NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
470360 |
1ale   |
cing | 4-filtered-FRED | STAR | entry | full | 167 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ale
# This FRED archive file contains, for PDB entry <1ale>:
#
# - 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.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_1ale
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ale
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2076.29
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 $APOLIPOPROTEIN_C_I_PRECURSOR A . 1 1
stop_
save_
save_APOLIPOPROTEIN_C_I_PRECURSOR
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "APOLIPOPROTEIN C I PRECURSOR"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ALDKLKEFGNTLEDKARE
_Entity.Number_of_monomers 18
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 ALA . 1 1
2 LEU . 1 1
3 ASP . 1 1
4 LYS . 1 1
5 LEU . 1 1
6 LYS . 1 1
7 GLU . 1 1
8 PHE . 1 1
9 GLY . 1 1
10 ASN . 1 1
11 THR . 1 1
12 LEU . 1 1
13 GLU . 1 1
14 ASP . 1 1
15 LYS . 1 1
16 ALA . 1 1
17 ARG . 1 1
18 GLU . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ALA 1 1 1 1
LEU 2 2 1 1
ASP 3 3 1 1
LYS 4 4 1 1
LEU 5 5 1 1
LYS 6 6 1 1
GLU 7 7 1 1
PHE 8 8 1 1
GLY 9 9 1 1
ASN 10 10 1 1
THR 11 11 1 1
LEU 12 12 1 1
GLU 13 13 1 1
ASP 14 14 1 1
LYS 15 15 1 1
ALA 16 16 1 1
ARG 17 17 1 1
GLU 18 18 1 1
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 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 ALA HA 1 1 ALAN HA 1 1
1 1 2 1 1 2 LEU H 1 2 LEU HN 1 1
2 1 1 1 1 1 ALA MB 1 1 ALAN HB* 1 1
2 1 2 1 1 2 LEU H 1 2 LEU HN 1 1
3 1 1 1 1 1 ALA MB 1 1 ALAN HB* 1 1
3 1 2 1 1 2 LEU QD 1 2 LEU HD* 1 1
4 1 1 1 1 1 ALA MB 1 1 ALAN HB* 1 1
4 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
5 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
5 1 2 1 1 2 LEU HA 1 2 LEU HA 1 1
6 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
6 1 2 1 1 2 LEU HB2 1 2 LEU HBR 1 1
7 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
7 1 2 1 1 2 LEU HB3 1 2 LEU HBS 1 1
8 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
8 1 2 1 1 2 LEU HG 1 2 LEU HG 1 1
9 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
9 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
10 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
10 1 2 1 1 2 LEU HB2 1 2 LEU HBR 1 1
11 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
11 1 2 1 1 2 LEU HG 1 2 LEU HG 1 1
12 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
12 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
13 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
13 1 2 1 1 4 LYS H 1 4 LYS+ HN 1 1
14 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
14 1 2 1 1 5 LEU QD 1 5 LEU HDS* 1 1
15 1 1 1 1 2 LEU HB2 1 2 LEU HBR 1 1
15 1 2 1 1 2 LEU QD 1 2 LEU HD* 1 1
16 1 1 1 1 2 LEU HB3 1 2 LEU HBS 1 1
16 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
17 1 1 1 1 2 LEU QD 1 2 LEU HD* 1 1
17 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
18 1 1 1 1 2 LEU QD 1 2 LEU HD* 1 1
18 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
19 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
19 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
20 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
20 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
21 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
21 1 2 1 1 4 LYS H 1 4 LYS+ HN 1 1
22 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
22 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
23 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
23 1 2 1 1 6 LYS HB2 1 6 LYS+ HBR 1 1
24 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
24 1 2 1 1 6 LYS QD 1 6 LYS+ HD* 1 1
25 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
25 1 2 1 1 4 LYS H 1 4 LYS+ HN 1 1
26 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
26 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
27 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
27 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
28 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
28 1 2 1 1 6 LYS QE 1 6 LYS+ HE* 1 1
29 1 1 1 1 3 ASP QB 1 3 ASP- HB* 1 1
29 1 2 1 1 4 LYS H 1 4 LYS+ HN 1 1
30 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
30 1 2 1 1 4 LYS HA 1 4 LYS+ HA 1 1
31 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
31 1 2 1 1 4 LYS HB2 1 4 LYS+ HBR 1 1
32 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
32 1 2 1 1 4 LYS HB3 1 4 LYS+ HBS 1 1
33 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
33 1 2 1 1 4 LYS HG2 1 4 LYS+ HGR 1 1
34 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
34 1 2 1 1 4 LYS HG3 1 4 LYS+ HGS 1 1
35 1 1 1 1 4 LYS H 1 4 LYS+ HN 1 1
35 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
36 1 1 1 1 4 LYS HB2 1 4 LYS+ HBR 1 1
36 1 2 1 1 4 LYS HG2 1 4 LYS+ HGR 1 1
37 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
37 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1
38 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
38 1 2 1 1 5 LEU QD 1 5 LEU HDR* 1 1
39 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
39 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
40 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
40 1 2 1 1 7 GLU H 1 7 GLU- HN 1 1
41 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
41 1 2 1 1 5 LEU QD 1 5 LEU HDS* 1 1
42 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
42 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
43 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
43 1 2 1 1 8 PHE HB2 1 8 PHE HBR 1 1
44 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
44 1 2 1 1 8 PHE HB3 1 8 PHE HBS 1 1
45 1 1 1 1 5 LEU QD 1 5 LEU HDR* 1 1
45 1 2 1 1 6 LYS H 1 6 LYS+ HN 1 1
46 1 1 1 1 6 LYS H 1 6 LYS+ HN 1 1
46 1 2 1 1 6 LYS HA 1 6 LYS+ HA 1 1
47 1 1 1 1 6 LYS H 1 6 LYS+ HN 1 1
47 1 2 1 1 6 LYS HB2 1 6 LYS+ HBR 1 1
48 1 1 1 1 6 LYS H 1 6 LYS+ HN 1 1
48 1 2 1 1 6 LYS QD 1 6 LYS+ HD* 1 1
49 1 1 1 1 6 LYS H 1 6 LYS+ HN 1 1
49 1 2 1 1 6 LYS HG2 1 6 LYS+ HGR 1 1
50 1 1 1 1 6 LYS H 1 6 LYS+ HN 1 1
50 1 2 1 1 7 GLU H 1 7 GLU- HN 1 1
51 1 1 1 1 6 LYS HA 1 6 LYS+ HA 1 1
51 1 2 1 1 6 LYS HG2 1 6 LYS+ HGR 1 1
52 1 1 1 1 6 LYS HA 1 6 LYS+ HA 1 1
52 1 2 1 1 8 PHE H 1 8 PHE HN 1 1
53 1 1 1 1 6 LYS HA 1 6 LYS+ HA 1 1
53 1 2 1 1 9 GLY H 1 9 GLY HN 1 1
54 1 1 1 1 6 LYS HB2 1 6 LYS+ HBR 1 1
54 1 2 1 1 6 LYS QE 1 6 LYS+ HE* 1 1
55 1 1 1 1 6 LYS HB3 1 6 LYS+ HBS 1 1
55 1 2 1 1 7 GLU H 1 7 GLU- HN 1 1
56 1 1 1 1 6 LYS QE 1 6 LYS+ HE* 1 1
56 1 2 1 1 6 LYS HG2 1 6 LYS+ HGR 1 1
57 1 1 1 1 6 LYS QE 1 6 LYS+ HE* 1 1
57 1 2 1 1 6 LYS HG3 1 6 LYS+ HGS 1 1
58 1 1 1 1 7 GLU H 1 7 GLU- HN 1 1
58 1 2 1 1 7 GLU QB 1 7 GLU- HB* 1 1
59 1 1 1 1 7 GLU H 1 7 GLU- HN 1 1
59 1 2 1 1 7 GLU HG2 1 7 GLU- HGS 1 1
60 1 1 1 1 7 GLU H 1 7 GLU- HN 1 1
60 1 2 1 1 7 GLU HG3 1 7 GLU- HGR 1 1
61 1 1 1 1 7 GLU H 1 7 GLU- HN 1 1
61 1 2 1 1 8 PHE H 1 8 PHE HN 1 1
62 1 1 1 1 7 GLU HA 1 7 GLU- HA 1 1
62 1 2 1 1 10 ASN HB2 1 10 ASN HBS 1 1
63 1 1 1 1 7 GLU HA 1 7 GLU- HA 1 1
63 1 2 1 1 10 ASN HB3 1 10 ASN HBR 1 1
64 1 1 1 1 7 GLU HA 1 7 GLU- HA 1 1
64 1 2 1 1 11 THR H 1 11 THR HN 1 1
65 1 1 1 1 7 GLU QB 1 7 GLU- HB* 1 1
65 1 2 1 1 7 GLU HG3 1 7 GLU- HGR 1 1
66 1 1 1 1 7 GLU QB 1 7 GLU- HB* 1 1
66 1 2 1 1 8 PHE H 1 8 PHE HN 1 1
67 1 1 1 1 7 GLU QB 1 7 GLU- HB* 1 1
67 1 2 1 1 9 GLY H 1 9 GLY HN 1 1
68 1 1 1 1 8 PHE H 1 8 PHE HN 1 1
68 1 2 1 1 8 PHE HA 1 8 PHE HA 1 1
69 1 1 1 1 8 PHE H 1 8 PHE HN 1 1
69 1 2 1 1 8 PHE HB2 1 8 PHE HBR 1 1
70 1 1 1 1 8 PHE H 1 8 PHE HN 1 1
70 1 2 1 1 8 PHE HB3 1 8 PHE HBS 1 1
71 1 1 1 1 8 PHE H 1 8 PHE HN 1 1
71 1 2 1 1 8 PHE QD 1 8 PHE HD* 1 1
72 1 1 1 1 8 PHE HA 1 8 PHE HA 1 1
72 1 2 1 1 8 PHE HB2 1 8 PHE HBR 1 1
73 1 1 1 1 8 PHE HA 1 8 PHE HA 1 1
73 1 2 1 1 8 PHE HB3 1 8 PHE HBS 1 1
74 1 1 1 1 8 PHE HA 1 8 PHE HA 1 1
74 1 2 1 1 8 PHE QD 1 8 PHE HD* 1 1
75 1 1 1 1 8 PHE HA 1 8 PHE HA 1 1
75 1 2 1 1 11 THR H 1 11 THR HN 1 1
76 1 1 1 1 8 PHE HA 1 8 PHE HA 1 1
76 1 2 1 1 11 THR HG1 1 11 THR HG* 1 1
76 1 2 1 1 11 THR MG 1 11 THR HG* 1 1
77 1 1 1 1 8 PHE HB2 1 8 PHE HBR 1 1
77 1 2 1 1 8 PHE QD 1 8 PHE HD* 1 1
78 1 1 1 1 8 PHE HB2 1 8 PHE HBR 1 1
78 1 2 1 1 9 GLY H 1 9 GLY HN 1 1
79 1 1 1 1 8 PHE HB3 1 8 PHE HBS 1 1
79 1 2 1 1 8 PHE QD 1 8 PHE HD* 1 1
80 1 1 1 1 8 PHE QD 1 8 PHE HD* 1 1
80 1 2 1 1 9 GLY H 1 9 GLY HN 1 1
81 1 1 1 1 8 PHE QD 1 8 PHE HD* 1 1
81 1 2 1 1 11 THR H 1 11 THR HN 1 1
82 1 1 1 1 9 GLY H 1 9 GLY HN 1 1
82 1 2 1 1 9 GLY HA2 1 9 GLY HAR 1 1
83 1 1 1 1 9 GLY H 1 9 GLY HN 1 1
83 1 2 1 1 9 GLY HA3 1 9 GLY HAS 1 1
84 1 1 1 1 9 GLY H 1 9 GLY HN 1 1
84 1 2 1 1 11 THR H 1 11 THR HN 1 1
85 1 1 1 1 9 GLY HA2 1 9 GLY HAR 1 1
85 1 2 1 1 10 ASN H 1 10 ASN HN 1 1
86 1 1 1 1 9 GLY HA2 1 9 GLY HAR 1 1
86 1 2 1 1 11 THR H 1 11 THR HN 1 1
87 1 1 1 1 9 GLY HA2 1 9 GLY HAR 1 1
87 1 2 1 1 12 LEU QD 1 12 LEU HD* 1 1
88 1 1 1 1 9 GLY HA2 1 9 GLY HAR 1 1
88 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
89 1 1 1 1 9 GLY HA3 1 9 GLY HAS 1 1
89 1 2 1 1 10 ASN H 1 10 ASN HN 1 1
90 1 1 1 1 9 GLY HA3 1 9 GLY HAS 1 1
90 1 2 1 1 11 THR H 1 11 THR HN 1 1
91 1 1 1 1 9 GLY HA3 1 9 GLY HAS 1 1
91 1 2 1 1 12 LEU HB2 1 12 LEU HBR 1 1
92 1 1 1 1 9 GLY HA3 1 9 GLY HAS 1 1
92 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
93 1 1 1 1 10 ASN H 1 10 ASN HN 1 1
93 1 2 1 1 10 ASN HA 1 10 ASN HA 1 1
94 1 1 1 1 10 ASN H 1 10 ASN HN 1 1
94 1 2 1 1 10 ASN HB2 1 10 ASN HBS 1 1
95 1 1 1 1 10 ASN H 1 10 ASN HN 1 1
95 1 2 1 1 10 ASN HB3 1 10 ASN HBR 1 1
96 1 1 1 1 10 ASN H 1 10 ASN HN 1 1
96 1 2 1 1 11 THR H 1 11 THR HN 1 1
97 1 1 1 1 10 ASN HA 1 10 ASN HA 1 1
97 1 2 1 1 10 ASN HB3 1 10 ASN HBR 1 1
98 1 1 1 1 10 ASN HA 1 10 ASN HA 1 1
98 1 2 1 1 11 THR H 1 11 THR HN 1 1
99 1 1 1 1 10 ASN HA 1 10 ASN HA 1 1
99 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
100 1 1 1 1 10 ASN HA 1 10 ASN HA 1 1
100 1 2 1 1 13 GLU QB 1 13 GLU- HB* 1 1
101 1 1 1 1 10 ASN HA 1 10 ASN HA 1 1
101 1 2 1 1 14 ASP H 1 14 ASP- HN 1 1
102 1 1 1 1 10 ASN HB2 1 10 ASN HBS 1 1
102 1 2 1 1 11 THR H 1 11 THR HN 1 1
103 1 1 1 1 10 ASN HB3 1 10 ASN HBR 1 1
103 1 2 1 1 11 THR H 1 11 THR HN 1 1
104 1 1 1 1 11 THR H 1 11 THR HN 1 1
104 1 2 1 1 11 THR HA 1 11 THR HA 1 1
105 1 1 1 1 11 THR H 1 11 THR HN 1 1
105 1 2 1 1 11 THR HB 1 11 THR HB 1 1
106 1 1 1 1 11 THR H 1 11 THR HN 1 1
106 1 2 1 1 11 THR HG1 1 11 THR HG* 1 1
106 1 2 1 1 11 THR MG 1 11 THR HG* 1 1
107 1 1 1 1 11 THR H 1 11 THR HN 1 1
107 1 2 1 1 12 LEU H 1 12 LEU HN 1 1
108 1 1 1 1 11 THR H 1 11 THR HN 1 1
108 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
109 1 1 1 1 11 THR HA 1 11 THR HA 1 1
109 1 2 1 1 11 THR HB 1 11 THR HB 1 1
110 1 1 1 1 11 THR HA 1 11 THR HA 1 1
110 1 2 1 1 11 THR HG1 1 11 THR HG* 1 1
110 1 2 1 1 11 THR MG 1 11 THR HG* 1 1
111 1 1 1 1 11 THR HA 1 11 THR HA 1 1
111 1 2 1 1 12 LEU H 1 12 LEU HN 1 1
112 1 1 1 1 11 THR HA 1 11 THR HA 1 1
112 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
113 1 1 1 1 11 THR HA 1 11 THR HA 1 1
113 1 2 1 1 14 ASP HB2 1 14 ASP- HBS 1 1
114 1 1 1 1 11 THR HA 1 11 THR HA 1 1
114 1 2 1 1 14 ASP HB3 1 14 ASP- HBR 1 1
115 1 1 1 1 11 THR HA 1 11 THR HA 1 1
115 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
116 1 1 1 1 11 THR HB 1 11 THR HB 1 1
116 1 2 1 1 12 LEU H 1 12 LEU HN 1 1
117 1 1 1 1 11 THR HB 1 11 THR HB 1 1
117 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
118 1 1 1 1 11 THR HG1 1 11 THR HG* 1 1
118 1 1 1 1 11 THR MG 1 11 THR HG* 1 1
118 1 2 1 1 12 LEU H 1 12 LEU HN 1 1
119 1 1 1 1 11 THR HG1 1 11 THR HG* 1 1
119 1 1 1 1 11 THR MG 1 11 THR HG* 1 1
119 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
120 1 1 1 1 11 THR HG1 1 11 THR HG* 1 1
120 1 1 1 1 11 THR MG 1 11 THR HG* 1 1
120 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
121 1 1 1 1 12 LEU H 1 12 LEU HN 1 1
121 1 2 1 1 12 LEU HB2 1 12 LEU HBR 1 1
122 1 1 1 1 12 LEU H 1 12 LEU HN 1 1
122 1 2 1 1 12 LEU HB3 1 12 LEU HBS 1 1
123 1 1 1 1 12 LEU HA 1 12 LEU HA 1 1
123 1 2 1 1 12 LEU HB2 1 12 LEU HBR 1 1
124 1 1 1 1 12 LEU HA 1 12 LEU HA 1 1
124 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
125 1 1 1 1 12 LEU HB2 1 12 LEU HBR 1 1
125 1 2 1 1 12 LEU HG 1 12 LEU HG 1 1
126 1 1 1 1 12 LEU HB2 1 12 LEU HBR 1 1
126 1 2 1 1 13 GLU H 1 13 GLU- HN 1 1
127 1 1 1 1 12 LEU QD 1 12 LEU HD* 1 1
127 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
128 1 1 1 1 13 GLU H 1 13 GLU- HN 1 1
128 1 2 1 1 13 GLU QB 1 13 GLU- HB* 1 1
129 1 1 1 1 13 GLU H 1 13 GLU- HN 1 1
129 1 2 1 1 13 GLU HG2 1 13 GLU- HGS 1 1
130 1 1 1 1 13 GLU H 1 13 GLU- HN 1 1
130 1 2 1 1 13 GLU HG3 1 13 GLU- HGR 1 1
131 1 1 1 1 13 GLU HA 1 13 GLU- HA 1 1
131 1 2 1 1 13 GLU QB 1 13 GLU- HB* 1 1
132 1 1 1 1 13 GLU HA 1 13 GLU- HA 1 1
132 1 2 1 1 13 GLU HG2 1 13 GLU- HGS 1 1
133 1 1 1 1 13 GLU HA 1 13 GLU- HA 1 1
133 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1
134 1 1 1 1 13 GLU QB 1 13 GLU- HB* 1 1
134 1 2 1 1 13 GLU HG3 1 13 GLU- HGR 1 1
135 1 1 1 1 13 GLU QB 1 13 GLU- HB* 1 1
135 1 2 1 1 14 ASP H 1 14 ASP- HN 1 1
136 1 1 1 1 14 ASP H 1 14 ASP- HN 1 1
136 1 2 1 1 14 ASP HA 1 14 ASP- HA 1 1
137 1 1 1 1 14 ASP H 1 14 ASP- HN 1 1
137 1 2 1 1 14 ASP HB3 1 14 ASP- HBR 1 1
138 1 1 1 1 14 ASP HA 1 14 ASP- HA 1 1
138 1 2 1 1 14 ASP HB3 1 14 ASP- HBR 1 1
139 1 1 1 1 14 ASP HA 1 14 ASP- HA 1 1
139 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
140 1 1 1 1 14 ASP HA 1 14 ASP- HA 1 1
140 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1
141 1 1 1 1 14 ASP HB2 1 14 ASP- HBS 1 1
141 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
142 1 1 1 1 14 ASP HB3 1 14 ASP- HBR 1 1
142 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
143 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
143 1 2 1 1 15 LYS HA 1 15 LYS+ HA 1 1
144 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
144 1 2 1 1 15 LYS QB 1 15 LYS+ HB* 1 1
145 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
145 1 2 1 1 15 LYS QG 1 15 LYS+ HG* 1 1
146 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
146 1 2 1 1 15 LYS QB 1 15 LYS+ HB* 1 1
147 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
147 1 2 1 1 15 LYS QG 1 15 LYS+ HG* 1 1
148 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
148 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1
149 1 1 1 1 16 ALA H 1 16 ALA HN 1 1
149 1 2 1 1 16 ALA HA 1 16 ALA HA 1 1
150 1 1 1 1 16 ALA H 1 16 ALA HN 1 1
150 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1
151 1 1 1 1 16 ALA H 1 16 ALA HN 1 1
151 1 2 1 1 18 GLU H 1 18 GL-C HN 1 1
152 1 1 1 1 16 ALA HA 1 16 ALA HA 1 1
152 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1
153 1 1 1 1 16 ALA MB 1 16 ALA HB* 1 1
153 1 2 1 1 18 GLU H 1 18 GL-C HN 1 1
154 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1
154 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1
155 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1
155 1 2 1 1 17 ARG HB2 1 17 ARG+ HBR 1 1
156 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1
156 1 2 1 1 17 ARG HB3 1 17 ARG+ HBS 1 1
157 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1
157 1 2 1 1 18 GLU H 1 18 GL-C HN 1 1
158 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1
158 1 2 1 1 17 ARG HB2 1 17 ARG+ HBR 1 1
159 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1
159 1 2 1 1 17 ARG HB3 1 17 ARG+ HBS 1 1
160 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1
160 1 2 1 1 18 GLU H 1 18 GL-C HN 1 1
161 1 1 1 1 17 ARG HB2 1 17 ARG+ HBR 1 1
