -0.774 0.618 -4.957 1.00 . A A . 6 BB9 O 1 1
2 276 1 1 7 . SG S 3.655 -0.201 -4.350 1.00 . A A . 6 BB9 SG 1 1
2 277 1 1 8 THR C C -1.890 3.420 -2.647 1.00 . A A . 7 THR C 1 1
2 278 1 1 8 THR CA C -1.981 1.910 -2.814 1.00 . A A . 7 THR CA 1 1
2 279 1 1 8 THR CB C -2.877 1.320 -1.704 1.00 . A A . 7 THR CB 1 1
2 280 1 1 8 THR CG2 C -2.270 1.528 -0.324 1.00 . A A . 7 THR CG2 1 1
2 281 1 1 8 THR H H -0.133 1.288 -1.989 1.00 . A A . 7 THR H 1 1
2 282 1 1 8 THR HA H -2.442 1.697 -3.768 1.00 . A A . 7 THR HA 1 1
2 283 1 1 8 THR HB H -2.981 0.262 -1.879 1.00 . A A . 7 THR HB 1 1
2 284 1 1 8 THR HG1 H -4.281 2.516 -1.001 1.00 . A A . 7 THR HG1 1 1
2 285 1 1 8 THR HG21 H -1.263 1.139 -0.314 1.00 . A A . 7 THR HG21 1 1
2 286 1 1 8 THR HG22 H -2.864 1.006 0.411 1.00 . A A . 7 THR HG22 1 1
2 287 1 1 8 THR HG23 H -2.253 2.581 -0.090 1.00 . A A . 7 THR HG23 1 1
2 288 1 1 8 THR N N -0.646 1.323 -2.823 1.00 . A A . 7 THR N 1 1
2 289 1 1 8 THR O O -0.828 3.957 -2.334 1.00 . A A . 7 THR O 1 1
2 290 1 1 8 THR OG1 O -4.175 1.924 -1.750 1.00 . A A . 7 THR OG1 1 1
2 291 1 1 9 DBU C C -3.460 6.208 -1.622 1.00 . A A . 8 DBU C 1 1
2 292 1 1 9 DBU CA C -3.101 5.557 -2.900 1.00 . A A . 8 DBU CA 1 1
2 293 1 1 9 DBU CB C -2.880 6.271 -3.992 1.00 . A A . 8 DBU CB 1 1
2 294 1 1 9 DBU CG C -2.496 5.618 -5.328 1.00 . A A . 8 DBU CG 1 1
2 295 1 1 9 DBU HG1 H -2.094 6.367 -5.995 1.00 . A A . 8 DBU HG1 1 1
2 296 1 1 9 DBU HG2 H -3.370 5.169 -5.774 1.00 . A A . 8 DBU HG2 1 1
2 297 1 1 9 DBU HG3 H -1.749 4.852 -5.149 1.00 . A A . 8 DBU HG3 1 1
2 298 1 1 9 DBU N N -3.006 4.101 -2.858 1.00 . A A . 8 DBU N 1 1
2 299 1 1 10 CYS C C -4.627 5.686 1.688 1.00 . A A . 9 CYS C 1 1
2 300 1 1 10 CYS CA C -3.849 6.430 0.627 1.00 . A A . 9 CYS CA 1 1
2 301 1 1 10 CYS CB C -4.675 7.577 0.053 1.00 . A A . 9 CYS CB 1 1
2 302 1 1 10 CYS HA H -2.954 6.844 1.072 1.00 . A A . 9 CYS HA 1 1
2 303 1 1 10 CYS HB2 H -5.716 7.282 -0.037 1.00 . A A . 9 CYS HB2 1 1
2 304 1 1 10 CYS HB3 H -4.576 8.460 0.658 1.00 . A A . 9 CYS HB3 1 1
2 305 1 1 10 CYS N N -3.452 5.568 -0.488 1.00 . A A . 9 CYS N 1 1
2 306 1 1 10 CYS O O -5.356 6.327 2.446 1.00 . A A . 9 CYS O 1 1
2 307 1 1 10 CYS SG S -3.937 7.872 -1.561 1.00 . A A . 9 CYS SG 1 1
2 308 1 1 11 . C C -4.023 2.984 3.701 1.00 . A A . 10 TS9 C 1 1
2 309 1 1 11 . CA C -5.106 3.558 2.787 1.00 . A A . 10 TS9 CA 1 1
2 310 1 1 11 . CB C -5.983 2.421 2.157 1.00 . A A . 10 TS9 CB 1 1
2 311 1 1 11 . CD1 C -7.842 2.143 0.344 1.00 . A A . 10 TS9 CD1 1 1
2 312 1 1 11 . CG1 C -7.019 3.099 1.196 1.00 . A A . 10 TS9 CG1 1 1
2 313 1 1 11 . CG2 C -6.684 1.636 3.222 1.00 . A A . 10 TS9 CG2 1 1
2 314 1 1 11 . H H -3.929 3.919 1.067 1.00 . A A . 10 TS9 H 1 1
2 315 1 1 11 . HA H -5.742 4.211 3.367 1.00 . A A . 10 TS9 HA 1 1
2 316 1 1 11 . HD11 H -8.457 1.528 0.984 1.00 . A A . 10 TS9 HD11 1 1
2 317 1 1 11 . HD12 H -7.179 1.514 -0.232 1.00 . A A . 10 TS9 HD12 1 1
2 318 1 1 11 . HD13 H -8.473 2.709 -0.325 1.00 . A A . 10 TS9 HD13 1 1
2 319 1 1 11 . HD2 H -8.576 4.278 1.490 1.00 . A A . 10 TS9 HD2 1 1
2 320 1 1 11 . HG1 H -6.500 3.773 0.533 1.00 . A A . 10 TS9 HG1 1 1
2 321 1 1 11 . HG21 H -7.251 2.307 3.849 1.00 . A A . 10 TS9 HG21 1 1
2 322 1 1 11 . HG22 H -5.955 1.112 3.822 1.00 . A A . 10 TS9 HG22 1 1
2 323 1 1 11 . HG23 H -7.351 0.922 2.765 1.00 . A A . 10 TS9 HG23 1 1
2 324 1 1 11 . HG3 H -4.671 2.070 0.747 1.00 . A A . 10 TS9 HG3 1 1
2 325 1 1 11 . N N -4.478 4.365 1.746 1.00 . A A . 10 TS9 N 1 1
2 326 1 1 11 . OD2 O -7.899 3.865 2.031 1.00 . A A . 10 TS9 OD2 1 1
2 327 1 1 11 . OG3 O -5.150 1.558 1.403 1.00 . A A . 10 TS9 OG3 1 1
2 328 1 1 12 . C C -0.840 1.432 4.174 1.00 . A A . 11 BB9 C 1 1
2 329 1 1 12 . CA C -2.145 2.046 4.334 1.00 . A A . 11 BB9 CA 1 1
2 330 1 1 12 . CB C -2.738 2.252 5.619 1.00 . A A . 11 BB9 CB 1 1
2 331 1 1 12 . HB H -2.296 1.984 6.568 1.00 . A A . 11 BB9 HB 1 1
2 332 1 1 12 . N N -2.903 2.472 3.298 1.00 . A A . 11 BB9 N 1 1
2 333 1 1 12 . O O -0.134 1.047 5.106 1.00 . A A . 11 BB9 O 1 1
2 334 1 1 12 . SG S -4.240 2.984 5.406 1.00 . A A . 11 BB9 SG 1 1
2 335 1 1 13 THR C C 1.430 1.510 1.349 1.00 . A A . 12 THR C 1 1
2 336 1 1 13 THR CA C 0.828 0.748 2.527 1.00 . A A . 12 THR CA 1 1
2 337 1 1 13 THR CB C 0.724 -0.758 2.207 1.00 . A A . 12 THR CB 1 1
2 338 1 1 13 THR CG2 C 0.481 -1.574 3.464 1.00 . A A . 12 THR CG2 1 1
2 339 1 1 13 THR H H -1.082 1.610 2.192 1.00 . A A . 12 THR H 1 1
2 340 1 1 13 THR HA H 1.482 0.856 3.379 1.00 . A A . 12 THR HA 1 1
2 341 1 1 13 THR HB H 1.643 -1.091 1.747 1.00 . A A . 12 THR HB 1 1
2 342 1 1 13 THR HG21 H -0.481 -1.315 3.880 1.00 . A A . 12 THR HG21 1 1
2 343 1 1 13 THR HG22 H 1.255 -1.362 4.186 1.00 . A A . 12 THR HG22 1 1
2 344 1 1 13 THR HG23 H 0.496 -2.625 3.218 1.00 . A A . 12 THR HG23 1 1
2 345 1 1 13 THR N N -0.471 1.313 2.898 1.00 . A A . 12 THR N 1 1
2 346 1 1 13 THR OG1 O -0.429 -1.023 1.310 1.00 . A A . 12 THR OG1 1 1
2 347 1 1 14 . C C 4.142 1.949 -0.974 1.00 . A A . 13 BB9 C 1 1
2 348 1 1 14 . CA C 2.848 2.091 -0.219 1.00 . A A . 13 BB9 CA 1 1
2 349 1 1 14 . CB C 1.827 3.060 -0.468 1.00 . A A . 13 BB9 CB 1 1
2 350 1 1 14 . HB H 1.850 3.816 -1.238 1.00 . A A . 13 BB9 HB 1 1
2 351 1 1 14 . N N 2.577 1.251 0.805 1.00 . A A . 13 BB9 N 1 1
2 352 1 1 14 . SG S 0.580 2.825 0.638 1.00 . A A . 13 BB9 SG 1 1
2 353 1 1 15 . C C 7.312 1.713 0.956 1.00 . A A . 14 MH6 C 1 1
2 354 1 1 15 . CA C 6.335 1.547 -0.141 1.00 . A A . 14 MH6 CA 1 1
2 355 1 1 15 . CB C 6.791 0.805 -1.329 1.00 . A A . 14 MH6 CB 1 1
2 356 1 1 15 . HB2 H 7.043 -0.202 -1.037 1.00 . A A . 14 MH6 HB2 1 1
2 357 1 1 15 . HB3 H 7.672 1.283 -1.735 1.00 . A A . 14 MH6 HB3 1 1
2 358 1 1 15 . N N 5.176 2.068 0.064 1.00 . A A . 14 MH6 N 1 1
2 359 1 1 16 . C C 10.589 1.173 2.242 1.00 . A A . 15 BB9 C 1 1
2 360 1 1 16 . CA C 9.206 1.554 2.036 1.00 . A A . 15 BB9 CA 1 1
2 361 1 1 16 . CB C 8.447 2.267 3.018 1.00 . A A . 15 BB9 CB 1 1
2 362 1 1 16 . HB H 8.809 2.586 3.985 1.00 . A A . 15 BB9 HB 1 1
2 363 1 1 16 . N N 8.523 1.270 0.905 1.00 . A A . 15 BB9 N 1 1
2 364 1 1 16 . O O 11.232 1.415 3.261 1.00 . A A . 15 BB9 O 1 1
2 365 1 1 16 . SG S 6.895 2.526 2.413 1.00 . A A . 15 BB9 SG 1 1
2 366 1 1 17 DHA C C 12.727 -0.582 -0.249 1.00 . A A . 16 DHA C 1 1
2 367 1 1 17 DHA CA C 12.470 0.009 1.055 1.00 . A A . 16 DHA CA 1 1
2 368 1 1 17 DHA CB C 13.412 0.055 1.985 1.00 . A A . 16 DHA CB 1 1
2 369 1 1 17 DHA H H 10.489 0.385 0.432 1.00 . A A . 16 DHA H 1 1
2 370 1 1 17 DHA HB1 H 14.391 -0.352 1.780 1.00 . A A . 16 DHA HB1 1 1
2 371 1 1 17 DHA HB2 H 13.207 0.499 2.946 1.00 . A A . 16 DHA HB2 1 1
2 372 1 1 17 DHA N N 11.095 0.525 1.189 1.00 . A A . 16 DHA N 1 1
2 373 1 1 17 DHA O O 11.803 -0.584 -1.062 1.00 . A A . 16 DHA O 1 1
2 374 1 1 18 NH2 HN1 H 14.092 -1.488 -1.397 1.00 . A A . 17 NH2 HN1 1 1
2 375 1 1 18 NH2 HN2 H 14.625 -1.062 0.168 1.00 . A A . 17 NH2 HN2 1 1
2 376 1 1 18 NH2 N N 13.925 -1.090 -0.517 1.00 . A A . 17 NH2 N 1 1
3 377 1 1 1 QUA C10 C -3.724 -2.440 -2.043 1.00 . A A . 0 QUA C10 1 1
3 378 1 1 1 QUA C11 C -0.198 -1.348 0.047 1.00 . A A . 0 QUA C11 1 1
3 379 1 1 1 QUA C13 C -2.412 -2.762 -4.202 1.00 . A A . 0 QUA C13 1 1
3 380 1 1 1 QUA C14 C -2.422 -4.279 -4.361 1.00 . A A . 0 QUA C14 1 1
3 381 1 1 1 QUA C2 C -1.457 -1.731 -0.667 1.00 . A A . 0 QUA C2 1 1
3 382 1 1 1 QUA C3 C -1.350 -2.043 -2.018 1.00 . A A . 0 QUA C3 1 1
3 383 1 1 1 QUA C4 C -2.501 -2.404 -2.722 1.00 . A A . 0 QUA C4 1 1
3 384 1 1 1 QUA C5 C -4.993 -2.797 -2.705 1.00 . A A . 0 QUA C5 1 1
3 385 1 1 1 QUA C6 C -6.027 -3.166 -2.025 1.00 . A A . 0 QUA C6 1 1
3 386 1 1 1 QUA C7 C -5.979 -3.263 -0.501 1.00 . A A . 0 QUA C7 1 1
3 387 1 1 1 QUA C8 C -5.049 -2.162 0.081 1.00 . A A . 0 QUA C8 1 1
3 388 1 1 1 QUA C9 C -3.737 -2.114 -0.694 1.00 . A A . 0 QUA C9 1 1
3 389 1 1 1 QUA H13 H -3.265 -2.359 -4.724 1.00 . A A . 0 QUA H13 1 1
3 390 1 1 1 QUA H141 H -2.610 -4.530 -5.395 1.00 . A A . 0 QUA H141 1 1
3 391 1 1 1 QUA H142 H -3.200 -4.704 -3.739 1.00 . A A . 0 QUA H142 1 1
3 392 1 1 1 QUA H143 H -1.466 -4.679 -4.062 1.00 . A A . 0 QUA H143 1 1
3 393 1 1 1 QUA H15 H -1.441 -1.471 -5.336 1.00 . A A . 0 QUA H15 1 1
3 394 1 1 1 QUA H16 H -5.448 -0.422 -0.763 1.00 . A A . 0 QUA H16 1 1
3 395 1 1 1 QUA HC3 H -0.393 -2.005 -2.514 1.00 . A A . 0 QUA HC3 1 1
3 396 1 1 1 QUA HC5 H -5.068 -2.746 -3.778 1.00 . A A . 0 QUA HC5 1 1
3 397 1 1 1 QUA HC6 H -6.937 -3.416 -2.546 1.00 . A A . 0 QUA HC6 1 1
3 398 1 1 1 QUA HC71 H -6.970 -3.159 -0.089 1.00 . A A . 0 QUA HC71 1 1
3 399 1 1 1 QUA HC8 H -4.848 -2.401 1.114 1.00 . A A . 0 QUA HC8 1 1
3 400 1 1 1 QUA N1 N -2.634 -1.760 0.021 1.00 . A A . 0 QUA N1 1 1
3 401 1 1 1 QUA O12 O 0.907 -1.332 -0.495 1.00 . A A . 0 QUA O12 1 1
3 402 1 1 1 QUA O15 O -1.219 -2.230 -4.793 1.00 . A A . 0 QUA O15 1 1
3 403 1 1 1 QUA O16 O -5.719 -0.895 0.028 1.00 . A A . 0 QUA O16 1 1
3 404 1 1 2 ILE C C -4.404 -5.108 1.978 1.00 . A A . 1 ILE C 1 1
3 405 1 1 2 ILE CA C -5.700 -5.100 1.172 1.00 . A A . 1 ILE CA 1 1
3 406 1 1 2 ILE CB C -6.324 -6.519 1.186 1.00 . A A . 1 ILE CB 1 1
3 407 1 1 2 ILE CD1 C -5.136 -7.276 -0.991 1.00 . A A . 1 ILE CD1 1 1
3 408 1 1 2 ILE CG1 C -5.422 -7.557 0.478 1.00 . A A . 1 ILE CG1 1 1
3 409 1 1 2 ILE CG2 C -7.710 -6.493 0.556 1.00 . A A . 1 ILE CG2 1 1
3 410 1 1 2 ILE H H -4.497 -4.654 -0.402 1.00 . A A . 1 ILE H 1 1
3 411 1 1 2 ILE HA H -6.397 -4.417 1.639 1.00 . A A . 1 ILE HA 1 1
3 412 1 1 2 ILE HB H -6.443 -6.813 2.218 1.00 . A A . 1 ILE HB 1 1
3 413 1 1 2 ILE HD11 H -4.380 -6.505 -1.075 1.00 . A A . 1 ILE HD11 1 1
3 414 1 1 2 ILE HD12 H -6.038 -6.945 -1.481 1.00 . A A . 1 ILE HD12 1 1
3 415 1 1 2 ILE HD13 H -4.781 -8.178 -1.466 1.00 . A A . 1 ILE HD13 1 1
3 416 1 1 2 ILE HG12 H -4.474 -7.606 0.990 1.00 . A A . 1 ILE HG12 1 1
3 417 1 1 2 ILE HG13 H -5.900 -8.525 0.538 1.00 . A A . 1 ILE HG13 1 1
3 418 1 1 2 ILE HG21 H -7.658 -6.020 -0.412 1.00 . A A . 1 ILE HG21 1 1
3 419 1 1 2 ILE HG22 H -8.384 -5.938 1.192 1.00 . A A . 1 ILE HG22 1 1
3 420 1 1 2 ILE HG23 H -8.073 -7.503 0.444 1.00 . A A . 1 ILE HG23 1 1
3 421 1 1 2 ILE N N -5.459 -4.630 -0.216 1.00 . A A . 1 ILE N 1 1
3 422 1 1 2 ILE O O -4.390 -4.749 3.156 1.00 . A A . 1 ILE O 1 1
3 423 1 1 3 ALA C C -0.918 -5.793 0.914 1.00 . A A . 2 ALA C 1 1
3 424 1 1 3 ALA CA C -2.006 -5.567 1.958 1.00 . A A . 2 ALA CA 1 1
3 425 1 1 3 ALA CB C -1.959 -6.665 3.013 1.00 . A A . 2 ALA CB 1 1
3 426 1 1 3 ALA H H -3.406 -5.799 0.392 1.00 . A A . 2 ALA H 1 1
3 427 1 1 3 ALA HA H -1.833 -4.619 2.447 1.00 . A A . 2 ALA HA 1 1
3 428 1 1 3 ALA HB1 H -0.989 -6.667 3.486 1.00 . A A . 2 ALA HB1 1 1
3 429 1 1 3 ALA HB2 H -2.133 -7.621 2.544 1.00 . A A . 2 ALA HB2 1 1
3 430 1 1 3 ALA HB3 H -2.723 -6.484 3.756 1.00 . A A . 2 ALA HB3 1 1
3 431 1 1 3 ALA N N -3.320 -5.519 1.326 1.00 . A A . 2 ALA N 1 1
3 432 1 1 3 ALA O O -0.915 -6.812 0.224 1.00 . A A . 2 ALA O 1 1
3 433 1 1 4 DHA C C 2.164 -3.899 0.294 1.00 . A A . 3 DHA C 1 1
3 434 1 1 4 DHA CA C 1.132 -4.818 -0.124 1.00 . A A . 3 DHA CA 1 1
3 435 1 1 4 DHA CB C 1.246 -5.542 -1.225 1.00 . A A . 3 DHA CB 1 1
3 436 1 1 4 DHA H H -0.057 -4.088 1.442 1.00 . A A . 3 DHA H 1 1
3 437 1 1 4 DHA HB1 H 0.464 -6.228 -1.507 1.00 . A A . 3 DHA HB1 1 1
3 438 1 1 4 DHA HB2 H 2.130 -5.452 -1.839 1.00 . A A . 3 DHA HB2 1 1
3 439 1 1 4 DHA N N 0.008 -4.839 0.814 1.00 . A A . 3 DHA N 1 1
3 440 1 1 4 DHA O O 1.977 -3.292 1.345 1.00 . A A . 3 DHA O 1 1
3 441 1 1 5 ALA C C 4.495 -1.746 -1.155 1.00 . A A . 4 ALA C 1 1
3 442 1 1 5 ALA CA C 4.282 -2.794 -0.073 1.00 . A A . 4 ALA CA 1 1
3 443 1 1 5 ALA CB C 5.560 -3.554 0.216 1.00 . A A . 4 ALA CB 1 1
3 444 1 1 5 ALA H H 3.331 -4.237 -1.288 1.00 . A A . 4 ALA H 1 1
3 445 1 1 5 ALA HA H 3.973 -2.298 0.836 1.00 . A A . 4 ALA HA 1 1
3 446 1 1 5 ALA HB1 H 6.304 -2.876 0.603 1.00 . A A . 4 ALA HB1 1 1
3 447 1 1 5 ALA HB2 H 5.920 -4.009 -0.695 1.00 . A A . 4 ALA HB2 1 1
3 448 1 1 5 ALA HB3 H 5.355 -4.323 0.947 1.00 . A A . 4 ALA HB3 1 1
3 449 1 1 5 ALA N N 3.238 -3.727 -0.457 1.00 . A A . 4 ALA N 1 1
3 450 1 1 5 ALA O O 4.886 -2.072 -2.276 1.00 . A A . 4 ALA O 1 1
3 451 1 1 6 SER C C 3.238 0.484 -2.823 1.00 . A A . 5 SER C 1 1
3 452 1 1 6 SER CA C 4.286 0.627 -1.819 1.00 . A A . 5 SER CA 1 1
3 453 1 1 6 SER CB C 5.709 0.728 -2.442 1.00 . A A . 5 SER CB 1 1
3 454 1 1 6 SER H H 3.978 -0.288 0.118 1.00 . A A . 5 SER H 1 1
3 455 1 1 6 SER HB2 H 5.899 -0.133 -3.064 1.00 . A A . 5 SER HB2 1 1
3 456 1 1 6 SER HB3 H 5.777 1.625 -3.041 1.00 . A A . 5 SER HB3 1 1
3 457 1 1 6 SER N N 4.223 -0.486 -0.809 1.00 . A A . 5 SER N 1 1
3 458 1 1 7 . C C -0.142 0.834 -3.929 1.00 . A A . 6 BB9 C 1 1
3 459 1 1 7 . CA C 1.275 0.551 -3.812 1.00 . A A . 6 BB9 CA 1 1
3 460 1 1 7 . CB C 2.031 -0.025 -4.874 1.00 . A A . 6 BB9 CB 1 1
3 461 1 1 7 . HB H 1.646 -0.308 -5.842 1.00 . A A . 6 BB9 HB 1 1
3 462 1 1 7 . N N 1.991 0.813 -2.698 1.00 . A A . 6 BB9 N 1 1
3 463 1 1 7 . O O -0.810 0.629 -4.942 1.00 . A A . 6 BB9 O 1 1
3 464 1 1 7 . SG S 3.626 -0.192 -4.361 1.00 . A A . 6 BB9 SG 1 1
3 465 1 1 8 THR C C -1.883 3.437 -2.607 1.00 . A A . 7 THR C 1 1
3 466 1 1 8 THR CA C -1.992 1.931 -2.787 1.00 . A A . 7 THR CA 1 1
3 467 1 1 8 THR CB C -2.889 1.343 -1.677 1.00 . A A . 7 THR CB 1 1
3 468 1 1 8 THR CG2 C -2.257 1.515 -0.304 1.00 . A A . 7 THR CG2 1 1
3 469 1 1 8 THR H H -0.148 1.282 -1.975 1.00 . A A . 7 THR H 1 1
3 470 1 1 8 THR HA H -2.462 1.731 -3.741 1.00 . A A . 7 THR HA 1 1
3 471 1 1 8 THR HB H -3.019 0.288 -1.866 1.00 . A A . 7 THR HB 1 1
3 472 1 1 8 THR HG1 H -4.395 2.276 -0.812 1.00 . A A . 7 THR HG1 1 1
3 473 1 1 8 THR HG21 H -2.824 0.957 0.425 1.00 . A A . 7 THR HG21 1 1
3 474 1 1 8 THR HG22 H -2.258 2.562 -0.035 1.00 . A A . 7 THR HG22 1 1
3 475 1 1 8 THR HG23 H -1.243 1.151 -0.327 1.00 . A A . 7 THR HG23 1 1
3 476 1 1 8 THR N N -0.665 1.328 -2.808 1.00 . A A . 7 THR N 1 1
3 477 1 1 8 THR O O -0.831 3.952 -2.230 1.00 . A A . 7 THR O 1 1
3 478 1 1 8 THR OG1 O -4.172 1.977 -1.696 1.00 . A A . 7 THR OG1 1 1
3 479 1 1 9 DBU C C -3.409 6.255 -1.648 1.00 . A A . 8 DBU C 1 1
3 480 1 1 9 DBU CA C -3.039 5.597 -2.920 1.00 . A A . 8 DBU CA 1 1
3 481 1 1 9 DBU CB C -2.784 6.305 -4.008 1.00 . A A . 8 DBU CB 1 1
3 482 1 1 9 DBU CG C -2.388 5.645 -5.335 1.00 . A A . 8 DBU CG 1 1
3 483 1 1 9 DBU HG1 H -1.644 4.880 -5.145 1.00 . A A . 8 DBU HG1 1 1
3 484 1 1 9 DBU HG2 H -1.978 6.389 -6.001 1.00 . A A . 8 DBU HG2 1 1
3 485 1 1 9 DBU HG3 H -3.259 5.195 -5.789 1.00 . A A . 8 DBU HG3 1 1
3 486 1 1 9 DBU N N -2.972 4.138 -2.875 1.00 . A A . 8 DBU N 1 1
3 487 1 1 10 CYS C C -4.626 5.747 1.644 1.00 . A A . 9 CYS C 1 1
3 488 1 1 10 CYS CA C -3.826 6.484 0.595 1.00 . A A . 9 CYS CA 1 1
3 489 1 1 10 CYS CB C -4.632 7.638 0.009 1.00 . A A . 9 CYS CB 1 1
3 490 1 1 10 CYS HA H -2.933 6.890 1.054 1.00 . A A . 9 CYS HA 1 1
3 491 1 1 10 CYS HB2 H -5.675 7.354 -0.094 1.00 . A A . 9 CYS HB2 1 1
3 492 1 1 10 CYS HB3 H -4.532 8.522 0.614 1.00 . A A . 9 CYS HB3 1 1
3 493 1 1 10 CYS N N -3.421 5.617 -0.514 1.00 . A A . 9 CYS N 1 1
3 494 1 1 10 CYS O O -5.402 6.387 2.354 1.00 . A A . 9 CYS O 1 1
3 495 1 1 10 CYS SG S -3.871 7.923 -1.597 1.00 . A A . 9 CYS SG 1 1
3 496 1 1 11 . C C -4.040 3.015 3.681 1.00 . A A . 10 TS9 C 1 1
3 497 1 1 11 . CA C -5.102 3.633 2.768 1.00 . A A . 10 TS9 CA 1 1
3 498 1 1 11 . CB C -6.005 2.526 2.120 1.00 . A A . 10 TS9 CB 1 1
3 499 1 1 11 . CD1 C -7.818 2.290 0.253 1.00 . A A . 10 TS9 CD1 1 1
3 500 1 1 11 . CG1 C -6.919 3.223 1.053 1.00 . A A . 10 TS9 CG1 1 1
3 501 1 1 11 . CG2 C -6.832 1.844 3.164 1.00 . A A . 10 TS9 CG2 1 1
3 502 1 1 11 . H H -3.852 3.986 1.100 1.00 . A A . 10 TS9 H 1 1
3 503 1 1 11 . HA H -5.723 4.294 3.351 1.00 . A A . 10 TS9 HA 1 1
3 504 1 1 11 . HD11 H -8.559 1.854 0.908 1.00 . A A . 10 TS9 HD11 1 1
3 505 1 1 11 . HD12 H -7.221 1.505 -0.188 1.00 . A A . 10 TS9 HD12 1 1
3 506 1 1 11 . HD13 H -8.312 2.849 -0.528 1.00 . A A . 10 TS9 HD13 1 1
3 507 1 1 11 . HD2 H -8.547 3.733 2.045 1.00 . A A . 10 TS9 HD2 1 1
3 508 1 1 11 . HG1 H -6.300 3.767 0.356 1.00 . A A . 10 TS9 HG1 1 1
3 509 1 1 11 . HG21 H -7.480 1.119 2.695 1.00 . A A . 10 TS9 HG21 1 1
3 510 1 1 11 . HG22 H -7.431 2.577 3.684 1.00 . A A . 10 TS9 HG22 1 1
3 511 1 1 11 . HG23 H -6.185 1.344 3.868 1.00 . A A . 10 TS9 HG23 1 1
3 512 1 1 11 . HG3 H -4.675 1.089 2.127 1.00 . A A . 10 TS9 HG3 1 1
3 513 1 1 11 . N N -4.445 4.432 1.741 1.00 . A A . 10 TS9 N 1 1
3 514 1 1 11 . OD2 O -7.732 4.160 1.772 1.00 . A A . 10 TS9 OD2 1 1
3 515 1 1 11 . OG3 O -5.180 1.576 1.472 1.00 . A A . 10 TS9 OG3 1 1
3 516 1 1 12 . C C -0.876 1.426 4.160 1.00 . A A . 11 BB9 C 1 1
3 517 1 1 12 . CA C -2.181 2.042 4.316 1.00 . A A . 11 BB9 CA 1 1
3 518 1 1 12 . CB C -2.798 2.204 5.596 1.00 . A A . 11 BB9 CB 1 1
3 519 1 1 12 . HB H -2.376 1.898 6.543 1.00 . A A . 11 BB9 HB 1 1
3 520 1 1 12 . N N -2.916 2.512 3.282 1.00 . A A . 11 BB9 N 1 1
3 521 1 1 12 . O O -0.188 1.012 5.094 1.00 . A A . 11 BB9 O 1 1
3 522 1 1 12 . SG S -4.291 2.954 5.382 1.00 . A A . 11 BB9 SG 1 1
3 523 1 1 13 THR C C 1.420 1.524 1.342 1.00 . A A . 12 THR C 1 1
3 524 1 1 13 THR CA C 0.814 0.769 2.524 1.00 . A A . 12 THR CA 1 1
3 525 1 1 13 THR CB C 0.712 -0.740 2.209 1.00 . A A . 12 THR CB 1 1
3 526 1 1 13 THR CG2 C 0.468 -1.555 3.467 1.00 . A A . 12 THR CG2 1 1
3 527 1 1 13 THR H H -1.084 1.655 2.180 1.00 . A A . 12 THR H 1 1
3 528 1 1 13 THR HA H 1.466 0.880 3.378 1.00 . A A . 12 THR HA 1 1
3 529 1 1 13 THR HB H 1.631 -1.074 1.749 1.00 . A A . 12 THR HB 1 1
3 530 1 1 13 THR HG21 H 0.492 -2.606 3.223 1.00 . A A . 12 THR HG21 1 1
3 531 1 1 13 THR HG22 H -0.498 -1.302 3.876 1.00 . A A . 12 THR HG22 1 1
3 532 1 1 13 THR HG23 H 1.237 -1.334 4.192 1.00 . A A . 12 THR HG23 1 1
3 533 1 1 13 THR N N -0.486 1.335 2.888 1.00 . A A . 12 THR N 1 1
3 534 1 1 13 THR OG1 O -0.441 -1.008 1.313 1.00 . A A . 12 THR OG1 1 1
3 535 1 1 14 . C C 4.134 1.948 -0.982 1.00 . A A . 13 BB9 C 1 1
3 536 1 1 14 . CA C 2.841 2.096 -0.228 1.00 . A A . 13 BB9 CA 1 1
3 537 1 1 14 . CB C 1.820 3.066 -0.481 1.00 . A A . 13 BB9 CB 1 1
3 538 1 1 14 . HB H 1.845 3.820 -1.253 1.00 . A A . 13 BB9 HB 1 1
3 539 1 1 14 . N N 2.566 1.261 0.800 1.00 . A A . 13 BB9 N 1 1
3 540 1 1 14 . SG S 0.573 2.838 0.626 1.00 . A A . 13 BB9 SG 1 1
3 541 1 1 15 . C C 7.303 1.666 0.946 1.00 . A A . 14 MH6 C 1 1
3 542 1 1 15 . CA C 6.324 1.520 -0.151 1.00 . A A . 14 MH6 CA 1 1
3 543 1 1 15 . CB C 6.772 0.782 -1.346 1.00 . A A . 14 MH6 CB 1 1
3 544 1 1 15 . HB2 H 7.021 -0.227 -1.062 1.00 . A A . 14 MH6 HB2 1 1
3 545 1 1 15 . HB3 H 7.654 1.259 -1.753 1.00 . A A . 14 MH6 HB3 1 1
3 546 1 1 15 . N N 5.169 2.050 0.057 1.00 . A A . 14 MH6 N 1 1
3 547 1 1 16 . C C 10.566 1.056 2.240 1.00 . A A . 15 BB9 C 1 1
3 548 1 1 16 . CA C 9.192 1.466 2.030 1.00 . A A . 15 BB9 CA 1 1
3 549 1 1 16 . CB C 8.447 2.195 3.011 1.00 . A A . 15 BB9 CB 1 1
3 550 1 1 16 . HB H 8.814 2.506 3.978 1.00 . A A . 15 BB9 HB 1 1
3 551 1 1 16 . N N 8.506 1.198 0.897 1.00 . A A . 15 BB9 N 1 1
3 552 1 1 16 . O O 11.207 1.278 3.266 1.00 . A A . 15 BB9 O 1 1
3 553 1 1 16 . SG S 6.902 2.486 2.403 1.00 . A A . 15 BB9 SG 1 1
3 554 1 1 17 DHA C C 12.689 -0.724 -0.246 1.00 . A A . 16 DHA C 1 1
3 555 1 1 17 DHA CA C 12.428 -0.148 1.064 1.00 . A A . 16 DHA CA 1 1
3 556 1 1 17 DHA CB C 13.356 -0.152 2.011 1.00 . A A . 16 DHA CB 1 1
3 557 1 1 17 DHA H H 10.473 0.307 0.414 1.00 . A A . 16 DHA H 1 1
3 558 1 1 17 DHA HB1 H 14.323 -0.590 1.815 1.00 . A A . 16 DHA HB1 1 1
3 559 1 1 17 DHA HB2 H 13.149 0.278 2.977 1.00 . A A . 16 DHA HB2 1 1
3 560 1 1 17 DHA N N 11.068 0.412 1.184 1.00 . A A . 16 DHA N 1 1
3 561 1 1 17 DHA O O 11.781 -0.683 -1.075 1.00 . A A . 16 DHA O 1 1
3 562 1 1 18 NH2 HN1 H 14.047 -1.653 -1.385 1.00 . A A . 17 NH2 HN1 1 1
3 563 1 1 18 NH2 HN2 H 14.563 -1.271 0.197 1.00 . A A . 17 NH2 HN2 1 1
3 564 1 1 18 NH2 N N 13.876 -1.266 -0.501 1.00 . A A . 17 NH2 N 1 1
4 565 1 1 1 QUA C10 C -3.700 -2.403 -2.024 1.00 . A A . 0 QUA C10 1 1
4 566 1 1 1 QUA C11 C -0.168 -1.333 0.071 1.00 . A A . 0 QUA C11 1 1
4 567 1 1 1 QUA C13 C -2.391 -2.708 -4.186 1.00 . A A . 0 QUA C13 1 1
4 568 1 1 1 QUA C14 C -2.403 -4.224 -4.357 1.00 . A A . 0 QUA C14 1 1
4 569 1 1 1 QUA C2 C -1.431 -1.709 -0.644 1.00 . A A . 0 QUA C2 1 1
4 570 1 1 1 QUA C3 C -1.326 -2.009 -1.997 1.00 . A A . 0 QUA C3 1 1
4 571 1 1 1 QUA C4 C -2.478 -2.362 -2.703 1.00 . A A . 0 QUA C4 1 1
4 572 1 1 1 QUA C5 C -4.970 -2.752 -2.690 1.00 . A A . 0 QUA C5 1 1
4 573 1 1 1 QUA C6 C -6.005 -3.123 -2.015 1.00 . A A . 0 QUA C6 1 1
4 574 1 1 1 QUA C7 C -5.959 -3.234 -0.494 1.00 . A A . 0 QUA C7 1 1
4 575 1 1 1 QUA C8 C -5.025 -2.143 0.101 1.00 . A A . 0 QUA C8 1 1
4 576 1 1 1 QUA C9 C -3.712 -2.090 -0.674 1.00 . A A . 0 QUA C9 1 1
4 577 1 1 1 QUA H13 H -3.245 -2.300 -4.703 1.00 . A A . 0 QUA H13 1 1
4 578 1 1 1 QUA H141 H -3.188 -4.653 -3.746 1.00 . A A . 0 QUA H141 1 1
4 579 1 1 1 QUA H142 H -1.449 -4.627 -4.051 1.00 . A A . 0 QUA H142 1 1
4 580 1 1 1 QUA H143 H -2.580 -4.468 -5.393 1.00 . A A . 0 QUA H143 1 1
4 581 1 1 1 QUA H15 H -1.165 -2.412 -5.703 1.00 . A A . 0 QUA H15 1 1
4 582 1 1 1 QUA H16 H -6.611 -0.987 0.308 1.00 . A A . 0 QUA H16 1 1
4 583 1 1 1 QUA HC3 H -0.369 -1.968 -2.494 1.00 . A A . 0 QUA HC3 1 1
4 584 1 1 1 QUA HC5 H -5.044 -2.689 -3.764 1.00 . A A . 0 QUA HC5 1 1
4 585 1 1 1 QUA HC6 H -6.915 -3.366 -2.540 1.00 . A A . 0 QUA HC6 1 1
4 586 1 1 1 QUA HC71 H -6.948 -3.132 -0.082 1.00 . A A . 0 QUA HC71 1 1
4 587 1 1 1 QUA HC8 H -4.824 -2.396 1.131 1.00 . A A . 0 QUA HC8 1 1
4 588 1 1 1 QUA N1 N -2.607 -1.743 0.044 1.00 . A A . 0 QUA N1 1 1
4 589 1 1 1 QUA O12 O 0.934 -1.310 -0.478 1.00 . A A . 0 QUA O12 1 1
4 590 1 1 1 QUA O15 O -1.200 -2.172 -4.775 1.00 . A A . 0 QUA O15 1 1
4 591 1 1 1 QUA O16 O -5.689 -0.874 0.064 1.00 . A A . 0 QUA O16 1 1
4 592 1 1 2 ILE C C -4.450 -5.169 1.975 1.00 . A A . 1 ILE C 1 1
4 593 1 1 2 ILE CA C -5.728 -5.106 1.146 1.00 . A A . 1 ILE CA 1 1
4 594 1 1 2 ILE CB C -6.389 -6.506 1.109 1.00 . A A . 1 ILE CB 1 1
4 595 1 1 2 ILE CD1 C -5.285 -7.223 -1.126 1.00 . A A . 1 ILE CD1 1 1
4 596 1 1 2 ILE CG1 C -5.525 -7.536 0.344 1.00 . A A . 1 ILE CG1 1 1
4 597 1 1 2 ILE CG2 C -7.785 -6.417 0.506 1.00 . A A . 1 ILE CG2 1 1
4 598 1 1 2 ILE H H -4.477 -4.624 -0.379 1.00 . A A . 1 ILE H 1 1
4 599 1 1 2 ILE HA H -6.415 -4.417 1.617 1.00 . A A . 1 ILE HA 1 1
4 600 1 1 2 ILE HB H -6.500 -6.841 2.130 1.00 . A A . 1 ILE HB 1 1
4 601 1 1 2 ILE HD11 H -4.964 -8.120 -1.635 1.00 . A A . 1 ILE HD11 1 1
4 602 1 1 2 ILE HD12 H -4.516 -6.468 -1.218 1.00 . A A . 1 ILE HD12 1 1
4 603 1 1 2 ILE HD13 H -6.197 -6.863 -1.577 1.00 . A A . 1 ILE HD13 1 1
4 604 1 1 2 ILE HG12 H -4.560 -7.608 0.821 1.00 . A A . 1 ILE HG12 1 1
4 605 1 1 2 ILE HG13 H -6.011 -8.500 0.397 1.00 . A A . 1 ILE HG13 1 1
4 606 1 1 2 ILE HG21 H -8.435 -5.886 1.185 1.00 . A A . 1 ILE HG21 1 1
4 607 1 1 2 ILE HG22 H -8.170 -7.413 0.342 1.00 . A A . 1 ILE HG22 1 1
4 608 1 1 2 ILE HG23 H -7.738 -5.889 -0.435 1.00 . A A . 1 ILE HG23 1 1
4 609 1 1 2 ILE N N -5.444 -4.605 -0.222 1.00 . A A . 1 ILE N 1 1
4 610 1 1 2 ILE O O -4.456 -4.886 3.173 1.00 . A A . 1 ILE O 1 1
4 611 1 1 3 ALA C C -0.948 -5.848 0.938 1.00 . A A . 2 ALA C 1 1
4 612 1 1 3 ALA CA C -2.052 -5.639 1.970 1.00 . A A . 2 ALA CA 1 1
4 613 1 1 3 ALA CB C -2.044 -6.773 2.986 1.00 . A A . 2 ALA CB 1 1
4 614 1 1 3 ALA H H -3.424 -5.760 0.365 1.00 . A A . 2 ALA H 1 1
4 615 1 1 3 ALA HA H -1.871 -4.712 2.494 1.00 . A A . 2 ALA HA 1 1
4 616 1 1 3 ALA HB1 H -2.307 -7.698 2.495 1.00 . A A . 2 ALA HB1 1 1
4 617 1 1 3 ALA HB2 H -2.761 -6.564 3.766 1.00 . A A . 2 ALA HB2 1 1
4 618 1 1 3 ALA HB3 H -1.059 -6.862 3.418 1.00 . A A . 2 ALA HB3 1 1
4 619 1 1 3 ALA N N -3.354 -5.544 1.318 1.00 . A A . 2 ALA N 1 1
4 620 1 1 3 ALA O O -0.911 -6.876 0.262 1.00 . A A . 2 ALA O 1 1
4 621 1 1 4 DHA C C 2.106 -3.907 0.335 1.00 . A A . 3 DHA C 1 1
4 622 1 1 4 DHA CA C 1.082 -4.830 -0.097 1.00 . A A . 3 DHA CA 1 1
4 623 1 1 4 DHA CB C 1.210 -5.546 -1.204 1.00 . A A . 3 DHA CB 1 1
4 624 1 1 4 DHA H H -0.141 -4.110 1.446 1.00 . A A . 3 DHA H 1 1
4 625 1 1 4 DHA HB1 H 0.435 -6.234 -1.495 1.00 . A A . 3 DHA HB1 1 1
4 626 1 1 4 DHA HB2 H 2.098 -5.446 -1.811 1.00 . A A . 3 DHA HB2 1 1
4 627 1 1 4 DHA N N -0.050 -4.869 0.830 1.00 . A A . 3 DHA N 1 1
4 628 1 1 4 DHA O O 1.906 -3.311 1.391 1.00 . A A . 3 DHA O 1 1
4 629 1 1 5 ALA C C 4.459 -1.750 -1.108 1.00 . A A . 4 ALA C 1 1
4 630 1 1 5 ALA CA C 4.215 -2.774 -0.009 1.00 . A A . 4 ALA CA 1 1
4 631 1 1 5 ALA CB C 5.485 -3.525 0.337 1.00 . A A . 4 ALA CB 1 1
4 632 1 1 5 ALA H H 3.290 -4.223 -1.239 1.00 . A A . 4 ALA H 1 1
4 633 1 1 5 ALA HA H 3.877 -2.259 0.878 1.00 . A A . 4 ALA HA 1 1
4 634 1 1 5 ALA HB1 H 5.882 -3.988 -0.554 1.00 . A A . 4 ALA HB1 1 1
4 635 1 1 5 ALA HB2 H 5.255 -4.288 1.067 1.00 . A A . 4 ALA HB2 1 1
4 636 1 1 5 ALA HB3 H 6.211 -2.839 0.746 1.00 . A A . 4 ALA HB3 1 1
4 637 1 1 5 ALA N N 3.184 -3.718 -0.405 1.00 . A A . 4 ALA N 1 1
4 638 1 1 5 ALA O O 4.851 -2.104 -2.220 1.00 . A A . 4 ALA O 1 1
4 639 1 1 6 SER C C 3.249 0.443 -2.832 1.00 . A A . 5 SER C 1 1
4 640 1 1 6 SER CA C 4.290 0.611 -1.826 1.00 . A A . 5 SER CA 1 1
4 641 1 1 6 SER CB C 5.716 0.694 -2.441 1.00 . A A . 5 SER CB 1 1
4 642 1 1 6 SER H H 3.988 -0.251 0.138 1.00 . A A . 5 SER H 1 1
4 643 1 1 6 SER HB2 H 5.912 -0.189 -3.030 1.00 . A A . 5 SER HB2 1 1
4 644 1 1 6 SER HB3 H 5.787 1.569 -3.072 1.00 . A A . 5 SER HB3 1 1
4 645 1 1 6 SER N N 4.216 -0.475 -0.787 1.00 . A A . 5 SER N 1 1
4 646 1 1 7 . C C -0.123 0.787 -3.961 1.00 . A A . 6 BB9 C 1 1
4 647 1 1 7 . CA C 1.291 0.496 -3.832 1.00 . A A . 6 BB9 CA 1 1
4 648 1 1 7 . CB C 2.048 -0.116 -4.874 1.00 . A A . 6 BB9 CB 1 1
4 649 1 1 7 . HB H 1.665 -0.423 -5.836 1.00 . A A . 6 BB9 HB 1 1
4 650 1 1 7 . N N 2.004 0.785 -2.724 1.00 . A A . 6 BB9 N 1 1
4 651 1 1 7 . O O -0.788 0.569 -4.975 1.00 . A A . 6 BB9 O 1 1
4 652 1 1 7 . SG S 3.639 -0.279 -4.349 1.00 . A A . 6 BB9 SG 1 1
4 653 1 1 8 THR C C -1.838 3.430 -2.671 1.00 . A A . 7 THR C 1 1
4 654 1 1 8 THR CA C -1.967 1.924 -2.847 1.00 . A A . 7 THR CA 1 1
4 655 1 1 8 THR CB C -2.884 1.353 -1.744 1.00 . A A . 7 THR CB 1 1
4 656 1 1 8 THR CG2 C -2.279 1.544 -0.362 1.00 . A A . 7 THR CG2 1 1
4 657 1 1 8 THR H H -0.143 1.250 -2.011 1.00 . A A . 7 THR H 1 1
4 658 1 1 8 THR HA H -2.429 1.727 -3.805 1.00 . A A . 7 THR HA 1 1
4 659 1 1 8 THR HB H -3.013 0.297 -1.920 1.00 . A A . 7 THR HB 1 1
4 660 1 1 8 THR HG1 H -4.625 1.855 -0.962 1.00 . A A . 7 THR HG1 1 1
4 661 1 1 8 THR HG21 H -2.878 1.022 0.370 1.00 . A A . 7 THR HG21 1 1
4 662 1 1 8 THR HG22 H -2.254 2.596 -0.120 1.00 . A A . 7 THR HG22 1 1
4 663 1 1 8 THR HG23 H -1.275 1.149 -0.353 1.00 . A A . 7 THR HG23 1 1
4 664 1 1 8 THR N N -0.649 1.300 -2.849 1.00 . A A . 7 THR N 1 1
4 665 1 1 8 THR O O -0.760 3.938 -2.367 1.00 . A A . 7 THR O 1 1
4 666 1 1 8 THR OG1 O -4.167 1.990 -1.795 1.00 . A A . 7 THR OG1 1 1
4 667 1 1 9 DBU C C -3.411 6.230 -1.602 1.00 . A A . 8 DBU C 1 1
4 668 1 1 9 DBU CA C -3.004 5.599 -2.877 1.00 . A A . 8 DBU CA 1 1
4 669 1 1 9 DBU CB C -2.718 6.332 -3.940 1.00 . A A . 8 DBU CB 1 1
4 670 1 1 9 DBU CG C -2.284 5.705 -5.273 1.00 . A A . 8 DBU CG 1 1
4 671 1 1 9 DBU HG1 H -3.142 5.267 -5.761 1.00 . A A . 8 DBU HG1 1 1
4 672 1 1 9 DBU HG2 H -1.548 4.933 -5.081 1.00 . A A . 8 DBU HG2 1 1
4 673 1 1 9 DBU HG3 H -1.854 6.465 -5.907 1.00 . A A . 8 DBU HG3 1 1
4 674 1 1 9 DBU N N -2.939 4.139 -2.862 1.00 . A A . 8 DBU N 1 1
4 675 1 1 10 CYS C C -4.675 5.660 1.668 1.00 . A A . 9 CYS C 1 1
4 676 1 1 10 CYS CA C -3.880 6.423 0.632 1.00 . A A . 9 CYS CA 1 1
4 677 1 1 10 CYS CB C -4.704 7.562 0.041 1.00 . A A . 9 CYS CB 1 1
4 678 1 1 10 CYS HA H -3.004 6.847 1.105 1.00 . A A . 9 CYS HA 1 1
4 679 1 1 10 CYS HB2 H -5.734 7.250 -0.095 1.00 . A A . 9 CYS HB2 1 1
4 680 1 1 10 CYS HB3 H -4.645 8.439 0.661 1.00 . A A . 9 CYS HB3 1 1
4 681 1 1 10 CYS N N -3.437 5.576 -0.476 1.00 . A A . 9 CYS N 1 1
4 682 1 1 10 CYS O O -5.459 6.283 2.387 1.00 . A A . 9 CYS O 1 1
4 683 1 1 10 CYS SG S -3.904 7.889 -1.537 1.00 . A A . 9 CYS SG 1 1
4 684 1 1 11 . C C -3.994 2.999 3.713 1.00 . A A . 10 TS9 C 1 1
4 685 1 1 11 . CA C -5.093 3.536 2.798 1.00 . A A . 10 TS9 CA 1 1
4 686 1 1 11 . CB C -5.938 2.365 2.186 1.00 . A A . 10 TS9 CB 1 1
4 687 1 1 11 . CD1 C -7.726 1.974 0.325 1.00 . A A . 10 TS9 CD1 1 1
4 688 1 1 11 . CG1 C -6.869 2.978 1.084 1.00 . A A . 10 TS9 CG1 1 1
4 689 1 1 11 . CG2 C -6.748 1.687 3.246 1.00 . A A . 10 TS9 CG2 1 1
4 690 1 1 11 . H H -3.917 3.907 1.078 1.00 . A A . 10 TS9 H 1 1
4 691 1 1 11 . HA H -5.746 4.178 3.370 1.00 . A A . 10 TS9 HA 1 1
4 692 1 1 11 . HD11 H -8.449 1.534 0.997 1.00 . A A . 10 TS9 HD11 1 1
4 693 1 1 11 . HD12 H -7.096 1.198 -0.083 1.00 . A A . 10 TS9 HD12 1 1
4 694 1 1 11 . HD13 H -8.243 2.477 -0.479 1.00 . A A . 10 TS9 HD13 1 1
4 695 1 1 11 . HD2 H -8.626 3.799 1.456 1.00 . A A . 10 TS9 HD2 1 1
4 696 1 1 11 . HG1 H -6.266 3.511 0.365 1.00 . A A . 10 TS9 HG1 1 1
4 697 1 1 11 . HG21 H -7.307 0.873 2.808 1.00 . A A . 10 TS9 HG21 1 1
4 698 1 1 11 . HG22 H -7.433 2.398 3.686 1.00 . A A . 10 TS9 HG22 1 1
4 699 1 1 11 . HG23 H -6.092 1.300 4.010 1.00 . A A . 10 TS9 HG23 1 1
4 700 1 1 11 . HG3 H -5.130 0.588 2.042 1.00 . A A . 10 TS9 HG3 1 1
4 701 1 1 11 . N N -4.484 4.345 1.747 1.00 . A A . 10 TS9 N 1 1
4 702 1 1 11 . OD2 O -7.721 3.916 1.755 1.00 . A A . 10 TS9 OD2 1 1
4 703 1 1 11 . OG3 O -5.065 1.429 1.582 1.00 . A A . 10 TS9 OG3 1 1
4 704 1 1 12 . C C -0.788 1.499 4.180 1.00 . A A . 11 BB9 C 1 1
4 705 1 1 12 . CA C -2.097 2.102 4.344 1.00 . A A . 11 BB9 CA 1 1
4 706 1 1 12 . CB C -2.674 2.337 5.633 1.00 . A A . 11 BB9 CB 1 1
4 707 1 1 12 . HB H -2.215 2.100 6.582 1.00 . A A . 11 BB9 HB 1 1
4 708 1 1 12 . N N -2.875 2.490 3.310 1.00 . A A . 11 BB9 N 1 1
4 709 1 1 12 . O O -0.064 1.147 5.111 1.00 . A A . 11 BB9 O 1 1
4 710 1 1 12 . SG S -4.187 3.047 5.422 1.00 . A A . 11 BB9 SG 1 1
4 711 1 1 13 THR C C 1.440 1.533 1.328 1.00 . A A . 12 THR C 1 1
4 712 1 1 13 THR CA C 0.857 0.784 2.524 1.00 . A A . 12 THR CA 1 1
4 713 1 1 13 THR CB C 0.755 -0.727 2.227 1.00 . A A . 12 THR CB 1 1
4 714 1 1 13 THR CG2 C 0.519 -1.525 3.497 1.00 . A A . 12 THR CG2 1 1
4 715 1 1 13 THR H H -1.063 1.626 2.199 1.00 . A A . 12 THR H 1 1
4 716 1 1 13 THR HA H 1.522 0.906 3.367 1.00 . A A . 12 THR HA 1 1
4 717 1 1 13 THR HB H 1.672 -1.066 1.766 1.00 . A A . 12 THR HB 1 1
4 718 1 1 13 THR HG21 H -0.439 -1.258 3.917 1.00 . A A . 12 THR HG21 1 1
4 719 1 1 13 THR HG22 H 1.299 -1.303 4.211 1.00 . A A . 12 THR HG22 1 1
