NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
650032 |
6nm2   |
30557 | cing | 4-filtered-FRED | STAR | entry | full | 215 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6nm2
# This FRED archive file contains, for PDB entry <6nm2>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6nm2
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6nm2
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1275.57
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 $WW291_peptide A . 1 1
stop_
save_
save_WW291_peptide
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "WW291 peptide"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code WWWLRKIWX
_Entity.Number_of_monomers 9
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 TRP . 1 1
2 TRP . 1 1
3 TRP . 1 1
4 LEU . 1 1
5 ARG . 1 1
6 LYS . 1 1
7 ILE . 1 1
8 TRP . 1 1
9 NH2 $NH2 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
TRP 1 1 1 1
TRP 2 2 1 1
TRP 3 3 1 1
LEU 4 4 1 1
ARG 5 5 1 1
LYS 6 6 1 1
ILE 7 7 1 1
TRP 8 8 1 1
NH2 9 9 1 1
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
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
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 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 TRP HA . 1 . HA 1 1
1 1 2 1 1 1 TRP HD1 . 1 . HD1 1 1
2 1 1 1 1 1 TRP HA . 1 . HA 1 1
2 1 2 1 1 1 TRP HE1 . 1 . HE1 1 1
3 1 1 1 1 1 TRP HA . 1 . HA 1 1
3 1 2 1 1 1 TRP HZ3 . 1 . HZ3 1 1
4 1 1 1 1 1 TRP HA . 1 . HA 1 1
4 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1
5 1 1 1 1 1 TRP HA . 1 . HA 1 1
5 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
6 1 1 1 1 1 TRP HA . 1 . HA 1 1
6 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
7 1 1 1 1 1 TRP QB . 1 . HB# 1 1
7 1 2 1 1 1 TRP HZ3 . 1 . HZ3 1 1
8 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
8 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
9 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
9 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
10 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
10 1 2 1 1 4 LEU H . 4 . HN 1 1
11 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
11 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
12 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
12 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
13 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
13 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
14 1 1 1 1 1 TRP HB2 . 1 . HB2 1 1
14 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
15 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
15 1 2 1 1 3 TRP H . 3 . HN 1 1
16 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
16 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
17 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
17 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
18 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
18 1 2 1 1 3 TRP HZ2 . 3 . HZ2 1 1
19 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
19 1 2 1 1 4 LEU H . 4 . HN 1 1
20 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
20 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
21 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
21 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
22 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
22 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
23 1 1 1 1 1 TRP HB3 . 1 . HB1 1 1
23 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
24 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
24 1 2 1 1 3 TRP H . 3 . HN 1 1
25 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
25 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
26 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
26 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
27 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
27 1 2 1 1 4 LEU H . 4 . HN 1 1
28 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
28 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
29 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
29 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
30 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1
30 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
31 1 1 1 1 1 TRP HE3 . 1 . HE3 1 1
31 1 2 1 1 2 TRP HA . 2 . HA 1 1
32 1 1 1 1 1 TRP HE3 . 1 . HE3 1 1
32 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
33 1 1 1 1 1 TRP HE3 . 1 . HE3 1 1
33 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
34 1 1 1 1 1 TRP HZ3 . 1 . HZ3 1 1
34 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
35 1 1 1 1 1 TRP HZ3 . 1 . HZ3 1 1
35 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
36 1 1 1 1 1 TRP HZ3 . 1 . HZ3 1 1
36 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
37 1 1 1 1 2 TRP HA . 2 . HA 1 1
37 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1
38 1 1 1 1 2 TRP HA . 2 . HA 1 1
38 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1
39 1 1 1 1 2 TRP HA . 2 . HA 1 1
39 1 2 1 1 3 TRP H . 3 . HN 1 1
40 1 1 1 1 2 TRP HA . 2 . HA 1 1
40 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
41 1 1 1 1 2 TRP HA . 2 . HA 1 1
41 1 2 1 1 4 LEU H . 4 . HN 1 1
42 1 1 1 1 2 TRP HA . 2 . HA 1 1
42 1 2 1 1 5 ARG H . 5 . HN 1 1
43 1 1 1 1 2 TRP HA . 2 . HA 1 1
43 1 2 1 1 5 ARG HB2 . 5 . HB2 1 1
44 1 1 1 1 2 TRP HA . 2 . HA 1 1
44 1 2 1 1 5 ARG QG . 5 . HG# 1 1
45 1 1 1 1 2 TRP QB . 2 . HB# 1 1
45 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1
46 1 1 1 1 2 TRP QB . 2 . HB# 1 1
46 1 2 1 1 3 TRP H . 3 . HN 1 1
47 1 1 1 1 2 TRP HB2 . 2 . HB2 1 1
47 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1
48 1 1 1 1 2 TRP HB2 . 2 . HB2 1 1
48 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
49 1 1 1 1 2 TRP HB3 . 2 . HB1 1 1
49 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1
50 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1
50 1 2 1 1 3 TRP H . 3 . HN 1 1
51 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1
51 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
52 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1
52 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
53 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1
53 1 2 1 1 4 LEU H . 4 . HN 1 1
54 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1
54 1 2 1 1 3 TRP H . 3 . HN 1 1
55 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1
55 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
56 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1
56 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
57 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1
57 1 2 1 1 4 LEU H . 4 . HN 1 1
58 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
58 1 2 1 1 3 TRP QB . 3 . HB# 1 1
59 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
59 1 2 1 1 5 ARG QD . 5 . HD# 1 1
60 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
60 1 2 1 1 5 ARG QG . 5 . HG# 1 1
61 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
61 1 2 1 1 6 LYS QB . 6 . HB# 1 1
62 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
62 1 2 1 1 6 LYS QD . 6 . HD# 1 1
63 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
63 1 2 1 1 6 LYS QE . 6 . HE# 1 1
64 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1
64 1 2 1 1 6 LYS QG . 6 . HG# 1 1
65 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
65 1 2 1 1 3 TRP HA . 3 . HA 1 1
66 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
66 1 2 1 1 3 TRP HB2 . 3 . HB2 1 1
67 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
67 1 2 1 1 3 TRP HB3 . 3 . HB1 1 1
68 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
68 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
69 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
69 1 2 1 1 6 LYS QD . 6 . HD# 1 1
70 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1
70 1 2 1 1 6 LYS QE . 6 . HE# 1 1
71 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1
71 1 2 1 1 3 TRP QB . 3 . HB# 1 1
72 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1
72 1 2 1 1 3 TRP HB3 . 3 . HB1 1 1
73 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1
73 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
74 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1
74 1 2 1 1 6 LYS QE . 6 . HE# 1 1
75 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
75 1 2 1 1 3 TRP HA . 3 . HA 1 1
76 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
76 1 2 1 1 3 TRP QB . 3 . HB# 1 1
77 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
77 1 2 1 1 6 LYS QB . 6 . HB# 1 1
78 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
78 1 2 1 1 6 LYS QD . 6 . HD# 1 1
79 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
79 1 2 1 1 6 LYS QE . 6 . HE# 1 1
80 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1
80 1 2 1 1 6 LYS QG . 6 . HG# 1 1
81 1 1 1 1 3 TRP H . 3 . HN 1 1
81 1 2 1 1 3 TRP HB2 . 3 . HB2 1 1
82 1 1 1 1 3 TRP H . 3 . HN 1 1
82 1 2 1 1 3 TRP HB3 . 3 . HB1 1 1
83 1 1 1 1 3 TRP H . 3 . HN 1 1
83 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
84 1 1 1 1 3 TRP H . 3 . HN 1 1
84 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
85 1 1 1 1 3 TRP H . 3 . HN 1 1
85 1 2 1 1 3 TRP HZ2 . 3 . HZ2 1 1
86 1 1 1 1 3 TRP H . 3 . HN 1 1
86 1 2 1 1 4 LEU H . 4 . HN 1 1
87 1 1 1 1 3 TRP H . 3 . HN 1 1