161 1 2 1 1 17 ARG QD 1 17 ARG+ HD* 1 1
162 1 1 1 1 17 ARG HB2 1 17 ARG+ HBR 1 1
162 1 2 1 1 17 ARG HE 1 17 ARG+ HE 1 1
163 1 1 1 1 17 ARG QD 1 17 ARG+ HD* 1 1
163 1 2 1 1 17 ARG QG 1 17 ARG+ HG* 1 1
164 1 1 1 1 18 GLU H 1 18 GL-C HN 1 1
164 1 2 1 1 18 GLU HA 1 18 GL-C HA 1 1
165 1 1 1 1 18 GLU H 1 18 GL-C HN 1 1
165 1 2 1 1 18 GLU HB2 1 18 GL-C HBR 1 1
166 1 1 1 1 18 GLU H 1 18 GL-C HN 1 1
166 1 2 1 1 18 GLU HB3 1 18 GL-C HBS 1 1
167 1 1 1 1 18 GLU H 1 18 GL-C HN 1 1
167 1 2 1 1 18 GLU HG2 1 18 GL-C HG1 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.5 2.0 2.5 1 1
2 1 . . . . . 2.5 2.5 4.0 1 1
3 1 . . . . . 3.5 3.5 7.4 1 1
4 1 . . . . . 5.0 3.5 5.06 1 1
5 1 . . . . . 2.5 2.0 2.5 1 1
6 1 . . . . . 5.253 3.5 5.0 1 1
7 1 . . . . . 3.5 3.5 4.12 1 1
8 1 . . . . . 2.5 2.0 2.64 1 1
9 1 . . . . . 2.5 2.0 2.67 1 1
10 1 . . . . . 4.253 2.5 3.5 1 1
11 1 . . . . . 2.5 2.0 2.75 1 1
12 1 . . . . . 2.5 2.0 2.64 1 1
13 1 . . . . . 3.5 2.5 3.5 1 1
14 1 . . . . . 3.5 3.5 5.0 1 1
15 1 . . . . . 2.5 1.8 4.9 1 1
16 1 . . . . . 5.0 4.0 5.05 1 1
17 1 . . . . . 6.0 3.5 6.11 1 1
18 1 . . . . . 5.0 3.5 7.4 1 1
19 1 . . . . . 2.5 2.0 3.04 1 1
20 1 . . . . . 2.5 2.5 3.5 1 1
21 1 . . . . . 2.5 1.8 2.5 1 1
22 1 . . . . . 3.5 3.5 5.0 1 1
23 1 . . . . . 5.258 4.5 5.3 1 1
24 1 . . . . . 3.5 3.5 4.57 1 1
25 1 . . . . . 3.5 2.5 3.5 1 1
26 1 . . . . . 5.0 3.5 5.0 1 1
27 1 . . . . . 3.5 2.5 3.5 1 1
28 1 . . . . . 6.0 3.5 6.0 1 1
29 1 . . . . . 2.5 2.5 3.57 1 1
30 1 . . . . . 2.5 2.5 3.5 1 1
31 1 . . . . . 2.5 2.0 2.5 1 1
32 1 . . . . . 2.5 2.5 3.49 1 1
33 1 . . . . . 3.5 3.0 3.77 1 1
34 1 . . . . . 3.5 3.0 3.85 1 1
35 1 . . . . . 3.5 3.5 5.0 1 1
36 1 . . . . . 3.5 2.5 3.5 1 1
37 1 . . . . . 2.5 2.0 3.02 1 1
38 1 . . . . . 3.5 3.5 5.0 1 1
39 1 . . . . . 2.5 2.0 2.5 1 1
40 1 . . . . . 3.5 3.5 5.0 1 1
41 1 . . . . . . 3.0 4.0 1 1
42 1 . . . . . 3.5 2.5 3.5 1 1
43 1 . . . . . 3.5 2.5 3.5 1 1
44 1 . . . . . 3.5 2.5 3.5 1 1
45 1 . . . . . 5.0 3.5 6.5 1 1
46 1 . . . . . 2.5 2.0 2.97 1 1
47 1 . . . . . 2.5 2.0 2.55 1 1
48 1 . . . . . 2.5 2.5 3.6 1 1
49 1 . . . . . 3.5 2.5 3.76 1 1
50 1 . . . . . 2.5 2.0 2.51 1 1
51 1 . . . . . 5.262 2.5 3.5 1 1
52 1 . . . . . 3.5 3.0 3.79 1 1
53 1 . . . . . 3.5 2.5 3.5 1 1
54 1 . . . . . 4.258 3.5 4.5 1 1
55 1 . . . . . 3.5 2.5 3.64 1 1
56 1 . . . . . 3.5 2.0 3.5 1 1
57 1 . . . . . 3.5 2.5 3.5 1 1
58 1 . . . . . 2.5 2.5 3.5 1 1
59 1 . . . . . 3.5 2.51 3.5 1 1
60 1 . . . . . 5.0 3.5 5.0 1 1
61 1 . . . . . 2.5 2.0 2.54 1 1
62 1 . . . . . 3.5 2.5 3.5 1 1
63 1 . . . . . 3.5 2.5 3.5 1 1
64 1 . . . . . 5.0 3.5 5.0 1 1
65 1 . . . . . 4.245 2.3 3.5 1 1
66 1 . . . . . 2.5 2.5 3.5 1 1
67 1 . . . . . 5.0 3.5 6.0 1 1
68 1 . . . . . 2.5 2.0 2.95 1 1
69 1 . . . . . 2.5 2.0 2.54 1 1
70 1 . . . . . 2.5 2.0 2.56 1 1
71 1 . . . . . 5.0 3.5 7.0 1 1
72 1 . . . . . 2.5 2.0 2.57 1 1
73 1 . . . . . 2.5 2.0 3.1 1 1
74 1 . . . . . 2.5 2.5 4.5 1 1
75 1 . . . . . 3.5 2.5 3.5 1 1
76 1 . . . . . 6.5 3.5 6.5 1 1
77 1 . . . . . 2.5 2.0 4.5 1 1
78 1 . . . . . 3.5 3.0 3.7 1 1
79 1 . . . . . 2.5 2.0 4.5 1 1
80 1 . . . . . 3.5 3.5 5.5 1 1
81 1 . . . . . 3.5 3.5 5.5 1 1
82 1 . . . . . 2.5 2.0 2.93 1 1
83 1 . . . . . 2.5 2.0 2.5 1 1
84 1 . . . . . 5.0 3.5 5.0 1 1
85 1 . . . . . 3.5 2.5 3.5 1 1
86 1 . . . . . 5.0 3.5 5.0 1 1
87 1 . . . . . 3.5 3.5 5.9 1 1
88 1 . . . . . 5.0 3.5 5.0 1 1
89 1 . . . . . 3.5 2.5 3.5 1 1
90 1 . . . . . 5.0 3.5 5.0 1 1
91 1 . . . . . 5.0 2.5 5.03 1 1
92 1 . . . . . 5.0 3.5 5.0 1 1
93 1 . . . . . 2.5 2.0 3.02 1 1
94 1 . . . . . 2.5 2.0 2.53 1 1
95 1 . . . . . 2.5 2.0 2.56 1 1
96 1 . . . . . 2.5 2.0 2.5 1 1
97 1 . . . . . 4.248 2.5 3.5 1 1
98 1 . . . . . 3.5 2.5 3.5 1 1
99 1 . . . . . 3.5 2.5 3.5 1 1
100 1 . . . . . 2.5 2.5 3.5 1 1
101 1 . . . . . 3.5 2.5 3.6 1 1
102 1 . . . . . 3.5 3.5 5.0 1 1
103 1 . . . . . 3.5 2.51 3.5 1 1
104 1 . . . . . 2.5 2.0 3.0 1 1
105 1 . . . . . 2.5 2.0 2.5 1 1
106 1 . . . . . 3.5 3.5 4.2 1 1
107 1 . . . . . 2.5 2.0 2.51 1 1
108 1 . . . . . 3.5 3.5 5.0 1 1
109 1 . . . . . 3.5 2.5 3.5 1 1
110 1 . . . . . 2.5 2.5 3.5 1 1
111 1 . . . . . 3.5 2.5 3.54 1 1
112 1 . . . . . 5.0 3.5 5.0 1 1
113 1 . . . . . 3.5 2.49 3.5 1 1
114 1 . . . . . 3.5 2.5 3.64 1 1
115 1 . . . . . 5.0 3.5 5.0 1 1
116 1 . . . . . 2.5 2.0 2.51 1 1
117 1 . . . . . 5.0 3.5 5.06 1 1
118 1 . . . . . 3.5 3.0 3.66 1 1
119 1 . . . . . 5.0 3.5 6.5 1 1
120 1 . . . . . 5.0 3.5 6.5 1 1
121 1 . . . . . 2.5 2.0 2.53 1 1
122 1 . . . . . 2.5 2.0 2.57 1 1
123 1 . . . . . 4.253 2.0 2.6 1 1
124 1 . . . . . 3.5 2.5 3.52 1 1
125 1 . . . . . 4.253 2.5 3.5 1 1
126 1 . . . . . 4.253 3.5 5.0 1 1
127 1 . . . . . 5.0 3.5 7.4 1 1
128 1 . . . . . 2.5 2.5 3.5 1 1
129 1 . . . . . 3.5 3.5 4.21 1 1
130 1 . . . . . 3.5 2.5 3.5 1 1
131 1 . . . . . 2.5 2.5 3.5 1 1
132 1 . . . . . 3.5 2.51 3.5 1 1
133 1 . . . . . 5.0 3.5 5.0 1 1
134 1 . . . . . 4.245 2.5 3.5 1 1
135 1 . . . . . 2.5 2.0 3.5 1 1
136 1 . . . . . 2.5 2.0 3.0 1 1
137 1 . . . . . 4.249 2.5 3.56 1 1
138 1 . . . . . 2.5 1.8 2.72 1 1
139 1 . . . . . 3.5 2.5 3.5 1 1
140 1 . . . . . 3.5 2.5 3.6 1 1
141 1 . . . . . 3.5 2.5 3.5 1 1
142 1 . . . . . 3.5 2.51 3.53 1 1
143 1 . . . . . 2.5 2.0 2.9 1 1
144 1 . . . . . 2.5 2.3 3.5 1 1
145 1 . . . . . 2.5 2.5 3.5 1 1
146 1 . . . . . 2.5 2.0 3.5 1 1
147 1 . . . . . 2.5 2.5 3.5 1 1
148 1 . . . . . 5.0 3.5 5.0 1 1
149 1 . . . . . 2.5 2.0 3.01 1 1
150 1 . . . . . 2.5 2.0 2.5 1 1
151 1 . . . . . 3.5 3.5 5.0 1 1
152 1 . . . . . 2.5 2.0 2.7 1 1
153 1 . . . . . 5.0 3.5 6.5 1 1
154 1 . . . . . 2.5 2.0 3.0 1 1
155 1 . . . . . 3.5 2.5 3.5 1 1
156 1 . . . . . 3.5 2.5 3.5 1 1
157 1 . . . . . 2.5 1.8 2.5 1 1
158 1 . . . . . 3.5 2.0 2.8 1 1
159 1 . . . . . 5.0 2.5 3.5 1 1
160 1 . . . . . 3.5 2.5 3.5 1 1
161 1 . . . . . 5.254 2.5 4.5 1 1
162 1 . . . . . 5.0 3.5 5.0 1 1
163 1 . . . . . 2.5 2.0 4.5 1 1
164 1 . . . . . 2.5 2.0 2.5 1 1
165 1 . . . . . 5.0 3.5 4.5 1 1
166 1 . . . . . 3.5 2.5 3.5 1 1
167 1 . . . . . 3.5 2.51 3.5 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ALA C C 10.528 6.057 -4.124 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C 11.639 6.071 -5.147 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C 12.598 7.261 -4.969 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA H1 H 10.228 6.675 -6.503 1.00 . A A . 1 ALA H1 1 1
1 5 1 1 1 ALA H2 H 11.789 6.592 -7.123 1.00 . A A . 1 ALA H2 1 1
1 6 1 1 1 ALA H3 H 10.918 5.180 -6.846 1.00 . A A . 1 ALA H3 1 1
1 7 1 1 1 ALA HA H 12.201 5.125 -5.034 1.00 . A A . 1 ALA HA 1 1
1 8 1 1 1 ALA HB1 H 13.427 7.234 -5.702 1.00 . A A . 1 ALA HB1 1 1
1 9 1 1 1 ALA HB2 H 12.084 8.233 -5.097 1.00 . A A . 1 ALA HB2 1 1
1 10 1 1 1 ALA HB3 H 13.063 7.269 -3.966 1.00 . A A . 1 ALA HB3 1 1
1 11 1 1 1 ALA N N 11.104 6.134 -6.504 1.00 . A A . 1 ALA N 1 1
1 12 1 1 1 ALA O O 9.335 6.157 -4.445 1.00 . A A . 1 ALA O 1 1
1 13 1 1 2 LEU C C 8.934 4.688 -2.095 1.00 . A A . 2 LEU C 1 1
1 14 1 1 2 LEU CA C 9.941 5.771 -1.777 1.00 . A A . 2 LEU CA 1 1
1 15 1 1 2 LEU CB C 9.256 7.135 -1.482 1.00 . A A . 2 LEU CB 1 1
1 16 1 1 2 LEU CD1 C 9.927 9.480 -2.302 1.00 . A A . 2 LEU CD1 1 1
1 17 1 1 2 LEU CD2 C 9.978 8.933 0.149 1.00 . A A . 2 LEU CD2 1 1
1 18 1 1 2 LEU CG C 10.171 8.371 -1.266 1.00 . A A . 2 LEU CG 1 1
1 19 1 1 2 LEU H H 11.952 5.860 -2.696 1.00 . A A . 2 LEU H 1 1
1 20 1 1 2 LEU HA H 10.484 5.424 -0.879 1.00 . A A . 2 LEU HA 1 1
1 21 1 1 2 LEU HB2 H 8.553 7.367 -2.307 1.00 . A A . 2 LEU HB2 1 1
1 22 1 1 2 LEU HB3 H 8.608 7.017 -0.591 1.00 . A A . 2 LEU HB3 1 1
1 23 1 1 2 LEU HD11 H 9.933 9.076 -3.331 1.00 . A A . 2 LEU HD11 1 1
1 24 1 1 2 LEU HD12 H 8.940 9.960 -2.168 1.00 . A A . 2 LEU HD12 1 1
1 25 1 1 2 LEU HD13 H 10.695 10.274 -2.256 1.00 . A A . 2 LEU HD13 1 1
1 26 1 1 2 LEU HD21 H 10.104 8.152 0.923 1.00 . A A . 2 LEU HD21 1 1
1 27 1 1 2 LEU HD22 H 10.697 9.742 0.382 1.00 . A A . 2 LEU HD22 1 1
1 28 1 1 2 LEU HD23 H 8.963 9.351 0.287 1.00 . A A . 2 LEU HD23 1 1
1 29 1 1 2 LEU HG H 11.229 8.038 -1.359 1.00 . A A . 2 LEU HG 1 1
1 30 1 1 2 LEU N N 10.904 5.911 -2.868 1.00 . A A . 2 LEU N 1 1
1 31 1 1 2 LEU O O 7.744 4.764 -1.764 1.00 . A A . 2 LEU O 1 1
1 32 1 1 3 ASP C C 8.191 1.581 -2.116 1.00 . A A . 3 ASP C 1 1
1 33 1 1 3 ASP CA C 8.566 2.552 -3.211 1.00 . A A . 3 ASP CA 1 1
1 34 1 1 3 ASP CB C 9.255 1.827 -4.401 1.00 . A A . 3 ASP CB 1 1
1 35 1 1 3 ASP CG C 8.330 1.144 -5.418 1.00 . A A . 3 ASP CG 1 1
1 36 1 1 3 ASP H H 10.480 3.611 -2.841 1.00 . A A . 3 ASP H 1 1
1 37 1 1 3 ASP HA H 7.623 3.025 -3.546 1.00 . A A . 3 ASP HA 1 1
1 38 1 1 3 ASP HB2 H 9.909 2.517 -4.960 1.00 . A A . 3 ASP HB2 1 1
1 39 1 1 3 ASP HB3 H 9.940 1.051 -4.006 1.00 . A A . 3 ASP HB3 1 1
1 40 1 1 3 ASP N N 9.419 3.636 -2.732 1.00 . A A . 3 ASP N 1 1
1 41 1 1 3 ASP O O 7.241 0.786 -2.256 1.00 . A A . 3 ASP O 1 1
1 42 1 1 3 ASP OD1 O 7.147 1.808 -5.590 1.00 . A A . 3 ASP OD1 1 1
1 43 1 1 3 ASP OD2 O 8.638 0.125 -6.020 1.00 . A A . 3 ASP OD2 1 1
1 44 1 1 4 LYS C C 7.466 1.202 0.911 1.00 . A A . 4 LYS C 1 1
1 45 1 1 4 LYS CA C 8.644 0.704 0.108 1.00 . A A . 4 LYS CA 1 1
1 46 1 1 4 LYS CB C 9.919 0.597 0.991 1.00 . A A . 4 LYS CB 1 1
1 47 1 1 4 LYS CD C 10.500 -1.901 1.406 1.00 . A A . 4 LYS CD 1 1
1 48 1 1 4 LYS CE C 11.810 -2.634 1.723 1.00 . A A . 4 LYS CE 1 1
1 49 1 1 4 LYS CG C 10.815 -0.616 0.635 1.00 . A A . 4 LYS CG 1 1
1 50 1 1 4 LYS H H 9.703 2.311 -0.977 1.00 . A A . 4 LYS H 1 1
1 51 1 1 4 LYS HA H 8.380 -0.295 -0.286 1.00 . A A . 4 LYS HA 1 1
1 52 1 1 4 LYS HB2 H 10.516 1.526 0.896 1.00 . A A . 4 LYS HB2 1 1
1 53 1 1 4 LYS HB3 H 9.625 0.555 2.060 1.00 . A A . 4 LYS HB3 1 1
1 54 1 1 4 LYS HD2 H 9.939 -1.657 2.329 1.00 . A A . 4 LYS HD2 1 1
1 55 1 1 4 LYS HD3 H 9.836 -2.550 0.799 1.00 . A A . 4 LYS HD3 1 1
1 56 1 1 4 LYS HE2 H 12.498 -1.972 2.291 1.00 . A A . 4 LYS HE2 1 1
1 57 1 1 4 LYS HE3 H 11.630 -3.513 2.377 1.00 . A A . 4 LYS HE3 1 1
1 58 1 1 4 LYS HG2 H 10.713 -0.865 -0.438 1.00 . A A . 4 LYS HG2 1 1
1 59 1 1 4 LYS HG3 H 11.880 -0.343 0.775 1.00 . A A . 4 LYS HG3 1 1
1 60 1 1 4 LYS HZ1 H 11.714 -3.372 -0.198 1.00 . A A . 4 LYS HZ1 1 1
1 61 1 1 4 LYS HZ2 H 12.980 -2.297 0.061 1.00 . A A . 4 LYS HZ2 1 1
1 62 1 1 4 LYS HZ3 H 13.074 -3.865 0.659 1.00 . A A . 4 LYS HZ3 1 1
1 63 1 1 4 LYS N N 8.920 1.592 -1.018 1.00 . A A . 4 LYS N 1 1
1 64 1 1 4 LYS NZ N 12.442 -3.075 0.467 1.00 . A A . 4 LYS NZ 1 1
1 65 1 1 4 LYS O O 6.683 0.428 1.480 1.00 . A A . 4 LYS O 1 1
1 66 1 1 5 LEU C C 4.956 3.170 0.901 1.00 . A A . 5 LEU C 1 1
1 67 1 1 5 LEU CA C 6.229 3.137 1.713 1.00 . A A . 5 LEU CA 1 1
1 68 1 1 5 LEU CB C 6.632 4.568 2.171 1.00 . A A . 5 LEU CB 1 1
1 69 1 1 5 LEU CD1 C 6.504 3.931 4.617 1.00 . A A . 5 LEU CD1 1 1
1 70 1 1 5 LEU CD2 C 8.765 4.297 3.584 1.00 . A A . 5 LEU CD2 1 1
1 71 1 1 5 LEU CG C 7.289 4.730 3.568 1.00 . A A . 5 LEU CG 1 1
1 72 1 1 5 LEU H H 8.058 3.088 0.463 1.00 . A A . 5 LEU H 1 1
1 73 1 1 5 LEU HA H 6.013 2.513 2.600 1.00 . A A . 5 LEU HA 1 1
1 74 1 1 5 LEU HB2 H 7.318 5.002 1.415 1.00 . A A . 5 LEU HB2 1 1
1 75 1 1 5 LEU HB3 H 5.733 5.214 2.133 1.00 . A A . 5 LEU HB3 1 1
1 76 1 1 5 LEU HD11 H 5.444 4.245 4.665 1.00 . A A . 5 LEU HD11 1 1
1 77 1 1 5 LEU HD12 H 6.513 2.844 4.409 1.00 . A A . 5 LEU HD12 1 1
1 78 1 1 5 LEU HD13 H 6.921 4.072 5.632 1.00 . A A . 5 LEU HD13 1 1
1 79 1 1 5 LEU HD21 H 8.900 3.256 3.238 1.00 . A A . 5 LEU HD21 1 1
1 80 1 1 5 LEU HD22 H 9.379 4.943 2.929 1.00 . A A . 5 LEU HD22 1 1
1 81 1 1 5 LEU HD23 H 9.208 4.376 4.594 1.00 . A A . 5 LEU HD23 1 1
1 82 1 1 5 LEU HG H 7.239 5.802 3.850 1.00 . A A . 5 LEU HG 1 1
1 83 1 1 5 LEU N N 7.317 2.513 0.966 1.00 . A A . 5 LEU N 1 1
1 84 1 1 5 LEU O O 3.845 2.972 1.415 1.00 . A A . 5 LEU O 1 1
1 85 1 1 6 LYS C C 3.271 2.262 -1.525 1.00 . A A . 6 LYS C 1 1
1 86 1 1 6 LYS CA C 3.936 3.592 -1.267 1.00 . A A . 6 LYS CA 1 1
1 87 1 1 6 LYS CB C 4.395 4.258 -2.594 1.00 . A A . 6 LYS CB 1 1
1 88 1 1 6 LYS CD C 6.011 6.093 -3.463 1.00 . A A . 6 LYS CD 1 1
1 89 1 1 6 LYS CE C 5.413 7.237 -4.291 1.00 . A A . 6 LYS CE 1 1
1 90 1 1 6 LYS CG C 5.010 5.665 -2.385 1.00 . A A . 6 LYS CG 1 1
1 91 1 1 6 LYS H H 6.085 3.579 -0.734 1.00 . A A . 6 LYS H 1 1
1 92 1 1 6 LYS HA H 3.195 4.238 -0.761 1.00 . A A . 6 LYS HA 1 1
1 93 1 1 6 LYS HB2 H 5.140 3.611 -3.098 1.00 . A A . 6 LYS HB2 1 1
1 94 1 1 6 LYS HB3 H 3.541 4.317 -3.300 1.00 . A A . 6 LYS HB3 1 1
1 95 1 1 6 LYS HD2 H 6.966 6.394 -2.987 1.00 . A A . 6 LYS HD2 1 1
1 96 1 1 6 LYS HD3 H 6.249 5.229 -4.118 1.00 . A A . 6 LYS HD3 1 1
1 97 1 1 6 LYS HE2 H 4.457 7.583 -3.842 1.00 . A A . 6 LYS HE2 1 1
1 98 1 1 6 LYS HE3 H 6.082 8.122 -4.294 1.00 . A A . 6 LYS HE3 1 1
1 99 1 1 6 LYS HG2 H 4.213 6.432 -2.371 1.00 . A A . 6 LYS HG2 1 1
1 100 1 1 6 LYS HG3 H 5.487 5.717 -1.386 1.00 . A A . 6 LYS HG3 1 1
1 101 1 1 6 LYS HZ1 H 5.893 6.061 -5.913 1.00 . A A . 6 LYS HZ1 1 1
1 102 1 1 6 LYS HZ2 H 4.249 6.378 -5.759 1.00 . A A . 6 LYS HZ2 1 1
1 103 1 1 6 LYS HZ3 H 5.287 7.576 -6.319 1.00 . A A . 6 LYS HZ3 1 1
1 104 1 1 6 LYS N N 5.090 3.441 -0.384 1.00 . A A . 6 LYS N 1 1
1 105 1 1 6 LYS NZ N 5.194 6.779 -5.674 1.00 . A A . 6 LYS NZ 1 1
1 106 1 1 6 LYS O O 2.039 2.143 -1.587 1.00 . A A . 6 LYS O 1 1
1 107 1 1 7 GLU C C 2.909 -0.603 -0.564 1.00 . A A . 7 GLU C 1 1
1 108 1 1 7 GLU CA C 3.577 -0.130 -1.834 1.00 . A A . 7 GLU CA 1 1
1 109 1 1 7 GLU CB C 4.763 -1.055 -2.226 1.00 . A A . 7 GLU CB 1 1
1 110 1 1 7 GLU CD C 3.919 -1.958 -4.580 1.00 . A A . 7 GLU CD 1 1
1 111 1 1 7 GLU CG C 5.016 -1.282 -3.753 1.00 . A A . 7 GLU CG 1 1
1 112 1 1 7 GLU H H 5.123 1.458 -1.692 1.00 . A A . 7 GLU H 1 1
1 113 1 1 7 GLU HA H 2.816 -0.144 -2.637 1.00 . A A . 7 GLU HA 1 1
1 114 1 1 7 GLU HB2 H 5.691 -0.654 -1.774 1.00 . A A . 7 GLU HB2 1 1
1 115 1 1 7 GLU HB3 H 4.625 -2.037 -1.734 1.00 . A A . 7 GLU HB3 1 1
1 116 1 1 7 GLU HG2 H 5.232 -0.314 -4.242 1.00 . A A . 7 GLU HG2 1 1
1 117 1 1 7 GLU HG3 H 5.939 -1.874 -3.903 1.00 . A A . 7 GLU HG3 1 1
1 118 1 1 7 GLU N N 4.082 1.234 -1.697 1.00 . A A . 7 GLU N 1 1
1 119 1 1 7 GLU O O 2.037 -1.490 -0.581 1.00 . A A . 7 GLU O 1 1
1 120 1 1 7 GLU OE1 O 2.855 -1.149 -4.843 1.00 . A A . 7 GLU OE1 1 1
1 121 1 1 7 GLU OE2 O 3.994 -3.116 -4.967 1.00 . A A . 7 GLU OE2 1 1
1 122 1 1 8 PHE C C 1.342 -0.044 2.043 1.00 . A A . 8 PHE C 1 1
1 123 1 1 8 PHE CA C 2.781 -0.462 1.862 1.00 . A A . 8 PHE CA 1 1
1 124 1 1 8 PHE CB C 3.632 0.175 3.004 1.00 . A A . 8 PHE CB 1 1
1 125 1 1 8 PHE CD1 C 2.145 0.280 5.058 1.00 . A A . 8 PHE CD1 1 1
1 126 1 1 8 PHE CD2 C 4.120 -1.108 5.156 1.00 . A A . 8 PHE CD2 1 1
1 127 1 1 8 PHE CE1 C 1.842 -0.053 6.374 1.00 . A A . 8 PHE CE1 1 1
1 128 1 1 8 PHE CE2 C 3.816 -1.441 6.474 1.00 . A A . 8 PHE CE2 1 1
1 129 1 1 8 PHE CG C 3.284 -0.250 4.439 1.00 . A A . 8 PHE CG 1 1
1 130 1 1 8 PHE CZ C 2.677 -0.916 7.081 1.00 . A A . 8 PHE CZ 1 1
1 131 1 1 8 PHE H H 4.029 0.730 0.476 1.00 . A A . 8 PHE H 1 1
1 132 1 1 8 PHE HA H 2.837 -1.564 1.922 1.00 . A A . 8 PHE HA 1 1
1 133 1 1 8 PHE HB2 H 4.707 -0.027 2.814 1.00 . A A . 8 PHE HB2 1 1
1 134 1 1 8 PHE HB3 H 3.562 1.278 2.939 1.00 . A A . 8 PHE HB3 1 1
1 135 1 1 8 PHE HD1 H 1.512 0.978 4.527 1.00 . A A . 8 PHE HD1 1 1
1 136 1 1 8 PHE HD2 H 5.015 -1.506 4.698 1.00 . A A . 8 PHE HD2 1 1
1 137 1 1 8 PHE HE1 H 0.952 0.348 6.837 1.00 . A A . 8 PHE HE1 1 1
1 138 1 1 8 PHE HE2 H 4.463 -2.109 7.023 1.00 . A A . 8 PHE HE2 1 1
1 139 1 1 8 PHE HZ H 2.437 -1.178 8.101 1.00 . A A . 8 PHE HZ 1 1
1 140 1 1 8 PHE N N 3.295 -0.035 0.562 1.00 . A A . 8 PHE N 1 1
1 141 1 1 8 PHE O O 0.508 -0.772 2.598 1.00 . A A . 8 PHE O 1 1