4 720 1 1 13 THR HG23 H 0.531 -2.579 3.268 1.00 . A A . 12 THR HG23 1 1
4 721 1 1 13 THR N N -0.439 1.350 2.901 1.00 . A A . 12 THR N 1 1
4 722 1 1 13 THR OG1 O -0.404 -1.007 1.341 1.00 . A A . 12 THR OG1 1 1
4 723 1 1 14 . C C 4.121 1.958 -1.033 1.00 . A A . 13 BB9 C 1 1
4 724 1 1 14 . CA C 2.835 2.103 -0.264 1.00 . A A . 13 BB9 CA 1 1
4 725 1 1 14 . CB C 1.804 3.061 -0.515 1.00 . A A . 13 BB9 CB 1 1
4 726 1 1 14 . HB H 1.812 3.807 -1.294 1.00 . A A . 13 BB9 HB 1 1
4 727 1 1 14 . N N 2.583 1.274 0.775 1.00 . A A . 13 BB9 N 1 1
4 728 1 1 14 . SG S 0.573 2.831 0.610 1.00 . A A . 13 BB9 SG 1 1
4 729 1 1 15 . C C 7.304 1.842 0.885 1.00 . A A . 14 MH6 C 1 1
4 730 1 1 15 . CA C 6.323 1.603 -0.195 1.00 . A A . 14 MH6 CA 1 1
4 731 1 1 15 . CB C 6.771 0.791 -1.340 1.00 . A A . 14 MH6 CB 1 1
4 732 1 1 15 . HB2 H 6.997 -0.205 -0.996 1.00 . A A . 14 MH6 HB2 1 1
4 733 1 1 15 . HB3 H 7.664 1.228 -1.763 1.00 . A A . 14 MH6 HB3 1 1
4 734 1 1 15 . N N 5.165 2.136 -0.015 1.00 . A A . 14 MH6 N 1 1
4 735 1 1 16 . C C 10.578 1.389 2.216 1.00 . A A . 15 BB9 C 1 1
4 736 1 1 16 . CA C 9.197 1.757 1.975 1.00 . A A . 15 BB9 CA 1 1
4 737 1 1 16 . CB C 8.441 2.545 2.901 1.00 . A A . 15 BB9 CB 1 1
4 738 1 1 16 . HB H 8.804 2.933 3.841 1.00 . A A . 15 BB9 HB 1 1
4 739 1 1 16 . N N 8.514 1.392 0.867 1.00 . A A . 15 BB9 N 1 1
4 740 1 1 16 . O O 11.214 1.704 3.222 1.00 . A A . 15 BB9 O 1 1
4 741 1 1 16 . SG S 6.892 2.763 2.277 1.00 . A A . 15 BB9 SG 1 1
4 742 1 1 17 DHA C C 12.708 -0.644 -0.063 1.00 . A A . 16 DHA C 1 1
4 743 1 1 17 DHA CA C 12.469 0.139 1.138 1.00 . A A . 16 DHA CA 1 1
4 744 1 1 17 DHA CB C 13.427 0.327 2.035 1.00 . A A . 16 DHA CB 1 1
4 745 1 1 17 DHA H H 10.493 0.467 0.470 1.00 . A A . 16 DHA H 1 1
4 746 1 1 17 DHA HB1 H 14.404 -0.105 1.877 1.00 . A A . 16 DHA HB1 1 1
4 747 1 1 17 DHA HB2 H 13.236 0.910 2.920 1.00 . A A . 16 DHA HB2 1 1
4 748 1 1 17 DHA N N 11.093 0.666 1.219 1.00 . A A . 16 DHA N 1 1
4 749 1 1 17 DHA O O 11.771 -0.776 -0.852 1.00 . A A . 16 DHA O 1 1
4 750 1 1 18 NH2 HN1 H 14.061 -1.710 -1.082 1.00 . A A . 17 NH2 HN1 1 1
4 751 1 1 18 NH2 HN2 H 14.615 -1.047 0.390 1.00 . A A . 17 NH2 HN2 1 1
4 752 1 1 18 NH2 N N 13.904 -1.183 -0.270 1.00 . A A . 17 NH2 N 1 1
5 753 1 1 1 QUA C10 C -3.686 -2.415 -2.033 1.00 . A A . 0 QUA C10 1 1
5 754 1 1 1 QUA C11 C -0.169 -1.318 0.068 1.00 . A A . 0 QUA C11 1 1
5 755 1 1 1 QUA C13 C -2.371 -2.711 -4.195 1.00 . A A . 0 QUA C13 1 1
5 756 1 1 1 QUA C14 C -2.368 -4.225 -4.366 1.00 . A A . 0 QUA C14 1 1
5 757 1 1 1 QUA C2 C -1.426 -1.704 -0.649 1.00 . A A . 0 QUA C2 1 1
5 758 1 1 1 QUA C3 C -1.316 -2.004 -2.002 1.00 . A A . 0 QUA C3 1 1
5 759 1 1 1 QUA C4 C -2.463 -2.365 -2.711 1.00 . A A . 0 QUA C4 1 1
5 760 1 1 1 QUA C5 C -4.952 -2.774 -2.700 1.00 . A A . 0 QUA C5 1 1
5 761 1 1 1 QUA C6 C -5.986 -3.152 -2.024 1.00 . A A . 0 QUA C6 1 1
5 762 1 1 1 QUA C7 C -5.943 -3.258 -0.501 1.00 . A A . 0 QUA C7 1 1
5 763 1 1 1 QUA C8 C -5.016 -2.164 0.094 1.00 . A A . 0 QUA C8 1 1
5 764 1 1 1 QUA C9 C -3.702 -2.102 -0.681 1.00 . A A . 0 QUA C9 1 1
5 765 1 1 1 QUA H13 H -3.228 -2.311 -4.713 1.00 . A A . 0 QUA H13 1 1
5 766 1 1 1 QUA H141 H -1.429 -4.626 -4.014 1.00 . A A . 0 QUA H141 1 1
5 767 1 1 1 QUA H142 H -2.496 -4.470 -5.410 1.00 . A A . 0 QUA H142 1 1
5 768 1 1 1 QUA H143 H -3.179 -4.658 -3.791 1.00 . A A . 0 QUA H143 1 1
5 769 1 1 1 QUA H15 H -1.034 -2.568 -5.640 1.00 . A A . 0 QUA H15 1 1
5 770 1 1 1 QUA H16 H -5.432 -0.421 -0.733 1.00 . A A . 0 QUA H16 1 1
5 771 1 1 1 QUA HC3 H -0.357 -1.955 -2.498 1.00 . A A . 0 QUA HC3 1 1
5 772 1 1 1 QUA HC5 H -5.025 -2.716 -3.772 1.00 . A A . 0 QUA HC5 1 1
5 773 1 1 1 QUA HC6 H -6.893 -3.403 -2.549 1.00 . A A . 0 QUA HC6 1 1
5 774 1 1 1 QUA HC71 H -6.936 -3.157 -0.093 1.00 . A A . 0 QUA HC71 1 1
5 775 1 1 1 QUA HC8 H -4.812 -2.418 1.123 1.00 . A A . 0 QUA HC8 1 1
5 776 1 1 1 QUA N1 N -2.602 -1.746 0.037 1.00 . A A . 0 QUA N1 1 1
5 777 1 1 1 QUA O12 O 0.935 -1.287 -0.476 1.00 . A A . 0 QUA O12 1 1
5 778 1 1 1 QUA O15 O -1.183 -2.164 -4.781 1.00 . A A . 0 QUA O15 1 1
5 779 1 1 1 QUA O16 O -5.688 -0.899 0.059 1.00 . A A . 0 QUA O16 1 1
5 780 1 1 2 ILE C C -4.430 -5.150 1.984 1.00 . A A . 1 ILE C 1 1
5 781 1 1 2 ILE CA C -5.706 -5.121 1.150 1.00 . A A . 1 ILE CA 1 1
5 782 1 1 2 ILE CB C -6.332 -6.539 1.124 1.00 . A A . 1 ILE CB 1 1
5 783 1 1 2 ILE CD1 C -5.197 -7.241 -1.101 1.00 . A A . 1 ILE CD1 1 1
5 784 1 1 2 ILE CG1 C -5.439 -7.553 0.369 1.00 . A A . 1 ILE CG1 1 1
5 785 1 1 2 ILE CG2 C -7.728 -6.489 0.518 1.00 . A A . 1 ILE CG2 1 1
5 786 1 1 2 ILE H H -4.460 -4.648 -0.384 1.00 . A A . 1 ILE H 1 1
5 787 1 1 2 ILE HA H -6.411 -4.445 1.612 1.00 . A A . 1 ILE HA 1 1
5 788 1 1 2 ILE HB H -6.436 -6.867 2.148 1.00 . A A . 1 ILE HB 1 1
5 789 1 1 2 ILE HD11 H -6.106 -6.872 -1.551 1.00 . A A . 1 ILE HD11 1 1
5 790 1 1 2 ILE HD12 H -4.887 -8.141 -1.611 1.00 . A A . 1 ILE HD12 1 1
5 791 1 1 2 ILE HD13 H -4.420 -6.494 -1.195 1.00 . A A . 1 ILE HD13 1 1
5 792 1 1 2 ILE HG12 H -4.477 -7.601 0.852 1.00 . A A . 1 ILE HG12 1 1
5 793 1 1 2 ILE HG13 H -5.903 -8.528 0.424 1.00 . A A . 1 ILE HG13 1 1
5 794 1 1 2 ILE HG21 H -8.091 -7.495 0.370 1.00 . A A . 1 ILE HG21 1 1
5 795 1 1 2 ILE HG22 H -7.691 -5.976 -0.432 1.00 . A A . 1 ILE HG22 1 1
5 796 1 1 2 ILE HG23 H -8.391 -5.961 1.188 1.00 . A A . 1 ILE HG23 1 1
5 797 1 1 2 ILE N N -5.427 -4.628 -0.224 1.00 . A A . 1 ILE N 1 1
5 798 1 1 2 ILE O O -4.440 -4.822 3.171 1.00 . A A . 1 ILE O 1 1
5 799 1 1 3 ALA C C -0.928 -5.834 0.973 1.00 . A A . 2 ALA C 1 1
5 800 1 1 3 ALA CA C -2.031 -5.607 1.999 1.00 . A A . 2 ALA CA 1 1
5 801 1 1 3 ALA CB C -2.010 -6.713 3.046 1.00 . A A . 2 ALA CB 1 1
5 802 1 1 3 ALA H H -3.399 -5.798 0.401 1.00 . A A . 2 ALA H 1 1
5 803 1 1 3 ALA HA H -1.859 -4.663 2.498 1.00 . A A . 2 ALA HA 1 1
5 804 1 1 3 ALA HB1 H -2.752 -6.507 3.804 1.00 . A A . 2 ALA HB1 1 1
5 805 1 1 3 ALA HB2 H -1.032 -6.757 3.503 1.00 . A A . 2 ALA HB2 1 1
5 806 1 1 3 ALA HB3 H -2.230 -7.659 2.574 1.00 . A A . 2 ALA HB3 1 1
5 807 1 1 3 ALA N N -3.331 -5.543 1.345 1.00 . A A . 2 ALA N 1 1
5 808 1 1 3 ALA O O -0.882 -6.880 0.326 1.00 . A A . 2 ALA O 1 1
5 809 1 1 4 DHA C C 2.111 -3.897 0.319 1.00 . A A . 3 DHA C 1 1
5 810 1 1 4 DHA CA C 1.087 -4.827 -0.095 1.00 . A A . 3 DHA CA 1 1
5 811 1 1 4 DHA CB C 1.212 -5.560 -1.190 1.00 . A A . 3 DHA CB 1 1
5 812 1 1 4 DHA H H -0.134 -4.078 1.435 1.00 . A A . 3 DHA H 1 1
5 813 1 1 4 DHA HB1 H 0.436 -6.255 -1.468 1.00 . A A . 3 DHA HB1 1 1
5 814 1 1 4 DHA HB2 H 2.098 -5.470 -1.801 1.00 . A A . 3 DHA HB2 1 1
5 815 1 1 4 DHA N N -0.041 -4.851 0.837 1.00 . A A . 3 DHA N 1 1
5 816 1 1 4 DHA O O 1.913 -3.281 1.363 1.00 . A A . 3 DHA O 1 1
5 817 1 1 5 ALA C C 4.458 -1.757 -1.134 1.00 . A A . 4 ALA C 1 1
5 818 1 1 5 ALA CA C 4.228 -2.788 -0.038 1.00 . A A . 4 ALA CA 1 1
5 819 1 1 5 ALA CB C 5.501 -3.542 0.283 1.00 . A A . 4 ALA CB 1 1
5 820 1 1 5 ALA H H 3.291 -4.243 -1.250 1.00 . A A . 4 ALA H 1 1
5 821 1 1 5 ALA HA H 3.906 -2.276 0.858 1.00 . A A . 4 ALA HA 1 1
5 822 1 1 5 ALA HB1 H 6.241 -2.858 0.666 1.00 . A A . 4 ALA HB1 1 1
5 823 1 1 5 ALA HB2 H 5.874 -4.016 -0.613 1.00 . A A . 4 ALA HB2 1 1
5 824 1 1 5 ALA HB3 H 5.285 -4.297 1.027 1.00 . A A . 4 ALA HB3 1 1
5 825 1 1 5 ALA N N 3.189 -3.727 -0.423 1.00 . A A . 4 ALA N 1 1
5 826 1 1 5 ALA O O 4.843 -2.104 -2.250 1.00 . A A . 4 ALA O 1 1
5 827 1 1 6 SER C C 3.231 0.460 -2.832 1.00 . A A . 5 SER C 1 1
5 828 1 1 6 SER CA C 4.281 0.609 -1.830 1.00 . A A . 5 SER CA 1 1
5 829 1 1 6 SER CB C 5.704 0.686 -2.455 1.00 . A A . 5 SER CB 1 1
5 830 1 1 6 SER H H 3.971 -0.274 0.122 1.00 . A A . 5 SER H 1 1
5 831 1 1 6 SER HB2 H 5.886 -0.189 -3.059 1.00 . A A . 5 SER HB2 1 1
5 832 1 1 6 SER HB3 H 5.780 1.570 -3.071 1.00 . A A . 5 SER HB3 1 1
5 833 1 1 6 SER N N 4.207 -0.488 -0.805 1.00 . A A . 5 SER N 1 1
5 834 1 1 7 . C C -0.149 0.810 -3.937 1.00 . A A . 6 BB9 C 1 1
5 835 1 1 7 . CA C 1.267 0.525 -3.819 1.00 . A A . 6 BB9 CA 1 1
5 836 1 1 7 . CB C 2.020 -0.062 -4.878 1.00 . A A . 6 BB9 CB 1 1
5 837 1 1 7 . HB H 1.634 -0.352 -5.844 1.00 . A A . 6 BB9 HB 1 1
5 838 1 1 7 . N N 1.986 0.794 -2.709 1.00 . A A . 6 BB9 N 1 1
5 839 1 1 7 . O O -0.820 0.594 -4.946 1.00 . A A . 6 BB9 O 1 1
5 840 1 1 7 . SG S 3.615 -0.229 -4.367 1.00 . A A . 6 BB9 SG 1 1
5 841 1 1 8 THR C C -1.880 3.439 -2.642 1.00 . A A . 7 THR C 1 1
5 842 1 1 8 THR CA C -1.993 1.930 -2.808 1.00 . A A . 7 THR CA 1 1
5 843 1 1 8 THR CB C -2.890 1.355 -1.691 1.00 . A A . 7 THR CB 1 1
5 844 1 1 8 THR CG2 C -2.268 1.557 -0.317 1.00 . A A . 7 THR CG2 1 1
5 845 1 1 8 THR H H -0.149 1.291 -1.991 1.00 . A A . 7 THR H 1 1
5 846 1 1 8 THR HA H -2.463 1.722 -3.758 1.00 . A A . 7 THR HA 1 1
5 847 1 1 8 THR HB H -3.010 0.296 -1.862 1.00 . A A . 7 THR HB 1 1
5 848 1 1 8 THR HG1 H -4.462 2.181 -0.834 1.00 . A A . 7 THR HG1 1 1
5 849 1 1 8 THR HG21 H -2.243 2.610 -0.081 1.00 . A A . 7 THR HG21 1 1
5 850 1 1 8 THR HG22 H -1.264 1.164 -0.316 1.00 . A A . 7 THR HG22 1 1
5 851 1 1 8 THR HG23 H -2.858 1.036 0.425 1.00 . A A . 7 THR HG23 1 1
5 852 1 1 8 THR N N -0.668 1.324 -2.823 1.00 . A A . 7 THR N 1 1
5 853 1 1 8 THR O O -0.812 3.960 -2.325 1.00 . A A . 7 THR O 1 1
5 854 1 1 8 THR OG1 O -4.179 1.978 -1.728 1.00 . A A . 7 THR OG1 1 1
5 855 1 1 9 DBU C C -3.405 6.235 -1.600 1.00 . A A . 8 DBU C 1 1
5 856 1 1 9 DBU CA C -3.065 5.591 -2.887 1.00 . A A . 8 DBU CA 1 1
5 857 1 1 9 DBU CB C -2.847 6.310 -3.974 1.00 . A A . 8 DBU CB 1 1
5 858 1 1 9 DBU CG C -2.484 5.662 -5.318 1.00 . A A . 8 DBU CG 1 1
5 859 1 1 9 DBU HG1 H -1.749 4.883 -5.151 1.00 . A A . 8 DBU HG1 1 1
5 860 1 1 9 DBU HG2 H -2.073 6.409 -5.980 1.00 . A A . 8 DBU HG2 1 1
5 861 1 1 9 DBU HG3 H -3.368 5.232 -5.762 1.00 . A A . 8 DBU HG3 1 1
5 862 1 1 9 DBU N N -2.985 4.133 -2.855 1.00 . A A . 8 DBU N 1 1
5 863 1 1 10 CYS C C -4.548 5.695 1.717 1.00 . A A . 9 CYS C 1 1
5 864 1 1 10 CYS CA C -3.773 6.440 0.653 1.00 . A A . 9 CYS CA 1 1
5 865 1 1 10 CYS CB C -4.596 7.597 0.096 1.00 . A A . 9 CYS CB 1 1
5 866 1 1 10 CYS HA H -2.871 6.843 1.094 1.00 . A A . 9 CYS HA 1 1
5 867 1 1 10 CYS HB2 H -5.639 7.311 0.010 1.00 . A A . 9 CYS HB2 1 1
5 868 1 1 10 CYS HB3 H -4.487 8.476 0.707 1.00 . A A . 9 CYS HB3 1 1
5 869 1 1 10 CYS N N -3.394 5.584 -0.472 1.00 . A A . 9 CYS N 1 1
5 870 1 1 10 CYS O O -5.156 6.346 2.568 1.00 . A A . 9 CYS O 1 1
5 871 1 1 10 CYS SG S -3.866 7.902 -1.520 1.00 . A A . 9 CYS SG 1 1
5 872 1 1 11 . C C -4.061 2.999 3.641 1.00 . A A . 10 TS9 C 1 1
5 873 1 1 11 . CA C -5.149 3.553 2.719 1.00 . A A . 10 TS9 CA 1 1
5 874 1 1 11 . CB C -6.005 2.398 2.091 1.00 . A A . 10 TS9 CB 1 1
5 875 1 1 11 . CD1 C -7.835 2.066 0.258 1.00 . A A . 10 TS9 CD1 1 1
5 876 1 1 11 . CG1 C -7.003 3.048 1.072 1.00 . A A . 10 TS9 CG1 1 1
5 877 1 1 11 . CG2 C -6.748 1.649 3.153 1.00 . A A . 10 TS9 CG2 1 1
5 878 1 1 11 . H H -4.085 3.917 0.927 1.00 . A A . 10 TS9 H 1 1
5 879 1 1 11 . HA H -5.799 4.198 3.292 1.00 . A A . 10 TS9 HA 1 1
5 880 1 1 11 . HD11 H -8.402 2.606 -0.486 1.00 . A A . 10 TS9 HD11 1 1
5 881 1 1 11 . HD12 H -8.513 1.539 0.914 1.00 . A A . 10 TS9 HD12 1 1
5 882 1 1 11 . HD13 H -7.182 1.359 -0.229 1.00 . A A . 10 TS9 HD13 1 1
5 883 1 1 11 . HD2 H -8.201 4.601 1.298 1.00 . A A . 10 TS9 HD2 1 1
5 884 1 1 11 . HG1 H -6.453 3.671 0.383 1.00 . A A . 10 TS9 HG1 1 1
5 885 1 1 11 . HG21 H -7.335 0.866 2.697 1.00 . A A . 10 TS9 HG21 1 1
5 886 1 1 11 . HG22 H -7.401 2.327 3.683 1.00 . A A . 10 TS9 HG22 1 1
5 887 1 1 11 . HG23 H -6.046 1.212 3.846 1.00 . A A . 10 TS9 HG23 1 1
5 888 1 1 11 . HG3 H -4.777 0.876 2.013 1.00 . A A . 10 TS9 HG3 1 1
5 889 1 1 11 . N N -4.528 4.365 1.678 1.00 . A A . 10 TS9 N 1 1
5 890 1 1 11 . OD2 O -7.878 3.882 1.845 1.00 . A A . 10 TS9 OD2 1 1
5 891 1 1 11 . OG3 O -5.146 1.512 1.397 1.00 . A A . 10 TS9 OG3 1 1
5 892 1 1 12 . C C -0.856 1.498 4.148 1.00 . A A . 11 BB9 C 1 1
5 893 1 1 12 . CA C -2.172 2.093 4.294 1.00 . A A . 11 BB9 CA 1 1
5 894 1 1 12 . CB C -2.779 2.296 5.573 1.00 . A A . 11 BB9 CB 1 1
5 895 1 1 12 . HB H -2.340 2.040 6.526 1.00 . A A . 11 BB9 HB 1 1
5 896 1 1 12 . N N -2.930 2.503 3.249 1.00 . A A . 11 BB9 N 1 1
5 897 1 1 12 . O O -0.152 1.134 5.090 1.00 . A A . 11 BB9 O 1 1
5 898 1 1 12 . SG S -4.290 3.004 5.346 1.00 . A A . 11 BB9 SG 1 1
5 899 1 1 13 THR C C 1.433 1.552 1.329 1.00 . A A . 12 THR C 1 1
5 900 1 1 13 THR CA C 0.832 0.808 2.522 1.00 . A A . 12 THR CA 1 1
5 901 1 1 13 THR CB C 0.739 -0.704 2.229 1.00 . A A . 12 THR CB 1 1
5 902 1 1 13 THR CG2 C 0.502 -1.501 3.499 1.00 . A A . 12 THR CG2 1 1
5 903 1 1 13 THR H H -1.080 1.659 2.163 1.00 . A A . 12 THR H 1 1
5 904 1 1 13 THR HA H 1.482 0.937 3.374 1.00 . A A . 12 THR HA 1 1
5 905 1 1 13 THR HB H 1.661 -1.040 1.774 1.00 . A A . 12 THR HB 1 1
5 906 1 1 13 THR HG21 H -0.464 -1.247 3.906 1.00 . A A . 12 THR HG21 1 1
5 907 1 1 13 THR HG22 H 1.270 -1.266 4.220 1.00 . A A . 12 THR HG22 1 1
5 908 1 1 13 THR HG23 H 0.531 -2.556 3.271 1.00 . A A . 12 THR HG23 1 1
5 909 1 1 13 THR N N -0.474 1.371 2.876 1.00 . A A . 12 THR N 1 1
5 910 1 1 13 THR OG1 O -0.412 -0.992 1.337 1.00 . A A . 12 THR OG1 1 1
5 911 1 1 14 . C C 4.136 1.944 -1.016 1.00 . A A . 13 BB9 C 1 1
5 912 1 1 14 . CA C 2.847 2.103 -0.254 1.00 . A A . 13 BB9 CA 1 1
5 913 1 1 14 . CB C 1.829 3.075 -0.510 1.00 . A A . 13 BB9 CB 1 1
5 914 1 1 14 . HB H 1.853 3.821 -1.290 1.00 . A A . 13 BB9 HB 1 1
5 915 1 1 14 . N N 2.576 1.279 0.784 1.00 . A A . 13 BB9 N 1 1
5 916 1 1 14 . SG S 0.587 2.862 0.606 1.00 . A A . 13 BB9 SG 1 1
5 917 1 1 15 . C C 7.317 1.699 0.898 1.00 . A A . 14 MH6 C 1 1
5 918 1 1 15 . CA C 6.329 1.526 -0.187 1.00 . A A . 14 MH6 CA 1 1
5 919 1 1 15 . CB C 6.767 0.753 -1.361 1.00 . A A . 14 MH6 CB 1 1
5 920 1 1 15 . HB2 H 7.001 -0.252 -1.052 1.00 . A A . 14 MH6 HB2 1 1
5 921 1 1 15 . HB3 H 7.656 1.207 -1.779 1.00 . A A . 14 MH6 HB3 1 1
5 922 1 1 15 . N N 5.179 2.068 0.014 1.00 . A A . 14 MH6 N 1 1
5 923 1 1 16 . C C 10.591 1.112 2.171 1.00 . A A . 15 BB9 C 1 1
5 924 1 1 16 . CA C 9.216 1.522 1.966 1.00 . A A . 15 BB9 CA 1 1
5 925 1 1 16 . CB C 8.483 2.278 2.936 1.00 . A A . 15 BB9 CB 1 1
5 926 1 1 16 . HB H 8.860 2.613 3.891 1.00 . A A . 15 BB9 HB 1 1
5 927 1 1 16 . N N 8.517 1.226 0.849 1.00 . A A . 15 BB9 N 1 1
5 928 1 1 16 . O O 11.250 1.368 3.178 1.00 . A A . 15 BB9 O 1 1
5 929 1 1 16 . SG S 6.932 2.558 2.336 1.00 . A A . 15 BB9 SG 1 1
5 930 1 1 17 DHA C C 12.613 -0.895 -0.223 1.00 . A A . 16 DHA C 1 1
5 931 1 1 17 DHA CA C 12.429 -0.136 1.005 1.00 . A A . 16 DHA CA 1 1
5 932 1 1 17 DHA CB C 13.419 0.012 1.874 1.00 . A A . 16 DHA CB 1 1
5 933 1 1 17 DHA H H 10.446 0.251 0.398 1.00 . A A . 16 DHA H 1 1
5 934 1 1 17 DHA HB1 H 14.382 -0.435 1.676 1.00 . A A . 16 DHA HB1 1 1
5 935 1 1 17 DHA HB2 H 13.267 0.578 2.780 1.00 . A A . 16 DHA HB2 1 1
5 936 1 1 17 DHA N N 11.068 0.414 1.138 1.00 . A A . 16 DHA N 1 1
5 937 1 1 17 DHA O O 11.649 -0.987 -0.982 1.00 . A A . 16 DHA O 1 1
5 938 1 1 18 NH2 HN1 H 13.910 -1.961 -1.311 1.00 . A A . 17 NH2 HN1 1 1
5 939 1 1 18 NH2 HN2 H 14.525 -1.347 0.157 1.00 . A A . 17 NH2 HN2 1 1
5 940 1 1 18 NH2 N N 13.791 -1.452 -0.483 1.00 . A A . 17 NH2 N 1 1
6 941 1 1 1 QUA C10 C -3.661 -2.431 -2.063 1.00 . A A . 0 QUA C10 1 1
6 942 1 1 1 QUA C11 C -0.162 -1.322 0.065 1.00 . A A . 0 QUA C11 1 1
6 943 1 1 1 QUA C13 C -2.322 -2.757 -4.204 1.00 . A A . 0 QUA C13 1 1
6 944 1 1 1 QUA C14 C -2.335 -4.276 -4.358 1.00 . A A . 0 QUA C14 1 1
6 945 1 1 1 QUA C2 C -1.414 -1.711 -0.662 1.00 . A A . 0 QUA C2 1 1
6 946 1 1 1 QUA C3 C -1.290 -2.027 -2.009 1.00 . A A . 0 QUA C3 1 1
6 947 1 1 1 QUA C4 C -2.430 -2.394 -2.727 1.00 . A A . 0 QUA C4 1 1
6 948 1 1 1 QUA C5 C -4.921 -2.792 -2.740 1.00 . A A . 0 QUA C5 1 1
6 949 1 1 1 QUA C6 C -5.963 -3.160 -2.073 1.00 . A A . 0 QUA C6 1 1
6 950 1 1 1 QUA C7 C -5.936 -3.249 -0.548 1.00 . A A . 0 QUA C7 1 1
6 951 1 1 1 QUA C8 C -5.015 -2.149 0.043 1.00 . A A . 0 QUA C8 1 1
6 952 1 1 1 QUA C9 C -3.692 -2.100 -0.716 1.00 . A A . 0 QUA C9 1 1
6 953 1 1 1 QUA H13 H -3.167 -2.353 -4.739 1.00 . A A . 0 QUA H13 1 1
6 954 1 1 1 QUA H141 H -2.521 -4.531 -5.391 1.00 . A A . 0 QUA H141 1 1
6 955 1 1 1 QUA H142 H -3.114 -4.697 -3.735 1.00 . A A . 0 QUA H142 1 1
6 956 1 1 1 QUA H143 H -1.378 -4.676 -4.055 1.00 . A A . 0 QUA H143 1 1
6 957 1 1 1 QUA H15 H -1.142 -2.352 -5.732 1.00 . A A . 0 QUA H15 1 1
6 958 1 1 1 QUA H16 H -5.159 -0.268 -0.537 1.00 . A A . 0 QUA H16 1 1
6 959 1 1 1 QUA HC3 H -0.326 -1.989 -2.495 1.00 . A A . 0 QUA HC3 1 1
6 960 1 1 1 QUA HC5 H -4.981 -2.745 -3.815 1.00 . A A . 0 QUA HC5 1 1
6 961 1 1 1 QUA HC6 H -6.866 -3.413 -2.606 1.00 . A A . 0 QUA HC6 1 1
6 962 1 1 1 QUA HC71 H -6.933 -3.145 -0.152 1.00 . A A . 0 QUA HC71 1 1
6 963 1 1 1 QUA HC8 H -4.826 -2.386 1.078 1.00 . A A . 0 QUA HC8 1 1
6 964 1 1 1 QUA N1 N -2.598 -1.740 0.012 1.00 . A A . 0 QUA N1 1 1
6 965 1 1 1 QUA O12 O 0.946 -1.291 -0.470 1.00 . A A . 0 QUA O12 1 1
6 966 1 1 1 QUA O15 O -1.119 -2.231 -4.780 1.00 . A A . 0 QUA O15 1 1
6 967 1 1 1 QUA O16 O -5.684 -0.882 -0.019 1.00 . A A . 0 QUA O16 1 1
6 968 1 1 2 ILE C C -4.428 -5.129 1.962 1.00 . A A . 1 ILE C 1 1
6 969 1 1 2 ILE CA C -5.704 -5.088 1.128 1.00 . A A . 1 ILE CA 1 1
6 970 1 1 2 ILE CB C -6.359 -6.491 1.120 1.00 . A A . 1 ILE CB 1 1
6 971 1 1 2 ILE CD1 C -5.213 -7.259 -1.078 1.00 . A A . 1 ILE CD1 1 1
6 972 1 1 2 ILE CG1 C -5.480 -7.538 0.395 1.00 . A A . 1 ILE CG1 1 1
6 973 1 1 2 ILE CG2 C -7.745 -6.424 0.493 1.00 . A A . 1 ILE CG2 1 1
6 974 1 1 2 ILE H H -4.454 -4.637 -0.407 1.00 . A A . 1 ILE H 1 1
6 975 1 1 2 ILE HA H -6.397 -4.393 1.585 1.00 . A A . 1 ILE HA 1 1
6 976 1 1 2 ILE HB H -6.484 -6.800 2.148 1.00 . A A . 1 ILE HB 1 1
6 977 1 1 2 ILE HD11 H -4.437 -6.509 -1.174 1.00 . A A . 1 ILE HD11 1 1
6 978 1 1 2 ILE HD12 H -6.114 -6.902 -1.551 1.00 . A A . 1 ILE HD12 1 1
6 979 1 1 2 ILE HD13 H -4.891 -8.169 -1.562 1.00 . A A . 1 ILE HD13 1 1
6 980 1 1 2 ILE HG12 H -4.524 -7.599 0.891 1.00 . A A . 1 ILE HG12 1 1
6 981 1 1 2 ILE HG13 H -5.966 -8.500 0.462 1.00 . A A . 1 ILE HG13 1 1
6 982 1 1 2 ILE HG21 H -8.133 -7.423 0.367 1.00 . A A . 1 ILE HG21 1 1
6 983 1 1 2 ILE HG22 H -7.684 -5.937 -0.469 1.00 . A A . 1 ILE HG22 1 1
6 984 1 1 2 ILE HG23 H -8.403 -5.861 1.138 1.00 . A A . 1 ILE HG23 1 1
6 985 1 1 2 ILE N N -5.421 -4.615 -0.251 1.00 . A A . 1 ILE N 1 1
6 986 1 1 2 ILE O O -4.433 -4.793 3.147 1.00 . A A . 1 ILE O 1 1
6 987 1 1 3 ALA C C -0.930 -5.841 0.955 1.00 . A A . 2 ALA C 1 1
6 988 1 1 3 ALA CA C -2.036 -5.614 1.980 1.00 . A A . 2 ALA CA 1 1
6 989 1 1 3 ALA CB C -2.023 -6.723 3.024 1.00 . A A . 2 ALA CB 1 1
6 990 1 1 3 ALA H H -3.407 -5.811 0.385 1.00 . A A . 2 ALA H 1 1
6 991 1 1 3 ALA HA H -1.862 -4.674 2.483 1.00 . A A . 2 ALA HA 1 1
6 992 1 1 3 ALA HB1 H -2.198 -7.673 2.541 1.00 . A A . 2 ALA HB1 1 1
6 993 1 1 3 ALA HB2 H -2.798 -6.541 3.753 1.00 . A A . 2 ALA HB2 1 1
6 994 1 1 3 ALA HB3 H -1.062 -6.742 3.516 1.00 . A A . 2 ALA HB3 1 1
6 995 1 1 3 ALA N N -3.336 -5.544 1.325 1.00 . A A . 2 ALA N 1 1
6 996 1 1 3 ALA O O -0.895 -6.875 0.290 1.00 . A A . 2 ALA O 1 1
6 997 1 1 4 DHA C C 2.124 -3.905 0.335 1.00 . A A . 3 DHA C 1 1
6 998 1 1 4 DHA CA C 1.106 -4.840 -0.083 1.00 . A A . 3 DHA CA 1 1
6 999 1 1 4 DHA CB C 1.241 -5.574 -1.176 1.00 . A A . 3 DHA CB 1 1
6 1000 1 1 4 DHA H H -0.114 -4.104 1.454 1.00 . A A . 3 DHA H 1 1
6 1001 1 1 4 DHA HB1 H 0.468 -6.271 -1.457 1.00 . A A . 3 DHA HB1 1 1
6 1002 1 1 4 DHA HB2 H 2.128 -5.480 -1.783 1.00 . A A . 3 DHA HB2 1 1
6 1003 1 1 4 DHA N N -0.026 -4.867 0.843 1.00 . A A . 3 DHA N 1 1
6 1004 1 1 4 DHA O O 1.919 -3.289 1.377 1.00 . A A . 3 DHA O 1 1
6 1005 1 1 5 ALA C C 4.461 -1.752 -1.118 1.00 . A A . 4 ALA C 1 1
6 1006 1 1 5 ALA CA C 4.235 -2.780 -0.020 1.00 . A A . 4 ALA CA 1 1
6 1007 1 1 5 ALA CB C 5.512 -3.527 0.308 1.00 . A A . 4 ALA CB 1 1
6 1008 1 1 5 ALA H H 3.311 -4.245 -1.230 1.00 . A A . 4 ALA H 1 1
6 1009 1 1 5 ALA HA H 3.906 -2.270 0.874 1.00 . A A . 4 ALA HA 1 1
6 1010 1 1 5 ALA HB1 H 5.293 -4.299 1.032 1.00 . A A . 4 ALA HB1 1 1
6 1011 1 1 5 ALA HB2 H 6.238 -2.841 0.719 1.00 . A A . 4 ALA HB2 1 1
6 1012 1 1 5 ALA HB3 H 5.906 -3.978 -0.590 1.00 . A A . 4 ALA HB3 1 1
6 1013 1 1 5 ALA N N 3.204 -3.728 -0.405 1.00 . A A . 4 ALA N 1 1
6 1014 1 1 5 ALA O O 4.857 -2.099 -2.231 1.00 . A A . 4 ALA O 1 1
6 1015 1 1 6 SER C C 3.203 0.437 -2.831 1.00 . A A . 5 SER C 1 1
6 1016 1 1 6 SER CA C 4.253 0.607 -1.833 1.00 . A A . 5 SER CA 1 1
6 1017 1 1 6 SER CB C 5.672 0.699 -2.466 1.00 . A A . 5 SER CB 1 1
6 1018 1 1 6 SER H H 3.962 -0.263 0.129 1.00 . A A . 5 SER H 1 1
6 1019 1 1 6 SER HB2 H 5.866 -0.181 -3.060 1.00 . A A . 5 SER HB2 1 1
6 1020 1 1 6 SER HB3 H 5.730 1.575 -3.095 1.00 . A A . 5 SER HB3 1 1
6 1021 1 1 6 SER N N 4.196 -0.483 -0.797 1.00 . A A . 5 SER N 1 1
6 1022 1 1 7 . C C -0.175 0.781 -3.944 1.00 . A A . 6 BB9 C 1 1
6 1023 1 1 7 . CA C 1.238 0.489 -3.820 1.00 . A A . 6 BB9 CA 1 1
6 1024 1 1 7 . CB C 1.989 -0.129 -4.863 1.00 . A A . 6 BB9 CB 1 1
6 1025 1 1 7 . HB H 1.600 -0.440 -5.821 1.00 . A A . 6 BB9 HB 1 1
6 1026 1 1 7 . N N 1.959 0.781 -2.717 1.00 . A A . 6 BB9 N 1 1
6 1027 1 1 7 . O O -0.847 0.561 -4.952 1.00 . A A . 6 BB9 O 1 1
6 1028 1 1 7 . SG S 3.582 -0.292 -4.347 1.00 . A A . 6 BB9 SG 1 1
6 1029 1 1 8 THR C C -1.873 3.425 -2.636 1.00 . A A . 7 THR C 1 1
6 1030 1 1 8 THR CA C -2.008 1.921 -2.818 1.00 . A A . 7 THR CA 1 1
6 1031 1 1 8 THR CB C -2.918 1.346 -1.711 1.00 . A A . 7 THR CB 1 1
6 1032 1 1 8 THR CG2 C -2.303 1.534 -0.333 1.00 . A A . 7 THR CG2 1 1
6 1033 1 1 8 THR H H -0.177 1.251 -1.996 1.00 . A A . 7 THR H 1 1
6 1034 1 1 8 THR HA H -2.477 1.730 -3.773 1.00 . A A . 7 THR HA 1 1
6 1035 1 1 8 THR HB H -3.047 0.291 -1.889 1.00 . A A . 7 THR HB 1 1
6 1036 1 1 8 THR HG1 H -4.870 1.341 -1.999 1.00 . A A . 7 THR HG1 1 1
6 1037 1 1 8 THR HG21 H -2.301 2.583 -0.076 1.00 . A A . 7 THR HG21 1 1
6 1038 1 1 8 THR HG22 H -1.290 1.164 -0.339 1.00 . A A . 7 THR HG22 1 1
6 1039 1 1 8 THR HG23 H -2.881 0.987 0.397 1.00 . A A . 7 THR HG23 1 1
6 1040 1 1 8 THR N N -0.692 1.297 -2.830 1.00 . A A . 7 THR N 1 1
6 1041 1 1 8 THR O O -0.795 3.926 -2.315 1.00 . A A . 7 THR O 1 1
6 1042 1 1 8 THR OG1 O -4.201 1.983 -1.751 1.00 . A A . 7 THR OG1 1 1
6 1043 1 1 9 DBU C C -3.371 6.248 -1.587 1.00 . A A . 8 DBU C 1 1
6 1044 1 1 9 DBU CA C -3.018 5.599 -2.868 1.00 . A A . 8 DBU CA 1 1
6 1045 1 1 9 DBU CB C -2.766 6.315 -3.950 1.00 . A A . 8 DBU CB 1 1
6 1046 1 1 9 DBU CG C -2.389 5.664 -5.288 1.00 . A A . 8 DBU CG 1 1
6 1047 1 1 9 DBU HG1 H -1.963 6.406 -5.946 1.00 . A A . 8 DBU HG1 1 1
6 1048 1 1 9 DBU HG2 H -3.273 5.243 -5.744 1.00 . A A . 8 DBU HG2 1 1
6 1049 1 1 9 DBU HG3 H -1.665 4.877 -5.110 1.00 . A A . 8 DBU HG3 1 1
6 1050 1 1 9 DBU N N -2.967 4.140 -2.839 1.00 . A A . 8 DBU N 1 1
6 1051 1 1 10 CYS C C -4.582 5.730 1.708 1.00 . A A . 9 CYS C 1 1
6 1052 1 1 10 CYS CA C -3.778 6.461 0.657 1.00 . A A . 9 CYS CA 1 1
6 1053 1 1 10 CYS CB C -4.572 7.631 0.083 1.00 . A A . 9 CYS CB 1 1
6 1054 1 1 10 CYS HA H -2.877 6.851 1.112 1.00 . A A . 9 CYS HA 1 1
6 1055 1 1 10 CYS HB2 H -5.617 7.359 -0.027 1.00 . A A . 9 CYS HB2 1 1
6 1056 1 1 10 CYS HB3 H -4.464 8.507 0.698 1.00 . A A . 9 CYS HB3 1 1
6 1057 1 1 10 CYS N N -3.394 5.598 -0.460 1.00 . A A . 9 CYS N 1 1
6 1058 1 1 10 CYS O O -5.307 6.384 2.459 1.00 . A A . 9 CYS O 1 1
6 1059 1 1 10 CYS SG S -3.801 7.925 -1.515 1.00 . A A . 9 CYS SG 1 1
6 1060 1 1 11 . C C -4.035 3.010 3.716 1.00 . A A . 10 TS9 C 1 1
6 1061 1 1 11 . CA C -5.106 3.613 2.807 1.00 . A A . 10 TS9 CA 1 1
6 1062 1 1 11 . CB C -6.011 2.496 2.179 1.00 . A A . 10 TS9 CB 1 1
6 1063 1 1 11 . CD1 C -7.881 2.243 0.369 1.00 . A A . 10 TS9 CD1 1 1
6 1064 1 1 11 . CG1 C -6.960 3.183 1.136 1.00 . A A . 10 TS9 CG1 1 1
6 1065 1 1 11 . CG2 C -6.804 1.800 3.240 1.00 . A A . 10 TS9 CG2 1 1
6 1066 1 1 11 . H H -3.920 3.948 1.088 1.00 . A A . 10 TS9 H 1 1
6 1067 1 1 11 . HA H -5.726 4.279 3.389 1.00 . A A . 10 TS9 HA 1 1
6 1068 1 1 11 . HD11 H -8.418 2.800 -0.385 1.00 . A A . 10 TS9 HD11 1 1
6 1069 1 1 11 . HD12 H -8.585 1.792 1.052 1.00 . A A . 10 TS9 HD12 1 1
6 1070 1 1 11 . HD13 H -7.294 1.471 -0.105 1.00 . A A . 10 TS9 HD13 1 1
6 1071 1 1 11 . HD2 H -8.645 3.777 1.973 1.00 . A A . 10 TS9 HD2 1 1
6 1072 1 1 11 . HG1 H -6.365 3.725 0.418 1.00 . A A . 10 TS9 HG1 1 1
6 1073 1 1 11 . HG21 H -7.401 2.523 3.777 1.00 . A A . 10 TS9 HG21 1 1
6 1074 1 1 11 . HG22 H -6.134 1.307 3.927 1.00 . A A . 10 TS9 HG22 1 1
6 1075 1 1 11 . HG23 H -7.454 1.067 2.785 1.00 . A A . 10 TS9 HG23 1 1
6 1076 1 1 11 . HG3 H -4.632 2.017 0.875 1.00 . A A . 10 TS9 HG3 1 1
6 1077 1 1 11 . N N -4.460 4.405 1.766 1.00 . A A . 10 TS9 N 1 1
6 1078 1 1 11 . OD2 O -7.755 4.121 1.874 1.00 . A A . 10 TS9 OD2 1 1
6 1079 1 1 11 . OG3 O -5.191 1.558 1.507 1.00 . A A . 10 TS9 OG3 1 1
6 1080 1 1 12 . C C -0.855 1.450 4.180 1.00 . A A . 11 BB9 C 1 1
6 1081 1 1 12 . CA C -2.163 2.055 4.343 1.00 . A A . 11 BB9 CA 1 1
6 1082 1 1 12 . CB C -2.773 2.219 5.627 1.00 . A A . 11 BB9 CB 1 1
6 1083 1 1 12 . HB H -2.344 1.920 6.572 1.00 . A A . 11 BB9 HB 1 1
6 1084 1 1 12 . N N -2.910 2.513 3.312 1.00 . A A . 11 BB9 N 1 1
6 1085 1 1 12 . O O -0.157 1.046 5.109 1.00 . A A . 11 BB9 O 1 1
6 1086 1 1 12 . SG S -4.275 2.955 5.418 1.00 . A A . 11 BB9 SG 1 1
6 1087 1 1 13 THR C C 1.410 1.542 1.334 1.00 . A A . 12 THR C 1 1
6 1088 1 1 13 THR CA C 0.824 0.795 2.531 1.00 . A A . 12 THR CA 1 1
6 1089 1 1 13 THR CB C 0.731 -0.717 2.233 1.00 . A A . 12 THR CB 1 1
6 1090 1 1 13 THR CG2 C 0.487 -1.519 3.498 1.00 . A A . 12 THR CG2 1 1
6 1091 1 1 13 THR H H -1.084 1.665 2.200 1.00 . A A . 12 THR H 1 1
6 1092 1 1 13 THR HA H 1.485 0.922 3.376 1.00 . A A . 12 THR HA 1 1
6 1093 1 1 13 THR HB H 1.655 -1.050 1.782 1.00 . A A . 12 THR HB 1 1
6 1094 1 1 13 THR HG21 H 1.234 -1.267 4.235 1.00 . A A . 12 THR HG21 1 1
6 1095 1 1 13 THR HG22 H 0.545 -2.573 3.272 1.00 . A A . 12 THR HG22 1 1
6 1096 1 1 13 THR HG23 H -0.494 -1.289 3.887 1.00 . A A . 12 THR HG23 1 1
6 1097 1 1 13 THR N N -0.477 1.354 2.904 1.00 . A A . 12 THR N 1 1
6 1098 1 1 13 THR OG1 O -0.415 -0.999 1.333 1.00 . A A . 12 THR OG1 1 1
6 1099 1 1 14 . C C 4.093 1.951 -1.033 1.00 . A A . 13 BB9 C 1 1
6 1100 1 1 14 . CA C 2.808 2.102 -0.262 1.00 . A A . 13 BB9 CA 1 1
6 1101 1 1 14 . CB C 1.780 3.065 -0.512 1.00 . A A . 13 BB9 CB 1 1
6 1102 1 1 14 . HB H 1.792 3.809 -1.294 1.00 . A A . 13 BB9 HB 1 1
6 1103 1 1 14 . N N 2.551 1.277 0.779 1.00 . A A . 13 BB9 N 1 1
6 1104 1 1 14 . SG S 0.549 2.843 0.614 1.00 . A A . 13 BB9 SG 1 1
6 1105 1 1 15 . C C 7.295 1.803 0.855 1.00 . A A . 14 MH6 C 1 1
6 1106 1 1 15 . CA C 6.300 1.587 -0.218 1.00 . A A . 14 MH6 CA 1 1
6 1107 1 1 15 . CB C 6.741 0.798 -1.380 1.00 . A A . 14 MH6 CB 1 1
6 1108 1 1 15 . HB2 H 6.990 -0.198 -1.055 1.00 . A A . 14 MH6 HB2 1 1
6 1109 1 1 15 . HB3 H 7.621 1.256 -1.812 1.00 . A A . 14 MH6 HB3 1 1
6 1110 1 1 15 . N N 5.143 2.113 -0.017 1.00 . A A . 14 MH6 N 1 1
6 1111 1 1 16 . C C 10.588 1.306 2.121 1.00 . A A . 15 BB9 C 1 1
6 1112 1 1 16 . CA C 9.205 1.687 1.913 1.00 . A A . 15 BB9 CA 1 1
6 1113 1 1 16 . CB C 8.467 2.458 2.867 1.00 . A A . 15 BB9 CB 1 1
6 1114 1 1 16 . HB H 8.846 2.825 3.810 1.00 . A A . 15 BB9 HB 1 1
6 1115 1 1 16 . N N 8.503 1.348 0.809 1.00 . A A . 15 BB9 N 1 1
6 1116 1 1 16 . O O 11.250 1.606 3.114 1.00 . A A . 15 BB9 O 1 1
6 1117 1 1 16 . SG S 6.908 2.696 2.272 1.00 . A A . 15 BB9 SG 1 1
6 1118 1 1 17 DHA C C 12.608 -0.834 -0.154 1.00 . A A . 16 DHA C 1 1
6 1119 1 1 17 DHA CA C 12.441 0.054 0.984 1.00 . A A . 16 DHA CA 1 1
6 1120 1 1 17 DHA CB C 13.455 0.329 1.792 1.00 . A A . 16 DHA CB 1 1
6 1121 1 1 17 DHA H H 10.441 0.366 0.389 1.00 . A A . 16 DHA H 1 1
6 1122 1 1 17 DHA HB1 H 14.424 -0.112 1.610 1.00 . A A . 16 DHA HB1 1 1
6 1123 1 1 17 DHA HB2 H 13.317 0.990 2.632 1.00 . A A . 16 DHA HB2 1 1
6 1124 1 1 17 DHA N N 11.069 0.578 1.111 1.00 . A A . 16 DHA N 1 1
6 1125 1 1 17 DHA O O 11.621 -1.044 -0.859 1.00 . A A . 16 DHA O 1 1
6 1126 1 1 18 NH2 HN1 H 13.901 -1.983 -1.160 1.00 . A A . 17 NH2 HN1 1 1
6 1127 1 1 18 NH2 HN2 H 14.546 -1.183 0.204 1.00 . A A . 17 NH2 HN2 1 1
6 1128 1 1 18 NH2 N N 13.794 -1.384 -0.391 1.00 . A A . 17 NH2 N 1 1
7 1129 1 1 1 QUA C10 C -3.796 -2.437 -2.004 1.00 . A A . 0 QUA C10 1 1
7 1130 1 1 1 QUA C11 C -0.226 -1.377 0.031 1.00 . A A . 0 QUA C11 1 1
7 1131 1 1 1 QUA C13 C -2.523 -2.787 -4.180 1.00 . A A . 0 QUA C13 1 1
7 1132 1 1 1 QUA C14 C -2.551 -4.304 -4.334 1.00 . A A . 0 QUA C14 1 1
7 1133 1 1 1 QUA C2 C -1.500 -1.749 -0.664 1.00 . A A . 0 QUA C2 1 1
7 1134 1 1 1 QUA C3 C -1.417 -2.070 -2.016 1.00 . A A . 0 QUA C3 1 1
7 1135 1 1 1 QUA C4 C -2.582 -2.420 -2.701 1.00 . A A . 0 QUA C4 1 1
7 1136 1 1 1 QUA C5 C -5.079 -2.780 -2.644 1.00 . A A . 0 QUA C5 1 1
7 1137 1 1 1 QUA C6 C -6.108 -3.131 -1.948 1.00 . A A . 0 QUA C6 1 1
7 1138 1 1 1 QUA C7 C -6.040 -3.221 -0.425 1.00 . A A . 0 QUA C7 1 1
7 1139 1 1 1 QUA C8 C -5.086 -2.133 0.139 1.00 . A A . 0 QUA C8 1 1
7 1140 1 1 1 QUA C9 C -3.784 -2.105 -0.656 1.00 . A A . 0 QUA C9 1 1
7 1141 1 1 1 QUA H13 H -3.381 -2.379 -4.690 1.00 . A A . 0 QUA H13 1 1
7 1142 1 1 1 QUA H141 H -3.311 -4.723 -3.683 1.00 . A A . 0 QUA H141 1 1
7 1143 1 1 1 QUA H142 H -1.587 -4.712 -4.067 1.00 . A A . 0 QUA H142 1 1
7 1144 1 1 1 QUA H143 H -2.777 -4.558 -5.359 1.00 . A A . 0 QUA H143 1 1
7 1145 1 1 1 QUA H15 H -0.733 -2.990 -4.986 1.00 . A A . 0 QUA H15 1 1
7 1146 1 1 1 QUA H16 H -6.615 -0.960 -0.281 1.00 . A A . 0 QUA H16 1 1
7 1147 1 1 1 QUA HC3 H -0.466 -2.047 -2.527 1.00 . A A . 0 QUA HC3 1 1
7 1148 1 1 1 QUA HC5 H -5.169 -2.733 -3.716 1.00 . A A . 0 QUA HC5 1 1
7 1149 1 1 1 QUA HC6 H -7.029 -3.370 -2.455 1.00 . A A . 0 QUA HC6 1 1
7 1150 1 1 1 QUA HC71 H -7.024 -3.100 -0.001 1.00 . A A . 0 QUA HC71 1 1
7 1151 1 1 1 QUA HC8 H -4.871 -2.372 1.169 1.00 . A A . 0 QUA HC8 1 1
7 1152 1 1 1 QUA N1 N -2.666 -1.761 0.040 1.00 . A A . 0 QUA N1 1 1
7 1153 1 1 1 QUA O12 O 0.868 -1.355 -0.532 1.00 . A A . 0 QUA O12 1 1
7 1154 1 1 1 QUA O15 O -1.337 -2.268 -4.795 1.00 . A A . 0 QUA O15 1 1
7 1155 1 1 1 QUA O16 O -5.737 -0.857 0.093 1.00 . A A . 0 QUA O16 1 1
7 1156 1 1 2 ILE C C -4.419 -5.068 2.019 1.00 . A A . 1 ILE C 1 1
7 1157 1 1 2 ILE CA C -5.741 -5.047 1.260 1.00 . A A . 1 ILE CA 1 1
7 1158 1 1 2 ILE CB C -6.384 -6.456 1.310 1.00 . A A . 1 ILE CB 1 1
7 1159 1 1 2 ILE CD1 C -5.251 -7.265 -0.879 1.00 . A A . 1 ILE CD1 1 1
7 1160 1 1 2 ILE CG1 C -5.513 -7.519 0.601 1.00 . A A . 1 ILE CG1 1 1
7 1161 1 1 2 ILE CG2 C -7.781 -6.419 0.709 1.00 . A A . 1 ILE CG2 1 1