87 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
88 1 1 1 1 3 TRP H . 3 . HN 1 1
88 1 2 1 1 5 ARG H . 5 . HN 1 1
89 1 1 1 1 3 TRP HA . 3 . HA 1 1
89 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
90 1 1 1 1 3 TRP HA . 3 . HA 1 1
90 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
91 1 1 1 1 3 TRP HA . 3 . HA 1 1
91 1 2 1 1 3 TRP HE3 . 3 . HE3 1 1
92 1 1 1 1 3 TRP HA . 3 . HA 1 1
92 1 2 1 1 5 ARG H . 5 . HN 1 1
93 1 1 1 1 3 TRP HA . 3 . HA 1 1
93 1 2 1 1 6 LYS H . 6 . HN 1 1
94 1 1 1 1 3 TRP HA . 3 . HA 1 1
94 1 2 1 1 6 LYS QB . 6 . HB# 1 1
95 1 1 1 1 3 TRP HA . 3 . HA 1 1
95 1 2 1 1 6 LYS QD . 6 . HD# 1 1
96 1 1 1 1 3 TRP HA . 3 . HA 1 1
96 1 2 1 1 6 LYS QE . 6 . HE# 1 1
97 1 1 1 1 3 TRP HA . 3 . HA 1 1
97 1 2 1 1 6 LYS QG . 6 . HG# 1 1
98 1 1 1 1 3 TRP QB . 3 . HB# 1 1
98 1 2 1 1 3 TRP HE1 . 3 . HE1 1 1
99 1 1 1 1 3 TRP HB2 . 3 . HB2 1 1
99 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
100 1 1 1 1 3 TRP HB2 . 3 . HB2 1 1
100 1 2 1 1 3 TRP HZ3 . 3 . HZ3 1 1
101 1 1 1 1 3 TRP HB2 . 3 . HB2 1 1
101 1 2 1 1 4 LEU H . 4 . HN 1 1
102 1 1 1 1 3 TRP HB3 . 3 . HB1 1 1
102 1 2 1 1 3 TRP HD1 . 3 . HD1 1 1
103 1 1 1 1 3 TRP HB3 . 3 . HB1 1 1
103 1 2 1 1 3 TRP HZ3 . 3 . HZ3 1 1
104 1 1 1 1 3 TRP HB3 . 3 . HB1 1 1
104 1 2 1 1 4 LEU H . 4 . HN 1 1
105 1 1 1 1 3 TRP HD1 . 3 . HD1 1 1
105 1 2 1 1 4 LEU H . 4 . HN 1 1
106 1 1 1 1 3 TRP HD1 . 3 . HD1 1 1
106 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
107 1 1 1 1 3 TRP HD1 . 3 . HD1 1 1
107 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
108 1 1 1 1 3 TRP HD1 . 3 . HD1 1 1
108 1 2 1 1 6 LYS QE . 6 . HE# 1 1
109 1 1 1 1 3 TRP HE1 . 3 . HE1 1 1
109 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
110 1 1 1 1 3 TRP HE1 . 3 . HE1 1 1
110 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
111 1 1 1 1 3 TRP HE1 . 3 . HE1 1 1
111 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
112 1 1 1 1 3 TRP HE1 . 3 . HE1 1 1
112 1 2 1 1 7 ILE HB . 7 . HB# 1 1
113 1 1 1 1 3 TRP HE3 . 3 . HE3 1 1
113 1 2 1 1 4 LEU QB . 4 . HB# 1 1
114 1 1 1 1 3 TRP HE3 . 3 . HE3 1 1
114 1 2 1 1 4 LEU QD . 4 . HD* 1 1
115 1 1 1 1 3 TRP HZ2 . 3 . HZ2 1 1
115 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
116 1 1 1 1 3 TRP HZ2 . 3 . HZ2 1 1
116 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
117 1 1 1 1 3 TRP HZ2 . 3 . HZ2 1 1
117 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
118 1 1 1 1 3 TRP HZ3 . 3 . HZ3 1 1
118 1 2 1 1 4 LEU HA . 4 . HA 1 1
119 1 1 1 1 3 TRP HZ3 . 3 . HZ3 1 1
119 1 2 1 1 4 LEU QB . 4 . HB# 1 1
120 1 1 1 1 3 TRP HZ3 . 3 . HZ3 1 1
120 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
121 1 1 1 1 3 TRP HZ3 . 3 . HZ3 1 1
121 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
122 1 1 1 1 4 LEU H . 4 . HN 1 1
122 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
123 1 1 1 1 4 LEU H . 4 . HN 1 1
123 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
124 1 1 1 1 4 LEU H . 4 . HN 1 1
124 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
125 1 1 1 1 4 LEU H . 4 . HN 1 1
125 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
126 1 1 1 1 4 LEU H . 4 . HN 1 1
126 1 2 1 1 5 ARG H . 5 . HN 1 1
127 1 1 1 1 4 LEU H . 4 . HN 1 1
127 1 2 1 1 5 ARG HB2 . 5 . HB2 1 1
128 1 1 1 1 4 LEU H . 4 . HN 1 1
128 1 2 1 1 5 ARG QG . 5 . HG# 1 1
129 1 1 1 1 4 LEU H . 4 . HN 1 1
129 1 2 1 1 6 LYS H . 6 . HN 1 1
130 1 1 1 1 4 LEU HA . 4 . HA 1 1
130 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
131 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
131 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
132 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
132 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
133 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
133 1 2 1 1 5 ARG H . 5 . HN 1 1
134 1 1 1 1 4 LEU HB3 . 4 . HB1 1 1
134 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1
135 1 1 1 1 4 LEU HB3 . 4 . HB1 1 1
135 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1
136 1 1 1 1 4 LEU HB3 . 4 . HB1 1 1
136 1 2 1 1 5 ARG H . 5 . HN 1 1
137 1 1 1 1 4 LEU MD1 . 4 . HD1* 1 1
137 1 1 1 1 7 ILE MD . 7 . HD1# 1 1
137 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
138 1 1 1 1 4 LEU MD2 . 4 . HD2# 1 1
138 1 2 1 1 5 ARG H . 5 . HN 1 1
139 1 1 1 1 4 LEU MD2 . 4 . HD2* 1 1
139 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
139 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
140 1 1 1 1 5 ARG H . 5 . HN 1 1
140 1 2 1 1 5 ARG HB2 . 5 . HB2 1 1
141 1 1 1 1 5 ARG H . 5 . HN 1 1
141 1 2 1 1 5 ARG HB3 . 5 . HB1 1 1
142 1 1 1 1 5 ARG H . 5 . HN 1 1
142 1 2 1 1 5 ARG QG . 5 . HG# 1 1
143 1 1 1 1 5 ARG H . 5 . HN 1 1
143 1 2 1 1 6 LYS H . 6 . HN 1 1
144 1 1 1 1 5 ARG HA . 5 . HA 1 1
144 1 2 1 1 5 ARG QD . 5 . HD# 1 1
145 1 1 1 1 5 ARG HA . 5 . HA 1 1
145 1 2 1 1 5 ARG QG . 5 . HG# 1 1
146 1 1 1 1 5 ARG HA . 5 . HA 1 1
146 1 2 1 1 6 LYS H . 6 . HN 1 1
147 1 1 1 1 5 ARG HA . 5 . HA 1 1
147 1 2 1 1 8 TRP HB3 . 8 . HB1 1 1
148 1 1 1 1 5 ARG HA . 5 . HA 1 1
148 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
149 1 1 1 1 5 ARG HA . 5 . HA 1 1
149 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
150 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1
150 1 2 1 1 5 ARG QD . 5 . HD# 1 1
151 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1
151 1 2 1 1 5 ARG QD . 5 . HD# 1 1
152 1 1 1 1 5 ARG QD . 5 . HD# 1 1
152 1 2 1 1 6 LYS H . 6 . HN 1 1
153 1 1 1 1 5 ARG QG . 5 . HG# 1 1
153 1 2 1 1 6 LYS H . 6 . HN 1 1
154 1 1 1 1 5 ARG QG . 5 . HG# 1 1
154 1 2 1 1 6 LYS HA . 6 . HA 1 1
155 1 1 1 1 6 LYS H . 6 . HN 1 1
155 1 2 1 1 6 LYS QB . 6 . HB# 1 1
156 1 1 1 1 6 LYS H . 6 . HN 1 1
156 1 2 1 1 6 LYS QD . 6 . HD# 1 1
157 1 1 1 1 6 LYS H . 6 . HN 1 1
157 1 2 1 1 6 LYS QE . 6 . HE# 1 1
158 1 1 1 1 6 LYS H . 6 . HN 1 1
158 1 2 1 1 6 LYS QG . 6 . HG# 1 1
159 1 1 1 1 6 LYS H . 6 . HN 1 1
159 1 2 1 1 7 ILE H . 7 . HN 1 1
160 1 1 1 1 6 LYS H . 6 . HN 1 1
160 1 2 1 1 7 ILE QG . 7 . HG1# 1 1
161 1 1 1 1 6 LYS H . 6 . HN 1 1
161 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
162 1 1 1 1 6 LYS HA . 6 . HA 1 1
162 1 2 1 1 6 LYS QB . 6 . HB# 1 1
163 1 1 1 1 6 LYS HA . 6 . HA 1 1
163 1 2 1 1 6 LYS QD . 6 . HD# 1 1
164 1 1 1 1 6 LYS HA . 6 . HA 1 1
164 1 2 1 1 6 LYS QG . 6 . HG# 1 1
165 1 1 1 1 6 LYS HA . 6 . HA 1 1
165 1 2 1 1 7 ILE H . 7 . HN 1 1
166 1 1 1 1 6 LYS HA . 6 . HA 1 1
166 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
167 1 1 1 1 6 LYS HA . 6 . HA 1 1
167 1 2 1 1 8 TRP H . 8 . HN 1 1
168 1 1 1 1 6 LYS QB . 6 . HB# 1 1
168 1 2 1 1 6 LYS QE . 6 . HE# 1 1
169 1 1 1 1 6 LYS QB . 6 . HB# 1 1
169 1 2 1 1 7 ILE H . 7 . HN 1 1
170 1 1 1 1 6 LYS QD . 6 . HD# 1 1
170 1 2 1 1 7 ILE H . 7 . HN 1 1
171 1 1 1 1 6 LYS QD . 6 . HD# 1 1
171 1 2 1 1 7 ILE HA . 7 . HA 1 1
172 1 1 1 1 6 LYS QE . 6 . HE# 1 1
172 1 2 1 1 6 LYS QG . 6 . HG# 1 1
173 1 1 1 1 6 LYS QG . 6 . HG# 1 1
173 1 2 1 1 7 ILE H . 7 . HN 1 1
174 1 1 1 1 7 ILE H . 7 . HN 1 1
174 1 2 1 1 7 ILE HB . 7 . HB 1 1
175 1 1 1 1 7 ILE H . 7 . HN 1 1
175 1 2 1 1 7 ILE MD . 7 . HD1# 1 1
176 1 1 1 1 7 ILE H . 7 . HN 1 1
176 1 2 1 1 7 ILE QG . 7 . HG1# 1 1
177 1 1 1 1 7 ILE H . 7 . HN 1 1
177 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
178 1 1 1 1 7 ILE H . 7 . HN 1 1
178 1 2 1 1 8 TRP H . 8 . HN 1 1
179 1 1 1 1 7 ILE H . 7 . HN 1 1
179 1 2 1 1 8 TRP HA . 8 . HA 1 1
180 1 1 1 1 7 ILE HA . 7 . HA 1 1
180 1 2 1 1 7 ILE MD . 7 . HD1# 1 1
181 1 1 1 1 7 ILE HA . 7 . HA 1 1
181 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1
182 1 1 1 1 7 ILE HA . 7 . HA 1 1
182 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
183 1 1 1 1 7 ILE HB . 7 . HB 1 1
183 1 2 1 1 7 ILE MD . 7 . HD1# 1 1
184 1 1 1 1 7 ILE HB . 7 . HB 1 1
184 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
185 1 1 1 1 7 ILE HB . 7 . HB 1 1
185 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
186 1 1 1 1 7 ILE MD . 7 . HD1# 1 1
186 1 2 1 1 8 TRP HB2 . 8 . HB2 1 1
187 1 1 1 1 7 ILE MD . 7 . HD1# 1 1
187 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
188 1 1 1 1 7 ILE MD . 7 . HD1# 1 1
188 1 2 1 1 8 TRP HE3 . 8 . HE3 1 1
189 1 1 1 1 7 ILE MD . 7 . HD1# 1 1
189 1 2 1 1 8 TRP HZ2 . 8 . HZ2 1 1
190 1 1 1 1 7 ILE QG . 7 . HG1# 1 1
190 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
191 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1
191 1 2 1 1 8 TRP HH2 . 8 . HH2 1 1
192 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
192 1 2 1 1 8 TRP H . 8 . HN 1 1
193 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
193 1 2 1 1 8 TRP HA . 8 . HA 1 1
194 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
194 1 2 1 1 8 TRP QB . 8 . HB# 1 1
195 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
195 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
196 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
196 1 2 1 1 8 TRP HZ2 . 8 . HZ2 1 1
197 1 1 1 1 8 TRP H . 8 . HN 1 1
197 1 2 1 1 8 TRP QB . 8 . HB# 1 1
198 1 1 1 1 8 TRP HA . 8 . HA 1 1
198 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
199 1 1 1 1 8 TRP HA . 8 . HA 1 1
199 1 2 1 1 8 TRP HE3 . 8 . HE3 1 1
200 1 1 1 1 8 TRP HA . 8 . HA 1 1
200 1 2 1 1 8 TRP HZ3 . 8 . HZ3 1 1
201 1 1 1 1 8 TRP QB . 8 . HB# 1 1
201 1 2 1 1 8 TRP HE3 . 8 . HE3 1 1
202 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1