1 142 1 1 9 GLY C C -1.260 0.979 0.691 1.00 . A A . 9 GLY C 1 1
1 143 1 1 9 GLY CA C -0.330 1.683 1.650 1.00 . A A . 9 GLY CA 1 1
1 144 1 1 9 GLY H H 1.846 1.747 1.241 1.00 . A A . 9 GLY H 1 1
1 145 1 1 9 GLY HA2 H -0.729 1.578 2.679 1.00 . A A . 9 GLY HA2 1 1
1 146 1 1 9 GLY HA3 H -0.335 2.767 1.421 1.00 . A A . 9 GLY HA3 1 1
1 147 1 1 9 GLY N N 1.032 1.162 1.598 1.00 . A A . 9 GLY N 1 1
1 148 1 1 9 GLY O O -2.495 1.083 0.800 1.00 . A A . 9 GLY O 1 1
1 149 1 1 10 ASN C C -1.931 -1.849 -0.572 1.00 . A A . 10 ASN C 1 1
1 150 1 1 10 ASN CA C -1.502 -0.543 -1.198 1.00 . A A . 10 ASN CA 1 1
1 151 1 1 10 ASN CB C -0.665 -0.805 -2.486 1.00 . A A . 10 ASN CB 1 1
1 152 1 1 10 ASN CG C -1.383 -1.467 -3.666 1.00 . A A . 10 ASN CG 1 1
1 153 1 1 10 ASN H H 0.341 0.382 -0.395 1.00 . A A . 10 ASN H 1 1
1 154 1 1 10 ASN HA H -2.428 0.011 -1.448 1.00 . A A . 10 ASN HA 1 1
1 155 1 1 10 ASN HB2 H -0.257 0.158 -2.855 1.00 . A A . 10 ASN HB2 1 1
1 156 1 1 10 ASN HB3 H 0.232 -1.402 -2.240 1.00 . A A . 10 ASN HB3 1 1
1 157 1 1 10 ASN HD21 H -3.152 -0.806 -3.039 1.00 . A A . 10 ASN HD21 1 1
1 158 1 1 10 ASN HD22 H -3.066 -1.855 -4.558 1.00 . A A . 10 ASN HD22 1 1
1 159 1 1 10 ASN N N -0.712 0.278 -0.282 1.00 . A A . 10 ASN N 1 1
1 160 1 1 10 ASN ND2 N -2.673 -1.306 -3.788 1.00 . A A . 10 ASN ND2 1 1
1 161 1 1 10 ASN O O -2.868 -2.518 -1.043 1.00 . A A . 10 ASN O 1 1
1 162 1 1 10 ASN OD1 O -0.791 -2.141 -4.496 1.00 . A A . 10 ASN OD1 1 1
1 163 1 1 11 THR C C -2.797 -3.101 2.171 1.00 . A A . 11 THR C 1 1
1 164 1 1 11 THR CA C -1.639 -3.434 1.258 1.00 . A A . 11 THR CA 1 1
1 165 1 1 11 THR CB C -0.423 -3.957 2.094 1.00 . A A . 11 THR CB 1 1
1 166 1 1 11 THR CG2 C -0.766 -4.696 3.408 1.00 . A A . 11 THR CG2 1 1
1 167 1 1 11 THR H H -0.367 -1.710 0.706 1.00 . A A . 11 THR H 1 1
1 168 1 1 11 THR HA H -1.975 -4.232 0.571 1.00 . A A . 11 THR HA 1 1
1 169 1 1 11 THR HB H 0.225 -3.088 2.344 1.00 . A A . 11 THR HB 1 1
1 170 1 1 11 THR HG1 H 1.100 -5.118 1.892 1.00 . A A . 11 THR HG1 1 1
1 171 1 1 11 THR HG21 H -1.408 -5.578 3.226 1.00 . A A . 11 THR HG21 1 1
1 172 1 1 11 THR HG22 H 0.138 -5.050 3.934 1.00 . A A . 11 THR HG22 1 1
1 173 1 1 11 THR HG23 H -1.298 -4.048 4.130 1.00 . A A . 11 THR HG23 1 1
1 174 1 1 11 THR N N -1.249 -2.263 0.477 1.00 . A A . 11 THR N 1 1
1 175 1 1 11 THR O O -3.800 -3.822 2.262 1.00 . A A . 11 THR O 1 1
1 176 1 1 11 THR OG1 O 0.338 -4.897 1.348 1.00 . A A . 11 THR OG1 1 1
1 177 1 1 12 LEU C C -5.027 -1.330 2.998 1.00 . A A . 12 LEU C 1 1
1 178 1 1 12 LEU CA C -3.722 -1.483 3.746 1.00 . A A . 12 LEU CA 1 1
1 179 1 1 12 LEU CB C -3.291 -0.125 4.375 1.00 . A A . 12 LEU CB 1 1
1 180 1 1 12 LEU CD1 C -3.589 1.465 6.376 1.00 . A A . 12 LEU CD1 1 1
1 181 1 1 12 LEU CD2 C -5.262 1.458 4.502 1.00 . A A . 12 LEU CD2 1 1
1 182 1 1 12 LEU CG C -4.290 0.595 5.319 1.00 . A A . 12 LEU CG 1 1
1 183 1 1 12 LEU H H -1.697 -1.533 2.839 1.00 . A A . 12 LEU H 1 1
1 184 1 1 12 LEU HA H -3.914 -2.223 4.545 1.00 . A A . 12 LEU HA 1 1
1 185 1 1 12 LEU HB2 H -2.341 -0.274 4.928 1.00 . A A . 12 LEU HB2 1 1
1 186 1 1 12 LEU HB3 H -3.022 0.566 3.551 1.00 . A A . 12 LEU HB3 1 1
1 187 1 1 12 LEU HD11 H -2.792 0.901 6.894 1.00 . A A . 12 LEU HD11 1 1
1 188 1 1 12 LEU HD12 H -3.096 2.346 5.925 1.00 . A A . 12 LEU HD12 1 1
1 189 1 1 12 LEU HD13 H -4.289 1.831 7.149 1.00 . A A . 12 LEU HD13 1 1
1 190 1 1 12 LEU HD21 H -5.756 0.876 3.701 1.00 . A A . 12 LEU HD21 1 1
1 191 1 1 12 LEU HD22 H -6.063 1.896 5.128 1.00 . A A . 12 LEU HD22 1 1
1 192 1 1 12 LEU HD23 H -4.742 2.298 4.004 1.00 . A A . 12 LEU HD23 1 1
1 193 1 1 12 LEU HG H -4.885 -0.179 5.847 1.00 . A A . 12 LEU HG 1 1
1 194 1 1 12 LEU N N -2.658 -2.001 2.889 1.00 . A A . 12 LEU N 1 1
1 195 1 1 12 LEU O O -6.101 -1.729 3.472 1.00 . A A . 12 LEU O 1 1
1 196 1 1 13 GLU C C -6.772 -1.802 0.584 1.00 . A A . 13 GLU C 1 1
1 197 1 1 13 GLU CA C -6.153 -0.491 1.011 1.00 . A A . 13 GLU CA 1 1
1 198 1 1 13 GLU CB C -5.745 0.367 -0.219 1.00 . A A . 13 GLU CB 1 1
1 199 1 1 13 GLU CD C -4.344 2.589 -0.638 1.00 . A A . 13 GLU CD 1 1
1 200 1 1 13 GLU CG C -5.545 1.901 0.016 1.00 . A A . 13 GLU CG 1 1
1 201 1 1 13 GLU H H -3.990 -0.464 1.490 1.00 . A A . 13 GLU H 1 1
1 202 1 1 13 GLU HA H -6.896 0.060 1.617 1.00 . A A . 13 GLU HA 1 1
1 203 1 1 13 GLU HB2 H -4.811 -0.045 -0.646 1.00 . A A . 13 GLU HB2 1 1
1 204 1 1 13 GLU HB3 H -6.497 0.221 -1.018 1.00 . A A . 13 GLU HB3 1 1
1 205 1 1 13 GLU HG2 H -6.445 2.448 -0.322 1.00 . A A . 13 GLU HG2 1 1
1 206 1 1 13 GLU HG3 H -5.488 2.115 1.100 1.00 . A A . 13 GLU HG3 1 1
1 207 1 1 13 GLU N N -4.963 -0.728 1.826 1.00 . A A . 13 GLU N 1 1
1 208 1 1 13 GLU O O -7.964 -2.072 0.782 1.00 . A A . 13 GLU O 1 1
1 209 1 1 13 GLU OE1 O -3.916 2.277 -1.741 1.00 . A A . 13 GLU OE1 1 1
1 210 1 1 13 GLU OE2 O -3.799 3.580 0.122 1.00 . A A . 13 GLU OE2 1 1
1 211 1 1 14 ASP C C -7.051 -4.710 0.742 1.00 . A A . 14 ASP C 1 1
1 212 1 1 14 ASP CA C -6.359 -3.998 -0.398 1.00 . A A . 14 ASP CA 1 1
1 213 1 1 14 ASP CB C -5.125 -4.791 -0.917 1.00 . A A . 14 ASP CB 1 1
1 214 1 1 14 ASP CG C -5.004 -4.966 -2.437 1.00 . A A . 14 ASP CG 1 1
1 215 1 1 14 ASP H H -5.003 -2.248 -0.296 1.00 . A A . 14 ASP H 1 1
1 216 1 1 14 ASP HA H -7.102 -3.923 -1.212 1.00 . A A . 14 ASP HA 1 1
1 217 1 1 14 ASP HB2 H -4.185 -4.337 -0.560 1.00 . A A . 14 ASP HB2 1 1
1 218 1 1 14 ASP HB3 H -5.148 -5.801 -0.468 1.00 . A A . 14 ASP HB3 1 1
1 219 1 1 14 ASP N N -5.962 -2.642 -0.036 1.00 . A A . 14 ASP N 1 1
1 220 1 1 14 ASP O O -7.853 -5.639 0.527 1.00 . A A . 14 ASP O 1 1
1 221 1 1 14 ASP OD1 O -5.446 -4.157 -3.240 1.00 . A A . 14 ASP OD1 1 1
1 222 1 1 14 ASP OD2 O -4.375 -6.129 -2.788 1.00 . A A . 14 ASP OD2 1 1
1 223 1 1 15 LYS C C -8.891 -4.877 3.059 1.00 . A A . 15 LYS C 1 1
1 224 1 1 15 LYS CA C -7.384 -4.928 3.141 1.00 . A A . 15 LYS CA 1 1
1 225 1 1 15 LYS CB C -6.874 -4.224 4.428 1.00 . A A . 15 LYS CB 1 1
1 226 1 1 15 LYS CD C -6.294 -5.529 6.598 1.00 . A A . 15 LYS CD 1 1
1 227 1 1 15 LYS CE C -5.065 -5.786 7.481 1.00 . A A . 15 LYS CE 1 1
1 228 1 1 15 LYS CG C -5.833 -5.060 5.215 1.00 . A A . 15 LYS CG 1 1
1 229 1 1 15 LYS H H -6.048 -3.534 2.050 1.00 . A A . 15 LYS H 1 1
1 230 1 1 15 LYS HA H -7.090 -5.994 3.163 1.00 . A A . 15 LYS HA 1 1
1 231 1 1 15 LYS HB2 H -6.428 -3.245 4.166 1.00 . A A . 15 LYS HB2 1 1
1 232 1 1 15 LYS HB3 H -7.734 -3.980 5.085 1.00 . A A . 15 LYS HB3 1 1
1 233 1 1 15 LYS HD2 H -6.964 -4.770 7.047 1.00 . A A . 15 LYS HD2 1 1
1 234 1 1 15 LYS HD3 H -6.895 -6.456 6.499 1.00 . A A . 15 LYS HD3 1 1
1 235 1 1 15 LYS HE2 H -4.224 -5.129 7.176 1.00 . A A . 15 LYS HE2 1 1
1 236 1 1 15 LYS HE3 H -5.275 -5.535 8.541 1.00 . A A . 15 LYS HE3 1 1
1 237 1 1 15 LYS HG2 H -5.569 -5.974 4.648 1.00 . A A . 15 LYS HG2 1 1
1 238 1 1 15 LYS HG3 H -4.889 -4.487 5.306 1.00 . A A . 15 LYS HG3 1 1
1 239 1 1 15 LYS HZ1 H -5.021 -7.591 6.488 1.00 . A A . 15 LYS HZ1 1 1
1 240 1 1 15 LYS HZ2 H -3.648 -7.280 7.408 1.00 . A A . 15 LYS HZ2 1 1
1 241 1 1 15 LYS HZ3 H -5.081 -7.730 8.163 1.00 . A A . 15 LYS HZ3 1 1
1 242 1 1 15 LYS N N -6.772 -4.309 1.967 1.00 . A A . 15 LYS N 1 1
1 243 1 1 15 LYS NZ N -4.675 -7.203 7.377 1.00 . A A . 15 LYS NZ 1 1
1 244 1 1 15 LYS O O -9.587 -5.900 3.158 1.00 . A A . 15 LYS O 1 1
1 245 1 1 16 ALA C C -11.272 -2.480 1.797 1.00 . A A . 16 ALA C 1 1
1 246 1 1 16 ALA CA C -10.876 -3.488 2.852 1.00 . A A . 16 ALA CA 1 1
1 247 1 1 16 ALA CB C -11.331 -3.077 4.264 1.00 . A A . 16 ALA CB 1 1
1 248 1 1 16 ALA H H -8.750 -2.876 2.763 1.00 . A A . 16 ALA H 1 1
1 249 1 1 16 ALA HA H -11.345 -4.450 2.573 1.00 . A A . 16 ALA HA 1 1
1 250 1 1 16 ALA HB1 H -11.068 -3.844 5.018 1.00 . A A . 16 ALA HB1 1 1
1 251 1 1 16 ALA HB2 H -10.866 -2.128 4.593 1.00 . A A . 16 ALA HB2 1 1
1 252 1 1 16 ALA HB3 H -12.426 -2.941 4.321 1.00 . A A . 16 ALA HB3 1 1
1 253 1 1 16 ALA N N -9.429 -3.683 2.895 1.00 . A A . 16 ALA N 1 1
1 254 1 1 16 ALA O O -12.102 -1.587 2.016 1.00 . A A . 16 ALA O 1 1
1 255 1 1 17 ARG C C -12.122 -2.473 -1.350 1.00 . A A . 17 ARG C 1 1
1 256 1 1 17 ARG CA C -11.059 -1.787 -0.523 1.00 . A A . 17 ARG CA 1 1
1 257 1 1 17 ARG CB C -9.809 -1.453 -1.385 1.00 . A A . 17 ARG CB 1 1
1 258 1 1 17 ARG CD C -9.117 -0.986 -3.812 1.00 . A A . 17 ARG CD 1 1
1 259 1 1 17 ARG CG C -10.113 -0.664 -2.689 1.00 . A A . 17 ARG CG 1 1
1 260 1 1 17 ARG CZ C -9.162 0.704 -5.653 1.00 . A A . 17 ARG CZ 1 1
1 261 1 1 17 ARG H H -9.894 -3.326 0.581 1.00 . A A . 17 ARG H 1 1
1 262 1 1 17 ARG HA H -11.492 -0.851 -0.127 1.00 . A A . 17 ARG HA 1 1
1 263 1 1 17 ARG HB2 H -9.090 -0.860 -0.786 1.00 . A A . 17 ARG HB2 1 1
1 264 1 1 17 ARG HB3 H -9.260 -2.383 -1.639 1.00 . A A . 17 ARG HB3 1 1
1 265 1 1 17 ARG HD2 H -8.224 -1.500 -3.400 1.00 . A A . 17 ARG HD2 1 1
1 266 1 1 17 ARG HD3 H -9.577 -1.679 -4.547 1.00 . A A . 17 ARG HD3 1 1
1 267 1 1 17 ARG HE H -8.060 0.891 -3.973 1.00 . A A . 17 ARG HE 1 1
1 268 1 1 17 ARG HG2 H -11.135 -0.883 -3.056 1.00 . A A . 17 ARG HG2 1 1
1 269 1 1 17 ARG HG3 H -10.102 0.425 -2.488 1.00 . A A . 17 ARG HG3 1 1
1 270 1 1 17 ARG HH11 H -10.304 -0.831 -5.985 1.00 . A A . 17 ARG HH11 1 1
1 271 1 1 17 ARG HH12 H -10.265 0.477 -7.286 1.00 . A A . 17 ARG HH12 1 1
1 272 1 1 17 ARG HH21 H -8.064 2.260 -5.425 1.00 . A A . 17 ARG HH21 1 1
1 273 1 1 17 ARG HH22 H -9.049 2.161 -6.987 1.00 . A A . 17 ARG HH22 1 1
1 274 1 1 17 ARG N N -10.680 -2.613 0.621 1.00 . A A . 17 ARG N 1 1
1 275 1 1 17 ARG NE N -8.726 0.284 -4.473 1.00 . A A . 17 ARG NE 1 1
1 276 1 1 17 ARG NH1 N -10.005 0.052 -6.398 1.00 . A A . 17 ARG NH1 1 1
1 277 1 1 17 ARG NH2 N -8.717 1.831 -6.083 1.00 . A A . 17 ARG NH2 1 1
1 278 1 1 17 ARG O O -13.137 -1.877 -1.736 1.00 . A A . 17 ARG O 1 1
1 279 1 1 18 GLU C C -13.187 -3.754 -3.715 1.00 . A A . 18 GLU C 1 1
1 280 1 1 18 GLU CA C -12.782 -4.536 -2.487 1.00 . A A . 18 GLU CA 1 1
1 281 1 1 18 GLU CB C -14.025 -4.999 -1.674 1.00 . A A . 18 GLU CB 1 1
1 282 1 1 18 GLU CD C -15.402 -3.009 -0.572 1.00 . A A . 18 GLU CD 1 1
1 283 1 1 18 GLU CG C -14.423 -4.174 -0.405 1.00 . A A . 18 GLU CG 1 1
1 284 1 1 18 GLU H H -11.081 -4.194 -1.112 1.00 . A A . 18 GLU H 1 1
1 285 1 1 18 GLU HA H -12.217 -5.424 -2.830 1.00 . A A . 18 GLU HA 1 1
1 286 1 1 18 GLU HB2 H -14.899 -5.033 -2.353 1.00 . A A . 18 GLU HB2 1 1
1 287 1 1 18 GLU HB3 H -13.874 -6.057 -1.377 1.00 . A A . 18 GLU HB3 1 1
1 288 1 1 18 GLU HG2 H -14.861 -4.847 0.361 1.00 . A A . 18 GLU HG2 1 1
1 289 1 1 18 GLU HG3 H -13.518 -3.769 0.084 1.00 . A A . 18 GLU HG3 1 1
1 290 1 1 18 GLU N N -11.915 -3.749 -1.612 1.00 . A A . 18 GLU N 1 1
1 291 1 1 18 GLU O O -14.341 -3.855 -4.235 1.00 . A A . 18 GLU O 1 1
1 292 1 1 18 GLU OXT O -12.298 -2.984 -4.200 1.00 . A A . 18 GLU OXT 1 1
1 293 1 1 18 GLU OE1 O -16.210 -2.946 -1.489 1.00 . A A . 18 GLU OE1 1 1
1 294 1 1 18 GLU OE2 O -15.288 -2.054 0.391 1.00 . A A . 18 GLU OE2 1 1
2 295 1 1 1 ALA C C 10.366 6.406 -4.098 1.00 . A A . 1 ALA C 1 1
2 296 1 1 1 ALA CA C 11.451 6.531 -5.142 1.00 . A A . 1 ALA CA 1 1
2 297 1 1 1 ALA CB C 12.439 7.671 -4.839 1.00 . A A . 1 ALA CB 1 1
2 298 1 1 1 ALA H1 H 10.077 7.414 -6.379 1.00 . A A . 1 ALA H1 1 1
2 299 1 1 1 ALA H2 H 11.597 7.209 -7.069 1.00 . A A . 1 ALA H2 1 1
2 300 1 1 1 ALA H3 H 10.575 5.887 -6.878 1.00 . A A . 1 ALA H3 1 1
2 301 1 1 1 ALA HA H 11.995 5.568 -5.166 1.00 . A A . 1 ALA HA 1 1
2 302 1 1 1 ALA HB1 H 13.249 7.724 -5.592 1.00 . A A . 1 ALA HB1 1 1
2 303 1 1 1 ALA HB2 H 11.943 8.661 -4.827 1.00 . A A . 1 ALA HB2 1 1
2 304 1 1 1 ALA HB3 H 12.929 7.541 -3.856 1.00 . A A . 1 ALA HB3 1 1
2 305 1 1 1 ALA N N 10.883 6.779 -6.464 1.00 . A A . 1 ALA N 1 1
2 306 1 1 1 ALA O O 9.166 6.551 -4.374 1.00 . A A . 1 ALA O 1 1
2 307 1 1 2 LEU C C 8.817 4.813 -2.198 1.00 . A A . 2 LEU C 1 1
2 308 1 1 2 LEU CA C 9.835 5.853 -1.785 1.00 . A A . 2 LEU CA 1 1
2 309 1 1 2 LEU CB C 9.165 7.176 -1.321 1.00 . A A . 2 LEU CB 1 1
2 310 1 1 2 LEU CD1 C 9.796 9.558 -1.907 1.00 . A A . 2 LEU CD1 1 1
2 311 1 1 2 LEU CD2 C 9.971 8.822 0.488 1.00 . A A . 2 LEU CD2 1 1
2 312 1 1 2 LEU CG C 10.094 8.374 -0.978 1.00 . A A . 2 LEU CG 1 1
2 313 1 1 2 LEU H H 11.824 6.037 -2.740 1.00 . A A . 2 LEU H 1 1
2 314 1 1 2 LEU HA H 10.399 5.409 -0.944 1.00 . A A . 2 LEU HA 1 1
2 315 1 1 2 LEU HB2 H 8.449 7.508 -2.100 1.00 . A A . 2 LEU HB2 1 1
2 316 1 1 2 LEU HB3 H 8.532 6.961 -0.438 1.00 . A A . 2 LEU HB3 1 1
2 317 1 1 2 LEU HD11 H 9.916 9.285 -2.973 1.00 . A A . 2 LEU HD11 1 1
2 318 1 1 2 LEU HD12 H 8.766 9.941 -1.783 1.00 . A A . 2 LEU HD12 1 1
2 319 1 1 2 LEU HD13 H 10.483 10.405 -1.721 1.00 . A A . 2 LEU HD13 1 1
2 320 1 1 2 LEU HD21 H 8.932 9.082 0.761 1.00 . A A . 2 LEU HD21 1 1
2 321 1 1 2 LEU HD22 H 10.303 8.025 1.180 1.00 . A A . 2 LEU HD22 1 1
2 322 1 1 2 LEU HD23 H 10.606 9.700 0.706 1.00 . A A . 2 LEU HD23 1 1
2 323 1 1 2 LEU HG H 11.146 8.058 -1.157 1.00 . A A . 2 LEU HG 1 1
2 324 1 1 2 LEU N N 10.772 6.112 -2.877 1.00 . A A . 2 LEU N 1 1
2 325 1 1 2 LEU O O 7.626 4.870 -1.864 1.00 . A A . 2 LEU O 1 1
2 326 1 1 3 ASP C C 8.150 1.671 -2.484 1.00 . A A . 3 ASP C 1 1
2 327 1 1 3 ASP CA C 8.434 2.772 -3.478 1.00 . A A . 3 ASP CA 1 1
2 328 1 1 3 ASP CB C 9.063 2.208 -4.784 1.00 . A A . 3 ASP CB 1 1
2 329 1 1 3 ASP CG C 8.203 2.295 -6.053 1.00 . A A . 3 ASP CG 1 1
2 330 1 1 3 ASP H H 10.350 3.810 -3.073 1.00 . A A . 3 ASP H 1 1
2 331 1 1 3 ASP HA H 7.462 3.252 -3.701 1.00 . A A . 3 ASP HA 1 1
2 332 1 1 3 ASP HB2 H 10.027 2.698 -5.002 1.00 . A A . 3 ASP HB2 1 1
2 333 1 1 3 ASP HB3 H 9.320 1.142 -4.632 1.00 . A A . 3 ASP HB3 1 1
2 334 1 1 3 ASP N N 9.292 3.818 -2.929 1.00 . A A . 3 ASP N 1 1
2 335 1 1 3 ASP O O 7.243 0.839 -2.688 1.00 . A A . 3 ASP O 1 1
2 336 1 1 3 ASP OD1 O 6.923 1.856 -5.858 1.00 . A A . 3 ASP OD1 1 1
2 337 1 1 3 ASP OD2 O 8.626 2.724 -7.117 1.00 . A A . 3 ASP OD2 1 1
2 338 1 1 4 LYS C C 7.502 1.115 0.536 1.00 . A A . 4 LYS C 1 1
2 339 1 1 4 LYS CA C 8.649 0.654 -0.332 1.00 . A A . 4 LYS CA 1 1
2 340 1 1 4 LYS CB C 9.942 0.465 0.509 1.00 . A A . 4 LYS CB 1 1
2 341 1 1 4 LYS CD C 10.849 -1.868 1.197 1.00 . A A . 4 LYS CD 1 1
2 342 1 1 4 LYS CE C 9.590 -2.744 1.146 1.00 . A A . 4 LYS CE 1 1
2 343 1 1 4 LYS CG C 10.758 -0.790 0.113 1.00 . A A . 4 LYS CG 1 1
2 344 1 1 4 LYS H H 9.695 2.320 -1.345 1.00 . A A . 4 LYS H 1 1
2 345 1 1 4 LYS HA H 8.358 -0.312 -0.784 1.00 . A A . 4 LYS HA 1 1
2 346 1 1 4 LYS HB2 H 10.585 1.362 0.409 1.00 . A A . 4 LYS HB2 1 1
2 347 1 1 4 LYS HB3 H 9.681 0.421 1.587 1.00 . A A . 4 LYS HB3 1 1
2 348 1 1 4 LYS HD2 H 11.767 -2.470 1.050 1.00 . A A . 4 LYS HD2 1 1
2 349 1 1 4 LYS HD3 H 10.944 -1.391 2.193 1.00 . A A . 4 LYS HD3 1 1
2 350 1 1 4 LYS HE2 H 8.820 -2.357 1.845 1.00 . A A . 4 LYS HE2 1 1
2 351 1 1 4 LYS HE3 H 9.124 -2.717 0.139 1.00 . A A . 4 LYS HE3 1 1
2 352 1 1 4 LYS HG2 H 10.306 -1.276 -0.772 1.00 . A A . 4 LYS HG2 1 1
2 353 1 1 4 LYS HG3 H 11.776 -0.486 -0.204 1.00 . A A . 4 LYS HG3 1 1
2 354 1 1 4 LYS HZ1 H 10.772 -4.134 2.103 1.00 . A A . 4 LYS HZ1 1 1
2 355 1 1 4 LYS HZ2 H 9.155 -4.580 1.974 1.00 . A A . 4 LYS HZ2 1 1
2 356 1 1 4 LYS HZ3 H 10.159 -4.655 0.626 1.00 . A A . 4 LYS HZ3 1 1
2 357 1 1 4 LYS N N 8.907 1.610 -1.406 1.00 . A A . 4 LYS N 1 1
2 358 1 1 4 LYS NZ N 9.946 -4.132 1.488 1.00 . A A . 4 LYS NZ 1 1
2 359 1 1 4 LYS O O 6.724 0.316 1.077 1.00 . A A . 4 LYS O 1 1
2 360 1 1 5 LEU C C 4.987 2.988 0.667 1.00 . A A . 5 LEU C 1 1
2 361 1 1 5 LEU CA C 6.282 3.012 1.445 1.00 . A A . 5 LEU CA 1 1
2 362 1 1 5 LEU CB C 6.643 4.462 1.877 1.00 . A A . 5 LEU CB 1 1
2 363 1 1 5 LEU CD1 C 6.388 3.886 4.328 1.00 . A A . 5 LEU CD1 1 1