7 1162 1 1 2 ILE H H -4.585 -4.643 -0.362 1.00 . A A . 1 ILE H 1 1
7 1163 1 1 2 ILE HA H -6.410 -4.349 1.743 1.00 . A A . 1 ILE HA 1 1
7 1164 1 1 2 ILE HB H -6.486 -6.731 2.350 1.00 . A A . 1 ILE HB 1 1
7 1165 1 1 2 ILE HD11 H -4.504 -6.490 -0.991 1.00 . A A . 1 ILE HD11 1 1
7 1166 1 1 2 ILE HD12 H -6.165 -6.953 -1.360 1.00 . A A . 1 ILE HD12 1 1
7 1167 1 1 2 ILE HD13 H -4.895 -8.173 -1.341 1.00 . A A . 1 ILE HD13 1 1
7 1168 1 1 2 ILE HG12 H -4.555 -7.576 1.093 1.00 . A A . 1 ILE HG12 1 1
7 1169 1 1 2 ILE HG13 H -6.003 -8.478 0.686 1.00 . A A . 1 ILE HG13 1 1
7 1170 1 1 2 ILE HG21 H -8.433 -5.844 1.350 1.00 . A A . 1 ILE HG21 1 1
7 1171 1 1 2 ILE HG22 H -8.162 -7.426 0.619 1.00 . A A . 1 ILE HG22 1 1
7 1172 1 1 2 ILE HG23 H -7.742 -5.960 -0.268 1.00 . A A . 1 ILE HG23 1 1
7 1173 1 1 2 ILE N N -5.538 -4.596 -0.142 1.00 . A A . 1 ILE N 1 1
7 1174 1 1 2 ILE O O -4.363 -4.742 3.205 1.00 . A A . 1 ILE O 1 1
7 1175 1 1 3 ALA C C -0.967 -5.703 0.815 1.00 . A A . 2 ALA C 1 1
7 1176 1 1 3 ALA CA C -2.021 -5.516 1.901 1.00 . A A . 2 ALA CA 1 1
7 1177 1 1 3 ALA CB C -1.934 -6.644 2.921 1.00 . A A . 2 ALA CB 1 1
7 1178 1 1 3 ALA H H -3.475 -5.710 0.379 1.00 . A A . 2 ALA H 1 1
7 1179 1 1 3 ALA HA H -1.838 -4.582 2.413 1.00 . A A . 2 ALA HA 1 1
7 1180 1 1 3 ALA HB1 H -0.938 -6.675 3.338 1.00 . A A . 2 ALA HB1 1 1
7 1181 1 1 3 ALA HB2 H -2.150 -7.585 2.436 1.00 . A A . 2 ALA HB2 1 1
7 1182 1 1 3 ALA HB3 H -2.649 -6.473 3.711 1.00 . A A . 2 ALA HB3 1 1
7 1183 1 1 3 ALA N N -3.356 -5.456 1.318 1.00 . A A . 2 ALA N 1 1
7 1184 1 1 3 ALA O O -1.021 -6.665 0.049 1.00 . A A . 2 ALA O 1 1
7 1185 1 1 4 DHA C C 2.170 -3.869 0.269 1.00 . A A . 3 DHA C 1 1
7 1186 1 1 4 DHA CA C 1.102 -4.730 -0.186 1.00 . A A . 3 DHA CA 1 1
7 1187 1 1 4 DHA CB C 1.182 -5.388 -1.331 1.00 . A A . 3 DHA CB 1 1
7 1188 1 1 4 DHA H H -0.040 -4.069 1.442 1.00 . A A . 3 DHA H 1 1
7 1189 1 1 4 DHA HB1 H 0.376 -6.032 -1.643 1.00 . A A . 3 DHA HB1 1 1
7 1190 1 1 4 DHA HB2 H 2.058 -5.285 -1.953 1.00 . A A . 3 DHA HB2 1 1
7 1191 1 1 4 DHA N N -0.009 -4.778 0.766 1.00 . A A . 3 DHA N 1 1
7 1192 1 1 4 DHA O O 2.018 -3.324 1.359 1.00 . A A . 3 DHA O 1 1
7 1193 1 1 5 ALA C C 4.540 -1.715 -1.143 1.00 . A A . 4 ALA C 1 1
7 1194 1 1 5 ALA CA C 4.299 -2.779 -0.083 1.00 . A A . 4 ALA CA 1 1
7 1195 1 1 5 ALA CB C 5.558 -3.575 0.192 1.00 . A A . 4 ALA CB 1 1
7 1196 1 1 5 ALA H H 3.305 -4.150 -1.346 1.00 . A A . 4 ALA H 1 1
7 1197 1 1 5 ALA HA H 4.000 -2.295 0.836 1.00 . A A . 4 ALA HA 1 1
7 1198 1 1 5 ALA HB1 H 5.329 -4.369 0.888 1.00 . A A . 4 ALA HB1 1 1
7 1199 1 1 5 ALA HB2 H 6.310 -2.927 0.615 1.00 . A A . 4 ALA HB2 1 1
7 1200 1 1 5 ALA HB3 H 5.922 -4.001 -0.731 1.00 . A A . 4 ALA HB3 1 1
7 1201 1 1 5 ALA N N 3.233 -3.678 -0.491 1.00 . A A . 4 ALA N 1 1
7 1202 1 1 5 ALA O O 4.960 -2.025 -2.257 1.00 . A A . 4 ALA O 1 1
7 1203 1 1 6 SER C C 3.320 0.516 -2.819 1.00 . A A . 5 SER C 1 1
7 1204 1 1 6 SER CA C 4.339 0.665 -1.787 1.00 . A A . 5 SER CA 1 1
7 1205 1 1 6 SER CB C 5.776 0.783 -2.371 1.00 . A A . 5 SER CB 1 1
7 1206 1 1 6 SER H H 4.003 -0.268 0.139 1.00 . A A . 5 SER H 1 1
7 1207 1 1 6 SER HB2 H 5.991 -0.070 -2.995 1.00 . A A . 5 SER HB2 1 1
7 1208 1 1 6 SER HB3 H 5.855 1.687 -2.957 1.00 . A A . 5 SER HB3 1 1
7 1209 1 1 6 SER N N 4.261 -0.457 -0.788 1.00 . A A . 5 SER N 1 1
7 1210 1 1 7 . C C -0.035 0.833 -4.017 1.00 . A A . 6 BB9 C 1 1
7 1211 1 1 7 . CA C 1.381 0.567 -3.860 1.00 . A A . 6 BB9 CA 1 1
7 1212 1 1 7 . CB C 2.173 0.005 -4.905 1.00 . A A . 6 BB9 CB 1 1
7 1213 1 1 7 . HB H 1.818 -0.276 -5.885 1.00 . A A . 6 BB9 HB 1 1
7 1214 1 1 7 . N N 2.065 0.831 -2.726 1.00 . A A . 6 BB9 N 1 1
7 1215 1 1 7 . O O -0.670 0.630 -5.052 1.00 . A A . 6 BB9 O 1 1
7 1216 1 1 7 . SG S 3.755 -0.147 -4.350 1.00 . A A . 6 BB9 SG 1 1
7 1217 1 1 8 THR C C -1.821 3.417 -2.743 1.00 . A A . 7 THR C 1 1
7 1218 1 1 8 THR CA C -1.929 1.911 -2.926 1.00 . A A . 7 THR CA 1 1
7 1219 1 1 8 THR CB C -2.856 1.320 -1.840 1.00 . A A . 7 THR CB 1 1
7 1220 1 1 8 THR CG2 C -2.280 1.520 -0.446 1.00 . A A . 7 THR CG2 1 1
7 1221 1 1 8 THR H H -0.113 1.252 -2.058 1.00 . A A . 7 THR H 1 1
7 1222 1 1 8 THR HA H -2.370 1.711 -3.892 1.00 . A A . 7 THR HA 1 1
7 1223 1 1 8 THR HB H -2.961 0.262 -2.019 1.00 . A A . 7 THR HB 1 1
7 1224 1 1 8 THR HG1 H -4.697 1.450 -2.539 1.00 . A A . 7 THR HG1 1 1
7 1225 1 1 8 THR HG21 H -2.280 2.572 -0.201 1.00 . A A . 7 THR HG21 1 1
7 1226 1 1 8 THR HG22 H -1.270 1.143 -0.418 1.00 . A A . 7 THR HG22 1 1
7 1227 1 1 8 THR HG23 H -2.883 0.984 0.272 1.00 . A A . 7 THR HG23 1 1
7 1228 1 1 8 THR N N -0.600 1.310 -2.907 1.00 . A A . 7 THR N 1 1
7 1229 1 1 8 THR O O -0.739 3.942 -2.476 1.00 . A A . 7 THR O 1 1
7 1230 1 1 8 THR OG1 O -4.150 1.932 -1.914 1.00 . A A . 7 THR OG1 1 1
7 1231 1 1 9 DBU C C -3.402 6.205 -1.623 1.00 . A A . 8 DBU C 1 1
7 1232 1 1 9 DBU CA C -3.018 5.572 -2.904 1.00 . A A . 8 DBU CA 1 1
7 1233 1 1 9 DBU CB C -2.763 6.303 -3.977 1.00 . A A . 8 DBU CB 1 1
7 1234 1 1 9 DBU CG C -2.351 5.673 -5.316 1.00 . A A . 8 DBU CG 1 1
7 1235 1 1 9 DBU HG1 H -3.217 5.231 -5.787 1.00 . A A . 8 DBU HG1 1 1
7 1236 1 1 9 DBU HG2 H -1.610 4.904 -5.136 1.00 . A A . 8 DBU HG2 1 1
7 1237 1 1 9 DBU HG3 H -1.935 6.433 -5.961 1.00 . A A . 8 DBU HG3 1 1
7 1238 1 1 9 DBU N N -2.938 4.112 -2.887 1.00 . A A . 8 DBU N 1 1
7 1239 1 1 10 CYS C C -4.650 5.652 1.657 1.00 . A A . 9 CYS C 1 1
7 1240 1 1 10 CYS CA C -3.840 6.400 0.619 1.00 . A A . 9 CYS CA 1 1
7 1241 1 1 10 CYS CB C -4.640 7.566 0.044 1.00 . A A . 9 CYS CB 1 1
7 1242 1 1 10 CYS HA H -2.951 6.798 1.090 1.00 . A A . 9 CYS HA 1 1
7 1243 1 1 10 CYS HB2 H -5.683 7.287 -0.072 1.00 . A A . 9 CYS HB2 1 1
7 1244 1 1 10 CYS HB3 H -4.542 8.440 0.663 1.00 . A A . 9 CYS HB3 1 1
7 1245 1 1 10 CYS N N -3.427 5.549 -0.498 1.00 . A A . 9 CYS N 1 1
7 1246 1 1 10 CYS O O -5.445 6.284 2.354 1.00 . A A . 9 CYS O 1 1
7 1247 1 1 10 CYS SG S -3.864 7.873 -1.550 1.00 . A A . 9 CYS SG 1 1
7 1248 1 1 11 . C C -4.026 2.940 3.710 1.00 . A A . 10 TS9 C 1 1
7 1249 1 1 11 . CA C -5.098 3.542 2.803 1.00 . A A . 10 TS9 CA 1 1
7 1250 1 1 11 . CB C -6.003 2.424 2.174 1.00 . A A . 10 TS9 CB 1 1
7 1251 1 1 11 . CD1 C -7.881 2.175 0.373 1.00 . A A . 10 TS9 CD1 1 1
7 1252 1 1 11 . CG1 C -6.970 3.116 1.151 1.00 . A A . 10 TS9 CG1 1 1
7 1253 1 1 11 . CG2 C -6.779 1.711 3.237 1.00 . A A . 10 TS9 CG2 1 1
7 1254 1 1 11 . H H -3.864 3.893 1.120 1.00 . A A . 10 TS9 H 1 1
7 1255 1 1 11 . HA H -5.718 4.205 3.387 1.00 . A A . 10 TS9 HA 1 1
7 1256 1 1 11 . HD11 H -7.286 1.419 -0.116 1.00 . A A . 10 TS9 HD11 1 1
7 1257 1 1 11 . HD12 H -8.428 2.737 -0.371 1.00 . A A . 10 TS9 HD12 1 1
7 1258 1 1 11 . HD13 H -8.577 1.704 1.050 1.00 . A A . 10 TS9 HD13 1 1
7 1259 1 1 11 . HD2 H -7.343 4.883 1.946 1.00 . A A . 10 TS9 HD2 1 1
7 1260 1 1 11 . HG1 H -6.389 3.681 0.439 1.00 . A A . 10 TS9 HG1 1 1
7 1261 1 1 11 . HG21 H -6.097 1.210 3.909 1.00 . A A . 10 TS9 HG21 1 1
7 1262 1 1 11 . HG22 H -7.432 0.983 2.780 1.00 . A A . 10 TS9 HG22 1 1
7 1263 1 1 11 . HG23 H -7.369 2.424 3.792 1.00 . A A . 10 TS9 HG23 1 1
7 1264 1 1 11 . HG3 H -4.385 1.942 1.183 1.00 . A A . 10 TS9 HG3 1 1
7 1265 1 1 11 . N N -4.456 4.338 1.762 1.00 . A A . 10 TS9 N 1 1
7 1266 1 1 11 . OD2 O -7.774 4.026 1.913 1.00 . A A . 10 TS9 OD2 1 1
7 1267 1 1 11 . OG3 O -5.183 1.500 1.483 1.00 . A A . 10 TS9 OG3 1 1
7 1268 1 1 12 . C C -0.853 1.362 4.170 1.00 . A A . 11 BB9 C 1 1
7 1269 1 1 12 . CA C -2.157 1.978 4.335 1.00 . A A . 11 BB9 CA 1 1
7 1270 1 1 12 . CB C -2.759 2.155 5.621 1.00 . A A . 11 BB9 CB 1 1
7 1271 1 1 12 . HB H -2.326 1.862 6.564 1.00 . A A . 11 BB9 HB 1 1
7 1272 1 1 12 . N N -2.906 2.432 3.304 1.00 . A A . 11 BB9 N 1 1
7 1273 1 1 12 . O O -0.154 0.957 5.098 1.00 . A A . 11 BB9 O 1 1
7 1274 1 1 12 . SG S -4.255 2.900 5.414 1.00 . A A . 11 BB9 SG 1 1
7 1275 1 1 13 THR C C 1.422 1.483 1.348 1.00 . A A . 12 THR C 1 1
7 1276 1 1 13 THR CA C 0.822 0.707 2.520 1.00 . A A . 12 THR CA 1 1
7 1277 1 1 13 THR CB C 0.724 -0.796 2.185 1.00 . A A . 12 THR CB 1 1
7 1278 1 1 13 THR CG2 C 0.506 -1.628 3.437 1.00 . A A . 12 THR CG2 1 1
7 1279 1 1 13 THR H H -1.087 1.574 2.191 1.00 . A A . 12 THR H 1 1
7 1280 1 1 13 THR HA H 1.476 0.810 3.374 1.00 . A A . 12 THR HA 1 1
7 1281 1 1 13 THR HB H 1.637 -1.118 1.705 1.00 . A A . 12 THR HB 1 1
7 1282 1 1 13 THR HG21 H 1.288 -1.416 4.151 1.00 . A A . 12 THR HG21 1 1
7 1283 1 1 13 THR HG22 H 0.528 -2.676 3.179 1.00 . A A . 12 THR HG22 1 1
7 1284 1 1 13 THR HG23 H -0.453 -1.384 3.868 1.00 . A A . 12 THR HG23 1 1
7 1285 1 1 13 THR N N -0.478 1.265 2.894 1.00 . A A . 12 THR N 1 1
7 1286 1 1 13 THR OG1 O -0.444 -1.057 1.306 1.00 . A A . 12 THR OG1 1 1
7 1287 1 1 14 . C C 4.146 1.982 -0.950 1.00 . A A . 13 BB9 C 1 1
7 1288 1 1 14 . CA C 2.843 2.096 -0.206 1.00 . A A . 13 BB9 CA 1 1
7 1289 1 1 14 . CB C 1.803 3.043 -0.463 1.00 . A A . 13 BB9 CB 1 1
7 1290 1 1 14 . HB H 1.817 3.801 -1.232 1.00 . A A . 13 BB9 HB 1 1
7 1291 1 1 14 . N N 2.580 1.248 0.815 1.00 . A A . 13 BB9 N 1 1
7 1292 1 1 14 . SG S 0.552 2.779 0.631 1.00 . A A . 13 BB9 SG 1 1
7 1293 1 1 15 . C C 7.292 1.793 1.030 1.00 . A A . 14 MH6 C 1 1
7 1294 1 1 15 . CA C 6.333 1.599 -0.077 1.00 . A A . 14 MH6 CA 1 1
7 1295 1 1 15 . CB C 6.808 0.835 -1.244 1.00 . A A . 14 MH6 CB 1 1
7 1296 1 1 15 . HB2 H 7.028 -0.175 -0.936 1.00 . A A . 14 MH6 HB2 1 1
7 1297 1 1 15 . HB3 H 7.710 1.290 -1.630 1.00 . A A . 14 MH6 HB3 1 1
7 1298 1 1 15 . N N 5.169 2.122 0.098 1.00 . A A . 14 MH6 N 1 1
7 1299 1 1 16 . C C 10.532 1.256 2.410 1.00 . A A . 15 BB9 C 1 1
7 1300 1 1 16 . CA C 9.161 1.651 2.155 1.00 . A A . 15 BB9 CA 1 1
7 1301 1 1 16 . CB C 8.395 2.417 3.089 1.00 . A A . 15 BB9 CB 1 1
7 1302 1 1 16 . HB H 8.742 2.772 4.049 1.00 . A A . 15 BB9 HB 1 1
7 1303 1 1 16 . N N 8.497 1.330 1.022 1.00 . A A . 15 BB9 N 1 1
7 1304 1 1 16 . O O 11.157 1.542 3.429 1.00 . A A . 15 BB9 O 1 1
7 1305 1 1 16 . SG S 6.861 2.674 2.442 1.00 . A A . 15 BB9 SG 1 1
7 1306 1 1 17 DHA C C 12.672 -0.735 0.104 1.00 . A A . 16 DHA C 1 1
7 1307 1 1 17 DHA CA C 12.409 -0.027 1.346 1.00 . A A . 16 DHA CA 1 1
7 1308 1 1 17 DHA CB C 13.335 0.067 2.289 1.00 . A A . 16 DHA CB 1 1
7 1309 1 1 17 DHA H H 10.462 0.378 0.640 1.00 . A A . 16 DHA H 1 1
7 1310 1 1 17 DHA HB1 H 14.304 -0.387 2.140 1.00 . A A . 16 DHA HB1 1 1
7 1311 1 1 17 DHA HB2 H 13.127 0.594 3.205 1.00 . A A . 16 DHA HB2 1 1
7 1312 1 1 17 DHA N N 11.049 0.539 1.407 1.00 . A A . 16 DHA N 1 1
7 1313 1 1 17 DHA O O 11.764 -0.781 -0.727 1.00 . A A . 16 DHA O 1 1
7 1314 1 1 18 NH2 HN1 H 14.031 -1.775 -0.933 1.00 . A A . 17 NH2 HN1 1 1
7 1315 1 1 18 NH2 HN2 H 14.546 -1.232 0.601 1.00 . A A . 17 NH2 HN2 1 1
7 1316 1 1 18 NH2 N N 13.859 -1.299 -0.094 1.00 . A A . 17 NH2 N 1 1
8 1317 1 1 1 QUA C10 C -3.704 -2.405 -2.017 1.00 . A A . 0 QUA C10 1 1
8 1318 1 1 1 QUA C11 C -0.165 -1.345 0.069 1.00 . A A . 0 QUA C11 1 1
8 1319 1 1 1 QUA C13 C -2.396 -2.773 -4.169 1.00 . A A . 0 QUA C13 1 1
8 1320 1 1 1 QUA C14 C -2.439 -4.293 -4.312 1.00 . A A . 0 QUA C14 1 1
8 1321 1 1 1 QUA C2 C -1.429 -1.717 -0.645 1.00 . A A . 0 QUA C2 1 1
8 1322 1 1 1 QUA C3 C -1.325 -2.047 -1.992 1.00 . A A . 0 QUA C3 1 1
8 1323 1 1 1 QUA C4 C -2.480 -2.395 -2.694 1.00 . A A . 0 QUA C4 1 1
8 1324 1 1 1 QUA C5 C -4.978 -2.746 -2.679 1.00 . A A . 0 QUA C5 1 1
8 1325 1 1 1 QUA C6 C -6.019 -3.091 -1.998 1.00 . A A . 0 QUA C6 1 1
8 1326 1 1 1 QUA C7 C -5.974 -3.174 -0.474 1.00 . A A . 0 QUA C7 1 1
8 1327 1 1 1 QUA C8 C -5.028 -2.084 0.101 1.00 . A A . 0 QUA C8 1 1
8 1328 1 1 1 QUA C9 C -3.714 -2.065 -0.672 1.00 . A A . 0 QUA C9 1 1
8 1329 1 1 1 QUA H13 H -3.238 -2.358 -4.699 1.00 . A A . 0 QUA H13 1 1
8 1330 1 1 1 QUA H141 H -2.636 -4.553 -5.341 1.00 . A A . 0 QUA H141 1 1
8 1331 1 1 1 QUA H142 H -3.224 -4.695 -3.681 1.00 . A A . 0 QUA H142 1 1
8 1332 1 1 1 QUA H143 H -1.490 -4.708 -4.011 1.00 . A A . 0 QUA H143 1 1
8 1333 1 1 1 QUA H15 H -1.349 -1.401 -5.129 1.00 . A A . 0 QUA H15 1 1
8 1334 1 1 1 QUA H16 H -5.012 -0.113 0.009 1.00 . A A . 0 QUA H16 1 1
8 1335 1 1 1 QUA HC3 H -0.365 -2.029 -2.487 1.00 . A A . 0 QUA HC3 1 1
8 1336 1 1 1 QUA HC5 H -5.050 -2.702 -3.753 1.00 . A A . 0 QUA HC5 1 1
8 1337 1 1 1 QUA HC6 H -6.933 -3.329 -2.518 1.00 . A A . 0 QUA HC6 1 1
8 1338 1 1 1 QUA HC71 H -6.964 -3.053 -0.064 1.00 . A A . 0 QUA HC71 1 1
8 1339 1 1 1 QUA HC8 H -4.831 -2.319 1.136 1.00 . A A . 0 QUA HC8 1 1
8 1340 1 1 1 QUA N1 N -2.606 -1.720 0.041 1.00 . A A . 0 QUA N1 1 1
8 1341 1 1 1 QUA O12 O 0.939 -1.336 -0.477 1.00 . A A . 0 QUA O12 1 1
8 1342 1 1 1 QUA O15 O -1.190 -2.276 -4.764 1.00 . A A . 0 QUA O15 1 1
8 1343 1 1 1 QUA O16 O -5.675 -0.807 0.038 1.00 . A A . 0 QUA O16 1 1
8 1344 1 1 2 ILE C C -4.415 -5.075 1.998 1.00 . A A . 1 ILE C 1 1
8 1345 1 1 2 ILE CA C -5.720 -5.001 1.213 1.00 . A A . 1 ILE CA 1 1
8 1346 1 1 2 ILE CB C -6.418 -6.383 1.239 1.00 . A A . 1 ILE CB 1 1
8 1347 1 1 2 ILE CD1 C -5.344 -7.201 -0.976 1.00 . A A . 1 ILE CD1 1 1
8 1348 1 1 2 ILE CG1 C -5.592 -7.464 0.503 1.00 . A A . 1 ILE CG1 1 1
8 1349 1 1 2 ILE CG2 C -7.817 -6.277 0.649 1.00 . A A . 1 ILE CG2 1 1
8 1350 1 1 2 ILE H H -4.514 -4.589 -0.368 1.00 . A A . 1 ILE H 1 1
8 1351 1 1 2 ILE HA H -6.372 -4.281 1.689 1.00 . A A . 1 ILE HA 1 1
8 1352 1 1 2 ILE HB H -6.524 -6.675 2.274 1.00 . A A . 1 ILE HB 1 1
8 1353 1 1 2 ILE HD11 H -6.244 -6.824 -1.435 1.00 . A A . 1 ILE HD11 1 1
8 1354 1 1 2 ILE HD12 H -5.057 -8.122 -1.459 1.00 . A A . 1 ILE HD12 1 1
8 1355 1 1 2 ILE HD13 H -4.549 -6.475 -1.091 1.00 . A A . 1 ILE HD13 1 1
8 1356 1 1 2 ILE HG12 H -4.629 -7.557 0.981 1.00 . A A . 1 ILE HG12 1 1
8 1357 1 1 2 ILE HG13 H -6.111 -8.408 0.584 1.00 . A A . 1 ILE HG13 1 1
8 1358 1 1 2 ILE HG21 H -8.240 -7.265 0.547 1.00 . A A . 1 ILE HG21 1 1
8 1359 1 1 2 ILE HG22 H -7.766 -5.805 -0.321 1.00 . A A . 1 ILE HG22 1 1
8 1360 1 1 2 ILE HG23 H -8.439 -5.687 1.305 1.00 . A A . 1 ILE HG23 1 1
8 1361 1 1 2 ILE N N -5.474 -4.546 -0.179 1.00 . A A . 1 ILE N 1 1
8 1362 1 1 2 ILE O O -4.371 -4.761 3.187 1.00 . A A . 1 ILE O 1 1
8 1363 1 1 3 ALA C C -0.955 -5.814 0.872 1.00 . A A . 2 ALA C 1 1
8 1364 1 1 3 ALA CA C -2.032 -5.605 1.931 1.00 . A A . 2 ALA CA 1 1
8 1365 1 1 3 ALA CB C -2.009 -6.750 2.934 1.00 . A A . 2 ALA CB 1 1
8 1366 1 1 3 ALA H H -3.454 -5.726 0.369 1.00 . A A . 2 ALA H 1 1
8 1367 1 1 3 ALA HA H -1.830 -4.687 2.461 1.00 . A A . 2 ALA HA 1 1
8 1368 1 1 3 ALA HB1 H -2.245 -7.675 2.430 1.00 . A A . 2 ALA HB1 1 1
8 1369 1 1 3 ALA HB2 H -2.738 -6.566 3.708 1.00 . A A . 2 ALA HB2 1 1
8 1370 1 1 3 ALA HB3 H -1.027 -6.821 3.375 1.00 . A A . 2 ALA HB3 1 1
8 1371 1 1 3 ALA N N -3.350 -5.491 1.315 1.00 . A A . 2 ALA N 1 1
8 1372 1 1 3 ALA O O -0.955 -6.823 0.167 1.00 . A A . 2 ALA O 1 1
8 1373 1 1 4 DHA C C 2.128 -3.908 0.282 1.00 . A A . 3 DHA C 1 1
8 1374 1 1 4 DHA CA C 1.101 -4.829 -0.148 1.00 . A A . 3 DHA CA 1 1
8 1375 1 1 4 DHA CB C 1.233 -5.555 -1.247 1.00 . A A . 3 DHA CB 1 1
8 1376 1 1 4 DHA H H -0.112 -4.099 1.397 1.00 . A A . 3 DHA H 1 1
8 1377 1 1 4 DHA HB1 H 0.456 -6.245 -1.536 1.00 . A A . 3 DHA HB1 1 1
8 1378 1 1 4 DHA HB2 H 2.124 -5.465 -1.849 1.00 . A A . 3 DHA HB2 1 1
8 1379 1 1 4 DHA N N -0.034 -4.854 0.776 1.00 . A A . 3 DHA N 1 1
8 1380 1 1 4 DHA O O 1.925 -3.301 1.332 1.00 . A A . 3 DHA O 1 1
8 1381 1 1 5 ALA C C 4.477 -1.748 -1.143 1.00 . A A . 4 ALA C 1 1
8 1382 1 1 5 ALA CA C 4.245 -2.791 -0.059 1.00 . A A . 4 ALA CA 1 1
8 1383 1 1 5 ALA CB C 5.519 -3.547 0.258 1.00 . A A . 4 ALA CB 1 1
8 1384 1 1 5 ALA H H 3.313 -4.235 -1.288 1.00 . A A . 4 ALA H 1 1
8 1385 1 1 5 ALA HA H 3.920 -2.290 0.841 1.00 . A A . 4 ALA HA 1 1
8 1386 1 1 5 ALA HB1 H 6.256 -2.865 0.653 1.00 . A A . 4 ALA HB1 1 1
8 1387 1 1 5 ALA HB2 H 5.896 -4.009 -0.642 1.00 . A A . 4 ALA HB2 1 1
8 1388 1 1 5 ALA HB3 H 5.302 -4.310 0.991 1.00 . A A . 4 ALA HB3 1 1
8 1389 1 1 5 ALA N N 3.208 -3.727 -0.457 1.00 . A A . 4 ALA N 1 1
8 1390 1 1 5 ALA O O 4.866 -2.081 -2.263 1.00 . A A . 4 ALA O 1 1
8 1391 1 1 6 SER C C 3.291 0.498 -2.834 1.00 . A A . 5 SER C 1 1
8 1392 1 1 6 SER CA C 4.321 0.630 -1.809 1.00 . A A . 5 SER CA 1 1
8 1393 1 1 6 SER CB C 5.755 0.715 -2.407 1.00 . A A . 5 SER CB 1 1
8 1394 1 1 6 SER H H 3.982 -0.277 0.126 1.00 . A A . 5 SER H 1 1
8 1395 1 1 6 SER HB2 H 5.948 -0.152 -3.019 1.00 . A A . 5 SER HB2 1 1
8 1396 1 1 6 SER HB3 H 5.842 1.608 -3.010 1.00 . A A . 5 SER HB3 1 1
8 1397 1 1 6 SER N N 4.228 -0.480 -0.800 1.00 . A A . 5 SER N 1 1
8 1398 1 1 7 . C C -0.074 0.848 -3.998 1.00 . A A . 6 BB9 C 1 1
8 1399 1 1 7 . CA C 1.343 0.572 -3.857 1.00 . A A . 6 BB9 CA 1 1
8 1400 1 1 7 . CB C 2.122 0.019 -4.915 1.00 . A A . 6 BB9 CB 1 1
8 1401 1 1 7 . HB H 1.757 -0.249 -5.896 1.00 . A A . 6 BB9 HB 1 1
8 1402 1 1 7 . N N 2.039 0.818 -2.726 1.00 . A A . 6 BB9 N 1 1
8 1403 1 1 7 . O O -0.720 0.655 -5.028 1.00 . A A . 6 BB9 O 1 1
8 1404 1 1 7 . SG S 3.708 -0.149 -4.378 1.00 . A A . 6 BB9 SG 1 1
8 1405 1 1 8 THR C C -1.871 3.420 -2.727 1.00 . A A . 7 THR C 1 1
8 1406 1 1 8 THR CA C -1.960 1.909 -2.879 1.00 . A A . 7 THR CA 1 1
8 1407 1 1 8 THR CB C -2.855 1.329 -1.761 1.00 . A A . 7 THR CB 1 1
8 1408 1 1 8 THR CG2 C -2.243 1.550 -0.386 1.00 . A A . 7 THR CG2 1 1
8 1409 1 1 8 THR H H -0.125 1.270 -2.038 1.00 . A A . 7 THR H 1 1
8 1410 1 1 8 THR HA H -2.421 1.685 -3.830 1.00 . A A . 7 THR HA 1 1
8 1411 1 1 8 THR HB H -2.959 0.269 -1.925 1.00 . A A . 7 THR HB 1 1
8 1412 1 1 8 THR HG1 H -4.489 2.043 -0.915 1.00 . A A . 7 THR HG1 1 1
8 1413 1 1 8 THR HG21 H -2.222 2.606 -0.164 1.00 . A A . 7 THR HG21 1 1
8 1414 1 1 8 THR HG22 H -1.238 1.159 -0.374 1.00 . A A . 7 THR HG22 1 1
8 1415 1 1 8 THR HG23 H -2.836 1.038 0.357 1.00 . A A . 7 THR HG23 1 1
8 1416 1 1 8 THR N N -0.625 1.321 -2.879 1.00 . A A . 7 THR N 1 1
8 1417 1 1 8 THR O O -0.793 3.968 -2.499 1.00 . A A . 7 THR O 1 1
8 1418 1 1 8 THR OG1 O -4.153 1.933 -1.808 1.00 . A A . 7 THR OG1 1 1
8 1419 1 1 9 DBU C C -3.488 6.189 -1.612 1.00 . A A . 8 DBU C 1 1
8 1420 1 1 9 DBU CA C -3.119 5.545 -2.892 1.00 . A A . 8 DBU CA 1 1
8 1421 1 1 9 DBU CB C -2.905 6.262 -3.982 1.00 . A A . 8 DBU CB 1 1
8 1422 1 1 9 DBU CG C -2.513 5.614 -5.317 1.00 . A A . 8 DBU CG 1 1
8 1423 1 1 9 DBU HG1 H -3.376 5.126 -5.748 1.00 . A A . 8 DBU HG1 1 1
8 1424 1 1 9 DBU HG2 H -1.736 4.879 -5.143 1.00 . A A . 8 DBU HG2 1 1
8 1425 1 1 9 DBU HG3 H -2.148 6.372 -5.995 1.00 . A A . 8 DBU HG3 1 1
8 1426 1 1 9 DBU N N -3.005 4.089 -2.853 1.00 . A A . 8 DBU N 1 1
8 1427 1 1 10 CYS C C -4.659 5.648 1.695 1.00 . A A . 9 CYS C 1 1
8 1428 1 1 10 CYS CA C -3.888 6.403 0.636 1.00 . A A . 9 CYS CA 1 1
8 1429 1 1 10 CYS CB C -4.728 7.537 0.060 1.00 . A A . 9 CYS CB 1 1
8 1430 1 1 10 CYS HA H -3.000 6.829 1.083 1.00 . A A . 9 CYS HA 1 1
8 1431 1 1 10 CYS HB2 H -5.764 7.226 -0.038 1.00 . A A . 9 CYS HB2 1 1
8 1432 1 1 10 CYS HB3 H -4.647 8.421 0.667 1.00 . A A . 9 CYS HB3 1 1
8 1433 1 1 10 CYS N N -3.477 5.547 -0.479 1.00 . A A . 9 CYS N 1 1
8 1434 1 1 10 CYS O O -5.394 6.282 2.455 1.00 . A A . 9 CYS O 1 1
8 1435 1 1 10 CYS SG S -3.984 7.846 -1.549 1.00 . A A . 9 CYS SG 1 1
8 1436 1 1 11 . C C -4.038 2.939 3.698 1.00 . A A . 10 TS9 C 1 1
8 1437 1 1 11 . CA C -5.123 3.512 2.784 1.00 . A A . 10 TS9 CA 1 1
8 1438 1 1 11 . CB C -5.990 2.371 2.143 1.00 . A A . 10 TS9 CB 1 1
8 1439 1 1 11 . CD1 C -7.882 2.104 0.360 1.00 . A A . 10 TS9 CD1 1 1
8 1440 1 1 11 . CG1 C -7.055 3.054 1.217 1.00 . A A . 10 TS9 CG1 1 1
8 1441 1 1 11 . CG2 C -6.659 1.548 3.201 1.00 . A A . 10 TS9 CG2 1 1
8 1442 1 1 11 . H H -3.944 3.889 1.070 1.00 . A A . 10 TS9 H 1 1
8 1443 1 1 11 . HA H -5.767 4.156 3.365 1.00 . A A . 10 TS9 HA 1 1
8 1444 1 1 11 . HD11 H -7.223 1.490 -0.235 1.00 . A A . 10 TS9 HD11 1 1
8 1445 1 1 11 . HD12 H -8.525 2.677 -0.291 1.00 . A A . 10 TS9 HD12 1 1
8 1446 1 1 11 . HD13 H -8.484 1.475 0.997 1.00 . A A . 10 TS9 HD13 1 1
8 1447 1 1 11 . HD2 H -8.698 3.254 2.293 1.00 . A A . 10 TS9 HD2 1 1
8 1448 1 1 11 . HG1 H -6.559 3.750 0.558 1.00 . A A . 10 TS9 HG1 1 1
8 1449 1 1 11 . HG21 H -7.206 2.195 3.869 1.00 . A A . 10 TS9 HG21 1 1
8 1450 1 1 11 . HG22 H -5.913 1.001 3.758 1.00 . A A . 10 TS9 HG22 1 1
8 1451 1 1 11 . HG23 H -7.341 0.851 2.739 1.00 . A A . 10 TS9 HG23 1 1
8 1452 1 1 11 . HG3 H -4.238 1.788 1.494 1.00 . A A . 10 TS9 HG3 1 1
8 1453 1 1 11 . N N -4.498 4.328 1.749 1.00 . A A . 10 TS9 N 1 1
8 1454 1 1 11 . OD2 O -7.928 3.789 2.086 1.00 . A A . 10 TS9 OD2 1 1
8 1455 1 1 11 . OG3 O -5.155 1.543 1.354 1.00 . A A . 10 TS9 OG3 1 1
8 1456 1 1 12 . C C -0.831 1.437 4.173 1.00 . A A . 11 BB9 C 1 1
8 1457 1 1 12 . CA C -2.149 2.024 4.332 1.00 . A A . 11 BB9 CA 1 1
8 1458 1 1 12 . CB C -2.757 2.197 5.615 1.00 . A A . 11 BB9 CB 1 1
8 1459 1 1 12 . HB H -2.320 1.919 6.563 1.00 . A A . 11 BB9 HB 1 1
8 1460 1 1 12 . N N -2.906 2.456 3.296 1.00 . A A . 11 BB9 N 1 1
8 1461 1 1 12 . O O -0.125 1.056 5.107 1.00 . A A . 11 BB9 O 1 1
8 1462 1 1 12 . SG S -4.270 2.905 5.401 1.00 . A A . 11 BB9 SG 1 1
8 1463 1 1 13 THR C C 1.448 1.528 1.345 1.00 . A A . 12 THR C 1 1
8 1464 1 1 13 THR CA C 0.852 0.775 2.533 1.00 . A A . 12 THR CA 1 1
8 1465 1 1 13 THR CB C 0.755 -0.734 2.227 1.00 . A A . 12 THR CB 1 1
8 1466 1 1 13 THR CG2 C 0.519 -1.541 3.492 1.00 . A A . 12 THR CG2 1 1
8 1467 1 1 13 THR H H -1.056 1.639 2.192 1.00 . A A . 12 THR H 1 1
8 1468 1 1 13 THR HA H 1.506 0.894 3.384 1.00 . A A . 12 THR HA 1 1
8 1469 1 1 13 THR HB H 1.674 -1.068 1.766 1.00 . A A . 12 THR HB 1 1
8 1470 1 1 13 THR HG21 H 0.613 -2.593 3.270 1.00 . A A . 12 THR HG21 1 1
8 1471 1 1 13 THR HG22 H -0.474 -1.340 3.864 1.00 . A A . 12 THR HG22 1 1
8 1472 1 1 13 THR HG23 H 1.247 -1.262 4.238 1.00 . A A . 12 THR HG23 1 1
8 1473 1 1 13 THR N N -0.451 1.334 2.899 1.00 . A A . 12 THR N 1 1
8 1474 1 1 13 THR OG1 O -0.401 -1.012 1.337 1.00 . A A . 12 THR OG1 1 1
8 1475 1 1 14 . C C 4.160 1.956 -0.982 1.00 . A A . 13 BB9 C 1 1
8 1476 1 1 14 . CA C 2.864 2.098 -0.229 1.00 . A A . 13 BB9 CA 1 1
8 1477 1 1 14 . CB C 1.834 3.056 -0.492 1.00 . A A . 13 BB9 CB 1 1
8 1478 1 1 14 . HB H 1.852 3.803 -1.272 1.00 . A A . 13 BB9 HB 1 1
8 1479 1 1 14 . N N 2.598 1.270 0.806 1.00 . A A . 13 BB9 N 1 1
8 1480 1 1 14 . SG S 0.589 2.825 0.617 1.00 . A A . 13 BB9 SG 1 1
8 1481 1 1 15 . C C 7.317 1.723 0.973 1.00 . A A . 14 MH6 C 1 1
8 1482 1 1 15 . CA C 6.346 1.543 -0.126 1.00 . A A . 14 MH6 CA 1 1
8 1483 1 1 15 . CB C 6.800 0.768 -1.293 1.00 . A A . 14 MH6 CB 1 1
8 1484 1 1 15 . HB2 H 7.017 -0.240 -0.981 1.00 . A A . 14 MH6 HB2 1 1
8 1485 1 1 15 . HB3 H 7.699 1.214 -1.694 1.00 . A A . 14 MH6 HB3 1 1
8 1486 1 1 15 . N N 5.192 2.083 0.058 1.00 . A A . 14 MH6 N 1 1
8 1487 1 1 16 . C C 10.577 1.171 2.308 1.00 . A A . 15 BB9 C 1 1
8 1488 1 1 16 . CA C 9.202 1.567 2.074 1.00 . A A . 15 BB9 CA 1 1
8 1489 1 1 16 . CB C 8.446 2.322 3.028 1.00 . A A . 15 BB9 CB 1 1
8 1490 1 1 16 . HB H 8.805 2.664 3.988 1.00 . A A . 15 BB9 HB 1 1
8 1491 1 1 16 . N N 8.523 1.260 0.946 1.00 . A A . 15 BB9 N 1 1
8 1492 1 1 16 . O O 11.212 1.440 3.327 1.00 . A A . 15 BB9 O 1 1
8 1493 1 1 16 . SG S 6.904 2.586 2.402 1.00 . A A . 15 BB9 SG 1 1
8 1494 1 1 17 DHA C C 12.672 -0.861 -0.004 1.00 . A A . 16 DHA C 1 1
8 1495 1 1 17 DHA CA C 12.460 -0.053 1.186 1.00 . A A . 16 DHA CA 1 1
8 1496 1 1 17 DHA CB C 13.440 0.158 2.054 1.00 . A A . 16 DHA CB 1 1
8 1497 1 1 17 DHA H H 10.479 0.287 0.543 1.00 . A A . 16 DHA H 1 1
8 1498 1 1 17 DHA HB1 H 14.414 -0.275 1.881 1.00 . A A . 16 DHA HB1 1 1
8 1499 1 1 17 DHA HB2 H 13.269 0.761 2.932 1.00 . A A . 16 DHA HB2 1 1
8 1500 1 1 17 DHA N N 11.085 0.472 1.290 1.00 . A A . 16 DHA N 1 1
8 1501 1 1 17 DHA O O 11.716 -1.012 -0.765 1.00 . A A . 16 DHA O 1 1
8 1502 1 1 18 NH2 HN1 H 14.003 -1.944 -1.033 1.00 . A A . 17 NH2 HN1 1 1
8 1503 1 1 18 NH2 HN2 H 14.590 -1.247 0.411 1.00 . A A . 17 NH2 HN2 1 1
8 1504 1 1 18 NH2 N N 13.865 -1.401 -0.228 1.00 . A A . 17 NH2 N 1 1
9 1505 1 1 1 QUA C10 C -3.679 -2.436 -2.022 1.00 . A A . 0 QUA C10 1 1
9 1506 1 1 1 QUA C11 C -0.160 -1.321 0.070 1.00 . A A . 0 QUA C11 1 1
9 1507 1 1 1 QUA C13 C -2.352 -2.826 -4.159 1.00 . A A . 0 QUA C13 1 1
9 1508 1 1 1 QUA C14 C -2.388 -4.347 -4.282 1.00 . A A . 0 QUA C14 1 1
9 1509 1 1 1 QUA C2 C -1.419 -1.711 -0.644 1.00 . A A . 0 QUA C2 1 1
9 1510 1 1 1 QUA C3 C -1.303 -2.060 -1.985 1.00 . A A . 0 QUA C3 1 1
9 1511 1 1 1 QUA C4 C -2.450 -2.427 -2.690 1.00 . A A . 0 QUA C4 1 1
9 1512 1 1 1 QUA C5 C -4.945 -2.798 -2.688 1.00 . A A . 0 QUA C5 1 1
9 1513 1 1 1 QUA C6 C -5.989 -3.141 -2.008 1.00 . A A . 0 QUA C6 1 1
9 1514 1 1 1 QUA C7 C -5.956 -3.202 -0.484 1.00 . A A . 0 QUA C7 1 1
9 1515 1 1 1 QUA C8 C -5.023 -2.095 0.081 1.00 . A A . 0 QUA C8 1 1
9 1516 1 1 1 QUA C9 C -3.702 -2.077 -0.683 1.00 . A A . 0 QUA C9 1 1
9 1517 1 1 1 QUA H13 H -3.190 -2.421 -4.702 1.00 . A A . 0 QUA H13 1 1
9 1518 1 1 1 QUA H141 H -2.601 -4.621 -5.304 1.00 . A A . 0 QUA H141 1 1
9 1519 1 1 1 QUA H142 H -3.157 -4.747 -3.631 1.00 . A A . 0 QUA H142 1 1
9 1520 1 1 1 QUA H143 H -1.429 -4.753 -3.994 1.00 . A A . 0 QUA H143 1 1
9 1521 1 1 1 QUA H15 H -0.609 -3.069 -5.054 1.00 . A A . 0 QUA H15 1 1
9 1522 1 1 1 QUA H16 H -6.232 -0.693 0.766 1.00 . A A . 0 QUA H16 1 1
9 1523 1 1 1 QUA HC3 H -0.340 -2.043 -2.475 1.00 . A A . 0 QUA HC3 1 1
9 1524 1 1 1 QUA HC5 H -5.010 -2.769 -3.762 1.00 . A A . 0 QUA HC5 1 1
9 1525 1 1 1 QUA HC6 H -6.897 -3.394 -2.533 1.00 . A A . 0 QUA HC6 1 1
9 1526 1 1 1 QUA HC71 H -6.949 -3.084 -0.084 1.00 . A A . 0 QUA HC71 1 1
9 1527 1 1 1 QUA HC8 H -4.835 -2.311 1.122 1.00 . A A . 0 QUA HC8 1 1
9 1528 1 1 1 QUA N1 N -2.601 -1.713 0.034 1.00 . A A . 0 QUA N1 1 1
9 1529 1 1 1 QUA O12 O 0.943 -1.296 -0.476 1.00 . A A . 0 QUA O12 1 1
9 1530 1 1 1 QUA O15 O -1.142 -2.331 -4.750 1.00 . A A . 0 QUA O15 1 1
9 1531 1 1 1 QUA O16 O -5.682 -0.826 -0.010 1.00 . A A . 0 QUA O16 1 1
9 1532 1 1 2 ILE C C -4.420 -5.091 2.023 1.00 . A A . 1 ILE C 1 1
9 1533 1 1 2 ILE CA C -5.715 -5.012 1.223 1.00 . A A . 1 ILE CA 1 1
9 1534 1 1 2 ILE CB C -6.417 -6.394 1.241 1.00 . A A . 1 ILE CB 1 1
9 1535 1 1 2 ILE CD1 C -5.222 -7.236 -0.900 1.00 . A A . 1 ILE CD1 1 1
9 1536 1 1 2 ILE CG1 C -5.559 -7.488 0.562 1.00 . A A . 1 ILE CG1 1 1
9 1537 1 1 2 ILE CG2 C -7.787 -6.299 0.584 1.00 . A A . 1 ILE CG2 1 1
9 1538 1 1 2 ILE H H -4.480 -4.595 -0.334 1.00 . A A . 1 ILE H 1 1
9 1539 1 1 2 ILE HA H -6.371 -4.290 1.687 1.00 . A A . 1 ILE HA 1 1
9 1540 1 1 2 ILE HB H -6.571 -6.667 2.275 1.00 . A A . 1 ILE HB 1 1
9 1541 1 1 2 ILE HD11 H -6.097 -6.875 -1.420 1.00 . A A . 1 ILE HD11 1 1
9 1542 1 1 2 ILE HD12 H -4.893 -8.158 -1.356 1.00 . A A . 1 ILE HD12 1 1
9 1543 1 1 2 ILE HD13 H -4.431 -6.500 -0.973 1.00 . A A . 1 ILE HD13 1 1
9 1544 1 1 2 ILE HG12 H -4.629 -7.586 1.097 1.00 . A A . 1 ILE HG12 1 1
9 1545 1 1 2 ILE HG13 H -6.093 -8.426 0.619 1.00 . A A . 1 ILE HG13 1 1
9 1546 1 1 2 ILE HG21 H -7.687 -5.865 -0.400 1.00 . A A . 1 ILE HG21 1 1
9 1547 1 1 2 ILE HG22 H -8.433 -5.677 1.187 1.00 . A A . 1 ILE HG22 1 1
9 1548 1 1 2 ILE HG23 H -8.215 -7.287 0.500 1.00 . A A . 1 ILE HG23 1 1
9 1549 1 1 2 ILE N N -5.445 -4.565 -0.167 1.00 . A A . 1 ILE N 1 1
9 1550 1 1 2 ILE O O -4.390 -4.785 3.214 1.00 . A A . 1 ILE O 1 1
9 1551 1 1 3 ALA C C -0.959 -5.842 0.913 1.00 . A A . 2 ALA C 1 1
9 1552 1 1 3 ALA CA C -2.037 -5.625 1.969 1.00 . A A . 2 ALA CA 1 1
9 1553 1 1 3 ALA CB C -2.025 -6.768 2.975 1.00 . A A . 2 ALA CB 1 1
9 1554 1 1 3 ALA H H -3.450 -5.739 0.401 1.00 . A A . 2 ALA H 1 1
9 1555 1 1 3 ALA HA H -1.832 -4.705 2.498 1.00 . A A . 2 ALA HA 1 1
9 1556 1 1 3 ALA HB1 H -1.036 -6.864 3.399 1.00 . A A . 2 ALA HB1 1 1
9 1557 1 1 3 ALA HB2 H -2.294 -7.687 2.477 1.00 . A A . 2 ALA HB2 1 1
9 1558 1 1 3 ALA HB3 H -2.736 -6.564 3.761 1.00 . A A . 2 ALA HB3 1 1
9 1559 1 1 3 ALA N N -3.350 -5.506 1.347 1.00 . A A . 2 ALA N 1 1
9 1560 1 1 3 ALA O O -0.939 -6.874 0.241 1.00 . A A . 2 ALA O 1 1
9 1561 1 1 4 DHA C C 2.085 -3.912 0.256 1.00 . A A . 3 DHA C 1 1
9 1562 1 1 4 DHA CA C 1.064 -4.847 -0.153 1.00 . A A . 3 DHA CA 1 1
9 1563 1 1 4 DHA CB C 1.192 -5.589 -1.242 1.00 . A A . 3 DHA CB 1 1
9 1564 1 1 4 DHA H H -0.149 -4.096 1.381 1.00 . A A . 3 DHA H 1 1
9 1565 1 1 4 DHA HB1 H 0.418 -6.288 -1.515 1.00 . A A . 3 DHA HB1 1 1
9 1566 1 1 4 DHA HB2 H 2.078 -5.502 -1.853 1.00 . A A . 3 DHA HB2 1 1
9 1567 1 1 4 DHA N N -0.061 -4.866 0.781 1.00 . A A . 3 DHA N 1 1
9 1568 1 1 4 DHA O O 1.885 -3.292 1.298 1.00 . A A . 3 DHA O 1 1
9 1569 1 1 5 ALA C C 4.429 -1.756 -1.180 1.00 . A A . 4 ALA C 1 1
9 1570 1 1 5 ALA CA C 4.201 -2.801 -0.098 1.00 . A A . 4 ALA CA 1 1
9 1571 1 1 5 ALA CB C 5.476 -3.558 0.210 1.00 . A A . 4 ALA CB 1 1
9 1572 1 1 5 ALA H H 3.259 -4.245 -1.321 1.00 . A A . 4 ALA H 1 1
9 1573 1 1 5 ALA HA H 3.883 -2.301 0.806 1.00 . A A . 4 ALA HA 1 1
9 1574 1 1 5 ALA HB1 H 6.204 -2.884 0.633 1.00 . A A . 4 ALA HB1 1 1
9 1575 1 1 5 ALA HB2 H 5.866 -3.990 -0.701 1.00 . A A . 4 ALA HB2 1 1
9 1576 1 1 5 ALA HB3 H 5.257 -4.345 0.916 1.00 . A A . 4 ALA HB3 1 1
9 1577 1 1 5 ALA N N 3.161 -3.736 -0.489 1.00 . A A . 4 ALA N 1 1
9 1578 1 1 5 ALA O O 4.793 -2.090 -2.307 1.00 . A A . 4 ALA O 1 1
9 1579 1 1 6 SER C C 3.288 0.516 -2.852 1.00 . A A . 5 SER C 1 1
9 1580 1 1 6 SER CA C 4.317 0.626 -1.827 1.00 . A A . 5 SER CA 1 1
9 1581 1 1 6 SER CB C 5.755 0.691 -2.416 1.00 . A A . 5 SER CB 1 1
9 1582 1 1 6 SER H H 3.963 -0.288 0.103 1.00 . A A . 5 SER H 1 1
9 1583 1 1 6 SER HB2 H 5.934 -0.172 -3.039 1.00 . A A . 5 SER HB2 1 1
9 1584 1 1 6 SER HB3 H 5.864 1.589 -3.006 1.00 . A A . 5 SER HB3 1 1
9 1585 1 1 6 SER N N 4.204 -0.489 -0.825 1.00 . A A . 5 SER N 1 1
9 1586 1 1 7 . C C -0.072 0.907 -4.004 1.00 . A A . 6 BB9 C 1 1
9 1587 1 1 7 . CA C 1.342 0.618 -3.872 1.00 . A A . 6 BB9 CA 1 1
9 1588 1 1 7 . CB C 2.116 0.072 -4.938 1.00 . A A . 6 BB9 CB 1 1
9 1589 1 1 7 . HB H 1.747 -0.179 -5.921 1.00 . A A . 6 BB9 HB 1 1
9 1590 1 1 7 . N N 2.040 0.845 -2.739 1.00 . A A . 6 BB9 N 1 1
9 1591 1 1 7 . O O -0.722 0.741 -5.036 1.00 . A A . 6 BB9 O 1 1
9 1592 1 1 7 . SG S 3.701 -0.114 -4.404 1.00 . A A . 6 BB9 SG 1 1
9 1593 1 1 8 THR C C -1.857 3.456 -2.668 1.00 . A A . 7 THR C 1 1
9 1594 1 1 8 THR CA C -1.951 1.947 -2.852 1.00 . A A . 7 THR CA 1 1
9 1595 1 1 8 THR CB C -2.842 1.346 -1.742 1.00 . A A . 7 THR CB 1 1
9 1596 1 1 8 THR CG2 C -2.228 1.546 -0.365 1.00 . A A . 7 THR CG2 1 1
9 1597 1 1 8 THR H H -0.112 1.289 -2.034 1.00 . A A . 7 THR H 1 1
9 1598 1 1 8 THR HA H -2.417 1.745 -3.806 1.00 . A A . 7 THR HA 1 1
9 1599 1 1 8 THR HB H -2.944 0.287 -1.922 1.00 . A A . 7 THR HB 1 1
9 1600 1 1 8 THR HG1 H -4.809 1.264 -1.859 1.00 . A A . 7 THR HG1 1 1