202 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
203 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1
203 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
204 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1
204 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1
205 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1
205 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.8 1 1
2 1 . . . . . 4.0 1.8 6.0 1 1
3 1 . . . . . 4.0 1.8 6.0 1 1
4 1 . . . . . 4.0 1.8 6.0 1 1
5 1 . . . . . 4.0 1.8 5.0 1 1
6 1 . . . . . 4.0 1.8 6.0 1 1
7 1 . . . . . 4.0 1.8 6.0 1 1
8 1 . . . . . 4.0 1.8 6.0 1 1
9 1 . . . . . 4.0 1.8 5.0 1 1
10 1 . . . . . 4.0 1.8 5.0 1 1
11 1 . . . . . 4.0 1.8 5.0 1 1
12 1 . . . . . 4.0 1.8 6.0 1 1
13 1 . . . . . 4.0 1.8 5.5 1 1
14 1 . . . . . 3.0 1.8 4.8 1 1
15 1 . . . . . 4.0 1.8 5.0 1 1
16 1 . . . . . 4.0 1.8 6.0 1 1
17 1 . . . . . 4.0 1.8 6.0 1 1
18 1 . . . . . 4.0 1.8 5.0 1 1
19 1 . . . . . 4.0 1.8 5.0 1 1
20 1 . . . . . 3.0 1.8 4.3 1 1
21 1 . . . . . 4.0 1.8 6.0 1 1
22 1 . . . . . 4.0 1.8 6.5 1 1
23 1 . . . . . 3.0 1.8 4.8 1 1
24 1 . . . . . 4.0 1.8 5.0 1 1
25 1 . . . . . 4.0 1.8 5.0 1 1
26 1 . . . . . 4.0 1.8 6.0 1 1
27 1 . . . . . 4.0 1.8 5.0 1 1
28 1 . . . . . 4.0 1.8 5.0 1 1
29 1 . . . . . 4.0 1.8 6.5 1 1
30 1 . . . . . 4.0 1.8 5.5 1 1
31 1 . . . . . 4.0 1.8 6.0 1 1
32 1 . . . . . 4.0 1.8 6.0 1 1
33 1 . . . . . 3.0 1.8 3.8 1 1
34 1 . . . . . 3.0 1.8 5.0 1 1
35 1 . . . . . 4.0 1.8 5.0 1 1
36 1 . . . . . 3.0 1.8 3.8 1 1
37 1 . . . . . 3.0 1.8 4.2 1 1
38 1 . . . . . 3.0 1.8 3.8 1 1
39 1 . . . . . 3.0 1.8 3.5 1 1
40 1 . . . . . 4.0 1.8 5.0 1 1
41 1 . . . . . 4.0 1.8 5.0 1 1
42 1 . . . . . 3.0 1.8 3.5 1 1
43 1 . . . . . 4.0 1.8 6.0 1 1
44 1 . . . . . 4.0 1.8 5.5 1 1
45 1 . . . . . 4.0 1.8 6.0 1 1
46 1 . . . . . 3.0 1.8 4.8 1 1
47 1 . . . . . 3.0 1.8 3.8 1 1
48 1 . . . . . 4.0 1.8 6.0 1 1
49 1 . . . . . 3.0 1.8 3.8 1 1
50 1 . . . . . 3.0 1.8 3.8 1 1
51 1 . . . . . 3.0 1.8 3.3 1 1
52 1 . . . . . 4.0 1.8 6.0 1 1
53 1 . . . . . 4.0 1.8 6.0 1 1
54 1 . . . . . 3.0 1.8 3.8 1 1
55 1 . . . . . 3.0 1.8 3.3 1 1
56 1 . . . . . 4.0 1.8 6.0 1 1
57 1 . . . . . 4.0 1.8 6.0 1 1
58 1 . . . . . 4.0 1.8 4.8 1 1
59 1 . . . . . 4.0 1.8 5.5 1 1
60 1 . . . . . 4.0 1.8 6.5 1 1
61 1 . . . . . 3.0 1.8 4.8 1 1
62 1 . . . . . 3.0 1.8 4.8 1 1
63 1 . . . . . 3.0 1.8 4.8 1 1
64 1 . . . . . 3.0 1.8 4.8 1 1
65 1 . . . . . 4.0 1.8 5.0 1 1
66 1 . . . . . 4.0 1.8 5.0 1 1
67 1 . . . . . 4.0 1.8 6.0 1 1
68 1 . . . . . 4.0 1.8 5.0 1 1
69 1 . . . . . 4.0 1.8 6.5 1 1
70 1 . . . . . 4.0 1.8 5.5 1 1
71 1 . . . . . 3.0 1.8 4.8 1 1
72 1 . . . . . 4.0 1.8 5.0 1 1
73 1 . . . . . 3.0 1.8 3.8 1 1
74 1 . . . . . 4.0 1.8 5.5 1 1
75 1 . . . . . 3.0 1.8 3.8 1 1
76 1 . . . . . 3.0 1.8 4.8 1 1
77 1 . . . . . 4.0 1.8 6.0 1 1
78 1 . . . . . 3.0 1.8 4.8 1 1
79 1 . . . . . 3.0 1.8 4.8 1 1
80 1 . . . . . 3.0 1.8 4.8 1 1
81 1 . . . . . 3.0 1.8 3.8 1 1
82 1 . . . . . 3.0 1.8 3.8 1 1
83 1 . . . . . 4.0 1.8 5.0 1 1
84 1 . . . . . . 1.8 3.8 1 1
85 1 . . . . . 4.0 1.8 6.0 1 1
86 1 . . . . . 3.0 1.8 3.8 1 1
87 1 . . . . . 4.0 1.8 5.0 1 1
88 1 . . . . . 4.0 1.8 5.0 1 1
89 1 . . . . . 3.0 1.8 3.8 1 1
90 1 . . . . . 4.0 1.8 6.0 1 1
91 1 . . . . . 3.0 1.8 4.3 1 1
92 1 . . . . . 4.0 1.8 5.0 1 1
93 1 . . . . . 3.0 1.8 3.8 1 1
94 1 . . . . . 3.0 1.8 4.8 1 1
95 1 . . . . . 4.0 1.8 5.5 1 1
96 1 . . . . . 4.0 1.8 5.5 1 1
97 1 . . . . . 3.0 1.8 4.8 1 1
98 1 . . . . . 4.0 1.8 4.8 1 1
99 1 . . . . . 3.0 1.8 4.8 1 1
100 1 . . . . . 4.0 1.8 6.0 1 1
101 1 . . . . . 4.0 1.8 5.0 1 1
102 1 . . . . . 3.0 1.8 4.8 1 1
103 1 . . . . . 4.0 1.8 6.0 1 1
104 1 . . . . . 4.0 1.8 5.0 1 1
105 1 . . . . . 4.0 1.8 5.0 1 1
106 1 . . . . . 4.0 1.8 5.0 1 1
107 1 . . . . . 4.0 1.8 7.0 1 1
108 1 . . . . . 4.0 1.8 7.0 1 1
109 1 . . . . . 4.0 1.8 6.0 1 1
110 1 . . . . . 4.0 1.8 6.5 1 1
111 1 . . . . . 4.0 1.8 5.5 1 1
112 1 . . . . . 4.0 1.8 8.0 1 1
113 1 . . . . . 4.0 1.8 6.0 1 1
114 1 . . . . . 3.0 1.8 5.8 1 1
115 1 . . . . . 4.0 1.8 6.0 1 1
116 1 . . . . . 3.0 1.8 4.8 1 1
117 1 . . . . . 4.0 1.8 6.5 1 1
118 1 . . . . . 3.0 1.8 3.8 1 1
119 1 . . . . . 4.0 1.8 6.0 1 1
120 1 . . . . . 3.0 1.8 4.8 1 1
121 1 . . . . . 3.0 1.8 5.3 1 1
122 1 . . . . . 2.5 1.8 3.9 1 1
123 1 . . . . . 3.0 1.8 4.8 1 1
124 1 . . . . . 3.0 1.8 5.5 1 1
125 1 . . . . . 3.0 1.8 5.5 1 1
126 1 . . . . . 2.5 1.8 2.9 1 1
127 1 . . . . . 4.0 1.8 6.0 1 1
128 1 . . . . . 4.0 1.8 6.0 1 1
129 1 . . . . . 4.0 1.8 5.0 1 1
130 1 . . . . . 2.5 1.8 4.2 1 1
131 1 . . . . . 2.5 1.8 4.2 1 1
132 1 . . . . . 2.5 1.8 4.2 1 1
133 1 . . . . . 3.0 1.8 3.8 1 1
134 1 . . . . . 2.5 1.8 4.2 1 1
135 1 . . . . . 2.5 1.8 4.2 1 1
136 1 . . . . . 3.0 1.8 4.8 1 1
137 1 . . . . . 3.0 1.8 4.8 1 1
138 1 . . . . . 3.0 1.8 5.5 1 1
139 1 . . . . . 2.5 1.8 4.2 1 1
140 1 . . . . . 2.5 1.8 3.9 1 1
141 1 . . . . . 2.5 1.8 3.9 1 1
142 1 . . . . . 2.5 1.8 4.4 1 1
143 1 . . . . . 2.5 1.8 2.9 1 1
144 1 . . . . . 3.0 1.8 4.8 1 1
145 1 . . . . . 2.5 1.8 4.2 1 1
146 1 . . . . . 3.0 1.8 3.8 1 1
147 1 . . . . . 3.0 1.8 3.8 1 1
148 1 . . . . . 3.0 1.8 3.8 1 1
149 1 . . . . . 4.0 1.8 6.0 1 1
150 1 . . . . . 3.0 1.8 4.8 1 1
151 1 . . . . . 3.0 1.8 4.8 1 1
152 1 . . . . . 4.0 1.8 5.5 1 1
153 1 . . . . . 3.0 1.8 5.0 1 1
154 1 . . . . . 4.0 1.8 6.5 1 1
155 1 . . . . . 2.5 1.8 4.4 1 1
156 1 . . . . . 3.0 1.8 5.0 1 1
157 1 . . . . . 4.0 1.8 6.5 1 1
158 1 . . . . . 2.5 1.8 4.4 1 1
159 1 . . . . . 2.5 1.8 2.9 1 1
160 1 . . . . . 4.0 1.8 7.0 1 1
161 1 . . . . . 4.0 1.8 7.5 1 1
162 1 . . . . . 2.5 1.8 3.8 1 1
163 1 . . . . . 3.0 1.8 4.8 1 1
164 1 . . . . . 3.0 1.8 4.8 1 1
165 1 . . . . . 3.0 1.8 3.8 1 1
166 1 . . . . . 4.0 1.8 6.5 1 1
167 1 . . . . . 4.0 1.8 5.0 1 1
168 1 . . . . . 3.0 1.8 4.3 1 1
169 1 . . . . . 3.0 1.8 4.8 1 1
170 1 . . . . . 4.0 1.8 6.5 1 1
171 1 . . . . . 4.0 1.8 5.5 1 1
172 1 . . . . . 3.0 1.8 5.3 1 1
173 1 . . . . . 3.0 1.8 5.0 1 1
174 1 . . . . . 2.5 1.8 3.4 1 1
175 1 . . . . . 3.0 1.8 5.5 1 1
176 1 . . . . . 3.0 1.8 4.8 1 1
177 1 . . . . . 3.0 1.8 4.5 1 1
178 1 . . . . . 2.5 1.8 2.9 1 1
179 1 . . . . . 4.0 1.8 5.0 1 1
180 1 . . . . . 2.5 1.8 5.2 1 1
181 1 . . . . . 3.0 1.8 3.8 1 1
182 1 . . . . . 2.5 1.8 4.2 1 1
183 1 . . . . . 2.5 1.8 4.2 1 1
184 1 . . . . . 4.0 1.8 6.0 1 1
185 1 . . . . . 4.0 1.8 5.0 1 1
186 1 . . . . . 4.0 1.8 6.5 1 1
187 1 . . . . . 4.0 1.8 6.5 1 1
188 1 . . . . . 3.0 1.8 4.8 1 1
189 1 . . . . . 3.0 1.8 4.8 1 1
190 1 . . . . . 4.0 1.8 6.5 1 1
191 1 . . . . . 4.0 1.8 5.0 1 1
192 1 . . . . . 3.0 1.8 5.5 1 1
193 1 . . . . . 3.0 1.8 4.8 1 1
194 1 . . . . . 3.0 1.8 5.8 1 1
195 1 . . . . . 4.0 1.8 5.5 1 1
196 1 . . . . . 3.0 1.8 4.8 1 1
197 1 . . . . . 3.0 1.8 4.8 1 1
198 1 . . . . . 4.0 1.8 5.0 1 1
199 1 . . . . . 3.0 1.8 3.8 1 1
200 1 . . . . . 4.0 1.8 5.0 1 1
201 1 . . . . . 3.0 1.8 4.8 1 1
202 1 . . . . . 2.5 1.8 3.7 1 1
203 1 . . . . . 4.0 1.8 5.0 1 1
204 1 . . . . . 2.5 1.8 3.8 1 1
205 1 . . . . . 4.0 1.8 5.0 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 TRP C 1 1 3 TRP N 1 1 3 TRP CA 1 1 3 TRP C -103.0 -43.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 3 TRP N 1 1 3 TRP CA 1 1 3 TRP C 1 1 4 LEU N -55.0 5.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1
3 . 1 1 3 TRP C 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C -78.0 -58.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
4 . 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C 1 1 5 ARG N -50.0 -20.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1
5 . 1 1 4 LEU C 1 1 5 ARG N 1 1 5 ARG CA 1 1 5 ARG C -80.0 -50.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
6 . 1 1 5 ARG N 1 1 5 ARG CA 1 1 5 ARG C 1 1 6 LYS N -47.999996 -18.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1
7 . 1 1 5 ARG C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -85.0 -55.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
8 . 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C 1 1 7 ILE N -44.999996 -15.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1
9 . 1 1 6 LYS C 1 1 7 ILE N 1 1 7 ILE CA 1 1 7 ILE C -93.0 -53.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
10 . 1 1 7 ILE N 1 1 7 ILE CA 1 1 7 ILE C 1 1 8 TRP N -44.999996 -5.0 . 7 . N . 7 . CA . 7 . C . 8 . N 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 TRP C C -3.787 2.924 2.110 1.00 . A A . 1 TRP C 1 1
1 2 1 1 1 TRP CA C -4.801 2.870 0.974 1.00 . A A . 1 TRP CA 1 1
1 3 1 1 1 TRP CB C -4.474 1.669 0.083 1.00 . A A . 1 TRP CB 1 1
1 4 1 1 1 TRP CD1 C -6.387 0.751 -1.267 1.00 . A A . 1 TRP CD1 1 1
1 5 1 1 1 TRP CD2 C -5.384 2.499 -2.244 1.00 . A A . 1 TRP CD2 1 1
1 6 1 1 1 TRP CE2 C -6.428 2.103 -3.110 1.00 . A A . 1 TRP CE2 1 1
1 7 1 1 1 TRP CE3 C -4.584 3.582 -2.616 1.00 . A A . 1 TRP CE3 1 1
1 8 1 1 1 TRP CG C -5.386 1.636 -1.087 1.00 . A A . 1 TRP CG 1 1
1 9 1 1 1 TRP CH2 C -5.853 3.848 -4.670 1.00 . A A . 1 TRP CH2 1 1
1 10 1 1 1 TRP CZ2 C -6.666 2.768 -4.314 1.00 . A A . 1 TRP CZ2 1 1
1 11 1 1 1 TRP CZ3 C -4.813 4.250 -3.817 1.00 . A A . 1 TRP CZ3 1 1
1 12 1 1 1 TRP H1 H -5.010 4.931 0.760 1.00 . A A . 1 TRP H1 1 1
1 13 1 1 1 TRP H2 H -5.341 4.050 -0.654 1.00 . A A . 1 TRP H2 1 1
1 14 1 1 1 TRP H3 H -3.736 4.268 -0.142 1.00 . A A . 1 TRP H3 1 1
1 15 1 1 1 TRP HA H -5.796 2.766 1.369 1.00 . A A . 1 TRP HA 1 1
1 16 1 1 1 TRP HB2 H -3.459 1.756 -0.259 1.00 . A A . 1 TRP HB2 1 1