2 364 1 1 5 LEU CD2 C 8.695 4.284 3.418 1.00 . A A . 5 LEU CD2 1 1
2 365 1 1 5 LEU CG C 7.214 4.678 3.305 1.00 . A A . 5 LEU CG 1 1
2 366 1 1 5 LEU H H 8.124 3.016 0.212 1.00 . A A . 5 LEU H 1 1
2 367 1 1 5 LEU HA H 6.114 2.390 2.343 1.00 . A A . 5 LEU HA 1 1
2 368 1 1 5 LEU HB2 H 7.370 4.878 1.150 1.00 . A A . 5 LEU HB2 1 1
2 369 1 1 5 LEU HB3 H 5.743 5.097 1.764 1.00 . A A . 5 LEU HB3 1 1
2 370 1 1 5 LEU HD11 H 5.320 4.173 4.307 1.00 . A A . 5 LEU HD11 1 1
2 371 1 1 5 LEU HD12 H 6.436 2.794 4.152 1.00 . A A . 5 LEU HD12 1 1
2 372 1 1 5 LEU HD13 H 6.740 4.064 5.362 1.00 . A A . 5 LEU HD13 1 1
2 373 1 1 5 LEU HD21 H 8.876 3.238 3.110 1.00 . A A . 5 LEU HD21 1 1
2 374 1 1 5 LEU HD22 H 9.331 4.929 2.783 1.00 . A A . 5 LEU HD22 1 1
2 375 1 1 5 LEU HD23 H 9.076 4.400 4.450 1.00 . A A . 5 LEU HD23 1 1
2 376 1 1 5 LEU HG H 7.121 5.756 3.554 1.00 . A A . 5 LEU HG 1 1
2 377 1 1 5 LEU N N 7.370 2.422 0.671 1.00 . A A . 5 LEU N 1 1
2 378 1 1 5 LEU O O 3.895 2.782 1.218 1.00 . A A . 5 LEU O 1 1
2 379 1 1 6 LYS C C 3.274 1.937 -1.673 1.00 . A A . 6 LYS C 1 1
2 380 1 1 6 LYS CA C 3.905 3.296 -1.490 1.00 . A A . 6 LYS CA 1 1
2 381 1 1 6 LYS CB C 4.313 3.908 -2.859 1.00 . A A . 6 LYS CB 1 1
2 382 1 1 6 LYS CD C 5.871 5.730 -3.853 1.00 . A A . 6 LYS CD 1 1
2 383 1 1 6 LYS CE C 5.211 6.780 -4.755 1.00 . A A . 6 LYS CE 1 1
2 384 1 1 6 LYS CG C 4.899 5.337 -2.737 1.00 . A A . 6 LYS CG 1 1
2 385 1 1 6 LYS H H 6.065 3.376 -1.008 1.00 . A A . 6 LYS H 1 1
2 386 1 1 6 LYS HA H 3.157 3.944 -0.997 1.00 . A A . 6 LYS HA 1 1
2 387 1 1 6 LYS HB2 H 5.060 3.254 -3.351 1.00 . A A . 6 LYS HB2 1 1
2 388 1 1 6 LYS HB3 H 3.440 3.910 -3.543 1.00 . A A . 6 LYS HB3 1 1
2 389 1 1 6 LYS HD2 H 6.814 6.110 -3.412 1.00 . A A . 6 LYS HD2 1 1
2 390 1 1 6 LYS HD3 H 6.144 4.833 -4.446 1.00 . A A . 6 LYS HD3 1 1
2 391 1 1 6 LYS HE2 H 4.466 6.303 -5.426 1.00 . A A . 6 LYS HE2 1 1
2 392 1 1 6 LYS HE3 H 4.644 7.524 -4.156 1.00 . A A . 6 LYS HE3 1 1
2 393 1 1 6 LYS HG2 H 4.085 6.086 -2.749 1.00 . A A . 6 LYS HG2 1 1
2 394 1 1 6 LYS HG3 H 5.391 5.453 -1.750 1.00 . A A . 6 LYS HG3 1 1
2 395 1 1 6 LYS HZ1 H 7.091 7.597 -4.968 1.00 . A A . 6 LYS HZ1 1 1
2 396 1 1 6 LYS HZ2 H 6.480 6.905 -6.373 1.00 . A A . 6 LYS HZ2 1 1
2 397 1 1 6 LYS HZ3 H 5.895 8.390 -5.844 1.00 . A A . 6 LYS HZ3 1 1
2 398 1 1 6 LYS N N 5.083 3.218 -0.629 1.00 . A A . 6 LYS N 1 1
2 399 1 1 6 LYS NZ N 6.247 7.470 -5.544 1.00 . A A . 6 LYS NZ 1 1
2 400 1 1 6 LYS O O 2.045 1.780 -1.701 1.00 . A A . 6 LYS O 1 1
2 401 1 1 7 GLU C C 2.962 -0.868 -0.597 1.00 . A A . 7 GLU C 1 1
2 402 1 1 7 GLU CA C 3.649 -0.457 -1.878 1.00 . A A . 7 GLU CA 1 1
2 403 1 1 7 GLU CB C 4.870 -1.370 -2.181 1.00 . A A . 7 GLU CB 1 1
2 404 1 1 7 GLU CD C 4.562 -2.443 -4.593 1.00 . A A . 7 GLU CD 1 1
2 405 1 1 7 GLU CG C 5.324 -1.486 -3.674 1.00 . A A . 7 GLU CG 1 1
2 406 1 1 7 GLU H H 5.146 1.178 -1.826 1.00 . A A . 7 GLU H 1 1
2 407 1 1 7 GLU HA H 2.911 -0.543 -2.697 1.00 . A A . 7 GLU HA 1 1
2 408 1 1 7 GLU HB2 H 5.732 -1.021 -1.580 1.00 . A A . 7 GLU HB2 1 1
2 409 1 1 7 GLU HB3 H 4.660 -2.384 -1.789 1.00 . A A . 7 GLU HB3 1 1
2 410 1 1 7 GLU HG2 H 5.288 -0.489 -4.152 1.00 . A A . 7 GLU HG2 1 1
2 411 1 1 7 GLU HG3 H 6.391 -1.773 -3.727 1.00 . A A . 7 GLU HG3 1 1
2 412 1 1 7 GLU N N 4.112 0.926 -1.810 1.00 . A A . 7 GLU N 1 1
2 413 1 1 7 GLU O O 2.091 -1.753 -0.580 1.00 . A A . 7 GLU O 1 1
2 414 1 1 7 GLU OE1 O 3.528 -2.132 -5.169 1.00 . A A . 7 GLU OE1 1 1
2 415 1 1 7 GLU OE2 O 5.143 -3.670 -4.710 1.00 . A A . 7 GLU OE2 1 1
2 416 1 1 8 PHE C C 1.402 -0.206 1.996 1.00 . A A . 8 PHE C 1 1
2 417 1 1 8 PHE CA C 2.840 -0.632 1.821 1.00 . A A . 8 PHE CA 1 1
2 418 1 1 8 PHE CB C 3.700 0.042 2.936 1.00 . A A . 8 PHE CB 1 1
2 419 1 1 8 PHE CD1 C 2.612 -1.480 4.670 1.00 . A A . 8 PHE CD1 1 1
2 420 1 1 8 PHE CD2 C 3.865 0.438 5.438 1.00 . A A . 8 PHE CD2 1 1
2 421 1 1 8 PHE CE1 C 2.338 -1.825 5.991 1.00 . A A . 8 PHE CE1 1 1
2 422 1 1 8 PHE CE2 C 3.590 0.093 6.756 1.00 . A A . 8 PHE CE2 1 1
2 423 1 1 8 PHE CG C 3.370 -0.342 4.386 1.00 . A A . 8 PHE CG 1 1
2 424 1 1 8 PHE CZ C 2.824 -1.037 7.034 1.00 . A A . 8 PHE CZ 1 1
2 425 1 1 8 PHE H H 4.074 0.515 0.386 1.00 . A A . 8 PHE H 1 1
2 426 1 1 8 PHE HA H 2.895 -1.732 1.920 1.00 . A A . 8 PHE HA 1 1
2 427 1 1 8 PHE HB2 H 4.773 -0.163 2.741 1.00 . A A . 8 PHE HB2 1 1
2 428 1 1 8 PHE HB3 H 3.626 1.143 2.836 1.00 . A A . 8 PHE HB3 1 1
2 429 1 1 8 PHE HD1 H 2.246 -2.105 3.868 1.00 . A A . 8 PHE HD1 1 1
2 430 1 1 8 PHE HD2 H 4.491 1.296 5.231 1.00 . A A . 8 PHE HD2 1 1
2 431 1 1 8 PHE HE1 H 1.745 -2.702 6.207 1.00 . A A . 8 PHE HE1 1 1
2 432 1 1 8 PHE HE2 H 3.959 0.713 7.561 1.00 . A A . 8 PHE HE2 1 1
2 433 1 1 8 PHE HZ H 2.607 -1.300 8.058 1.00 . A A . 8 PHE HZ 1 1
2 434 1 1 8 PHE N N 3.347 -0.252 0.504 1.00 . A A . 8 PHE N 1 1
2 435 1 1 8 PHE O O 0.568 -0.919 2.572 1.00 . A A . 8 PHE O 1 1
2 436 1 1 9 GLY C C -1.213 0.791 0.656 1.00 . A A . 9 GLY C 1 1
2 437 1 1 9 GLY CA C -0.266 1.519 1.579 1.00 . A A . 9 GLY CA 1 1
2 438 1 1 9 GLY H H 1.903 1.555 1.130 1.00 . A A . 9 GLY H 1 1
2 439 1 1 9 GLY HA2 H -0.647 1.447 2.616 1.00 . A A . 9 GLY HA2 1 1
2 440 1 1 9 GLY HA3 H -0.268 2.595 1.317 1.00 . A A . 9 GLY HA3 1 1
2 441 1 1 9 GLY N N 1.093 0.986 1.519 1.00 . A A . 9 GLY N 1 1
2 442 1 1 9 GLY O O -2.445 0.852 0.816 1.00 . A A . 9 GLY O 1 1
2 443 1 1 10 ASN C C -1.871 -2.035 -0.592 1.00 . A A . 10 ASN C 1 1
2 444 1 1 10 ASN CA C -1.478 -0.726 -1.235 1.00 . A A . 10 ASN CA 1 1
2 445 1 1 10 ASN CB C -0.667 -0.983 -2.542 1.00 . A A . 10 ASN CB 1 1
2 446 1 1 10 ASN CG C -1.399 -1.675 -3.695 1.00 . A A . 10 ASN CG 1 1
2 447 1 1 10 ASN H H 0.365 0.251 -0.491 1.00 . A A . 10 ASN H 1 1
2 448 1 1 10 ASN HA H -2.419 -0.189 -1.466 1.00 . A A . 10 ASN HA 1 1
2 449 1 1 10 ASN HB2 H -0.291 -0.016 -2.931 1.00 . A A . 10 ASN HB2 1 1
2 450 1 1 10 ASN HB3 H 0.250 -1.557 -2.312 1.00 . A A . 10 ASN HB3 1 1
2 451 1 1 10 ASN HD21 H -3.051 -0.617 -3.363 1.00 . A A . 10 ASN HD21 1 1
2 452 1 1 10 ASN HD22 H -3.044 -1.881 -4.709 1.00 . A A . 10 ASN HD22 1 1
2 453 1 1 10 ASN N N -0.680 0.114 -0.343 1.00 . A A . 10 ASN N 1 1
2 454 1 1 10 ASN ND2 N -2.618 -1.303 -3.980 1.00 . A A . 10 ASN ND2 1 1
2 455 1 1 10 ASN O O -2.797 -2.727 -1.049 1.00 . A A . 10 ASN O 1 1
2 456 1 1 10 ASN OD1 O -0.882 -2.563 -4.357 1.00 . A A . 10 ASN OD1 1 1
2 457 1 1 11 THR C C -2.686 -3.279 2.169 1.00 . A A . 11 THR C 1 1
2 458 1 1 11 THR CA C -1.527 -3.595 1.250 1.00 . A A . 11 THR CA 1 1
2 459 1 1 11 THR CB C -0.292 -4.078 2.084 1.00 . A A . 11 THR CB 1 1
2 460 1 1 11 THR CG2 C -0.602 -4.783 3.422 1.00 . A A . 11 THR CG2 1 1
2 461 1 1 11 THR H H -0.299 -1.850 0.670 1.00 . A A . 11 THR H 1 1
2 462 1 1 11 THR HA H -1.851 -4.407 0.574 1.00 . A A . 11 THR HA 1 1
2 463 1 1 11 THR HB H 0.345 -3.192 2.299 1.00 . A A . 11 THR HB 1 1
2 464 1 1 11 THR HG1 H 1.244 -5.222 1.887 1.00 . A A . 11 THR HG1 1 1
2 465 1 1 11 THR HG21 H -1.235 -5.679 3.277 1.00 . A A . 11 THR HG21 1 1
2 466 1 1 11 THR HG22 H 0.316 -5.111 3.942 1.00 . A A . 11 THR HG22 1 1
2 467 1 1 11 THR HG23 H -1.132 -4.124 4.135 1.00 . A A . 11 THR HG23 1 1
2 468 1 1 11 THR N N -1.170 -2.424 0.454 1.00 . A A . 11 THR N 1 1
2 469 1 1 11 THR O O -3.669 -4.024 2.282 1.00 . A A . 11 THR O 1 1
2 470 1 1 11 THR OG1 O 0.470 -5.027 1.349 1.00 . A A . 11 THR OG1 1 1
2 471 1 1 12 LEU C C -4.957 -1.556 2.989 1.00 . A A . 12 LEU C 1 1
2 472 1 1 12 LEU CA C -3.639 -1.656 3.723 1.00 . A A . 12 LEU CA 1 1
2 473 1 1 12 LEU CB C -3.239 -0.270 4.313 1.00 . A A . 12 LEU CB 1 1
2 474 1 1 12 LEU CD1 C -4.306 -0.240 6.608 1.00 . A A . 12 LEU CD1 1 1
2 475 1 1 12 LEU CD2 C -3.930 1.944 5.426 1.00 . A A . 12 LEU CD2 1 1
2 476 1 1 12 LEU CG C -4.254 0.452 5.238 1.00 . A A . 12 LEU CG 1 1
2 477 1 1 12 LEU H H -1.615 -1.681 2.811 1.00 . A A . 12 LEU H 1 1
2 478 1 1 12 LEU HA H -3.802 -2.381 4.542 1.00 . A A . 12 LEU HA 1 1
2 479 1 1 12 LEU HB2 H -2.285 -0.383 4.869 1.00 . A A . 12 LEU HB2 1 1
2 480 1 1 12 LEU HB3 H -2.987 0.404 3.470 1.00 . A A . 12 LEU HB3 1 1
2 481 1 1 12 LEU HD11 H -4.579 -1.309 6.517 1.00 . A A . 12 LEU HD11 1 1
2 482 1 1 12 LEU HD12 H -3.337 -0.195 7.139 1.00 . A A . 12 LEU HD12 1 1
2 483 1 1 12 LEU HD13 H -5.063 0.222 7.270 1.00 . A A . 12 LEU HD13 1 1
2 484 1 1 12 LEU HD21 H -2.907 2.106 5.813 1.00 . A A . 12 LEU HD21 1 1
2 485 1 1 12 LEU HD22 H -4.011 2.494 4.470 1.00 . A A . 12 LEU HD22 1 1
2 486 1 1 12 LEU HD23 H -4.635 2.436 6.122 1.00 . A A . 12 LEU HD23 1 1
2 487 1 1 12 LEU HG H -5.260 0.370 4.778 1.00 . A A . 12 LEU HG 1 1
2 488 1 1 12 LEU N N -2.568 -2.165 2.870 1.00 . A A . 12 LEU N 1 1
2 489 1 1 12 LEU O O -6.012 -1.980 3.485 1.00 . A A . 12 LEU O 1 1
2 490 1 1 13 GLU C C -6.720 -2.100 0.586 1.00 . A A . 13 GLU C 1 1
2 491 1 1 13 GLU CA C -6.138 -0.771 1.011 1.00 . A A . 13 GLU CA 1 1
2 492 1 1 13 GLU CB C -5.780 0.106 -0.221 1.00 . A A . 13 GLU CB 1 1
2 493 1 1 13 GLU CD C -4.352 2.319 -0.590 1.00 . A A . 13 GLU CD 1 1
2 494 1 1 13 GLU CG C -5.578 1.638 0.024 1.00 . A A . 13 GLU CG 1 1
2 495 1 1 13 GLU H H -3.967 -0.697 1.446 1.00 . A A . 13 GLU H 1 1
2 496 1 1 13 GLU HA H -6.890 -0.250 1.631 1.00 . A A . 13 GLU HA 1 1
2 497 1 1 13 GLU HB2 H -4.861 -0.297 -0.689 1.00 . A A . 13 GLU HB2 1 1
2 498 1 1 13 GLU HB3 H -6.560 -0.034 -0.995 1.00 . A A . 13 GLU HB3 1 1
2 499 1 1 13 GLU HG2 H -6.464 2.191 -0.340 1.00 . A A . 13 GLU HG2 1 1
2 500 1 1 13 GLU HG3 H -5.553 1.849 1.110 1.00 . A A . 13 GLU HG3 1 1
2 501 1 1 13 GLU N N -4.929 -0.973 1.805 1.00 . A A . 13 GLU N 1 1
2 502 1 1 13 GLU O O -7.910 -2.394 0.763 1.00 . A A . 13 GLU O 1 1
2 503 1 1 13 GLU OE1 O -3.729 1.845 -1.530 1.00 . A A . 13 GLU OE1 1 1
2 504 1 1 13 GLU OE2 O -4.022 3.496 0.009 1.00 . A A . 13 GLU OE2 1 1
2 505 1 1 14 ASP C C -6.876 -5.028 0.801 1.00 . A A . 14 ASP C 1 1
2 506 1 1 14 ASP CA C -6.239 -4.297 -0.360 1.00 . A A . 14 ASP CA 1 1
2 507 1 1 14 ASP CB C -4.992 -5.050 -0.904 1.00 . A A . 14 ASP CB 1 1
2 508 1 1 14 ASP CG C -4.893 -5.208 -2.428 1.00 . A A . 14 ASP CG 1 1
2 509 1 1 14 ASP H H -4.927 -2.510 -0.266 1.00 . A A . 14 ASP H 1 1
2 510 1 1 14 ASP HA H -7.004 -4.250 -1.154 1.00 . A A . 14 ASP HA 1 1
2 511 1 1 14 ASP HB2 H -4.058 -4.575 -0.559 1.00 . A A . 14 ASP HB2 1 1
2 512 1 1 14 ASP HB3 H -4.977 -6.064 -0.461 1.00 . A A . 14 ASP HB3 1 1
2 513 1 1 14 ASP N N -5.879 -2.926 -0.012 1.00 . A A . 14 ASP N 1 1
2 514 1 1 14 ASP O O -7.678 -5.962 0.614 1.00 . A A . 14 ASP O 1 1
2 515 1 1 14 ASP OD1 O -4.760 -4.012 -3.078 1.00 . A A . 14 ASP OD1 1 1
2 516 1 1 14 ASP OD2 O -4.953 -6.291 -2.992 1.00 . A A . 14 ASP OD2 1 1
2 517 1 1 15 LYS C C -8.513 -5.419 3.233 1.00 . A A . 15 LYS C 1 1
2 518 1 1 15 LYS CA C -7.004 -5.340 3.210 1.00 . A A . 15 LYS CA 1 1
2 519 1 1 15 LYS CB C -6.460 -4.617 4.480 1.00 . A A . 15 LYS CB 1 1
2 520 1 1 15 LYS CD C -7.068 -3.014 6.433 1.00 . A A . 15 LYS CD 1 1
2 521 1 1 15 LYS CE C -6.268 -4.022 7.269 1.00 . A A . 15 LYS CE 1 1
2 522 1 1 15 LYS CG C -7.507 -3.677 5.125 1.00 . A A . 15 LYS CG 1 1
2 523 1 1 15 LYS H H -5.919 -3.780 2.077 1.00 . A A . 15 LYS H 1 1
2 524 1 1 15 LYS HA H -6.621 -6.375 3.203 1.00 . A A . 15 LYS HA 1 1
2 525 1 1 15 LYS HB2 H -6.136 -5.366 5.223 1.00 . A A . 15 LYS HB2 1 1
2 526 1 1 15 LYS HB3 H -5.549 -4.047 4.220 1.00 . A A . 15 LYS HB3 1 1
2 527 1 1 15 LYS HD2 H -6.471 -2.108 6.212 1.00 . A A . 15 LYS HD2 1 1
2 528 1 1 15 LYS HD3 H -7.959 -2.670 6.998 1.00 . A A . 15 LYS HD3 1 1
2 529 1 1 15 LYS HE2 H -6.562 -5.061 7.011 1.00 . A A . 15 LYS HE2 1 1
2 530 1 1 15 LYS HE3 H -5.182 -3.952 7.048 1.00 . A A . 15 LYS HE3 1 1
2 531 1 1 15 LYS HG2 H -7.762 -2.853 4.429 1.00 . A A . 15 LYS HG2 1 1
2 532 1 1 15 LYS HG3 H -8.456 -4.230 5.282 1.00 . A A . 15 LYS HG3 1 1
2 533 1 1 15 LYS HZ1 H -7.440 -3.367 8.832 1.00 . A A . 15 LYS HZ1 1 1
2 534 1 1 15 LYS HZ2 H -6.421 -4.646 9.227 1.00 . A A . 15 LYS HZ2 1 1
2 535 1 1 15 LYS HZ3 H -5.794 -3.096 9.047 1.00 . A A . 15 LYS HZ3 1 1
2 536 1 1 15 LYS N N -6.533 -4.646 2.016 1.00 . A A . 15 LYS N 1 1
2 537 1 1 15 LYS NZ N -6.498 -3.763 8.701 1.00 . A A . 15 LYS NZ 1 1
2 538 1 1 15 LYS O O -9.107 -6.481 3.481 1.00 . A A . 15 LYS O 1 1
2 539 1 1 16 ALA C C -11.147 -3.233 2.003 1.00 . A A . 16 ALA C 1 1
2 540 1 1 16 ALA CA C -10.622 -4.229 3.010 1.00 . A A . 16 ALA CA 1 1
2 541 1 1 16 ALA CB C -11.025 -3.884 4.455 1.00 . A A . 16 ALA CB 1 1
2 542 1 1 16 ALA H H -8.567 -3.474 2.672 1.00 . A A . 16 ALA H 1 1
2 543 1 1 16 ALA HA H -11.034 -5.218 2.738 1.00 . A A . 16 ALA HA 1 1
2 544 1 1 16 ALA HB1 H -10.665 -4.644 5.174 1.00 . A A . 16 ALA HB1 1 1
2 545 1 1 16 ALA HB2 H -10.613 -2.909 4.781 1.00 . A A . 16 ALA HB2 1 1
2 546 1 1 16 ALA HB3 H -12.122 -3.830 4.575 1.00 . A A . 16 ALA HB3 1 1
2 547 1 1 16 ALA N N -9.165 -4.304 2.962 1.00 . A A . 16 ALA N 1 1
2 548 1 1 16 ALA O O -12.017 -2.399 2.296 1.00 . A A . 16 ALA O 1 1
2 549 1 1 17 ARG C C -10.862 -3.121 -1.644 1.00 . A A . 17 ARG C 1 1
2 550 1 1 17 ARG CA C -11.094 -2.462 -0.304 1.00 . A A . 17 ARG CA 1 1
2 551 1 1 17 ARG CB C -10.362 -1.095 -0.212 1.00 . A A . 17 ARG CB 1 1
2 552 1 1 17 ARG CD C -10.157 1.196 -1.351 1.00 . A A . 17 ARG CD 1 1
2 553 1 1 17 ARG CG C -11.111 0.093 -0.873 1.00 . A A . 17 ARG CG 1 1
2 554 1 1 17 ARG CZ C -9.827 1.674 -3.783 1.00 . A A . 17 ARG CZ 1 1
2 555 1 1 17 ARG H H -9.903 -4.071 0.641 1.00 . A A . 17 ARG H 1 1
2 556 1 1 17 ARG HA H -12.184 -2.313 -0.190 1.00 . A A . 17 ARG HA 1 1
2 557 1 1 17 ARG HB2 H -10.180 -0.840 0.851 1.00 . A A . 17 ARG HB2 1 1
2 558 1 1 17 ARG HB3 H -9.348 -1.189 -0.653 1.00 . A A . 17 ARG HB3 1 1
2 559 1 1 17 ARG HD2 H -10.663 2.182 -1.327 1.00 . A A . 17 ARG HD2 1 1
2 560 1 1 17 ARG HD3 H -9.279 1.265 -0.677 1.00 . A A . 17 ARG HD3 1 1
2 561 1 1 17 ARG HE H -9.305 -0.059 -2.890 1.00 . A A . 17 ARG HE 1 1
2 562 1 1 17 ARG HG2 H -11.711 -0.248 -1.740 1.00 . A A . 17 ARG HG2 1 1
2 563 1 1 17 ARG HG3 H -11.845 0.524 -0.163 1.00 . A A . 17 ARG HG3 1 1
2 564 1 1 17 ARG HH11 H -10.641 3.144 -2.809 1.00 . A A . 17 ARG HH11 1 1
2 565 1 1 17 ARG HH12 H -10.355 3.395 -4.616 1.00 . A A . 17 ARG HH12 1 1
2 566 1 1 17 ARG HH21 H -9.028 0.284 -4.837 1.00 . A A . 17 ARG HH21 1 1
2 567 1 1 17 ARG HH22 H -9.479 1.843 -5.723 1.00 . A A . 17 ARG HH22 1 1
2 568 1 1 17 ARG N N -10.639 -3.317 0.788 1.00 . A A . 17 ARG N 1 1
2 569 1 1 17 ARG NE N -9.722 0.870 -2.734 1.00 . A A . 17 ARG NE 1 1
2 570 1 1 17 ARG NH1 N -10.329 2.872 -3.742 1.00 . A A . 17 ARG NH1 1 1
2 571 1 1 17 ARG NH2 N -9.401 1.232 -4.913 1.00 . A A . 17 ARG NH2 1 1
2 572 1 1 17 ARG O O -10.573 -2.466 -2.655 1.00 . A A . 17 ARG O 1 1
2 573 1 1 18 GLU C C -9.468 -4.818 -3.555 1.00 . A A . 18 GLU C 1 1
2 574 1 1 18 GLU CA C -10.751 -5.233 -2.871 1.00 . A A . 18 GLU CA 1 1
2 575 1 1 18 GLU CB C -11.981 -5.098 -3.814 1.00 . A A . 18 GLU CB 1 1
2 576 1 1 18 GLU CD C -14.363 -4.000 -4.247 1.00 . A A . 18 GLU CD 1 1
2 577 1 1 18 GLU CG C -13.069 -4.039 -3.431 1.00 . A A . 18 GLU CG 1 1
2 578 1 1 18 GLU H H -11.379 -4.879 -0.780 1.00 . A A . 18 GLU H 1 1
2 579 1 1 18 GLU HA H -10.634 -6.290 -2.564 1.00 . A A . 18 GLU HA 1 1
2 580 1 1 18 GLU HB2 H -11.628 -4.877 -4.840 1.00 . A A . 18 GLU HB2 1 1
2 581 1 1 18 GLU HB3 H -12.466 -6.090 -3.902 1.00 . A A . 18 GLU HB3 1 1
2 582 1 1 18 GLU HG2 H -13.363 -4.163 -2.372 1.00 . A A . 18 GLU HG2 1 1
2 583 1 1 18 GLU HG3 H -12.634 -3.023 -3.475 1.00 . A A . 18 GLU HG3 1 1
2 584 1 1 18 GLU N N -11.010 -4.432 -1.676 1.00 . A A . 18 GLU N 1 1
2 585 1 1 18 GLU O O -8.545 -4.203 -2.933 1.00 . A A . 18 GLU O 1 1