9 1601 1 1 8 THR HG21 H -2.233 2.596 -0.114 1.00 . A A . 7 THR HG21 1 1
9 1602 1 1 8 THR HG22 H -1.212 1.183 -0.370 1.00 . A A . 7 THR HG22 1 1
9 1603 1 1 8 THR HG23 H -2.802 0.999 0.368 1.00 . A A . 7 THR HG23 1 1
9 1604 1 1 8 THR N N -0.617 1.358 -2.872 1.00 . A A . 7 THR N 1 1
9 1605 1 1 8 THR O O -0.787 3.988 -2.376 1.00 . A A . 7 THR O 1 1
9 1606 1 1 8 THR OG1 O -4.141 1.948 -1.776 1.00 . A A . 7 THR OG1 1 1
9 1607 1 1 9 DBU C C -3.476 6.222 -1.578 1.00 . A A . 8 DBU C 1 1
9 1608 1 1 9 DBU CA C -3.076 5.596 -2.857 1.00 . A A . 8 DBU CA 1 1
9 1609 1 1 9 DBU CB C -2.822 6.331 -3.926 1.00 . A A . 8 DBU CB 1 1
9 1610 1 1 9 DBU CG C -2.393 5.707 -5.261 1.00 . A A . 8 DBU CG 1 1
9 1611 1 1 9 DBU HG1 H -2.003 6.476 -5.911 1.00 . A A . 8 DBU HG1 1 1
9 1612 1 1 9 DBU HG2 H -3.246 5.238 -5.729 1.00 . A A . 8 DBU HG2 1 1
9 1613 1 1 9 DBU HG3 H -1.627 4.963 -5.079 1.00 . A A . 8 DBU HG3 1 1
9 1614 1 1 9 DBU N N -2.977 4.138 -2.838 1.00 . A A . 8 DBU N 1 1
9 1615 1 1 10 CYS C C -4.677 5.632 1.710 1.00 . A A . 9 CYS C 1 1
9 1616 1 1 10 CYS CA C -3.913 6.411 0.663 1.00 . A A . 9 CYS CA 1 1
9 1617 1 1 10 CYS CB C -4.773 7.530 0.084 1.00 . A A . 9 CYS CB 1 1
9 1618 1 1 10 CYS HA H -3.040 6.856 1.124 1.00 . A A . 9 CYS HA 1 1
9 1619 1 1 10 CYS HB2 H -5.799 7.194 -0.032 1.00 . A A . 9 CYS HB2 1 1
9 1620 1 1 10 CYS HB3 H -4.722 8.411 0.697 1.00 . A A . 9 CYS HB3 1 1
9 1621 1 1 10 CYS N N -3.469 5.572 -0.450 1.00 . A A . 9 CYS N 1 1
9 1622 1 1 10 CYS O O -5.346 6.252 2.537 1.00 . A A . 9 CYS O 1 1
9 1623 1 1 10 CYS SG S -4.012 7.867 -1.512 1.00 . A A . 9 CYS SG 1 1
9 1624 1 1 11 . C C -4.066 2.952 3.639 1.00 . A A . 10 TS9 C 1 1
9 1625 1 1 11 . CA C -5.173 3.464 2.715 1.00 . A A . 10 TS9 CA 1 1
9 1626 1 1 11 . CB C -5.976 2.278 2.077 1.00 . A A . 10 TS9 CB 1 1
9 1627 1 1 11 . CD1 C -7.747 1.874 0.200 1.00 . A A . 10 TS9 CD1 1 1
9 1628 1 1 11 . CG1 C -6.973 2.888 1.033 1.00 . A A . 10 TS9 CG1 1 1
9 1629 1 1 11 . CG2 C -6.716 1.511 3.128 1.00 . A A . 10 TS9 CG2 1 1
9 1630 1 1 11 . H H -4.100 3.880 0.941 1.00 . A A . 10 TS9 H 1 1
9 1631 1 1 11 . HA H -5.852 4.079 3.288 1.00 . A A . 10 TS9 HA 1 1
9 1632 1 1 11 . HD11 H -7.054 1.203 -0.284 1.00 . A A . 10 TS9 HD11 1 1
9 1633 1 1 11 . HD12 H -8.327 2.392 -0.549 1.00 . A A . 10 TS9 HD12 1 1
9 1634 1 1 11 . HD13 H -8.408 1.310 0.841 1.00 . A A . 10 TS9 HD13 1 1
9 1635 1 1 11 . HD2 H -8.045 4.521 1.325 1.00 . A A . 10 TS9 HD2 1 1
9 1636 1 1 11 . HG1 H -6.431 3.530 0.355 1.00 . A A . 10 TS9 HG1 1 1
9 1637 1 1 11 . HG21 H -6.015 1.101 3.838 1.00 . A A . 10 TS9 HG21 1 1
9 1638 1 1 11 . HG22 H -7.268 0.707 2.664 1.00 . A A . 10 TS9 HG22 1 1
9 1639 1 1 11 . HG23 H -7.401 2.170 3.640 1.00 . A A . 10 TS9 HG23 1 1
9 1640 1 1 11 . HG3 H -5.229 0.511 1.684 1.00 . A A . 10 TS9 HG3 1 1
9 1641 1 1 11 . N N -4.582 4.305 1.680 1.00 . A A . 10 TS9 N 1 1
9 1642 1 1 11 . OD2 O -7.899 3.689 1.781 1.00 . A A . 10 TS9 OD2 1 1
9 1643 1 1 11 . OG3 O -5.075 1.417 1.406 1.00 . A A . 10 TS9 OG3 1 1
9 1644 1 1 12 . C C -0.831 1.516 4.143 1.00 . A A . 11 BB9 C 1 1
9 1645 1 1 12 . CA C -2.155 2.094 4.289 1.00 . A A . 11 BB9 CA 1 1
9 1646 1 1 12 . CB C -2.749 2.322 5.571 1.00 . A A . 11 BB9 CB 1 1
9 1647 1 1 12 . HB H -2.294 2.097 6.525 1.00 . A A . 11 BB9 HB 1 1
9 1648 1 1 12 . N N -2.933 2.463 3.245 1.00 . A A . 11 BB9 N 1 1
9 1649 1 1 12 . O O -0.114 1.184 5.087 1.00 . A A . 11 BB9 O 1 1
9 1650 1 1 12 . SG S -4.274 2.999 5.344 1.00 . A A . 11 BB9 SG 1 1
9 1651 1 1 13 THR C C 1.454 1.551 1.332 1.00 . A A . 12 THR C 1 1
9 1652 1 1 13 THR CA C 0.847 0.806 2.521 1.00 . A A . 12 THR CA 1 1
9 1653 1 1 13 THR CB C 0.755 -0.705 2.226 1.00 . A A . 12 THR CB 1 1
9 1654 1 1 13 THR CG2 C 0.523 -1.502 3.498 1.00 . A A . 12 THR CG2 1 1
9 1655 1 1 13 THR H H -1.072 1.637 2.158 1.00 . A A . 12 THR H 1 1
9 1656 1 1 13 THR HA H 1.496 0.932 3.375 1.00 . A A . 12 THR HA 1 1
9 1657 1 1 13 THR HB H 1.676 -1.040 1.768 1.00 . A A . 12 THR HB 1 1
9 1658 1 1 13 THR HG21 H 0.565 -2.557 3.273 1.00 . A A . 12 THR HG21 1 1
9 1659 1 1 13 THR HG22 H -0.449 -1.259 3.901 1.00 . A A . 12 THR HG22 1 1
9 1660 1 1 13 THR HG23 H 1.286 -1.256 4.221 1.00 . A A . 12 THR HG23 1 1
9 1661 1 1 13 THR N N -0.459 1.366 2.872 1.00 . A A . 12 THR N 1 1
9 1662 1 1 13 THR OG1 O -0.400 -0.993 1.339 1.00 . A A . 12 THR OG1 1 1
9 1663 1 1 14 . C C 4.176 1.948 -0.987 1.00 . A A . 13 BB9 C 1 1
9 1664 1 1 14 . CA C 2.879 2.105 -0.240 1.00 . A A . 13 BB9 CA 1 1
9 1665 1 1 14 . CB C 1.858 3.072 -0.508 1.00 . A A . 13 BB9 CB 1 1
9 1666 1 1 14 . HB H 1.884 3.817 -1.289 1.00 . A A . 13 BB9 HB 1 1
9 1667 1 1 14 . N N 2.602 1.282 0.796 1.00 . A A . 13 BB9 N 1 1
9 1668 1 1 14 . SG S 0.608 2.855 0.599 1.00 . A A . 13 BB9 SG 1 1
9 1669 1 1 15 . C C 7.304 1.616 0.995 1.00 . A A . 14 MH6 C 1 1
9 1670 1 1 15 . CA C 6.343 1.474 -0.119 1.00 . A A . 14 MH6 CA 1 1
9 1671 1 1 15 . CB C 6.791 0.707 -1.293 1.00 . A A . 14 MH6 CB 1 1
9 1672 1 1 15 . HB2 H 6.986 -0.311 -0.994 1.00 . A A . 14 MH6 HB2 1 1
9 1673 1 1 15 . HB3 H 7.704 1.139 -1.680 1.00 . A A . 14 MH6 HB3 1 1
9 1674 1 1 15 . N N 5.200 2.038 0.062 1.00 . A A . 14 MH6 N 1 1
9 1675 1 1 16 . C C 10.515 0.940 2.380 1.00 . A A . 15 BB9 C 1 1
9 1676 1 1 16 . CA C 9.161 1.387 2.125 1.00 . A A . 15 BB9 CA 1 1
9 1677 1 1 16 . CB C 8.416 2.161 3.072 1.00 . A A . 15 BB9 CB 1 1
9 1678 1 1 16 . HB H 8.769 2.485 4.039 1.00 . A A . 15 BB9 HB 1 1
9 1679 1 1 16 . N N 8.492 1.110 0.984 1.00 . A A . 15 BB9 N 1 1
9 1680 1 1 16 . O O 11.144 1.182 3.409 1.00 . A A . 15 BB9 O 1 1
9 1681 1 1 16 . SG S 6.895 2.484 2.421 1.00 . A A . 15 BB9 SG 1 1
9 1682 1 1 17 DHA C C 12.626 -1.027 0.024 1.00 . A A . 16 DHA C 1 1
9 1683 1 1 17 DHA CA C 12.352 -0.391 1.303 1.00 . A A . 16 DHA CA 1 1
9 1684 1 1 17 DHA CB C 13.251 -0.399 2.277 1.00 . A A . 16 DHA CB 1 1
9 1685 1 1 17 DHA H H 10.433 0.118 0.583 1.00 . A A . 16 DHA H 1 1
9 1686 1 1 17 DHA HB1 H 14.205 -0.883 2.126 1.00 . A A . 16 DHA HB1 1 1
9 1687 1 1 17 DHA HB2 H 13.035 0.079 3.219 1.00 . A A . 16 DHA HB2 1 1
9 1688 1 1 17 DHA N N 11.015 0.230 1.364 1.00 . A A . 16 DHA N 1 1
9 1689 1 1 17 DHA O O 11.745 -0.978 -0.834 1.00 . A A . 16 DHA O 1 1
9 1690 1 1 18 NH2 HN1 H 13.973 -2.057 -1.039 1.00 . A A . 17 NH2 HN1 1 1
9 1691 1 1 18 NH2 HN2 H 14.460 -1.639 0.543 1.00 . A A . 17 NH2 HN2 1 1
9 1692 1 1 18 NH2 N N 13.794 -1.630 -0.176 1.00 . A A . 17 NH2 N 1 1
10 1693 1 1 1 QUA C10 C -3.666 -2.410 -2.041 1.00 . A A . 0 QUA C10 1 1
10 1694 1 1 1 QUA C11 C -0.146 -1.333 0.068 1.00 . A A . 0 QUA C11 1 1
10 1695 1 1 1 QUA C13 C -2.339 -2.759 -4.186 1.00 . A A . 0 QUA C13 1 1
10 1696 1 1 1 QUA C14 C -2.369 -4.277 -4.332 1.00 . A A . 0 QUA C14 1 1
10 1697 1 1 1 QUA C2 C -1.405 -1.711 -0.652 1.00 . A A . 0 QUA C2 1 1
10 1698 1 1 1 QUA C3 C -1.290 -2.034 -1.999 1.00 . A A . 0 QUA C3 1 1
10 1699 1 1 1 QUA C4 C -2.438 -2.389 -2.709 1.00 . A A . 0 QUA C4 1 1
10 1700 1 1 1 QUA C5 C -4.932 -2.759 -2.712 1.00 . A A . 0 QUA C5 1 1
10 1701 1 1 1 QUA C6 C -5.975 -3.112 -2.038 1.00 . A A . 0 QUA C6 1 1
10 1702 1 1 1 QUA C7 C -5.942 -3.198 -0.515 1.00 . A A . 0 QUA C7 1 1
10 1703 1 1 1 QUA C8 C -5.006 -2.105 0.070 1.00 . A A . 0 QUA C8 1 1
10 1704 1 1 1 QUA C9 C -3.687 -2.075 -0.695 1.00 . A A . 0 QUA C9 1 1
10 1705 1 1 1 QUA H13 H -3.183 -2.350 -4.719 1.00 . A A . 0 QUA H13 1 1
10 1706 1 1 1 QUA H141 H -3.170 -4.687 -3.727 1.00 . A A . 0 QUA H141 1 1
10 1707 1 1 1 QUA H142 H -1.426 -4.689 -4.002 1.00 . A A . 0 QUA H142 1 1
10 1708 1 1 1 QUA H143 H -2.532 -4.537 -5.367 1.00 . A A . 0 QUA H143 1 1
10 1709 1 1 1 QUA H15 H -0.375 -2.676 -4.363 1.00 . A A . 0 QUA H15 1 1
10 1710 1 1 1 QUA H16 H -5.003 -0.134 -0.023 1.00 . A A . 0 QUA H16 1 1
10 1711 1 1 1 QUA HC3 H -0.328 -2.009 -2.489 1.00 . A A . 0 QUA HC3 1 1
10 1712 1 1 1 QUA HC5 H -4.998 -2.712 -3.786 1.00 . A A . 0 QUA HC5 1 1
10 1713 1 1 1 QUA HC6 H -6.883 -3.355 -2.565 1.00 . A A . 0 QUA HC6 1 1
10 1714 1 1 1 QUA HC71 H -6.934 -3.085 -0.112 1.00 . A A . 0 QUA HC71 1 1
10 1715 1 1 1 QUA HC8 H -4.815 -2.342 1.106 1.00 . A A . 0 QUA HC8 1 1
10 1716 1 1 1 QUA N1 N -2.586 -1.725 0.027 1.00 . A A . 0 QUA N1 1 1
10 1717 1 1 1 QUA O12 O 0.961 -1.319 -0.473 1.00 . A A . 0 QUA O12 1 1
10 1718 1 1 1 QUA O15 O -1.133 -2.249 -4.769 1.00 . A A . 0 QUA O15 1 1
10 1719 1 1 1 QUA O16 O -5.661 -0.833 0.006 1.00 . A A . 0 QUA O16 1 1
10 1720 1 1 2 ILE C C -4.429 -5.108 1.980 1.00 . A A . 1 ILE C 1 1
10 1721 1 1 2 ILE CA C -5.714 -5.037 1.162 1.00 . A A . 1 ILE CA 1 1
10 1722 1 1 2 ILE CB C -6.396 -6.428 1.154 1.00 . A A . 1 ILE CB 1 1
10 1723 1 1 2 ILE CD1 C -5.165 -7.231 -0.983 1.00 . A A . 1 ILE CD1 1 1
10 1724 1 1 2 ILE CG1 C -5.515 -7.501 0.474 1.00 . A A . 1 ILE CG1 1 1
10 1725 1 1 2 ILE CG2 C -7.757 -6.342 0.480 1.00 . A A . 1 ILE CG2 1 1
10 1726 1 1 2 ILE H H -4.471 -4.597 -0.382 1.00 . A A . 1 ILE H 1 1
10 1727 1 1 2 ILE HA H -6.387 -4.330 1.628 1.00 . A A . 1 ILE HA 1 1
10 1728 1 1 2 ILE HB H -6.561 -6.716 2.182 1.00 . A A . 1 ILE HB 1 1
10 1729 1 1 2 ILE HD11 H -4.797 -8.139 -1.437 1.00 . A A . 1 ILE HD11 1 1
10 1730 1 1 2 ILE HD12 H -4.399 -6.469 -1.040 1.00 . A A . 1 ILE HD12 1 1
10 1731 1 1 2 ILE HD13 H -6.043 -6.896 -1.513 1.00 . A A . 1 ILE HD13 1 1
10 1732 1 1 2 ILE HG12 H -4.588 -7.592 1.018 1.00 . A A . 1 ILE HG12 1 1
10 1733 1 1 2 ILE HG13 H -6.033 -8.448 0.515 1.00 . A A . 1 ILE HG13 1 1
10 1734 1 1 2 ILE HG21 H -8.420 -5.740 1.084 1.00 . A A . 1 ILE HG21 1 1
10 1735 1 1 2 ILE HG22 H -8.169 -7.335 0.373 1.00 . A A . 1 ILE HG22 1 1
10 1736 1 1 2 ILE HG23 H -7.650 -5.890 -0.495 1.00 . A A . 1 ILE HG23 1 1
10 1737 1 1 2 ILE N N -5.436 -4.568 -0.218 1.00 . A A . 1 ILE N 1 1
10 1738 1 1 2 ILE O O -4.420 -4.811 3.176 1.00 . A A . 1 ILE O 1 1
10 1739 1 1 3 ALA C C -0.947 -5.836 0.918 1.00 . A A . 2 ALA C 1 1
10 1740 1 1 3 ALA CA C -2.040 -5.614 1.958 1.00 . A A . 2 ALA CA 1 1
10 1741 1 1 3 ALA CB C -2.038 -6.749 2.973 1.00 . A A . 2 ALA CB 1 1
10 1742 1 1 3 ALA H H -3.426 -5.727 0.366 1.00 . A A . 2 ALA H 1 1
10 1743 1 1 3 ALA HA H -1.845 -4.690 2.483 1.00 . A A . 2 ALA HA 1 1
10 1744 1 1 3 ALA HB1 H -2.748 -6.533 3.757 1.00 . A A . 2 ALA HB1 1 1
10 1745 1 1 3 ALA HB2 H -1.051 -6.850 3.398 1.00 . A A . 2 ALA HB2 1 1
10 1746 1 1 3 ALA HB3 H -2.314 -7.672 2.483 1.00 . A A . 2 ALA HB3 1 1
10 1747 1 1 3 ALA N N -3.345 -5.503 1.317 1.00 . A A . 2 ALA N 1 1
10 1748 1 1 3 ALA O O -0.926 -6.863 0.241 1.00 . A A . 2 ALA O 1 1
10 1749 1 1 4 DHA C C 2.117 -3.916 0.299 1.00 . A A . 3 DHA C 1 1
10 1750 1 1 4 DHA CA C 1.098 -4.850 -0.117 1.00 . A A . 3 DHA CA 1 1
10 1751 1 1 4 DHA CB C 1.237 -5.594 -1.202 1.00 . A A . 3 DHA CB 1 1
10 1752 1 1 4 DHA H H -0.127 -4.098 1.408 1.00 . A A . 3 DHA H 1 1
10 1753 1 1 4 DHA HB1 H 0.467 -6.294 -1.482 1.00 . A A . 3 DHA HB1 1 1
10 1754 1 1 4 DHA HB2 H 2.130 -5.509 -1.804 1.00 . A A . 3 DHA HB2 1 1
10 1755 1 1 4 DHA N N -0.038 -4.867 0.804 1.00 . A A . 3 DHA N 1 1
10 1756 1 1 4 DHA O O 1.909 -3.293 1.337 1.00 . A A . 3 DHA O 1 1
10 1757 1 1 5 ALA C C 4.449 -1.765 -1.148 1.00 . A A . 4 ALA C 1 1
10 1758 1 1 5 ALA CA C 4.228 -2.797 -0.054 1.00 . A A . 4 ALA CA 1 1
10 1759 1 1 5 ALA CB C 5.508 -3.540 0.268 1.00 . A A . 4 ALA CB 1 1
10 1760 1 1 5 ALA H H 3.308 -4.265 -1.262 1.00 . A A . 4 ALA H 1 1
10 1761 1 1 5 ALA HA H 3.902 -2.290 0.843 1.00 . A A . 4 ALA HA 1 1
10 1762 1 1 5 ALA HB1 H 5.296 -4.303 1.004 1.00 . A A . 4 ALA HB1 1 1
10 1763 1 1 5 ALA HB2 H 6.237 -2.849 0.662 1.00 . A A . 4 ALA HB2 1 1
10 1764 1 1 5 ALA HB3 H 5.891 -4.001 -0.630 1.00 . A A . 4 ALA HB3 1 1
10 1765 1 1 5 ALA N N 3.198 -3.745 -0.438 1.00 . A A . 4 ALA N 1 1
10 1766 1 1 5 ALA O O 4.819 -2.107 -2.270 1.00 . A A . 4 ALA O 1 1
10 1767 1 1 6 SER C C 3.242 0.483 -2.828 1.00 . A A . 5 SER C 1 1
10 1768 1 1 6 SER CA C 4.294 0.609 -1.826 1.00 . A A . 5 SER CA 1 1
10 1769 1 1 6 SER CB C 5.716 0.676 -2.450 1.00 . A A . 5 SER CB 1 1
10 1770 1 1 6 SER H H 3.970 -0.288 0.118 1.00 . A A . 5 SER H 1 1
10 1771 1 1 6 SER HB2 H 5.885 -0.190 -3.071 1.00 . A A . 5 SER HB2 1 1
10 1772 1 1 6 SER HB3 H 5.807 1.571 -3.048 1.00 . A A . 5 SER HB3 1 1
10 1773 1 1 6 SER N N 4.207 -0.496 -0.810 1.00 . A A . 5 SER N 1 1
10 1774 1 1 7 . C C -0.141 0.859 -3.925 1.00 . A A . 6 BB9 C 1 1
10 1775 1 1 7 . CA C 1.275 0.571 -3.811 1.00 . A A . 6 BB9 CA 1 1
10 1776 1 1 7 . CB C 2.027 0.005 -4.883 1.00 . A A . 6 BB9 CB 1 1
10 1777 1 1 7 . HB H 1.640 -0.265 -5.853 1.00 . A A . 6 BB9 HB 1 1
10 1778 1 1 7 . N N 1.995 0.817 -2.696 1.00 . A A . 6 BB9 N 1 1
10 1779 1 1 7 . O O -0.810 0.663 -4.939 1.00 . A A . 6 BB9 O 1 1
10 1780 1 1 7 . SG S 3.621 -0.175 -4.376 1.00 . A A . 6 BB9 SG 1 1
10 1781 1 1 8 THR C C -1.909 3.449 -2.624 1.00 . A A . 7 THR C 1 1
10 1782 1 1 8 THR CA C -1.998 1.939 -2.777 1.00 . A A . 7 THR CA 1 1
10 1783 1 1 8 THR CB C -2.872 1.358 -1.646 1.00 . A A . 7 THR CB 1 1
10 1784 1 1 8 THR CG2 C -2.220 1.548 -0.285 1.00 . A A . 7 THR CG2 1 1
10 1785 1 1 8 THR H H -0.140 1.313 -1.971 1.00 . A A . 7 THR H 1 1
10 1786 1 1 8 THR HA H -2.476 1.717 -3.721 1.00 . A A . 7 THR HA 1 1
10 1787 1 1 8 THR HB H -3.000 0.302 -1.822 1.00 . A A . 7 THR HB 1 1
10 1788 1 1 8 THR HG1 H -4.765 1.485 -1.099 1.00 . A A . 7 THR HG1 1 1
10 1789 1 1 8 THR HG21 H -1.210 1.169 -0.317 1.00 . A A . 7 THR HG21 1 1
10 1790 1 1 8 THR HG22 H -2.782 1.010 0.462 1.00 . A A . 7 THR HG22 1 1
10 1791 1 1 8 THR HG23 H -2.203 2.598 -0.035 1.00 . A A . 7 THR HG23 1 1
10 1792 1 1 8 THR N N -0.663 1.351 -2.801 1.00 . A A . 7 THR N 1 1
10 1793 1 1 8 THR O O -0.854 3.989 -2.288 1.00 . A A . 7 THR O 1 1
10 1794 1 1 8 THR OG1 O -4.160 1.987 -1.651 1.00 . A A . 7 THR OG1 1 1
10 1795 1 1 9 DBU C C -3.505 6.232 -1.644 1.00 . A A . 8 DBU C 1 1
10 1796 1 1 9 DBU CA C -3.119 5.582 -2.915 1.00 . A A . 8 DBU CA 1 1
10 1797 1 1 9 DBU CB C -2.880 6.294 -4.004 1.00 . A A . 8 DBU CB 1 1
10 1798 1 1 9 DBU CG C -2.468 5.640 -5.330 1.00 . A A . 8 DBU CG 1 1
10 1799 1 1 9 DBU HG1 H -1.715 4.884 -5.137 1.00 . A A . 8 DBU HG1 1 1
10 1800 1 1 9 DBU HG2 H -2.064 6.390 -5.993 1.00 . A A . 8 DBU HG2 1 1
10 1801 1 1 9 DBU HG3 H -3.329 5.178 -5.788 1.00 . A A . 8 DBU HG3 1 1
10 1802 1 1 9 DBU N N -3.019 4.126 -2.867 1.00 . A A . 8 DBU N 1 1
10 1803 1 1 10 CYS C C -4.687 5.684 1.652 1.00 . A A . 9 CYS C 1 1
10 1804 1 1 10 CYS CA C -3.918 6.449 0.601 1.00 . A A . 9 CYS CA 1 1
10 1805 1 1 10 CYS CB C -4.767 7.575 0.018 1.00 . A A . 9 CYS CB 1 1
10 1806 1 1 10 CYS HA H -3.038 6.887 1.056 1.00 . A A . 9 CYS HA 1 1
10 1807 1 1 10 CYS HB2 H -5.800 7.256 -0.075 1.00 . A A . 9 CYS HB2 1 1
10 1808 1 1 10 CYS HB3 H -4.691 8.464 0.619 1.00 . A A . 9 CYS HB3 1 1
10 1809 1 1 10 CYS N N -3.488 5.597 -0.508 1.00 . A A . 9 CYS N 1 1
10 1810 1 1 10 CYS O O -5.441 6.302 2.403 1.00 . A A . 9 CYS O 1 1
10 1811 1 1 10 CYS SG S -4.029 7.881 -1.595 1.00 . A A . 9 CYS SG 1 1
10 1812 1 1 11 . C C -4.039 2.976 3.656 1.00 . A A . 10 TS9 C 1 1
10 1813 1 1 11 . CA C -5.123 3.539 2.735 1.00 . A A . 10 TS9 CA 1 1
10 1814 1 1 11 . CB C -5.972 2.391 2.085 1.00 . A A . 10 TS9 CB 1 1
10 1815 1 1 11 . CD1 C -7.799 2.088 0.240 1.00 . A A . 10 TS9 CD1 1 1
10 1816 1 1 11 . CG1 C -6.963 3.055 1.067 1.00 . A A . 10 TS9 CG1 1 1
10 1817 1 1 11 . CG2 C -6.723 1.628 3.131 1.00 . A A . 10 TS9 CG2 1 1
10 1818 1 1 11 . H H -3.930 3.939 1.037 1.00 . A A . 10 TS9 H 1 1
10 1819 1 1 11 . HA H -5.779 4.173 3.314 1.00 . A A . 10 TS9 HA 1 1
10 1820 1 1 11 . HD11 H -7.148 1.388 -0.263 1.00 . A A . 10 TS9 HD11 1 1
10 1821 1 1 11 . HD12 H -8.367 2.640 -0.494 1.00 . A A . 10 TS9 HD12 1 1
10 1822 1 1 11 . HD13 H -8.476 1.550 0.888 1.00 . A A . 10 TS9 HD13 1 1
10 1823 1 1 11 . HD2 H -8.324 4.471 1.262 1.00 . A A . 10 TS9 HD2 1 1
10 1824 1 1 11 . HG1 H -6.406 3.680 0.387 1.00 . A A . 10 TS9 HG1 1 1
10 1825 1 1 11 . HG21 H -7.342 0.880 2.658 1.00 . A A . 10 TS9 HG21 1 1
10 1826 1 1 11 . HG22 H -7.347 2.307 3.695 1.00 . A A . 10 TS9 HG22 1 1
10 1827 1 1 11 . HG23 H -6.025 1.145 3.799 1.00 . A A . 10 TS9 HG23 1 1
10 1828 1 1 11 . HG3 H -5.111 1.740 0.452 1.00 . A A . 10 TS9 HG3 1 1
10 1829 1 1 11 . N N -4.501 4.366 1.708 1.00 . A A . 10 TS9 N 1 1
10 1830 1 1 11 . OD2 O -7.835 3.886 1.845 1.00 . A A . 10 TS9 OD2 1 1
10 1831 1 1 11 . OG3 O -5.108 1.515 1.385 1.00 . A A . 10 TS9 OG3 1 1
10 1832 1 1 12 . C C -0.835 1.472 4.156 1.00 . A A . 11 BB9 C 1 1
10 1833 1 1 12 . CA C -2.151 2.065 4.303 1.00 . A A . 11 BB9 CA 1 1
10 1834 1 1 12 . CB C -2.760 2.257 5.583 1.00 . A A . 11 BB9 CB 1 1
10 1835 1 1 12 . HB H -2.323 1.991 6.534 1.00 . A A . 11 BB9 HB 1 1
10 1836 1 1 12 . N N -2.908 2.483 3.261 1.00 . A A . 11 BB9 N 1 1
10 1837 1 1 12 . O O -0.134 1.101 5.097 1.00 . A A . 11 BB9 O 1 1
10 1838 1 1 12 . SG S -4.272 2.966 5.360 1.00 . A A . 11 BB9 SG 1 1
10 1839 1 1 13 THR C C 1.462 1.541 1.347 1.00 . A A . 12 THR C 1 1
10 1840 1 1 13 THR CA C 0.856 0.791 2.532 1.00 . A A . 12 THR CA 1 1
10 1841 1 1 13 THR CB C 0.760 -0.720 2.230 1.00 . A A . 12 THR CB 1 1
10 1842 1 1 13 THR CG2 C 0.517 -1.525 3.494 1.00 . A A . 12 THR CG2 1 1
10 1843 1 1 13 THR H H -1.051 1.652 2.171 1.00 . A A . 12 THR H 1 1
10 1844 1 1 13 THR HA H 1.504 0.912 3.388 1.00 . A A . 12 THR HA 1 1
10 1845 1 1 13 THR HB H 1.682 -1.055 1.774 1.00 . A A . 12 THR HB 1 1
10 1846 1 1 13 THR HG21 H -0.449 -1.269 3.903 1.00 . A A . 12 THR HG21 1 1
10 1847 1 1 13 THR HG22 H 1.285 -1.299 4.217 1.00 . A A . 12 THR HG22 1 1
10 1848 1 1 13 THR HG23 H 0.541 -2.578 3.259 1.00 . A A . 12 THR HG23 1 1
10 1849 1 1 13 THR N N -0.448 1.354 2.885 1.00 . A A . 12 THR N 1 1
10 1850 1 1 13 THR OG1 O -0.390 -0.998 1.333 1.00 . A A . 12 THR OG1 1 1
10 1851 1 1 14 . C C 4.168 1.936 -0.994 1.00 . A A . 13 BB9 C 1 1
10 1852 1 1 14 . CA C 2.880 2.098 -0.231 1.00 . A A . 13 BB9 CA 1 1
10 1853 1 1 14 . CB C 1.868 3.078 -0.479 1.00 . A A . 13 BB9 CB 1 1
10 1854 1 1 14 . HB H 1.896 3.829 -1.253 1.00 . A A . 13 BB9 HB 1 1
10 1855 1 1 14 . N N 2.604 1.267 0.799 1.00 . A A . 13 BB9 N 1 1
10 1856 1 1 14 . SG S 0.625 2.861 0.634 1.00 . A A . 13 BB9 SG 1 1
10 1857 1 1 15 . C C 7.346 1.611 0.921 1.00 . A A . 14 MH6 C 1 1
10 1858 1 1 15 . CA C 6.354 1.469 -0.168 1.00 . A A . 14 MH6 CA 1 1
10 1859 1 1 15 . CB C 6.780 0.705 -1.354 1.00 . A A . 14 MH6 CB 1 1
10 1860 1 1 15 . HB2 H 6.993 -0.310 -1.060 1.00 . A A . 14 MH6 HB2 1 1
10 1861 1 1 15 . HB3 H 7.678 1.147 -1.764 1.00 . A A . 14 MH6 HB3 1 1
10 1862 1 1 15 . N N 5.213 2.031 0.038 1.00 . A A . 14 MH6 N 1 1
10 1863 1 1 16 . C C 10.584 0.891 2.224 1.00 . A A . 15 BB9 C 1 1
10 1864 1 1 16 . CA C 9.231 1.362 2.003 1.00 . A A . 15 BB9 CA 1 1
10 1865 1 1 16 . CB C 8.527 2.163 2.959 1.00 . A A . 15 BB9 CB 1 1
10 1866 1 1 16 . HB H 8.914 2.493 3.912 1.00 . A A . 15 BB9 HB 1 1
10 1867 1 1 16 . N N 8.525 1.085 0.884 1.00 . A A . 15 BB9 N 1 1
10 1868 1 1 16 . O O 11.247 1.131 3.232 1.00 . A A . 15 BB9 O 1 1
10 1869 1 1 16 . SG S 6.994 2.505 2.347 1.00 . A A . 15 BB9 SG 1 1
10 1870 1 1 17 DHA C C 12.611 -1.088 -0.191 1.00 . A A . 16 DHA C 1 1
10 1871 1 1 17 DHA CA C 12.353 -0.504 1.117 1.00 . A A . 16 DHA CA 1 1
10 1872 1 1 17 DHA CB C 13.241 -0.595 2.096 1.00 . A A . 16 DHA CB 1 1
10 1873 1 1 17 DHA H H 10.448 0.085 0.424 1.00 . A A . 16 DHA H 1 1
10 1874 1 1 17 DHA HB1 H 14.175 -1.110 1.930 1.00 . A A . 16 DHA HB1 1 1
10 1875 1 1 17 DHA HB2 H 13.035 -0.156 3.059 1.00 . A A . 16 DHA HB2 1 1
10 1876 1 1 17 DHA N N 11.042 0.167 1.198 1.00 . A A . 16 DHA N 1 1
10 1877 1 1 17 DHA O O 11.740 -0.962 -1.051 1.00 . A A . 16 DHA O 1 1
10 1878 1 1 18 NH2 HN1 H 13.924 -2.121 -1.293 1.00 . A A . 17 NH2 HN1 1 1
10 1879 1 1 18 NH2 HN2 H 14.414 -1.799 0.311 1.00 . A A . 17 NH2 HN2 1 1
10 1880 1 1 18 NH2 N N 13.756 -1.728 -0.411 1.00 . A A . 17 NH2 N 1 1
11 1881 1 1 1 QUA C10 C -3.769 -2.419 -2.007 1.00 . A A . 0 QUA C10 1 1
11 1882 1 1 1 QUA C11 C -0.213 -1.352 0.049 1.00 . A A . 0 QUA C11 1 1
11 1883 1 1 1 QUA C13 C -2.484 -2.743 -4.181 1.00 . A A . 0 QUA C13 1 1
11 1884 1 1 1 QUA C14 C -2.517 -4.259 -4.346 1.00 . A A . 0 QUA C14 1 1
11 1885 1 1 1 QUA C2 C -1.484 -1.726 -0.652 1.00 . A A . 0 QUA C2 1 1
11 1886 1 1 1 QUA C3 C -1.393 -2.036 -2.005 1.00 . A A . 0 QUA C3 1 1
11 1887 1 1 1 QUA C4 C -2.553 -2.388 -2.698 1.00 . A A . 0 QUA C4 1 1
11 1888 1 1 1 QUA C5 C -5.046 -2.768 -2.658 1.00 . A A . 0 QUA C5 1 1
11 1889 1 1 1 QUA C6 C -6.075 -3.132 -1.968 1.00 . A A . 0 QUA C6 1 1
11 1890 1 1 1 QUA C7 C -6.014 -3.233 -0.446 1.00 . A A . 0 QUA C7 1 1
11 1891 1 1 1 QUA C8 C -5.072 -2.140 0.131 1.00 . A A . 0 QUA C8 1 1
11 1892 1 1 1 QUA C9 C -3.767 -2.097 -0.658 1.00 . A A . 0 QUA C9 1 1
11 1893 1 1 1 QUA H13 H -3.336 -2.327 -4.693 1.00 . A A . 0 QUA H13 1 1
11 1894 1 1 1 QUA H141 H -1.561 -4.674 -4.062 1.00 . A A . 0 QUA H141 1 1
11 1895 1 1 1 QUA H142 H -2.725 -4.504 -5.377 1.00 . A A . 0 QUA H142 1 1
11 1896 1 1 1 QUA H143 H -3.292 -4.676 -3.713 1.00 . A A . 0 QUA H143 1 1
11 1897 1 1 1 QUA H15 H -0.647 -2.931 -4.875 1.00 . A A . 0 QUA H15 1 1
11 1898 1 1 1 QUA H16 H -6.328 -0.793 0.839 1.00 . A A . 0 QUA H16 1 1
11 1899 1 1 1 QUA HC3 H -0.441 -2.002 -2.512 1.00 . A A . 0 QUA HC3 1 1
11 1900 1 1 1 QUA HC5 H -5.132 -2.711 -3.730 1.00 . A A . 0 QUA HC5 1 1
11 1901 1 1 1 QUA HC6 H -6.992 -3.375 -2.482 1.00 . A A . 0 QUA HC6 1 1
11 1902 1 1 1 QUA HC71 H -6.999 -3.125 -0.025 1.00 . A A . 0 QUA HC71 1 1
11 1903 1 1 1 QUA HC8 H -4.861 -2.384 1.161 1.00 . A A . 0 QUA HC8 1 1
11 1904 1 1 1 QUA N1 N -2.654 -1.751 0.048 1.00 . A A . 0 QUA N1 1 1
11 1905 1 1 1 QUA O12 O 0.883 -1.329 -0.512 1.00 . A A . 0 QUA O12 1 1
11 1906 1 1 1 QUA O15 O -1.289 -2.226 -4.780 1.00 . A A . 0 QUA O15 1 1
11 1907 1 1 1 QUA O16 O -5.734 -0.870 0.088 1.00 . A A . 0 QUA O16 1 1
11 1908 1 1 2 ILE C C -4.410 -5.087 2.005 1.00 . A A . 1 ILE C 1 1
11 1909 1 1 2 ILE CA C -5.721 -5.068 1.226 1.00 . A A . 1 ILE CA 1 1
11 1910 1 1 2 ILE CB C -6.355 -6.481 1.255 1.00 . A A . 1 ILE CB 1 1
11 1911 1 1 2 ILE CD1 C -5.247 -7.250 -0.959 1.00 . A A . 1 ILE CD1 1 1
11 1912 1 1 2 ILE CG1 C -5.482 -7.525 0.520 1.00 . A A . 1 ILE CG1 1 1
11 1913 1 1 2 ILE CG2 C -7.759 -6.442 0.669 1.00 . A A . 1 ILE CG2 1 1
11 1914 1 1 2 ILE H H -4.542 -4.637 -0.371 1.00 . A A . 1 ILE H 1 1
11 1915 1 1 2 ILE HA H -6.402 -4.378 1.704 1.00 . A A . 1 ILE HA 1 1
11 1916 1 1 2 ILE HB H -6.446 -6.776 2.292 1.00 . A A . 1 ILE HB 1 1
11 1917 1 1 2 ILE HD11 H -4.495 -6.478 -1.073 1.00 . A A . 1 ILE HD11 1 1
11 1918 1 1 2 ILE HD12 H -6.166 -6.925 -1.420 1.00 . A A . 1 ILE HD12 1 1
11 1919 1 1 2 ILE HD13 H -4.905 -8.153 -1.440 1.00 . A A . 1 ILE HD13 1 1
11 1920 1 1 2 ILE HG12 H -4.516 -7.574 0.997 1.00 . A A . 1 ILE HG12 1 1
11 1921 1 1 2 ILE HG13 H -5.960 -8.490 0.601 1.00 . A A . 1 ILE HG13 1 1
11 1922 1 1 2 ILE HG21 H -7.734 -5.960 -0.297 1.00 . A A . 1 ILE HG21 1 1
11 1923 1 1 2 ILE HG22 H -8.410 -5.889 1.330 1.00 . A A . 1 ILE HG22 1 1
11 1924 1 1 2 ILE HG23 H -8.131 -7.450 0.559 1.00 . A A . 1 ILE HG23 1 1
11 1925 1 1 2 ILE N N -5.500 -4.604 -0.168 1.00 . A A . 1 ILE N 1 1
11 1926 1 1 2 ILE O O -4.372 -4.752 3.190 1.00 . A A . 1 ILE O 1 1
11 1927 1 1 3 ALA C C -0.941 -5.743 0.864 1.00 . A A . 2 ALA C 1 1
11 1928 1 1 3 ALA CA C -2.012 -5.533 1.929 1.00 . A A . 2 ALA CA 1 1
11 1929 1 1 3 ALA CB C -1.941 -6.644 2.969 1.00 . A A . 2 ALA CB 1 1
11 1930 1 1 3 ALA H H -3.441 -5.742 0.385 1.00 . A A . 2 ALA H 1 1
11 1931 1 1 3 ALA HA H -1.833 -4.591 2.427 1.00 . A A . 2 ALA HA 1 1
11 1932 1 1 3 ALA HB1 H -2.169 -7.591 2.503 1.00 . A A . 2 ALA HB1 1 1
11 1933 1 1 3 ALA HB2 H -2.656 -6.449 3.755 1.00 . A A . 2 ALA HB2 1 1
11 1934 1 1 3 ALA HB3 H -0.947 -6.680 3.390 1.00 . A A . 2 ALA HB3 1 1
11 1935 1 1 3 ALA N N -3.337 -5.481 1.324 1.00 . A A . 2 ALA N 1 1
11 1936 1 1 3 ALA O O -0.969 -6.732 0.135 1.00 . A A . 2 ALA O 1 1
11 1937 1 1 4 DHA C C 2.171 -3.878 0.290 1.00 . A A . 3 DHA C 1 1
11 1938 1 1 4 DHA CA C 1.129 -4.778 -0.144 1.00 . A A . 3 DHA CA 1 1
11 1939 1 1 4 DHA CB C 1.239 -5.485 -1.258 1.00 . A A . 3 DHA CB 1 1
11 1940 1 1 4 DHA H H -0.049 -4.069 1.438 1.00 . A A . 3 DHA H 1 1
11 1941 1 1 4 DHA HB1 H 0.450 -6.158 -1.552 1.00 . A A . 3 DHA HB1 1 1
11 1942 1 1 4 DHA HB2 H 2.124 -5.395 -1.869 1.00 . A A . 3 DHA HB2 1 1
11 1943 1 1 4 DHA N N 0.003 -4.804 0.792 1.00 . A A . 3 DHA N 1 1
11 1944 1 1 4 DHA O O 1.988 -3.287 1.350 1.00 . A A . 3 DHA O 1 1
11 1945 1 1 5 ALA C C 4.526 -1.735 -1.139 1.00 . A A . 4 ALA C 1 1
11 1946 1 1 5 ALA CA C 4.297 -2.781 -0.060 1.00 . A A . 4 ALA CA 1 1
11 1947 1 1 5 ALA CB C 5.567 -3.553 0.235 1.00 . A A . 4 ALA CB 1 1
11 1948 1 1 5 ALA H H 3.341 -4.207 -1.291 1.00 . A A . 4 ALA H 1 1
11 1949 1 1 5 ALA HA H 3.986 -2.284 0.847 1.00 . A A . 4 ALA HA 1 1
11 1950 1 1 5 ALA HB1 H 5.353 -4.313 0.974 1.00 . A A . 4 ALA HB1 1 1
11 1951 1 1 5 ALA HB2 H 6.319 -2.879 0.615 1.00 . A A . 4 ALA HB2 1 1
11 1952 1 1 5 ALA HB3 H 5.922 -4.020 -0.670 1.00 . A A . 4 ALA HB3 1 1
11 1953 1 1 5 ALA N N 3.248 -3.704 -0.456 1.00 . A A . 4 ALA N 1 1
11 1954 1 1 5 ALA O O 4.926 -2.064 -2.256 1.00 . A A . 4 ALA O 1 1
11 1955 1 1 6 SER C C 3.261 0.464 -2.817 1.00 . A A . 5 SER C 1 1
11 1956 1 1 6 SER CA C 4.310 0.633 -1.817 1.00 . A A . 5 SER CA 1 1
11 1957 1 1 6 SER CB C 5.729 0.745 -2.447 1.00 . A A . 5 SER CB 1 1
11 1958 1 1 6 SER H H 4.038 -0.264 0.134 1.00 . A A . 5 SER H 1 1
11 1959 1 1 6 SER HB2 H 5.931 -0.125 -3.053 1.00 . A A . 5 SER HB2 1 1
11 1960 1 1 6 SER HB3 H 5.781 1.631 -3.063 1.00 . A A . 5 SER HB3 1 1
11 1961 1 1 6 SER N N 4.263 -0.470 -0.797 1.00 . A A . 5 SER N 1 1
11 1962 1 1 7 . C C -0.116 0.802 -3.926 1.00 . A A . 6 BB9 C 1 1
11 1963 1 1 7 . CA C 1.298 0.513 -3.805 1.00 . A A . 6 BB9 CA 1 1
11 1964 1 1 7 . CB C 2.049 -0.102 -4.851 1.00 . A A . 6 BB9 CB 1 1
11 1965 1 1 7 . HB H 1.661 -0.412 -5.810 1.00 . A A . 6 BB9 HB 1 1
11 1966 1 1 7 . N N 2.018 0.805 -2.702 1.00 . A A . 6 BB9 N 1 1
11 1967 1 1 7 . O O -0.792 0.573 -4.930 1.00 . A A . 6 BB9 O 1 1
11 1968 1 1 7 . SG S 3.642 -0.263 -4.335 1.00 . A A . 6 BB9 SG 1 1
11 1969 1 1 8 THR C C -1.813 3.453 -2.589 1.00 . A A . 7 THR C 1 1
11 1970 1 1 8 THR CA C -1.945 1.953 -2.803 1.00 . A A . 7 THR CA 1 1
11 1971 1 1 8 THR CB C -2.865 1.356 -1.717 1.00 . A A . 7 THR CB 1 1
11 1972 1 1 8 THR CG2 C -2.258 1.509 -0.330 1.00 . A A . 7 THR CG2 1 1
11 1973 1 1 8 THR H H -0.108 1.296 -1.984 1.00 . A A . 7 THR H 1 1
11 1974 1 1 8 THR HA H -2.403 1.780 -3.767 1.00 . A A . 7 THR HA 1 1
11 1975 1 1 8 THR HB H -2.998 0.306 -1.921 1.00 . A A . 7 THR HB 1 1
11 1976 1 1 8 THR HG1 H -4.424 2.105 -2.665 1.00 . A A . 7 THR HG1 1 1
11 1977 1 1 8 THR HG21 H -2.832 0.931 0.379 1.00 . A A . 7 THR HG21 1 1
11 1978 1 1 8 THR HG22 H -2.273 2.549 -0.041 1.00 . A A . 7 THR HG22 1 1
11 1979 1 1 8 THR HG23 H -1.240 1.153 -0.342 1.00 . A A . 7 THR HG23 1 1
11 1980 1 1 8 THR N N -0.627 1.330 -2.815 1.00 . A A . 7 THR N 1 1
11 1981 1 1 8 THR O O -0.772 3.937 -2.143 1.00 . A A . 7 THR O 1 1
11 1982 1 1 8 THR OG1 O -4.144 2.000 -1.753 1.00 . A A . 7 THR OG1 1 1
11 1983 1 1 9 DBU C C -3.343 6.253 -1.616 1.00 . A A . 8 DBU C 1 1
11 1984 1 1 9 DBU CA C -2.911 5.646 -2.892 1.00 . A A . 8 DBU CA 1 1
11 1985 1 1 9 DBU CB C -2.583 6.399 -3.929 1.00 . A A . 8 DBU CB 1 1
11 1986 1 1 9 DBU CG C -2.121 5.797 -5.264 1.00 . A A . 8 DBU CG 1 1
11 1987 1 1 9 DBU HG1 H -2.974 5.407 -5.799 1.00 . A A . 8 DBU HG1 1 1
11 1988 1 1 9 DBU HG2 H -1.421 4.992 -5.069 1.00 . A A . 8 DBU HG2 1 1
11 1989 1 1 9 DBU HG3 H -1.637 6.559 -5.856 1.00 . A A . 8 DBU HG3 1 1
11 1990 1 1 9 DBU N N -2.868 4.185 -2.907 1.00 . A A . 8 DBU N 1 1
11 1991 1 1 10 CYS C C -4.694 5.618 1.606 1.00 . A A . 9 CYS C 1 1
11 1992 1 1 10 CYS CA C -3.866 6.400 0.611 1.00 . A A . 9 CYS CA 1 1
11 1993 1 1 10 CYS CB C -4.668 7.557 0.026 1.00 . A A . 9 CYS CB 1 1
11 1994 1 1 10 CYS HA H -3.000 6.808 1.117 1.00 . A A . 9 CYS HA 1 1
11 1995 1 1 10 CYS HB2 H -5.698 7.255 -0.141 1.00 . A A . 9 CYS HB2 1 1
11 1996 1 1 10 CYS HB3 H -4.619 8.420 0.665 1.00 . A A . 9 CYS HB3 1 1
11 1997 1 1 10 CYS N N -3.401 5.576 -0.506 1.00 . A A . 9 CYS N 1 1
11 1998 1 1 10 CYS O O -5.504 6.225 2.307 1.00 . A A . 9 CYS O 1 1
11 1999 1 1 10 CYS SG S -3.831 7.913 -1.526 1.00 . A A . 9 CYS SG 1 1
11 2000 1 1 11 . C C -4.102 2.876 3.597 1.00 . A A . 10 TS9 C 1 1
11 2001 1 1 11 . CA C -5.157 3.468 2.663 1.00 . A A . 10 TS9 CA 1 1
11 2002 1 1 11 . CB C -5.997 2.337 1.975 1.00 . A A . 10 TS9 CB 1 1
11 2003 1 1 11 . CD1 C -7.713 2.047 0.027 1.00 . A A . 10 TS9 CD1 1 1
11 2004 1 1 11 . CG1 C -6.877 3.007 0.864 1.00 . A A . 10 TS9 CG1 1 1
11 2005 1 1 11 . CG2 C -6.856 1.634 2.978 1.00 . A A . 10 TS9 CG2 1 1
11 2006 1 1 11 . H H -3.892 3.884 1.021 1.00 . A A . 10 TS9 H 1 1
11 2007 1 1 11 . HA H -5.819 4.099 3.236 1.00 . A A . 10 TS9 HA 1 1
11 2008 1 1 11 . HD11 H -7.073 1.286 -0.394 1.00 . A A . 10 TS9 HD11 1 1
11 2009 1 1 11 . HD12 H -8.194 2.593 -0.772 1.00 . A A . 10 TS9 HD12 1 1
11 2010 1 1 11 . HD13 H -8.463 1.584 0.650 1.00 . A A . 10 TS9 HD13 1 1
11 2011 1 1 11 . HD2 H -8.624 3.882 1.148 1.00 . A A . 10 TS9 HD2 1 1
11 2012 1 1 11 . HG1 H -6.242 3.565 0.195 1.00 . A A . 10 TS9 HG1 1 1
11 2013 1 1 11 . HG21 H -7.425 0.858 2.485 1.00 . A A . 10 TS9 HG21 1 1
11 2014 1 1 11 . HG22 H -7.532 2.342 3.433 1.00 . A A . 10 TS9 HG22 1 1
11 2015 1 1 11 . HG23 H -6.233 1.190 3.741 1.00 . A A . 10 TS9 HG23 1 1
11 2016 1 1 11 . HG3 H -4.221 1.755 1.394 1.00 . A A . 10 TS9 HG3 1 1
11 2017 1 1 11 . N N -4.497 4.303 1.666 1.00 . A A . 10 TS9 N 1 1
11 2018 1 1 11 . OD2 O -7.748 3.922 1.540 1.00 . A A . 10 TS9 OD2 1 1
11 2019 1 1 11 . OG3 O -5.115 1.409 1.368 1.00 . A A . 10 TS9 OG3 1 1
11 2020 1 1 12 . C C -0.905 1.374 4.126 1.00 . A A . 11 BB9 C 1 1
11 2021 1 1 12 . CA C -2.230 1.952 4.264 1.00 . A A . 11 BB9 CA 1 1
11 2022 1 1 12 . CB C -2.878 2.086 5.532 1.00 . A A . 11 BB9 CB 1 1
11 2023 1 1 12 . HB H -2.469 1.784 6.484 1.00 . A A . 11 BB9 HB 1 1
11 2024 1 1 12 . N N -2.955 2.408 3.220 1.00 . A A . 11 BB9 N 1 1
11 2025 1 1 12 . O O -0.223 0.969 5.068 1.00 . A A . 11 BB9 O 1 1
11 2026 1 1 12 . SG S -4.387 2.795 5.290 1.00 . A A . 11 BB9 SG 1 1
11 2027 1 1 13 THR C C 1.425 1.524 1.334 1.00 . A A . 12 THR C 1 1
11 2028 1 1 13 THR CA C 0.819 0.760 2.510 1.00 . A A . 12 THR CA 1 1
11 2029 1 1 13 THR CB C 0.736 -0.748 2.195 1.00 . A A . 12 THR CB 1 1
11 2030 1 1 13 THR CG2 C 0.534 -1.566 3.459 1.00 . A A . 12 THR CG2 1 1
11 2031 1 1 13 THR H H -1.081 1.635 2.148 1.00 . A A . 12 THR H 1 1
11 2032 1 1 13 THR HA H 1.461 0.879 3.370 1.00 . A A . 12 THR HA 1 1
11 2033 1 1 13 THR HB H 1.650 -1.066 1.714 1.00 . A A . 12 THR HB 1 1