1 17 1 1 1 TRP HB3 H -4.581 0.757 0.644 1.00 . A A . 1 TRP HB3 1 1
1 18 1 1 1 TRP HD1 H -6.652 -0.040 -0.583 1.00 . A A . 1 TRP HD1 1 1
1 19 1 1 1 TRP HE1 H -7.780 0.538 -2.837 1.00 . A A . 1 TRP HE1 1 1
1 20 1 1 1 TRP HE3 H -3.779 3.901 -1.972 1.00 . A A . 1 TRP HE3 1 1
1 21 1 1 1 TRP HH2 H -6.024 4.371 -5.600 1.00 . A A . 1 TRP HH2 1 1
1 22 1 1 1 TRP HZ2 H -7.469 2.451 -4.963 1.00 . A A . 1 TRP HZ2 1 1
1 23 1 1 1 TRP HZ3 H -4.183 5.074 -4.085 1.00 . A A . 1 TRP HZ3 1 1
1 24 1 1 1 TRP N N -4.715 4.124 0.174 1.00 . A A . 1 TRP N 1 1
1 25 1 1 1 TRP NE1 N -7.016 1.029 -2.469 1.00 . A A . 1 TRP NE1 1 1
1 26 1 1 1 TRP O O -3.690 3.910 2.839 1.00 . A A . 1 TRP O 1 1
1 27 1 1 2 TRP C C -1.050 0.603 2.839 1.00 . A A . 2 TRP C 1 1
1 28 1 1 2 TRP CA C -1.986 1.726 3.234 1.00 . A A . 2 TRP CA 1 1
1 29 1 1 2 TRP CB C -2.587 1.451 4.601 1.00 . A A . 2 TRP CB 1 1
1 30 1 1 2 TRP CD1 C -4.580 -0.032 4.258 1.00 . A A . 2 TRP CD1 1 1
1 31 1 1 2 TRP CD2 C -2.718 -1.148 4.783 1.00 . A A . 2 TRP CD2 1 1
1 32 1 1 2 TRP CE2 C -3.726 -2.120 4.632 1.00 . A A . 2 TRP CE2 1 1
1 33 1 1 2 TRP CE3 C -1.430 -1.555 5.112 1.00 . A A . 2 TRP CE3 1 1
1 34 1 1 2 TRP CG C -3.283 0.151 4.551 1.00 . A A . 2 TRP CG 1 1
1 35 1 1 2 TRP CH2 C -2.161 -3.879 5.141 1.00 . A A . 2 TRP CH2 1 1
1 36 1 1 2 TRP CZ2 C -3.458 -3.476 4.807 1.00 . A A . 2 TRP CZ2 1 1
1 37 1 1 2 TRP CZ3 C -1.145 -2.920 5.291 1.00 . A A . 2 TRP CZ3 1 1
1 38 1 1 2 TRP H H -3.153 1.107 1.594 1.00 . A A . 2 TRP H 1 1
1 39 1 1 2 TRP HA H -1.428 2.633 3.275 1.00 . A A . 2 TRP HA 1 1
1 40 1 1 2 TRP HB2 H -1.801 1.412 5.341 1.00 . A A . 2 TRP HB2 1 1
1 41 1 1 2 TRP HB3 H -3.282 2.222 4.858 1.00 . A A . 2 TRP HB3 1 1
1 42 1 1 2 TRP HD1 H -5.283 0.751 4.023 1.00 . A A . 2 TRP HD1 1 1
1 43 1 1 2 TRP HE1 H -5.721 -1.795 4.132 1.00 . A A . 2 TRP HE1 1 1
1 44 1 1 2 TRP HE3 H -0.653 -0.803 5.214 1.00 . A A . 2 TRP HE3 1 1
1 45 1 1 2 TRP HH2 H -1.941 -4.925 5.277 1.00 . A A . 2 TRP HH2 1 1
1 46 1 1 2 TRP HZ2 H -4.242 -4.207 4.689 1.00 . A A . 2 TRP HZ2 1 1
1 47 1 1 2 TRP HZ3 H -0.148 -3.234 5.553 1.00 . A A . 2 TRP HZ3 1 1
1 48 1 1 2 TRP N N -3.023 1.846 2.224 1.00 . A A . 2 TRP N 1 1
1 49 1 1 2 TRP NE1 N -4.853 -1.388 4.306 1.00 . A A . 2 TRP NE1 1 1
1 50 1 1 2 TRP O O 0.166 0.712 2.986 1.00 . A A . 2 TRP O 1 1
1 51 1 1 3 TRP C C -0.155 -1.213 0.525 1.00 . A A . 3 TRP C 1 1
1 52 1 1 3 TRP CA C -0.805 -1.581 1.850 1.00 . A A . 3 TRP CA 1 1
1 53 1 1 3 TRP CB C -1.641 -2.834 1.659 1.00 . A A . 3 TRP CB 1 1
1 54 1 1 3 TRP CD1 C -3.877 -1.862 1.203 1.00 . A A . 3 TRP CD1 1 1
1 55 1 1 3 TRP CD2 C -2.924 -2.742 -0.607 1.00 . A A . 3 TRP CD2 1 1
1 56 1 1 3 TRP CE2 C -4.175 -2.250 -1.024 1.00 . A A . 3 TRP CE2 1 1
1 57 1 1 3 TRP CE3 C -2.095 -3.350 -1.542 1.00 . A A . 3 TRP CE3 1 1
1 58 1 1 3 TRP CG C -2.777 -2.497 0.798 1.00 . A A . 3 TRP CG 1 1
1 59 1 1 3 TRP CH2 C -3.749 -2.968 -3.282 1.00 . A A . 3 TRP CH2 1 1
1 60 1 1 3 TRP CZ2 C -4.594 -2.360 -2.349 1.00 . A A . 3 TRP CZ2 1 1
1 61 1 1 3 TRP CZ3 C -2.499 -3.460 -2.871 1.00 . A A . 3 TRP CZ3 1 1
1 62 1 1 3 TRP H H -2.596 -0.498 2.187 1.00 . A A . 3 TRP H 1 1
1 63 1 1 3 TRP HA H -0.053 -1.776 2.577 1.00 . A A . 3 TRP HA 1 1
1 64 1 1 3 TRP HB2 H -1.047 -3.600 1.187 1.00 . A A . 3 TRP HB2 1 1
1 65 1 1 3 TRP HB3 H -2.002 -3.187 2.603 1.00 . A A . 3 TRP HB3 1 1
1 66 1 1 3 TRP HD1 H -4.060 -1.528 2.208 1.00 . A A . 3 TRP HD1 1 1
1 67 1 1 3 TRP HE1 H -5.597 -1.299 0.154 1.00 . A A . 3 TRP HE1 1 1
1 68 1 1 3 TRP HE3 H -1.130 -3.729 -1.233 1.00 . A A . 3 TRP HE3 1 1
1 69 1 1 3 TRP HH2 H -4.054 -3.057 -4.314 1.00 . A A . 3 TRP HH2 1 1
1 70 1 1 3 TRP HZ2 H -5.558 -1.977 -2.652 1.00 . A A . 3 TRP HZ2 1 1
1 71 1 1 3 TRP HZ3 H -1.840 -3.907 -3.579 1.00 . A A . 3 TRP HZ3 1 1
1 72 1 1 3 TRP N N -1.620 -0.469 2.301 1.00 . A A . 3 TRP N 1 1
1 73 1 1 3 TRP NE1 N -4.725 -1.719 0.126 1.00 . A A . 3 TRP NE1 1 1
1 74 1 1 3 TRP O O 0.871 -1.769 0.146 1.00 . A A . 3 TRP O 1 1
1 75 1 1 4 LEU C C 1.072 0.923 -1.263 1.00 . A A . 4 LEU C 1 1
1 76 1 1 4 LEU CA C -0.239 0.173 -1.468 1.00 . A A . 4 LEU CA 1 1
1 77 1 1 4 LEU CB C -1.254 1.103 -2.164 1.00 . A A . 4 LEU CB 1 1
1 78 1 1 4 LEU CD1 C -1.618 -0.867 -3.718 1.00 . A A . 4 LEU CD1 1 1
1 79 1 1 4 LEU CD2 C -2.932 1.208 -3.996 1.00 . A A . 4 LEU CD2 1 1
1 80 1 1 4 LEU CG C -1.566 0.655 -3.608 1.00 . A A . 4 LEU CG 1 1
1 81 1 1 4 LEU H H -1.590 0.150 0.171 1.00 . A A . 4 LEU H 1 1
1 82 1 1 4 LEU HA H -0.056 -0.692 -2.082 1.00 . A A . 4 LEU HA 1 1
1 83 1 1 4 LEU HB2 H -2.168 1.108 -1.599 1.00 . A A . 4 LEU HB2 1 1
1 84 1 1 4 LEU HB3 H -0.857 2.108 -2.189 1.00 . A A . 4 LEU HB3 1 1
1 85 1 1 4 LEU HD11 H -2.328 -1.152 -4.482 1.00 . A A . 4 LEU HD11 1 1
1 86 1 1 4 LEU HD12 H -1.927 -1.273 -2.775 1.00 . A A . 4 LEU HD12 1 1
1 87 1 1 4 LEU HD13 H -0.641 -1.249 -3.980 1.00 . A A . 4 LEU HD13 1 1
1 88 1 1 4 LEU HD21 H -3.194 0.855 -4.980 1.00 . A A . 4 LEU HD21 1 1
1 89 1 1 4 LEU HD22 H -2.896 2.284 -3.991 1.00 . A A . 4 LEU HD22 1 1
1 90 1 1 4 LEU HD23 H -3.669 0.865 -3.283 1.00 . A A . 4 LEU HD23 1 1
1 91 1 1 4 LEU HG H -0.815 1.044 -4.280 1.00 . A A . 4 LEU HG 1 1
1 92 1 1 4 LEU N N -0.769 -0.263 -0.181 1.00 . A A . 4 LEU N 1 1
1 93 1 1 4 LEU O O 2.077 0.623 -1.895 1.00 . A A . 4 LEU O 1 1
1 94 1 1 5 ARG C C 3.317 1.819 0.583 1.00 . A A . 5 ARG C 1 1
1 95 1 1 5 ARG CA C 2.271 2.669 -0.133 1.00 . A A . 5 ARG CA 1 1
1 96 1 1 5 ARG CB C 1.946 3.916 0.690 1.00 . A A . 5 ARG CB 1 1
1 97 1 1 5 ARG CD C 1.071 4.332 3.003 1.00 . A A . 5 ARG CD 1 1
1 98 1 1 5 ARG CG C 0.820 3.600 1.684 1.00 . A A . 5 ARG CG 1 1
1 99 1 1 5 ARG CZ C 0.543 6.502 3.954 1.00 . A A . 5 ARG CZ 1 1
1 100 1 1 5 ARG H H 0.236 2.115 0.116 1.00 . A A . 5 ARG H 1 1
1 101 1 1 5 ARG HA H 2.677 2.978 -1.087 1.00 . A A . 5 ARG HA 1 1
1 102 1 1 5 ARG HB2 H 2.828 4.226 1.224 1.00 . A A . 5 ARG HB2 1 1
1 103 1 1 5 ARG HB3 H 1.629 4.710 0.030 1.00 . A A . 5 ARG HB3 1 1
1 104 1 1 5 ARG HD2 H 0.470 3.880 3.775 1.00 . A A . 5 ARG HD2 1 1
1 105 1 1 5 ARG HD3 H 2.115 4.245 3.267 1.00 . A A . 5 ARG HD3 1 1
1 106 1 1 5 ARG HE H 0.611 6.134 1.987 1.00 . A A . 5 ARG HE 1 1
1 107 1 1 5 ARG HG2 H -0.126 3.920 1.271 1.00 . A A . 5 ARG HG2 1 1
1 108 1 1 5 ARG HG3 H 0.788 2.539 1.869 1.00 . A A . 5 ARG HG3 1 1
1 109 1 1 5 ARG HH11 H 0.121 8.154 2.905 1.00 . A A . 5 ARG HH11 1 1
1 110 1 1 5 ARG HH12 H 0.097 8.334 4.627 1.00 . A A . 5 ARG HH12 1 1
1 111 1 1 5 ARG HH21 H 0.926 5.025 5.250 1.00 . A A . 5 ARG HH21 1 1
1 112 1 1 5 ARG HH22 H 0.552 6.562 5.955 1.00 . A A . 5 ARG HH22 1 1
1 113 1 1 5 ARG N N 1.062 1.902 -0.377 1.00 . A A . 5 ARG N 1 1
1 114 1 1 5 ARG NE N 0.719 5.741 2.879 1.00 . A A . 5 ARG NE 1 1
1 115 1 1 5 ARG NH1 N 0.229 7.761 3.818 1.00 . A A . 5 ARG NH1 1 1
1 116 1 1 5 ARG NH2 N 0.685 5.990 5.146 1.00 . A A . 5 ARG NH2 1 1
1 117 1 1 5 ARG O O 4.516 2.006 0.378 1.00 . A A . 5 ARG O 1 1
1 118 1 1 6 LYS C C 4.462 -0.939 1.126 1.00 . A A . 6 LYS C 1 1
1 119 1 1 6 LYS CA C 3.809 0.016 2.117 1.00 . A A . 6 LYS CA 1 1
1 120 1 1 6 LYS CB C 3.100 -0.756 3.246 1.00 . A A . 6 LYS CB 1 1
1 121 1 1 6 LYS CD C 2.090 -2.923 3.964 1.00 . A A . 6 LYS CD 1 1
1 122 1 1 6 LYS CE C 1.323 -4.144 3.437 1.00 . A A . 6 LYS CE 1 1
1 123 1 1 6 LYS CG C 2.770 -2.189 2.810 1.00 . A A . 6 LYS CG 1 1
1 124 1 1 6 LYS H H 1.905 0.756 1.535 1.00 . A A . 6 LYS H 1 1
1 125 1 1 6 LYS HA H 4.579 0.635 2.549 1.00 . A A . 6 LYS HA 1 1
1 126 1 1 6 LYS HB2 H 3.745 -0.790 4.113 1.00 . A A . 6 LYS HB2 1 1
1 127 1 1 6 LYS HB3 H 2.186 -0.245 3.505 1.00 . A A . 6 LYS HB3 1 1
1 128 1 1 6 LYS HD2 H 2.841 -3.250 4.669 1.00 . A A . 6 LYS HD2 1 1
1 129 1 1 6 LYS HD3 H 1.405 -2.252 4.455 1.00 . A A . 6 LYS HD3 1 1
1 130 1 1 6 LYS HE2 H 0.273 -3.904 3.351 1.00 . A A . 6 LYS HE2 1 1
1 131 1 1 6 LYS HE3 H 1.706 -4.426 2.467 1.00 . A A . 6 LYS HE3 1 1
1 132 1 1 6 LYS HG2 H 2.110 -2.164 1.959 1.00 . A A . 6 LYS HG2 1 1
1 133 1 1 6 LYS HG3 H 3.678 -2.709 2.549 1.00 . A A . 6 LYS HG3 1 1
1 134 1 1 6 LYS HZ1 H 0.627 -5.855 4.398 1.00 . A A . 6 LYS HZ1 1 1
1 135 1 1 6 LYS HZ2 H 1.680 -4.911 5.339 1.00 . A A . 6 LYS HZ2 1 1
1 136 1 1 6 LYS HZ3 H 2.293 -5.871 4.078 1.00 . A A . 6 LYS HZ3 1 1
1 137 1 1 6 LYS N N 2.869 0.878 1.410 1.00 . A A . 6 LYS N 1 1
1 138 1 1 6 LYS NZ N 1.493 -5.281 4.385 1.00 . A A . 6 LYS NZ 1 1
1 139 1 1 6 LYS O O 5.677 -1.135 1.147 1.00 . A A . 6 LYS O 1 1
1 140 1 1 7 ILE C C 4.996 -1.566 -1.753 1.00 . A A . 7 ILE C 1 1
1 141 1 1 7 ILE CA C 4.177 -2.403 -0.777 1.00 . A A . 7 ILE CA 1 1
1 142 1 1 7 ILE CB C 3.019 -3.127 -1.504 1.00 . A A . 7 ILE CB 1 1
1 143 1 1 7 ILE CD1 C 4.742 -4.396 -2.830 1.00 . A A . 7 ILE CD1 1 1
1 144 1 1 7 ILE CG1 C 3.467 -4.512 -1.991 1.00 . A A . 7 ILE CG1 1 1
1 145 1 1 7 ILE CG2 C 2.562 -2.312 -2.703 1.00 . A A . 7 ILE CG2 1 1
1 146 1 1 7 ILE H H 2.697 -1.293 0.246 1.00 . A A . 7 ILE H 1 1
1 147 1 1 7 ILE HA H 4.819 -3.129 -0.301 1.00 . A A . 7 ILE HA 1 1
1 148 1 1 7 ILE HB H 2.185 -3.240 -0.827 1.00 . A A . 7 ILE HB 1 1
1 149 1 1 7 ILE HD11 H 4.661 -3.549 -3.496 1.00 . A A . 7 ILE HD11 1 1
1 150 1 1 7 ILE HD12 H 4.869 -5.296 -3.413 1.00 . A A . 7 ILE HD12 1 1
1 151 1 1 7 ILE HD13 H 5.592 -4.266 -2.180 1.00 . A A . 7 ILE HD13 1 1
1 152 1 1 7 ILE HG12 H 3.652 -5.149 -1.141 1.00 . A A . 7 ILE HG12 1 1
1 153 1 1 7 ILE HG13 H 2.685 -4.941 -2.601 1.00 . A A . 7 ILE HG13 1 1