2 586 1 1 18 GLU OXT O -9.359 -5.124 -4.782 1.00 . A A . 18 GLU OXT 1 1
2 587 1 1 18 GLU OE1 O -15.334 -4.700 -3.990 1.00 . A A . 18 GLU OE1 1 1
2 588 1 1 18 GLU OE2 O -14.333 -3.114 -5.281 1.00 . A A . 18 GLU OE2 1 1
3 589 1 1 1 ALA C C 10.564 6.090 -4.003 1.00 . A A . 1 ALA C 1 1
3 590 1 1 1 ALA CA C 11.599 6.128 -5.103 1.00 . A A . 1 ALA CA 1 1
3 591 1 1 1 ALA CB C 12.711 7.158 -4.839 1.00 . A A . 1 ALA CB 1 1
3 592 1 1 1 ALA H1 H 10.241 7.153 -6.244 1.00 . A A . 1 ALA H1 1 1
3 593 1 1 1 ALA H2 H 11.701 6.845 -7.019 1.00 . A A . 1 ALA H2 1 1
3 594 1 1 1 ALA H3 H 10.586 5.605 -6.805 1.00 . A A . 1 ALA H3 1 1
3 595 1 1 1 ALA HA H 12.042 5.117 -5.171 1.00 . A A . 1 ALA HA 1 1
3 596 1 1 1 ALA HB1 H 13.480 7.145 -5.635 1.00 . A A . 1 ALA HB1 1 1
3 597 1 1 1 ALA HB2 H 12.317 8.192 -4.786 1.00 . A A . 1 ALA HB2 1 1
3 598 1 1 1 ALA HB3 H 13.237 6.961 -3.887 1.00 . A A . 1 ALA HB3 1 1
3 599 1 1 1 ALA N N 10.987 6.457 -6.387 1.00 . A A . 1 ALA N 1 1
3 600 1 1 1 ALA O O 9.368 6.336 -4.216 1.00 . A A . 1 ALA O 1 1
3 601 1 1 2 LEU C C 8.997 4.613 -2.019 1.00 . A A . 2 LEU C 1 1
3 602 1 1 2 LEU CA C 10.108 5.574 -1.666 1.00 . A A . 2 LEU CA 1 1
3 603 1 1 2 LEU CB C 9.563 6.947 -1.181 1.00 . A A . 2 LEU CB 1 1
3 604 1 1 2 LEU CD1 C 10.351 9.340 -1.713 1.00 . A A . 2 LEU CD1 1 1
3 605 1 1 2 LEU CD2 C 10.585 8.416 0.611 1.00 . A A . 2 LEU CD2 1 1
3 606 1 1 2 LEU CG C 10.596 8.069 -0.884 1.00 . A A . 2 LEU CG 1 1
3 607 1 1 2 LEU H H 12.055 5.599 -2.720 1.00 . A A . 2 LEU H 1 1
3 608 1 1 2 LEU HA H 10.678 5.095 -0.849 1.00 . A A . 2 LEU HA 1 1
3 609 1 1 2 LEU HB2 H 8.843 7.332 -1.932 1.00 . A A . 2 LEU HB2 1 1
3 610 1 1 2 LEU HB3 H 8.953 6.782 -0.271 1.00 . A A . 2 LEU HB3 1 1
3 611 1 1 2 LEU HD11 H 10.227 9.101 -2.786 1.00 . A A . 2 LEU HD11 1 1
3 612 1 1 2 LEU HD12 H 9.425 9.861 -1.407 1.00 . A A . 2 LEU HD12 1 1
3 613 1 1 2 LEU HD13 H 11.185 10.061 -1.631 1.00 . A A . 2 LEU HD13 1 1
3 614 1 1 2 LEU HD21 H 10.715 7.518 1.244 1.00 . A A . 2 LEU HD21 1 1
3 615 1 1 2 LEU HD22 H 11.388 9.127 0.883 1.00 . A A . 2 LEU HD22 1 1
3 616 1 1 2 LEU HD23 H 9.626 8.878 0.915 1.00 . A A . 2 LEU HD23 1 1
3 617 1 1 2 LEU HG H 11.609 7.681 -1.134 1.00 . A A . 2 LEU HG 1 1
3 618 1 1 2 LEU N N 11.007 5.759 -2.805 1.00 . A A . 2 LEU N 1 1
3 619 1 1 2 LEU O O 7.833 4.755 -1.620 1.00 . A A . 2 LEU O 1 1
3 620 1 1 3 ASP C C 8.036 1.557 -2.263 1.00 . A A . 3 ASP C 1 1
3 621 1 1 3 ASP CA C 8.394 2.614 -3.281 1.00 . A A . 3 ASP CA 1 1
3 622 1 1 3 ASP CB C 8.936 1.977 -4.592 1.00 . A A . 3 ASP CB 1 1
3 623 1 1 3 ASP CG C 8.051 2.113 -5.839 1.00 . A A . 3 ASP CG 1 1
3 624 1 1 3 ASP H H 10.404 3.489 -2.954 1.00 . A A . 3 ASP H 1 1
3 625 1 1 3 ASP HA H 7.465 3.178 -3.488 1.00 . A A . 3 ASP HA 1 1
3 626 1 1 3 ASP HB2 H 9.931 2.380 -4.846 1.00 . A A . 3 ASP HB2 1 1
3 627 1 1 3 ASP HB3 H 9.107 0.895 -4.427 1.00 . A A . 3 ASP HB3 1 1
3 628 1 1 3 ASP N N 9.357 3.585 -2.771 1.00 . A A . 3 ASP N 1 1
3 629 1 1 3 ASP O O 7.093 0.767 -2.463 1.00 . A A . 3 ASP O 1 1
3 630 1 1 3 ASP OD1 O 6.988 1.254 -5.832 1.00 . A A . 3 ASP OD1 1 1
3 631 1 1 3 ASP OD2 O 8.294 2.895 -6.747 1.00 . A A . 3 ASP OD2 1 1
3 632 1 1 4 LYS C C 7.329 1.108 0.776 1.00 . A A . 4 LYS C 1 1
3 633 1 1 4 LYS CA C 8.451 0.569 -0.079 1.00 . A A . 4 LYS CA 1 1
3 634 1 1 4 LYS CB C 9.732 0.326 0.767 1.00 . A A . 4 LYS CB 1 1
3 635 1 1 4 LYS CD C 10.170 -2.210 1.128 1.00 . A A . 4 LYS CD 1 1
3 636 1 1 4 LYS CE C 10.966 -3.390 0.554 1.00 . A A . 4 LYS CE 1 1
3 637 1 1 4 LYS CG C 10.518 -0.940 0.345 1.00 . A A . 4 LYS CG 1 1
3 638 1 1 4 LYS H H 9.591 2.159 -1.108 1.00 . A A . 4 LYS H 1 1
3 639 1 1 4 LYS HA H 8.107 -0.388 -0.514 1.00 . A A . 4 LYS HA 1 1
3 640 1 1 4 LYS HB2 H 10.400 1.207 0.692 1.00 . A A . 4 LYS HB2 1 1
3 641 1 1 4 LYS HB3 H 9.460 0.267 1.841 1.00 . A A . 4 LYS HB3 1 1
3 642 1 1 4 LYS HD2 H 10.388 -2.059 2.203 1.00 . A A . 4 LYS HD2 1 1
3 643 1 1 4 LYS HD3 H 9.082 -2.409 1.054 1.00 . A A . 4 LYS HD3 1 1
3 644 1 1 4 LYS HE2 H 12.053 -3.245 0.726 1.00 . A A . 4 LYS HE2 1 1
3 645 1 1 4 LYS HE3 H 10.703 -4.338 1.068 1.00 . A A . 4 LYS HE3 1 1
3 646 1 1 4 LYS HG2 H 10.328 -1.170 -0.720 1.00 . A A . 4 LYS HG2 1 1
3 647 1 1 4 LYS HG3 H 11.606 -0.741 0.415 1.00 . A A . 4 LYS HG3 1 1
3 648 1 1 4 LYS HZ1 H 9.673 -3.423 -1.050 1.00 . A A . 4 LYS HZ1 1 1
3 649 1 1 4 LYS HZ2 H 11.184 -2.774 -1.400 1.00 . A A . 4 LYS HZ2 1 1
3 650 1 1 4 LYS HZ3 H 11.004 -4.436 -1.220 1.00 . A A . 4 LYS HZ3 1 1
3 651 1 1 4 LYS N N 8.769 1.488 -1.169 1.00 . A A . 4 LYS N 1 1
3 652 1 1 4 LYS NZ N 10.686 -3.515 -0.887 1.00 . A A . 4 LYS NZ 1 1
3 653 1 1 4 LYS O O 6.520 0.360 1.345 1.00 . A A . 4 LYS O 1 1
3 654 1 1 5 LEU C C 4.977 3.300 0.952 1.00 . A A . 5 LEU C 1 1
3 655 1 1 5 LEU CA C 6.256 3.076 1.722 1.00 . A A . 5 LEU CA 1 1
3 656 1 1 5 LEU CB C 6.802 4.418 2.289 1.00 . A A . 5 LEU CB 1 1
3 657 1 1 5 LEU CD1 C 6.597 3.501 4.639 1.00 . A A . 5 LEU CD1 1 1
3 658 1 1 5 LEU CD2 C 8.889 3.975 3.726 1.00 . A A . 5 LEU CD2 1 1
3 659 1 1 5 LEU CG C 7.416 4.414 3.715 1.00 . A A . 5 LEU CG 1 1
3 660 1 1 5 LEU H H 8.025 2.974 0.392 1.00 . A A . 5 LEU H 1 1
3 661 1 1 5 LEU HA H 5.999 2.400 2.558 1.00 . A A . 5 LEU HA 1 1
3 662 1 1 5 LEU HB2 H 7.564 4.816 1.588 1.00 . A A . 5 LEU HB2 1 1
3 663 1 1 5 LEU HB3 H 5.986 5.167 2.265 1.00 . A A . 5 LEU HB3 1 1
3 664 1 1 5 LEU HD11 H 5.537 3.813 4.691 1.00 . A A . 5 LEU HD11 1 1
3 665 1 1 5 LEU HD12 H 6.612 2.446 4.307 1.00 . A A . 5 LEU HD12 1 1
3 666 1 1 5 LEU HD13 H 6.982 3.521 5.676 1.00 . A A . 5 LEU HD13 1 1
3 667 1 1 5 LEU HD21 H 9.034 2.980 3.265 1.00 . A A . 5 LEU HD21 1 1
3 668 1 1 5 LEU HD22 H 9.525 4.690 3.171 1.00 . A A . 5 LEU HD22 1 1
3 669 1 1 5 LEU HD23 H 9.301 3.933 4.751 1.00 . A A . 5 LEU HD23 1 1
3 670 1 1 5 LEU HG H 7.358 5.446 4.118 1.00 . A A . 5 LEU HG 1 1
3 671 1 1 5 LEU N N 7.270 2.421 0.898 1.00 . A A . 5 LEU N 1 1
3 672 1 1 5 LEU O O 3.873 3.347 1.517 1.00 . A A . 5 LEU O 1 1
3 673 1 1 6 LYS C C 3.215 2.360 -1.475 1.00 . A A . 6 LYS C 1 1
3 674 1 1 6 LYS CA C 3.934 3.661 -1.216 1.00 . A A . 6 LYS CA 1 1
3 675 1 1 6 LYS CB C 4.402 4.325 -2.542 1.00 . A A . 6 LYS CB 1 1
3 676 1 1 6 LYS CD C 6.131 6.062 -3.402 1.00 . A A . 6 LYS CD 1 1
3 677 1 1 6 LYS CE C 5.637 7.315 -4.135 1.00 . A A . 6 LYS CE 1 1
3 678 1 1 6 LYS CG C 5.120 5.680 -2.317 1.00 . A A . 6 LYS CG 1 1
3 679 1 1 6 LYS H H 6.088 3.503 -0.734 1.00 . A A . 6 LYS H 1 1
3 680 1 1 6 LYS HA H 3.225 4.331 -0.694 1.00 . A A . 6 LYS HA 1 1
3 681 1 1 6 LYS HB2 H 5.085 3.640 -3.079 1.00 . A A . 6 LYS HB2 1 1
3 682 1 1 6 LYS HB3 H 3.536 4.461 -3.222 1.00 . A A . 6 LYS HB3 1 1
3 683 1 1 6 LYS HD2 H 7.126 6.226 -2.944 1.00 . A A . 6 LYS HD2 1 1
3 684 1 1 6 LYS HD3 H 6.250 5.222 -4.116 1.00 . A A . 6 LYS HD3 1 1
3 685 1 1 6 LYS HE2 H 4.537 7.422 -4.024 1.00 . A A . 6 LYS HE2 1 1
3 686 1 1 6 LYS HE3 H 6.075 8.235 -3.696 1.00 . A A . 6 LYS HE3 1 1
3 687 1 1 6 LYS HG2 H 4.380 6.501 -2.273 1.00 . A A . 6 LYS HG2 1 1
3 688 1 1 6 LYS HG3 H 5.614 5.676 -1.325 1.00 . A A . 6 LYS HG3 1 1
3 689 1 1 6 LYS HZ1 H 5.844 6.264 -5.896 1.00 . A A . 6 LYS HZ1 1 1
3 690 1 1 6 LYS HZ2 H 5.423 7.879 -6.105 1.00 . A A . 6 LYS HZ2 1 1
3 691 1 1 6 LYS HZ3 H 6.996 7.469 -5.676 1.00 . A A . 6 LYS HZ3 1 1
3 692 1 1 6 LYS N N 5.097 3.468 -0.351 1.00 . A A . 6 LYS N 1 1
3 693 1 1 6 LYS NZ N 6.002 7.225 -5.560 1.00 . A A . 6 LYS NZ 1 1
3 694 1 1 6 LYS O O 1.977 2.277 -1.441 1.00 . A A . 6 LYS O 1 1
3 695 1 1 7 GLU C C 2.809 -0.513 -0.608 1.00 . A A . 7 GLU C 1 1
3 696 1 1 7 GLU CA C 3.415 -0.024 -1.903 1.00 . A A . 7 GLU CA 1 1
3 697 1 1 7 GLU CB C 4.542 -0.976 -2.391 1.00 . A A . 7 GLU CB 1 1
3 698 1 1 7 GLU CD C 3.761 -0.721 -4.920 1.00 . A A . 7 GLU CD 1 1
3 699 1 1 7 GLU CG C 4.893 -0.950 -3.916 1.00 . A A . 7 GLU CG 1 1
3 700 1 1 7 GLU H H 5.018 1.509 -1.831 1.00 . A A . 7 GLU H 1 1
3 701 1 1 7 GLU HA H 2.607 0.012 -2.658 1.00 . A A . 7 GLU HA 1 1
3 702 1 1 7 GLU HB2 H 5.464 -0.758 -1.818 1.00 . A A . 7 GLU HB2 1 1
3 703 1 1 7 GLU HB3 H 4.282 -2.012 -2.100 1.00 . A A . 7 GLU HB3 1 1
3 704 1 1 7 GLU HG2 H 5.652 -0.169 -4.109 1.00 . A A . 7 GLU HG2 1 1
3 705 1 1 7 GLU HG3 H 5.393 -1.893 -4.208 1.00 . A A . 7 GLU HG3 1 1
3 706 1 1 7 GLU N N 3.974 1.318 -1.757 1.00 . A A . 7 GLU N 1 1
3 707 1 1 7 GLU O O 1.942 -1.404 -0.592 1.00 . A A . 7 GLU O 1 1
3 708 1 1 7 GLU OE1 O 3.156 -1.868 -5.336 1.00 . A A . 7 GLU OE1 1 1
3 709 1 1 7 GLU OE2 O 3.432 0.391 -5.311 1.00 . A A . 7 GLU OE2 1 1
3 710 1 1 8 PHE C C 1.281 0.086 1.964 1.00 . A A . 8 PHE C 1 1
3 711 1 1 8 PHE CA C 2.728 -0.321 1.820 1.00 . A A . 8 PHE CA 1 1
3 712 1 1 8 PHE CB C 3.556 0.388 2.936 1.00 . A A . 8 PHE CB 1 1
3 713 1 1 8 PHE CD1 C 2.200 -0.878 4.695 1.00 . A A . 8 PHE CD1 1 1
3 714 1 1 8 PHE CD2 C 3.800 0.778 5.429 1.00 . A A . 8 PHE CD2 1 1
3 715 1 1 8 PHE CE1 C 1.831 -1.102 6.019 1.00 . A A . 8 PHE CE1 1 1
3 716 1 1 8 PHE CE2 C 3.430 0.554 6.751 1.00 . A A . 8 PHE CE2 1 1
3 717 1 1 8 PHE CG C 3.184 0.066 4.391 1.00 . A A . 8 PHE CG 1 1
3 718 1 1 8 PHE CZ C 2.446 -0.387 7.046 1.00 . A A . 8 PHE CZ 1 1
3 719 1 1 8 PHE H H 4.023 0.767 0.389 1.00 . A A . 8 PHE H 1 1
3 720 1 1 8 PHE HA H 2.793 -1.418 1.941 1.00 . A A . 8 PHE HA 1 1
3 721 1 1 8 PHE HB2 H 4.634 0.172 2.785 1.00 . A A . 8 PHE HB2 1 1
3 722 1 1 8 PHE HB3 H 3.491 1.485 2.793 1.00 . A A . 8 PHE HB3 1 1
3 723 1 1 8 PHE HD1 H 1.733 -1.449 3.906 1.00 . A A . 8 PHE HD1 1 1
3 724 1 1 8 PHE HD2 H 4.592 1.482 5.210 1.00 . A A . 8 PHE HD2 1 1
3 725 1 1 8 PHE HE1 H 1.069 -1.832 6.249 1.00 . A A . 8 PHE HE1 1 1
3 726 1 1 8 PHE HE2 H 3.905 1.115 7.543 1.00 . A A . 8 PHE HE2 1 1
3 727 1 1 8 PHE HZ H 2.164 -0.563 8.073 1.00 . A A . 8 PHE HZ 1 1
3 728 1 1 8 PHE N N 3.251 0.042 0.505 1.00 . A A . 8 PHE N 1 1
3 729 1 1 8 PHE O O 0.447 -0.634 2.530 1.00 . A A . 8 PHE O 1 1
3 730 1 1 9 GLY C C -1.342 1.060 0.618 1.00 . A A . 9 GLY C 1 1
3 731 1 1 9 GLY CA C -0.394 1.800 1.532 1.00 . A A . 9 GLY CA 1 1
3 732 1 1 9 GLY H H 1.774 1.843 1.084 1.00 . A A . 9 GLY H 1 1
3 733 1 1 9 GLY HA2 H -0.775 1.736 2.571 1.00 . A A . 9 GLY HA2 1 1
3 734 1 1 9 GLY HA3 H -0.402 2.874 1.260 1.00 . A A . 9 GLY HA3 1 1
3 735 1 1 9 GLY N N 0.966 1.273 1.476 1.00 . A A . 9 GLY N 1 1
3 736 1 1 9 GLY O O -2.573 1.113 0.785 1.00 . A A . 9 GLY O 1 1
3 737 1 1 10 ASN C C -2.001 -1.772 -0.621 1.00 . A A . 10 ASN C 1 1
3 738 1 1 10 ASN CA C -1.608 -0.464 -1.266 1.00 . A A . 10 ASN CA 1 1
3 739 1 1 10 ASN CB C -0.800 -0.723 -2.574 1.00 . A A . 10 ASN CB 1 1
3 740 1 1 10 ASN CG C -1.534 -1.416 -3.726 1.00 . A A . 10 ASN CG 1 1
3 741 1 1 10 ASN H H 0.236 0.516 -0.529 1.00 . A A . 10 ASN H 1 1
3 742 1 1 10 ASN HA H -2.550 0.072 -1.497 1.00 . A A . 10 ASN HA 1 1
3 743 1 1 10 ASN HB2 H -0.424 0.243 -2.966 1.00 . A A . 10 ASN HB2 1 1
3 744 1 1 10 ASN HB3 H 0.117 -1.298 -2.345 1.00 . A A . 10 ASN HB3 1 1
3 745 1 1 10 ASN HD21 H 0.143 -1.568 -4.786 1.00 . A A . 10 ASN HD21 1 1
3 746 1 1 10 ASN HD22 H -1.441 -2.187 -5.507 1.00 . A A . 10 ASN HD22 1 1
3 747 1 1 10 ASN N N -0.809 0.380 -0.379 1.00 . A A . 10 ASN N 1 1
3 748 1 1 10 ASN ND2 N -0.847 -1.813 -4.763 1.00 . A A . 10 ASN ND2 1 1
3 749 1 1 10 ASN O O -2.918 -2.470 -1.086 1.00 . A A . 10 ASN O 1 1
3 750 1 1 10 ASN OD1 O -2.741 -1.610 -3.708 1.00 . A A . 10 ASN OD1 1 1
3 751 1 1 11 THR C C -2.845 -2.994 2.141 1.00 . A A . 11 THR C 1 1
3 752 1 1 11 THR CA C -1.680 -3.319 1.233 1.00 . A A . 11 THR CA 1 1
3 753 1 1 11 THR CB C -0.456 -3.807 2.079 1.00 . A A . 11 THR CB 1 1
3 754 1 1 11 THR CG2 C -0.789 -4.532 3.403 1.00 . A A . 11 THR CG2 1 1
3 755 1 1 11 THR H H -0.442 -1.579 0.656 1.00 . A A . 11 THR H 1 1
3 756 1 1 11 THR HA H -2.004 -4.132 0.557 1.00 . A A . 11 THR HA 1 1
3 757 1 1 11 THR HB H 0.174 -2.922 2.316 1.00 . A A . 11 THR HB 1 1
3 758 1 1 11 THR HG1 H 1.087 -4.944 1.898 1.00 . A A . 11 THR HG1 1 1
3 759 1 1 11 THR HG21 H -1.415 -5.428 3.234 1.00 . A A . 11 THR HG21 1 1
3 760 1 1 11 THR HG22 H 0.120 -4.862 3.936 1.00 . A A . 11 THR HG22 1 1
3 761 1 1 11 THR HG23 H -1.335 -3.883 4.114 1.00 . A A . 11 THR HG23 1 1
3 762 1 1 11 THR N N -1.312 -2.152 0.436 1.00 . A A . 11 THR N 1 1
3 763 1 1 11 THR O O -3.823 -3.744 2.259 1.00 . A A . 11 THR O 1 1
3 764 1 1 11 THR OG1 O 0.323 -4.745 1.349 1.00 . A A . 11 THR OG1 1 1
3 765 1 1 12 LEU C C -5.127 -1.267 2.907 1.00 . A A . 12 LEU C 1 1
3 766 1 1 12 LEU CA C -3.817 -1.349 3.659 1.00 . A A . 12 LEU CA 1 1
3 767 1 1 12 LEU CB C -3.427 0.049 4.227 1.00 . A A . 12 LEU CB 1 1
3 768 1 1 12 LEU CD1 C -3.833 1.177 6.456 1.00 . A A . 12 LEU CD1 1 1
3 769 1 1 12 LEU CD2 C -5.027 2.054 4.427 1.00 . A A . 12 LEU CD2 1 1
3 770 1 1 12 LEU CG C -4.463 0.796 5.110 1.00 . A A . 12 LEU CG 1 1
3 771 1 1 12 LEU H H -1.780 -1.393 2.780 1.00 . A A . 12 LEU H 1 1
3 772 1 1 12 LEU HA H -3.989 -2.058 4.490 1.00 . A A . 12 LEU HA 1 1
3 773 1 1 12 LEU HB2 H -2.488 -0.054 4.808 1.00 . A A . 12 LEU HB2 1 1
3 774 1 1 12 LEU HB3 H -3.154 0.704 3.376 1.00 . A A . 12 LEU HB3 1 1
3 775 1 1 12 LEU HD11 H -3.453 0.291 6.999 1.00 . A A . 12 LEU HD11 1 1
3 776 1 1 12 LEU HD12 H -2.984 1.877 6.340 1.00 . A A . 12 LEU HD12 1 1
3 777 1 1 12 LEU HD13 H -4.566 1.665 7.126 1.00 . A A . 12 LEU HD13 1 1
3 778 1 1 12 LEU HD21 H -4.231 2.760 4.125 1.00 . A A . 12 LEU HD21 1 1
3 779 1 1 12 LEU HD22 H -5.598 1.794 3.517 1.00 . A A . 12 LEU HD22 1 1
3 780 1 1 12 LEU HD23 H -5.729 2.600 5.083 1.00 . A A . 12 LEU HD23 1 1
3 781 1 1 12 LEU HG H -5.307 0.104 5.313 1.00 . A A . 12 LEU HG 1 1
3 782 1 1 12 LEU N N -2.737 -1.872 2.828 1.00 . A A . 12 LEU N 1 1
3 783 1 1 12 LEU O O -6.186 -1.691 3.395 1.00 . A A . 12 LEU O 1 1
3 784 1 1 13 GLU C C -6.867 -1.802 0.464 1.00 . A A . 13 GLU C 1 1
3 785 1 1 13 GLU CA C -6.287 -0.481 0.915 1.00 . A A . 13 GLU CA 1 1
3 786 1 1 13 GLU CB C -5.915 0.414 -0.300 1.00 . A A . 13 GLU CB 1 1
3 787 1 1 13 GLU CD C -4.454 2.614 -0.615 1.00 . A A . 13 GLU CD 1 1
3 788 1 1 13 GLU CG C -5.694 1.939 -0.025 1.00 . A A . 13 GLU CG 1 1
3 789 1 1 13 GLU H H -4.118 -0.441 1.359 1.00 . A A . 13 GLU H 1 1
3 790 1 1 13 GLU HA H -7.044 0.033 1.536 1.00 . A A . 13 GLU HA 1 1
3 791 1 1 13 GLU HB2 H -5.000 0.009 -0.773 1.00 . A A . 13 GLU HB2 1 1
3 792 1 1 13 GLU HB3 H -6.696 0.298 -1.077 1.00 . A A . 13 GLU HB3 1 1
3 793 1 1 13 GLU HG2 H -6.569 2.511 -0.387 1.00 . A A . 13 GLU HG2 1 1
3 794 1 1 13 GLU HG3 H -5.677 2.128 1.065 1.00 . A A . 13 GLU HG3 1 1
3 795 1 1 13 GLU N N -5.085 -0.697 1.718 1.00 . A A . 13 GLU N 1 1
3 796 1 1 13 GLU O O -8.074 -2.064 0.552 1.00 . A A . 13 GLU O 1 1
3 797 1 1 13 GLU OE1 O -3.793 2.118 -1.518 1.00 . A A . 13 GLU OE1 1 1
3 798 1 1 13 GLU OE2 O -4.158 3.814 -0.043 1.00 . A A . 13 GLU OE2 1 1
3 799 1 1 14 ASP C C -7.015 -4.756 0.739 1.00 . A A . 14 ASP C 1 1
3 800 1 1 14 ASP CA C -6.371 -4.022 -0.416 1.00 . A A . 14 ASP CA 1 1
3 801 1 1 14 ASP CB C -5.126 -4.780 -0.960 1.00 . A A . 14 ASP CB 1 1
3 802 1 1 14 ASP CG C -5.022 -4.937 -2.483 1.00 . A A . 14 ASP CG 1 1
3 803 1 1 14 ASP H H -5.026 -2.263 -0.247 1.00 . A A . 14 ASP H 1 1
3 804 1 1 14 ASP HA H -7.134 -3.967 -1.212 1.00 . A A . 14 ASP HA 1 1
3 805 1 1 14 ASP HB2 H -4.191 -4.310 -0.611 1.00 . A A . 14 ASP HB2 1 1
3 806 1 1 14 ASP HB3 H -5.117 -5.795 -0.520 1.00 . A A . 14 ASP HB3 1 1
3 807 1 1 14 ASP N N -6.005 -2.655 -0.059 1.00 . A A . 14 ASP N 1 1
3 808 1 1 14 ASP O O -7.822 -5.684 0.544 1.00 . A A . 14 ASP O 1 1
3 809 1 1 14 ASP OD1 O -5.672 -6.048 -2.947 1.00 . A A . 14 ASP OD1 1 1
3 810 1 1 14 ASP OD2 O -4.437 -4.138 -3.199 1.00 . A A . 14 ASP OD2 1 1