11 2034 1 1 13 THR HG21 H 1.294 -1.305 4.181 1.00 . A A . 12 THR HG21 1 1
11 2035 1 1 13 THR HG22 H 0.609 -2.617 3.221 1.00 . A A . 12 THR HG22 1 1
11 2036 1 1 13 THR HG23 H -0.442 -1.358 3.870 1.00 . A A . 12 THR HG23 1 1
11 2037 1 1 13 THR N N -0.492 1.308 2.860 1.00 . A A . 12 THR N 1 1
11 2038 1 1 13 THR OG1 O -0.433 -1.033 1.324 1.00 . A A . 12 THR OG1 1 1
11 2039 1 1 14 . C C 4.138 1.965 -1.000 1.00 . A A . 13 BB9 C 1 1
11 2040 1 1 14 . CA C 2.846 2.107 -0.236 1.00 . A A . 13 BB9 CA 1 1
11 2041 1 1 14 . CB C 1.827 3.083 -0.475 1.00 . A A . 13 BB9 CB 1 1
11 2042 1 1 14 . HB H 1.852 3.844 -1.240 1.00 . A A . 13 BB9 HB 1 1
11 2043 1 1 14 . N N 2.571 1.261 0.785 1.00 . A A . 13 BB9 N 1 1
11 2044 1 1 14 . SG S 0.582 2.847 0.633 1.00 . A A . 13 BB9 SG 1 1
11 2045 1 1 15 . C C 7.333 1.805 0.903 1.00 . A A . 14 MH6 C 1 1
11 2046 1 1 15 . CA C 6.345 1.602 -0.180 1.00 . A A . 14 MH6 CA 1 1
11 2047 1 1 15 . CB C 6.796 0.838 -1.356 1.00 . A A . 14 MH6 CB 1 1
11 2048 1 1 15 . HB2 H 7.056 -0.162 -1.046 1.00 . A A . 14 MH6 HB2 1 1
11 2049 1 1 15 . HB3 H 7.672 1.311 -1.778 1.00 . A A . 14 MH6 HB3 1 1
11 2050 1 1 15 . N N 5.182 2.116 0.024 1.00 . A A . 14 MH6 N 1 1
11 2051 1 1 16 . C C 10.626 1.328 2.183 1.00 . A A . 15 BB9 C 1 1
11 2052 1 1 16 . CA C 9.239 1.692 1.971 1.00 . A A . 15 BB9 CA 1 1
11 2053 1 1 16 . CB C 8.484 2.432 2.937 1.00 . A A . 15 BB9 CB 1 1
11 2054 1 1 16 . HB H 8.850 2.783 3.890 1.00 . A A . 15 BB9 HB 1 1
11 2055 1 1 16 . N N 8.548 1.369 0.854 1.00 . A A . 15 BB9 N 1 1
11 2056 1 1 16 . O O 11.271 1.612 3.192 1.00 . A A . 15 BB9 O 1 1
11 2057 1 1 16 . SG S 6.924 2.660 2.338 1.00 . A A . 15 BB9 SG 1 1
11 2058 1 1 17 DHA C C 12.762 -0.556 -0.218 1.00 . A A . 16 DHA C 1 1
11 2059 1 1 17 DHA CA C 12.520 0.147 1.032 1.00 . A A . 16 DHA CA 1 1
11 2060 1 1 17 DHA CB C 13.484 0.293 1.931 1.00 . A A . 16 DHA CB 1 1
11 2061 1 1 17 DHA H H 10.527 0.460 0.410 1.00 . A A . 16 DHA H 1 1
11 2062 1 1 17 DHA HB1 H 14.466 -0.113 1.740 1.00 . A A . 16 DHA HB1 1 1
11 2063 1 1 17 DHA HB2 H 13.291 0.817 2.853 1.00 . A A . 16 DHA HB2 1 1
11 2064 1 1 17 DHA N N 11.136 0.646 1.154 1.00 . A A . 16 DHA N 1 1
11 2065 1 1 17 DHA O O 11.821 -0.654 -1.007 1.00 . A A . 16 DHA O 1 1
11 2066 1 1 18 NH2 HN1 H 14.123 -1.535 -1.310 1.00 . A A . 17 NH2 HN1 1 1
11 2067 1 1 18 NH2 HN2 H 14.678 -0.956 0.196 1.00 . A A . 17 NH2 HN2 1 1
11 2068 1 1 18 NH2 N N 13.965 -1.063 -0.467 1.00 . A A . 17 NH2 N 1 1
12 2069 1 1 1 QUA C10 C -3.639 -2.417 -2.082 1.00 . A A . 0 QUA C10 1 1
12 2070 1 1 1 QUA C11 C -0.141 -1.348 0.068 1.00 . A A . 0 QUA C11 1 1
12 2071 1 1 1 QUA C13 C -2.281 -2.829 -4.195 1.00 . A A . 0 QUA C13 1 1
12 2072 1 1 1 QUA C14 C -2.339 -4.350 -4.314 1.00 . A A . 0 QUA C14 1 1
12 2073 1 1 1 QUA C2 C -1.392 -1.721 -0.668 1.00 . A A . 0 QUA C2 1 1
12 2074 1 1 1 QUA C3 C -1.258 -2.074 -2.005 1.00 . A A . 0 QUA C3 1 1
12 2075 1 1 1 QUA C4 C -2.398 -2.428 -2.729 1.00 . A A . 0 QUA C4 1 1
12 2076 1 1 1 QUA C5 C -4.898 -2.762 -2.769 1.00 . A A . 0 QUA C5 1 1
12 2077 1 1 1 QUA C6 C -5.958 -3.088 -2.106 1.00 . A A . 0 QUA C6 1 1
12 2078 1 1 1 QUA C7 C -5.950 -3.145 -0.581 1.00 . A A . 0 QUA C7 1 1
12 2079 1 1 1 QUA C8 C -5.011 -2.051 -0.003 1.00 . A A . 0 QUA C8 1 1
12 2080 1 1 1 QUA C9 C -3.678 -2.055 -0.744 1.00 . A A . 0 QUA C9 1 1
12 2081 1 1 1 QUA H13 H -3.105 -2.413 -4.753 1.00 . A A . 0 QUA H13 1 1
12 2082 1 1 1 QUA H141 H -1.399 -4.772 -3.995 1.00 . A A . 0 QUA H141 1 1
12 2083 1 1 1 QUA H142 H -2.527 -4.625 -5.342 1.00 . A A . 0 QUA H142 1 1
12 2084 1 1 1 QUA H143 H -3.136 -4.733 -3.687 1.00 . A A . 0 QUA H143 1 1
12 2085 1 1 1 QUA H15 H -1.179 -1.461 -5.095 1.00 . A A . 0 QUA H15 1 1
12 2086 1 1 1 QUA H16 H -6.595 -0.874 0.005 1.00 . A A . 0 QUA H16 1 1
12 2087 1 1 1 QUA HC3 H -0.287 -2.072 -2.478 1.00 . A A . 0 QUA HC3 1 1
12 2088 1 1 1 QUA HC5 H -4.945 -2.736 -3.844 1.00 . A A . 0 QUA HC5 1 1
12 2089 1 1 1 QUA HC6 H -6.860 -3.329 -2.644 1.00 . A A . 0 QUA HC6 1 1
12 2090 1 1 1 QUA HC71 H -6.948 -3.011 -0.196 1.00 . A A . 0 QUA HC71 1 1
12 2091 1 1 1 QUA HC8 H -4.841 -2.266 1.042 1.00 . A A . 0 QUA HC8 1 1
12 2092 1 1 1 QUA N1 N -2.586 -1.706 -0.010 1.00 . A A . 0 QUA N1 1 1
12 2093 1 1 1 QUA O12 O 0.972 -1.348 -0.456 1.00 . A A . 0 QUA O12 1 1
12 2094 1 1 1 QUA O15 O -1.055 -2.354 -4.767 1.00 . A A . 0 QUA O15 1 1
12 2095 1 1 1 QUA O16 O -5.648 -0.771 -0.107 1.00 . A A . 0 QUA O16 1 1
12 2096 1 1 2 ILE C C -4.424 -4.976 1.953 1.00 . A A . 1 ILE C 1 1
12 2097 1 1 2 ILE CA C -5.722 -4.931 1.153 1.00 . A A . 1 ILE CA 1 1
12 2098 1 1 2 ILE CB C -6.410 -6.318 1.211 1.00 . A A . 1 ILE CB 1 1
12 2099 1 1 2 ILE CD1 C -5.202 -7.195 -0.909 1.00 . A A . 1 ILE CD1 1 1
12 2100 1 1 2 ILE CG1 C -5.544 -7.420 0.557 1.00 . A A . 1 ILE CG1 1 1
12 2101 1 1 2 ILE CG2 C -7.783 -6.253 0.557 1.00 . A A . 1 ILE CG2 1 1
12 2102 1 1 2 ILE H H -4.507 -4.573 -0.434 1.00 . A A . 1 ILE H 1 1
12 2103 1 1 2 ILE HA H -6.384 -4.204 1.603 1.00 . A A . 1 ILE HA 1 1
12 2104 1 1 2 ILE HB H -6.559 -6.566 2.252 1.00 . A A . 1 ILE HB 1 1
12 2105 1 1 2 ILE HD11 H -6.077 -6.851 -1.439 1.00 . A A . 1 ILE HD11 1 1
12 2106 1 1 2 ILE HD12 H -4.864 -8.124 -1.344 1.00 . A A . 1 ILE HD12 1 1
12 2107 1 1 2 ILE HD13 H -4.416 -6.455 -0.993 1.00 . A A . 1 ILE HD13 1 1
12 2108 1 1 2 ILE HG12 H -4.615 -7.504 1.098 1.00 . A A . 1 ILE HG12 1 1
12 2109 1 1 2 ILE HG13 H -6.074 -8.361 0.629 1.00 . A A . 1 ILE HG13 1 1
12 2110 1 1 2 ILE HG21 H -7.689 -5.850 -0.441 1.00 . A A . 1 ILE HG21 1 1
12 2111 1 1 2 ILE HG22 H -8.431 -5.616 1.141 1.00 . A A . 1 ILE HG22 1 1
12 2112 1 1 2 ILE HG23 H -8.205 -7.246 0.507 1.00 . A A . 1 ILE HG23 1 1
12 2113 1 1 2 ILE N N -5.468 -4.515 -0.249 1.00 . A A . 1 ILE N 1 1
12 2114 1 1 2 ILE O O -4.395 -4.629 3.134 1.00 . A A . 1 ILE O 1 1
12 2115 1 1 3 ALA C C -0.957 -5.769 0.886 1.00 . A A . 2 ALA C 1 1
12 2116 1 1 3 ALA CA C -2.042 -5.511 1.926 1.00 . A A . 2 ALA CA 1 1
12 2117 1 1 3 ALA CB C -2.043 -6.621 2.969 1.00 . A A . 2 ALA CB 1 1
12 2118 1 1 3 ALA H H -3.444 -5.657 0.350 1.00 . A A . 2 ALA H 1 1
12 2119 1 1 3 ALA HA H -1.835 -4.576 2.426 1.00 . A A . 2 ALA HA 1 1
12 2120 1 1 3 ALA HB1 H -1.063 -6.695 3.416 1.00 . A A . 2 ALA HB1 1 1
12 2121 1 1 3 ALA HB2 H -2.295 -7.559 2.497 1.00 . A A . 2 ALA HB2 1 1
12 2122 1 1 3 ALA HB3 H -2.772 -6.396 3.734 1.00 . A A . 2 ALA HB3 1 1
12 2123 1 1 3 ALA N N -3.351 -5.405 1.292 1.00 . A A . 2 ALA N 1 1
12 2124 1 1 3 ALA O O -0.984 -6.785 0.190 1.00 . A A . 2 ALA O 1 1
12 2125 1 1 4 DHA C C 2.165 -3.929 0.287 1.00 . A A . 3 DHA C 1 1
12 2126 1 1 4 DHA CA C 1.140 -4.859 -0.122 1.00 . A A . 3 DHA CA 1 1
12 2127 1 1 4 DHA CB C 1.278 -5.621 -1.195 1.00 . A A . 3 DHA CB 1 1
12 2128 1 1 4 DHA H H -0.059 -4.083 1.412 1.00 . A A . 3 DHA H 1 1
12 2129 1 1 4 DHA HB1 H 0.500 -6.316 -1.470 1.00 . A A . 3 DHA HB1 1 1
12 2130 1 1 4 DHA HB2 H 2.174 -5.553 -1.792 1.00 . A A . 3 DHA HB2 1 1
12 2131 1 1 4 DHA N N -0.002 -4.844 0.795 1.00 . A A . 3 DHA N 1 1
12 2132 1 1 4 DHA O O 1.955 -3.287 1.312 1.00 . A A . 3 DHA O 1 1
12 2133 1 1 5 ALA C C 4.481 -1.785 -1.160 1.00 . A A . 4 ALA C 1 1
12 2134 1 1 5 ALA CA C 4.286 -2.830 -0.072 1.00 . A A . 4 ALA CA 1 1
12 2135 1 1 5 ALA CB C 5.573 -3.573 0.216 1.00 . A A . 4 ALA CB 1 1
12 2136 1 1 5 ALA H H 3.364 -4.315 -1.259 1.00 . A A . 4 ALA H 1 1
12 2137 1 1 5 ALA HA H 3.974 -2.333 0.835 1.00 . A A . 4 ALA HA 1 1
12 2138 1 1 5 ALA HB1 H 5.940 -4.024 -0.693 1.00 . A A . 4 ALA HB1 1 1
12 2139 1 1 5 ALA HB2 H 5.377 -4.345 0.947 1.00 . A A . 4 ALA HB2 1 1
12 2140 1 1 5 ALA HB3 H 6.308 -2.885 0.603 1.00 . A A . 4 ALA HB3 1 1
12 2141 1 1 5 ALA N N 3.251 -3.778 -0.446 1.00 . A A . 4 ALA N 1 1
12 2142 1 1 5 ALA O O 4.850 -2.114 -2.288 1.00 . A A . 4 ALA O 1 1
12 2143 1 1 6 SER C C 3.233 0.456 -2.824 1.00 . A A . 5 SER C 1 1
12 2144 1 1 6 SER CA C 4.286 0.592 -1.823 1.00 . A A . 5 SER CA 1 1
12 2145 1 1 6 SER CB C 5.706 0.681 -2.453 1.00 . A A . 5 SER CB 1 1
12 2146 1 1 6 SER H H 3.983 -0.321 0.117 1.00 . A A . 5 SER H 1 1
12 2147 1 1 6 SER HB2 H 5.887 -0.186 -3.071 1.00 . A A . 5 SER HB2 1 1
12 2148 1 1 6 SER HB3 H 5.778 1.574 -3.058 1.00 . A A . 5 SER HB3 1 1
12 2149 1 1 6 SER N N 4.220 -0.521 -0.813 1.00 . A A . 5 SER N 1 1
12 2150 1 1 7 . C C -0.145 0.841 -3.933 1.00 . A A . 6 BB9 C 1 1
12 2151 1 1 7 . CA C 1.269 0.543 -3.812 1.00 . A A . 6 BB9 CA 1 1
12 2152 1 1 7 . CB C 2.018 -0.050 -4.871 1.00 . A A . 6 BB9 CB 1 1
12 2153 1 1 7 . HB H 1.629 -0.334 -5.838 1.00 . A A . 6 BB9 HB 1 1
12 2154 1 1 7 . N N 1.990 0.804 -2.700 1.00 . A A . 6 BB9 N 1 1
12 2155 1 1 7 . O O -0.813 0.643 -4.948 1.00 . A A . 6 BB9 O 1 1
12 2156 1 1 7 . SG S 3.610 -0.235 -4.359 1.00 . A A . 6 BB9 SG 1 1
12 2157 1 1 8 THR C C -1.910 3.443 -2.637 1.00 . A A . 7 THR C 1 1
12 2158 1 1 8 THR CA C -2.000 1.931 -2.793 1.00 . A A . 7 THR CA 1 1
12 2159 1 1 8 THR CB C -2.882 1.349 -1.669 1.00 . A A . 7 THR CB 1 1
12 2160 1 1 8 THR CG2 C -2.246 1.548 -0.300 1.00 . A A . 7 THR CG2 1 1
12 2161 1 1 8 THR H H -0.148 1.306 -1.982 1.00 . A A . 7 THR H 1 1
12 2162 1 1 8 THR HA H -2.474 1.712 -3.740 1.00 . A A . 7 THR HA 1 1
12 2163 1 1 8 THR HB H -2.998 0.291 -1.843 1.00 . A A . 7 THR HB 1 1
12 2164 1 1 8 THR HG1 H -4.304 2.466 -0.881 1.00 . A A . 7 THR HG1 1 1
12 2165 1 1 8 THR HG21 H -2.823 1.019 0.444 1.00 . A A . 7 THR HG21 1 1
12 2166 1 1 8 THR HG22 H -2.229 2.600 -0.059 1.00 . A A . 7 THR HG22 1 1
12 2167 1 1 8 THR HG23 H -1.239 1.165 -0.314 1.00 . A A . 7 THR HG23 1 1
12 2168 1 1 8 THR N N -0.667 1.341 -2.813 1.00 . A A . 7 THR N 1 1
12 2169 1 1 8 THR O O -0.846 3.984 -2.334 1.00 . A A . 7 THR O 1 1
12 2170 1 1 8 THR OG1 O -4.175 1.964 -1.689 1.00 . A A . 7 THR OG1 1 1
12 2171 1 1 9 DBU C C -3.542 6.212 -1.607 1.00 . A A . 8 DBU C 1 1
12 2172 1 1 9 DBU CA C -3.139 5.574 -2.880 1.00 . A A . 8 DBU CA 1 1
12 2173 1 1 9 DBU CB C -2.898 6.299 -3.959 1.00 . A A . 8 DBU CB 1 1
12 2174 1 1 9 DBU CG C -2.472 5.664 -5.290 1.00 . A A . 8 DBU CG 1 1
12 2175 1 1 9 DBU HG1 H -1.713 4.913 -5.100 1.00 . A A . 8 DBU HG1 1 1
12 2176 1 1 9 DBU HG2 H -2.071 6.425 -5.942 1.00 . A A . 8 DBU HG2 1 1
12 2177 1 1 9 DBU HG3 H -3.328 5.201 -5.758 1.00 . A A . 8 DBU HG3 1 1
12 2178 1 1 9 DBU N N -3.029 4.117 -2.843 1.00 . A A . 8 DBU N 1 1
12 2179 1 1 10 CYS C C -4.744 5.643 1.682 1.00 . A A . 9 CYS C 1 1
12 2180 1 1 10 CYS CA C -3.981 6.418 0.632 1.00 . A A . 9 CYS CA 1 1
12 2181 1 1 10 CYS CB C -4.845 7.528 0.042 1.00 . A A . 9 CYS CB 1 1
12 2182 1 1 10 CYS HA H -3.111 6.870 1.091 1.00 . A A . 9 CYS HA 1 1
12 2183 1 1 10 CYS HB2 H -5.870 7.188 -0.074 1.00 . A A . 9 CYS HB2 1 1
12 2184 1 1 10 CYS HB3 H -4.798 8.414 0.649 1.00 . A A . 9 CYS HB3 1 1
12 2185 1 1 10 CYS N N -3.532 5.571 -0.474 1.00 . A A . 9 CYS N 1 1
12 2186 1 1 10 CYS O O -5.536 6.248 2.408 1.00 . A A . 9 CYS O 1 1
12 2187 1 1 10 CYS SG S -4.081 7.857 -1.554 1.00 . A A . 9 CYS SG 1 1
12 2188 1 1 11 . C C -4.025 2.963 3.715 1.00 . A A . 10 TS9 C 1 1
12 2189 1 1 11 . CA C -5.122 3.503 2.797 1.00 . A A . 10 TS9 CA 1 1
12 2190 1 1 11 . CB C -5.948 2.333 2.157 1.00 . A A . 10 TS9 CB 1 1
12 2191 1 1 11 . CD1 C -7.715 1.963 0.270 1.00 . A A . 10 TS9 CD1 1 1
12 2192 1 1 11 . CG1 C -6.933 2.962 1.111 1.00 . A A . 10 TS9 CG1 1 1
12 2193 1 1 11 . CG2 C -6.702 1.581 3.208 1.00 . A A . 10 TS9 CG2 1 1
12 2194 1 1 11 . H H -3.919 3.916 1.109 1.00 . A A . 10 TS9 H 1 1
12 2195 1 1 11 . HA H -5.787 4.128 3.375 1.00 . A A . 10 TS9 HA 1 1
12 2196 1 1 11 . HD11 H -8.347 1.368 0.911 1.00 . A A . 10 TS9 HD11 1 1
12 2197 1 1 11 . HD12 H -7.027 1.318 -0.256 1.00 . A A . 10 TS9 HD12 1 1
12 2198 1 1 11 . HD13 H -8.326 2.494 -0.444 1.00 . A A . 10 TS9 HD13 1 1
12 2199 1 1 11 . HD2 H -8.484 3.208 2.307 1.00 . A A . 10 TS9 HD2 1 1
12 2200 1 1 11 . HG1 H -6.378 3.600 0.439 1.00 . A A . 10 TS9 HG1 1 1
12 2201 1 1 11 . HG21 H -7.302 0.813 2.744 1.00 . A A . 10 TS9 HG21 1 1
12 2202 1 1 11 . HG22 H -7.343 2.262 3.749 1.00 . A A . 10 TS9 HG22 1 1
12 2203 1 1 11 . HG23 H -6.005 1.123 3.895 1.00 . A A . 10 TS9 HG23 1 1
12 2204 1 1 11 . HG3 H -5.124 0.579 1.878 1.00 . A A . 10 TS9 HG3 1 1
12 2205 1 1 11 . N N -4.515 4.335 1.764 1.00 . A A . 10 TS9 N 1 1
12 2206 1 1 11 . OD2 O -7.849 3.773 1.859 1.00 . A A . 10 TS9 OD2 1 1
12 2207 1 1 11 . OG3 O -5.064 1.454 1.487 1.00 . A A . 10 TS9 OG3 1 1
12 2208 1 1 12 . C C -0.812 1.479 4.192 1.00 . A A . 11 BB9 C 1 1
12 2209 1 1 12 . CA C -2.127 2.072 4.352 1.00 . A A . 11 BB9 CA 1 1
12 2210 1 1 12 . CB C -2.716 2.287 5.638 1.00 . A A . 11 BB9 CB 1 1
12 2211 1 1 12 . HB H -2.263 2.042 6.588 1.00 . A A . 11 BB9 HB 1 1
12 2212 1 1 12 . N N -2.899 2.466 3.314 1.00 . A A . 11 BB9 N 1 1
12 2213 1 1 12 . O O -0.091 1.127 5.126 1.00 . A A . 11 BB9 O 1 1
12 2214 1 1 12 . SG S -4.233 2.987 5.422 1.00 . A A . 11 BB9 SG 1 1
12 2215 1 1 13 THR C C 1.447 1.522 1.356 1.00 . A A . 12 THR C 1 1
12 2216 1 1 13 THR CA C 0.847 0.773 2.545 1.00 . A A . 12 THR CA 1 1
12 2217 1 1 13 THR CB C 0.741 -0.736 2.240 1.00 . A A . 12 THR CB 1 1
12 2218 1 1 13 THR CG2 C 0.477 -1.539 3.500 1.00 . A A . 12 THR CG2 1 1
12 2219 1 1 13 THR H H -1.068 1.623 2.209 1.00 . A A . 12 THR H 1 1
12 2220 1 1 13 THR HA H 1.504 0.888 3.394 1.00 . A A . 12 THR HA 1 1
12 2221 1 1 13 THR HB H 1.666 -1.078 1.795 1.00 . A A . 12 THR HB 1 1
12 2222 1 1 13 THR HG21 H -0.494 -1.278 3.896 1.00 . A A . 12 THR HG21 1 1
12 2223 1 1 13 THR HG22 H 1.237 -1.316 4.234 1.00 . A A . 12 THR HG22 1 1
12 2224 1 1 13 THR HG23 H 0.499 -2.593 3.267 1.00 . A A . 12 THR HG23 1 1
12 2225 1 1 13 THR N N -0.450 1.340 2.915 1.00 . A A . 12 THR N 1 1
12 2226 1 1 13 THR OG1 O -0.401 -1.004 1.329 1.00 . A A . 12 THR OG1 1 1
12 2227 1 1 14 . C C 4.146 1.918 -0.992 1.00 . A A . 13 BB9 C 1 1
12 2228 1 1 14 . CA C 2.859 2.077 -0.227 1.00 . A A . 13 BB9 CA 1 1
12 2229 1 1 14 . CB C 1.845 3.055 -0.475 1.00 . A A . 13 BB9 CB 1 1
12 2230 1 1 14 . HB H 1.870 3.806 -1.250 1.00 . A A . 13 BB9 HB 1 1
12 2231 1 1 14 . N N 2.587 1.248 0.805 1.00 . A A . 13 BB9 N 1 1
12 2232 1 1 14 . SG S 0.605 2.839 0.643 1.00 . A A . 13 BB9 SG 1 1
12 2233 1 1 15 . C C 7.323 1.637 0.918 1.00 . A A . 14 MH6 C 1 1
12 2234 1 1 15 . CA C 6.337 1.485 -0.172 1.00 . A A . 14 MH6 CA 1 1
12 2235 1 1 15 . CB C 6.775 0.735 -1.363 1.00 . A A . 14 MH6 CB 1 1
12 2236 1 1 15 . HB2 H 7.017 -0.274 -1.071 1.00 . A A . 14 MH6 HB2 1 1
12 2237 1 1 15 . HB3 H 7.658 1.202 -1.777 1.00 . A A . 14 MH6 HB3 1 1
12 2238 1 1 15 . N N 5.188 2.023 0.039 1.00 . A A . 14 MH6 N 1 1
12 2239 1 1 16 . C C 10.592 1.029 2.190 1.00 . A A . 15 BB9 C 1 1
12 2240 1 1 16 . CA C 9.218 1.442 1.989 1.00 . A A . 15 BB9 CA 1 1
12 2241 1 1 16 . CB C 8.482 2.179 2.970 1.00 . A A . 15 BB9 CB 1 1
12 2242 1 1 16 . HB H 8.855 2.494 3.933 1.00 . A A . 15 BB9 HB 1 1
12 2243 1 1 16 . N N 8.523 1.167 0.863 1.00 . A A . 15 BB9 N 1 1
12 2244 1 1 16 . O O 11.244 1.254 3.210 1.00 . A A . 15 BB9 O 1 1
12 2245 1 1 16 . SG S 6.933 2.469 2.371 1.00 . A A . 15 BB9 SG 1 1
12 2246 1 1 17 DHA C C 12.731 -0.656 -0.340 1.00 . A A . 16 DHA C 1 1
12 2247 1 1 17 DHA CA C 12.439 -0.185 1.004 1.00 . A A . 16 DHA CA 1 1
12 2248 1 1 17 DHA CB C 13.337 -0.278 1.973 1.00 . A A . 16 DHA CB 1 1
12 2249 1 1 17 DHA H H 10.487 0.290 0.361 1.00 . A A . 16 DHA H 1 1
12 2250 1 1 17 DHA HB1 H 14.305 -0.711 1.771 1.00 . A A . 16 DHA HB1 1 1
12 2251 1 1 17 DHA HB2 H 13.104 0.078 2.964 1.00 . A A . 16 DHA HB2 1 1
12 2252 1 1 17 DHA N N 11.085 0.383 1.132 1.00 . A A . 16 DHA N 1 1
12 2253 1 1 17 DHA O O 11.848 -0.533 -1.189 1.00 . A A . 16 DHA O 1 1
12 2254 1 1 18 NH2 HN1 H 14.108 -1.509 -1.514 1.00 . A A . 17 NH2 HN1 1 1
12 2255 1 1 18 NH2 HN2 H 14.583 -1.268 0.108 1.00 . A A . 17 NH2 HN2 1 1
12 2256 1 1 18 NH2 N N 13.916 -1.194 -0.606 1.00 . A A . 17 NH2 N 1 1
13 2257 1 1 1 QUA C10 C -3.703 -2.388 -2.002 1.00 . A A . 0 QUA C10 1 1
13 2258 1 1 1 QUA C11 C -0.164 -1.327 0.084 1.00 . A A . 0 QUA C11 1 1
13 2259 1 1 1 QUA C13 C -2.403 -2.674 -4.173 1.00 . A A . 0 QUA C13 1 1
13 2260 1 1 1 QUA C14 C -2.414 -4.189 -4.357 1.00 . A A . 0 QUA C14 1 1
13 2261 1 1 1 QUA C2 C -1.429 -1.701 -0.627 1.00 . A A . 0 QUA C2 1 1
13 2262 1 1 1 QUA C3 C -1.330 -1.992 -1.983 1.00 . A A . 0 QUA C3 1 1
13 2263 1 1 1 QUA C4 C -2.484 -2.340 -2.687 1.00 . A A . 0 QUA C4 1 1
13 2264 1 1 1 QUA C5 C -4.976 -2.730 -2.665 1.00 . A A . 0 QUA C5 1 1
13 2265 1 1 1 QUA C6 C -6.009 -3.106 -1.988 1.00 . A A . 0 QUA C6 1 1
13 2266 1 1 1 QUA C7 C -5.956 -3.228 -0.467 1.00 . A A . 0 QUA C7 1 1
13 2267 1 1 1 QUA C8 C -5.018 -2.145 0.133 1.00 . A A . 0 QUA C8 1 1
13 2268 1 1 1 QUA C9 C -3.708 -2.085 -0.649 1.00 . A A . 0 QUA C9 1 1
13 2269 1 1 1 QUA H13 H -3.258 -2.263 -4.684 1.00 . A A . 0 QUA H13 1 1
13 2270 1 1 1 QUA H141 H -3.213 -4.620 -3.764 1.00 . A A . 0 QUA H141 1 1
13 2271 1 1 1 QUA H142 H -1.468 -4.597 -4.034 1.00 . A A . 0 QUA H142 1 1
13 2272 1 1 1 QUA H143 H -2.572 -4.423 -5.398 1.00 . A A . 0 QUA H143 1 1
13 2273 1 1 1 QUA H15 H -0.443 -2.494 -4.314 1.00 . A A . 0 QUA H15 1 1
13 2274 1 1 1 QUA H16 H -5.934 -0.634 1.010 1.00 . A A . 0 QUA H16 1 1
13 2275 1 1 1 QUA HC3 H -0.374 -1.946 -2.485 1.00 . A A . 0 QUA HC3 1 1
13 2276 1 1 1 QUA HC5 H -5.056 -2.660 -3.737 1.00 . A A . 0 QUA HC5 1 1
13 2277 1 1 1 QUA HC6 H -6.922 -3.343 -2.510 1.00 . A A . 0 QUA HC6 1 1
13 2278 1 1 1 QUA HC71 H -6.946 -3.127 -0.050 1.00 . A A . 0 QUA HC71 1 1
13 2279 1 1 1 QUA HC8 H -4.811 -2.410 1.159 1.00 . A A . 0 QUA HC8 1 1
13 2280 1 1 1 QUA N1 N -2.601 -1.741 0.066 1.00 . A A . 0 QUA N1 1 1
13 2281 1 1 1 QUA O12 O 0.937 -1.304 -0.467 1.00 . A A . 0 QUA O12 1 1
13 2282 1 1 1 QUA O15 O -1.213 -2.134 -4.761 1.00 . A A . 0 QUA O15 1 1
13 2283 1 1 1 QUA O16 O -5.681 -0.875 0.115 1.00 . A A . 0 QUA O16 1 1
13 2284 1 1 2 ILE C C -4.445 -5.191 1.975 1.00 . A A . 1 ILE C 1 1
13 2285 1 1 2 ILE CA C -5.725 -5.118 1.150 1.00 . A A . 1 ILE CA 1 1
13 2286 1 1 2 ILE CB C -6.386 -6.519 1.094 1.00 . A A . 1 ILE CB 1 1
13 2287 1 1 2 ILE CD1 C -5.130 -7.230 -1.061 1.00 . A A . 1 ILE CD1 1 1
13 2288 1 1 2 ILE CG1 C -5.487 -7.558 0.384 1.00 . A A . 1 ILE CG1 1 1
13 2289 1 1 2 ILE CG2 C -7.746 -6.432 0.416 1.00 . A A . 1 ILE CG2 1 1
13 2290 1 1 2 ILE H H -4.478 -4.623 -0.373 1.00 . A A . 1 ILE H 1 1
13 2291 1 1 2 ILE HA H -6.412 -4.436 1.632 1.00 . A A . 1 ILE HA 1 1
13 2292 1 1 2 ILE HB H -6.550 -6.843 2.111 1.00 . A A . 1 ILE HB 1 1
13 2293 1 1 2 ILE HD11 H -4.358 -6.474 -1.083 1.00 . A A . 1 ILE HD11 1 1
13 2294 1 1 2 ILE HD12 H -6.003 -6.865 -1.578 1.00 . A A . 1 ILE HD12 1 1
13 2295 1 1 2 ILE HD13 H -4.771 -8.123 -1.552 1.00 . A A . 1 ILE HD13 1 1
13 2296 1 1 2 ILE HG12 H -4.563 -7.658 0.931 1.00 . A A . 1 ILE HG12 1 1
13 2297 1 1 2 ILE HG13 H -5.995 -8.512 0.386 1.00 . A A . 1 ILE HG13 1 1
13 2298 1 1 2 ILE HG21 H -7.646 -5.925 -0.532 1.00 . A A . 1 ILE HG21 1 1
13 2299 1 1 2 ILE HG22 H -8.429 -5.882 1.047 1.00 . A A . 1 ILE HG22 1 1
13 2300 1 1 2 ILE HG23 H -8.131 -7.428 0.252 1.00 . A A . 1 ILE HG23 1 1
13 2301 1 1 2 ILE N N -5.444 -4.603 -0.212 1.00 . A A . 1 ILE N 1 1
13 2302 1 1 2 ILE O O -4.443 -4.903 3.172 1.00 . A A . 1 ILE O 1 1
13 2303 1 1 3 ALA C C -0.951 -5.868 0.916 1.00 . A A . 2 ALA C 1 1
13 2304 1 1 3 ALA CA C -2.049 -5.670 1.956 1.00 . A A . 2 ALA CA 1 1
13 2305 1 1 3 ALA CB C -2.030 -6.810 2.965 1.00 . A A . 2 ALA CB 1 1
13 2306 1 1 3 ALA H H -3.433 -5.802 0.363 1.00 . A A . 2 ALA H 1 1
13 2307 1 1 3 ALA HA H -1.869 -4.746 2.486 1.00 . A A . 2 ALA HA 1 1
13 2308 1 1 3 ALA HB1 H -2.272 -7.736 2.467 1.00 . A A . 2 ALA HB1 1 1
13 2309 1 1 3 ALA HB2 H -2.757 -6.619 3.742 1.00 . A A . 2 ALA HB2 1 1
13 2310 1 1 3 ALA HB3 H -1.047 -6.884 3.406 1.00 . A A . 2 ALA HB3 1 1
13 2311 1 1 3 ALA N N -3.355 -5.575 1.314 1.00 . A A . 2 ALA N 1 1
13 2312 1 1 3 ALA O O -0.903 -6.899 0.245 1.00 . A A . 2 ALA O 1 1
13 2313 1 1 4 DHA C C 2.082 -3.905 0.312 1.00 . A A . 3 DHA C 1 1
13 2314 1 1 4 DHA CA C 1.063 -4.829 -0.127 1.00 . A A . 3 DHA CA 1 1
13 2315 1 1 4 DHA CB C 1.197 -5.540 -1.235 1.00 . A A . 3 DHA CB 1 1
13 2316 1 1 4 DHA H H -0.173 -4.112 1.407 1.00 . A A . 3 DHA H 1 1
13 2317 1 1 4 DHA HB1 H 0.425 -6.232 -1.529 1.00 . A A . 3 DHA HB1 1 1
13 2318 1 1 4 DHA HB2 H 2.085 -5.435 -1.840 1.00 . A A . 3 DHA HB2 1 1
13 2319 1 1 4 DHA N N -0.068 -4.876 0.799 1.00 . A A . 3 DHA N 1 1
13 2320 1 1 4 DHA O O 1.876 -3.312 1.369 1.00 . A A . 3 DHA O 1 1
13 2321 1 1 5 ALA C C 4.445 -1.741 -1.107 1.00 . A A . 4 ALA C 1 1
13 2322 1 1 5 ALA CA C 4.191 -2.769 -0.014 1.00 . A A . 4 ALA CA 1 1
13 2323 1 1 5 ALA CB C 5.458 -3.522 0.339 1.00 . A A . 4 ALA CB 1 1
13 2324 1 1 5 ALA H H 3.275 -4.213 -1.256 1.00 . A A . 4 ALA H 1 1
13 2325 1 1 5 ALA HA H 3.846 -2.256 0.872 1.00 . A A . 4 ALA HA 1 1
13 2326 1 1 5 ALA HB1 H 5.850 -4.001 -0.544 1.00 . A A . 4 ALA HB1 1 1
13 2327 1 1 5 ALA HB2 H 5.226 -4.272 1.082 1.00 . A A . 4 ALA HB2 1 1
13 2328 1 1 5 ALA HB3 H 6.189 -2.834 0.736 1.00 . A A . 4 ALA HB3 1 1
13 2329 1 1 5 ALA N N 3.163 -3.711 -0.422 1.00 . A A . 4 ALA N 1 1
13 2330 1 1 5 ALA O O 4.840 -2.093 -2.219 1.00 . A A . 4 ALA O 1 1
13 2331 1 1 6 SER C C 3.259 0.471 -2.830 1.00 . A A . 5 SER C 1 1
13 2332 1 1 6 SER CA C 4.293 0.625 -1.814 1.00 . A A . 5 SER CA 1 1
13 2333 1 1 6 SER CB C 5.726 0.699 -2.417 1.00 . A A . 5 SER CB 1 1
13 2334 1 1 6 SER H H 3.969 -0.247 0.142 1.00 . A A . 5 SER H 1 1
13 2335 1 1 6 SER HB2 H 5.918 -0.181 -3.012 1.00 . A A . 5 SER HB2 1 1
13 2336 1 1 6 SER HB3 H 5.813 1.579 -3.038 1.00 . A A . 5 SER HB3 1 1
13 2337 1 1 6 SER N N 4.205 -0.468 -0.784 1.00 . A A . 5 SER N 1 1
13 2338 1 1 7 . C C -0.111 0.791 -3.981 1.00 . A A . 6 BB9 C 1 1
13 2339 1 1 7 . CA C 1.307 0.520 -3.843 1.00 . A A . 6 BB9 CA 1 1
13 2340 1 1 7 . CB C 2.081 -0.050 -4.894 1.00 . A A . 6 BB9 CB 1 1
13 2341 1 1 7 . HB H 1.709 -0.337 -5.868 1.00 . A A . 6 BB9 HB 1 1
13 2342 1 1 7 . N N 2.008 0.791 -2.721 1.00 . A A . 6 BB9 N 1 1
13 2343 1 1 7 . O O -0.764 0.573 -5.002 1.00 . A A . 6 BB9 O 1 1
13 2344 1 1 7 . SG S 3.670 -0.204 -4.363 1.00 . A A . 6 BB9 SG 1 1
13 2345 1 1 8 THR C C -1.883 3.399 -2.751 1.00 . A A . 7 THR C 1 1
13 2346 1 1 8 THR CA C -1.986 1.886 -2.878 1.00 . A A . 7 THR CA 1 1
13 2347 1 1 8 THR CB C -2.882 1.328 -1.751 1.00 . A A . 7 THR CB 1 1
13 2348 1 1 8 THR CG2 C -2.273 1.576 -0.378 1.00 . A A . 7 THR CG2 1 1
13 2349 1 1 8 THR H H -0.150 1.258 -2.031 1.00 . A A . 7 THR H 1 1
13 2350 1 1 8 THR HA H -2.450 1.651 -3.826 1.00 . A A . 7 THR HA 1 1
13 2351 1 1 8 THR HB H -2.984 0.265 -1.893 1.00 . A A . 7 THR HB 1 1
13 2352 1 1 8 THR HG1 H -4.807 1.389 -1.320 1.00 . A A . 7 THR HG1 1 1
13 2353 1 1 8 THR HG21 H -1.269 1.186 -0.357 1.00 . A A . 7 THR HG21 1 1
13 2354 1 1 8 THR HG22 H -2.868 1.079 0.372 1.00 . A A . 7 THR HG22 1 1
13 2355 1 1 8 THR HG23 H -2.254 2.637 -0.177 1.00 . A A . 7 THR HG23 1 1
13 2356 1 1 8 THR N N -0.655 1.292 -2.872 1.00 . A A . 7 THR N 1 1
13 2357 1 1 8 THR O O -0.791 3.940 -2.575 1.00 . A A . 7 THR O 1 1
13 2358 1 1 8 THR OG1 O -4.182 1.927 -1.813 1.00 . A A . 7 THR OG1 1 1
13 2359 1 1 9 DBU C C -3.412 6.197 -1.606 1.00 . A A . 8 DBU C 1 1
13 2360 1 1 9 DBU CA C -3.107 5.534 -2.893 1.00 . A A . 8 DBU CA 1 1
13 2361 1 1 9 DBU CB C -2.927 6.236 -3.999 1.00 . A A . 8 DBU CB 1 1
13 2362 1 1 9 DBU CG C -2.599 5.568 -5.343 1.00 . A A . 8 DBU CG 1 1
13 2363 1 1 9 DBU HG1 H -1.847 4.800 -5.186 1.00 . A A . 8 DBU HG1 1 1
13 2364 1 1 9 DBU HG2 H -2.219 6.307 -6.031 1.00 . A A . 8 DBU HG2 1 1
13 2365 1 1 9 DBU HG3 H -3.492 5.118 -5.750 1.00 . A A . 8 DBU HG3 1 1
13 2366 1 1 9 DBU N N -3.013 4.077 -2.840 1.00 . A A . 8 DBU N 1 1
13 2367 1 1 10 CYS C C -4.490 5.709 1.739 1.00 . A A . 9 CYS C 1 1
13 2368 1 1 10 CYS CA C -3.720 6.431 0.657 1.00 . A A . 9 CYS CA 1 1
13 2369 1 1 10 CYS CB C -4.528 7.605 0.110 1.00 . A A . 9 CYS CB 1 1
13 2370 1 1 10 CYS HA H -2.801 6.817 1.077 1.00 . A A . 9 CYS HA 1 1
13 2371 1 1 10 CYS HB2 H -5.581 7.347 0.065 1.00 . A A . 9 CYS HB2 1 1
13 2372 1 1 10 CYS HB3 H -4.372 8.486 0.706 1.00 . A A . 9 CYS HB3 1 1
13 2373 1 1 10 CYS N N -3.379 5.561 -0.470 1.00 . A A . 9 CYS N 1 1
13 2374 1 1 10 CYS O O -5.098 6.376 2.576 1.00 . A A . 9 CYS O 1 1
13 2375 1 1 10 CYS SG S -3.851 7.870 -1.535 1.00 . A A . 9 CYS SG 1 1
13 2376 1 1 11 . C C -4.030 2.994 3.685 1.00 . A A . 10 TS9 C 1 1
13 2377 1 1 11 . CA C -5.105 3.583 2.771 1.00 . A A . 10 TS9 CA 1 1
13 2378 1 1 11 . CB C -5.995 2.454 2.143 1.00 . A A . 10 TS9 CB 1 1
13 2379 1 1 11 . CD1 C -7.832 2.185 0.306 1.00 . A A . 10 TS9 CD1 1 1
13 2380 1 1 11 . CG1 C -6.973 3.138 1.126 1.00 . A A . 10 TS9 CG1 1 1
13 2381 1 1 11 . CG2 C -6.759 1.727 3.205 1.00 . A A . 10 TS9 CG2 1 1
13 2382 1 1 11 . H H -4.007 3.917 0.994 1.00 . A A . 10 TS9 H 1 1
13 2383 1 1 11 . HA H -5.734 4.244 3.349 1.00 . A A . 10 TS9 HA 1 1
13 2384 1 1 11 . HD11 H -7.197 1.464 -0.188 1.00 . A A . 10 TS9 HD11 1 1
13 2385 1 1 11 . HD12 H -8.383 2.746 -0.434 1.00 . A A . 10 TS9 HD12 1 1
13 2386 1 1 11 . HD13 H -8.523 1.672 0.957 1.00 . A A . 10 TS9 HD13 1 1
13 2387 1 1 11 . HD2 H -8.670 3.561 2.041 1.00 . A A . 10 TS9 HD2 1 1
13 2388 1 1 11 . HG1 H -6.404 3.747 0.441 1.00 . A A . 10 TS9 HG1 1 1
13 2389 1 1 11 . HG21 H -6.068 1.245 3.881 1.00 . A A . 10 TS9 HG21 1 1
13 2390 1 1 11 . HG22 H -7.391 0.980 2.747 1.00 . A A . 10 TS9 HG22 1 1
13 2391 1 1 11 . HG23 H -7.369 2.427 3.755 1.00 . A A . 10 TS9 HG23 1 1
13 2392 1 1 11 . HG3 H -4.771 0.928 2.065 1.00 . A A . 10 TS9 HG3 1 1
13 2393 1 1 11 . N N -4.467 4.378 1.727 1.00 . A A . 10 TS9 N 1 1
13 2394 1 1 11 . OD2 O -7.823 3.993 1.901 1.00 . A A . 10 TS9 OD2 1 1
13 2395 1 1 11 . OG3 O -5.165 1.545 1.444 1.00 . A A . 10 TS9 OG3 1 1
13 2396 1 1 12 . C C -0.841 1.459 4.165 1.00 . A A . 11 BB9 C 1 1
13 2397 1 1 12 . CA C -2.153 2.058 4.320 1.00 . A A . 11 BB9 CA 1 1
13 2398 1 1 12 . CB C -2.766 2.226 5.602 1.00 . A A . 11 BB9 CB 1 1
13 2399 1 1 12 . HB H -2.334 1.938 6.550 1.00 . A A . 11 BB9 HB 1 1
13 2400 1 1 12 . N N -2.901 2.502 3.285 1.00 . A A . 11 BB9 N 1 1
13 2401 1 1 12 . O O -0.143 1.066 5.100 1.00 . A A . 11 BB9 O 1 1
13 2402 1 1 12 . SG S -4.270 2.951 5.387 1.00 . A A . 11 BB9 SG 1 1
13 2403 1 1 13 THR C C 1.439 1.552 1.335 1.00 . A A . 12 THR C 1 1
13 2404 1 1 13 THR CA C 0.849 0.804 2.530 1.00 . A A . 12 THR CA 1 1
13 2405 1 1 13 THR CB C 0.763 -0.710 2.237 1.00 . A A . 12 THR CB 1 1
13 2406 1 1 13 THR CG2 C 0.540 -1.508 3.509 1.00 . A A . 12 THR CG2 1 1
13 2407 1 1 13 THR H H -1.060 1.665 2.184 1.00 . A A . 12 THR H 1 1
13 2408 1 1 13 THR HA H 1.504 0.935 3.379 1.00 . A A . 12 THR HA 1 1
13 2409 1 1 13 THR HB H 1.682 -1.040 1.773 1.00 . A A . 12 THR HB 1 1
13 2410 1 1 13 THR HG21 H 1.299 -1.250 4.233 1.00 . A A . 12 THR HG21 1 1
13 2411 1 1 13 THR HG22 H 0.597 -2.563 3.286 1.00 . A A . 12 THR HG22 1 1
13 2412 1 1 13 THR HG23 H -0.434 -1.277 3.913 1.00 . A A . 12 THR HG23 1 1
13 2413 1 1 13 THR N N -0.456 1.359 2.893 1.00 . A A . 12 THR N 1 1
13 2414 1 1 13 THR OG1 O -0.396 -1.002 1.355 1.00 . A A . 12 THR OG1 1 1
13 2415 1 1 14 . C C 4.131 1.968 -1.013 1.00 . A A . 13 BB9 C 1 1
13 2416 1 1 14 . CA C 2.841 2.116 -0.252 1.00 . A A . 13 BB9 CA 1 1
13 2417 1 1 14 . CB C 1.810 3.073 -0.511 1.00 . A A . 13 BB9 CB 1 1
13 2418 1 1 14 . HB H 1.822 3.816 -1.293 1.00 . A A . 13 BB9 HB 1 1
13 2419 1 1 14 . N N 2.583 1.291 0.789 1.00 . A A . 13 BB9 N 1 1
13 2420 1 1 14 . SG S 0.574 2.847 0.609 1.00 . A A . 13 BB9 SG 1 1
13 2421 1 1 15 . C C 7.295 1.795 0.934 1.00 . A A . 14 MH6 C 1 1
13 2422 1 1 15 . CA C 6.321 1.580 -0.158 1.00 . A A . 14 MH6 CA 1 1
13 2423 1 1 15 . CB C 6.770 0.774 -1.306 1.00 . A A . 14 MH6 CB 1 1
13 2424 1 1 15 . HB2 H 6.983 -0.228 -0.968 1.00 . A A . 14 MH6 HB2 1 1
13 2425 1 1 15 . HB3 H 7.673 1.205 -1.717 1.00 . A A . 14 MH6 HB3 1 1
13 2426 1 1 15 . N N 5.169 2.125 0.016 1.00 . A A . 14 MH6 N 1 1
13 2427 1 1 16 . C C 10.538 1.254 2.307 1.00 . A A . 15 BB9 C 1 1
13 2428 1 1 16 . CA C 9.172 1.659 2.048 1.00 . A A . 15 BB9 CA 1 1
13 2429 1 1 16 . CB C 8.425 2.467 2.963 1.00 . A A . 15 BB9 CB 1 1
13 2430 1 1 16 . HB H 8.786 2.846 3.908 1.00 . A A . 15 BB9 HB 1 1
13 2431 1 1 16 . N N 8.493 1.313 0.931 1.00 . A A . 15 BB9 N 1 1
13 2432 1 1 16 . O O 11.172 1.558 3.316 1.00 . A A . 15 BB9 O 1 1
13 2433 1 1 16 . SG S 6.890 2.727 2.319 1.00 . A A . 15 BB9 SG 1 1
13 2434 1 1 17 DHA C C 12.669 -0.769 0.020 1.00 . A A . 16 DHA C 1 1
13 2435 1 1 17 DHA CA C 12.392 -0.088 1.274 1.00 . A A . 16 DHA CA 1 1
13 2436 1 1 17 DHA CB C 13.296 -0.041 2.242 1.00 . A A . 16 DHA CB 1 1
13 2437 1 1 17 DHA H H 10.459 0.354 0.548 1.00 . A A . 16 DHA H 1 1
13 2438 1 1 17 DHA HB1 H 14.259 -0.513 2.104 1.00 . A A . 16 DHA HB1 1 1
13 2439 1 1 17 DHA HB2 H 13.077 0.468 3.168 1.00 . A A . 16 DHA HB2 1 1
13 2440 1 1 17 DHA N N 11.044 0.510 1.320 1.00 . A A . 16 DHA N 1 1
13 2441 1 1 17 DHA O O 11.783 -0.771 -0.834 1.00 . A A . 16 DHA O 1 1
13 2442 1 1 18 NH2 HN1 H 14.031 -1.812 -1.010 1.00 . A A . 17 NH2 HN1 1 1
13 2443 1 1 18 NH2 HN2 H 14.518 -1.323 0.552 1.00 . A A . 17 NH2 HN2 1 1
13 2444 1 1 18 NH2 N N 13.847 -1.355 -0.162 1.00 . A A . 17 NH2 N 1 1
14 2445 1 1 1 QUA C10 C -3.802 -2.436 -2.011 1.00 . A A . 0 QUA C10 1 1
14 2446 1 1 1 QUA C11 C -0.231 -1.394 0.027 1.00 . A A . 0 QUA C11 1 1
14 2447 1 1 1 QUA C13 C -2.527 -2.796 -4.185 1.00 . A A . 0 QUA C13 1 1
14 2448 1 1 1 QUA C14 C -2.552 -4.315 -4.332 1.00 . A A . 0 QUA C14 1 1
14 2449 1 1 1 QUA C2 C -1.506 -1.760 -0.669 1.00 . A A . 0 QUA C2 1 1
14 2450 1 1 1 QUA C3 C -1.422 -2.082 -2.020 1.00 . A A . 0 QUA C3 1 1
14 2451 1 1 1 QUA C4 C -2.588 -2.426 -2.706 1.00 . A A . 0 QUA C4 1 1
14 2452 1 1 1 QUA C5 C -5.087 -2.773 -2.653 1.00 . A A . 0 QUA C5 1 1
14 2453 1 1 1 QUA C6 C -6.117 -3.121 -1.956 1.00 . A A . 0 QUA C6 1 1
14 2454 1 1 1 QUA C7 C -6.046 -3.212 -0.434 1.00 . A A . 0 QUA C7 1 1
14 2455 1 1 1 QUA C8 C -5.094 -2.121 0.128 1.00 . A A . 0 QUA C8 1 1
14 2456 1 1 1 QUA C9 C -3.791 -2.101 -0.665 1.00 . A A . 0 QUA C9 1 1
14 2457 1 1 1 QUA H13 H -3.385 -2.390 -4.696 1.00 . A A . 0 QUA H13 1 1
14 2458 1 1 1 QUA H141 H -3.341 -4.726 -3.713 1.00 . A A . 0 QUA H141 1 1
14 2459 1 1 1 QUA H142 H -1.602 -4.722 -4.019 1.00 . A A . 0 QUA H142 1 1
14 2460 1 1 1 QUA H143 H -2.733 -4.573 -5.364 1.00 . A A . 0 QUA H143 1 1
14 2461 1 1 1 QUA H15 H -1.429 -2.322 -5.754 1.00 . A A . 0 QUA H15 1 1
14 2462 1 1 1 QUA H16 H -5.784 -0.544 -0.839 1.00 . A A . 0 QUA H16 1 1
14 2463 1 1 1 QUA HC3 H -0.470 -2.066 -2.529 1.00 . A A . 0 QUA HC3 1 1
14 2464 1 1 1 QUA HC5 H -5.177 -2.723 -3.726 1.00 . A A . 0 QUA HC5 1 1