1 154 1 1 7 ILE HG21 H 2.537 -1.272 -2.440 1.00 . A A . 7 ILE HG21 1 1
1 155 1 1 7 ILE HG22 H 1.576 -2.634 -3.005 1.00 . A A . 7 ILE HG22 1 1
1 156 1 1 7 ILE HG23 H 3.253 -2.463 -3.511 1.00 . A A . 7 ILE HG23 1 1
1 157 1 1 7 ILE N N 3.651 -1.505 0.236 1.00 . A A . 7 ILE N 1 1
1 158 1 1 7 ILE O O 5.928 -2.048 -2.395 1.00 . A A . 7 ILE O 1 1
1 159 1 1 8 TRP C C 6.081 1.678 -1.862 1.00 . A A . 8 TRP C 1 1
1 160 1 1 8 TRP CA C 5.320 0.659 -2.699 1.00 . A A . 8 TRP CA 1 1
1 161 1 1 8 TRP CB C 4.300 1.370 -3.596 1.00 . A A . 8 TRP CB 1 1
1 162 1 1 8 TRP CD1 C 2.159 0.298 -4.369 1.00 . A A . 8 TRP CD1 1 1
1 163 1 1 8 TRP CD2 C 3.976 -0.790 -5.128 1.00 . A A . 8 TRP CD2 1 1
1 164 1 1 8 TRP CE2 C 2.845 -1.500 -5.596 1.00 . A A . 8 TRP CE2 1 1
1 165 1 1 8 TRP CE3 C 5.252 -1.276 -5.480 1.00 . A A . 8 TRP CE3 1 1
1 166 1 1 8 TRP CG C 3.507 0.343 -4.332 1.00 . A A . 8 TRP CG 1 1
1 167 1 1 8 TRP CH2 C 4.241 -3.114 -6.714 1.00 . A A . 8 TRP CH2 1 1
1 168 1 1 8 TRP CZ2 C 2.971 -2.647 -6.376 1.00 . A A . 8 TRP CZ2 1 1
1 169 1 1 8 TRP CZ3 C 5.380 -2.430 -6.270 1.00 . A A . 8 TRP CZ3 1 1
1 170 1 1 8 TRP H H 3.890 0.031 -1.276 1.00 . A A . 8 TRP H 1 1
1 171 1 1 8 TRP HA H 6.018 0.125 -3.315 1.00 . A A . 8 TRP HA 1 1
1 172 1 1 8 TRP HB2 H 3.638 1.964 -2.984 1.00 . A A . 8 TRP HB2 1 1
1 173 1 1 8 TRP HB3 H 4.804 2.007 -4.294 1.00 . A A . 8 TRP HB3 1 1
1 174 1 1 8 TRP HD1 H 1.495 0.993 -3.885 1.00 . A A . 8 TRP HD1 1 1
1 175 1 1 8 TRP HE1 H 0.845 -1.062 -5.250 1.00 . A A . 8 TRP HE1 1 1
1 176 1 1 8 TRP HE3 H 6.137 -0.757 -5.150 1.00 . A A . 8 TRP HE3 1 1
1 177 1 1 8 TRP HH2 H 4.345 -4.004 -7.314 1.00 . A A . 8 TRP HH2 1 1
1 178 1 1 8 TRP HZ2 H 2.093 -3.174 -6.713 1.00 . A A . 8 TRP HZ2 1 1
1 179 1 1 8 TRP HZ3 H 6.362 -2.794 -6.533 1.00 . A A . 8 TRP HZ3 1 1
1 180 1 1 8 TRP N N 4.634 -0.286 -1.830 1.00 . A A . 8 TRP N 1 1
1 181 1 1 8 TRP NE1 N 1.767 -0.800 -5.095 1.00 . A A . 8 TRP NE1 1 1
1 182 1 1 8 TRP O O 6.261 2.822 -2.278 1.00 . A A . 8 TRP O 1 1
1 183 1 1 9 NH2 HN1 H 6.397 0.404 -0.370 1.00 . A A . 9 NH2 HN1 1 1
1 184 1 1 9 NH2 HN2 H 7.039 1.962 -0.146 1.00 . A A . 9 NH2 HN2 1 1
1 185 1 1 9 NH2 N N 6.545 1.320 -0.696 1.00 . A A . 9 NH2 N 1 1
2 186 1 1 1 TRP C C -3.868 2.865 2.085 1.00 . A A . 1 TRP C 1 1
2 187 1 1 1 TRP CA C -4.968 2.693 1.048 1.00 . A A . 1 TRP CA 1 1
2 188 1 1 1 TRP CB C -4.631 1.474 0.183 1.00 . A A . 1 TRP CB 1 1
2 189 1 1 1 TRP CD1 C -6.511 0.457 -1.137 1.00 . A A . 1 TRP CD1 1 1
2 190 1 1 1 TRP CD2 C -5.621 2.258 -2.128 1.00 . A A . 1 TRP CD2 1 1
2 191 1 1 1 TRP CE2 C -6.657 1.807 -2.977 1.00 . A A . 1 TRP CE2 1 1
2 192 1 1 1 TRP CE3 C -4.886 3.383 -2.513 1.00 . A A . 1 TRP CE3 1 1
2 193 1 1 1 TRP CG C -5.558 1.394 -0.973 1.00 . A A . 1 TRP CG 1 1
2 194 1 1 1 TRP CH2 C -6.203 3.583 -4.543 1.00 . A A . 1 TRP CH2 1 1
2 195 1 1 1 TRP CZ2 C -6.951 2.459 -4.175 1.00 . A A . 1 TRP CZ2 1 1
2 196 1 1 1 TRP CZ3 C -5.171 4.038 -3.708 1.00 . A A . 1 TRP CZ3 1 1
2 197 1 1 1 TRP H1 H -5.431 4.701 0.751 1.00 . A A . 1 TRP H1 1 1
2 198 1 1 1 TRP H2 H -5.654 3.727 -0.623 1.00 . A A . 1 TRP H2 1 1
2 199 1 1 1 TRP H3 H -4.087 4.164 -0.134 1.00 . A A . 1 TRP H3 1 1
2 200 1 1 1 TRP HA H -5.915 2.541 1.534 1.00 . A A . 1 TRP HA 1 1
2 201 1 1 1 TRP HB2 H -3.622 1.566 -0.175 1.00 . A A . 1 TRP HB2 1 1
2 202 1 1 1 TRP HB3 H -4.717 0.576 0.772 1.00 . A A . 1 TRP HB3 1 1
2 203 1 1 1 TRP HD1 H -6.720 -0.347 -0.448 1.00 . A A . 1 TRP HD1 1 1
2 204 1 1 1 TRP HE1 H -7.918 0.171 -2.683 1.00 . A A . 1 TRP HE1 1 1
2 205 1 1 1 TRP HE3 H -4.087 3.743 -1.884 1.00 . A A . 1 TRP HE3 1 1
2 206 1 1 1 TRP HH2 H -6.418 4.096 -5.469 1.00 . A A . 1 TRP HH2 1 1
2 207 1 1 1 TRP HZ2 H -7.746 2.101 -4.811 1.00 . A A . 1 TRP HZ2 1 1
2 208 1 1 1 TRP HZ3 H -4.591 4.897 -3.984 1.00 . A A . 1 TRP HZ3 1 1
2 209 1 1 1 TRP N N -5.040 3.913 0.196 1.00 . A A . 1 TRP N 1 1
2 210 1 1 1 TRP NE1 N -7.175 0.702 -2.328 1.00 . A A . 1 TRP NE1 1 1
2 211 1 1 1 TRP O O -3.728 3.918 2.706 1.00 . A A . 1 TRP O 1 1
2 212 1 1 2 TRP C C -0.988 0.716 2.742 1.00 . A A . 2 TRP C 1 1
2 213 1 1 2 TRP CA C -1.965 1.799 3.163 1.00 . A A . 2 TRP CA 1 1
2 214 1 1 2 TRP CB C -2.440 1.536 4.580 1.00 . A A . 2 TRP CB 1 1
2 215 1 1 2 TRP CD1 C -4.297 -0.142 4.507 1.00 . A A . 2 TRP CD1 1 1
2 216 1 1 2 TRP CD2 C -2.281 -1.058 4.795 1.00 . A A . 2 TRP CD2 1 1
2 217 1 1 2 TRP CE2 C -3.198 -2.127 4.785 1.00 . A A . 2 TRP CE2 1 1
2 218 1 1 2 TRP CE3 C -0.927 -1.330 4.956 1.00 . A A . 2 TRP CE3 1 1
2 219 1 1 2 TRP CG C -2.999 0.174 4.633 1.00 . A A . 2 TRP CG 1 1
2 220 1 1 2 TRP CH2 C -1.410 -3.710 5.098 1.00 . A A . 2 TRP CH2 1 1
2 221 1 1 2 TRP CZ2 C -2.773 -3.446 4.935 1.00 . A A . 2 TRP CZ2 1 1
2 222 1 1 2 TRP CZ3 C -0.485 -2.652 5.106 1.00 . A A . 2 TRP CZ3 1 1
2 223 1 1 2 TRP H H -3.250 1.013 1.693 1.00 . A A . 2 TRP H 1 1
2 224 1 1 2 TRP HA H -1.474 2.745 3.133 1.00 . A A . 2 TRP HA 1 1
2 225 1 1 2 TRP HB2 H -1.605 1.610 5.262 1.00 . A A . 2 TRP HB2 1 1
2 226 1 1 2 TRP HB3 H -3.190 2.244 4.854 1.00 . A A . 2 TRP HB3 1 1
2 227 1 1 2 TRP HD1 H -5.096 0.565 4.359 1.00 . A A . 2 TRP HD1 1 1
2 228 1 1 2 TRP HE1 H -5.265 -2.011 4.547 1.00 . A A . 2 TRP HE1 1 1
2 229 1 1 2 TRP HE3 H -0.220 -0.507 4.949 1.00 . A A . 2 TRP HE3 1 1
2 230 1 1 2 TRP HH2 H -1.071 -4.725 5.209 1.00 . A A . 2 TRP HH2 1 1
2 231 1 1 2 TRP HZ2 H -3.487 -4.254 4.928 1.00 . A A . 2 TRP HZ2 1 1
2 232 1 1 2 TRP HZ3 H 0.566 -2.857 5.234 1.00 . A A . 2 TRP HZ3 1 1
2 233 1 1 2 TRP N N -3.082 1.809 2.237 1.00 . A A . 2 TRP N 1 1
2 234 1 1 2 TRP NE1 N -4.425 -1.518 4.602 1.00 . A A . 2 TRP NE1 1 1
2 235 1 1 2 TRP O O 0.226 0.913 2.770 1.00 . A A . 2 TRP O 1 1
2 236 1 1 3 TRP C C -0.041 -1.133 0.551 1.00 . A A . 3 TRP C 1 1
2 237 1 1 3 TRP CA C -0.683 -1.517 1.871 1.00 . A A . 3 TRP CA 1 1
2 238 1 1 3 TRP CB C -1.473 -2.801 1.686 1.00 . A A . 3 TRP CB 1 1
2 239 1 1 3 TRP CD1 C -3.770 -1.921 1.351 1.00 . A A . 3 TRP CD1 1 1
2 240 1 1 3 TRP CD2 C -2.882 -2.787 -0.500 1.00 . A A . 3 TRP CD2 1 1
2 241 1 1 3 TRP CE2 C -4.172 -2.350 -0.856 1.00 . A A . 3 TRP CE2 1 1
2 242 1 1 3 TRP CE3 C -2.078 -3.375 -1.468 1.00 . A A . 3 TRP CE3 1 1
2 243 1 1 3 TRP CG C -2.668 -2.514 0.889 1.00 . A A . 3 TRP CG 1 1
2 244 1 1 3 TRP CH2 C -3.834 -3.086 -3.124 1.00 . A A . 3 TRP CH2 1 1
2 245 1 1 3 TRP CZ2 C -4.655 -2.496 -2.155 1.00 . A A . 3 TRP CZ2 1 1
2 246 1 1 3 TRP CZ3 C -2.545 -3.523 -2.773 1.00 . A A . 3 TRP CZ3 1 1
2 247 1 1 3 TRP H H -2.504 -0.524 2.304 1.00 . A A . 3 TRP H 1 1
2 248 1 1 3 TRP HA H 0.073 -1.687 2.597 1.00 . A A . 3 TRP HA 1 1
2 249 1 1 3 TRP HB2 H -0.867 -3.527 1.168 1.00 . A A . 3 TRP HB2 1 1
2 250 1 1 3 TRP HB3 H -1.767 -3.194 2.635 1.00 . A A . 3 TRP HB3 1 1
2 251 1 1 3 TRP HD1 H -3.914 -1.584 2.361 1.00 . A A . 3 TRP HD1 1 1
2 252 1 1 3 TRP HE1 H -5.568 -1.439 0.387 1.00 . A A . 3 TRP HE1 1 1
2 253 1 1 3 TRP HE3 H -1.083 -3.710 -1.202 1.00 . A A . 3 TRP HE3 1 1
2 254 1 1 3 TRP HH2 H -4.190 -3.204 -4.136 1.00 . A A . 3 TRP HH2 1 1
2 255 1 1 3 TRP HZ2 H -5.646 -2.156 -2.412 1.00 . A A . 3 TRP HZ2 1 1
2 256 1 1 3 TRP HZ3 H -1.906 -3.957 -3.509 1.00 . A A . 3 TRP HZ3 1 1
2 257 1 1 3 TRP N N -1.529 -0.427 2.323 1.00 . A A . 3 TRP N 1 1
2 258 1 1 3 TRP NE1 N -4.681 -1.826 0.318 1.00 . A A . 3 TRP NE1 1 1
2 259 1 1 3 TRP O O 1.077 -1.542 0.245 1.00 . A A . 3 TRP O 1 1
2 260 1 1 4 LEU C C 1.061 0.880 -1.278 1.00 . A A . 4 LEU C 1 1
2 261 1 1 4 LEU CA C -0.245 0.133 -1.505 1.00 . A A . 4 LEU CA 1 1
2 262 1 1 4 LEU CB C -1.272 1.075 -2.169 1.00 . A A . 4 LEU CB 1 1
2 263 1 1 4 LEU CD1 C -1.760 -0.938 -3.633 1.00 . A A . 4 LEU CD1 1 1
2 264 1 1 4 LEU CD2 C -3.093 1.124 -3.867 1.00 . A A . 4 LEU CD2 1 1
2 265 1 1 4 LEU CG C -1.699 0.584 -3.571 1.00 . A A . 4 LEU CG 1 1
2 266 1 1 4 LEU H H -1.641 -0.012 0.086 1.00 . A A . 4 LEU H 1 1
2 267 1 1 4 LEU HA H -0.062 -0.721 -2.137 1.00 . A A . 4 LEU HA 1 1
2 268 1 1 4 LEU HB2 H -2.147 1.136 -1.542 1.00 . A A . 4 LEU HB2 1 1
2 269 1 1 4 LEU HB3 H -0.843 2.063 -2.261 1.00 . A A . 4 LEU HB3 1 1
2 270 1 1 4 LEU HD11 H -2.500 -1.243 -4.359 1.00 . A A . 4 LEU HD11 1 1
2 271 1 1 4 LEU HD12 H -2.034 -1.313 -2.666 1.00 . A A . 4 LEU HD12 1 1
2 272 1 1 4 LEU HD13 H -0.794 -1.332 -3.920 1.00 . A A . 4 LEU HD13 1 1
2 273 1 1 4 LEU HD21 H -3.409 0.787 -4.841 1.00 . A A . 4 LEU HD21 1 1
2 274 1 1 4 LEU HD22 H -3.075 2.199 -3.840 1.00 . A A . 4 LEU HD22 1 1
2 275 1 1 4 LEU HD23 H -3.782 0.754 -3.118 1.00 . A A . 4 LEU HD23 1 1
2 276 1 1 4 LEU HG H -1.006 0.952 -4.312 1.00 . A A . 4 LEU HG 1 1
2 277 1 1 4 LEU N N -0.757 -0.321 -0.221 1.00 . A A . 4 LEU N 1 1
2 278 1 1 4 LEU O O 2.073 0.613 -1.914 1.00 . A A . 4 LEU O 1 1
2 279 1 1 5 ARG C C 3.275 1.751 0.632 1.00 . A A . 5 ARG C 1 1
2 280 1 1 5 ARG CA C 2.211 2.605 -0.062 1.00 . A A . 5 ARG CA 1 1
2 281 1 1 5 ARG CB C 1.809 3.803 0.809 1.00 . A A . 5 ARG CB 1 1
2 282 1 1 5 ARG CD C 1.410 4.549 3.178 1.00 . A A . 5 ARG CD 1 1
2 283 1 1 5 ARG CG C 2.143 3.540 2.286 1.00 . A A . 5 ARG CG 1 1
2 284 1 1 5 ARG CZ C 2.025 6.331 4.709 1.00 . A A . 5 ARG CZ 1 1
2 285 1 1 5 ARG H H 0.196 1.999 0.127 1.00 . A A . 5 ARG H 1 1
2 286 1 1 5 ARG HA H 2.623 2.971 -0.999 1.00 . A A . 5 ARG HA 1 1
2 287 1 1 5 ARG HB2 H 2.332 4.678 0.473 1.00 . A A . 5 ARG HB2 1 1
2 288 1 1 5 ARG HB3 H 0.746 3.966 0.711 1.00 . A A . 5 ARG HB3 1 1
2 289 1 1 5 ARG HD2 H 0.920 5.289 2.563 1.00 . A A . 5 ARG HD2 1 1