3 811 1 1 15 LYS C C -8.624 -4.874 3.386 1.00 . A A . 15 LYS C 1 1
3 812 1 1 15 LYS CA C -7.146 -5.072 3.150 1.00 . A A . 15 LYS CA 1 1
3 813 1 1 15 LYS CB C -6.317 -4.592 4.380 1.00 . A A . 15 LYS CB 1 1
3 814 1 1 15 LYS CD C -6.614 -3.614 6.769 1.00 . A A . 15 LYS CD 1 1
3 815 1 1 15 LYS CE C -5.778 -4.865 7.068 1.00 . A A . 15 LYS CE 1 1
3 816 1 1 15 LYS CG C -7.143 -3.691 5.335 1.00 . A A . 15 LYS CG 1 1
3 817 1 1 15 LYS H H -6.057 -3.517 2.023 1.00 . A A . 15 LYS H 1 1
3 818 1 1 15 LYS HA H -6.973 -6.151 3.001 1.00 . A A . 15 LYS HA 1 1
3 819 1 1 15 LYS HB2 H -5.941 -5.465 4.939 1.00 . A A . 15 LYS HB2 1 1
3 820 1 1 15 LYS HB3 H -5.418 -4.051 4.034 1.00 . A A . 15 LYS HB3 1 1
3 821 1 1 15 LYS HD2 H -6.019 -2.689 6.901 1.00 . A A . 15 LYS HD2 1 1
3 822 1 1 15 LYS HD3 H -7.463 -3.542 7.480 1.00 . A A . 15 LYS HD3 1 1
3 823 1 1 15 LYS HE2 H -4.895 -4.911 6.397 1.00 . A A . 15 LYS HE2 1 1
3 824 1 1 15 LYS HE3 H -5.371 -4.839 8.100 1.00 . A A . 15 LYS HE3 1 1
3 825 1 1 15 LYS HG2 H -7.165 -2.652 4.954 1.00 . A A . 15 LYS HG2 1 1
3 826 1 1 15 LYS HG3 H -8.199 -4.026 5.338 1.00 . A A . 15 LYS HG3 1 1
3 827 1 1 15 LYS HZ1 H -7.601 -5.826 7.078 1.00 . A A . 15 LYS HZ1 1 1
3 828 1 1 15 LYS HZ2 H -6.519 -6.419 5.935 1.00 . A A . 15 LYS HZ2 1 1
3 829 1 1 15 LYS HZ3 H -6.312 -6.793 7.562 1.00 . A A . 15 LYS HZ3 1 1
3 830 1 1 15 LYS N N -6.694 -4.365 1.956 1.00 . A A . 15 LYS N 1 1
3 831 1 1 15 LYS NZ N -6.615 -6.066 6.898 1.00 . A A . 15 LYS NZ 1 1
3 832 1 1 15 LYS O O -9.337 -5.773 3.860 1.00 . A A . 15 LYS O 1 1
3 833 1 1 16 ALA C C -11.086 -2.622 2.072 1.00 . A A . 16 ALA C 1 1
3 834 1 1 16 ALA CA C -10.522 -3.356 3.267 1.00 . A A . 16 ALA CA 1 1
3 835 1 1 16 ALA CB C -10.621 -2.543 4.569 1.00 . A A . 16 ALA CB 1 1
3 836 1 1 16 ALA H H -8.442 -3.018 2.594 1.00 . A A . 16 ALA H 1 1
3 837 1 1 16 ALA HA H -11.094 -4.297 3.370 1.00 . A A . 16 ALA HA 1 1
3 838 1 1 16 ALA HB1 H -10.240 -3.110 5.439 1.00 . A A . 16 ALA HB1 1 1
3 839 1 1 16 ALA HB2 H -10.041 -1.601 4.517 1.00 . A A . 16 ALA HB2 1 1
3 840 1 1 16 ALA HB3 H -11.666 -2.267 4.804 1.00 . A A . 16 ALA HB3 1 1
3 841 1 1 16 ALA N N -9.117 -3.695 3.058 1.00 . A A . 16 ALA N 1 1
3 842 1 1 16 ALA O O -11.840 -1.647 2.191 1.00 . A A . 16 ALA O 1 1
3 843 1 1 17 ARG C C -11.364 -3.649 -1.412 1.00 . A A . 17 ARG C 1 1
3 844 1 1 17 ARG CA C -11.294 -2.574 -0.354 1.00 . A A . 17 ARG CA 1 1
3 845 1 1 17 ARG CB C -10.433 -1.370 -0.826 1.00 . A A . 17 ARG CB 1 1
3 846 1 1 17 ARG CD C -10.672 -0.427 -3.202 1.00 . A A . 17 ARG CD 1 1
3 847 1 1 17 ARG CG C -11.168 -0.363 -1.751 1.00 . A A . 17 ARG CG 1 1
3 848 1 1 17 ARG CZ C -8.526 0.730 -3.758 1.00 . A A . 17 ARG CZ 1 1
3 849 1 1 17 ARG H H -10.055 -3.913 0.898 1.00 . A A . 17 ARG H 1 1
3 850 1 1 17 ARG HA H -12.328 -2.239 -0.149 1.00 . A A . 17 ARG HA 1 1
3 851 1 1 17 ARG HB2 H -10.052 -0.815 0.054 1.00 . A A . 17 ARG HB2 1 1
3 852 1 1 17 ARG HB3 H -9.521 -1.746 -1.334 1.00 . A A . 17 ARG HB3 1 1
3 853 1 1 17 ARG HD2 H -10.099 -1.361 -3.374 1.00 . A A . 17 ARG HD2 1 1
3 854 1 1 17 ARG HD3 H -11.532 -0.442 -3.902 1.00 . A A . 17 ARG HD3 1 1
3 855 1 1 17 ARG HE H -10.266 1.686 -3.395 1.00 . A A . 17 ARG HE 1 1
3 856 1 1 17 ARG HG2 H -12.261 -0.546 -1.749 1.00 . A A . 17 ARG HG2 1 1
3 857 1 1 17 ARG HG3 H -11.046 0.669 -1.365 1.00 . A A . 17 ARG HG3 1 1
3 858 1 1 17 ARG HH11 H -8.371 -1.206 -3.709 1.00 . A A . 17 ARG HH11 1 1
3 859 1 1 17 ARG HH12 H -6.840 -0.255 -4.107 1.00 . A A . 17 ARG HH12 1 1
3 860 1 1 17 ARG HH21 H -8.572 2.646 -3.835 1.00 . A A . 17 ARG HH21 1 1
3 861 1 1 17 ARG HH22 H -6.943 1.839 -4.177 1.00 . A A . 17 ARG HH22 1 1
3 862 1 1 17 ARG N N -10.738 -3.098 0.891 1.00 . A A . 17 ARG N 1 1
3 863 1 1 17 ARG NE N -9.818 0.761 -3.457 1.00 . A A . 17 ARG NE 1 1
3 864 1 1 17 ARG NH1 N -7.825 -0.359 -3.872 1.00 . A A . 17 ARG NH1 1 1
3 865 1 1 17 ARG NH2 N -7.934 1.855 -3.948 1.00 . A A . 17 ARG NH2 1 1
3 866 1 1 17 ARG O O -11.285 -3.385 -2.621 1.00 . A A . 17 ARG O 1 1
3 867 1 1 18 GLU C C -10.333 -5.983 -2.809 1.00 . A A . 18 GLU C 1 1
3 868 1 1 18 GLU CA C -11.513 -6.039 -1.868 1.00 . A A . 18 GLU CA 1 1
3 869 1 1 18 GLU CB C -12.857 -6.085 -2.649 1.00 . A A . 18 GLU CB 1 1
3 870 1 1 18 GLU CD C -15.253 -4.960 -2.890 1.00 . A A . 18 GLU CD 1 1
3 871 1 1 18 GLU CG C -13.754 -4.803 -2.617 1.00 . A A . 18 GLU CG 1 1
3 872 1 1 18 GLU H H -11.735 -4.986 0.066 1.00 . A A . 18 GLU H 1 1
3 873 1 1 18 GLU HA H -11.411 -6.955 -1.256 1.00 . A A . 18 GLU HA 1 1
3 874 1 1 18 GLU HB2 H -12.644 -6.335 -3.707 1.00 . A A . 18 GLU HB2 1 1
3 875 1 1 18 GLU HB3 H -13.449 -6.946 -2.281 1.00 . A A . 18 GLU HB3 1 1
3 876 1 1 18 GLU HG2 H -13.661 -4.307 -1.633 1.00 . A A . 18 GLU HG2 1 1
3 877 1 1 18 GLU HG3 H -13.375 -4.054 -3.337 1.00 . A A . 18 GLU HG3 1 1
3 878 1 1 18 GLU N N -11.537 -4.883 -0.976 1.00 . A A . 18 GLU N 1 1
3 879 1 1 18 GLU O O -10.459 -5.653 -4.029 1.00 . A A . 18 GLU O 1 1
3 880 1 1 18 GLU OXT O -9.206 -6.285 -2.306 1.00 . A A . 18 GLU OXT 1 1
3 881 1 1 18 GLU OE1 O -15.710 -5.840 -3.608 1.00 . A A . 18 GLU OE1 1 1
3 882 1 1 18 GLU OE2 O -16.025 -4.033 -2.259 1.00 . A A . 18 GLU OE2 1 1
4 883 1 1 1 ALA C C 10.618 6.540 -3.808 1.00 . A A . 1 ALA C 1 1
4 884 1 1 1 ALA CA C 11.710 6.715 -4.836 1.00 . A A . 1 ALA CA 1 1
4 885 1 1 1 ALA CB C 12.676 7.862 -4.489 1.00 . A A . 1 ALA CB 1 1
4 886 1 1 1 ALA H1 H 10.276 7.527 -6.053 1.00 . A A . 1 ALA H1 1 1
4 887 1 1 1 ALA H2 H 11.826 7.542 -6.707 1.00 . A A . 1 ALA H2 1 1
4 888 1 1 1 ALA H3 H 10.955 6.105 -6.640 1.00 . A A . 1 ALA H3 1 1
4 889 1 1 1 ALA HA H 12.271 5.763 -4.884 1.00 . A A . 1 ALA HA 1 1
4 890 1 1 1 ALA HB1 H 13.492 7.951 -5.232 1.00 . A A . 1 ALA HB1 1 1
4 891 1 1 1 ALA HB2 H 12.163 8.843 -4.453 1.00 . A A . 1 ALA HB2 1 1
4 892 1 1 1 ALA HB3 H 13.159 7.711 -3.506 1.00 . A A . 1 ALA HB3 1 1
4 893 1 1 1 ALA N N 11.151 6.993 -6.155 1.00 . A A . 1 ALA N 1 1
4 894 1 1 1 ALA O O 9.420 6.695 -4.088 1.00 . A A . 1 ALA O 1 1
4 895 1 1 2 LEU C C 9.055 4.866 -2.002 1.00 . A A . 2 LEU C 1 1
4 896 1 1 2 LEU CA C 10.068 5.884 -1.527 1.00 . A A . 2 LEU CA 1 1
4 897 1 1 2 LEU CB C 9.397 7.184 -1.002 1.00 . A A . 2 LEU CB 1 1
4 898 1 1 2 LEU CD1 C 9.992 9.632 -1.264 1.00 . A A . 2 LEU CD1 1 1
4 899 1 1 2 LEU CD2 C 10.246 8.566 0.996 1.00 . A A . 2 LEU CD2 1 1
4 900 1 1 2 LEU CG C 10.326 8.332 -0.521 1.00 . A A . 2 LEU CG 1 1
4 901 1 1 2 LEU H H 12.065 6.121 -2.451 1.00 . A A . 2 LEU H 1 1
4 902 1 1 2 LEU HA H 10.624 5.397 -0.705 1.00 . A A . 2 LEU HA 1 1
4 903 1 1 2 LEU HB2 H 8.730 7.587 -1.791 1.00 . A A . 2 LEU HB2 1 1
4 904 1 1 2 LEU HB3 H 8.714 6.917 -0.172 1.00 . A A . 2 LEU HB3 1 1
4 905 1 1 2 LEU HD11 H 10.081 9.514 -2.361 1.00 . A A . 2 LEU HD11 1 1
4 906 1 1 2 LEU HD12 H 8.963 9.983 -1.056 1.00 . A A . 2 LEU HD12 1 1
4 907 1 1 2 LEU HD13 H 10.679 10.452 -0.980 1.00 . A A . 2 LEU HD13 1 1
4 908 1 1 2 LEU HD21 H 9.214 8.774 1.334 1.00 . A A . 2 LEU HD21 1 1
4 909 1 1 2 LEU HD22 H 10.605 7.684 1.558 1.00 . A A . 2 LEU HD22 1 1
4 910 1 1 2 LEU HD23 H 10.882 9.412 1.318 1.00 . A A . 2 LEU HD23 1 1
4 911 1 1 2 LEU HG H 11.374 8.054 -0.774 1.00 . A A . 2 LEU HG 1 1
4 912 1 1 2 LEU N N 11.015 6.197 -2.597 1.00 . A A . 2 LEU N 1 1
4 913 1 1 2 LEU O O 7.862 4.899 -1.672 1.00 . A A . 2 LEU O 1 1
4 914 1 1 3 ASP C C 8.394 1.748 -2.466 1.00 . A A . 3 ASP C 1 1
4 915 1 1 3 ASP CA C 8.689 2.899 -3.399 1.00 . A A . 3 ASP CA 1 1
4 916 1 1 3 ASP CB C 9.333 2.404 -4.725 1.00 . A A . 3 ASP CB 1 1
4 917 1 1 3 ASP CG C 8.613 2.790 -6.025 1.00 . A A . 3 ASP CG 1 1
4 918 1 1 3 ASP H H 10.598 3.915 -2.917 1.00 . A A . 3 ASP H 1 1
4 919 1 1 3 ASP HA H 7.719 3.389 -3.609 1.00 . A A . 3 ASP HA 1 1
4 920 1 1 3 ASP HB2 H 10.378 2.749 -4.810 1.00 . A A . 3 ASP HB2 1 1
4 921 1 1 3 ASP HB3 H 9.405 1.299 -4.704 1.00 . A A . 3 ASP HB3 1 1
4 922 1 1 3 ASP N N 9.538 3.916 -2.786 1.00 . A A . 3 ASP N 1 1
4 923 1 1 3 ASP O O 7.491 0.928 -2.721 1.00 . A A . 3 ASP O 1 1
4 924 1 1 3 ASP OD1 O 8.525 4.143 -6.200 1.00 . A A . 3 ASP OD1 1 1
4 925 1 1 3 ASP OD2 O 8.153 1.967 -6.802 1.00 . A A . 3 ASP OD2 1 1
4 926 1 1 4 LYS C C 7.716 1.028 0.509 1.00 . A A . 4 LYS C 1 1
4 927 1 1 4 LYS CA C 8.878 0.621 -0.366 1.00 . A A . 4 LYS CA 1 1
4 928 1 1 4 LYS CB C 10.164 0.404 0.479 1.00 . A A . 4 LYS CB 1 1
4 929 1 1 4 LYS CD C 10.810 -2.095 0.770 1.00 . A A . 4 LYS CD 1 1
4 930 1 1 4 LYS CE C 12.050 -2.986 0.611 1.00 . A A . 4 LYS CE 1 1
4 931 1 1 4 LYS CG C 11.024 -0.791 -0.003 1.00 . A A . 4 LYS CG 1 1
4 932 1 1 4 LYS H H 9.925 2.341 -1.277 1.00 . A A . 4 LYS H 1 1
4 933 1 1 4 LYS HA H 8.600 -0.324 -0.869 1.00 . A A . 4 LYS HA 1 1
4 934 1 1 4 LYS HB2 H 10.781 1.324 0.460 1.00 . A A . 4 LYS HB2 1 1
4 935 1 1 4 LYS HB3 H 9.888 0.269 1.545 1.00 . A A . 4 LYS HB3 1 1
4 936 1 1 4 LYS HD2 H 10.606 -1.871 1.835 1.00 . A A . 4 LYS HD2 1 1
4 937 1 1 4 LYS HD3 H 9.911 -2.617 0.382 1.00 . A A . 4 LYS HD3 1 1
4 938 1 1 4 LYS HE2 H 11.787 -4.051 0.779 1.00 . A A . 4 LYS HE2 1 1
4 939 1 1 4 LYS HE3 H 12.451 -2.933 -0.423 1.00 . A A . 4 LYS HE3 1 1
4 940 1 1 4 LYS HG2 H 10.804 -1.017 -1.063 1.00 . A A . 4 LYS HG2 1 1
4 941 1 1 4 LYS HG3 H 12.096 -0.509 0.022 1.00 . A A . 4 LYS HG3 1 1
4 942 1 1 4 LYS HZ1 H 12.664 -2.420 2.495 1.00 . A A . 4 LYS HZ1 1 1
4 943 1 1 4 LYS HZ2 H 13.821 -3.276 1.623 1.00 . A A . 4 LYS HZ2 1 1
4 944 1 1 4 LYS HZ3 H 13.502 -1.668 1.245 1.00 . A A . 4 LYS HZ3 1 1
4 945 1 1 4 LYS N N 9.141 1.633 -1.386 1.00 . A A . 4 LYS N 1 1
4 946 1 1 4 LYS NZ N 13.087 -2.555 1.565 1.00 . A A . 4 LYS NZ 1 1
4 947 1 1 4 LYS O O 6.938 0.197 1.000 1.00 . A A . 4 LYS O 1 1
4 948 1 1 5 LEU C C 5.213 2.970 0.770 1.00 . A A . 5 LEU C 1 1
4 949 1 1 5 LEU CA C 6.503 2.864 1.548 1.00 . A A . 5 LEU CA 1 1
4 950 1 1 5 LEU CB C 6.910 4.246 2.135 1.00 . A A . 5 LEU CB 1 1
4 951 1 1 5 LEU CD1 C 6.644 3.419 4.513 1.00 . A A . 5 LEU CD1 1 1
4 952 1 1 5 LEU CD2 C 8.961 3.825 3.631 1.00 . A A . 5 LEU CD2 1 1
4 953 1 1 5 LEU CG C 7.495 4.285 3.573 1.00 . A A . 5 LEU CG 1 1
4 954 1 1 5 LEU H H 8.321 2.950 0.283 1.00 . A A . 5 LEU H 1 1
4 955 1 1 5 LEU HA H 6.309 2.155 2.373 1.00 . A A . 5 LEU HA 1 1
4 956 1 1 5 LEU HB2 H 7.644 4.720 1.453 1.00 . A A . 5 LEU HB2 1 1
4 957 1 1 5 LEU HB3 H 6.027 4.915 2.102 1.00 . A A . 5 LEU HB3 1 1
4 958 1 1 5 LEU HD11 H 5.587 3.747 4.531 1.00 . A A . 5 LEU HD11 1 1
4 959 1 1 5 LEU HD12 H 6.649 2.352 4.220 1.00 . A A . 5 LEU HD12 1 1
4 960 1 1 5 LEU HD13 H 7.008 3.471 5.556 1.00 . A A . 5 LEU HD13 1 1
4 961 1 1 5 LEU HD21 H 9.099 2.812 3.209 1.00 . A A . 5 LEU HD21 1 1
4 962 1 1 5 LEU HD22 H 9.618 4.510 3.063 1.00 . A A . 5 LEU HD22 1 1
4 963 1 1 5 LEU HD23 H 9.351 3.815 4.665 1.00 . A A . 5 LEU HD23 1 1
4 964 1 1 5 LEU HG H 7.445 5.332 3.938 1.00 . A A . 5 LEU HG 1 1
4 965 1 1 5 LEU N N 7.579 2.324 0.721 1.00 . A A . 5 LEU N 1 1
4 966 1 1 5 LEU O O 4.106 2.886 1.324 1.00 . A A . 5 LEU O 1 1
4 967 1 1 6 LYS C C 3.548 1.874 -1.615 1.00 . A A . 6 LYS C 1 1
4 968 1 1 6 LYS CA C 4.157 3.240 -1.404 1.00 . A A . 6 LYS CA 1 1
4 969 1 1 6 LYS CB C 4.575 3.875 -2.759 1.00 . A A . 6 LYS CB 1 1
4 970 1 1 6 LYS CD C 6.134 5.725 -3.702 1.00 . A A . 6 LYS CD 1 1
4 971 1 1 6 LYS CE C 5.610 6.981 -4.409 1.00 . A A . 6 LYS CE 1 1
4 972 1 1 6 LYS CG C 5.144 5.309 -2.610 1.00 . A A . 6 LYS CG 1 1
4 973 1 1 6 LYS H H 6.312 3.341 -0.894 1.00 . A A . 6 LYS H 1 1
4 974 1 1 6 LYS HA H 3.391 3.864 -0.908 1.00 . A A . 6 LYS HA 1 1
4 975 1 1 6 LYS HB2 H 5.335 3.236 -3.250 1.00 . A A . 6 LYS HB2 1 1
4 976 1 1 6 LYS HB3 H 3.710 3.874 -3.453 1.00 . A A . 6 LYS HB3 1 1
4 977 1 1 6 LYS HD2 H 7.133 5.899 -3.255 1.00 . A A . 6 LYS HD2 1 1
4 978 1 1 6 LYS HD3 H 6.258 4.898 -4.430 1.00 . A A . 6 LYS HD3 1 1
4 979 1 1 6 LYS HE2 H 4.580 7.218 -4.069 1.00 . A A . 6 LYS HE2 1 1
4 980 1 1 6 LYS HE3 H 6.224 7.870 -4.155 1.00 . A A . 6 LYS HE3 1 1
4 981 1 1 6 LYS HG2 H 4.323 6.049 -2.630 1.00 . A A . 6 LYS HG2 1 1
4 982 1 1 6 LYS HG3 H 5.615 5.418 -1.612 1.00 . A A . 6 LYS HG3 1 1
4 983 1 1 6 LYS HZ1 H 6.279 5.998 -6.092 1.00 . A A . 6 LYS HZ1 1 1
4 984 1 1 6 LYS HZ2 H 4.685 6.526 -6.194 1.00 . A A . 6 LYS HZ2 1 1
4 985 1 1 6 LYS HZ3 H 5.947 7.628 -6.336 1.00 . A A . 6 LYS HZ3 1 1
4 986 1 1 6 LYS N N 5.327 3.178 -0.528 1.00 . A A . 6 LYS N 1 1
4 987 1 1 6 LYS NZ N 5.632 6.767 -5.867 1.00 . A A . 6 LYS NZ 1 1
4 988 1 1 6 LYS O O 2.321 1.700 -1.649 1.00 . A A . 6 LYS O 1 1
4 989 1 1 7 GLU C C 3.101 -0.839 -0.610 1.00 . A A . 7 GLU C 1 1
4 990 1 1 7 GLU CA C 3.956 -0.514 -1.817 1.00 . A A . 7 GLU CA 1 1
4 991 1 1 7 GLU CB C 5.214 -1.424 -1.863 1.00 . A A . 7 GLU CB 1 1
4 992 1 1 7 GLU CD C 6.454 -3.527 -0.811 1.00 . A A . 7 GLU CD 1 1
4 993 1 1 7 GLU CG C 5.468 -2.369 -0.642 1.00 . A A . 7 GLU CG 1 1
4 994 1 1 7 GLU H H 5.432 1.142 -1.733 1.00 . A A . 7 GLU H 1 1
4 995 1 1 7 GLU HA H 3.348 -0.660 -2.727 1.00 . A A . 7 GLU HA 1 1
4 996 1 1 7 GLU HB2 H 5.170 -2.045 -2.780 1.00 . A A . 7 GLU HB2 1 1
4 997 1 1 7 GLU HB3 H 6.108 -0.786 -2.015 1.00 . A A . 7 GLU HB3 1 1
4 998 1 1 7 GLU HG2 H 5.822 -1.767 0.219 1.00 . A A . 7 GLU HG2 1 1
4 999 1 1 7 GLU HG3 H 4.515 -2.808 -0.293 1.00 . A A . 7 GLU HG3 1 1
4 1000 1 1 7 GLU N N 4.402 0.877 -1.747 1.00 . A A . 7 GLU N 1 1
4 1001 1 1 7 GLU O O 2.111 -1.579 -0.662 1.00 . A A . 7 GLU O 1 1
4 1002 1 1 7 GLU OE1 O 7.429 -3.469 -1.548 1.00 . A A . 7 GLU OE1 1 1
4 1003 1 1 7 GLU OE2 O 6.144 -4.625 -0.067 1.00 . A A . 7 GLU OE2 1 1
4 1004 1 1 8 PHE C C 1.448 -0.055 1.843 1.00 . A A . 8 PHE C 1 1
4 1005 1 1 8 PHE CA C 2.865 -0.576 1.804 1.00 . A A . 8 PHE CA 1 1
4 1006 1 1 8 PHE CB C 3.670 0.091 2.963 1.00 . A A . 8 PHE CB 1 1
4 1007 1 1 8 PHE CD1 C 2.642 -1.437 4.711 1.00 . A A . 8 PHE CD1 1 1
4 1008 1 1 8 PHE CD2 C 3.205 0.820 5.363 1.00 . A A . 8 PHE CD2 1 1
4 1009 1 1 8 PHE CE1 C 2.155 -1.687 5.989 1.00 . A A . 8 PHE CE1 1 1
4 1010 1 1 8 PHE CE2 C 2.714 0.569 6.642 1.00 . A A . 8 PHE CE2 1 1
4 1011 1 1 8 PHE CG C 3.179 -0.185 4.392 1.00 . A A . 8 PHE CG 1 1
4 1012 1 1 8 PHE CZ C 2.193 -0.684 6.956 1.00 . A A . 8 PHE CZ 1 1
4 1013 1 1 8 PHE H H 4.334 0.388 0.446 1.00 . A A . 8 PHE H 1 1
4 1014 1 1 8 PHE HA H 2.838 -1.672 1.948 1.00 . A A . 8 PHE HA 1 1
4 1015 1 1 8 PHE HB2 H 4.737 -0.202 2.883 1.00 . A A . 8 PHE HB2 1 1
4 1016 1 1 8 PHE HB3 H 3.692 1.188 2.804 1.00 . A A . 8 PHE HB3 1 1
4 1017 1 1 8 PHE HD1 H 2.576 -2.209 3.956 1.00 . A A . 8 PHE HD1 1 1
4 1018 1 1 8 PHE HD2 H 3.593 1.800 5.122 1.00 . A A . 8 PHE HD2 1 1
4 1019 1 1 8 PHE HE1 H 1.761 -2.664 6.231 1.00 . A A . 8 PHE HE1 1 1
4 1020 1 1 8 PHE HE2 H 2.744 1.347 7.391 1.00 . A A . 8 PHE HE2 1 1
4 1021 1 1 8 PHE HZ H 1.819 -0.882 7.949 1.00 . A A . 8 PHE HZ 1 1
4 1022 1 1 8 PHE N N 3.503 -0.283 0.524 1.00 . A A . 8 PHE N 1 1
4 1023 1 1 8 PHE O O 0.532 -0.685 2.389 1.00 . A A . 8 PHE O 1 1
4 1024 1 1 9 GLY C C -1.017 1.032 0.313 1.00 . A A . 9 GLY C 1 1
4 1025 1 1 9 GLY CA C -0.064 1.754 1.237 1.00 . A A . 9 GLY CA 1 1
4 1026 1 1 9 GLY H H 2.127 1.619 0.928 1.00 . A A . 9 GLY H 1 1
4 1027 1 1 9 GLY HA2 H -0.503 1.781 2.254 1.00 . A A . 9 GLY HA2 1 1
4 1028 1 1 9 GLY HA3 H 0.025 2.807 0.905 1.00 . A A . 9 GLY HA3 1 1
4 1029 1 1 9 GLY N N 1.254 1.128 1.288 1.00 . A A . 9 GLY N 1 1
4 1030 1 1 9 GLY O O -2.248 1.176 0.415 1.00 . A A . 9 GLY O 1 1
4 1031 1 1 10 ASN C C -1.803 -1.816 -0.817 1.00 . A A . 10 ASN C 1 1
4 1032 1 1 10 ASN CA C -1.298 -0.569 -1.504 1.00 . A A . 10 ASN CA 1 1
4 1033 1 1 10 ASN CB C -0.450 -0.944 -2.758 1.00 . A A . 10 ASN CB 1 1
4 1034 1 1 10 ASN CG C -1.175 -1.646 -3.910 1.00 . A A . 10 ASN CG 1 1