14 2465 1 1 1 QUA HC6 H -7.039 -3.357 -2.463 1.00 . A A . 0 QUA HC6 1 1
14 2466 1 1 1 QUA HC71 H -7.029 -3.097 -0.006 1.00 . A A . 0 QUA HC71 1 1
14 2467 1 1 1 QUA HC8 H -4.883 -2.354 1.161 1.00 . A A . 0 QUA HC8 1 1
14 2468 1 1 1 QUA N1 N -2.673 -1.762 0.034 1.00 . A A . 0 QUA N1 1 1
14 2469 1 1 1 QUA O12 O 0.865 -1.389 -0.534 1.00 . A A . 0 QUA O12 1 1
14 2470 1 1 1 QUA O15 O -1.339 -2.278 -4.800 1.00 . A A . 0 QUA O15 1 1
14 2471 1 1 1 QUA O16 O -5.744 -0.844 0.072 1.00 . A A . 0 QUA O16 1 1
14 2472 1 1 2 ILE C C -4.406 -5.065 2.002 1.00 . A A . 1 ILE C 1 1
14 2473 1 1 2 ILE CA C -5.732 -5.038 1.248 1.00 . A A . 1 ILE CA 1 1
14 2474 1 1 2 ILE CB C -6.379 -6.445 1.297 1.00 . A A . 1 ILE CB 1 1
14 2475 1 1 2 ILE CD1 C -5.253 -7.260 -0.893 1.00 . A A . 1 ILE CD1 1 1
14 2476 1 1 2 ILE CG1 C -5.509 -7.509 0.588 1.00 . A A . 1 ILE CG1 1 1
14 2477 1 1 2 ILE CG2 C -7.776 -6.406 0.695 1.00 . A A . 1 ILE CG2 1 1
14 2478 1 1 2 ILE H H -4.583 -4.628 -0.377 1.00 . A A . 1 ILE H 1 1
14 2479 1 1 2 ILE HA H -6.397 -4.340 1.735 1.00 . A A . 1 ILE HA 1 1
14 2480 1 1 2 ILE HB H -6.482 -6.720 2.336 1.00 . A A . 1 ILE HB 1 1
14 2481 1 1 2 ILE HD11 H -4.870 -8.162 -1.345 1.00 . A A . 1 ILE HD11 1 1
14 2482 1 1 2 ILE HD12 H -4.527 -6.468 -1.011 1.00 . A A . 1 ILE HD12 1 1
14 2483 1 1 2 ILE HD13 H -6.174 -6.979 -1.379 1.00 . A A . 1 ILE HD13 1 1
14 2484 1 1 2 ILE HG12 H -4.550 -7.562 1.077 1.00 . A A . 1 ILE HG12 1 1
14 2485 1 1 2 ILE HG13 H -5.998 -8.469 0.678 1.00 . A A . 1 ILE HG13 1 1
14 2486 1 1 2 ILE HG21 H -7.733 -5.967 -0.290 1.00 . A A . 1 ILE HG21 1 1
14 2487 1 1 2 ILE HG22 H -8.422 -5.812 1.325 1.00 . A A . 1 ILE HG22 1 1
14 2488 1 1 2 ILE HG23 H -8.166 -7.410 0.626 1.00 . A A . 1 ILE HG23 1 1
14 2489 1 1 2 ILE N N -5.536 -4.585 -0.153 1.00 . A A . 1 ILE N 1 1
14 2490 1 1 2 ILE O O -4.347 -4.745 3.189 1.00 . A A . 1 ILE O 1 1
14 2491 1 1 3 ALA C C -0.956 -5.727 0.801 1.00 . A A . 2 ALA C 1 1
14 2492 1 1 3 ALA CA C -2.014 -5.537 1.883 1.00 . A A . 2 ALA CA 1 1
14 2493 1 1 3 ALA CB C -1.946 -6.678 2.890 1.00 . A A . 2 ALA CB 1 1
14 2494 1 1 3 ALA H H -3.465 -5.689 0.353 1.00 . A A . 2 ALA H 1 1
14 2495 1 1 3 ALA HA H -1.819 -4.613 2.408 1.00 . A A . 2 ALA HA 1 1
14 2496 1 1 3 ALA HB1 H -2.657 -6.501 3.685 1.00 . A A . 2 ALA HB1 1 1
14 2497 1 1 3 ALA HB2 H -0.950 -6.736 3.304 1.00 . A A . 2 ALA HB2 1 1
14 2498 1 1 3 ALA HB3 H -2.186 -7.608 2.396 1.00 . A A . 2 ALA HB3 1 1
14 2499 1 1 3 ALA N N -3.347 -5.452 1.297 1.00 . A A . 2 ALA N 1 1
14 2500 1 1 3 ALA O O -1.012 -6.688 0.035 1.00 . A A . 2 ALA O 1 1
14 2501 1 1 4 DHA C C 2.178 -3.886 0.261 1.00 . A A . 3 DHA C 1 1
14 2502 1 1 4 DHA CA C 1.123 -4.763 -0.191 1.00 . A A . 3 DHA CA 1 1
14 2503 1 1 4 DHA CB C 1.217 -5.437 -1.325 1.00 . A A . 3 DHA CB 1 1
14 2504 1 1 4 DHA H H -0.029 -4.094 1.429 1.00 . A A . 3 DHA H 1 1
14 2505 1 1 4 DHA HB1 H 0.421 -6.094 -1.632 1.00 . A A . 3 DHA HB1 1 1
14 2506 1 1 4 DHA HB2 H 2.098 -5.337 -1.941 1.00 . A A . 3 DHA HB2 1 1
14 2507 1 1 4 DHA N N 0.005 -4.805 0.754 1.00 . A A . 3 DHA N 1 1
14 2508 1 1 4 DHA O O 2.013 -3.326 1.341 1.00 . A A . 3 DHA O 1 1
14 2509 1 1 5 ALA C C 4.539 -1.723 -1.146 1.00 . A A . 4 ALA C 1 1
14 2510 1 1 5 ALA CA C 4.306 -2.789 -0.086 1.00 . A A . 4 ALA CA 1 1
14 2511 1 1 5 ALA CB C 5.571 -3.577 0.189 1.00 . A A . 4 ALA CB 1 1
14 2512 1 1 5 ALA H H 3.327 -4.176 -1.343 1.00 . A A . 4 ALA H 1 1
14 2513 1 1 5 ALA HA H 4.003 -2.307 0.833 1.00 . A A . 4 ALA HA 1 1
14 2514 1 1 5 ALA HB1 H 5.351 -4.360 0.901 1.00 . A A . 4 ALA HB1 1 1
14 2515 1 1 5 ALA HB2 H 6.325 -2.920 0.595 1.00 . A A . 4 ALA HB2 1 1
14 2516 1 1 5 ALA HB3 H 5.928 -4.017 -0.729 1.00 . A A . 4 ALA HB3 1 1
14 2517 1 1 5 ALA N N 3.247 -3.696 -0.493 1.00 . A A . 4 ALA N 1 1
14 2518 1 1 5 ALA O O 4.951 -2.032 -2.265 1.00 . A A . 4 ALA O 1 1
14 2519 1 1 6 SER C C 3.325 0.523 -2.814 1.00 . A A . 5 SER C 1 1
14 2520 1 1 6 SER CA C 4.345 0.661 -1.783 1.00 . A A . 5 SER CA 1 1
14 2521 1 1 6 SER CB C 5.784 0.777 -2.365 1.00 . A A . 5 SER CB 1 1
14 2522 1 1 6 SER H H 4.000 -0.280 0.138 1.00 . A A . 5 SER H 1 1
14 2523 1 1 6 SER HB2 H 5.998 -0.078 -2.987 1.00 . A A . 5 SER HB2 1 1
14 2524 1 1 6 SER HB3 H 5.862 1.679 -2.954 1.00 . A A . 5 SER HB3 1 1
14 2525 1 1 6 SER N N 4.261 -0.465 -0.788 1.00 . A A . 5 SER N 1 1
14 2526 1 1 7 . C C -0.038 0.847 -3.987 1.00 . A A . 6 BB9 C 1 1
14 2527 1 1 7 . CA C 1.381 0.584 -3.844 1.00 . A A . 6 BB9 CA 1 1
14 2528 1 1 7 . CB C 2.172 0.044 -4.903 1.00 . A A . 6 BB9 CB 1 1
14 2529 1 1 7 . HB H 1.813 -0.221 -5.887 1.00 . A A . 6 BB9 HB 1 1
14 2530 1 1 7 . N N 2.069 0.830 -2.710 1.00 . A A . 6 BB9 N 1 1
14 2531 1 1 7 . O O -0.680 0.650 -5.019 1.00 . A A . 6 BB9 O 1 1
14 2532 1 1 7 . SG S 3.758 -0.109 -4.359 1.00 . A A . 6 BB9 SG 1 1
14 2533 1 1 8 THR C C -1.840 3.413 -2.693 1.00 . A A . 7 THR C 1 1
14 2534 1 1 8 THR CA C -1.931 1.905 -2.876 1.00 . A A . 7 THR CA 1 1
14 2535 1 1 8 THR CB C -2.844 1.306 -1.785 1.00 . A A . 7 THR CB 1 1
14 2536 1 1 8 THR CG2 C -2.261 1.508 -0.394 1.00 . A A . 7 THR CG2 1 1
14 2537 1 1 8 THR H H -0.101 1.258 -2.023 1.00 . A A . 7 THR H 1 1
14 2538 1 1 8 THR HA H -2.377 1.701 -3.838 1.00 . A A . 7 THR HA 1 1
14 2539 1 1 8 THR HB H -2.943 0.248 -1.966 1.00 . A A . 7 THR HB 1 1
14 2540 1 1 8 THR HG1 H -4.664 1.474 -2.529 1.00 . A A . 7 THR HG1 1 1
14 2541 1 1 8 THR HG21 H -2.870 0.987 0.330 1.00 . A A . 7 THR HG21 1 1
14 2542 1 1 8 THR HG22 H -2.246 2.561 -0.158 1.00 . A A . 7 THR HG22 1 1
14 2543 1 1 8 THR HG23 H -1.257 1.117 -0.368 1.00 . A A . 7 THR HG23 1 1
14 2544 1 1 8 THR N N -0.596 1.315 -2.869 1.00 . A A . 7 THR N 1 1
14 2545 1 1 8 THR O O -0.779 3.947 -2.370 1.00 . A A . 7 THR O 1 1
14 2546 1 1 8 THR OG1 O -4.143 1.908 -1.850 1.00 . A A . 7 THR OG1 1 1
14 2547 1 1 9 DBU C C -3.438 6.201 -1.664 1.00 . A A . 8 DBU C 1 1
14 2548 1 1 9 DBU CA C -3.050 5.554 -2.936 1.00 . A A . 8 DBU CA 1 1
14 2549 1 1 9 DBU CB C -2.804 6.271 -4.020 1.00 . A A . 8 DBU CB 1 1
14 2550 1 1 9 DBU CG C -2.389 5.624 -5.349 1.00 . A A . 8 DBU CG 1 1
14 2551 1 1 9 DBU HG1 H -1.968 6.374 -6.002 1.00 . A A . 8 DBU HG1 1 1
14 2552 1 1 9 DBU HG2 H -3.254 5.181 -5.819 1.00 . A A . 8 DBU HG2 1 1
14 2553 1 1 9 DBU HG3 H -1.650 4.854 -5.157 1.00 . A A . 8 DBU HG3 1 1
14 2554 1 1 9 DBU N N -2.955 4.096 -2.898 1.00 . A A . 8 DBU N 1 1
14 2555 1 1 10 CYS C C -4.668 5.682 1.632 1.00 . A A . 9 CYS C 1 1
14 2556 1 1 10 CYS CA C -3.877 6.425 0.576 1.00 . A A . 9 CYS CA 1 1
14 2557 1 1 10 CYS CB C -4.700 7.563 -0.018 1.00 . A A . 9 CYS CB 1 1
14 2558 1 1 10 CYS HA H -2.992 6.848 1.034 1.00 . A A . 9 CYS HA 1 1
14 2559 1 1 10 CYS HB2 H -5.735 7.258 -0.135 1.00 . A A . 9 CYS HB2 1 1
14 2560 1 1 10 CYS HB3 H -4.625 8.447 0.588 1.00 . A A . 9 CYS HB3 1 1
14 2561 1 1 10 CYS N N -3.454 5.562 -0.528 1.00 . A A . 9 CYS N 1 1
14 2562 1 1 10 CYS O O -5.486 6.309 2.306 1.00 . A A . 9 CYS O 1 1
14 2563 1 1 10 CYS SG S -3.922 7.864 -1.612 1.00 . A A . 9 CYS SG 1 1
14 2564 1 1 11 . C C -3.986 2.994 3.730 1.00 . A A . 10 TS9 C 1 1
14 2565 1 1 11 . CA C -5.067 3.588 2.827 1.00 . A A . 10 TS9 CA 1 1
14 2566 1 1 11 . CB C -5.969 2.460 2.213 1.00 . A A . 10 TS9 CB 1 1
14 2567 1 1 11 . CD1 C -7.810 2.170 0.382 1.00 . A A . 10 TS9 CD1 1 1
14 2568 1 1 11 . CG1 C -6.911 3.128 1.153 1.00 . A A . 10 TS9 CG1 1 1
14 2569 1 1 11 . CG2 C -6.768 1.783 3.281 1.00 . A A . 10 TS9 CG2 1 1
14 2570 1 1 11 . H H -3.815 3.937 1.157 1.00 . A A . 10 TS9 H 1 1
14 2571 1 1 11 . HA H -5.685 4.253 3.411 1.00 . A A . 10 TS9 HA 1 1
14 2572 1 1 11 . HD11 H -8.327 2.710 -0.397 1.00 . A A . 10 TS9 HD11 1 1
14 2573 1 1 11 . HD12 H -8.532 1.732 1.056 1.00 . A A . 10 TS9 HD12 1 1
14 2574 1 1 11 . HD13 H -7.209 1.389 -0.058 1.00 . A A . 10 TS9 HD13 1 1
14 2575 1 1 11 . HD2 H -8.344 3.588 2.432 1.00 . A A . 10 TS9 HD2 1 1
14 2576 1 1 11 . HG1 H -6.314 3.670 0.438 1.00 . A A . 10 TS9 HG1 1 1
14 2577 1 1 11 . HG21 H -7.382 1.012 2.839 1.00 . A A . 10 TS9 HG21 1 1
14 2578 1 1 11 . HG22 H -7.401 2.508 3.774 1.00 . A A . 10 TS9 HG22 1 1
14 2579 1 1 11 . HG23 H -6.103 1.338 4.006 1.00 . A A . 10 TS9 HG23 1 1
14 2580 1 1 11 . HG3 H -4.827 0.869 2.204 1.00 . A A . 10 TS9 HG3 1 1
14 2581 1 1 11 . N N -4.433 4.379 1.776 1.00 . A A . 10 TS9 N 1 1
14 2582 1 1 11 . OD2 O -7.726 4.064 1.872 1.00 . A A . 10 TS9 OD2 1 1
14 2583 1 1 11 . OG3 O -5.144 1.510 1.563 1.00 . A A . 10 TS9 OG3 1 1
14 2584 1 1 12 . C C -0.826 1.391 4.172 1.00 . A A . 11 BB9 C 1 1
14 2585 1 1 12 . CA C -2.119 2.025 4.346 1.00 . A A . 11 BB9 CA 1 1
14 2586 1 1 12 . CB C -2.696 2.238 5.636 1.00 . A A . 11 BB9 CB 1 1
14 2587 1 1 12 . HB H -2.250 1.961 6.580 1.00 . A A . 11 BB9 HB 1 1
14 2588 1 1 12 . N N -2.878 2.464 3.317 1.00 . A A . 11 BB9 N 1 1
14 2589 1 1 12 . O O -0.117 0.995 5.098 1.00 . A A . 11 BB9 O 1 1
14 2590 1 1 12 . SG S -4.187 2.996 5.438 1.00 . A A . 11 BB9 SG 1 1
14 2591 1 1 13 THR C C 1.425 1.482 1.345 1.00 . A A . 12 THR C 1 1
14 2592 1 1 13 THR CA C 0.824 0.704 2.513 1.00 . A A . 12 THR CA 1 1
14 2593 1 1 13 THR CB C 0.720 -0.797 2.173 1.00 . A A . 12 THR CB 1 1
14 2594 1 1 13 THR CG2 C 0.507 -1.630 3.424 1.00 . A A . 12 THR CG2 1 1
14 2595 1 1 13 THR H H -1.093 1.554 2.193 1.00 . A A . 12 THR H 1 1
14 2596 1 1 13 THR HA H 1.481 0.800 3.365 1.00 . A A . 12 THR HA 1 1
14 2597 1 1 13 THR HB H 1.631 -1.120 1.689 1.00 . A A . 12 THR HB 1 1
14 2598 1 1 13 THR HG21 H 0.505 -2.677 3.162 1.00 . A A . 12 THR HG21 1 1
14 2599 1 1 13 THR HG22 H -0.440 -1.370 3.872 1.00 . A A . 12 THR HG22 1 1
14 2600 1 1 13 THR HG23 H 1.304 -1.436 4.126 1.00 . A A . 12 THR HG23 1 1
14 2601 1 1 13 THR N N -0.471 1.265 2.894 1.00 . A A . 12 THR N 1 1
14 2602 1 1 13 THR OG1 O -0.450 -1.055 1.297 1.00 . A A . 12 THR OG1 1 1
14 2603 1 1 14 . C C 4.154 1.975 -0.943 1.00 . A A . 13 BB9 C 1 1
14 2604 1 1 14 . CA C 2.850 2.094 -0.204 1.00 . A A . 13 BB9 CA 1 1
14 2605 1 1 14 . CB C 1.815 3.048 -0.461 1.00 . A A . 13 BB9 CB 1 1
14 2606 1 1 14 . HB H 1.835 3.807 -1.226 1.00 . A A . 13 BB9 HB 1 1
14 2607 1 1 14 . N N 2.581 1.245 0.813 1.00 . A A . 13 BB9 N 1 1
14 2608 1 1 14 . SG S 0.561 2.785 0.632 1.00 . A A . 13 BB9 SG 1 1
14 2609 1 1 15 . C C 7.281 1.767 1.054 1.00 . A A . 14 MH6 C 1 1
14 2610 1 1 15 . CA C 6.332 1.583 -0.065 1.00 . A A . 14 MH6 CA 1 1
14 2611 1 1 15 . CB C 6.815 0.833 -1.238 1.00 . A A . 14 MH6 CB 1 1
14 2612 1 1 15 . HB2 H 7.047 -0.177 -0.938 1.00 . A A . 14 MH6 HB2 1 1
14 2613 1 1 15 . HB3 H 7.712 1.300 -1.621 1.00 . A A . 14 MH6 HB3 1 1
14 2614 1 1 15 . N N 5.170 2.103 0.110 1.00 . A A . 14 MH6 N 1 1
14 2615 1 1 16 . C C 10.505 1.231 2.475 1.00 . A A . 15 BB9 C 1 1
14 2616 1 1 16 . CA C 9.135 1.619 2.203 1.00 . A A . 15 BB9 CA 1 1
14 2617 1 1 16 . CB C 8.352 2.369 3.137 1.00 . A A . 15 BB9 CB 1 1
14 2618 1 1 16 . HB H 8.683 2.713 4.106 1.00 . A A . 15 BB9 HB 1 1
14 2619 1 1 16 . N N 8.489 1.310 1.055 1.00 . A A . 15 BB9 N 1 1
14 2620 1 1 16 . O O 11.107 1.500 3.512 1.00 . A A . 15 BB9 O 1 1
14 2621 1 1 16 . SG S 6.826 2.626 2.471 1.00 . A A . 15 BB9 SG 1 1
14 2622 1 1 17 DHA C C 12.690 -0.747 0.202 1.00 . A A . 16 DHA C 1 1
14 2623 1 1 17 DHA CA C 12.425 0.015 1.410 1.00 . A A . 16 DHA CA 1 1
14 2624 1 1 17 DHA CB C 13.364 0.186 2.330 1.00 . A A . 16 DHA CB 1 1
14 2625 1 1 17 DHA H H 10.469 0.366 0.698 1.00 . A A . 16 DHA H 1 1
14 2626 1 1 17 DHA HB1 H 14.344 -0.243 2.186 1.00 . A A . 16 DHA HB1 1 1
14 2627 1 1 17 DHA HB2 H 13.154 0.755 3.222 1.00 . A A . 16 DHA HB2 1 1
14 2628 1 1 17 DHA N N 11.048 0.541 1.468 1.00 . A A . 16 DHA N 1 1
14 2629 1 1 17 DHA O O 11.771 -0.864 -0.609 1.00 . A A . 16 DHA O 1 1
14 2630 1 1 18 NH2 HN1 H 14.065 -1.793 -0.807 1.00 . A A . 17 NH2 HN1 1 1
14 2631 1 1 18 NH2 HN2 H 14.587 -1.156 0.688 1.00 . A A . 17 NH2 HN2 1 1
14 2632 1 1 18 NH2 N N 13.891 -1.281 0.010 1.00 . A A . 17 NH2 N 1 1
15 2633 1 1 1 QUA C10 C -3.673 -2.464 -2.088 1.00 . A A . 0 QUA C10 1 1
15 2634 1 1 1 QUA C11 C -0.175 -1.345 0.042 1.00 . A A . 0 QUA C11 1 1
15 2635 1 1 1 QUA C13 C -2.330 -2.826 -4.220 1.00 . A A . 0 QUA C13 1 1
15 2636 1 1 1 QUA C14 C -2.343 -4.346 -4.352 1.00 . A A . 0 QUA C14 1 1
15 2637 1 1 1 QUA C2 C -1.425 -1.737 -0.687 1.00 . A A . 0 QUA C2 1 1
15 2638 1 1 1 QUA C3 C -1.298 -2.072 -2.031 1.00 . A A . 0 QUA C3 1 1
15 2639 1 1 1 QUA C4 C -2.439 -2.441 -2.747 1.00 . A A . 0 QUA C4 1 1
15 2640 1 1 1 QUA C5 C -4.931 -2.829 -2.765 1.00 . A A . 0 QUA C5 1 1
15 2641 1 1 1 QUA C6 C -5.980 -3.180 -2.099 1.00 . A A . 0 QUA C6 1 1
15 2642 1 1 1 QUA C7 C -5.962 -3.250 -0.575 1.00 . A A . 0 QUA C7 1 1
15 2643 1 1 1 QUA C8 C -5.032 -2.151 0.011 1.00 . A A . 0 QUA C8 1 1
15 2644 1 1 1 QUA C9 C -3.706 -2.119 -0.745 1.00 . A A . 0 QUA C9 1 1
15 2645 1 1 1 QUA H13 H -3.174 -2.430 -4.761 1.00 . A A . 0 QUA H13 1 1
15 2646 1 1 1 QUA H141 H -3.125 -4.759 -3.725 1.00 . A A . 0 QUA H141 1 1
15 2647 1 1 1 QUA H142 H -1.388 -4.742 -4.041 1.00 . A A . 0 QUA H142 1 1
15 2648 1 1 1 QUA H143 H -2.527 -4.616 -5.381 1.00 . A A . 0 QUA H143 1 1
15 2649 1 1 1 QUA H15 H -1.343 -1.802 -5.589 1.00 . A A . 0 QUA H15 1 1
15 2650 1 1 1 QUA H16 H -6.633 -1.014 -0.191 1.00 . A A . 0 QUA H16 1 1
15 2651 1 1 1 QUA HC3 H -0.333 -2.044 -2.514 1.00 . A A . 0 QUA HC3 1 1
15 2652 1 1 1 QUA HC5 H -4.986 -2.794 -3.841 1.00 . A A . 0 QUA HC5 1 1
15 2653 1 1 1 QUA HC6 H -6.881 -3.434 -2.634 1.00 . A A . 0 QUA HC6 1 1
15 2654 1 1 1 QUA HC71 H -6.959 -3.129 -0.184 1.00 . A A . 0 QUA HC71 1 1
15 2655 1 1 1 QUA HC8 H -4.847 -2.382 1.048 1.00 . A A . 0 QUA HC8 1 1
15 2656 1 1 1 QUA N1 N -2.613 -1.753 -0.017 1.00 . A A . 0 QUA N1 1 1
15 2657 1 1 1 QUA O12 O 0.938 -1.335 -0.486 1.00 . A A . 0 QUA O12 1 1
15 2658 1 1 1 QUA O15 O -1.127 -2.307 -4.802 1.00 . A A . 0 QUA O15 1 1
15 2659 1 1 1 QUA O16 O -5.691 -0.880 -0.062 1.00 . A A . 0 QUA O16 1 1
15 2660 1 1 2 ILE C C -4.449 -5.082 1.953 1.00 . A A . 1 ILE C 1 1
15 2661 1 1 2 ILE CA C -5.734 -5.062 1.133 1.00 . A A . 1 ILE CA 1 1
15 2662 1 1 2 ILE CB C -6.384 -6.470 1.161 1.00 . A A . 1 ILE CB 1 1
15 2663 1 1 2 ILE CD1 C -5.181 -7.293 -0.984 1.00 . A A . 1 ILE CD1 1 1
15 2664 1 1 2 ILE CG1 C -5.489 -7.537 0.488 1.00 . A A . 1 ILE CG1 1 1
15 2665 1 1 2 ILE CG2 C -7.757 -6.430 0.508 1.00 . A A . 1 ILE CG2 1 1
15 2666 1 1 2 ILE H H -4.503 -4.663 -0.431 1.00 . A A . 1 ILE H 1 1
15 2667 1 1 2 ILE HA H -6.424 -4.361 1.582 1.00 . A A . 1 ILE HA 1 1
15 2668 1 1 2 ILE HB H -6.526 -6.742 2.198 1.00 . A A . 1 ILE HB 1 1
15 2669 1 1 2 ILE HD11 H -4.808 -8.204 -1.426 1.00 . A A . 1 ILE HD11 1 1
15 2670 1 1 2 ILE HD12 H -4.430 -6.519 -1.078 1.00 . A A . 1 ILE HD12 1 1
15 2671 1 1 2 ILE HD13 H -6.078 -6.986 -1.499 1.00 . A A . 1 ILE HD13 1 1
15 2672 1 1 2 ILE HG12 H -4.548 -7.588 1.011 1.00 . A A . 1 ILE HG12 1 1
15 2673 1 1 2 ILE HG13 H -5.981 -8.495 0.564 1.00 . A A . 1 ILE HG13 1 1
15 2674 1 1 2 ILE HG21 H -7.680 -5.975 -0.468 1.00 . A A . 1 ILE HG21 1 1
15 2675 1 1 2 ILE HG22 H -8.431 -5.850 1.122 1.00 . A A . 1 ILE HG22 1 1
15 2676 1 1 2 ILE HG23 H -8.137 -7.435 0.408 1.00 . A A . 1 ILE HG23 1 1
15 2677 1 1 2 ILE N N -5.466 -4.621 -0.259 1.00 . A A . 1 ILE N 1 1
15 2678 1 1 2 ILE O O -4.442 -4.726 3.132 1.00 . A A . 1 ILE O 1 1
15 2679 1 1 3 ALA C C -0.960 -5.806 0.921 1.00 . A A . 2 ALA C 1 1
15 2680 1 1 3 ALA CA C -2.055 -5.564 1.953 1.00 . A A . 2 ALA CA 1 1
15 2681 1 1 3 ALA CB C -2.036 -6.661 3.009 1.00 . A A . 2 ALA CB 1 1
15 2682 1 1 3 ALA H H -3.441 -5.772 0.371 1.00 . A A . 2 ALA H 1 1
15 2683 1 1 3 ALA HA H -1.875 -4.619 2.443 1.00 . A A . 2 ALA HA 1 1
15 2684 1 1 3 ALA HB1 H -2.780 -6.449 3.763 1.00 . A A . 2 ALA HB1 1 1
15 2685 1 1 3 ALA HB2 H -1.059 -6.702 3.468 1.00 . A A . 2 ALA HB2 1 1
15 2686 1 1 3 ALA HB3 H -2.256 -7.611 2.545 1.00 . A A . 2 ALA HB3 1 1
15 2687 1 1 3 ALA N N -3.361 -5.499 1.309 1.00 . A A . 2 ALA N 1 1
15 2688 1 1 3 ALA O O -0.956 -6.832 0.241 1.00 . A A . 2 ALA O 1 1
15 2689 1 1 4 DHA C C 2.128 -3.917 0.310 1.00 . A A . 3 DHA C 1 1
15 2690 1 1 4 DHA CA C 1.104 -4.848 -0.103 1.00 . A A . 3 DHA CA 1 1
15 2691 1 1 4 DHA CB C 1.237 -5.593 -1.188 1.00 . A A . 3 DHA CB 1 1
15 2692 1 1 4 DHA H H -0.101 -4.096 1.436 1.00 . A A . 3 DHA H 1 1
15 2693 1 1 4 DHA HB1 H 0.462 -6.288 -1.467 1.00 . A A . 3 DHA HB1 1 1
15 2694 1 1 4 DHA HB2 H 2.129 -5.512 -1.793 1.00 . A A . 3 DHA HB2 1 1
15 2695 1 1 4 DHA N N -0.030 -4.856 0.821 1.00 . A A . 3 DHA N 1 1
15 2696 1 1 4 DHA O O 1.925 -3.294 1.348 1.00 . A A . 3 DHA O 1 1
15 2697 1 1 5 ALA C C 4.450 -1.762 -1.144 1.00 . A A . 4 ALA C 1 1
15 2698 1 1 5 ALA CA C 4.239 -2.800 -0.051 1.00 . A A . 4 ALA CA 1 1
15 2699 1 1 5 ALA CB C 5.523 -3.544 0.257 1.00 . A A . 4 ALA CB 1 1
15 2700 1 1 5 ALA H H 3.315 -4.272 -1.253 1.00 . A A . 4 ALA H 1 1
15 2701 1 1 5 ALA HA H 3.919 -2.297 0.849 1.00 . A A . 4 ALA HA 1 1
15 2702 1 1 5 ALA HB1 H 6.254 -2.854 0.649 1.00 . A A . 4 ALA HB1 1 1
15 2703 1 1 5 ALA HB2 H 5.900 -4.000 -0.646 1.00 . A A . 4 ALA HB2 1 1
15 2704 1 1 5 ALA HB3 H 5.317 -4.310 0.990 1.00 . A A . 4 ALA HB3 1 1
15 2705 1 1 5 ALA N N 3.207 -3.749 -0.431 1.00 . A A . 4 ALA N 1 1
15 2706 1 1 5 ALA O O 4.820 -2.101 -2.268 1.00 . A A . 4 ALA O 1 1
15 2707 1 1 6 SER C C 3.238 0.482 -2.825 1.00 . A A . 5 SER C 1 1
15 2708 1 1 6 SER CA C 4.284 0.613 -1.816 1.00 . A A . 5 SER CA 1 1
15 2709 1 1 6 SER CB C 5.710 0.691 -2.433 1.00 . A A . 5 SER CB 1 1
15 2710 1 1 6 SER H H 3.961 -0.289 0.125 1.00 . A A . 5 SER H 1 1
15 2711 1 1 6 SER HB2 H 5.890 -0.176 -3.050 1.00 . A A . 5 SER HB2 1 1
15 2712 1 1 6 SER HB3 H 5.795 1.584 -3.034 1.00 . A A . 5 SER HB3 1 1
15 2713 1 1 6 SER N N 4.201 -0.495 -0.802 1.00 . A A . 5 SER N 1 1
15 2714 1 1 7 . C C -0.138 0.859 -3.939 1.00 . A A . 6 BB9 C 1 1
15 2715 1 1 7 . CA C 1.276 0.568 -3.818 1.00 . A A . 6 BB9 CA 1 1
15 2716 1 1 7 . CB C 2.034 -0.004 -4.883 1.00 . A A . 6 BB9 CB 1 1
15 2717 1 1 7 . HB H 1.650 -0.278 -5.855 1.00 . A A . 6 BB9 HB 1 1
15 2718 1 1 7 . N N 1.992 0.818 -2.701 1.00 . A A . 6 BB9 N 1 1
15 2719 1 1 7 . O O -0.801 0.670 -4.960 1.00 . A A . 6 BB9 O 1 1
15 2720 1 1 7 . SG S 3.626 -0.184 -4.367 1.00 . A A . 6 BB9 SG 1 1
15 2721 1 1 8 THR C C -1.908 3.436 -2.619 1.00 . A A . 7 THR C 1 1
15 2722 1 1 8 THR CA C -2.002 1.926 -2.791 1.00 . A A . 7 THR CA 1 1
15 2723 1 1 8 THR CB C -2.887 1.333 -1.674 1.00 . A A . 7 THR CB 1 1
15 2724 1 1 8 THR CG2 C -2.256 1.519 -0.303 1.00 . A A . 7 THR CG2 1 1
15 2725 1 1 8 THR H H -0.153 1.286 -1.980 1.00 . A A . 7 THR H 1 1
15 2726 1 1 8 THR HA H -2.473 1.716 -3.741 1.00 . A A . 7 THR HA 1 1
15 2727 1 1 8 THR HB H -3.005 0.276 -1.858 1.00 . A A . 7 THR HB 1 1
15 2728 1 1 8 THR HG1 H -4.197 2.678 -1.067 1.00 . A A . 7 THR HG1 1 1
15 2729 1 1 8 THR HG21 H -2.824 0.971 0.433 1.00 . A A . 7 THR HG21 1 1
15 2730 1 1 8 THR HG22 H -2.252 2.568 -0.046 1.00 . A A . 7 THR HG22 1 1
15 2731 1 1 8 THR HG23 H -1.243 1.150 -0.322 1.00 . A A . 7 THR HG23 1 1
15 2732 1 1 8 THR N N -0.667 1.336 -2.813 1.00 . A A . 7 THR N 1 1
15 2733 1 1 8 THR O O -0.843 3.971 -2.311 1.00 . A A . 7 THR O 1 1
15 2734 1 1 8 THR OG1 O -4.180 1.951 -1.693 1.00 . A A . 7 THR OG1 1 1
15 2735 1 1 9 DBU C C -3.472 6.232 -1.590 1.00 . A A . 8 DBU C 1 1
15 2736 1 1 9 DBU CA C -3.117 5.575 -2.868 1.00 . A A . 8 DBU CA 1 1
15 2737 1 1 9 DBU CB C -2.897 6.283 -3.962 1.00 . A A . 8 DBU CB 1 1
15 2738 1 1 9 DBU CG C -2.516 5.625 -5.296 1.00 . A A . 8 DBU CG 1 1
15 2739 1 1 9 DBU HG1 H -1.764 4.864 -5.117 1.00 . A A . 8 DBU HG1 1 1
15 2740 1 1 9 DBU HG2 H -2.119 6.372 -5.968 1.00 . A A . 8 DBU HG2 1 1
15 2741 1 1 9 DBU HG3 H -3.390 5.170 -5.737 1.00 . A A . 8 DBU HG3 1 1
15 2742 1 1 9 DBU N N -3.024 4.118 -2.820 1.00 . A A . 8 DBU N 1 1
15 2743 1 1 10 CYS C C -4.587 5.715 1.738 1.00 . A A . 9 CYS C 1 1
15 2744 1 1 10 CYS CA C -3.837 6.465 0.660 1.00 . A A . 9 CYS CA 1 1
15 2745 1 1 10 CYS CB C -4.689 7.594 0.090 1.00 . A A . 9 CYS CB 1 1
15 2746 1 1 10 CYS HA H -2.943 6.897 1.092 1.00 . A A . 9 CYS HA 1 1
15 2747 1 1 10 CYS HB2 H -5.726 7.283 0.017 1.00 . A A . 9 CYS HB2 1 1
15 2748 1 1 10 CYS HB3 H -4.594 8.483 0.687 1.00 . A A . 9 CYS HB3 1 1
15 2749 1 1 10 CYS N N -3.440 5.601 -0.452 1.00 . A A . 9 CYS N 1 1
15 2750 1 1 10 CYS O O -5.215 6.359 2.579 1.00 . A A . 9 CYS O 1 1
15 2751 1 1 10 CYS SG S -3.976 7.888 -1.536 1.00 . A A . 9 CYS SG 1 1
15 2752 1 1 11 . C C -3.973 3.087 3.699 1.00 . A A . 10 TS9 C 1 1
15 2753 1 1 11 . CA C -5.097 3.567 2.781 1.00 . A A . 10 TS9 CA 1 1
15 2754 1 1 11 . CB C -5.896 2.357 2.182 1.00 . A A . 10 TS9 CB 1 1
15 2755 1 1 11 . CD1 C -7.647 1.901 0.303 1.00 . A A . 10 TS9 CD1 1 1
15 2756 1 1 11 . CG1 C -6.947 2.934 1.172 1.00 . A A . 10 TS9 CG1 1 1
15 2757 1 1 11 . CG2 C -6.576 1.580 3.266 1.00 . A A . 10 TS9 CG2 1 1
15 2758 1 1 11 . H H -4.086 3.943 0.963 1.00 . A A . 10 TS9 H 1 1
15 2759 1 1 11 . HA H -5.775 4.188 3.347 1.00 . A A . 10 TS9 HA 1 1
15 2760 1 1 11 . HD11 H -8.317 2.400 -0.381 1.00 . A A . 10 TS9 HD11 1 1
15 2761 1 1 11 . HD12 H -8.210 1.224 0.929 1.00 . A A . 10 TS9 HD12 1 1
15 2762 1 1 11 . HD13 H -6.911 1.343 -0.258 1.00 . A A . 10 TS9 HD13 1 1
15 2763 1 1 11 . HD2 H -8.798 3.296 1.754 1.00 . A A . 10 TS9 HD2 1 1
15 2764 1 1 11 . HG1 H -6.460 3.643 0.520 1.00 . A A . 10 TS9 HG1 1 1
15 2765 1 1 11 . HG21 H -7.186 0.806 2.826 1.00 . A A . 10 TS9 HG21 1 1
15 2766 1 1 11 . HG22 H -7.199 2.244 3.847 1.00 . A A . 10 TS9 HG22 1 1
15 2767 1 1 11 . HG23 H -5.835 1.130 3.908 1.00 . A A . 10 TS9 HG23 1 1
15 2768 1 1 11 . HG3 H -4.484 2.033 0.865 1.00 . A A . 10 TS9 HG3 1 1
15 2769 1 1 11 . N N -4.526 4.386 1.717 1.00 . A A . 10 TS9 N 1 1
15 2770 1 1 11 . OD2 O -7.922 3.631 1.960 1.00 . A A . 10 TS9 OD2 1 1
15 2771 1 1 11 . OG3 O -4.999 1.511 1.485 1.00 . A A . 10 TS9 OG3 1 1
15 2772 1 1 12 . C C -0.765 1.595 4.176 1.00 . A A . 11 BB9 C 1 1
15 2773 1 1 12 . CA C -2.064 2.219 4.337 1.00 . A A . 11 BB9 CA 1 1
15 2774 1 1 12 . CB C -2.599 2.551 5.621 1.00 . A A . 11 BB9 CB 1 1
15 2775 1 1 12 . HB H -2.112 2.378 6.570 1.00 . A A . 11 BB9 HB 1 1
15 2776 1 1 12 . N N -2.871 2.540 3.300 1.00 . A A . 11 BB9 N 1 1
15 2777 1 1 12 . O O -0.015 1.304 5.107 1.00 . A A . 11 BB9 O 1 1
15 2778 1 1 12 . SG S -4.113 3.256 5.406 1.00 . A A . 11 BB9 SG 1 1
15 2779 1 1 13 THR C C 1.437 1.527 1.342 1.00 . A A . 12 THR C 1 1
15 2780 1 1 13 THR CA C 0.834 0.773 2.526 1.00 . A A . 12 THR CA 1 1
15 2781 1 1 13 THR CB C 0.710 -0.733 2.213 1.00 . A A . 12 THR CB 1 1
15 2782 1 1 13 THR CG2 C 0.433 -1.533 3.472 1.00 . A A . 12 THR CG2 1 1
15 2783 1 1 13 THR H H -1.103 1.575 2.201 1.00 . A A . 12 THR H 1 1
15 2784 1 1 13 THR HA H 1.495 0.876 3.373 1.00 . A A . 12 THR HA 1 1
15 2785 1 1 13 THR HB H 1.632 -1.085 1.770 1.00 . A A . 12 THR HB 1 1
15 2786 1 1 13 THR HG21 H 1.220 -1.360 4.189 1.00 . A A . 12 THR HG21 1 1
15 2787 1 1 13 THR HG22 H 0.394 -2.584 3.227 1.00 . A A . 12 THR HG22 1 1
15 2788 1 1 13 THR HG23 H -0.513 -1.226 3.893 1.00 . A A . 12 THR HG23 1 1
15 2789 1 1 13 THR N N -0.454 1.356 2.902 1.00 . A A . 12 THR N 1 1
15 2790 1 1 13 THR OG1 O -0.433 -0.989 1.300 1.00 . A A . 12 THR OG1 1 1
15 2791 1 1 14 . C C 4.142 1.940 -0.989 1.00 . A A . 13 BB9 C 1 1
15 2792 1 1 14 . CA C 2.852 2.094 -0.232 1.00 . A A . 13 BB9 CA 1 1
15 2793 1 1 14 . CB C 1.834 3.066 -0.483 1.00 . A A . 13 BB9 CB 1 1
15 2794 1 1 14 . HB H 1.858 3.818 -1.257 1.00 . A A . 13 BB9 HB 1 1
15 2795 1 1 14 . N N 2.581 1.260 0.798 1.00 . A A . 13 BB9 N 1 1
15 2796 1 1 14 . SG S 0.590 2.841 0.628 1.00 . A A . 13 BB9 SG 1 1
15 2797 1 1 15 . C C 7.312 1.667 0.941 1.00 . A A . 14 MH6 C 1 1
15 2798 1 1 15 . CA C 6.330 1.504 -0.153 1.00 . A A . 14 MH6 CA 1 1
15 2799 1 1 15 . CB C 6.767 0.734 -1.331 1.00 . A A . 14 MH6 CB 1 1
15 2800 1 1 15 . HB2 H 6.984 -0.277 -1.027 1.00 . A A . 14 MH6 HB2 1 1
15 2801 1 1 15 . HB3 H 7.664 1.178 -1.739 1.00 . A A . 14 MH6 HB3 1 1
15 2802 1 1 15 . N N 5.182 2.053 0.045 1.00 . A A . 14 MH6 N 1 1
15 2803 1 1 16 . C C 10.562 1.040 2.261 1.00 . A A . 15 BB9 C 1 1
15 2804 1 1 16 . CA C 9.196 1.469 2.033 1.00 . A A . 15 BB9 CA 1 1
15 2805 1 1 16 . CB C 8.464 2.243 2.988 1.00 . A A . 15 BB9 CB 1 1
15 2806 1 1 16 . HB H 8.834 2.580 3.945 1.00 . A A . 15 BB9 HB 1 1
15 2807 1 1 16 . N N 8.506 1.176 0.909 1.00 . A A . 15 BB9 N 1 1
15 2808 1 1 16 . O O 11.209 1.299 3.273 1.00 . A A . 15 BB9 O 1 1
15 2809 1 1 16 . SG S 6.925 2.543 2.369 1.00 . A A . 15 BB9 SG 1 1
15 2810 1 1 17 DHA C C 12.610 -1.010 -0.082 1.00 . A A . 16 DHA C 1 1
15 2811 1 1 17 DHA CA C 12.396 -0.267 1.151 1.00 . A A . 16 DHA CA 1 1
15 2812 1 1 17 DHA CB C 13.354 -0.162 2.060 1.00 . A A . 16 DHA CB 1 1
15 2813 1 1 17 DHA H H 10.439 0.168 0.490 1.00 . A A . 16 DHA H 1 1
15 2814 1 1 17 DHA HB1 H 14.311 -0.633 1.890 1.00 . A A . 16 DHA HB1 1 1
15 2815 1 1 17 DHA HB2 H 13.183 0.391 2.969 1.00 . A A . 16 DHA HB2 1 1
15 2816 1 1 17 DHA N N 11.046 0.320 1.245 1.00 . A A . 16 DHA N 1 1
15 2817 1 1 17 DHA O O 11.676 -1.064 -0.882 1.00 . A A . 16 DHA O 1 1
15 2818 1 1 18 NH2 HN1 H 13.923 -2.093 -1.134 1.00 . A A . 17 NH2 HN1 1 1
15 2819 1 1 18 NH2 HN2 H 14.492 -1.519 0.370 1.00 . A A . 17 NH2 HN2 1 1
15 2820 1 1 18 NH2 N N 13.783 -1.594 -0.302 1.00 . A A . 17 NH2 N 1 1
16 2821 1 1 1 QUA C10 C -3.749 -2.422 -2.037 1.00 . A A . 0 QUA C10 1 1
16 2822 1 1 1 QUA C11 C -0.194 -1.380 0.031 1.00 . A A . 0 QUA C11 1 1
16 2823 1 1 1 QUA C13 C -2.453 -2.790 -4.198 1.00 . A A . 0 QUA C13 1 1
16 2824 1 1 1 QUA C14 C -2.513 -4.308 -4.343 1.00 . A A . 0 QUA C14 1 1
16 2825 1 1 1 QUA C2 C -1.464 -1.746 -0.676 1.00 . A A . 0 QUA C2 1 1
16 2826 1 1 1 QUA C3 C -1.367 -2.072 -2.023 1.00 . A A . 0 QUA C3 1 1
16 2827 1 1 1 QUA C4 C -2.528 -2.416 -2.720 1.00 . A A . 0 QUA C4 1 1
16 2828 1 1 1 QUA C5 C -5.027 -2.760 -2.692 1.00 . A A . 0 QUA C5 1 1
16 2829 1 1 1 QUA C6 C -6.068 -3.100 -2.006 1.00 . A A . 0 QUA C6 1 1
16 2830 1 1 1 QUA C7 C -6.020 -3.183 -0.482 1.00 . A A . 0 QUA C7 1 1
16 2831 1 1 1 QUA C8 C -5.061 -2.100 0.089 1.00 . A A . 0 QUA C8 1 1
16 2832 1 1 1 QUA C9 C -3.750 -2.085 -0.692 1.00 . A A . 0 QUA C9 1 1
16 2833 1 1 1 QUA H13 H -3.295 -2.366 -4.723 1.00 . A A . 0 QUA H13 1 1
16 2834 1 1 1 QUA H141 H -1.563 -4.733 -4.056 1.00 . A A . 0 QUA H141 1 1
16 2835 1 1 1 QUA H142 H -2.727 -4.564 -5.370 1.00 . A A . 0 QUA H142 1 1
16 2836 1 1 1 QUA H143 H -3.291 -4.704 -3.701 1.00 . A A . 0 QUA H143 1 1
16 2837 1 1 1 QUA H15 H -1.065 -2.794 -5.601 1.00 . A A . 0 QUA H15 1 1
16 2838 1 1 1 QUA H16 H -5.495 -0.394 -0.804 1.00 . A A . 0 QUA H16 1 1
16 2839 1 1 1 QUA HC3 H -0.411 -2.058 -2.525 1.00 . A A . 0 QUA HC3 1 1
16 2840 1 1 1 QUA HC5 H -5.104 -2.718 -3.766 1.00 . A A . 0 QUA HC5 1 1
16 2841 1 1 1 QUA HC6 H -6.983 -3.336 -2.524 1.00 . A A . 0 QUA HC6 1 1
16 2842 1 1 1 QUA HC71 H -7.006 -3.050 -0.071 1.00 . A A . 0 QUA HC71 1 1
16 2843 1 1 1 QUA HC8 H -4.861 -2.338 1.123 1.00 . A A . 0 QUA HC8 1 1
16 2844 1 1 1 QUA N1 N -2.638 -1.745 0.016 1.00 . A A . 0 QUA N1 1 1
16 2845 1 1 1 QUA O12 O 0.907 -1.375 -0.521 1.00 . A A . 0 QUA O12 1 1
16 2846 1 1 1 QUA O15 O -1.246 -2.302 -4.797 1.00 . A A . 0 QUA O15 1 1
16 2847 1 1 1 QUA O16 O -5.702 -0.819 0.032 1.00 . A A . 0 QUA O16 1 1
16 2848 1 1 2 ILE C C -4.435 -5.024 1.987 1.00 . A A . 1 ILE C 1 1
16 2849 1 1 2 ILE CA C -5.753 -4.996 1.219 1.00 . A A . 1 ILE CA 1 1
16 2850 1 1 2 ILE CB C -6.410 -6.397 1.279 1.00 . A A . 1 ILE CB 1 1
16 2851 1 1 2 ILE CD1 C -5.294 -7.226 -0.913 1.00 . A A . 1 ILE CD1 1 1
16 2852 1 1 2 ILE CG1 C -5.553 -7.471 0.568 1.00 . A A . 1 ILE CG1 1 1
16 2853 1 1 2 ILE CG2 C -7.813 -6.347 0.689 1.00 . A A . 1 ILE CG2 1 1
16 2854 1 1 2 ILE H H -4.583 -4.623 -0.399 1.00 . A A . 1 ILE H 1 1
16 2855 1 1 2 ILE HA H -6.418 -4.287 1.691 1.00 . A A . 1 ILE HA 1 1
16 2856 1 1 2 ILE HB H -6.507 -6.667 2.320 1.00 . A A . 1 ILE HB 1 1
16 2857 1 1 2 ILE HD11 H -4.949 -8.139 -1.372 1.00 . A A . 1 ILE HD11 1 1
16 2858 1 1 2 ILE HD12 H -4.537 -6.461 -1.029 1.00 . A A . 1 ILE HD12 1 1
16 2859 1 1 2 ILE HD13 H -6.205 -6.904 -1.394 1.00 . A A . 1 ILE HD13 1 1
16 2860 1 1 2 ILE HG12 H -4.594 -7.536 1.057 1.00 . A A . 1 ILE HG12 1 1
16 2861 1 1 2 ILE HG13 H -6.053 -8.425 0.658 1.00 . A A . 1 ILE HG13 1 1
16 2862 1 1 2 ILE HG21 H -7.774 -5.912 -0.298 1.00 . A A . 1 ILE HG21 1 1
16 2863 1 1 2 ILE HG22 H -8.448 -5.746 1.322 1.00 . A A . 1 ILE HG22 1 1
16 2864 1 1 2 ILE HG23 H -8.213 -7.348 0.625 1.00 . A A . 1 ILE HG23 1 1
16 2865 1 1 2 ILE N N -5.537 -4.562 -0.185 1.00 . A A . 1 ILE N 1 1
16 2866 1 1 2 ILE O O -4.383 -4.685 3.168 1.00 . A A . 1 ILE O 1 1
16 2867 1 1 3 ALA C C -0.981 -5.698 0.810 1.00 . A A . 2 ALA C 1 1
16 2868 1 1 3 ALA CA C -2.042 -5.499 1.888 1.00 . A A . 2 ALA CA 1 1
16 2869 1 1 3 ALA CB C -1.969 -6.626 2.910 1.00 . A A . 2 ALA CB 1 1
16 2870 1 1 3 ALA H H -3.489 -5.697 0.360 1.00 . A A . 2 ALA H 1 1
16 2871 1 1 3 ALA HA H -1.854 -4.566 2.398 1.00 . A A . 2 ALA HA 1 1
16 2872 1 1 3 ALA HB1 H -0.979 -6.660 3.338 1.00 . A A . 2 ALA HB1 1 1
16 2873 1 1 3 ALA HB2 H -2.186 -7.566 2.426 1.00 . A A . 2 ALA HB2 1 1
16 2874 1 1 3 ALA HB3 H -2.693 -6.449 3.693 1.00 . A A . 2 ALA HB3 1 1
16 2875 1 1 3 ALA N N -3.373 -5.432 1.296 1.00 . A A . 2 ALA N 1 1
16 2876 1 1 3 ALA O O -1.048 -6.653 0.036 1.00 . A A . 2 ALA O 1 1
16 2877 1 1 4 DHA C C 2.174 -3.883 0.287 1.00 . A A . 3 DHA C 1 1
16 2878 1 1 4 DHA CA C 1.118 -4.758 -0.165 1.00 . A A . 3 DHA CA 1 1
16 2879 1 1 4 DHA CB C 1.215 -5.437 -1.297 1.00 . A A . 3 DHA CB 1 1
16 2880 1 1 4 DHA H H -0.035 -4.080 1.450 1.00 . A A . 3 DHA H 1 1
16 2881 1 1 4 DHA HB1 H 0.417 -6.091 -1.606 1.00 . A A . 3 DHA HB1 1 1
16 2882 1 1 4 DHA HB2 H 2.100 -5.342 -1.909 1.00 . A A . 3 DHA HB2 1 1
16 2883 1 1 4 DHA N N -0.006 -4.790 0.773 1.00 . A A . 3 DHA N 1 1
16 2884 1 1 4 DHA O O 2.005 -3.315 1.363 1.00 . A A . 3 DHA O 1 1
16 2885 1 1 5 ALA C C 4.539 -1.733 -1.130 1.00 . A A . 4 ALA C 1 1
16 2886 1 1 5 ALA CA C 4.304 -2.788 -0.058 1.00 . A A . 4 ALA CA 1 1
16 2887 1 1 5 ALA CB C 5.568 -3.568 0.235 1.00 . A A . 4 ALA CB 1 1
16 2888 1 1 5 ALA H H 3.337 -4.194 -1.304 1.00 . A A . 4 ALA H 1 1
16 2889 1 1 5 ALA HA H 3.994 -2.296 0.852 1.00 . A A . 4 ALA HA 1 1
16 2890 1 1 5 ALA HB1 H 5.939 -4.007 -0.678 1.00 . A A . 4 ALA HB1 1 1
16 2891 1 1 5 ALA HB2 H 5.342 -4.351 0.945 1.00 . A A . 4 ALA HB2 1 1
16 2892 1 1 5 ALA HB3 H 6.313 -2.907 0.650 1.00 . A A . 4 ALA HB3 1 1
16 2893 1 1 5 ALA N N 3.249 -3.702 -0.461 1.00 . A A . 4 ALA N 1 1
16 2894 1 1 5 ALA O O 4.939 -2.056 -2.249 1.00 . A A . 4 ALA O 1 1
16 2895 1 1 6 SER C C 3.280 0.477 -2.795 1.00 . A A . 5 SER C 1 1
16 2896 1 1 6 SER CA C 4.327 0.641 -1.794 1.00 . A A . 5 SER CA 1 1