2 290 1 1 5 ARG HD3 H 0.669 4.030 3.770 1.00 . A A . 5 ARG HD3 1 1
2 291 1 1 5 ARG HE H 3.248 4.833 4.192 1.00 . A A . 5 ARG HE 1 1
2 292 1 1 5 ARG HG2 H 1.833 2.541 2.552 1.00 . A A . 5 ARG HG2 1 1
2 293 1 1 5 ARG HG3 H 3.208 3.638 2.436 1.00 . A A . 5 ARG HG3 1 1
2 294 1 1 5 ARG HH11 H 3.799 6.513 5.620 1.00 . A A . 5 ARG HH11 1 1
2 295 1 1 5 ARG HH12 H 2.640 7.750 5.980 1.00 . A A . 5 ARG HH12 1 1
2 296 1 1 5 ARG HH21 H 0.176 6.406 3.945 1.00 . A A . 5 ARG HH21 1 1
2 297 1 1 5 ARG HH22 H 0.590 7.688 5.033 1.00 . A A . 5 ARG HH22 1 1
2 298 1 1 5 ARG N N 1.029 1.822 -0.359 1.00 . A A . 5 ARG N 1 1
2 299 1 1 5 ARG NE N 2.355 5.215 4.067 1.00 . A A . 5 ARG NE 1 1
2 300 1 1 5 ARG NH1 N 2.889 6.909 5.498 1.00 . A A . 5 ARG NH1 1 1
2 301 1 1 5 ARG NH2 N 0.837 6.849 4.550 1.00 . A A . 5 ARG NH2 1 1
2 302 1 1 5 ARG O O 4.470 1.933 0.403 1.00 . A A . 5 ARG O 1 1
2 303 1 1 6 LYS C C 4.411 -1.015 1.185 1.00 . A A . 6 LYS C 1 1
2 304 1 1 6 LYS CA C 3.776 -0.048 2.178 1.00 . A A . 6 LYS CA 1 1
2 305 1 1 6 LYS CB C 3.059 -0.780 3.330 1.00 . A A . 6 LYS CB 1 1
2 306 1 1 6 LYS CD C 2.808 -3.146 2.478 1.00 . A A . 6 LYS CD 1 1
2 307 1 1 6 LYS CE C 2.392 -4.451 3.168 1.00 . A A . 6 LYS CE 1 1
2 308 1 1 6 LYS CG C 3.553 -2.231 3.470 1.00 . A A . 6 LYS CG 1 1
2 309 1 1 6 LYS H H 1.874 0.710 1.622 1.00 . A A . 6 LYS H 1 1
2 310 1 1 6 LYS HA H 4.559 0.569 2.593 1.00 . A A . 6 LYS HA 1 1
2 311 1 1 6 LYS HB2 H 3.251 -0.255 4.255 1.00 . A A . 6 LYS HB2 1 1
2 312 1 1 6 LYS HB3 H 1.999 -0.777 3.144 1.00 . A A . 6 LYS HB3 1 1
2 313 1 1 6 LYS HD2 H 1.928 -2.645 2.110 1.00 . A A . 6 LYS HD2 1 1
2 314 1 1 6 LYS HD3 H 3.456 -3.376 1.649 1.00 . A A . 6 LYS HD3 1 1
2 315 1 1 6 LYS HE2 H 1.955 -4.229 4.130 1.00 . A A . 6 LYS HE2 1 1
2 316 1 1 6 LYS HE3 H 1.664 -4.962 2.556 1.00 . A A . 6 LYS HE3 1 1
2 317 1 1 6 LYS HG2 H 4.615 -2.271 3.274 1.00 . A A . 6 LYS HG2 1 1
2 318 1 1 6 LYS HG3 H 3.368 -2.569 4.480 1.00 . A A . 6 LYS HG3 1 1
2 319 1 1 6 LYS HZ1 H 3.873 -5.310 4.352 1.00 . A A . 6 LYS HZ1 1 1
2 320 1 1 6 LYS HZ2 H 4.368 -4.964 2.763 1.00 . A A . 6 LYS HZ2 1 1
2 321 1 1 6 LYS HZ3 H 3.356 -6.293 3.070 1.00 . A A . 6 LYS HZ3 1 1
2 322 1 1 6 LYS N N 2.838 0.818 1.476 1.00 . A A . 6 LYS N 1 1
2 323 1 1 6 LYS NZ N 3.587 -5.320 3.352 1.00 . A A . 6 LYS NZ 1 1
2 324 1 1 6 LYS O O 5.598 -1.328 1.283 1.00 . A A . 6 LYS O 1 1
2 325 1 1 7 ILE C C 4.951 -1.477 -1.813 1.00 . A A . 7 ILE C 1 1
2 326 1 1 7 ILE CA C 4.154 -2.333 -0.831 1.00 . A A . 7 ILE CA 1 1
2 327 1 1 7 ILE CB C 2.997 -3.065 -1.547 1.00 . A A . 7 ILE CB 1 1
2 328 1 1 7 ILE CD1 C 4.715 -4.302 -2.910 1.00 . A A . 7 ILE CD1 1 1
2 329 1 1 7 ILE CG1 C 3.454 -4.440 -2.055 1.00 . A A . 7 ILE CG1 1 1
2 330 1 1 7 ILE CG2 C 2.511 -2.246 -2.732 1.00 . A A . 7 ILE CG2 1 1
2 331 1 1 7 ILE H H 2.700 -1.142 0.149 1.00 . A A . 7 ILE H 1 1
2 332 1 1 7 ILE HA H 4.816 -3.055 -0.376 1.00 . A A . 7 ILE HA 1 1
2 333 1 1 7 ILE HB H 2.175 -3.195 -0.859 1.00 . A A . 7 ILE HB 1 1
2 334 1 1 7 ILE HD11 H 5.572 -4.163 -2.270 1.00 . A A . 7 ILE HD11 1 1
2 335 1 1 7 ILE HD12 H 4.613 -3.454 -3.570 1.00 . A A . 7 ILE HD12 1 1
2 336 1 1 7 ILE HD13 H 4.848 -5.197 -3.499 1.00 . A A . 7 ILE HD13 1 1
2 337 1 1 7 ILE HG12 H 3.657 -5.083 -1.213 1.00 . A A . 7 ILE HG12 1 1
2 338 1 1 7 ILE HG13 H 2.668 -4.873 -2.659 1.00 . A A . 7 ILE HG13 1 1
2 339 1 1 7 ILE HG21 H 2.488 -1.208 -2.463 1.00 . A A . 7 ILE HG21 1 1
2 340 1 1 7 ILE HG22 H 1.519 -2.568 -3.014 1.00 . A A . 7 ILE HG22 1 1
2 341 1 1 7 ILE HG23 H 3.184 -2.390 -3.557 1.00 . A A . 7 ILE HG23 1 1
2 342 1 1 7 ILE N N 3.630 -1.449 0.200 1.00 . A A . 7 ILE N 1 1
2 343 1 1 7 ILE O O 5.873 -1.945 -2.480 1.00 . A A . 7 ILE O 1 1
2 344 1 1 8 TRP C C 6.009 1.781 -1.902 1.00 . A A . 8 TRP C 1 1
2 345 1 1 8 TRP CA C 5.246 0.765 -2.739 1.00 . A A . 8 TRP CA 1 1
2 346 1 1 8 TRP CB C 4.202 1.474 -3.607 1.00 . A A . 8 TRP CB 1 1
2 347 1 1 8 TRP CD1 C 2.062 0.386 -4.363 1.00 . A A . 8 TRP CD1 1 1
2 348 1 1 8 TRP CD2 C 3.881 -0.673 -5.159 1.00 . A A . 8 TRP CD2 1 1
2 349 1 1 8 TRP CE2 C 2.751 -1.391 -5.617 1.00 . A A . 8 TRP CE2 1 1
2 350 1 1 8 TRP CE3 C 5.157 -1.140 -5.534 1.00 . A A . 8 TRP CE3 1 1
2 351 1 1 8 TRP CG C 3.410 0.446 -4.344 1.00 . A A . 8 TRP CG 1 1
2 352 1 1 8 TRP CH2 C 4.149 -2.978 -6.772 1.00 . A A . 8 TRP CH2 1 1
2 353 1 1 8 TRP CZ2 C 2.879 -2.529 -6.411 1.00 . A A . 8 TRP CZ2 1 1
2 354 1 1 8 TRP CZ3 C 5.287 -2.284 -6.338 1.00 . A A . 8 TRP CZ3 1 1
2 355 1 1 8 TRP H H 3.849 0.108 -1.295 1.00 . A A . 8 TRP H 1 1
2 356 1 1 8 TRP HA H 5.942 0.247 -3.374 1.00 . A A . 8 TRP HA 1 1
2 357 1 1 8 TRP HB2 H 3.543 2.050 -2.975 1.00 . A A . 8 TRP HB2 1 1
2 358 1 1 8 TRP HB3 H 4.685 2.128 -4.305 1.00 . A A . 8 TRP HB3 1 1
2 359 1 1 8 TRP HD1 H 1.397 1.068 -3.861 1.00 . A A . 8 TRP HD1 1 1
2 360 1 1 8 TRP HE1 H 0.752 -0.980 -5.238 1.00 . A A . 8 TRP HE1 1 1
2 361 1 1 8 TRP HE3 H 6.041 -0.615 -5.212 1.00 . A A . 8 TRP HE3 1 1
2 362 1 1 8 TRP HH2 H 4.255 -3.860 -7.384 1.00 . A A . 8 TRP HH2 1 1
2 363 1 1 8 TRP HZ2 H 2.003 -3.063 -6.741 1.00 . A A . 8 TRP HZ2 1 1
2 364 1 1 8 TRP HZ3 H 6.268 -2.634 -6.619 1.00 . A A . 8 TRP HZ3 1 1
2 365 1 1 8 TRP N N 4.582 -0.198 -1.868 1.00 . A A . 8 TRP N 1 1
2 366 1 1 8 TRP NE1 N 1.673 -0.709 -5.094 1.00 . A A . 8 TRP NE1 1 1
2 367 1 1 8 TRP O O 6.163 2.936 -2.301 1.00 . A A . 8 TRP O 1 1
2 368 1 1 9 NH2 HN1 H 6.378 0.488 -0.438 1.00 . A A . 9 NH2 HN1 1 1
2 369 1 1 9 NH2 HN2 H 7.000 2.053 -0.201 1.00 . A A . 9 NH2 HN2 1 1
2 370 1 1 9 NH2 N N 6.503 1.412 -0.751 1.00 . A A . 9 NH2 N 1 1
3 371 1 1 1 TRP C C -3.896 2.877 2.039 1.00 . A A . 1 TRP C 1 1
3 372 1 1 1 TRP CA C -4.928 2.741 0.926 1.00 . A A . 1 TRP CA 1 1
3 373 1 1 1 TRP CB C -4.577 1.516 0.075 1.00 . A A . 1 TRP CB 1 1
3 374 1 1 1 TRP CD1 C -6.459 0.516 -1.266 1.00 . A A . 1 TRP CD1 1 1
3 375 1 1 1 TRP CD2 C -5.506 2.277 -2.271 1.00 . A A . 1 TRP CD2 1 1
3 376 1 1 1 TRP CE2 C -6.534 1.834 -3.132 1.00 . A A . 1 TRP CE2 1 1
3 377 1 1 1 TRP CE3 C -4.738 3.379 -2.661 1.00 . A A . 1 TRP CE3 1 1
3 378 1 1 1 TRP CG C -5.485 1.434 -1.098 1.00 . A A . 1 TRP CG 1 1
3 379 1 1 1 TRP CH2 C -6.010 3.569 -4.723 1.00 . A A . 1 TRP CH2 1 1
3 380 1 1 1 TRP CZ2 C -6.789 2.470 -4.348 1.00 . A A . 1 TRP CZ2 1 1
3 381 1 1 1 TRP CZ3 C -4.984 4.018 -3.875 1.00 . A A . 1 TRP CZ3 1 1
3 382 1 1 1 TRP H1 H -5.504 3.820 -0.759 1.00 . A A . 1 TRP H1 1 1
3 383 1 1 1 TRP H2 H -3.927 4.158 -0.224 1.00 . A A . 1 TRP H2 1 1
3 384 1 1 1 TRP H3 H -5.265 4.773 0.624 1.00 . A A . 1 TRP H3 1 1
3 385 1 1 1 TRP HA H -5.911 2.618 1.347 1.00 . A A . 1 TRP HA 1 1
3 386 1 1 1 TRP HB2 H -3.562 1.606 -0.266 1.00 . A A . 1 TRP HB2 1 1
3 387 1 1 1 TRP HB3 H -4.674 0.621 0.664 1.00 . A A . 1 TRP HB3 1 1
3 388 1 1 1 TRP HD1 H -6.702 -0.271 -0.568 1.00 . A A . 1 TRP HD1 1 1
3 389 1 1 1 TRP HE1 H -7.838 0.233 -2.836 1.00 . A A . 1 TRP HE1 1 1
3 390 1 1 1 TRP HE3 H -3.945 3.735 -2.022 1.00 . A A . 1 TRP HE3 1 1
3 391 1 1 1 TRP HH2 H -6.194 4.069 -5.662 1.00 . A A . 1 TRP HH2 1 1
3 392 1 1 1 TRP HZ2 H -7.580 2.117 -4.994 1.00 . A A . 1 TRP HZ2 1 1
3 393 1 1 1 TRP HZ3 H -4.381 4.857 -4.156 1.00 . A A . 1 TRP HZ3 1 1
3 394 1 1 1 TRP N N -4.905 3.965 0.078 1.00 . A A . 1 TRP N 1 1
3 395 1 1 1 TRP NE1 N -7.091 0.754 -2.474 1.00 . A A . 1 TRP NE1 1 1
3 396 1 1 1 TRP O O -3.832 3.890 2.734 1.00 . A A . 1 TRP O 1 1
3 397 1 1 2 TRP C C -1.047 0.700 2.808 1.00 . A A . 2 TRP C 1 1
3 398 1 1 2 TRP CA C -2.024 1.804 3.169 1.00 . A A . 2 TRP CA 1 1
3 399 1 1 2 TRP CB C -2.595 1.561 4.555 1.00 . A A . 2 TRP CB 1 1
3 400 1 1 2 TRP CD1 C -4.515 -0.032 4.330 1.00 . A A . 2 TRP CD1 1 1
3 401 1 1 2 TRP CD2 C -2.577 -1.032 4.806 1.00 . A A . 2 TRP CD2 1 1
3 402 1 1 2 TRP CE2 C -3.535 -2.061 4.722 1.00 . A A . 2 TRP CE2 1 1
3 403 1 1 2 TRP CE3 C -1.256 -1.360 5.091 1.00 . A A . 2 TRP CE3 1 1
3 404 1 1 2 TRP CG C -3.220 0.227 4.568 1.00 . A A . 2 TRP CG 1 1
3 405 1 1 2 TRP CH2 C -1.857 -3.717 5.210 1.00 . A A . 2 TRP CH2 1 1
3 406 1 1 2 TRP CZ2 C -3.186 -3.394 4.921 1.00 . A A . 2 TRP CZ2 1 1
3 407 1 1 2 TRP CZ3 C -0.891 -2.700 5.293 1.00 . A A . 2 TRP CZ3 1 1
3 408 1 1 2 TRP H H -3.189 1.074 1.572 1.00 . A A . 2 TRP H 1 1
3 409 1 1 2 TRP HA H -1.506 2.736 3.166 1.00 . A A . 2 TRP HA 1 1
3 410 1 1 2 TRP HB2 H -1.799 1.594 5.285 1.00 . A A . 2 TRP HB2 1 1
3 411 1 1 2 TRP HB3 H -3.326 2.304 4.785 1.00 . A A . 2 TRP HB3 1 1
3 412 1 1 2 TRP HD1 H -5.267 0.706 4.105 1.00 . A A . 2 TRP HD1 1 1
3 413 1 1 2 TRP HE1 H -5.564 -1.857 4.296 1.00 . A A . 2 TRP HE1 1 1
3 414 1 1 2 TRP HE3 H -0.518 -0.564 5.142 1.00 . A A . 2 TRP HE3 1 1
3 415 1 1 2 TRP HH2 H -1.573 -4.745 5.364 1.00 . A A . 2 TRP HH2 1 1
3 416 1 1 2 TRP HZ2 H -3.934 -4.170 4.854 1.00 . A A . 2 TRP HZ2 1 1
3 417 1 1 2 TRP HZ3 H 0.133 -2.950 5.521 1.00 . A A . 2 TRP HZ3 1 1
3 418 1 1 2 TRP N N -3.081 1.840 2.174 1.00 . A A . 2 TRP N 1 1
3 419 1 1 2 TRP NE1 N -4.712 -1.399 4.424 1.00 . A A . 2 TRP NE1 1 1
3 420 1 1 2 TRP O O 0.167 0.861 2.935 1.00 . A A . 2 TRP O 1 1
3 421 1 1 3 TRP C C -0.049 -1.141 0.602 1.00 . A A . 3 TRP C 1 1
3 422 1 1 3 TRP CA C -0.729 -1.516 1.910 1.00 . A A . 3 TRP CA 1 1
3 423 1 1 3 TRP CB C -1.525 -2.796 1.723 1.00 . A A . 3 TRP CB 1 1
3 424 1 1 3 TRP CD1 C -3.801 -1.901 1.284 1.00 . A A . 3 TRP CD1 1 1
3 425 1 1 3 TRP CD2 C -2.851 -2.804 -0.517 1.00 . A A . 3 TRP CD2 1 1