4 1035 1 1 10 ASN H H 0.572 0.325 -0.723 1.00 . A A . 10 ASN H 1 1
4 1036 1 1 10 ASN HA H -2.192 0.012 -1.806 1.00 . A A . 10 ASN HA 1 1
4 1037 1 1 10 ASN HB2 H 0.006 -0.024 -3.176 1.00 . A A . 10 ASN HB2 1 1
4 1038 1 1 10 ASN HB3 H 0.416 -1.564 -2.458 1.00 . A A . 10 ASN HB3 1 1
4 1039 1 1 10 ASN HD21 H -1.479 0.080 -4.852 1.00 . A A . 10 ASN HD21 1 1
4 1040 1 1 10 ASN HD22 H -2.060 -1.490 -5.633 1.00 . A A . 10 ASN HD22 1 1
4 1041 1 1 10 ASN N N -0.487 0.266 -0.620 1.00 . A A . 10 ASN N 1 1
4 1042 1 1 10 ASN ND2 N -1.671 -0.921 -4.876 1.00 . A A . 10 ASN ND2 1 1
4 1043 1 1 10 ASN O O -2.756 -2.468 -1.277 1.00 . A A . 10 ASN O 1 1
4 1044 1 1 10 ASN OD1 O -1.305 -2.861 -3.956 1.00 . A A . 10 ASN OD1 1 1
4 1045 1 1 11 THR C C -2.803 -2.867 1.964 1.00 . A A . 11 THR C 1 1
4 1046 1 1 11 THR CA C -1.633 -3.301 1.110 1.00 . A A . 11 THR CA 1 1
4 1047 1 1 11 THR CB C -0.467 -3.817 2.019 1.00 . A A . 11 THR CB 1 1
4 1048 1 1 11 THR CG2 C -0.885 -4.459 3.362 1.00 . A A . 11 THR CG2 1 1
4 1049 1 1 11 THR H H -0.268 -1.672 0.495 1.00 . A A . 11 THR H 1 1
4 1050 1 1 11 THR HA H -1.983 -4.124 0.460 1.00 . A A . 11 THR HA 1 1
4 1051 1 1 11 THR HB H 0.204 -2.958 2.239 1.00 . A A . 11 THR HB 1 1
4 1052 1 1 11 THR HG1 H 1.014 -5.045 1.946 1.00 . A A . 11 THR HG1 1 1
4 1053 1 1 11 THR HG21 H -1.556 -5.326 3.211 1.00 . A A . 11 THR HG21 1 1
4 1054 1 1 11 THR HG22 H -0.014 -4.814 3.943 1.00 . A A . 11 THR HG22 1 1
4 1055 1 1 11 THR HG23 H -1.416 -3.748 4.023 1.00 . A A . 11 THR HG23 1 1
4 1056 1 1 11 THR N N -1.169 -2.197 0.274 1.00 . A A . 11 THR N 1 1
4 1057 1 1 11 THR O O -3.823 -3.556 2.089 1.00 . A A . 11 THR O 1 1
4 1058 1 1 11 THR OG1 O 0.281 -4.831 1.362 1.00 . A A . 11 THR OG1 1 1
4 1059 1 1 12 LEU C C -5.001 -0.970 2.576 1.00 . A A . 12 LEU C 1 1
4 1060 1 1 12 LEU CA C -3.722 -1.097 3.372 1.00 . A A . 12 LEU CA 1 1
4 1061 1 1 12 LEU CB C -3.265 0.298 3.895 1.00 . A A . 12 LEU CB 1 1
4 1062 1 1 12 LEU CD1 C -3.618 1.849 5.918 1.00 . A A . 12 LEU CD1 1 1
4 1063 1 1 12 LEU CD2 C -4.968 2.168 3.824 1.00 . A A . 12 LEU CD2 1 1
4 1064 1 1 12 LEU CG C -4.275 1.136 4.724 1.00 . A A . 12 LEU CG 1 1
4 1065 1 1 12 LEU H H -1.669 -1.295 2.554 1.00 . A A . 12 LEU H 1 1
4 1066 1 1 12 LEU HA H -3.961 -1.759 4.226 1.00 . A A . 12 LEU HA 1 1
4 1067 1 1 12 LEU HB2 H -2.346 0.166 4.502 1.00 . A A . 12 LEU HB2 1 1
4 1068 1 1 12 LEU HB3 H -2.937 0.901 3.026 1.00 . A A . 12 LEU HB3 1 1
4 1069 1 1 12 LEU HD11 H -3.004 1.148 6.514 1.00 . A A . 12 LEU HD11 1 1
4 1070 1 1 12 LEU HD12 H -2.933 2.654 5.593 1.00 . A A . 12 LEU HD12 1 1
4 1071 1 1 12 LEU HD13 H -4.363 2.296 6.601 1.00 . A A . 12 LEU HD13 1 1
4 1072 1 1 12 LEU HD21 H -5.418 1.698 2.929 1.00 . A A . 12 LEU HD21 1 1
4 1073 1 1 12 LEU HD22 H -5.778 2.708 4.351 1.00 . A A . 12 LEU HD22 1 1
4 1074 1 1 12 LEU HD23 H -4.257 2.930 3.454 1.00 . A A . 12 LEU HD23 1 1
4 1075 1 1 12 LEU HG H -5.054 0.449 5.116 1.00 . A A . 12 LEU HG 1 1
4 1076 1 1 12 LEU N N -2.651 -1.719 2.599 1.00 . A A . 12 LEU N 1 1
4 1077 1 1 12 LEU O O -6.097 -1.313 3.046 1.00 . A A . 12 LEU O 1 1
4 1078 1 1 13 GLU C C -6.697 -1.541 0.137 1.00 . A A . 13 GLU C 1 1
4 1079 1 1 13 GLU CA C -6.056 -0.225 0.513 1.00 . A A . 13 GLU CA 1 1
4 1080 1 1 13 GLU CB C -5.600 0.561 -0.747 1.00 . A A . 13 GLU CB 1 1
4 1081 1 1 13 GLU CD C -4.013 2.654 -1.159 1.00 . A A . 13 GLU CD 1 1
4 1082 1 1 13 GLU CG C -5.310 2.089 -0.574 1.00 . A A . 13 GLU CG 1 1
4 1083 1 1 13 GLU H H -3.902 -0.246 1.038 1.00 . A A . 13 GLU H 1 1
4 1084 1 1 13 GLU HA H -6.802 0.369 1.072 1.00 . A A . 13 GLU HA 1 1
4 1085 1 1 13 GLU HB2 H -4.693 0.078 -1.159 1.00 . A A . 13 GLU HB2 1 1
4 1086 1 1 13 GLU HB3 H -6.360 0.428 -1.542 1.00 . A A . 13 GLU HB3 1 1
4 1087 1 1 13 GLU HG2 H -6.138 2.676 -1.012 1.00 . A A . 13 GLU HG2 1 1
4 1088 1 1 13 GLU HG3 H -5.323 2.358 0.499 1.00 . A A . 13 GLU HG3 1 1
4 1089 1 1 13 GLU N N -4.892 -0.450 1.368 1.00 . A A . 13 GLU N 1 1
4 1090 1 1 13 GLU O O -7.905 -1.765 0.300 1.00 . A A . 13 GLU O 1 1
4 1091 1 1 13 GLU OE1 O -3.508 2.232 -2.191 1.00 . A A . 13 GLU OE1 1 1
4 1092 1 1 13 GLU OE2 O -3.478 3.670 -0.426 1.00 . A A . 13 GLU OE2 1 1
4 1093 1 1 14 ASP C C -7.029 -4.424 0.492 1.00 . A A . 14 ASP C 1 1
4 1094 1 1 14 ASP CA C -6.311 -3.804 -0.685 1.00 . A A . 14 ASP CA 1 1
4 1095 1 1 14 ASP CB C -5.088 -4.654 -1.134 1.00 . A A . 14 ASP CB 1 1
4 1096 1 1 14 ASP CG C -4.928 -4.893 -2.642 1.00 . A A . 14 ASP CG 1 1
4 1097 1 1 14 ASP H H -4.912 -2.085 -0.652 1.00 . A A . 14 ASP H 1 1
4 1098 1 1 14 ASP HA H -7.043 -3.764 -1.511 1.00 . A A . 14 ASP HA 1 1
4 1099 1 1 14 ASP HB2 H -4.144 -4.217 -0.766 1.00 . A A . 14 ASP HB2 1 1
4 1100 1 1 14 ASP HB3 H -5.154 -5.644 -0.646 1.00 . A A . 14 ASP HB3 1 1
4 1101 1 1 14 ASP N N -5.889 -2.437 -0.400 1.00 . A A . 14 ASP N 1 1
4 1102 1 1 14 ASP O O -7.891 -5.308 0.331 1.00 . A A . 14 ASP O 1 1
4 1103 1 1 14 ASP OD1 O -5.523 -5.777 -3.243 1.00 . A A . 14 ASP OD1 1 1
4 1104 1 1 14 ASP OD2 O -4.077 -4.003 -3.235 1.00 . A A . 14 ASP OD2 1 1
4 1105 1 1 15 LYS C C -8.762 -4.477 2.948 1.00 . A A . 15 LYS C 1 1
4 1106 1 1 15 LYS CA C -7.257 -4.578 2.910 1.00 . A A . 15 LYS CA 1 1
4 1107 1 1 15 LYS CB C -6.626 -3.893 4.155 1.00 . A A . 15 LYS CB 1 1
4 1108 1 1 15 LYS CD C -6.001 -5.797 5.805 1.00 . A A . 15 LYS CD 1 1
4 1109 1 1 15 LYS CE C -4.857 -6.181 6.752 1.00 . A A . 15 LYS CE 1 1
4 1110 1 1 15 LYS CG C -5.507 -4.737 4.816 1.00 . A A . 15 LYS CG 1 1
4 1111 1 1 15 LYS H H -6.015 -3.179 1.725 1.00 . A A . 15 LYS H 1 1
4 1112 1 1 15 LYS HA H -6.995 -5.653 2.910 1.00 . A A . 15 LYS HA 1 1
4 1113 1 1 15 LYS HB2 H -6.215 -2.906 3.869 1.00 . A A . 15 LYS HB2 1 1
4 1114 1 1 15 LYS HB3 H -7.418 -3.669 4.898 1.00 . A A . 15 LYS HB3 1 1
4 1115 1 1 15 LYS HD2 H -6.876 -5.408 6.364 1.00 . A A . 15 LYS HD2 1 1
4 1116 1 1 15 LYS HD3 H -6.357 -6.690 5.251 1.00 . A A . 15 LYS HD3 1 1
4 1117 1 1 15 LYS HE2 H -3.929 -6.386 6.177 1.00 . A A . 15 LYS HE2 1 1
4 1118 1 1 15 LYS HE3 H -4.608 -5.346 7.439 1.00 . A A . 15 LYS HE3 1 1
4 1119 1 1 15 LYS HG2 H -4.928 -5.277 4.044 1.00 . A A . 15 LYS HG2 1 1
4 1120 1 1 15 LYS HG3 H -4.781 -4.065 5.314 1.00 . A A . 15 LYS HG3 1 1
4 1121 1 1 15 LYS HZ1 H -6.238 -7.286 7.808 1.00 . A A . 15 LYS HZ1 1 1
4 1122 1 1 15 LYS HZ2 H -5.115 -8.214 6.967 1.00 . A A . 15 LYS HZ2 1 1
4 1123 1 1 15 LYS HZ3 H -4.663 -7.426 8.382 1.00 . A A . 15 LYS HZ3 1 1
4 1124 1 1 15 LYS N N -6.715 -3.978 1.693 1.00 . A A . 15 LYS N 1 1
4 1125 1 1 15 LYS NZ N -5.248 -7.366 7.536 1.00 . A A . 15 LYS NZ 1 1
4 1126 1 1 15 LYS O O -9.478 -5.448 3.235 1.00 . A A . 15 LYS O 1 1
4 1127 1 1 16 ALA C C -11.208 -2.320 1.528 1.00 . A A . 16 ALA C 1 1
4 1128 1 1 16 ALA CA C -10.707 -3.028 2.767 1.00 . A A . 16 ALA CA 1 1
4 1129 1 1 16 ALA CB C -10.961 -2.232 4.057 1.00 . A A . 16 ALA CB 1 1
4 1130 1 1 16 ALA H H -8.588 -2.549 2.343 1.00 . A A . 16 ALA H 1 1
4 1131 1 1 16 ALA HA H -11.229 -4.002 2.813 1.00 . A A . 16 ALA HA 1 1
4 1132 1 1 16 ALA HB1 H -10.623 -2.782 4.954 1.00 . A A . 16 ALA HB1 1 1
4 1133 1 1 16 ALA HB2 H -10.433 -1.258 4.056 1.00 . A A . 16 ALA HB2 1 1
4 1134 1 1 16 ALA HB3 H -12.036 -2.017 4.203 1.00 . A A . 16 ALA HB3 1 1
4 1135 1 1 16 ALA N N -9.272 -3.290 2.675 1.00 . A A . 16 ALA N 1 1
4 1136 1 1 16 ALA O O -12.025 -1.390 1.579 1.00 . A A . 16 ALA O 1 1
4 1137 1 1 17 ARG C C -12.523 -2.928 -1.274 1.00 . A A . 17 ARG C 1 1
4 1138 1 1 17 ARG CA C -11.209 -2.278 -0.906 1.00 . A A . 17 ARG CA 1 1
4 1139 1 1 17 ARG CB C -10.128 -2.534 -1.992 1.00 . A A . 17 ARG CB 1 1
4 1140 1 1 17 ARG CD C -10.716 -0.508 -3.460 1.00 . A A . 17 ARG CD 1 1
4 1141 1 1 17 ARG CG C -10.495 -2.026 -3.412 1.00 . A A . 17 ARG CG 1 1
4 1142 1 1 17 ARG CZ C -12.248 0.313 -5.257 1.00 . A A . 17 ARG CZ 1 1
4 1143 1 1 17 ARG H H -9.948 -3.490 0.459 1.00 . A A . 17 ARG H 1 1
4 1144 1 1 17 ARG HA H -11.387 -1.191 -0.809 1.00 . A A . 17 ARG HA 1 1
4 1145 1 1 17 ARG HB2 H -9.175 -2.057 -1.690 1.00 . A A . 17 ARG HB2 1 1
4 1146 1 1 17 ARG HB3 H -9.894 -3.619 -2.035 1.00 . A A . 17 ARG HB3 1 1
4 1147 1 1 17 ARG HD2 H -10.670 -0.078 -2.440 1.00 . A A . 17 ARG HD2 1 1
4 1148 1 1 17 ARG HD3 H -9.914 -0.021 -4.054 1.00 . A A . 17 ARG HD3 1 1
4 1149 1 1 17 ARG HE H -12.874 -0.529 -3.534 1.00 . A A . 17 ARG HE 1 1
4 1150 1 1 17 ARG HG2 H -9.704 -2.286 -4.145 1.00 . A A . 17 ARG HG2 1 1
4 1151 1 1 17 ARG HG3 H -11.407 -2.542 -3.777 1.00 . A A . 17 ARG HG3 1 1
4 1152 1 1 17 ARG HH11 H -10.367 0.563 -5.672 1.00 . A A . 17 ARG HH11 1 1
4 1153 1 1 17 ARG HH12 H -11.585 1.137 -6.935 1.00 . A A . 17 ARG HH12 1 1
4 1154 1 1 17 ARG HH21 H -14.130 0.109 -4.948 1.00 . A A . 17 ARG HH21 1 1
4 1155 1 1 17 ARG HH22 H -13.632 0.893 -6.547 1.00 . A A . 17 ARG HH22 1 1
4 1156 1 1 17 ARG N N -10.729 -2.773 0.381 1.00 . A A . 17 ARG N 1 1
4 1157 1 1 17 ARG NE N -12.043 -0.249 -4.074 1.00 . A A . 17 ARG NE 1 1
4 1158 1 1 17 ARG NH1 N -11.302 0.721 -6.050 1.00 . A A . 17 ARG NH1 1 1
4 1159 1 1 17 ARG NH2 N -13.467 0.461 -5.641 1.00 . A A . 17 ARG NH2 1 1
4 1160 1 1 17 ARG O O -13.477 -2.275 -1.717 1.00 . A A . 17 ARG O 1 1
4 1161 1 1 18 GLU C C -14.258 -4.684 -2.822 1.00 . A A . 18 GLU C 1 1
4 1162 1 1 18 GLU CA C -13.774 -5.017 -1.430 1.00 . A A . 18 GLU CA 1 1
4 1163 1 1 18 GLU CB C -14.880 -4.757 -0.369 1.00 . A A . 18 GLU CB 1 1
4 1164 1 1 18 GLU CD C -15.408 -3.571 1.950 1.00 . A A . 18 GLU CD 1 1
4 1165 1 1 18 GLU CG C -14.678 -3.548 0.604 1.00 . A A . 18 GLU CG 1 1
4 1166 1 1 18 GLU H H -11.756 -4.674 -0.588 1.00 . A A . 18 GLU H 1 1
4 1167 1 1 18 GLU HA H -13.498 -6.088 -1.420 1.00 . A A . 18 GLU HA 1 1
4 1168 1 1 18 GLU HB2 H -15.849 -4.626 -0.889 1.00 . A A . 18 GLU HB2 1 1
4 1169 1 1 18 GLU HB3 H -15.017 -5.679 0.231 1.00 . A A . 18 GLU HB3 1 1
4 1170 1 1 18 GLU HG2 H -13.602 -3.425 0.829 1.00 . A A . 18 GLU HG2 1 1
4 1171 1 1 18 GLU HG3 H -14.961 -2.603 0.104 1.00 . A A . 18 GLU HG3 1 1
4 1172 1 1 18 GLU N N -12.598 -4.230 -1.071 1.00 . A A . 18 GLU N 1 1
4 1173 1 1 18 GLU O O -15.294 -3.979 -3.025 1.00 . A A . 18 GLU O 1 1
4 1174 1 1 18 GLU OXT O -13.564 -5.152 -3.778 1.00 . A A . 18 GLU OXT 1 1
4 1175 1 1 18 GLU OE1 O -16.765 -3.559 1.838 1.00 . A A . 18 GLU OE1 1 1
4 1176 1 1 18 GLU OE2 O -14.822 -3.599 3.025 1.00 . A A . 18 GLU OE2 1 1
5 1177 1 1 1 ALA C C 10.547 6.182 -4.172 1.00 . A A . 1 ALA C 1 1
5 1178 1 1 1 ALA CA C 11.589 6.288 -5.260 1.00 . A A . 1 ALA CA 1 1
5 1179 1 1 1 ALA CB C 12.583 7.437 -5.023 1.00 . A A . 1 ALA CB 1 1
5 1180 1 1 1 ALA H1 H 10.105 5.945 -6.630 1.00 . A A . 1 ALA H1 1 1
5 1181 1 1 1 ALA H2 H 10.742 7.501 -6.676 1.00 . A A . 1 ALA H2 1 1
5 1182 1 1 1 ALA H3 H 11.621 6.214 -7.307 1.00 . A A . 1 ALA H3 1 1
5 1183 1 1 1 ALA HA H 12.136 5.326 -5.284 1.00 . A A . 1 ALA HA 1 1
5 1184 1 1 1 ALA HB1 H 13.362 7.476 -5.808 1.00 . A A . 1 ALA HB1 1 1
5 1185 1 1 1 ALA HB2 H 12.084 8.426 -5.014 1.00 . A A . 1 ALA HB2 1 1
5 1186 1 1 1 ALA HB3 H 13.113 7.332 -4.057 1.00 . A A . 1 ALA HB3 1 1
5 1187 1 1 1 ALA N N 10.969 6.503 -6.564 1.00 . A A . 1 ALA N 1 1
5 1188 1 1 1 ALA O O 9.336 6.307 -4.405 1.00 . A A . 1 ALA O 1 1
5 1189 1 1 2 LEU C C 9.082 4.649 -2.159 1.00 . A A . 2 LEU C 1 1
5 1190 1 1 2 LEU CA C 10.113 5.702 -1.823 1.00 . A A . 2 LEU CA 1 1
5 1191 1 1 2 LEU CB C 9.456 7.038 -1.375 1.00 . A A . 2 LEU CB 1 1
5 1192 1 1 2 LEU CD1 C 10.049 9.412 -2.025 1.00 . A A . 2 LEU CD1 1 1
5 1193 1 1 2 LEU CD2 C 10.333 8.714 0.371 1.00 . A A . 2 LEU CD2 1 1
5 1194 1 1 2 LEU CG C 10.393 8.244 -1.091 1.00 . A A . 2 LEU CG 1 1
5 1195 1 1 2 LEU H H 12.060 5.862 -2.862 1.00 . A A . 2 LEU H 1 1
5 1196 1 1 2 LEU HA H 10.712 5.286 -0.992 1.00 . A A . 2 LEU HA 1 1
5 1197 1 1 2 LEU HB2 H 8.718 7.348 -2.142 1.00 . A A . 2 LEU HB2 1 1
5 1198 1 1 2 LEU HB3 H 8.848 6.844 -0.469 1.00 . A A . 2 LEU HB3 1 1
5 1199 1 1 2 LEU HD11 H 10.123 9.123 -3.091 1.00 . A A . 2 LEU HD11 1 1
5 1200 1 1 2 LEU HD12 H 9.023 9.793 -1.861 1.00 . A A . 2 LEU HD12 1 1
5 1201 1 1 2 LEU HD13 H 10.739 10.265 -1.882 1.00 . A A . 2 LEU HD13 1 1
5 1202 1 1 2 LEU HD21 H 9.306 8.975 0.686 1.00 . A A . 2 LEU HD21 1 1
5 1203 1 1 2 LEU HD22 H 10.699 7.930 1.060 1.00 . A A . 2 LEU HD22 1 1
5 1204 1 1 2 LEU HD23 H 10.973 9.599 0.547 1.00 . A A . 2 LEU HD23 1 1
5 1205 1 1 2 LEU HG H 11.438 7.929 -1.313 1.00 . A A . 2 LEU HG 1 1
5 1206 1 1 2 LEU N N 11.003 5.929 -2.960 1.00 . A A . 2 LEU N 1 1
5 1207 1 1 2 LEU O O 7.909 4.717 -1.769 1.00 . A A . 2 LEU O 1 1
5 1208 1 1 3 ASP C C 8.284 1.576 -2.294 1.00 . A A . 3 ASP C 1 1
5 1209 1 1 3 ASP CA C 8.640 2.579 -3.367 1.00 . A A . 3 ASP CA 1 1
5 1210 1 1 3 ASP CB C 9.279 1.884 -4.602 1.00 . A A . 3 ASP CB 1 1
5 1211 1 1 3 ASP CG C 8.576 2.094 -5.950 1.00 . A A . 3 ASP CG 1 1
5 1212 1 1 3 ASP H H 10.574 3.625 -3.074 1.00 . A A . 3 ASP H 1 1
5 1213 1 1 3 ASP HA H 7.695 3.077 -3.656 1.00 . A A . 3 ASP HA 1 1
5 1214 1 1 3 ASP HB2 H 10.332 2.189 -4.727 1.00 . A A . 3 ASP HB2 1 1
5 1215 1 1 3 ASP HB3 H 9.325 0.792 -4.421 1.00 . A A . 3 ASP HB3 1 1
5 1216 1 1 3 ASP N N 9.525 3.634 -2.881 1.00 . A A . 3 ASP N 1 1
5 1217 1 1 3 ASP O O 7.336 0.780 -2.449 1.00 . A A . 3 ASP O 1 1
5 1218 1 1 3 ASP OD1 O 8.726 3.097 -6.632 1.00 . A A . 3 ASP OD1 1 1
5 1219 1 1 3 ASP OD2 O 7.786 1.036 -6.307 1.00 . A A . 3 ASP OD2 1 1
5 1220 1 1 4 LYS C C 7.615 1.166 0.763 1.00 . A A . 4 LYS C 1 1
5 1221 1 1 4 LYS CA C 8.748 0.651 -0.092 1.00 . A A . 4 LYS CA 1 1
5 1222 1 1 4 LYS CB C 10.042 0.465 0.748 1.00 . A A . 4 LYS CB 1 1
5 1223 1 1 4 LYS CD C 10.638 -1.997 1.322 1.00 . A A . 4 LYS CD 1 1
5 1224 1 1 4 LYS CE C 11.598 -1.864 2.512 1.00 . A A . 4 LYS CE 1 1
5 1225 1 1 4 LYS CG C 10.840 -0.810 0.376 1.00 . A A . 4 LYS CG 1 1
5 1226 1 1 4 LYS H H 9.817 2.265 -1.163 1.00 . A A . 4 LYS H 1 1
5 1227 1 1 4 LYS HA H 8.433 -0.324 -0.508 1.00 . A A . 4 LYS HA 1 1
5 1228 1 1 4 LYS HB2 H 10.697 1.350 0.625 1.00 . A A . 4 LYS HB2 1 1
5 1229 1 1 4 LYS HB3 H 9.784 0.450 1.827 1.00 . A A . 4 LYS HB3 1 1
5 1230 1 1 4 LYS HD2 H 9.583 -2.035 1.656 1.00 . A A . 4 LYS HD2 1 1
5 1231 1 1 4 LYS HD3 H 10.829 -2.945 0.780 1.00 . A A . 4 LYS HD3 1 1
5 1232 1 1 4 LYS HE2 H 12.445 -1.193 2.255 1.00 . A A . 4 LYS HE2 1 1
5 1233 1 1 4 LYS HE3 H 11.095 -1.393 3.382 1.00 . A A . 4 LYS HE3 1 1
5 1234 1 1 4 LYS HG2 H 10.549 -1.162 -0.632 1.00 . A A . 4 LYS HG2 1 1
5 1235 1 1 4 LYS HG3 H 11.918 -0.564 0.303 1.00 . A A . 4 LYS HG3 1 1
5 1236 1 1 4 LYS HZ1 H 11.302 -3.850 2.974 1.00 . A A . 4 LYS HZ1 1 1
5 1237 1 1 4 LYS HZ2 H 12.747 -3.540 2.171 1.00 . A A . 4 LYS HZ2 1 1
5 1238 1 1 4 LYS HZ3 H 12.585 -3.138 3.795 1.00 . A A . 4 LYS HZ3 1 1
5 1239 1 1 4 LYS N N 9.023 1.560 -1.203 1.00 . A A . 4 LYS N 1 1
5 1240 1 1 4 LYS NZ N 12.095 -3.198 2.891 1.00 . A A . 4 LYS NZ 1 1
5 1241 1 1 4 LYS O O 6.838 0.399 1.352 1.00 . A A . 4 LYS O 1 1
5 1242 1 1 5 LEU C C 5.178 3.236 0.928 1.00 . A A . 5 LEU C 1 1
5 1243 1 1 5 LEU CA C 6.479 3.109 1.684 1.00 . A A . 5 LEU CA 1 1
5 1244 1 1 5 LEU CB C 6.962 4.497 2.193 1.00 . A A . 5 LEU CB 1 1
5 1245 1 1 5 LEU CD1 C 6.923 3.650 4.577 1.00 . A A . 5 LEU CD1 1 1
5 1246 1 1 5 LEU CD2 C 9.139 4.200 3.531 1.00 . A A . 5 LEU CD2 1 1
5 1247 1 1 5 LEU CG C 7.647 4.569 3.584 1.00 . A A . 5 LEU CG 1 1
5 1248 1 1 5 LEU H H 8.242 3.048 0.343 1.00 . A A . 5 LEU H 1 1
5 1249 1 1 5 LEU HA H 6.271 2.451 2.548 1.00 . A A . 5 LEU HA 1 1
5 1250 1 1 5 LEU HB2 H 7.659 4.927 1.444 1.00 . A A . 5 LEU HB2 1 1
5 1251 1 1 5 LEU HB3 H 6.097 5.190 2.196 1.00 . A A . 5 LEU HB3 1 1
5 1252 1 1 5 LEU HD11 H 5.852 3.912 4.675 1.00 . A A . 5 LEU HD11 1 1