16 2897 1 1 6 SER CB C 5.746 0.756 -2.422 1.00 . A A . 5 SER CB 1 1
16 2898 1 1 6 SER H H 4.054 -0.269 0.153 1.00 . A A . 5 SER H 1 1
16 2899 1 1 6 SER HB2 H 5.947 -0.111 -3.032 1.00 . A A . 5 SER HB2 1 1
16 2900 1 1 6 SER HB3 H 5.798 1.645 -3.033 1.00 . A A . 5 SER HB3 1 1
16 2901 1 1 6 SER N N 4.278 -0.470 -0.779 1.00 . A A . 5 SER N 1 1
16 2902 1 1 7 . C C -0.097 0.809 -3.912 1.00 . A A . 6 BB9 C 1 1
16 2903 1 1 7 . CA C 1.318 0.527 -3.787 1.00 . A A . 6 BB9 CA 1 1
16 2904 1 1 7 . CB C 2.075 -0.072 -4.837 1.00 . A A . 6 BB9 CB 1 1
16 2905 1 1 7 . HB H 1.691 -0.374 -5.800 1.00 . A A . 6 BB9 HB 1 1
16 2906 1 1 7 . N N 2.035 0.812 -2.679 1.00 . A A . 6 BB9 N 1 1
16 2907 1 1 7 . O O -0.764 0.587 -4.923 1.00 . A A . 6 BB9 O 1 1
16 2908 1 1 7 . SG S 3.668 -0.231 -4.320 1.00 . A A . 6 BB9 SG 1 1
16 2909 1 1 8 THR C C -1.862 3.426 -2.633 1.00 . A A . 7 THR C 1 1
16 2910 1 1 8 THR CA C -1.954 1.915 -2.791 1.00 . A A . 7 THR CA 1 1
16 2911 1 1 8 THR CB C -2.848 1.335 -1.675 1.00 . A A . 7 THR CB 1 1
16 2912 1 1 8 THR CG2 C -2.214 1.514 -0.304 1.00 . A A . 7 THR CG2 1 1
16 2913 1 1 8 THR H H -0.105 1.298 -1.967 1.00 . A A . 7 THR H 1 1
16 2914 1 1 8 THR HA H -2.420 1.697 -3.742 1.00 . A A . 7 THR HA 1 1
16 2915 1 1 8 THR HB H -2.981 0.281 -1.858 1.00 . A A . 7 THR HB 1 1
16 2916 1 1 8 THR HG1 H -4.750 1.432 -2.192 1.00 . A A . 7 THR HG1 1 1
16 2917 1 1 8 THR HG21 H -2.793 0.979 0.433 1.00 . A A . 7 THR HG21 1 1
16 2918 1 1 8 THR HG22 H -2.190 2.563 -0.050 1.00 . A A . 7 THR HG22 1 1
16 2919 1 1 8 THR HG23 H -1.208 1.126 -0.322 1.00 . A A . 7 THR HG23 1 1
16 2920 1 1 8 THR N N -0.622 1.323 -2.800 1.00 . A A . 7 THR N 1 1
16 2921 1 1 8 THR O O -0.802 3.962 -2.309 1.00 . A A . 7 THR O 1 1
16 2922 1 1 8 THR OG1 O -4.131 1.972 -1.695 1.00 . A A . 7 THR OG1 1 1
16 2923 1 1 9 DBU C C -3.451 6.204 -1.628 1.00 . A A . 8 DBU C 1 1
16 2924 1 1 9 DBU CA C -3.076 5.560 -2.905 1.00 . A A . 8 DBU CA 1 1
16 2925 1 1 9 DBU CB C -2.850 6.276 -3.993 1.00 . A A . 8 DBU CB 1 1
16 2926 1 1 9 DBU CG C -2.452 5.627 -5.325 1.00 . A A . 8 DBU CG 1 1
16 2927 1 1 9 DBU HG1 H -1.687 4.881 -5.144 1.00 . A A . 8 DBU HG1 1 1
16 2928 1 1 9 DBU HG2 H -2.069 6.382 -5.995 1.00 . A A . 8 DBU HG2 1 1
16 2929 1 1 9 DBU HG3 H -3.316 5.155 -5.769 1.00 . A A . 8 DBU HG3 1 1
16 2930 1 1 9 DBU N N -2.973 4.104 -2.862 1.00 . A A . 8 DBU N 1 1
16 2931 1 1 10 CYS C C -4.630 5.631 1.659 1.00 . A A . 9 CYS C 1 1
16 2932 1 1 10 CYS CA C -3.855 6.407 0.621 1.00 . A A . 9 CYS CA 1 1
16 2933 1 1 10 CYS CB C -4.698 7.544 0.051 1.00 . A A . 9 CYS CB 1 1
16 2934 1 1 10 CYS HA H -2.974 6.831 1.083 1.00 . A A . 9 CYS HA 1 1
16 2935 1 1 10 CYS HB2 H -5.736 7.236 -0.037 1.00 . A A . 9 CYS HB2 1 1
16 2936 1 1 10 CYS HB3 H -4.610 8.428 0.658 1.00 . A A . 9 CYS HB3 1 1
16 2937 1 1 10 CYS N N -3.431 5.563 -0.497 1.00 . A A . 9 CYS N 1 1
16 2938 1 1 10 CYS O O -5.373 6.244 2.426 1.00 . A A . 9 CYS O 1 1
16 2939 1 1 10 CYS SG S -3.970 7.854 -1.567 1.00 . A A . 9 CYS SG 1 1
16 2940 1 1 11 . C C -4.042 2.902 3.622 1.00 . A A . 10 TS9 C 1 1
16 2941 1 1 11 . CA C -5.107 3.465 2.682 1.00 . A A . 10 TS9 CA 1 1
16 2942 1 1 11 . CB C -5.915 2.313 1.989 1.00 . A A . 10 TS9 CB 1 1
16 2943 1 1 11 . CD1 C -7.532 1.989 -0.034 1.00 . A A . 10 TS9 CD1 1 1
16 2944 1 1 11 . CG1 C -6.848 2.966 0.911 1.00 . A A . 10 TS9 CG1 1 1
16 2945 1 1 11 . CG2 C -6.718 1.551 2.994 1.00 . A A . 10 TS9 CG2 1 1
16 2946 1 1 11 . H H -3.886 3.895 1.012 1.00 . A A . 10 TS9 H 1 1
16 2947 1 1 11 . HA H -5.789 4.080 3.247 1.00 . A A . 10 TS9 HA 1 1
16 2948 1 1 11 . HD11 H -6.784 1.416 -0.562 1.00 . A A . 10 TS9 HD11 1 1
16 2949 1 1 11 . HD12 H -8.132 2.537 -0.745 1.00 . A A . 10 TS9 HD12 1 1
16 2950 1 1 11 . HD13 H -8.164 1.322 0.532 1.00 . A A . 10 TS9 HD13 1 1
16 2951 1 1 11 . HD2 H -7.490 3.975 2.481 1.00 . A A . 10 TS9 HD2 1 1
16 2952 1 1 11 . HG1 H -6.273 3.657 0.315 1.00 . A A . 10 TS9 HG1 1 1
16 2953 1 1 11 . HG21 H -7.350 2.234 3.542 1.00 . A A . 10 TS9 HG21 1 1
16 2954 1 1 11 . HG22 H -6.054 1.046 3.681 1.00 . A A . 10 TS9 HG22 1 1
16 2955 1 1 11 . HG23 H -7.333 0.822 2.489 1.00 . A A . 10 TS9 HG23 1 1
16 2956 1 1 11 . HG3 H -4.518 1.917 0.676 1.00 . A A . 10 TS9 HG3 1 1
16 2957 1 1 11 . N N -4.463 4.311 1.685 1.00 . A A . 10 TS9 N 1 1
16 2958 1 1 11 . OD2 O -7.845 3.702 1.632 1.00 . A A . 10 TS9 OD2 1 1
16 2959 1 1 11 . OG3 O -5.008 1.436 1.345 1.00 . A A . 10 TS9 OG3 1 1
16 2960 1 1 12 . C C -0.852 1.395 4.154 1.00 . A A . 11 BB9 C 1 1
16 2961 1 1 12 . CA C -2.168 1.989 4.294 1.00 . A A . 11 BB9 CA 1 1
16 2962 1 1 12 . CB C -2.791 2.182 5.568 1.00 . A A . 11 BB9 CB 1 1
16 2963 1 1 12 . HB H -2.367 1.916 6.524 1.00 . A A . 11 BB9 HB 1 1
16 2964 1 1 12 . N N -2.908 2.407 3.245 1.00 . A A . 11 BB9 N 1 1
16 2965 1 1 12 . O O -0.152 1.022 5.097 1.00 . A A . 11 BB9 O 1 1
16 2966 1 1 12 . SG S -4.299 2.895 5.323 1.00 . A A . 11 BB9 SG 1 1
16 2967 1 1 13 THR C C 1.444 1.498 1.356 1.00 . A A . 12 THR C 1 1
16 2968 1 1 13 THR CA C 0.837 0.723 2.523 1.00 . A A . 12 THR CA 1 1
16 2969 1 1 13 THR CB C 0.740 -0.780 2.187 1.00 . A A . 12 THR CB 1 1
16 2970 1 1 13 THR CG2 C 0.511 -1.610 3.438 1.00 . A A . 12 THR CG2 1 1
16 2971 1 1 13 THR H H -1.076 1.568 2.172 1.00 . A A . 12 THR H 1 1
16 2972 1 1 13 THR HA H 1.482 0.826 3.382 1.00 . A A . 12 THR HA 1 1
16 2973 1 1 13 THR HB H 1.656 -1.104 1.715 1.00 . A A . 12 THR HB 1 1
16 2974 1 1 13 THR HG21 H 0.528 -2.659 3.181 1.00 . A A . 12 THR HG21 1 1
16 2975 1 1 13 THR HG22 H -0.448 -1.361 3.864 1.00 . A A . 12 THR HG22 1 1
16 2976 1 1 13 THR HG23 H 1.291 -1.402 4.155 1.00 . A A . 12 THR HG23 1 1
16 2977 1 1 13 THR N N -0.468 1.277 2.883 1.00 . A A . 12 THR N 1 1
16 2978 1 1 13 THR OG1 O -0.422 -1.043 1.300 1.00 . A A . 12 THR OG1 1 1
16 2979 1 1 14 . C C 4.153 1.968 -0.971 1.00 . A A . 13 BB9 C 1 1
16 2980 1 1 14 . CA C 2.862 2.098 -0.207 1.00 . A A . 13 BB9 CA 1 1
16 2981 1 1 14 . CB C 1.841 3.074 -0.438 1.00 . A A . 13 BB9 CB 1 1
16 2982 1 1 14 . HB H 1.865 3.842 -1.196 1.00 . A A . 13 BB9 HB 1 1
16 2983 1 1 14 . N N 2.590 1.243 0.805 1.00 . A A . 13 BB9 N 1 1
16 2984 1 1 14 . SG S 0.597 2.826 0.668 1.00 . A A . 13 BB9 SG 1 1
16 2985 1 1 15 . C C 7.346 1.810 0.928 1.00 . A A . 14 MH6 C 1 1
16 2986 1 1 15 . CA C 6.359 1.605 -0.153 1.00 . A A . 14 MH6 CA 1 1
16 2987 1 1 15 . CB C 6.811 0.844 -1.330 1.00 . A A . 14 MH6 CB 1 1
16 2988 1 1 15 . HB2 H 7.067 -0.158 -1.022 1.00 . A A . 14 MH6 HB2 1 1
16 2989 1 1 15 . HB3 H 7.688 1.316 -1.749 1.00 . A A . 14 MH6 HB3 1 1
16 2990 1 1 15 . N N 5.197 2.119 0.053 1.00 . A A . 14 MH6 N 1 1
16 2991 1 1 16 . C C 10.640 1.333 2.203 1.00 . A A . 15 BB9 C 1 1
16 2992 1 1 16 . CA C 9.253 1.698 1.995 1.00 . A A . 15 BB9 CA 1 1
16 2993 1 1 16 . CB C 8.498 2.437 2.962 1.00 . A A . 15 BB9 CB 1 1
16 2994 1 1 16 . HB H 8.866 2.790 3.915 1.00 . A A . 15 BB9 HB 1 1
16 2995 1 1 16 . N N 8.561 1.374 0.880 1.00 . A A . 15 BB9 N 1 1
16 2996 1 1 16 . O O 11.289 1.615 3.208 1.00 . A A . 15 BB9 O 1 1
16 2997 1 1 16 . SG S 6.939 2.666 2.362 1.00 . A A . 15 BB9 SG 1 1
16 2998 1 1 17 DHA C C 12.739 -0.621 -0.174 1.00 . A A . 16 DHA C 1 1
16 2999 1 1 17 DHA CA C 12.523 0.139 1.047 1.00 . A A . 16 DHA CA 1 1
16 3000 1 1 17 DHA CB C 13.503 0.326 1.920 1.00 . A A . 16 DHA CB 1 1
16 3001 1 1 17 DHA H H 10.529 0.459 0.433 1.00 . A A . 16 DHA H 1 1
16 3002 1 1 17 DHA HB1 H 14.481 -0.090 1.728 1.00 . A A . 16 DHA HB1 1 1
16 3003 1 1 17 DHA HB2 H 13.329 0.893 2.821 1.00 . A A . 16 DHA HB2 1 1
16 3004 1 1 17 DHA N N 11.143 0.645 1.173 1.00 . A A . 16 DHA N 1 1
16 3005 1 1 17 DHA O O 11.782 -0.753 -0.937 1.00 . A A . 16 DHA O 1 1
16 3006 1 1 18 NH2 HN1 H 14.078 -1.647 -1.250 1.00 . A A . 17 NH2 HN1 1 1
16 3007 1 1 18 NH2 HN2 H 14.666 -1.001 0.217 1.00 . A A . 17 NH2 HN2 1 1
16 3008 1 1 18 NH2 N N 13.938 -1.138 -0.425 1.00 . A A . 17 NH2 N 1 1
17 3009 1 1 1 QUA C10 C -3.745 -2.413 -2.042 1.00 . A A . 0 QUA C10 1 1
17 3010 1 1 1 QUA C11 C -0.197 -1.369 0.038 1.00 . A A . 0 QUA C11 1 1
17 3011 1 1 1 QUA C13 C -2.452 -2.739 -4.209 1.00 . A A . 0 QUA C13 1 1
17 3012 1 1 1 QUA C14 C -2.474 -4.255 -4.373 1.00 . A A . 0 QUA C14 1 1
17 3013 1 1 1 QUA C2 C -1.463 -1.734 -0.675 1.00 . A A . 0 QUA C2 1 1
17 3014 1 1 1 QUA C3 C -1.367 -2.041 -2.028 1.00 . A A . 0 QUA C3 1 1
17 3015 1 1 1 QUA C4 C -2.525 -2.385 -2.727 1.00 . A A . 0 QUA C4 1 1
17 3016 1 1 1 QUA C5 C -5.022 -2.751 -2.697 1.00 . A A . 0 QUA C5 1 1
17 3017 1 1 1 QUA C6 C -6.057 -3.110 -2.015 1.00 . A A . 0 QUA C6 1 1
17 3018 1 1 1 QUA C7 C -6.001 -3.217 -0.492 1.00 . A A . 0 QUA C7 1 1
17 3019 1 1 1 QUA C8 C -5.054 -2.132 0.092 1.00 . A A . 0 QUA C8 1 1
17 3020 1 1 1 QUA C9 C -3.746 -2.094 -0.691 1.00 . A A . 0 QUA C9 1 1
17 3021 1 1 1 QUA H13 H -3.306 -2.329 -4.724 1.00 . A A . 0 QUA H13 1 1
17 3022 1 1 1 QUA H141 H -1.506 -4.658 -4.119 1.00 . A A . 0 QUA H141 1 1
17 3023 1 1 1 QUA H142 H -2.711 -4.505 -5.396 1.00 . A A . 0 QUA H142 1 1
17 3024 1 1 1 QUA H143 H -3.223 -4.681 -3.714 1.00 . A A . 0 QUA H143 1 1
17 3025 1 1 1 QUA H15 H -1.389 -2.130 -5.759 1.00 . A A . 0 QUA H15 1 1
17 3026 1 1 1 QUA H16 H -5.052 -0.165 -0.065 1.00 . A A . 0 QUA H16 1 1
17 3027 1 1 1 QUA HC3 H -0.411 -2.011 -2.530 1.00 . A A . 0 QUA HC3 1 1
17 3028 1 1 1 QUA HC5 H -5.102 -2.690 -3.770 1.00 . A A . 0 QUA HC5 1 1
17 3029 1 1 1 QUA HC6 H -6.972 -3.345 -2.533 1.00 . A A . 0 QUA HC6 1 1
17 3030 1 1 1 QUA HC71 H -6.988 -3.104 -0.074 1.00 . A A . 0 QUA HC71 1 1
17 3031 1 1 1 QUA HC8 H -4.848 -2.383 1.122 1.00 . A A . 0 QUA HC8 1 1
17 3032 1 1 1 QUA N1 N -2.636 -1.755 0.019 1.00 . A A . 0 QUA N1 1 1
17 3033 1 1 1 QUA O12 O 0.908 -1.374 -0.503 1.00 . A A . 0 QUA O12 1 1
17 3034 1 1 1 QUA O15 O -1.260 -2.213 -4.811 1.00 . A A . 0 QUA O15 1 1
17 3035 1 1 1 QUA O16 O -5.707 -0.857 0.056 1.00 . A A . 0 QUA O16 1 1
17 3036 1 1 2 ILE C C -4.429 -5.121 1.953 1.00 . A A . 1 ILE C 1 1
17 3037 1 1 2 ILE CA C -5.734 -5.071 1.164 1.00 . A A . 1 ILE CA 1 1
17 3038 1 1 2 ILE CB C -6.396 -6.472 1.170 1.00 . A A . 1 ILE CB 1 1
17 3039 1 1 2 ILE CD1 C -5.183 -7.274 -0.976 1.00 . A A . 1 ILE CD1 1 1
17 3040 1 1 2 ILE CG1 C -5.506 -7.538 0.489 1.00 . A A . 1 ILE CG1 1 1
17 3041 1 1 2 ILE CG2 C -7.764 -6.411 0.505 1.00 . A A . 1 ILE CG2 1 1
17 3042 1 1 2 ILE H H -4.537 -4.629 -0.415 1.00 . A A . 1 ILE H 1 1
17 3043 1 1 2 ILE HA H -6.407 -4.376 1.648 1.00 . A A . 1 ILE HA 1 1
17 3044 1 1 2 ILE HB H -6.548 -6.758 2.201 1.00 . A A . 1 ILE HB 1 1
17 3045 1 1 2 ILE HD11 H -4.785 -8.175 -1.422 1.00 . A A . 1 ILE HD11 1 1
17 3046 1 1 2 ILE HD12 H -4.446 -6.485 -1.052 1.00 . A A . 1 ILE HD12 1 1
17 3047 1 1 2 ILE HD13 H -6.079 -6.981 -1.501 1.00 . A A . 1 ILE HD13 1 1
17 3048 1 1 2 ILE HG12 H -4.571 -7.609 1.021 1.00 . A A . 1 ILE HG12 1 1
17 3049 1 1 2 ILE HG13 H -6.009 -8.493 0.545 1.00 . A A . 1 ILE HG13 1 1
17 3050 1 1 2 ILE HG21 H -8.430 -5.812 1.110 1.00 . A A . 1 ILE HG21 1 1
17 3051 1 1 2 ILE HG22 H -8.163 -7.409 0.409 1.00 . A A . 1 ILE HG22 1 1
17 3052 1 1 2 ILE HG23 H -7.669 -5.965 -0.474 1.00 . A A . 1 ILE HG23 1 1
17 3053 1 1 2 ILE N N -5.496 -4.594 -0.221 1.00 . A A . 1 ILE N 1 1
17 3054 1 1 2 ILE O O -4.397 -4.825 3.147 1.00 . A A . 1 ILE O 1 1
17 3055 1 1 3 ALA C C -0.956 -5.765 0.809 1.00 . A A . 2 ALA C 1 1
17 3056 1 1 3 ALA CA C -2.031 -5.576 1.874 1.00 . A A . 2 ALA CA 1 1
17 3057 1 1 3 ALA CB C -1.974 -6.713 2.886 1.00 . A A . 2 ALA CB 1 1
17 3058 1 1 3 ALA H H -3.453 -5.730 0.318 1.00 . A A . 2 ALA H 1 1
17 3059 1 1 3 ALA HA H -1.849 -4.648 2.397 1.00 . A A . 2 ALA HA 1 1
17 3060 1 1 3 ALA HB1 H -0.981 -6.767 3.310 1.00 . A A . 2 ALA HB1 1 1
17 3061 1 1 3 ALA HB2 H -2.206 -7.645 2.395 1.00 . A A . 2 ALA HB2 1 1
17 3062 1 1 3 ALA HB3 H -2.691 -6.532 3.673 1.00 . A A . 2 ALA HB3 1 1
17 3063 1 1 3 ALA N N -3.354 -5.498 1.265 1.00 . A A . 2 ALA N 1 1
17 3064 1 1 3 ALA O O -0.987 -6.736 0.053 1.00 . A A . 2 ALA O 1 1
17 3065 1 1 4 DHA C C 2.173 -3.906 0.304 1.00 . A A . 3 DHA C 1 1
17 3066 1 1 4 DHA CA C 1.136 -4.799 -0.155 1.00 . A A . 3 DHA CA 1 1
17 3067 1 1 4 DHA CB C 1.262 -5.492 -1.276 1.00 . A A . 3 DHA CB 1 1
17 3068 1 1 4 DHA H H -0.063 -4.106 1.421 1.00 . A A . 3 DHA H 1 1
17 3069 1 1 4 DHA HB1 H 0.478 -6.161 -1.591 1.00 . A A . 3 DHA HB1 1 1
17 3070 1 1 4 DHA HB2 H 2.158 -5.394 -1.871 1.00 . A A . 3 DHA HB2 1 1
17 3071 1 1 4 DHA N N -0.004 -4.833 0.765 1.00 . A A . 3 DHA N 1 1
17 3072 1 1 4 DHA O O 1.977 -3.325 1.369 1.00 . A A . 3 DHA O 1 1
17 3073 1 1 5 ALA C C 4.534 -1.757 -1.102 1.00 . A A . 4 ALA C 1 1
17 3074 1 1 5 ALA CA C 4.297 -2.799 -0.019 1.00 . A A . 4 ALA CA 1 1
17 3075 1 1 5 ALA CB C 5.568 -3.561 0.299 1.00 . A A . 4 ALA CB 1 1
17 3076 1 1 5 ALA H H 3.368 -4.236 -1.257 1.00 . A A . 4 ALA H 1 1
17 3077 1 1 5 ALA HA H 3.970 -2.299 0.881 1.00 . A A . 4 ALA HA 1 1
17 3078 1 1 5 ALA HB1 H 6.305 -2.884 0.701 1.00 . A A . 4 ALA HB1 1 1
17 3079 1 1 5 ALA HB2 H 5.946 -4.021 -0.601 1.00 . A A . 4 ALA HB2 1 1
17 3080 1 1 5 ALA HB3 H 5.344 -4.327 1.029 1.00 . A A . 4 ALA HB3 1 1
17 3081 1 1 5 ALA N N 3.260 -3.730 -0.425 1.00 . A A . 4 ALA N 1 1
17 3082 1 1 5 ALA O O 4.955 -2.090 -2.209 1.00 . A A . 4 ALA O 1 1
17 3083 1 1 6 SER C C 3.253 0.443 -2.794 1.00 . A A . 5 SER C 1 1
17 3084 1 1 6 SER CA C 4.305 0.607 -1.799 1.00 . A A . 5 SER CA 1 1
17 3085 1 1 6 SER CB C 5.722 0.707 -2.432 1.00 . A A . 5 SER CB 1 1
17 3086 1 1 6 SER H H 4.005 -0.286 0.152 1.00 . A A . 5 SER H 1 1
17 3087 1 1 6 SER HB2 H 5.915 -0.165 -3.038 1.00 . A A . 5 SER HB2 1 1
17 3088 1 1 6 SER HB3 H 5.780 1.592 -3.048 1.00 . A A . 5 SER HB3 1 1
17 3089 1 1 6 SER N N 4.251 -0.492 -0.773 1.00 . A A . 5 SER N 1 1
17 3090 1 1 7 . C C -0.125 0.803 -3.904 1.00 . A A . 6 BB9 C 1 1
17 3091 1 1 7 . CA C 1.288 0.504 -3.781 1.00 . A A . 6 BB9 CA 1 1
17 3092 1 1 7 . CB C 2.033 -0.120 -4.824 1.00 . A A . 6 BB9 CB 1 1
17 3093 1 1 7 . HB H 1.642 -0.430 -5.781 1.00 . A A . 6 BB9 HB 1 1
17 3094 1 1 7 . N N 2.010 0.795 -2.679 1.00 . A A . 6 BB9 N 1 1
17 3095 1 1 7 . O O -0.798 0.581 -4.912 1.00 . A A . 6 BB9 O 1 1
17 3096 1 1 7 . SG S 3.626 -0.291 -4.309 1.00 . A A . 6 BB9 SG 1 1
17 3097 1 1 8 THR C C -1.861 3.444 -2.617 1.00 . A A . 7 THR C 1 1
17 3098 1 1 8 THR CA C -1.969 1.935 -2.782 1.00 . A A . 7 THR CA 1 1
17 3099 1 1 8 THR CB C -2.871 1.362 -1.668 1.00 . A A . 7 THR CB 1 1
17 3100 1 1 8 THR CG2 C -2.244 1.542 -0.294 1.00 . A A . 7 THR CG2 1 1
17 3101 1 1 8 THR H H -0.125 1.296 -1.960 1.00 . A A . 7 THR H 1 1
17 3102 1 1 8 THR HA H -2.437 1.726 -3.734 1.00 . A A . 7 THR HA 1 1
17 3103 1 1 8 THR HB H -3.008 0.307 -1.848 1.00 . A A . 7 THR HB 1 1
17 3104 1 1 8 THR HG1 H -4.804 1.405 -2.062 1.00 . A A . 7 THR HG1 1 1
17 3105 1 1 8 THR HG21 H -2.207 2.593 -0.046 1.00 . A A . 7 THR HG21 1 1
17 3106 1 1 8 THR HG22 H -1.242 1.140 -0.301 1.00 . A A . 7 THR HG22 1 1
17 3107 1 1 8 THR HG23 H -2.836 1.019 0.443 1.00 . A A . 7 THR HG23 1 1
17 3108 1 1 8 THR N N -0.643 1.327 -2.792 1.00 . A A . 7 THR N 1 1
17 3109 1 1 8 THR O O -0.807 3.965 -2.250 1.00 . A A . 7 THR O 1 1
17 3110 1 1 8 THR OG1 O -4.150 2.006 -1.695 1.00 . A A . 7 THR OG1 1 1
17 3111 1 1 9 DBU C C -3.463 6.240 -1.663 1.00 . A A . 8 DBU C 1 1
17 3112 1 1 9 DBU CA C -3.033 5.599 -2.924 1.00 . A A . 8 DBU CA 1 1
17 3113 1 1 9 DBU CB C -2.743 6.322 -3.994 1.00 . A A . 8 DBU CB 1 1
17 3114 1 1 9 DBU CG C -2.286 5.683 -5.312 1.00 . A A . 8 DBU CG 1 1
17 3115 1 1 9 DBU HG1 H -3.130 5.221 -5.800 1.00 . A A . 8 DBU HG1 1 1
17 3116 1 1 9 DBU HG2 H -1.537 4.928 -5.102 1.00 . A A . 8 DBU HG2 1 1
17 3117 1 1 9 DBU HG3 H -1.865 6.440 -5.956 1.00 . A A . 8 DBU HG3 1 1
17 3118 1 1 9 DBU N N -2.953 4.141 -2.889 1.00 . A A . 8 DBU N 1 1
17 3119 1 1 10 CYS C C -4.731 5.685 1.608 1.00 . A A . 9 CYS C 1 1
17 3120 1 1 10 CYS CA C -3.951 6.453 0.565 1.00 . A A . 9 CYS CA 1 1
17 3121 1 1 10 CYS CB C -4.805 7.558 -0.050 1.00 . A A . 9 CYS CB 1 1
17 3122 1 1 10 CYS HA H -3.090 6.910 1.037 1.00 . A A . 9 CYS HA 1 1
17 3123 1 1 10 CYS HB2 H -5.825 7.214 -0.190 1.00 . A A . 9 CYS HB2 1 1
17 3124 1 1 10 CYS HB3 H -4.778 8.446 0.557 1.00 . A A . 9 CYS HB3 1 1
17 3125 1 1 10 CYS N N -3.480 5.602 -0.528 1.00 . A A . 9 CYS N 1 1
17 3126 1 1 10 CYS O O -5.565 6.285 2.287 1.00 . A A . 9 CYS O 1 1
17 3127 1 1 10 CYS SG S -4.001 7.886 -1.625 1.00 . A A . 9 CYS SG 1 1
17 3128 1 1 11 . C C -3.975 3.038 3.706 1.00 . A A . 10 TS9 C 1 1
17 3129 1 1 11 . CA C -5.075 3.572 2.787 1.00 . A A . 10 TS9 CA 1 1
17 3130 1 1 11 . CB C -5.919 2.399 2.176 1.00 . A A . 10 TS9 CB 1 1
17 3131 1 1 11 . CD1 C -7.697 2.003 0.305 1.00 . A A . 10 TS9 CD1 1 1
17 3132 1 1 11 . CG1 C -6.899 3.014 1.116 1.00 . A A . 10 TS9 CG1 1 1
17 3133 1 1 11 . CG2 C -6.683 1.686 3.246 1.00 . A A . 10 TS9 CG2 1 1
17 3134 1 1 11 . H H -3.851 3.960 1.107 1.00 . A A . 10 TS9 H 1 1
17 3135 1 1 11 . HA H -5.730 4.210 3.360 1.00 . A A . 10 TS9 HA 1 1
17 3136 1 1 11 . HD11 H -8.267 2.518 -0.454 1.00 . A A . 10 TS9 HD11 1 1
17 3137 1 1 11 . HD12 H -8.372 1.468 0.958 1.00 . A A . 10 TS9 HD12 1 1
17 3138 1 1 11 . HD13 H -7.022 1.304 -0.165 1.00 . A A . 10 TS9 HD13 1 1
17 3139 1 1 11 . HD2 H -7.323 4.600 2.212 1.00 . A A . 10 TS9 HD2 1 1
17 3140 1 1 11 . HG1 H -6.337 3.625 0.427 1.00 . A A . 10 TS9 HG1 1 1
17 3141 1 1 11 . HG21 H -7.332 2.385 3.751 1.00 . A A . 10 TS9 HG21 1 1
17 3142 1 1 11 . HG22 H -5.994 1.256 3.957 1.00 . A A . 10 TS9 HG22 1 1
17 3143 1 1 11 . HG23 H -7.278 0.900 2.804 1.00 . A A . 10 TS9 HG23 1 1
17 3144 1 1 11 . HG3 H -5.118 1.604 0.575 1.00 . A A . 10 TS9 HG3 1 1
17 3145 1 1 11 . N N -4.470 4.384 1.737 1.00 . A A . 10 TS9 N 1 1
17 3146 1 1 11 . OD2 O -7.803 3.854 1.844 1.00 . A A . 10 TS9 OD2 1 1
17 3147 1 1 11 . OG3 O -5.050 1.489 1.527 1.00 . A A . 10 TS9 OG3 1 1
17 3148 1 1 12 . C C -0.791 1.491 4.185 1.00 . A A . 11 BB9 C 1 1
17 3149 1 1 12 . CA C -2.089 2.122 4.344 1.00 . A A . 11 BB9 CA 1 1
17 3150 1 1 12 . CB C -2.649 2.401 5.631 1.00 . A A . 11 BB9 CB 1 1
17 3151 1 1 12 . HB H -2.186 2.180 6.582 1.00 . A A . 11 BB9 HB 1 1
17 3152 1 1 12 . N N -2.869 2.497 3.306 1.00 . A A . 11 BB9 N 1 1
17 3153 1 1 12 . O O -0.067 1.143 5.117 1.00 . A A . 11 BB9 O 1 1
17 3154 1 1 12 . SG S -4.152 3.131 5.414 1.00 . A A . 11 BB9 SG 1 1
17 3155 1 1 13 THR C C 1.443 1.501 1.355 1.00 . A A . 12 THR C 1 1
17 3156 1 1 13 THR CA C 0.838 0.735 2.530 1.00 . A A . 12 THR CA 1 1
17 3157 1 1 13 THR CB C 0.716 -0.767 2.202 1.00 . A A . 12 THR CB 1 1
17 3158 1 1 13 THR CG2 C 0.456 -1.585 3.453 1.00 . A A . 12 THR CG2 1 1
17 3159 1 1 13 THR H H -1.081 1.576 2.204 1.00 . A A . 12 THR H 1 1
17 3160 1 1 13 THR HA H 1.497 0.831 3.380 1.00 . A A . 12 THR HA 1 1
17 3161 1 1 13 THR HB H 1.633 -1.111 1.743 1.00 . A A . 12 THR HB 1 1
17 3162 1 1 13 THR HG21 H 1.249 -1.418 4.165 1.00 . A A . 12 THR HG21 1 1
17 3163 1 1 13 THR HG22 H 0.419 -2.633 3.194 1.00 . A A . 12 THR HG22 1 1
17 3164 1 1 13 THR HG23 H -0.487 -1.288 3.886 1.00 . A A . 12 THR HG23 1 1
17 3165 1 1 13 THR N N -0.452 1.313 2.907 1.00 . A A . 12 THR N 1 1
17 3166 1 1 13 THR OG1 O -0.437 -1.014 1.300 1.00 . A A . 12 THR OG1 1 1
17 3167 1 1 14 . C C 4.142 1.942 -0.986 1.00 . A A . 13 BB9 C 1 1
17 3168 1 1 14 . CA C 2.857 2.085 -0.217 1.00 . A A . 13 BB9 CA 1 1
17 3169 1 1 14 . CB C 1.841 3.064 -0.450 1.00 . A A . 13 BB9 CB 1 1
17 3170 1 1 14 . HB H 1.864 3.827 -1.213 1.00 . A A . 13 BB9 HB 1 1
17 3171 1 1 14 . N N 2.586 1.237 0.802 1.00 . A A . 13 BB9 N 1 1
17 3172 1 1 14 . SG S 0.600 2.828 0.663 1.00 . A A . 13 BB9 SG 1 1
17 3173 1 1 15 . C C 7.345 1.778 0.898 1.00 . A A . 14 MH6 C 1 1
17 3174 1 1 15 . CA C 6.350 1.571 -0.175 1.00 . A A . 14 MH6 CA 1 1
17 3175 1 1 15 . CB C 6.790 0.791 -1.345 1.00 . A A . 14 MH6 CB 1 1
17 3176 1 1 15 . HB2 H 7.034 -0.209 -1.027 1.00 . A A . 14 MH6 HB2 1 1
17 3177 1 1 15 . HB3 H 7.673 1.248 -1.770 1.00 . A A . 14 MH6 HB3 1 1
17 3178 1 1 15 . N N 5.193 2.097 0.031 1.00 . A A . 14 MH6 N 1 1
17 3179 1 1 16 . C C 10.640 1.276 2.153 1.00 . A A . 15 BB9 C 1 1
17 3180 1 1 16 . CA C 9.257 1.655 1.952 1.00 . A A . 15 BB9 CA 1 1
17 3181 1 1 16 . CB C 8.518 2.414 2.915 1.00 . A A . 15 BB9 CB 1 1
17 3182 1 1 16 . HB H 8.896 2.772 3.861 1.00 . A A . 15 BB9 HB 1 1
17 3183 1 1 16 . N N 8.553 1.328 0.846 1.00 . A A . 15 BB9 N 1 1
17 3184 1 1 16 . O O 11.302 1.562 3.150 1.00 . A A . 15 BB9 O 1 1
17 3185 1 1 16 . SG S 6.958 2.655 2.324 1.00 . A A . 15 BB9 SG 1 1
17 3186 1 1 17 DHA C C 12.666 -0.806 -0.173 1.00 . A A . 16 DHA C 1 1
17 3187 1 1 17 DHA CA C 12.497 0.047 0.993 1.00 . A A . 16 DHA CA 1 1
17 3188 1 1 17 DHA CB C 13.510 0.298 1.810 1.00 . A A . 16 DHA CB 1 1
17 3189 1 1 17 DHA H H 10.496 0.363 0.405 1.00 . A A . 16 DHA H 1 1
17 3190 1 1 17 DHA HB1 H 14.480 -0.134 1.616 1.00 . A A . 16 DHA HB1 1 1
17 3191 1 1 17 DHA HB2 H 13.369 0.934 2.670 1.00 . A A . 16 DHA HB2 1 1
17 3192 1 1 17 DHA N N 11.124 0.565 1.130 1.00 . A A . 16 DHA N 1 1
17 3193 1 1 17 DHA O O 11.682 -0.992 -0.887 1.00 . A A . 16 DHA O 1 1
17 3194 1 1 18 NH2 HN1 H 13.960 -1.923 -1.212 1.00 . A A . 17 NH2 HN1 1 1
17 3195 1 1 18 NH2 HN2 H 14.603 -1.168 0.177 1.00 . A A . 17 NH2 HN2 1 1
17 3196 1 1 18 NH2 N N 13.853 -1.349 -0.425 1.00 . A A . 17 NH2 N 1 1
18 3197 1 1 1 QUA C10 C -3.702 -2.421 -2.028 1.00 . A A . 0 QUA C10 1 1
18 3198 1 1 1 QUA C11 C -0.172 -1.353 0.066 1.00 . A A . 0 QUA C11 1 1
18 3199 1 1 1 QUA C13 C -2.383 -2.813 -4.168 1.00 . A A . 0 QUA C13 1 1
18 3200 1 1 1 QUA C14 C -2.430 -4.332 -4.294 1.00 . A A . 0 QUA C14 1 1
18 3201 1 1 1 QUA C2 C -1.433 -1.728 -0.649 1.00 . A A . 0 QUA C2 1 1
18 3202 1 1 1 QUA C3 C -1.322 -2.069 -1.992 1.00 . A A . 0 QUA C3 1 1
18 3203 1 1 1 QUA C4 C -2.474 -2.421 -2.697 1.00 . A A . 0 QUA C4 1 1
18 3204 1 1 1 QUA C5 C -4.972 -2.764 -2.692 1.00 . A A . 0 QUA C5 1 1
18 3205 1 1 1 QUA C6 C -6.019 -3.099 -2.014 1.00 . A A . 0 QUA C6 1 1
18 3206 1 1 1 QUA C7 C -5.981 -3.171 -0.489 1.00 . A A . 0 QUA C7 1 1
18 3207 1 1 1 QUA C8 C -5.038 -2.077 0.080 1.00 . A A . 0 QUA C8 1 1
18 3208 1 1 1 QUA C9 C -3.719 -2.069 -0.685 1.00 . A A . 0 QUA C9 1 1
18 3209 1 1 1 QUA H13 H -3.221 -2.400 -4.706 1.00 . A A . 0 QUA H13 1 1
18 3210 1 1 1 QUA H141 H -3.203 -4.727 -3.644 1.00 . A A . 0 QUA H141 1 1
18 3211 1 1 1 QUA H142 H -1.475 -4.748 -4.009 1.00 . A A . 0 QUA H142 1 1
18 3212 1 1 1 QUA H143 H -2.650 -4.603 -5.316 1.00 . A A . 0 QUA H143 1 1
18 3213 1 1 1 QUA H15 H -0.416 -2.702 -4.301 1.00 . A A . 0 QUA H15 1 1
18 3214 1 1 1 QUA H16 H -6.101 -0.596 0.837 1.00 . A A . 0 QUA H16 1 1
18 3215 1 1 1 QUA HC3 H -0.360 -2.060 -2.482 1.00 . A A . 0 QUA HC3 1 1
18 3216 1 1 1 QUA HC5 H -5.039 -2.728 -3.767 1.00 . A A . 0 QUA HC5 1 1
18 3217 1 1 1 QUA HC6 H -6.930 -3.339 -2.537 1.00 . A A . 0 QUA HC6 1 1
18 3218 1 1 1 QUA HC71 H -6.973 -3.047 -0.085 1.00 . A A . 0 QUA HC71 1 1
18 3219 1 1 1 QUA HC8 H -4.848 -2.300 1.119 1.00 . A A . 0 QUA HC8 1 1
18 3220 1 1 1 QUA N1 N -2.614 -1.721 0.031 1.00 . A A . 0 QUA N1 1 1
18 3221 1 1 1 QUA O12 O 0.933 -1.347 -0.477 1.00 . A A . 0 QUA O12 1 1
18 3222 1 1 1 QUA O15 O -1.170 -2.325 -4.760 1.00 . A A . 0 QUA O15 1 1
18 3223 1 1 1 QUA O16 O -5.682 -0.799 -0.003 1.00 . A A . 0 QUA O16 1 1
18 3224 1 1 2 ILE C C -4.407 -5.081 1.983 1.00 . A A . 1 ILE C 1 1
18 3225 1 1 2 ILE CA C -5.722 -4.983 1.213 1.00 . A A . 1 ILE CA 1 1
18 3226 1 1 2 ILE CB C -6.442 -6.353 1.251 1.00 . A A . 1 ILE CB 1 1
18 3227 1 1 2 ILE CD1 C -5.313 -7.220 -0.916 1.00 . A A . 1 ILE CD1 1 1
18 3228 1 1 2 ILE CG1 C -5.617 -7.461 0.556 1.00 . A A . 1 ILE CG1 1 1
18 3229 1 1 2 ILE CG2 C -7.825 -6.240 0.624 1.00 . A A . 1 ILE CG2 1 1
18 3230 1 1 2 ILE H H -4.525 -4.589 -0.380 1.00 . A A . 1 ILE H 1 1
18 3231 1 1 2 ILE HA H -6.355 -4.251 1.693 1.00 . A A . 1 ILE HA 1 1
18 3232 1 1 2 ILE HB H -6.578 -6.623 2.289 1.00 . A A . 1 ILE HB 1 1
18 3233 1 1 2 ILE HD11 H -4.528 -6.481 -1.011 1.00 . A A . 1 ILE HD11 1 1
18 3234 1 1 2 ILE HD12 H -6.200 -6.866 -1.417 1.00 . A A . 1 ILE HD12 1 1
18 3235 1 1 2 ILE HD13 H -4.990 -8.144 -1.370 1.00 . A A . 1 ILE HD13 1 1
18 3236 1 1 2 ILE HG12 H -4.674 -7.570 1.069 1.00 . A A . 1 ILE HG12 1 1
18 3237 1 1 2 ILE HG13 H -6.161 -8.393 0.630 1.00 . A A . 1 ILE HG13 1 1
18 3238 1 1 2 ILE HG21 H -8.272 -7.221 0.559 1.00 . A A . 1 ILE HG21 1 1
18 3239 1 1 2 ILE HG22 H -7.740 -5.816 -0.365 1.00 . A A . 1 ILE HG22 1 1
18 3240 1 1 2 ILE HG23 H -8.446 -5.603 1.237 1.00 . A A . 1 ILE HG23 1 1
18 3241 1 1 2 ILE N N -5.484 -4.542 -0.184 1.00 . A A . 1 ILE N 1 1
18 3242 1 1 2 ILE O O -4.354 -4.805 3.181 1.00 . A A . 1 ILE O 1 1
18 3243 1 1 3 ALA C C -0.956 -5.803 0.809 1.00 . A A . 2 ALA C 1 1
18 3244 1 1 3 ALA CA C -2.029 -5.622 1.880 1.00 . A A . 2 ALA CA 1 1
18 3245 1 1 3 ALA CB C -2.014 -6.799 2.844 1.00 . A A . 2 ALA CB 1 1
18 3246 1 1 3 ALA H H -3.461 -5.674 0.323 1.00 . A A . 2 ALA H 1 1
18 3247 1 1 3 ALA HA H -1.816 -4.723 2.441 1.00 . A A . 2 ALA HA 1 1
18 3248 1 1 3 ALA HB1 H -2.298 -7.699 2.318 1.00 . A A . 2 ALA HB1 1 1
18 3249 1 1 3 ALA HB2 H -2.712 -6.617 3.648 1.00 . A A . 2 ALA HB2 1 1
18 3250 1 1 3 ALA HB3 H -1.020 -6.919 3.252 1.00 . A A . 2 ALA HB3 1 1
18 3251 1 1 3 ALA N N -3.348 -5.476 1.277 1.00 . A A . 2 ALA N 1 1
18 3252 1 1 3 ALA O O -0.978 -6.780 0.060 1.00 . A A . 2 ALA O 1 1
18 3253 1 1 4 DHA C C 2.146 -3.899 0.280 1.00 . A A . 3 DHA C 1 1
18 3254 1 1 4 DHA CA C 1.123 -4.815 -0.168 1.00 . A A . 3 DHA CA 1 1
18 3255 1 1 4 DHA CB C 1.261 -5.522 -1.279 1.00 . A A . 3 DHA CB 1 1
18 3256 1 1 4 DHA H H -0.087 -4.123 1.400 1.00 . A A . 3 DHA H 1 1
18 3257 1 1 4 DHA HB1 H 0.487 -6.206 -1.585 1.00 . A A . 3 DHA HB1 1 1
18 3258 1 1 4 DHA HB2 H 2.154 -5.418 -1.877 1.00 . A A . 3 DHA HB2 1 1
18 3259 1 1 4 DHA N N -0.018 -4.856 0.753 1.00 . A A . 3 DHA N 1 1
18 3260 1 1 4 DHA O O 1.941 -3.309 1.337 1.00 . A A . 3 DHA O 1 1
18 3261 1 1 5 ALA C C 4.496 -1.726 -1.132 1.00 . A A . 4 ALA C 1 1
18 3262 1 1 5 ALA CA C 4.262 -2.769 -0.048 1.00 . A A . 4 ALA CA 1 1
18 3263 1 1 5 ALA CB C 5.537 -3.519 0.276 1.00 . A A . 4 ALA CB 1 1
18 3264 1 1 5 ALA H H 3.345 -4.218 -1.283 1.00 . A A . 4 ALA H 1 1
18 3265 1 1 5 ALA HA H 3.928 -2.270 0.851 1.00 . A A . 4 ALA HA 1 1
18 3266 1 1 5 ALA HB1 H 6.252 -2.843 0.719 1.00 . A A . 4 ALA HB1 1 1
18 3267 1 1 5 ALA HB2 H 5.946 -3.939 -0.630 1.00 . A A . 4 ALA HB2 1 1
18 3268 1 1 5 ALA HB3 H 5.311 -4.315 0.972 1.00 . A A . 4 ALA HB3 1 1
18 3269 1 1 5 ALA N N 3.232 -3.711 -0.453 1.00 . A A . 4 ALA N 1 1
18 3270 1 1 5 ALA O O 4.885 -2.060 -2.251 1.00 . A A . 4 ALA O 1 1
18 3271 1 1 6 SER C C 3.254 0.483 -2.810 1.00 . A A . 5 SER C 1 1
18 3272 1 1 6 SER CA C 4.300 0.646 -1.808 1.00 . A A . 5 SER CA 1 1
18 3273 1 1 6 SER CB C 5.719 0.756 -2.439 1.00 . A A . 5 SER CB 1 1
18 3274 1 1 6 SER H H 4.029 -0.252 0.144 1.00 . A A . 5 SER H 1 1
18 3275 1 1 6 SER HB2 H 5.918 -0.116 -3.040 1.00 . A A . 5 SER HB2 1 1
18 3276 1 1 6 SER HB3 H 5.769 1.640 -3.060 1.00 . A A . 5 SER HB3 1 1
18 3277 1 1 6 SER N N 4.248 -0.459 -0.789 1.00 . A A . 5 SER N 1 1
18 3278 1 1 7 . C C -0.122 0.806 -3.935 1.00 . A A . 6 BB9 C 1 1
18 3279 1 1 7 . CA C 1.294 0.528 -3.806 1.00 . A A . 6 BB9 CA 1 1
18 3280 1 1 7 . CB C 2.055 -0.066 -4.855 1.00 . A A . 6 BB9 CB 1 1
18 3281 1 1 7 . HB H 1.674 -0.367 -5.820 1.00 . A A . 6 BB9 HB 1 1
18 3282 1 1 7 . N N 2.006 0.813 -2.695 1.00 . A A . 6 BB9 N 1 1
18 3283 1 1 7 . O O -0.783 0.586 -4.950 1.00 . A A . 6 BB9 O 1 1
18 3284 1 1 7 . SG S 3.646 -0.220 -4.335 1.00 . A A . 6 BB9 SG 1 1
18 3285 1 1 8 THR C C -1.874 3.420 -2.659 1.00 . A A . 7 THR C 1 1
18 3286 1 1 8 THR CA C -1.981 1.912 -2.821 1.00 . A A . 7 THR CA 1 1
18 3287 1 1 8 THR CB C -2.885 1.338 -1.711 1.00 . A A . 7 THR CB 1 1
18 3288 1 1 8 THR CG2 C -2.265 1.521 -0.333 1.00 . A A . 7 THR CG2 1 1
18 3289 1 1 8 THR H H -0.144 1.275 -1.986 1.00 . A A . 7 THR H 1 1
18 3290 1 1 8 THR HA H -2.443 1.701 -3.776 1.00 . A A . 7 THR HA 1 1
18 3291 1 1 8 THR HB H -3.017 0.282 -1.891 1.00 . A A . 7 THR HB 1 1
18 3292 1 1 8 THR HG1 H -4.823 1.400 -1.342 1.00 . A A . 7 THR HG1 1 1
18 3293 1 1 8 THR HG21 H -2.841 0.973 0.397 1.00 . A A . 7 THR HG21 1 1
18 3294 1 1 8 THR HG22 H -2.263 2.569 -0.074 1.00 . A A . 7 THR HG22 1 1
18 3295 1 1 8 THR HG23 H -1.253 1.151 -0.344 1.00 . A A . 7 THR HG23 1 1
18 3296 1 1 8 THR N N -0.653 1.312 -2.823 1.00 . A A . 7 THR N 1 1
18 3297 1 1 8 THR O O -0.805 3.946 -2.349 1.00 . A A . 7 THR O 1 1
18 3298 1 1 8 THR OG1 O -4.168 1.975 -1.744 1.00 . A A . 7 THR OG1 1 1
18 3299 1 1 9 DBU C C -3.418 6.206 -1.616 1.00 . A A . 8 DBU C 1 1
18 3300 1 1 9 DBU CA C -3.063 5.567 -2.901 1.00 . A A . 8 DBU CA 1 1
18 3301 1 1 9 DBU CB C -2.836 6.288 -3.985 1.00 . A A . 8 DBU CB 1 1
18 3302 1 1 9 DBU CG C -2.457 5.643 -5.327 1.00 . A A . 8 DBU CG 1 1
18 3303 1 1 9 DBU HG1 H -3.341 5.236 -5.794 1.00 . A A . 8 DBU HG1 1 1
18 3304 1 1 9 DBU HG2 H -1.743 4.846 -5.150 1.00 . A A . 8 DBU HG2 1 1
18 3305 1 1 9 DBU HG3 H -2.014 6.386 -5.974 1.00 . A A . 8 DBU HG3 1 1
18 3306 1 1 9 DBU N N -2.981 4.110 -2.870 1.00 . A A . 8 DBU N 1 1
18 3307 1 1 10 CYS C C -4.578 5.646 1.691 1.00 . A A . 9 CYS C 1 1
18 3308 1 1 10 CYS CA C -3.801 6.401 0.637 1.00 . A A . 9 CYS CA 1 1
18 3309 1 1 10 CYS CB C -4.628 7.554 0.078 1.00 . A A . 9 CYS CB 1 1
18 3310 1 1 10 CYS HA H -2.904 6.808 1.085 1.00 . A A . 9 CYS HA 1 1
18 3311 1 1 10 CYS HB2 H -5.668 7.260 -0.015 1.00 . A A . 9 CYS HB2 1 1
18 3312 1 1 10 CYS HB3 H -4.530 8.430 0.694 1.00 . A A . 9 CYS HB3 1 1
18 3313 1 1 10 CYS N N -3.409 5.553 -0.488 1.00 . A A . 9 CYS N 1 1
18 3314 1 1 10 CYS O O -5.249 6.286 2.502 1.00 . A A . 9 CYS O 1 1
18 3315 1 1 10 CYS SG S -3.891 7.870 -1.534 1.00 . A A . 9 CYS SG 1 1
18 3316 1 1 11 . C C -4.055 2.939 3.643 1.00 . A A . 10 TS9 C 1 1
18 3317 1 1 11 . CA C -5.129 3.499 2.709 1.00 . A A . 10 TS9 CA 1 1
18 3318 1 1 11 . CB C -5.971 2.348 2.056 1.00 . A A . 10 TS9 CB 1 1
18 3319 1 1 11 . CD1 C -7.695 2.011 0.120 1.00 . A A . 10 TS9 CD1 1 1
18 3320 1 1 11 . CG1 C -6.863 2.990 0.937 1.00 . A A . 10 TS9 CG1 1 1
18 3321 1 1 11 . CG2 C -6.821 1.665 3.083 1.00 . A A . 10 TS9 CG2 1 1
18 3322 1 1 11 . H H -3.988 3.877 0.971 1.00 . A A . 10 TS9 H 1 1
18 3323 1 1 11 . HA H -5.791 4.138 3.277 1.00 . A A . 10 TS9 HA 1 1
18 3324 1 1 11 . HD11 H -7.050 1.255 -0.302 1.00 . A A . 10 TS9 HD11 1 1
18 3325 1 1 11 . HD12 H -8.195 2.542 -0.677 1.00 . A A . 10 TS9 HD12 1 1
18 3326 1 1 11 . HD13 H -8.430 1.543 0.756 1.00 . A A . 10 TS9 HD13 1 1
18 3327 1 1 11 . HD2 H -8.623 3.546 1.635 1.00 . A A . 10 TS9 HD2 1 1
18 3328 1 1 11 . HG1 H -6.235 3.541 0.255 1.00 . A A . 10 TS9 HG1 1 1