3 426 1 1 3 TRP CE2 C -4.124 -2.362 -0.926 1.00 . A A . 3 TRP CE2 1 1
3 427 1 1 3 TRP CE3 C -2.019 -3.413 -1.446 1.00 . A A . 3 TRP CE3 1 1
3 428 1 1 3 TRP CG C -2.687 -2.511 0.876 1.00 . A A . 3 TRP CG 1 1
3 429 1 1 3 TRP CH2 C -3.712 -3.135 -3.168 1.00 . A A . 3 TRP CH2 1 1
3 430 1 1 3 TRP CZ2 C -4.561 -2.525 -2.241 1.00 . A A . 3 TRP CZ2 1 1
3 431 1 1 3 TRP CZ3 C -2.440 -3.577 -2.765 1.00 . A A . 3 TRP CZ3 1 1
3 432 1 1 3 TRP H H -2.556 -0.488 2.224 1.00 . A A . 3 TRP H 1 1
3 433 1 1 3 TRP HA H 0.010 -1.679 2.660 1.00 . A A . 3 TRP HA 1 1
3 434 1 1 3 TRP HB2 H -0.908 -3.539 1.244 1.00 . A A . 3 TRP HB2 1 1
3 435 1 1 3 TRP HB3 H -1.859 -3.165 2.671 1.00 . A A . 3 TRP HB3 1 1
3 436 1 1 3 TRP HD1 H -3.980 -1.545 2.281 1.00 . A A . 3 TRP HD1 1 1
3 437 1 1 3 TRP HE1 H -5.558 -1.423 0.249 1.00 . A A . 3 TRP HE1 1 1
3 438 1 1 3 TRP HE3 H -1.037 -3.751 -1.139 1.00 . A A . 3 TRP HE3 1 1
3 439 1 1 3 TRP HH2 H -4.031 -3.266 -4.192 1.00 . A A . 3 TRP HH2 1 1
3 440 1 1 3 TRP HZ2 H -5.541 -2.182 -2.538 1.00 . A A . 3 TRP HZ2 1 1
3 441 1 1 3 TRP HZ3 H -1.778 -4.025 -3.470 1.00 . A A . 3 TRP HZ3 1 1
3 442 1 1 3 TRP N N -1.581 -0.417 2.324 1.00 . A A . 3 TRP N 1 1
3 443 1 1 3 TRP NE1 N -4.673 -1.817 0.218 1.00 . A A . 3 TRP NE1 1 1
3 444 1 1 3 TRP O O 1.081 -1.547 0.332 1.00 . A A . 3 TRP O 1 1
3 445 1 1 4 LEU C C 1.095 0.869 -1.242 1.00 . A A . 4 LEU C 1 1
3 446 1 1 4 LEU CA C -0.204 0.103 -1.483 1.00 . A A . 4 LEU CA 1 1
3 447 1 1 4 LEU CB C -1.219 1.027 -2.190 1.00 . A A . 4 LEU CB 1 1
3 448 1 1 4 LEU CD1 C -1.635 -0.999 -3.658 1.00 . A A . 4 LEU CD1 1 1
3 449 1 1 4 LEU CD2 C -2.969 1.056 -3.960 1.00 . A A . 4 LEU CD2 1 1
3 450 1 1 4 LEU CG C -1.586 0.525 -3.605 1.00 . A A . 4 LEU CG 1 1
3 451 1 1 4 LEU H H -1.646 -0.043 0.070 1.00 . A A . 4 LEU H 1 1
3 452 1 1 4 LEU HA H 0.002 -0.756 -2.099 1.00 . A A . 4 LEU HA 1 1
3 453 1 1 4 LEU HB2 H -2.115 1.078 -1.596 1.00 . A A . 4 LEU HB2 1 1
3 454 1 1 4 LEU HB3 H -0.800 2.020 -2.270 1.00 . A A . 4 LEU HB3 1 1
3 455 1 1 4 LEU HD11 H -2.354 -1.312 -4.402 1.00 . A A . 4 LEU HD11 1 1
3 456 1 1 4 LEU HD12 H -1.931 -1.370 -2.696 1.00 . A A . 4 LEU HD12 1 1
3 457 1 1 4 LEU HD13 H -0.661 -1.388 -3.919 1.00 . A A . 4 LEU HD13 1 1
3 458 1 1 4 LEU HD21 H -2.948 2.132 -3.969 1.00 . A A . 4 LEU HD21 1 1
3 459 1 1 4 LEU HD22 H -3.682 0.712 -3.222 1.00 . A A . 4 LEU HD22 1 1
3 460 1 1 4 LEU HD23 H -3.255 0.688 -4.933 1.00 . A A . 4 LEU HD23 1 1
3 461 1 1 4 LEU HG H -0.866 0.891 -4.320 1.00 . A A . 4 LEU HG 1 1
3 462 1 1 4 LEU N N -0.750 -0.343 -0.205 1.00 . A A . 4 LEU N 1 1
3 463 1 1 4 LEU O O 2.123 0.582 -1.842 1.00 . A A . 4 LEU O 1 1
3 464 1 1 5 ARG C C 3.290 1.744 0.619 1.00 . A A . 5 ARG C 1 1
3 465 1 1 5 ARG CA C 2.241 2.622 -0.057 1.00 . A A . 5 ARG CA 1 1
3 466 1 1 5 ARG CB C 1.913 3.833 0.843 1.00 . A A . 5 ARG CB 1 1
3 467 1 1 5 ARG CD C 0.458 4.417 2.816 1.00 . A A . 5 ARG CD 1 1
3 468 1 1 5 ARG CG C 0.513 3.687 1.467 1.00 . A A . 5 ARG CG 1 1
3 469 1 1 5 ARG CZ C -1.253 5.443 4.200 1.00 . A A . 5 ARG CZ 1 1
3 470 1 1 5 ARG H H 0.206 2.038 0.114 1.00 . A A . 5 ARG H 1 1
3 471 1 1 5 ARG HA H 2.652 2.981 -0.999 1.00 . A A . 5 ARG HA 1 1
3 472 1 1 5 ARG HB2 H 2.649 3.900 1.630 1.00 . A A . 5 ARG HB2 1 1
3 473 1 1 5 ARG HB3 H 1.945 4.737 0.251 1.00 . A A . 5 ARG HB3 1 1
3 474 1 1 5 ARG HD2 H 0.631 3.707 3.615 1.00 . A A . 5 ARG HD2 1 1
3 475 1 1 5 ARG HD3 H 1.220 5.181 2.849 1.00 . A A . 5 ARG HD3 1 1
3 476 1 1 5 ARG HE H -1.440 5.153 2.228 1.00 . A A . 5 ARG HE 1 1
3 477 1 1 5 ARG HG2 H -0.223 4.115 0.802 1.00 . A A . 5 ARG HG2 1 1
3 478 1 1 5 ARG HG3 H 0.292 2.645 1.622 1.00 . A A . 5 ARG HG3 1 1
3 479 1 1 5 ARG HH11 H -3.024 6.110 3.546 1.00 . A A . 5 ARG HH11 1 1
3 480 1 1 5 ARG HH12 H -2.731 6.301 5.243 1.00 . A A . 5 ARG HH12 1 1
3 481 1 1 5 ARG HH21 H 0.425 4.869 5.129 1.00 . A A . 5 ARG HH21 1 1
3 482 1 1 5 ARG HH22 H -0.779 5.599 6.139 1.00 . A A . 5 ARG HH22 1 1
3 483 1 1 5 ARG N N 1.047 1.844 -0.350 1.00 . A A . 5 ARG N 1 1
3 484 1 1 5 ARG NE N -0.849 5.035 3.001 1.00 . A A . 5 ARG NE 1 1
3 485 1 1 5 ARG NH1 N -2.427 5.994 4.340 1.00 . A A . 5 ARG NH1 1 1
3 486 1 1 5 ARG NH2 N -0.475 5.292 5.237 1.00 . A A . 5 ARG NH2 1 1
3 487 1 1 5 ARG O O 4.485 1.893 0.369 1.00 . A A . 5 ARG O 1 1
3 488 1 1 6 LYS C C 4.437 -0.987 1.130 1.00 . A A . 6 LYS C 1 1
3 489 1 1 6 LYS CA C 3.776 -0.067 2.150 1.00 . A A . 6 LYS CA 1 1
3 490 1 1 6 LYS CB C 3.052 -0.861 3.260 1.00 . A A . 6 LYS CB 1 1
3 491 1 1 6 LYS CD C 2.603 -3.167 4.152 1.00 . A A . 6 LYS CD 1 1
3 492 1 1 6 LYS CE C 1.586 -4.266 3.830 1.00 . A A . 6 LYS CE 1 1
3 493 1 1 6 LYS CG C 2.900 -2.346 2.887 1.00 . A A . 6 LYS CG 1 1
3 494 1 1 6 LYS H H 1.881 0.736 1.633 1.00 . A A . 6 LYS H 1 1
3 495 1 1 6 LYS HA H 4.546 0.539 2.603 1.00 . A A . 6 LYS HA 1 1
3 496 1 1 6 LYS HB2 H 3.618 -0.785 4.178 1.00 . A A . 6 LYS HB2 1 1
3 497 1 1 6 LYS HB3 H 2.072 -0.435 3.416 1.00 . A A . 6 LYS HB3 1 1
3 498 1 1 6 LYS HD2 H 3.519 -3.619 4.509 1.00 . A A . 6 LYS HD2 1 1
3 499 1 1 6 LYS HD3 H 2.204 -2.520 4.917 1.00 . A A . 6 LYS HD3 1 1
3 500 1 1 6 LYS HE2 H 0.683 -3.820 3.442 1.00 . A A . 6 LYS HE2 1 1
3 501 1 1 6 LYS HE3 H 2.001 -4.937 3.093 1.00 . A A . 6 LYS HE3 1 1
3 502 1 1 6 LYS HG2 H 2.089 -2.456 2.186 1.00 . A A . 6 LYS HG2 1 1
3 503 1 1 6 LYS HG3 H 3.812 -2.706 2.442 1.00 . A A . 6 LYS HG3 1 1
3 504 1 1 6 LYS HZ1 H 1.927 -5.828 5.165 1.00 . A A . 6 LYS HZ1 1 1
3 505 1 1 6 LYS HZ2 H 0.294 -5.384 5.020 1.00 . A A . 6 LYS HZ2 1 1
3 506 1 1 6 LYS HZ3 H 1.369 -4.403 5.897 1.00 . A A . 6 LYS HZ3 1 1
3 507 1 1 6 LYS N N 2.843 0.822 1.469 1.00 . A A . 6 LYS N 1 1
3 508 1 1 6 LYS NZ N 1.270 -5.028 5.071 1.00 . A A . 6 LYS NZ 1 1
3 509 1 1 6 LYS O O 5.643 -1.226 1.184 1.00 . A A . 6 LYS O 1 1
3 510 1 1 7 ILE C C 4.961 -1.457 -1.841 1.00 . A A . 7 ILE C 1 1
3 511 1 1 7 ILE CA C 4.177 -2.331 -0.867 1.00 . A A . 7 ILE CA 1 1
3 512 1 1 7 ILE CB C 3.021 -3.063 -1.585 1.00 . A A . 7 ILE CB 1 1
3 513 1 1 7 ILE CD1 C 4.738 -4.277 -2.971 1.00 . A A . 7 ILE CD1 1 1
3 514 1 1 7 ILE CG1 C 3.484 -4.430 -2.107 1.00 . A A . 7 ILE CG1 1 1
3 515 1 1 7 ILE CG2 C 2.526 -2.237 -2.762 1.00 . A A . 7 ILE CG2 1 1
3 516 1 1 7 ILE H H 2.697 -1.229 0.168 1.00 . A A . 7 ILE H 1 1
3 517 1 1 7 ILE HA H 4.845 -3.053 -0.425 1.00 . A A . 7 ILE HA 1 1
3 518 1 1 7 ILE HB H 2.202 -3.202 -0.894 1.00 . A A . 7 ILE HB 1 1
3 519 1 1 7 ILE HD11 H 4.626 -3.421 -3.621 1.00 . A A . 7 ILE HD11 1 1
3 520 1 1 7 ILE HD12 H 4.871 -5.165 -3.571 1.00 . A A . 7 ILE HD12 1 1
3 521 1 1 7 ILE HD13 H 5.599 -4.140 -2.337 1.00 . A A . 7 ILE HD13 1 1
3 522 1 1 7 ILE HG12 H 3.699 -5.079 -1.272 1.00 . A A . 7 ILE HG12 1 1
3 523 1 1 7 ILE HG13 H 2.696 -4.864 -2.708 1.00 . A A . 7 ILE HG13 1 1
3 524 1 1 7 ILE HG21 H 1.538 -2.566 -3.045 1.00 . A A . 7 ILE HG21 1 1
3 525 1 1 7 ILE HG22 H 3.200 -2.365 -3.586 1.00 . A A . 7 ILE HG22 1 1
3 526 1 1 7 ILE HG23 H 2.492 -1.202 -2.480 1.00 . A A . 7 ILE HG23 1 1
3 527 1 1 7 ILE N N 3.645 -1.473 0.179 1.00 . A A . 7 ILE N 1 1
3 528 1 1 7 ILE O O 5.883 -1.910 -2.518 1.00 . A A . 7 ILE O 1 1
3 529 1 1 8 TRP C C 6.007 1.804 -1.900 1.00 . A A . 8 TRP C 1 1
3 530 1 1 8 TRP CA C 5.242 0.792 -2.743 1.00 . A A . 8 TRP CA 1 1
3 531 1 1 8 TRP CB C 4.195 1.507 -3.604 1.00 . A A . 8 TRP CB 1 1
3 532 1 1 8 TRP CD1 C 2.051 0.418 -4.340 1.00 . A A . 8 TRP CD1 1 1
3 533 1 1 8 TRP CD2 C 3.862 -0.624 -5.173 1.00 . A A . 8 TRP CD2 1 1
3 534 1 1 8 TRP CE2 C 2.729 -1.341 -5.626 1.00 . A A . 8 TRP CE2 1 1
3 535 1 1 8 TRP CE3 C 5.135 -1.081 -5.569 1.00 . A A . 8 TRP CE3 1 1
3 536 1 1 8 TRP CG C 3.397 0.484 -4.340 1.00 . A A . 8 TRP CG 1 1
3 537 1 1 8 TRP CH2 C 4.120 -2.909 -6.816 1.00 . A A . 8 TRP CH2 1 1
3 538 1 1 8 TRP CZ2 C 2.853 -2.469 -6.435 1.00 . A A . 8 TRP CZ2 1 1
3 539 1 1 8 TRP CZ3 C 5.259 -2.215 -6.387 1.00 . A A . 8 TRP CZ3 1 1
3 540 1 1 8 TRP H H 3.850 0.117 -1.300 1.00 . A A . 8 TRP H 1 1
3 541 1 1 8 TRP HA H 5.936 0.281 -3.385 1.00 . A A . 8 TRP HA 1 1
3 542 1 1 8 TRP HB2 H 3.539 2.081 -2.966 1.00 . A A . 8 TRP HB2 1 1
3 543 1 1 8 TRP HB3 H 4.676 2.162 -4.302 1.00 . A A . 8 TRP HB3 1 1
3 544 1 1 8 TRP HD1 H 1.390 1.092 -3.821 1.00 . A A . 8 TRP HD1 1 1
3 545 1 1 8 TRP HE1 H 0.733 -0.943 -5.219 1.00 . A A . 8 TRP HE1 1 1
3 546 1 1 8 TRP HE3 H 6.020 -0.556 -5.252 1.00 . A A . 8 TRP HE3 1 1
3 547 1 1 8 TRP HH2 H 4.222 -3.783 -7.439 1.00 . A A . 8 TRP HH2 1 1
3 548 1 1 8 TRP HZ2 H 1.975 -3.003 -6.759 1.00 . A A . 8 TRP HZ2 1 1
3 549 1 1 8 TRP HZ3 H 6.239 -2.558 -6.685 1.00 . A A . 8 TRP HZ3 1 1
3 550 1 1 8 TRP N N 4.584 -0.180 -1.879 1.00 . A A . 8 TRP N 1 1
3 551 1 1 8 TRP NE1 N 1.656 -0.671 -5.081 1.00 . A A . 8 TRP NE1 1 1
3 552 1 1 8 TRP O O 6.140 2.966 -2.282 1.00 . A A . 8 TRP O 1 1
3 553 1 1 9 NH2 HN1 H 6.414 0.489 -0.466 1.00 . A A . 9 NH2 HN1 1 1
3 554 1 1 9 NH2 HN2 H 7.023 2.056 -0.213 1.00 . A A . 9 NH2 HN2 1 1
3 555 1 1 9 NH2 N N 6.525 1.419 -0.766 1.00 . A A . 9 NH2 N 1 1
4 556 1 1 1 TRP C C -3.781 2.937 2.109 1.00 . A A . 1 TRP C 1 1
4 557 1 1 1 TRP CA C -4.790 2.891 0.968 1.00 . A A . 1 TRP CA 1 1
4 558 1 1 1 TRP CB C -4.463 1.691 0.074 1.00 . A A . 1 TRP CB 1 1
4 559 1 1 1 TRP CD1 C -6.385 0.784 -1.273 1.00 . A A . 1 TRP CD1 1 1
4 560 1 1 1 TRP CD2 C -5.369 2.522 -2.254 1.00 . A A . 1 TRP CD2 1 1
4 561 1 1 1 TRP CE2 C -6.415 2.133 -3.119 1.00 . A A . 1 TRP CE2 1 1