5 1253 1 1 5 LEU HD12 H 6.972 2.585 4.277 1.00 . A A . 5 LEU HD12 1 1
5 1254 1 1 5 LEU HD13 H 7.358 3.722 5.592 1.00 . A A . 5 LEU HD13 1 1
5 1255 1 1 5 LEU HD21 H 9.309 3.199 3.094 1.00 . A A . 5 LEU HD21 1 1
5 1256 1 1 5 LEU HD22 H 9.710 4.926 2.922 1.00 . A A . 5 LEU HD22 1 1
5 1257 1 1 5 LEU HD23 H 9.604 4.212 4.534 1.00 . A A . 5 LEU HD23 1 1
5 1258 1 1 5 LEU HG H 7.560 5.610 3.959 1.00 . A A . 5 LEU HG 1 1
5 1259 1 1 5 LEU N N 7.510 2.478 0.864 1.00 . A A . 5 LEU N 1 1
5 1260 1 1 5 LEU O O 4.079 3.198 1.503 1.00 . A A . 5 LEU O 1 1
5 1261 1 1 6 LYS C C 3.416 2.231 -1.467 1.00 . A A . 6 LYS C 1 1
5 1262 1 1 6 LYS CA C 4.096 3.558 -1.229 1.00 . A A . 6 LYS CA 1 1
5 1263 1 1 6 LYS CB C 4.523 4.217 -2.571 1.00 . A A . 6 LYS CB 1 1
5 1264 1 1 6 LYS CD C 6.158 6.011 -3.488 1.00 . A A . 6 LYS CD 1 1
5 1265 1 1 6 LYS CE C 5.502 7.070 -4.383 1.00 . A A . 6 LYS CE 1 1
5 1266 1 1 6 LYS CG C 5.181 5.607 -2.380 1.00 . A A . 6 LYS CG 1 1
5 1267 1 1 6 LYS H H 6.260 3.497 -0.768 1.00 . A A . 6 LYS H 1 1
5 1268 1 1 6 LYS HA H 3.371 4.209 -0.706 1.00 . A A . 6 LYS HA 1 1
5 1269 1 1 6 LYS HB2 H 5.233 3.553 -3.103 1.00 . A A . 6 LYS HB2 1 1
5 1270 1 1 6 LYS HB3 H 3.646 4.300 -3.245 1.00 . A A . 6 LYS HB3 1 1
5 1271 1 1 6 LYS HD2 H 7.099 6.388 -3.039 1.00 . A A . 6 LYS HD2 1 1
5 1272 1 1 6 LYS HD3 H 6.435 5.120 -4.088 1.00 . A A . 6 LYS HD3 1 1
5 1273 1 1 6 LYS HE2 H 4.413 7.132 -4.177 1.00 . A A . 6 LYS HE2 1 1
5 1274 1 1 6 LYS HE3 H 5.907 8.081 -4.171 1.00 . A A . 6 LYS HE3 1 1
5 1275 1 1 6 LYS HG2 H 4.406 6.394 -2.340 1.00 . A A . 6 LYS HG2 1 1
5 1276 1 1 6 LYS HG3 H 5.690 5.644 -1.396 1.00 . A A . 6 LYS HG3 1 1
5 1277 1 1 6 LYS HZ1 H 6.683 6.331 -5.902 1.00 . A A . 6 LYS HZ1 1 1
5 1278 1 1 6 LYS HZ2 H 5.039 6.042 -6.108 1.00 . A A . 6 LYS HZ2 1 1
5 1279 1 1 6 LYS HZ3 H 5.661 7.581 -6.373 1.00 . A A . 6 LYS HZ3 1 1
5 1280 1 1 6 LYS N N 5.275 3.415 -0.375 1.00 . A A . 6 LYS N 1 1
5 1281 1 1 6 LYS NZ N 5.739 6.731 -5.798 1.00 . A A . 6 LYS NZ 1 1
5 1282 1 1 6 LYS O O 2.181 2.115 -1.447 1.00 . A A . 6 LYS O 1 1
5 1283 1 1 7 GLU C C 3.042 -0.617 -0.548 1.00 . A A . 7 GLU C 1 1
5 1284 1 1 7 GLU CA C 3.687 -0.155 -1.833 1.00 . A A . 7 GLU CA 1 1
5 1285 1 1 7 GLU CB C 4.856 -1.092 -2.249 1.00 . A A . 7 GLU CB 1 1
5 1286 1 1 7 GLU CD C 4.008 -1.554 -4.726 1.00 . A A . 7 GLU CD 1 1
5 1287 1 1 7 GLU CG C 5.162 -1.219 -3.778 1.00 . A A . 7 GLU CG 1 1
5 1288 1 1 7 GLU H H 5.249 1.419 -1.753 1.00 . A A . 7 GLU H 1 1
5 1289 1 1 7 GLU HA H 2.910 -0.162 -2.620 1.00 . A A . 7 GLU HA 1 1
5 1290 1 1 7 GLU HB2 H 5.778 -0.761 -1.735 1.00 . A A . 7 GLU HB2 1 1
5 1291 1 1 7 GLU HB3 H 4.664 -2.102 -1.836 1.00 . A A . 7 GLU HB3 1 1
5 1292 1 1 7 GLU HG2 H 5.612 -0.278 -4.146 1.00 . A A . 7 GLU HG2 1 1
5 1293 1 1 7 GLU HG3 H 5.946 -1.980 -3.949 1.00 . A A . 7 GLU HG3 1 1
5 1294 1 1 7 GLU N N 4.209 1.203 -1.705 1.00 . A A . 7 GLU N 1 1
5 1295 1 1 7 GLU O O 2.168 -1.501 -0.539 1.00 . A A . 7 GLU O 1 1
5 1296 1 1 7 GLU OE1 O 3.531 -2.677 -4.824 1.00 . A A . 7 GLU OE1 1 1
5 1297 1 1 7 GLU OE2 O 3.564 -0.488 -5.448 1.00 . A A . 7 GLU OE2 1 1
5 1298 1 1 8 PHE C C 1.463 0.059 2.004 1.00 . A A . 8 PHE C 1 1
5 1299 1 1 8 PHE CA C 2.899 -0.388 1.871 1.00 . A A . 8 PHE CA 1 1
5 1300 1 1 8 PHE CB C 3.735 0.291 3.001 1.00 . A A . 8 PHE CB 1 1
5 1301 1 1 8 PHE CD1 C 2.457 -1.082 4.736 1.00 . A A . 8 PHE CD1 1 1
5 1302 1 1 8 PHE CD2 C 3.736 0.829 5.480 1.00 . A A . 8 PHE CD2 1 1
5 1303 1 1 8 PHE CE1 C 2.027 -1.297 6.043 1.00 . A A . 8 PHE CE1 1 1
5 1304 1 1 8 PHE CE2 C 3.297 0.619 6.782 1.00 . A A . 8 PHE CE2 1 1
5 1305 1 1 8 PHE CG C 3.311 -0.015 4.445 1.00 . A A . 8 PHE CG 1 1
5 1306 1 1 8 PHE CZ C 2.444 -0.445 7.065 1.00 . A A . 8 PHE CZ 1 1
5 1307 1 1 8 PHE H H 4.233 0.678 0.460 1.00 . A A . 8 PHE H 1 1
5 1308 1 1 8 PHE HA H 2.930 -1.487 1.987 1.00 . A A . 8 PHE HA 1 1
5 1309 1 1 8 PHE HB2 H 4.806 0.035 2.867 1.00 . A A . 8 PHE HB2 1 1
5 1310 1 1 8 PHE HB3 H 3.714 1.390 2.858 1.00 . A A . 8 PHE HB3 1 1
5 1311 1 1 8 PHE HD1 H 2.143 -1.756 3.952 1.00 . A A . 8 PHE HD1 1 1
5 1312 1 1 8 PHE HD2 H 4.432 1.632 5.275 1.00 . A A . 8 PHE HD2 1 1
5 1313 1 1 8 PHE HE1 H 1.360 -2.118 6.262 1.00 . A A . 8 PHE HE1 1 1
5 1314 1 1 8 PHE HE2 H 3.609 1.293 7.568 1.00 . A A . 8 PHE HE2 1 1
5 1315 1 1 8 PHE HZ H 2.099 -0.602 8.076 1.00 . A A . 8 PHE HZ 1 1
5 1316 1 1 8 PHE N N 3.451 -0.036 0.564 1.00 . A A . 8 PHE N 1 1
5 1317 1 1 8 PHE O O 0.599 -0.659 2.528 1.00 . A A . 8 PHE O 1 1
5 1318 1 1 9 GLY C C -1.096 1.150 0.633 1.00 . A A . 9 GLY C 1 1
5 1319 1 1 9 GLY CA C -0.158 1.829 1.602 1.00 . A A . 9 GLY CA 1 1
5 1320 1 1 9 GLY H H 2.021 1.832 1.202 1.00 . A A . 9 GLY H 1 1
5 1321 1 1 9 GLY HA2 H -0.566 1.731 2.627 1.00 . A A . 9 GLY HA2 1 1
5 1322 1 1 9 GLY HA3 H -0.132 2.913 1.376 1.00 . A A . 9 GLY HA3 1 1
5 1323 1 1 9 GLY N N 1.191 1.270 1.556 1.00 . A A . 9 GLY N 1 1
5 1324 1 1 9 GLY O O -2.330 1.235 0.761 1.00 . A A . 9 GLY O 1 1
5 1325 1 1 10 ASN C C -1.760 -1.633 -0.720 1.00 . A A . 10 ASN C 1 1
5 1326 1 1 10 ASN CA C -1.341 -0.306 -1.306 1.00 . A A . 10 ASN CA 1 1
5 1327 1 1 10 ASN CB C -0.510 -0.519 -2.609 1.00 . A A . 10 ASN CB 1 1
5 1328 1 1 10 ASN CG C -1.236 -1.137 -3.807 1.00 . A A . 10 ASN CG 1 1
5 1329 1 1 10 ASN H H 0.503 0.604 -0.485 1.00 . A A . 10 ASN H 1 1
5 1330 1 1 10 ASN HA H -2.271 0.251 -1.534 1.00 . A A . 10 ASN HA 1 1
5 1331 1 1 10 ASN HB2 H -0.107 0.457 -2.946 1.00 . A A . 10 ASN HB2 1 1
5 1332 1 1 10 ASN HB3 H 0.390 -1.123 -2.388 1.00 . A A . 10 ASN HB3 1 1
5 1333 1 1 10 ASN HD21 H -0.358 -2.898 -3.511 1.00 . A A . 10 ASN HD21 1 1
5 1334 1 1 10 ASN HD22 H -1.574 -2.715 -4.889 1.00 . A A . 10 ASN HD22 1 1
5 1335 1 1 10 ASN N N -0.549 0.490 -0.369 1.00 . A A . 10 ASN N 1 1
5 1336 1 1 10 ASN ND2 N -0.978 -2.376 -4.129 1.00 . A A . 10 ASN ND2 1 1
5 1337 1 1 10 ASN O O -2.687 -2.296 -1.217 1.00 . A A . 10 ASN O 1 1
5 1338 1 1 10 ASN OD1 O -2.047 -0.510 -4.473 1.00 . A A . 10 ASN OD1 1 1
5 1339 1 1 11 THR C C -2.640 -2.967 1.976 1.00 . A A . 11 THR C 1 1
5 1340 1 1 11 THR CA C -1.469 -3.265 1.066 1.00 . A A . 11 THR CA 1 1
5 1341 1 1 11 THR CB C -0.258 -3.800 1.902 1.00 . A A . 11 THR CB 1 1
5 1342 1 1 11 THR CG2 C -0.611 -4.578 3.190 1.00 . A A . 11 THR CG2 1 1
5 1343 1 1 11 THR H H -0.206 -1.518 0.573 1.00 . A A . 11 THR H 1 1
5 1344 1 1 11 THR HA H -1.792 -4.046 0.353 1.00 . A A . 11 THR HA 1 1
5 1345 1 1 11 THR HB H 0.378 -2.932 2.183 1.00 . A A . 11 THR HB 1 1
5 1346 1 1 11 THR HG1 H 1.277 -4.942 1.687 1.00 . A A . 11 THR HG1 1 1
5 1347 1 1 11 THR HG21 H -1.243 -5.460 2.977 1.00 . A A . 11 THR HG21 1 1
5 1348 1 1 11 THR HG22 H 0.290 -4.938 3.718 1.00 . A A . 11 THR HG22 1 1
5 1349 1 1 11 THR HG23 H -1.158 -3.954 3.923 1.00 . A A . 11 THR HG23 1 1
5 1350 1 1 11 THR N N -1.081 -2.070 0.322 1.00 . A A . 11 THR N 1 1
5 1351 1 1 11 THR O O -3.631 -3.706 2.047 1.00 . A A . 11 THR O 1 1
5 1352 1 1 11 THR OG1 O 0.520 -4.714 1.140 1.00 . A A . 11 THR OG1 1 1
5 1353 1 1 12 LEU C C -4.905 -1.244 2.810 1.00 . A A . 12 LEU C 1 1
5 1354 1 1 12 LEU CA C -3.603 -1.386 3.566 1.00 . A A . 12 LEU CA 1 1
5 1355 1 1 12 LEU CB C -3.198 -0.027 4.212 1.00 . A A . 12 LEU CB 1 1
5 1356 1 1 12 LEU CD1 C -5.149 -0.364 5.788 1.00 . A A . 12 LEU CD1 1 1
5 1357 1 1 12 LEU CD2 C -3.541 1.511 6.246 1.00 . A A . 12 LEU CD2 1 1
5 1358 1 1 12 LEU CG C -4.218 0.675 5.147 1.00 . A A . 12 LEU CG 1 1
5 1359 1 1 12 LEU H H -1.565 -1.404 2.690 1.00 . A A . 12 LEU H 1 1
5 1360 1 1 12 LEU HA H -3.792 -2.137 4.356 1.00 . A A . 12 LEU HA 1 1
5 1361 1 1 12 LEU HB2 H -2.254 -0.170 4.778 1.00 . A A . 12 LEU HB2 1 1
5 1362 1 1 12 LEU HB3 H -2.925 0.673 3.397 1.00 . A A . 12 LEU HB3 1 1
5 1363 1 1 12 LEU HD11 H -5.689 -0.959 5.026 1.00 . A A . 12 LEU HD11 1 1
5 1364 1 1 12 LEU HD12 H -4.601 -1.079 6.431 1.00 . A A . 12 LEU HD12 1 1
5 1365 1 1 12 LEU HD13 H -5.922 0.115 6.418 1.00 . A A . 12 LEU HD13 1 1
5 1366 1 1 12 LEU HD21 H -2.841 0.912 6.857 1.00 . A A . 12 LEU HD21 1 1
5 1367 1 1 12 LEU HD22 H -2.964 2.349 5.813 1.00 . A A . 12 LEU HD22 1 1
5 1368 1 1 12 LEU HD23 H -4.278 1.969 6.931 1.00 . A A . 12 LEU HD23 1 1
5 1369 1 1 12 LEU HG H -4.842 1.354 4.530 1.00 . A A . 12 LEU HG 1 1
5 1370 1 1 12 LEU N N -2.524 -1.879 2.716 1.00 . A A . 12 LEU N 1 1
5 1371 1 1 12 LEU O O -5.974 -1.677 3.267 1.00 . A A . 12 LEU O 1 1
5 1372 1 1 13 GLU C C -6.629 -1.695 0.379 1.00 . A A . 13 GLU C 1 1
5 1373 1 1 13 GLU CA C -6.041 -0.381 0.841 1.00 . A A . 13 GLU CA 1 1
5 1374 1 1 13 GLU CB C -5.656 0.518 -0.365 1.00 . A A . 13 GLU CB 1 1
5 1375 1 1 13 GLU CD C -4.207 2.725 -0.674 1.00 . A A . 13 GLU CD 1 1
5 1376 1 1 13 GLU CG C -5.444 2.043 -0.084 1.00 . A A . 13 GLU CG 1 1
5 1377 1 1 13 GLU H H -3.877 -0.325 1.328 1.00 . A A . 13 GLU H 1 1
5 1378 1 1 13 GLU HA H -6.797 0.135 1.461 1.00 . A A . 13 GLU HA 1 1
5 1379 1 1 13 GLU HB2 H -4.732 0.117 -0.827 1.00 . A A . 13 GLU HB2 1 1
5 1380 1 1 13 GLU HB3 H -6.425 0.402 -1.154 1.00 . A A . 13 GLU HB3 1 1
5 1381 1 1 13 GLU HG2 H -6.322 2.612 -0.442 1.00 . A A . 13 GLU HG2 1 1
5 1382 1 1 13 GLU HG3 H -5.425 2.229 1.006 1.00 . A A . 13 GLU HG3 1 1
5 1383 1 1 13 GLU N N -4.848 -0.614 1.652 1.00 . A A . 13 GLU N 1 1
5 1384 1 1 13 GLU O O -7.808 -2.009 0.591 1.00 . A A . 13 GLU O 1 1
5 1385 1 1 13 GLU OE1 O -3.876 2.279 -1.918 1.00 . A A . 13 GLU OE1 1 1
5 1386 1 1 13 GLU OE2 O -3.576 3.590 -0.081 1.00 . A A . 13 GLU OE2 1 1
5 1387 1 1 14 ASP C C -6.823 -4.623 0.468 1.00 . A A . 14 ASP C 1 1
5 1388 1 1 14 ASP CA C -6.160 -3.856 -0.655 1.00 . A A . 14 ASP CA 1 1
5 1389 1 1 14 ASP CB C -4.910 -4.602 -1.203 1.00 . A A . 14 ASP CB 1 1
5 1390 1 1 14 ASP CG C -4.784 -4.709 -2.729 1.00 . A A . 14 ASP CG 1 1
5 1391 1 1 14 ASP H H -4.844 -2.079 -0.503 1.00 . A A . 14 ASP H 1 1
5 1392 1 1 14 ASP HA H -6.911 -3.777 -1.460 1.00 . A A . 14 ASP HA 1 1
5 1393 1 1 14 ASP HB2 H -3.979 -4.147 -0.825 1.00 . A A . 14 ASP HB2 1 1
5 1394 1 1 14 ASP HB3 H -4.912 -5.631 -0.798 1.00 . A A . 14 ASP HB3 1 1
5 1395 1 1 14 ASP N N -5.797 -2.501 -0.257 1.00 . A A . 14 ASP N 1 1
5 1396 1 1 14 ASP O O -7.596 -5.570 0.230 1.00 . A A . 14 ASP O 1 1
5 1397 1 1 14 ASP OD1 O -5.149 -3.827 -3.493 1.00 . A A . 14 ASP OD1 1 1
5 1398 1 1 14 ASP OD2 O -4.247 -5.899 -3.135 1.00 . A A . 14 ASP OD2 1 1
5 1399 1 1 15 LYS C C -8.550 -5.140 2.794 1.00 . A A . 15 LYS C 1 1
5 1400 1 1 15 LYS CA C -7.049 -4.983 2.865 1.00 . A A . 15 LYS CA 1 1
5 1401 1 1 15 LYS CB C -6.633 -4.237 4.164 1.00 . A A . 15 LYS CB 1 1
5 1402 1 1 15 LYS CD C -5.771 -6.060 5.799 1.00 . A A . 15 LYS CD 1 1
5 1403 1 1 15 LYS CE C -5.382 -5.712 7.242 1.00 . A A . 15 LYS CE 1 1
5 1404 1 1 15 LYS CG C -5.423 -4.882 4.884 1.00 . A A . 15 LYS CG 1 1
5 1405 1 1 15 LYS H H -5.868 -3.438 1.803 1.00 . A A . 15 LYS H 1 1
5 1406 1 1 15 LYS HA H -6.610 -5.998 2.866 1.00 . A A . 15 LYS HA 1 1
5 1407 1 1 15 LYS HB2 H -6.395 -3.182 3.927 1.00 . A A . 15 LYS HB2 1 1
5 1408 1 1 15 LYS HB3 H -7.499 -4.185 4.856 1.00 . A A . 15 LYS HB3 1 1
5 1409 1 1 15 LYS HD2 H -6.850 -6.293 5.715 1.00 . A A . 15 LYS HD2 1 1
5 1410 1 1 15 LYS HD3 H -5.229 -6.968 5.464 1.00 . A A . 15 LYS HD3 1 1
5 1411 1 1 15 LYS HE2 H -4.280 -5.754 7.368 1.00 . A A . 15 LYS HE2 1 1
5 1412 1 1 15 LYS HE3 H -5.675 -4.673 7.496 1.00 . A A . 15 LYS HE3 1 1
5 1413 1 1 15 LYS HG2 H -4.697 -5.267 4.143 1.00 . A A . 15 LYS HG2 1 1
5 1414 1 1 15 LYS HG3 H -4.877 -4.107 5.457 1.00 . A A . 15 LYS HG3 1 1
5 1415 1 1 15 LYS HZ1 H -6.986 -6.870 7.819 1.00 . A A . 15 LYS HZ1 1 1
5 1416 1 1 15 LYS HZ2 H -5.489 -7.519 8.227 1.00 . A A . 15 LYS HZ2 1 1
5 1417 1 1 15 LYS HZ3 H -6.110 -6.223 9.100 1.00 . A A . 15 LYS HZ3 1 1
5 1418 1 1 15 LYS N N -6.533 -4.262 1.703 1.00 . A A . 15 LYS N 1 1
5 1419 1 1 15 LYS NZ N -6.041 -6.652 8.166 1.00 . A A . 15 LYS NZ 1 1
5 1420 1 1 15 LYS O O -9.102 -6.236 2.982 1.00 . A A . 15 LYS O 1 1
5 1421 1 1 16 ALA C C -11.213 -2.883 1.665 1.00 . A A . 16 ALA C 1 1
5 1422 1 1 16 ALA CA C -10.701 -4.057 2.465 1.00 . A A . 16 ALA CA 1 1
5 1423 1 1 16 ALA CB C -11.241 -4.078 3.906 1.00 . A A . 16 ALA CB 1 1
5 1424 1 1 16 ALA H H -8.675 -3.160 2.384 1.00 . A A . 16 ALA H 1 1
5 1425 1 1 16 ALA HA H -11.020 -4.976 1.938 1.00 . A A . 16 ALA HA 1 1
5 1426 1 1 16 ALA HB1 H -10.886 -4.965 4.464 1.00 . A A . 16 ALA HB1 1 1
5 1427 1 1 16 ALA HB2 H -10.926 -3.186 4.482 1.00 . A A . 16 ALA HB2 1 1
5 1428 1 1 16 ALA HB3 H -12.346 -4.108 3.931 1.00 . A A . 16 ALA HB3 1 1
5 1429 1 1 16 ALA N N -9.242 -4.046 2.540 1.00 . A A . 16 ALA N 1 1
5 1430 1 1 16 ALA O O -12.076 -2.112 2.110 1.00 . A A . 16 ALA O 1 1
5 1431 1 1 17 ARG C C -12.550 -2.050 -0.996 1.00 . A A . 17 ARG C 1 1
5 1432 1 1 17 ARG CA C -11.174 -1.714 -0.469 1.00 . A A . 17 ARG CA 1 1
5 1433 1 1 17 ARG CB C -10.147 -1.567 -1.624 1.00 . A A . 17 ARG CB 1 1
5 1434 1 1 17 ARG CD C -9.682 -0.617 -3.963 1.00 . A A . 17 ARG CD 1 1
5 1435 1 1 17 ARG CG C -10.487 -0.468 -2.666 1.00 . A A . 17 ARG CG 1 1
5 1436 1 1 17 ARG CZ C -10.547 -1.019 -6.274 1.00 . A A . 17 ARG CZ 1 1
5 1437 1 1 17 ARG H H -9.895 -3.389 0.213 1.00 . A A . 17 ARG H 1 1
5 1438 1 1 17 ARG HA H -11.253 -0.758 0.083 1.00 . A A . 17 ARG HA 1 1
5 1439 1 1 17 ARG HB2 H -9.144 -1.349 -1.207 1.00 . A A . 17 ARG HB2 1 1
5 1440 1 1 17 ARG HB3 H -10.028 -2.544 -2.138 1.00 . A A . 17 ARG HB3 1 1
5 1441 1 1 17 ARG HD2 H -8.843 0.108 -3.984 1.00 . A A . 17 ARG HD2 1 1
5 1442 1 1 17 ARG HD3 H -9.234 -1.631 -4.024 1.00 . A A . 17 ARG HD3 1 1
5 1443 1 1 17 ARG HE H -11.330 0.327 -4.991 1.00 . A A . 17 ARG HE 1 1
5 1444 1 1 17 ARG HG2 H -11.565 -0.482 -2.922 1.00 . A A . 17 ARG HG2 1 1
5 1445 1 1 17 ARG HG3 H -10.305 0.537 -2.233 1.00 . A A . 17 ARG HG3 1 1
5 1446 1 1 17 ARG HH11 H -9.034 -2.144 -5.808 1.00 . A A . 17 ARG HH11 1 1
5 1447 1 1 17 ARG HH12 H -9.745 -2.358 -7.498 1.00 . A A . 17 ARG HH12 1 1
5 1448 1 1 17 ARG HH21 H -12.045 0.040 -6.832 1.00 . A A . 17 ARG HH21 1 1
5 1449 1 1 17 ARG HH22 H -11.382 -1.173 -8.061 1.00 . A A . 17 ARG HH22 1 1
5 1450 1 1 17 ARG N N -10.699 -2.737 0.458 1.00 . A A . 17 ARG N 1 1
5 1451 1 1 17 ARG NE N -10.596 -0.386 -5.110 1.00 . A A . 17 ARG NE 1 1
5 1452 1 1 17 ARG NH1 N -9.683 -1.944 -6.570 1.00 . A A . 17 ARG NH1 1 1
5 1453 1 1 17 ARG NH2 N -11.415 -0.692 -7.164 1.00 . A A . 17 ARG NH2 1 1
5 1454 1 1 17 ARG O O -13.405 -1.176 -1.194 1.00 . A A . 17 ARG O 1 1
5 1455 1 1 18 GLU C C -14.421 -2.963 -3.014 1.00 . A A . 18 GLU C 1 1
5 1456 1 1 18 GLU CA C -14.028 -3.809 -1.825 1.00 . A A . 18 GLU CA 1 1
5 1457 1 1 18 GLU CB C -15.150 -3.821 -0.747 1.00 . A A . 18 GLU CB 1 1
5 1458 1 1 18 GLU CD C -16.015 -2.896 1.589 1.00 . A A . 18 GLU CD 1 1
5 1459 1 1 18 GLU CG C -15.099 -2.729 0.373 1.00 . A A . 18 GLU CG 1 1
5 1460 1 1 18 GLU H H -12.010 -4.001 -0.936 1.00 . A A . 18 GLU H 1 1
5 1461 1 1 18 GLU HA H -13.862 -4.840 -2.192 1.00 . A A . 18 GLU HA 1 1
5 1462 1 1 18 GLU HB2 H -16.130 -3.747 -1.258 1.00 . A A . 18 GLU HB2 1 1
5 1463 1 1 18 GLU HB3 H -15.168 -4.821 -0.270 1.00 . A A . 18 GLU HB3 1 1
5 1464 1 1 18 GLU HG2 H -14.068 -2.640 0.762 1.00 . A A . 18 GLU HG2 1 1
5 1465 1 1 18 GLU HG3 H -15.317 -1.733 -0.055 1.00 . A A . 18 GLU HG3 1 1
5 1466 1 1 18 GLU N N -12.792 -3.329 -1.214 1.00 . A A . 18 GLU N 1 1
5 1467 1 1 18 GLU O O -15.636 -2.773 -3.332 1.00 . A A . 18 GLU O 1 1
5 1468 1 1 18 GLU OXT O -13.464 -2.453 -3.675 1.00 . A A . 18 GLU OXT 1 1
5 1469 1 1 18 GLU OE1 O -17.271 -2.406 1.400 1.00 . A A . 18 GLU OE1 1 1
5 1470 1 1 18 GLU OE2 O -15.648 -3.422 2.632 1.00 . A A . 18 GLU OE2 1 1
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