18 3329 1 1 11 . HG21 H -7.503 2.379 3.519 1.00 . A A . 10 TS9 HG21 1 1
18 3330 1 1 11 . HG22 H -6.190 1.251 3.854 1.00 . A A . 10 TS9 HG22 1 1
18 3331 1 1 11 . HG23 H -7.383 0.871 2.615 1.00 . A A . 10 TS9 HG23 1 1
18 3332 1 1 11 . HG3 H -4.836 0.753 2.118 1.00 . A A . 10 TS9 HG3 1 1
18 3333 1 1 11 . N N -4.493 4.318 1.685 1.00 . A A . 10 TS9 N 1 1
18 3334 1 1 11 . OD2 O -7.736 3.913 1.601 1.00 . A A . 10 TS9 OD2 1 1
18 3335 1 1 11 . OG3 O -5.093 1.408 1.465 1.00 . A A . 10 TS9 OG3 1 1
18 3336 1 1 12 . C C -0.857 1.440 4.164 1.00 . A A . 11 BB9 C 1 1
18 3337 1 1 12 . CA C -2.173 2.032 4.306 1.00 . A A . 11 BB9 CA 1 1
18 3338 1 1 12 . CB C -2.790 2.228 5.582 1.00 . A A . 11 BB9 CB 1 1
18 3339 1 1 12 . HB H -2.360 1.966 6.538 1.00 . A A . 11 BB9 HB 1 1
18 3340 1 1 12 . N N -2.922 2.447 3.259 1.00 . A A . 11 BB9 N 1 1
18 3341 1 1 12 . O O -0.157 1.068 5.105 1.00 . A A . 11 BB9 O 1 1
18 3342 1 1 12 . SG S -4.300 2.937 5.344 1.00 . A A . 11 BB9 SG 1 1
18 3343 1 1 13 THR C C 1.431 1.530 1.352 1.00 . A A . 12 THR C 1 1
18 3344 1 1 13 THR CA C 0.834 0.770 2.534 1.00 . A A . 12 THR CA 1 1
18 3345 1 1 13 THR CB C 0.742 -0.738 2.223 1.00 . A A . 12 THR CB 1 1
18 3346 1 1 13 THR CG2 C 0.510 -1.551 3.483 1.00 . A A . 12 THR CG2 1 1
18 3347 1 1 13 THR H H -1.078 1.619 2.181 1.00 . A A . 12 THR H 1 1
18 3348 1 1 13 THR HA H 1.484 0.890 3.388 1.00 . A A . 12 THR HA 1 1
18 3349 1 1 13 THR HB H 1.664 -1.067 1.760 1.00 . A A . 12 THR HB 1 1
18 3350 1 1 13 THR HG21 H 1.273 -1.316 4.210 1.00 . A A . 12 THR HG21 1 1
18 3351 1 1 13 THR HG22 H 0.552 -2.603 3.245 1.00 . A A . 12 THR HG22 1 1
18 3352 1 1 13 THR HG23 H -0.461 -1.313 3.891 1.00 . A A . 12 THR HG23 1 1
18 3353 1 1 13 THR N N -0.472 1.325 2.893 1.00 . A A . 12 THR N 1 1
18 3354 1 1 13 THR OG1 O -0.411 -1.015 1.332 1.00 . A A . 12 THR OG1 1 1
18 3355 1 1 14 . C C 4.132 1.974 -0.987 1.00 . A A . 13 BB9 C 1 1
18 3356 1 1 14 . CA C 2.841 2.111 -0.224 1.00 . A A . 13 BB9 CA 1 1
18 3357 1 1 14 . CB C 1.813 3.075 -0.472 1.00 . A A . 13 BB9 CB 1 1
18 3358 1 1 14 . HB H 1.829 3.828 -1.244 1.00 . A A . 13 BB9 HB 1 1
18 3359 1 1 14 . N N 2.578 1.274 0.805 1.00 . A A . 13 BB9 N 1 1
18 3360 1 1 14 . SG S 0.573 2.838 0.640 1.00 . A A . 13 BB9 SG 1 1
18 3361 1 1 15 . C C 7.325 1.790 0.913 1.00 . A A . 14 MH6 C 1 1
18 3362 1 1 15 . CA C 6.336 1.604 -0.169 1.00 . A A . 14 MH6 CA 1 1
18 3363 1 1 15 . CB C 6.789 0.855 -1.354 1.00 . A A . 14 MH6 CB 1 1
18 3364 1 1 15 . HB2 H 7.061 -0.144 -1.052 1.00 . A A . 14 MH6 HB2 1 1
18 3365 1 1 15 . HB3 H 7.656 1.342 -1.777 1.00 . A A . 14 MH6 HB3 1 1
18 3366 1 1 15 . N N 5.173 2.115 0.041 1.00 . A A . 14 MH6 N 1 1
18 3367 1 1 16 . C C 10.630 1.302 2.148 1.00 . A A . 15 BB9 C 1 1
18 3368 1 1 16 . CA C 9.239 1.663 1.962 1.00 . A A . 15 BB9 CA 1 1
18 3369 1 1 16 . CB C 8.486 2.368 2.955 1.00 . A A . 15 BB9 CB 1 1
18 3370 1 1 16 . HB H 8.858 2.694 3.914 1.00 . A A . 15 BB9 HB 1 1
18 3371 1 1 16 . N N 8.542 1.366 0.845 1.00 . A A . 15 BB9 N 1 1
18 3372 1 1 16 . O O 11.282 1.549 3.161 1.00 . A A . 15 BB9 O 1 1
18 3373 1 1 16 . SG S 6.920 2.601 2.374 1.00 . A A . 15 BB9 SG 1 1
18 3374 1 1 17 DHA C C 12.792 -0.346 -0.396 1.00 . A A . 16 DHA C 1 1
18 3375 1 1 17 DHA CA C 12.513 0.166 0.937 1.00 . A A . 16 DHA CA 1 1
18 3376 1 1 17 DHA CB C 13.440 0.150 1.885 1.00 . A A . 16 DHA CB 1 1
18 3377 1 1 17 DHA H H 10.534 0.563 0.317 1.00 . A A . 16 DHA H 1 1
18 3378 1 1 17 DHA HB1 H 14.420 -0.250 1.673 1.00 . A A . 16 DHA HB1 1 1
18 3379 1 1 17 DHA HB2 H 13.218 0.533 2.868 1.00 . A A . 16 DHA HB2 1 1
18 3380 1 1 17 DHA N N 11.138 0.680 1.081 1.00 . A A . 16 DHA N 1 1
18 3381 1 1 17 DHA O O 11.884 -0.297 -1.226 1.00 . A A . 16 DHA O 1 1
18 3382 1 1 18 NH2 HN1 H 14.176 -1.187 -1.571 1.00 . A A . 17 NH2 HN1 1 1
18 3383 1 1 18 NH2 HN2 H 14.681 -0.859 0.026 1.00 . A A . 17 NH2 HN2 1 1
18 3384 1 1 18 NH2 N N 13.994 -0.843 -0.672 1.00 . A A . 17 NH2 N 1 1
19 3385 1 1 1 QUA C10 C -3.714 -2.407 -1.997 1.00 . A A . 0 QUA C10 1 1
19 3386 1 1 1 QUA C11 C -0.184 -1.333 0.092 1.00 . A A . 0 QUA C11 1 1
19 3387 1 1 1 QUA C13 C -2.413 -2.693 -4.167 1.00 . A A . 0 QUA C13 1 1
19 3388 1 1 1 QUA C14 C -2.437 -4.207 -4.351 1.00 . A A . 0 QUA C14 1 1
19 3389 1 1 1 QUA C2 C -1.444 -1.710 -0.622 1.00 . A A . 0 QUA C2 1 1
19 3390 1 1 1 QUA C3 C -1.343 -2.003 -1.978 1.00 . A A . 0 QUA C3 1 1
19 3391 1 1 1 QUA C4 C -2.495 -2.356 -2.681 1.00 . A A . 0 QUA C4 1 1
19 3392 1 1 1 QUA C5 C -4.986 -2.757 -2.657 1.00 . A A . 0 QUA C5 1 1
19 3393 1 1 1 QUA C6 C -6.016 -3.135 -1.978 1.00 . A A . 0 QUA C6 1 1
19 3394 1 1 1 QUA C7 C -5.964 -3.250 -0.456 1.00 . A A . 0 QUA C7 1 1
19 3395 1 1 1 QUA C8 C -5.028 -2.162 0.138 1.00 . A A . 0 QUA C8 1 1
19 3396 1 1 1 QUA C9 C -3.720 -2.101 -0.644 1.00 . A A . 0 QUA C9 1 1
19 3397 1 1 1 QUA H13 H -3.264 -2.275 -4.681 1.00 . A A . 0 QUA H13 1 1
19 3398 1 1 1 QUA H141 H -2.652 -4.442 -5.383 1.00 . A A . 0 QUA H141 1 1
19 3399 1 1 1 QUA H142 H -3.200 -4.640 -3.714 1.00 . A A . 0 QUA H142 1 1
19 3400 1 1 1 QUA H143 H -1.474 -4.617 -4.083 1.00 . A A . 0 QUA H143 1 1
19 3401 1 1 1 QUA H15 H -1.408 -1.843 -5.638 1.00 . A A . 0 QUA H15 1 1
19 3402 1 1 1 QUA H16 H -6.531 -0.980 -0.342 1.00 . A A . 0 QUA H16 1 1
19 3403 1 1 1 QUA HC3 H -0.387 -1.955 -2.478 1.00 . A A . 0 QUA HC3 1 1
19 3404 1 1 1 QUA HC5 H -5.066 -2.691 -3.729 1.00 . A A . 0 QUA HC5 1 1
19 3405 1 1 1 QUA HC6 H -6.929 -3.378 -2.499 1.00 . A A . 0 QUA HC6 1 1
19 3406 1 1 1 QUA HC71 H -6.953 -3.148 -0.041 1.00 . A A . 0 QUA HC71 1 1
19 3407 1 1 1 QUA HC8 H -4.819 -2.422 1.166 1.00 . A A . 0 QUA HC8 1 1
19 3408 1 1 1 QUA N1 N -2.616 -1.753 0.071 1.00 . A A . 0 QUA N1 1 1
19 3409 1 1 1 QUA O12 O 0.917 -1.295 -0.457 1.00 . A A . 0 QUA O12 1 1
19 3410 1 1 1 QUA O15 O -1.217 -2.161 -4.753 1.00 . A A . 0 QUA O15 1 1
19 3411 1 1 1 QUA O16 O -5.693 -0.893 0.115 1.00 . A A . 0 QUA O16 1 1
19 3412 1 1 2 ILE C C -4.438 -5.150 2.008 1.00 . A A . 1 ILE C 1 1
19 3413 1 1 2 ILE CA C -5.719 -5.124 1.180 1.00 . A A . 1 ILE CA 1 1
19 3414 1 1 2 ILE CB C -6.339 -6.546 1.147 1.00 . A A . 1 ILE CB 1 1
19 3415 1 1 2 ILE CD1 C -5.050 -7.262 -0.986 1.00 . A A . 1 ILE CD1 1 1
19 3416 1 1 2 ILE CG1 C -5.405 -7.570 0.463 1.00 . A A . 1 ILE CG1 1 1
19 3417 1 1 2 ILE CG2 C -7.697 -6.514 0.461 1.00 . A A . 1 ILE CG2 1 1
19 3418 1 1 2 ILE H H -4.485 -4.646 -0.360 1.00 . A A . 1 ILE H 1 1
19 3419 1 1 2 ILE HA H -6.427 -4.454 1.649 1.00 . A A . 1 ILE HA 1 1
19 3420 1 1 2 ILE HB H -6.500 -6.855 2.170 1.00 . A A . 1 ILE HB 1 1
19 3421 1 1 2 ILE HD11 H -5.936 -6.951 -1.521 1.00 . A A . 1 ILE HD11 1 1
19 3422 1 1 2 ILE HD12 H -4.646 -8.148 -1.453 1.00 . A A . 1 ILE HD12 1 1
19 3423 1 1 2 ILE HD13 H -4.312 -6.472 -1.023 1.00 . A A . 1 ILE HD13 1 1
19 3424 1 1 2 ILE HG12 H -4.480 -7.630 1.016 1.00 . A A . 1 ILE HG12 1 1
19 3425 1 1 2 ILE HG13 H -5.883 -8.539 0.483 1.00 . A A . 1 ILE HG13 1 1
19 3426 1 1 2 ILE HG21 H -8.392 -5.949 1.063 1.00 . A A . 1 ILE HG21 1 1
19 3427 1 1 2 ILE HG22 H -8.062 -7.523 0.341 1.00 . A A . 1 ILE HG22 1 1
19 3428 1 1 2 ILE HG23 H -7.600 -6.049 -0.509 1.00 . A A . 1 ILE HG23 1 1
19 3429 1 1 2 ILE N N -5.450 -4.624 -0.192 1.00 . A A . 1 ILE N 1 1
19 3430 1 1 2 ILE O O -4.448 -4.850 3.202 1.00 . A A . 1 ILE O 1 1
19 3431 1 1 3 ALA C C -0.936 -5.821 0.969 1.00 . A A . 2 ALA C 1 1
19 3432 1 1 3 ALA CA C -2.034 -5.592 2.002 1.00 . A A . 2 ALA CA 1 1
19 3433 1 1 3 ALA CB C -2.021 -6.709 3.039 1.00 . A A . 2 ALA CB 1 1
19 3434 1 1 3 ALA H H -3.404 -5.731 0.400 1.00 . A A . 2 ALA H 1 1
19 3435 1 1 3 ALA HA H -1.852 -4.654 2.509 1.00 . A A . 2 ALA HA 1 1
19 3436 1 1 3 ALA HB1 H -2.760 -6.503 3.800 1.00 . A A . 2 ALA HB1 1 1
19 3437 1 1 3 ALA HB2 H -1.044 -6.766 3.494 1.00 . A A . 2 ALA HB2 1 1
19 3438 1 1 3 ALA HB3 H -2.250 -7.648 2.559 1.00 . A A . 2 ALA HB3 1 1
19 3439 1 1 3 ALA N N -3.337 -5.512 1.353 1.00 . A A . 2 ALA N 1 1
19 3440 1 1 3 ALA O O -0.899 -6.865 0.318 1.00 . A A . 2 ALA O 1 1
19 3441 1 1 4 DHA C C 2.110 -3.898 0.284 1.00 . A A . 3 DHA C 1 1
19 3442 1 1 4 DHA CA C 1.071 -4.817 -0.119 1.00 . A A . 3 DHA CA 1 1
19 3443 1 1 4 DHA CB C 1.168 -5.538 -1.224 1.00 . A A . 3 DHA CB 1 1
19 3444 1 1 4 DHA H H -0.111 -4.083 1.449 1.00 . A A . 3 DHA H 1 1
19 3445 1 1 4 DHA HB1 H 0.379 -6.225 -1.494 1.00 . A A . 3 DHA HB1 1 1
19 3446 1 1 4 DHA HB2 H 2.040 -5.448 -1.854 1.00 . A A . 3 DHA HB2 1 1
19 3447 1 1 4 DHA N N -0.039 -4.845 0.835 1.00 . A A . 3 DHA N 1 1
19 3448 1 1 4 DHA O O 1.940 -3.294 1.341 1.00 . A A . 3 DHA O 1 1
19 3449 1 1 5 ALA C C 4.447 -1.747 -1.183 1.00 . A A . 4 ALA C 1 1
19 3450 1 1 5 ALA CA C 4.231 -2.800 -0.105 1.00 . A A . 4 ALA CA 1 1
19 3451 1 1 5 ALA CB C 5.504 -3.575 0.166 1.00 . A A . 4 ALA CB 1 1
19 3452 1 1 5 ALA H H 3.245 -4.218 -1.325 1.00 . A A . 4 ALA H 1 1
19 3453 1 1 5 ALA HA H 3.937 -2.306 0.810 1.00 . A A . 4 ALA HA 1 1
19 3454 1 1 5 ALA HB1 H 5.862 -4.011 -0.754 1.00 . A A . 4 ALA HB1 1 1
19 3455 1 1 5 ALA HB2 H 5.293 -4.359 0.879 1.00 . A A . 4 ALA HB2 1 1
19 3456 1 1 5 ALA HB3 H 6.252 -2.911 0.570 1.00 . A A . 4 ALA HB3 1 1
19 3457 1 1 5 ALA N N 3.171 -3.720 -0.484 1.00 . A A . 4 ALA N 1 1
19 3458 1 1 5 ALA O O 4.821 -2.071 -2.310 1.00 . A A . 4 ALA O 1 1
19 3459 1 1 6 SER C C 3.266 0.505 -2.854 1.00 . A A . 5 SER C 1 1
19 3460 1 1 6 SER CA C 4.291 0.634 -1.824 1.00 . A A . 5 SER CA 1 1
19 3461 1 1 6 SER CB C 5.727 0.732 -2.417 1.00 . A A . 5 SER CB 1 1
19 3462 1 1 6 SER H H 3.959 -0.291 0.104 1.00 . A A . 5 SER H 1 1
19 3463 1 1 6 SER HB2 H 5.929 -0.131 -3.032 1.00 . A A . 5 SER HB2 1 1
19 3464 1 1 6 SER HB3 H 5.811 1.627 -3.015 1.00 . A A . 5 SER HB3 1 1
19 3465 1 1 6 SER N N 4.201 -0.485 -0.825 1.00 . A A . 5 SER N 1 1
19 3466 1 1 7 . C C -0.094 0.847 -4.029 1.00 . A A . 6 BB9 C 1 1
19 3467 1 1 7 . CA C 1.324 0.577 -3.885 1.00 . A A . 6 BB9 CA 1 1
19 3468 1 1 7 . CB C 2.111 0.036 -4.945 1.00 . A A . 6 BB9 CB 1 1
19 3469 1 1 7 . HB H 1.751 -0.226 -5.929 1.00 . A A . 6 BB9 HB 1 1
19 3470 1 1 7 . N N 2.013 0.818 -2.749 1.00 . A A . 6 BB9 N 1 1
19 3471 1 1 7 . O O -0.737 0.660 -5.062 1.00 . A A . 6 BB9 O 1 1
19 3472 1 1 7 . SG S 3.695 -0.127 -4.400 1.00 . A A . 6 BB9 SG 1 1
19 3473 1 1 8 THR C C -1.846 3.429 -2.732 1.00 . A A . 7 THR C 1 1
19 3474 1 1 8 THR CA C -1.971 1.923 -2.912 1.00 . A A . 7 THR CA 1 1
19 3475 1 1 8 THR CB C -2.894 1.343 -1.817 1.00 . A A . 7 THR CB 1 1
19 3476 1 1 8 THR CG2 C -2.306 1.542 -0.429 1.00 . A A . 7 THR CG2 1 1
19 3477 1 1 8 THR H H -0.159 1.231 -2.063 1.00 . A A . 7 THR H 1 1
19 3478 1 1 8 THR HA H -2.424 1.728 -3.874 1.00 . A A . 7 THR HA 1 1
19 3479 1 1 8 THR HB H -3.008 0.286 -1.993 1.00 . A A . 7 THR HB 1 1
19 3480 1 1 8 THR HG1 H -4.778 1.530 -1.269 1.00 . A A . 7 THR HG1 1 1
19 3481 1 1 8 THR HG21 H -2.914 1.020 0.296 1.00 . A A . 7 THR HG21 1 1
19 3482 1 1 8 THR HG22 H -2.289 2.596 -0.190 1.00 . A A . 7 THR HG22 1 1
19 3483 1 1 8 THR HG23 H -1.302 1.151 -0.404 1.00 . A A . 7 THR HG23 1 1
19 3484 1 1 8 THR N N -0.649 1.309 -2.909 1.00 . A A . 7 THR N 1 1
19 3485 1 1 8 THR O O -0.760 3.941 -2.457 1.00 . A A . 7 THR O 1 1
19 3486 1 1 8 THR OG1 O -4.183 1.963 -1.883 1.00 . A A . 7 THR OG1 1 1
19 3487 1 1 9 DBU C C -3.396 6.233 -1.630 1.00 . A A . 8 DBU C 1 1
19 3488 1 1 9 DBU CA C -3.017 5.595 -2.909 1.00 . A A . 8 DBU CA 1 1
19 3489 1 1 9 DBU CB C -2.751 6.322 -3.980 1.00 . A A . 8 DBU CB 1 1
19 3490 1 1 9 DBU CG C -2.345 5.686 -5.317 1.00 . A A . 8 DBU CG 1 1
19 3491 1 1 9 DBU HG1 H -3.217 5.265 -5.795 1.00 . A A . 8 DBU HG1 1 1
19 3492 1 1 9 DBU HG2 H -1.621 4.900 -5.134 1.00 . A A . 8 DBU HG2 1 1
19 3493 1 1 9 DBU HG3 H -1.907 6.438 -5.956 1.00 . A A . 8 DBU HG3 1 1
19 3494 1 1 9 DBU N N -2.953 4.136 -2.888 1.00 . A A . 8 DBU N 1 1
19 3495 1 1 10 CYS C C -4.645 5.688 1.649 1.00 . A A . 9 CYS C 1 1
19 3496 1 1 10 CYS CA C -3.836 6.433 0.610 1.00 . A A . 9 CYS CA 1 1
19 3497 1 1 10 CYS CB C -4.636 7.595 0.031 1.00 . A A . 9 CYS CB 1 1
19 3498 1 1 10 CYS HA H -2.945 6.833 1.079 1.00 . A A . 9 CYS HA 1 1
19 3499 1 1 10 CYS HB2 H -5.676 7.314 -0.090 1.00 . A A . 9 CYS HB2 1 1
19 3500 1 1 10 CYS HB3 H -4.543 8.472 0.647 1.00 . A A . 9 CYS HB3 1 1
19 3501 1 1 10 CYS N N -3.423 5.579 -0.504 1.00 . A A . 9 CYS N 1 1
19 3502 1 1 10 CYS O O -5.445 6.319 2.340 1.00 . A A . 9 CYS O 1 1
19 3503 1 1 10 CYS SG S -3.853 7.901 -1.560 1.00 . A A . 9 CYS SG 1 1
19 3504 1 1 11 . C C -4.024 2.988 3.710 1.00 . A A . 10 TS9 C 1 1
19 3505 1 1 11 . CA C -5.092 3.575 2.789 1.00 . A A . 10 TS9 CA 1 1
19 3506 1 1 11 . CB C -5.969 2.445 2.145 1.00 . A A . 10 TS9 CB 1 1
19 3507 1 1 11 . CD1 C -7.787 2.166 0.292 1.00 . A A . 10 TS9 CD1 1 1
19 3508 1 1 11 . CG1 C -6.930 3.123 1.109 1.00 . A A . 10 TS9 CG1 1 1
19 3509 1 1 11 . CG2 C -6.751 1.717 3.194 1.00 . A A . 10 TS9 CG2 1 1
19 3510 1 1 11 . H H -3.842 3.936 1.123 1.00 . A A . 10 TS9 H 1 1
19 3511 1 1 11 . HA H -5.731 4.230 3.363 1.00 . A A . 10 TS9 HA 1 1
19 3512 1 1 11 . HD11 H -8.331 2.723 -0.459 1.00 . A A . 10 TS9 HD11 1 1
19 3513 1 1 11 . HD12 H -8.487 1.664 0.943 1.00 . A A . 10 TS9 HD12 1 1
19 3514 1 1 11 . HD13 H -7.154 1.436 -0.190 1.00 . A A . 10 TS9 HD13 1 1
19 3515 1 1 11 . HD2 H -8.667 3.977 1.490 1.00 . A A . 10 TS9 HD2 1 1
19 3516 1 1 11 . HG1 H -6.349 3.718 0.422 1.00 . A A . 10 TS9 HG1 1 1
19 3517 1 1 11 . HG21 H -6.073 1.242 3.885 1.00 . A A . 10 TS9 HG21 1 1
19 3518 1 1 11 . HG22 H -7.370 0.966 2.726 1.00 . A A . 10 TS9 HG22 1 1
19 3519 1 1 11 . HG23 H -7.376 2.417 3.728 1.00 . A A . 10 TS9 HG23 1 1
19 3520 1 1 11 . HG3 H -4.373 2.010 1.102 1.00 . A A . 10 TS9 HG3 1 1
19 3521 1 1 11 . N N -4.445 4.377 1.757 1.00 . A A . 10 TS9 N 1 1
19 3522 1 1 11 . OD2 O -7.783 3.993 1.863 1.00 . A A . 10 TS9 OD2 1 1
19 3523 1 1 11 . OG3 O -5.124 1.537 1.466 1.00 . A A . 10 TS9 OG3 1 1
19 3524 1 1 12 . C C -0.844 1.439 4.196 1.00 . A A . 11 BB9 C 1 1
19 3525 1 1 12 . CA C -2.152 2.045 4.352 1.00 . A A . 11 BB9 CA 1 1
19 3526 1 1 12 . CB C -2.762 2.227 5.634 1.00 . A A . 11 BB9 CB 1 1
19 3527 1 1 12 . HB H -2.332 1.943 6.583 1.00 . A A . 11 BB9 HB 1 1
19 3528 1 1 12 . N N -2.898 2.486 3.316 1.00 . A A . 11 BB9 N 1 1
19 3529 1 1 12 . O O -0.144 1.047 5.129 1.00 . A A . 11 BB9 O 1 1
19 3530 1 1 12 . SG S -4.263 2.959 5.413 1.00 . A A . 11 BB9 SG 1 1
19 3531 1 1 13 THR C C 1.419 1.511 1.354 1.00 . A A . 12 THR C 1 1
19 3532 1 1 13 THR CA C 0.831 0.767 2.551 1.00 . A A . 12 THR CA 1 1
19 3533 1 1 13 THR CB C 0.732 -0.744 2.257 1.00 . A A . 12 THR CB 1 1
19 3534 1 1 13 THR CG2 C 0.493 -1.541 3.528 1.00 . A A . 12 THR CG2 1 1
19 3535 1 1 13 THR H H -1.072 1.644 2.215 1.00 . A A . 12 THR H 1 1
19 3536 1 1 13 THR HA H 1.493 0.893 3.395 1.00 . A A . 12 THR HA 1 1
19 3537 1 1 13 THR HB H 1.652 -1.083 1.801 1.00 . A A . 12 THR HB 1 1
19 3538 1 1 13 THR HG21 H 0.542 -2.597 3.305 1.00 . A A . 12 THR HG21 1 1
19 3539 1 1 13 THR HG22 H -0.485 -1.303 3.922 1.00 . A A . 12 THR HG22 1 1
19 3540 1 1 13 THR HG23 H 1.247 -1.291 4.259 1.00 . A A . 12 THR HG23 1 1
19 3541 1 1 13 THR N N -0.467 1.333 2.922 1.00 . A A . 12 THR N 1 1
19 3542 1 1 13 THR OG1 O -0.421 -1.026 1.368 1.00 . A A . 12 THR OG1 1 1
19 3543 1 1 14 . C C 4.121 1.951 -0.983 1.00 . A A . 13 BB9 C 1 1
19 3544 1 1 14 . CA C 2.825 2.084 -0.231 1.00 . A A . 13 BB9 CA 1 1
19 3545 1 1 14 . CB C 1.783 3.026 -0.500 1.00 . A A . 13 BB9 CB 1 1
19 3546 1 1 14 . HB H 1.790 3.766 -1.288 1.00 . A A . 13 BB9 HB 1 1
19 3547 1 1 14 . N N 2.571 1.262 0.815 1.00 . A A . 13 BB9 N 1 1
19 3548 1 1 14 . SG S 0.543 2.792 0.614 1.00 . A A . 13 BB9 SG 1 1
19 3549 1 1 15 . C C 7.263 1.711 0.987 1.00 . A A . 14 MH6 C 1 1
19 3550 1 1 15 . CA C 6.303 1.541 -0.123 1.00 . A A . 14 MH6 CA 1 1
19 3551 1 1 15 . CB C 6.769 0.788 -1.300 1.00 . A A . 14 MH6 CB 1 1
19 3552 1 1 15 . HB2 H 7.002 -0.221 -1.000 1.00 . A A . 14 MH6 HB2 1 1
19 3553 1 1 15 . HB3 H 7.664 1.252 -1.693 1.00 . A A . 14 MH6 HB3 1 1
19 3554 1 1 15 . N N 5.146 2.069 0.062 1.00 . A A . 14 MH6 N 1 1
19 3555 1 1 16 . C C 10.519 1.196 2.337 1.00 . A A . 15 BB9 C 1 1
19 3556 1 1 16 . CA C 9.138 1.566 2.101 1.00 . A A . 15 BB9 CA 1 1
19 3557 1 1 16 . CB C 8.358 2.276 3.068 1.00 . A A . 15 BB9 CB 1 1
19 3558 1 1 16 . HB H 8.699 2.598 4.041 1.00 . A A . 15 BB9 HB 1 1
19 3559 1 1 16 . N N 8.478 1.275 0.957 1.00 . A A . 15 BB9 N 1 1
19 3560 1 1 16 . O O 11.135 1.444 3.373 1.00 . A A . 15 BB9 O 1 1
19 3561 1 1 16 . SG S 6.815 2.523 2.434 1.00 . A A . 15 BB9 SG 1 1
19 3562 1 1 17 DHA C C 12.750 -0.537 -0.090 1.00 . A A . 16 DHA C 1 1
19 3563 1 1 17 DHA CA C 12.447 0.056 1.202 1.00 . A A . 16 DHA CA 1 1
19 3564 1 1 17 DHA CB C 13.362 0.116 2.159 1.00 . A A . 16 DHA CB 1 1
19 3565 1 1 17 DHA H H 10.480 0.414 0.521 1.00 . A A . 16 DHA H 1 1
19 3566 1 1 17 DHA HB1 H 14.350 -0.281 1.985 1.00 . A A . 16 DHA HB1 1 1
19 3567 1 1 17 DHA HB2 H 13.124 0.559 3.113 1.00 . A A . 16 DHA HB2 1 1
19 3568 1 1 17 DHA N N 11.061 0.557 1.296 1.00 . A A . 16 DHA N 1 1
19 3569 1 1 17 DHA O O 11.853 -0.556 -0.932 1.00 . A A . 16 DHA O 1 1
19 3570 1 1 18 NH2 HN1 H 14.166 -1.427 -1.190 1.00 . A A . 17 NH2 HN1 1 1
19 3571 1 1 18 NH2 HN2 H 14.641 -0.985 0.390 1.00 . A A . 17 NH2 HN2 1 1
19 3572 1 1 18 NH2 N N 13.964 -1.029 -0.318 1.00 . A A . 17 NH2 N 1 1
20 3573 1 1 1 QUA C10 C -3.695 -2.426 -2.055 1.00 . A A . 0 QUA C10 1 1
20 3574 1 1 1 QUA C11 C -0.171 -1.364 0.054 1.00 . A A . 0 QUA C11 1 1
20 3575 1 1 1 QUA C13 C -2.370 -2.807 -4.193 1.00 . A A . 0 QUA C13 1 1
20 3576 1 1 1 QUA C14 C -2.425 -4.326 -4.326 1.00 . A A . 0 QUA C14 1 1
20 3577 1 1 1 QUA C2 C -1.430 -1.737 -0.666 1.00 . A A . 0 QUA C2 1 1
20 3578 1 1 1 QUA C3 C -1.315 -2.071 -2.010 1.00 . A A . 0 QUA C3 1 1
20 3579 1 1 1 QUA C4 C -2.466 -2.423 -2.721 1.00 . A A . 0 QUA C4 1 1
20 3580 1 1 1 QUA C5 C -4.964 -2.769 -2.724 1.00 . A A . 0 QUA C5 1 1
20 3581 1 1 1 QUA C6 C -6.010 -3.108 -2.050 1.00 . A A . 0 QUA C6 1 1
20 3582 1 1 1 QUA C7 C -5.977 -3.184 -0.527 1.00 . A A . 0 QUA C7 1 1
20 3583 1 1 1 QUA C8 C -5.035 -2.093 0.052 1.00 . A A . 0 QUA C8 1 1
20 3584 1 1 1 QUA C9 C -3.714 -2.080 -0.711 1.00 . A A . 0 QUA C9 1 1
20 3585 1 1 1 QUA H13 H -3.204 -2.388 -4.732 1.00 . A A . 0 QUA H13 1 1
20 3586 1 1 1 QUA H141 H -3.209 -4.721 -3.691 1.00 . A A . 0 QUA H141 1 1
20 3587 1 1 1 QUA H142 H -1.476 -4.748 -4.028 1.00 . A A . 0 QUA H142 1 1
20 3588 1 1 1 QUA H143 H -2.628 -4.590 -5.353 1.00 . A A . 0 QUA H143 1 1
20 3589 1 1 1 QUA H15 H -1.352 -1.595 -5.372 1.00 . A A . 0 QUA H15 1 1
20 3590 1 1 1 QUA H16 H -5.188 -0.241 -0.616 1.00 . A A . 0 QUA H16 1 1
20 3591 1 1 1 QUA HC3 H -0.353 -2.059 -2.499 1.00 . A A . 0 QUA HC3 1 1
20 3592 1 1 1 QUA HC5 H -5.027 -2.729 -3.799 1.00 . A A . 0 QUA HC5 1 1
20 3593 1 1 1 QUA HC6 H -6.920 -3.346 -2.576 1.00 . A A . 0 QUA HC6 1 1
20 3594 1 1 1 QUA HC71 H -6.970 -3.062 -0.125 1.00 . A A . 0 QUA HC71 1 1
20 3595 1 1 1 QUA HC8 H -4.847 -2.323 1.090 1.00 . A A . 0 QUA HC8 1 1
20 3596 1 1 1 QUA N1 N -2.613 -1.734 0.010 1.00 . A A . 0 QUA N1 1 1
20 3597 1 1 1 QUA O12 O 0.937 -1.358 -0.484 1.00 . A A . 0 QUA O12 1 1
20 3598 1 1 1 QUA O15 O -1.154 -2.322 -4.777 1.00 . A A . 0 QUA O15 1 1
20 3599 1 1 1 QUA O16 O -5.680 -0.815 -0.024 1.00 . A A . 0 QUA O16 1 1
20 3600 1 1 2 ILE C C -4.391 -5.077 1.940 1.00 . A A . 1 ILE C 1 1
20 3601 1 1 2 ILE CA C -5.709 -4.993 1.176 1.00 . A A . 1 ILE CA 1 1
20 3602 1 1 2 ILE CB C -6.422 -6.366 1.227 1.00 . A A . 1 ILE CB 1 1
20 3603 1 1 2 ILE CD1 C -5.353 -7.217 -0.976 1.00 . A A . 1 ILE CD1 1 1
20 3604 1 1 2 ILE CG1 C -5.613 -7.467 0.504 1.00 . A A . 1 ILE CG1 1 1
20 3605 1 1 2 ILE CG2 C -7.823 -6.255 0.642 1.00 . A A . 1 ILE CG2 1 1
20 3606 1 1 2 ILE H H -4.523 -4.605 -0.426 1.00 . A A . 1 ILE H 1 1
20 3607 1 1 2 ILE HA H -6.344 -4.260 1.655 1.00 . A A . 1 ILE HA 1 1
20 3608 1 1 2 ILE HB H -6.526 -6.641 2.267 1.00 . A A . 1 ILE HB 1 1
20 3609 1 1 2 ILE HD11 H -5.058 -8.143 -1.449 1.00 . A A . 1 ILE HD11 1 1
20 3610 1 1 2 ILE HD12 H -4.559 -6.491 -1.091 1.00 . A A . 1 ILE HD12 1 1
20 3611 1 1 2 ILE HD13 H -6.250 -6.845 -1.446 1.00 . A A . 1 ILE HD13 1 1
20 3612 1 1 2 ILE HG12 H -4.655 -7.573 0.987 1.00 . A A . 1 ILE HG12 1 1
20 3613 1 1 2 ILE HG13 H -6.150 -8.401 0.588 1.00 . A A . 1 ILE HG13 1 1
20 3614 1 1 2 ILE HG21 H -7.771 -5.804 -0.338 1.00 . A A . 1 ILE HG21 1 1
20 3615 1 1 2 ILE HG22 H -8.434 -5.642 1.288 1.00 . A A . 1 ILE HG22 1 1
20 3616 1 1 2 ILE HG23 H -8.259 -7.240 0.564 1.00 . A A . 1 ILE HG23 1 1
20 3617 1 1 2 ILE N N -5.481 -4.555 -0.224 1.00 . A A . 1 ILE N 1 1
20 3618 1 1 2 ILE O O -4.329 -4.763 3.130 1.00 . A A . 1 ILE O 1 1
20 3619 1 1 3 ALA C C -0.944 -5.811 0.773 1.00 . A A . 2 ALA C 1 1
20 3620 1 1 3 ALA CA C -2.017 -5.635 1.844 1.00 . A A . 2 ALA CA 1 1
20 3621 1 1 3 ALA CB C -1.989 -6.810 2.814 1.00 . A A . 2 ALA CB 1 1
20 3622 1 1 3 ALA H H -3.457 -5.736 0.299 1.00 . A A . 2 ALA H 1 1
20 3623 1 1 3 ALA HA H -1.811 -4.732 2.402 1.00 . A A . 2 ALA HA 1 1
20 3624 1 1 3 ALA HB1 H -2.693 -6.634 3.613 1.00 . A A . 2 ALA HB1 1 1
20 3625 1 1 3 ALA HB2 H -0.995 -6.913 3.225 1.00 . A A . 2 ALA HB2 1 1
20 3626 1 1 3 ALA HB3 H -2.257 -7.715 2.289 1.00 . A A . 2 ALA HB3 1 1
20 3627 1 1 3 ALA N N -3.339 -5.503 1.244 1.00 . A A . 2 ALA N 1 1
20 3628 1 1 3 ALA O O -0.982 -6.771 0.004 1.00 . A A . 2 ALA O 1 1
20 3629 1 1 4 DHA C C 2.170 -3.911 0.286 1.00 . A A . 3 DHA C 1 1
20 3630 1 1 4 DHA CA C 1.164 -4.844 -0.162 1.00 . A A . 3 DHA CA 1 1
20 3631 1 1 4 DHA CB C 1.327 -5.569 -1.259 1.00 . A A . 3 DHA CB 1 1
20 3632 1 1 4 DHA H H -0.061 -4.150 1.392 1.00 . A A . 3 DHA H 1 1
20 3633 1 1 4 DHA HB1 H 0.565 -6.268 -1.566 1.00 . A A . 3 DHA HB1 1 1
20 3634 1 1 4 DHA HB2 H 2.230 -5.468 -1.843 1.00 . A A . 3 DHA HB2 1 1
20 3635 1 1 4 DHA N N 0.009 -4.879 0.739 1.00 . A A . 3 DHA N 1 1
20 3636 1 1 4 DHA O O 1.941 -3.305 1.329 1.00 . A A . 3 DHA O 1 1
20 3637 1 1 5 ALA C C 4.508 -1.728 -1.106 1.00 . A A . 4 ALA C 1 1
20 3638 1 1 5 ALA CA C 4.280 -2.768 -0.020 1.00 . A A . 4 ALA CA 1 1
20 3639 1 1 5 ALA CB C 5.563 -3.500 0.316 1.00 . A A . 4 ALA CB 1 1
20 3640 1 1 5 ALA H H 3.395 -4.238 -1.253 1.00 . A A . 4 ALA H 1 1
20 3641 1 1 5 ALA HA H 3.933 -2.269 0.873 1.00 . A A . 4 ALA HA 1 1
20 3642 1 1 5 ALA HB1 H 5.982 -3.925 -0.584 1.00 . A A . 4 ALA HB1 1 1
20 3643 1 1 5 ALA HB2 H 5.342 -4.292 1.019 1.00 . A A . 4 ALA HB2 1 1
20 3644 1 1 5 ALA HB3 H 6.268 -2.812 0.757 1.00 . A A . 4 ALA HB3 1 1
20 3645 1 1 5 ALA N N 3.265 -3.725 -0.429 1.00 . A A . 4 ALA N 1 1
20 3646 1 1 5 ALA O O 4.906 -2.064 -2.222 1.00 . A A . 4 ALA O 1 1
20 3647 1 1 6 SER C C 3.241 0.466 -2.797 1.00 . A A . 5 SER C 1 1
20 3648 1 1 6 SER CA C 4.290 0.637 -1.798 1.00 . A A . 5 SER CA 1 1
20 3649 1 1 6 SER CB C 5.708 0.748 -2.429 1.00 . A A . 5 SER CB 1 1
20 3650 1 1 6 SER H H 4.019 -0.251 0.158 1.00 . A A . 5 SER H 1 1
20 3651 1 1 6 SER HB2 H 5.908 -0.122 -3.034 1.00 . A A . 5 SER HB2 1 1
20 3652 1 1 6 SER HB3 H 5.761 1.634 -3.044 1.00 . A A . 5 SER HB3 1 1
20 3653 1 1 6 SER N N 4.244 -0.462 -0.772 1.00 . A A . 5 SER N 1 1
20 3654 1 1 7 . C C -0.142 0.776 -3.910 1.00 . A A . 6 BB9 C 1 1
20 3655 1 1 7 . CA C 1.276 0.503 -3.785 1.00 . A A . 6 BB9 CA 1 1
20 3656 1 1 7 . CB C 2.034 -0.096 -4.834 1.00 . A A . 6 BB9 CB 1 1
20 3657 1 1 7 . HB H 1.650 -0.403 -5.796 1.00 . A A . 6 BB9 HB 1 1
20 3658 1 1 7 . N N 1.992 0.794 -2.678 1.00 . A A . 6 BB9 N 1 1
20 3659 1 1 7 . O O -0.807 0.544 -4.919 1.00 . A A . 6 BB9 O 1 1
20 3660 1 1 7 . SG S 3.629 -0.245 -4.319 1.00 . A A . 6 BB9 SG 1 1
20 3661 1 1 8 THR C C -1.910 3.396 -2.664 1.00 . A A . 7 THR C 1 1
20 3662 1 1 8 THR CA C -2.003 1.883 -2.799 1.00 . A A . 7 THR CA 1 1
20 3663 1 1 8 THR CB C -2.896 1.318 -1.674 1.00 . A A . 7 THR CB 1 1
20 3664 1 1 8 THR CG2 C -2.273 1.534 -0.303 1.00 . A A . 7 THR CG2 1 1
20 3665 1 1 8 THR H H -0.156 1.268 -1.966 1.00 . A A . 7 THR H 1 1
20 3666 1 1 8 THR HA H -2.469 1.651 -3.747 1.00 . A A . 7 THR HA 1 1
20 3667 1 1 8 THR HB H -3.013 0.258 -1.834 1.00 . A A . 7 THR HB 1 1
20 3668 1 1 8 THR HG1 H -4.839 1.345 -1.331 1.00 . A A . 7 THR HG1 1 1
20 3669 1 1 8 THR HG21 H -2.221 2.592 -0.091 1.00 . A A . 7 THR HG21 1 1
20 3670 1 1 8 THR HG22 H -1.280 1.116 -0.290 1.00 . A A . 7 THR HG22 1 1
20 3671 1 1 8 THR HG23 H -2.879 1.048 0.448 1.00 . A A . 7 THR HG23 1 1
20 3672 1 1 8 THR N N -0.670 1.292 -2.801 1.00 . A A . 7 THR N 1 1
20 3673 1 1 8 THR O O -0.841 3.938 -2.388 1.00 . A A . 7 THR O 1 1
20 3674 1 1 8 THR OG1 O -4.187 1.937 -1.714 1.00 . A A . 7 THR OG1 1 1
20 3675 1 1 9 DBU C C -3.454 6.202 -1.656 1.00 . A A . 8 DBU C 1 1
20 3676 1 1 9 DBU CA C -3.130 5.524 -2.930 1.00 . A A . 8 DBU CA 1 1
20 3677 1 1 9 DBU CB C -2.942 6.212 -4.042 1.00 . A A . 8 DBU CB 1 1
20 3678 1 1 9 DBU CG C -2.597 5.528 -5.373 1.00 . A A . 8 DBU CG 1 1
20 3679 1 1 9 DBU HG1 H -2.209 6.258 -6.066 1.00 . A A . 8 DBU HG1 1 1
20 3680 1 1 9 DBU HG2 H -3.486 5.075 -5.786 1.00 . A A . 8 DBU HG2 1 1
20 3681 1 1 9 DBU HG3 H -1.850 4.761 -5.197 1.00 . A A . 8 DBU HG3 1 1
20 3682 1 1 9 DBU N N -3.031 4.070 -2.858 1.00 . A A . 8 DBU N 1 1
20 3683 1 1 10 CYS C C -4.567 5.754 1.684 1.00 . A A . 9 CYS C 1 1
20 3684 1 1 10 CYS CA C -3.793 6.467 0.596 1.00 . A A . 9 CYS CA 1 1
20 3685 1 1 10 CYS CB C -4.611 7.620 0.020 1.00 . A A . 9 CYS CB 1 1
20 3686 1 1 10 CYS HA H -2.883 6.872 1.020 1.00 . A A . 9 CYS HA 1 1
20 3687 1 1 10 CYS HB2 H -5.660 7.344 -0.040 1.00 . A A . 9 CYS HB2 1 1
20 3688 1 1 10 CYS HB3 H -4.481 8.511 0.606 1.00 . A A . 9 CYS HB3 1 1
20 3689 1 1 10 CYS N N -3.431 5.582 -0.512 1.00 . A A . 9 CYS N 1 1
20 3690 1 1 10 CYS O O -5.297 6.420 2.421 1.00 . A A . 9 CYS O 1 1
20 3691 1 1 10 CYS SG S -3.907 7.873 -1.616 1.00 . A A . 9 CYS SG 1 1
20 3692 1 1 11 . C C -3.998 3.034 3.743 1.00 . A A . 10 TS9 C 1 1
20 3693 1 1 11 . CA C -5.064 3.663 2.843 1.00 . A A . 10 TS9 CA 1 1
20 3694 1 1 11 . CB C -6.008 2.568 2.233 1.00 . A A . 10 TS9 CB 1 1
20 3695 1 1 11 . CD1 C -7.851 2.351 0.395 1.00 . A A . 10 TS9 CD1 1 1
20 3696 1 1 11 . CG1 C -6.950 3.277 1.199 1.00 . A A . 10 TS9 CG1 1 1
20 3697 1 1 11 . CG2 C -6.810 1.901 3.305 1.00 . A A . 10 TS9 CG2 1 1
20 3698 1 1 11 . H H -3.849 3.969 1.138 1.00 . A A . 10 TS9 H 1 1
20 3699 1 1 11 . HA H -5.658 4.347 3.431 1.00 . A A . 10 TS9 HA 1 1
20 3700 1 1 11 . HD11 H -7.252 1.580 -0.069 1.00 . A A . 10 TS9 HD11 1 1
20 3701 1 1 11 . HD12 H -8.359 2.919 -0.369 1.00 . A A . 10 TS9 HD12 1 1
20 3702 1 1 11 . HD13 H -8.579 1.896 1.050 1.00 . A A . 10 TS9 HD13 1 1
20 3703 1 1 11 . HD2 H -8.463 4.530 1.396 1.00 . A A . 10 TS9 HD2 1 1
20 3704 1 1 11 . HG1 H -6.351 3.846 0.505 1.00 . A A . 10 TS9 HG1 1 1
20 3705 1 1 11 . HG21 H -7.476 1.177 2.861 1.00 . A A . 10 TS9 HG21 1 1
20 3706 1 1 11 . HG22 H -7.388 2.642 3.837 1.00 . A A . 10 TS9 HG22 1 1
20 3707 1 1 11 . HG23 H -6.147 1.399 3.995 1.00 . A A . 10 TS9 HG23 1 1
20 3708 1 1 11 . HG3 H -5.637 0.741 1.637 1.00 . A A . 10 TS9 HG3 1 1
20 3709 1 1 11 . N N -4.415 4.435 1.789 1.00 . A A . 10 TS9 N 1 1
20 3710 1 1 11 . OD2 O -7.762 4.186 1.955 1.00 . A A . 10 TS9 OD2 1 1
20 3711 1 1 11 . OG3 O -5.223 1.603 1.556 1.00 . A A . 10 TS9 OG3 1 1
20 3712 1 1 12 . C C -0.845 1.410 4.187 1.00 . A A . 11 BB9 C 1 1
20 3713 1 1 12 . CA C -2.140 2.040 4.356 1.00 . A A . 11 BB9 CA 1 1
20 3714 1 1 12 . CB C -2.741 2.209 5.643 1.00 . A A . 11 BB9 CB 1 1
20 3715 1 1 12 . HB H -2.312 1.898 6.584 1.00 . A A . 11 BB9 HB 1 1
20 3716 1 1 12 . N N -2.883 2.517 3.330 1.00 . A A . 11 BB9 N 1 1
20 3717 1 1 12 . O O -0.151 0.993 5.115 1.00 . A A . 11 BB9 O 1 1
20 3718 1 1 12 . SG S -4.229 2.975 5.446 1.00 . A A . 11 BB9 SG 1 1
20 3719 1 1 13 THR C C 1.423 1.516 1.357 1.00 . A A . 12 THR C 1 1
20 3720 1 1 13 THR CA C 0.829 0.750 2.537 1.00 . A A . 12 THR CA 1 1
20 3721 1 1 13 THR CB C 0.734 -0.756 2.217 1.00 . A A . 12 THR CB 1 1
20 3722 1 1 13 THR CG2 C 0.492 -1.575 3.474 1.00 . A A . 12 THR CG2 1 1
20 3723 1 1 13 THR H H -1.082 1.614 2.208 1.00 . A A . 12 THR H 1 1
20 3724 1 1 13 THR HA H 1.485 0.862 3.388 1.00 . A A . 12 THR HA 1 1
20 3725 1 1 13 THR HB H 1.656 -1.085 1.759 1.00 . A A . 12 THR HB 1 1
20 3726 1 1 13 THR HG21 H 1.245 -1.337 4.209 1.00 . A A . 12 THR HG21 1 1
20 3727 1 1 13 THR HG22 H 0.543 -2.626 3.231 1.00 . A A . 12 THR HG22 1 1
20 3728 1 1 13 THR HG23 H -0.485 -1.345 3.870 1.00 . A A . 12 THR HG23 1 1
20 3729 1 1 13 THR N N -0.471 1.310 2.911 1.00 . A A . 12 THR N 1 1
20 3730 1 1 13 THR OG1 O -0.417 -1.025 1.319 1.00 . A A . 12 THR OG1 1 1
20 3731 1 1 14 . C C 4.119 1.969 -0.983 1.00 . A A . 13 BB9 C 1 1
20 3732 1 1 14 . CA C 2.829 2.105 -0.218 1.00 . A A . 13 BB9 CA 1 1
20 3733 1 1 14 . CB C 1.800 3.070 -0.460 1.00 . A A . 13 BB9 CB 1 1
20 3734 1 1 14 . HB H 1.815 3.827 -1.228 1.00 . A A . 13 BB9 HB 1 1
20 3735 1 1 14 . N N 2.568 1.263 0.806 1.00 . A A . 13 BB9 N 1 1
20 3736 1 1 14 . SG S 0.562 2.828 0.654 1.00 . A A . 13 BB9 SG 1 1
20 3737 1 1 15 . C C 7.314 1.807 0.918 1.00 . A A . 14 MH6 C 1 1
20 3738 1 1 15 . CA C 6.325 1.605 -0.164 1.00 . A A . 14 MH6 CA 1 1
20 3739 1 1 15 . CB C 6.776 0.839 -1.339 1.00 . A A . 14 MH6 CB 1 1
20 3740 1 1 15 . HB2 H 7.033 -0.161 -1.028 1.00 . A A . 14 MH6 HB2 1 1
20 3741 1 1 15 . HB3 H 7.652 1.311 -1.762 1.00 . A A . 14 MH6 HB3 1 1
20 3742 1 1 15 . N N 5.163 2.121 0.041 1.00 . A A . 14 MH6 N 1 1
20 3743 1 1 16 . C C 10.611 1.328 2.176 1.00 . A A . 15 BB9 C 1 1
20 3744 1 1 16 . CA C 9.224 1.692 1.977 1.00 . A A . 15 BB9 CA 1 1
20 3745 1 1 16 . CB C 8.471 2.424 2.950 1.00 . A A . 15 BB9 CB 1 1
20 3746 1 1 16 . HB H 8.841 2.770 3.904 1.00 . A A . 15 BB9 HB 1 1
20 3747 1 1 16 . N N 8.529 1.374 0.862 1.00 . A A . 15 BB9 N 1 1
20 3748 1 1 16 . O O 11.262 1.600 3.185 1.00 . A A . 15 BB9 O 1 1
20 3749 1 1 16 . SG S 6.909 2.653 2.358 1.00 . A A . 15 BB9 SG 1 1
20 3750 1 1 17 DHA C C 12.703 -0.605 -0.220 1.00 . A A . 16 DHA C 1 1
20 3751 1 1 17 DHA CA C 12.498 0.170 0.993 1.00 . A A . 16 DHA CA 1 1
20 3752 1 1 17 DHA CB C 13.490 0.386 1.844 1.00 . A A . 16 DHA CB 1 1
20 3753 1 1 17 DHA H H 10.494 0.466 0.402 1.00 . A A . 16 DHA H 1 1
20 3754 1 1 17 DHA HB1 H 14.471 -0.018 1.642 1.00 . A A . 16 DHA HB1 1 1
20 3755 1 1 17 DHA HB2 H 13.322 0.963 2.739 1.00 . A A . 16 DHA HB2 1 1
20 3756 1 1 17 DHA N N 11.113 0.657 1.138 1.00 . A A . 16 DHA N 1 1
20 3757 1 1 17 DHA O O 11.735 -0.762 -0.964 1.00 . A A . 16 DHA O 1 1
20 3758 1 1 18 NH2 HN1 H 14.036 -1.631 -1.303 1.00 . A A . 17 NH2 HN1 1 1
20 3759 1 1 18 NH2 HN2 H 14.641 -0.953 0.143 1.00 . A A . 17 NH2 HN2 1 1
20 3760 1 1 18 NH2 N N 13.904 -1.109 -0.484 1.00 . A A . 17 NH2 N 1 1
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