4 562 1 1 1 TRP CE3 C -4.559 3.597 -2.627 1.00 . A A . 1 TRP CE3 1 1
4 563 1 1 1 TRP CG C -5.377 1.662 -1.095 1.00 . A A . 1 TRP CG 1 1
4 564 1 1 1 TRP CH2 C -5.825 3.869 -4.682 1.00 . A A . 1 TRP CH2 1 1
4 565 1 1 1 TRP CZ2 C -6.647 2.796 -4.324 1.00 . A A . 1 TRP CZ2 1 1
4 566 1 1 1 TRP CZ3 C -4.783 4.265 -3.830 1.00 . A A . 1 TRP CZ3 1 1
4 567 1 1 1 TRP H1 H -4.917 4.960 0.780 1.00 . A A . 1 TRP H1 1 1
4 568 1 1 1 TRP H2 H -5.373 4.108 -0.617 1.00 . A A . 1 TRP H2 1 1
4 569 1 1 1 TRP H3 H -3.732 4.249 -0.202 1.00 . A A . 1 TRP H3 1 1
4 570 1 1 1 TRP HA H -5.787 2.789 1.358 1.00 . A A . 1 TRP HA 1 1
4 571 1 1 1 TRP HB2 H -3.449 1.780 -0.269 1.00 . A A . 1 TRP HB2 1 1
4 572 1 1 1 TRP HB3 H -4.570 0.778 0.633 1.00 . A A . 1 TRP HB3 1 1
4 573 1 1 1 TRP HD1 H -6.657 -0.002 -0.585 1.00 . A A . 1 TRP HD1 1 1
4 574 1 1 1 TRP HE1 H -7.780 0.579 -2.842 1.00 . A A . 1 TRP HE1 1 1
4 575 1 1 1 TRP HE3 H -3.752 3.911 -1.983 1.00 . A A . 1 TRP HE3 1 1
4 576 1 1 1 TRP HH2 H -5.992 4.393 -5.612 1.00 . A A . 1 TRP HH2 1 1
4 577 1 1 1 TRP HZ2 H -7.452 2.485 -4.973 1.00 . A A . 1 TRP HZ2 1 1
4 578 1 1 1 TRP HZ3 H -4.146 5.083 -4.098 1.00 . A A . 1 TRP HZ3 1 1
4 579 1 1 1 TRP N N -4.696 4.147 0.172 1.00 . A A . 1 TRP N 1 1
4 580 1 1 1 TRP NE1 N -7.012 1.065 -2.476 1.00 . A A . 1 TRP NE1 1 1
4 581 1 1 1 TRP O O -3.690 3.918 2.847 1.00 . A A . 1 TRP O 1 1
4 582 1 1 2 TRP C C -1.049 0.609 2.832 1.00 . A A . 2 TRP C 1 1
4 583 1 1 2 TRP CA C -1.981 1.734 3.228 1.00 . A A . 2 TRP CA 1 1
4 584 1 1 2 TRP CB C -2.586 1.455 4.594 1.00 . A A . 2 TRP CB 1 1
4 585 1 1 2 TRP CD1 C -4.596 -0.003 4.255 1.00 . A A . 2 TRP CD1 1 1
4 586 1 1 2 TRP CD2 C -2.743 -1.143 4.755 1.00 . A A . 2 TRP CD2 1 1
4 587 1 1 2 TRP CE2 C -3.762 -2.103 4.606 1.00 . A A . 2 TRP CE2 1 1
4 588 1 1 2 TRP CE3 C -1.456 -1.567 5.067 1.00 . A A . 2 TRP CE3 1 1
4 589 1 1 2 TRP CG C -3.294 0.164 4.538 1.00 . A A . 2 TRP CG 1 1
4 590 1 1 2 TRP CH2 C -2.211 -3.884 5.088 1.00 . A A . 2 TRP CH2 1 1
4 591 1 1 2 TRP CZ2 C -3.508 -3.464 4.770 1.00 . A A . 2 TRP CZ2 1 1
4 592 1 1 2 TRP CZ3 C -1.183 -2.936 5.234 1.00 . A A . 2 TRP CZ3 1 1
4 593 1 1 2 TRP H H -3.140 1.128 1.578 1.00 . A A . 2 TRP H 1 1
4 594 1 1 2 TRP HA H -1.420 2.639 3.274 1.00 . A A . 2 TRP HA 1 1
4 595 1 1 2 TRP HB2 H -1.799 1.404 5.333 1.00 . A A . 2 TRP HB2 1 1
4 596 1 1 2 TRP HB3 H -3.272 2.233 4.856 1.00 . A A . 2 TRP HB3 1 1
4 597 1 1 2 TRP HD1 H -5.292 0.789 4.032 1.00 . A A . 2 TRP HD1 1 1
4 598 1 1 2 TRP HE1 H -5.759 -1.753 4.128 1.00 . A A . 2 TRP HE1 1 1
4 599 1 1 2 TRP HE3 H -0.670 -0.825 5.167 1.00 . A A . 2 TRP HE3 1 1
4 600 1 1 2 TRP HH2 H -2.000 -4.934 5.215 1.00 . A A . 2 TRP HH2 1 1
4 601 1 1 2 TRP HZ2 H -4.303 -4.186 4.656 1.00 . A A . 2 TRP HZ2 1 1
4 602 1 1 2 TRP HZ3 H -0.185 -3.261 5.481 1.00 . A A . 2 TRP HZ3 1 1
4 603 1 1 2 TRP N N -3.014 1.860 2.216 1.00 . A A . 2 TRP N 1 1
4 604 1 1 2 TRP NE1 N -4.884 -1.357 4.297 1.00 . A A . 2 TRP NE1 1 1
4 605 1 1 2 TRP O O 0.168 0.719 2.964 1.00 . A A . 2 TRP O 1 1
4 606 1 1 3 TRP C C -0.158 -1.216 0.537 1.00 . A A . 3 TRP C 1 1
4 607 1 1 3 TRP CA C -0.817 -1.582 1.858 1.00 . A A . 3 TRP CA 1 1
4 608 1 1 3 TRP CB C -1.661 -2.827 1.659 1.00 . A A . 3 TRP CB 1 1
4 609 1 1 3 TRP CD1 C -3.887 -1.838 1.188 1.00 . A A . 3 TRP CD1 1 1
4 610 1 1 3 TRP CD2 C -2.931 -2.728 -0.616 1.00 . A A . 3 TRP CD2 1 1
4 611 1 1 3 TRP CE2 C -4.176 -2.227 -1.041 1.00 . A A . 3 TRP CE2 1 1
4 612 1 1 3 TRP CE3 C -2.102 -3.345 -1.546 1.00 . A A . 3 TRP CE3 1 1
4 613 1 1 3 TRP CG C -2.790 -2.483 0.790 1.00 . A A . 3 TRP CG 1 1
4 614 1 1 3 TRP CH2 C -3.744 -2.951 -3.295 1.00 . A A . 3 TRP CH2 1 1
4 615 1 1 3 TRP CZ2 C -4.590 -2.335 -2.368 1.00 . A A . 3 TRP CZ2 1 1
4 616 1 1 3 TRP CZ3 C -2.500 -3.453 -2.877 1.00 . A A . 3 TRP CZ3 1 1
4 617 1 1 3 TRP H H -2.602 -0.495 2.206 1.00 . A A . 3 TRP H 1 1
4 618 1 1 3 TRP HA H -0.070 -1.786 2.588 1.00 . A A . 3 TRP HA 1 1
4 619 1 1 3 TRP HB2 H -1.070 -3.597 1.190 1.00 . A A . 3 TRP HB2 1 1
4 620 1 1 3 TRP HB3 H -2.032 -3.180 2.599 1.00 . A A . 3 TRP HB3 1 1
4 621 1 1 3 TRP HD1 H -4.076 -1.501 2.190 1.00 . A A . 3 TRP HD1 1 1
4 622 1 1 3 TRP HE1 H -5.595 -1.264 0.127 1.00 . A A . 3 TRP HE1 1 1
4 623 1 1 3 TRP HE3 H -1.142 -3.730 -1.232 1.00 . A A . 3 TRP HE3 1 1
4 624 1 1 3 TRP HH2 H -4.045 -3.039 -4.328 1.00 . A A . 3 TRP HH2 1 1
4 625 1 1 3 TRP HZ2 H -5.548 -1.944 -2.676 1.00 . A A . 3 TRP HZ2 1 1
4 626 1 1 3 TRP HZ3 H -1.841 -3.907 -3.581 1.00 . A A . 3 TRP HZ3 1 1
4 627 1 1 3 TRP N N -1.625 -0.467 2.309 1.00 . A A . 3 TRP N 1 1
4 628 1 1 3 TRP NE1 N -4.727 -1.691 0.105 1.00 . A A . 3 TRP NE1 1 1
4 629 1 1 3 TRP O O 0.873 -1.772 0.168 1.00 . A A . 3 TRP O 1 1
4 630 1 1 4 LEU C C 1.070 0.918 -1.260 1.00 . A A . 4 LEU C 1 1
4 631 1 1 4 LEU CA C -0.239 0.167 -1.462 1.00 . A A . 4 LEU CA 1 1
4 632 1 1 4 LEU CB C -1.256 1.095 -2.160 1.00 . A A . 4 LEU CB 1 1
4 633 1 1 4 LEU CD1 C -1.602 -0.864 -3.730 1.00 . A A . 4 LEU CD1 1 1
4 634 1 1 4 LEU CD2 C -2.912 1.216 -4.010 1.00 . A A . 4 LEU CD2 1 1
4 635 1 1 4 LEU CG C -1.550 0.659 -3.609 1.00 . A A . 4 LEU CG 1 1
4 636 1 1 4 LEU H H -1.595 0.141 0.172 1.00 . A A . 4 LEU H 1 1
4 637 1 1 4 LEU HA H -0.055 -0.698 -2.076 1.00 . A A . 4 LEU HA 1 1
4 638 1 1 4 LEU HB2 H -2.174 1.089 -1.603 1.00 . A A . 4 LEU HB2 1 1
4 639 1 1 4 LEU HB3 H -0.866 2.104 -2.172 1.00 . A A . 4 LEU HB3 1 1
4 640 1 1 4 LEU HD11 H -1.912 -1.276 -2.789 1.00 . A A . 4 LEU HD11 1 1
4 641 1 1 4 LEU HD12 H -0.626 -1.243 -3.993 1.00 . A A . 4 LEU HD12 1 1
4 642 1 1 4 LEU HD13 H -2.311 -1.143 -4.496 1.00 . A A . 4 LEU HD13 1 1
4 643 1 1 4 LEU HD21 H -3.657 0.876 -3.303 1.00 . A A . 4 LEU HD21 1 1
4 644 1 1 4 LEU HD22 H -3.166 0.864 -4.996 1.00 . A A . 4 LEU HD22 1 1
4 645 1 1 4 LEU HD23 H -2.872 2.292 -4.004 1.00 . A A . 4 LEU HD23 1 1
4 646 1 1 4 LEU HG H -0.791 1.050 -4.270 1.00 . A A . 4 LEU HG 1 1
4 647 1 1 4 LEU N N -0.770 -0.270 -0.175 1.00 . A A . 4 LEU N 1 1
4 648 1 1 4 LEU O O 2.075 0.621 -1.895 1.00 . A A . 4 LEU O 1 1
4 649 1 1 5 ARG C C 3.311 1.825 0.596 1.00 . A A . 5 ARG C 1 1
4 650 1 1 5 ARG CA C 2.268 2.668 -0.132 1.00 . A A . 5 ARG CA 1 1
4 651 1 1 5 ARG CB C 1.942 3.925 0.677 1.00 . A A . 5 ARG CB 1 1
4 652 1 1 5 ARG CD C 1.149 4.285 3.026 1.00 . A A . 5 ARG CD 1 1
4 653 1 1 5 ARG CG C 0.824 3.625 1.686 1.00 . A A . 5 ARG CG 1 1
4 654 1 1 5 ARG CZ C 0.888 6.480 4.030 1.00 . A A . 5 ARG CZ 1 1
4 655 1 1 5 ARG H H 0.235 2.109 0.120 1.00 . A A . 5 ARG H 1 1
4 656 1 1 5 ARG HA H 2.678 2.966 -1.087 1.00 . A A . 5 ARG HA 1 1
4 657 1 1 5 ARG HB2 H 2.826 4.245 1.200 1.00 . A A . 5 ARG HB2 1 1
4 658 1 1 5 ARG HB3 H 1.619 4.708 0.008 1.00 . A A . 5 ARG HB3 1 1
4 659 1 1 5 ARG HD2 H 0.488 3.892 3.782 1.00 . A A . 5 ARG HD2 1 1
4 660 1 1 5 ARG HD3 H 2.172 4.063 3.295 1.00 . A A . 5 ARG HD3 1 1
4 661 1 1 5 ARG HE H 0.920 6.154 2.056 1.00 . A A . 5 ARG HE 1 1
4 662 1 1 5 ARG HG2 H -0.113 4.013 1.312 1.00 . A A . 5 ARG HG2 1 1
4 663 1 1 5 ARG HG3 H 0.739 2.560 1.828 1.00 . A A . 5 ARG HG3 1 1
4 664 1 1 5 ARG HH11 H 0.673 8.196 3.021 1.00 . A A . 5 ARG HH11 1 1
4 665 1 1 5 ARG HH12 H 0.663 8.337 4.747 1.00 . A A . 5 ARG HH12 1 1
4 666 1 1 5 ARG HH21 H 1.084 4.938 5.292 1.00 . A A . 5 ARG HH21 1 1
4 667 1 1 5 ARG HH22 H 0.897 6.492 6.033 1.00 . A A . 5 ARG HH22 1 1
4 668 1 1 5 ARG N N 1.060 1.898 -0.373 1.00 . A A . 5 ARG N 1 1
4 669 1 1 5 ARG NE N 0.975 5.729 2.937 1.00 . A A . 5 ARG NE 1 1
4 670 1 1 5 ARG NH1 N 0.730 7.772 3.925 1.00 . A A . 5 ARG NH1 1 1
4 671 1 1 5 ARG NH2 N 0.962 5.927 5.210 1.00 . A A . 5 ARG NH2 1 1
4 672 1 1 5 ARG O O 4.511 2.031 0.419 1.00 . A A . 5 ARG O 1 1
4 673 1 1 6 LYS C C 4.460 -0.944 1.126 1.00 . A A . 6 LYS C 1 1
4 674 1 1 6 LYS CA C 3.798 0.006 2.114 1.00 . A A . 6 LYS CA 1 1
4 675 1 1 6 LYS CB C 3.085 -0.764 3.244 1.00 . A A . 6 LYS CB 1 1
4 676 1 1 6 LYS CD C 2.315 -2.992 4.065 1.00 . A A . 6 LYS CD 1 1
4 677 1 1 6 LYS CE C 1.544 -4.232 3.608 1.00 . A A . 6 LYS CE 1 1
4 678 1 1 6 LYS CG C 2.828 -2.224 2.847 1.00 . A A . 6 LYS CG 1 1
4 679 1 1 6 LYS H H 1.895 0.726 1.504 1.00 . A A . 6 LYS H 1 1
4 680 1 1 6 LYS HA H 4.565 0.630 2.549 1.00 . A A . 6 LYS HA 1 1
4 681 1 1 6 LYS HB2 H 3.701 -0.745 4.132 1.00 . A A . 6 LYS HB2 1 1
4 682 1 1 6 LYS HB3 H 2.143 -0.286 3.459 1.00 . A A . 6 LYS HB3 1 1
4 683 1 1 6 LYS HD2 H 3.152 -3.295 4.677 1.00 . A A . 6 LYS HD2 1 1
4 684 1 1 6 LYS HD3 H 1.661 -2.355 4.641 1.00 . A A . 6 LYS HD3 1 1
4 685 1 1 6 LYS HE2 H 1.257 -4.815 4.469 1.00 . A A . 6 LYS HE2 1 1
4 686 1 1 6 LYS HE3 H 0.660 -3.927 3.068 1.00 . A A . 6 LYS HE3 1 1
4 687 1 1 6 LYS HG2 H 2.092 -2.259 2.060 1.00 . A A . 6 LYS HG2 1 1
4 688 1 1 6 LYS HG3 H 3.744 -2.678 2.509 1.00 . A A . 6 LYS HG3 1 1
4 689 1 1 6 LYS HZ1 H 2.992 -4.428 2.125 1.00 . A A . 6 LYS HZ1 1 1
4 690 1 1 6 LYS HZ2 H 1.814 -5.652 2.109 1.00 . A A . 6 LYS HZ2 1 1
4 691 1 1 6 LYS HZ3 H 3.031 -5.655 3.295 1.00 . A A . 6 LYS HZ3 1 1
4 692 1 1 6 LYS N N 2.860 0.864 1.400 1.00 . A A . 6 LYS N 1 1
4 693 1 1 6 LYS NZ N 2.411 -5.054 2.717 1.00 . A A . 6 LYS NZ 1 1
4 694 1 1 6 LYS O O 5.675 -1.142 1.158 1.00 . A A . 6 LYS O 1 1
4 695 1 1 7 ILE C C 5.018 -1.554 -1.756 1.00 . A A . 7 ILE C 1 1
4 696 1 1 7 ILE CA C 4.194 -2.397 -0.790 1.00 . A A . 7 ILE CA 1 1
4 697 1 1 7 ILE CB C 3.041 -3.119 -1.527 1.00 . A A . 7 ILE CB 1 1
4 698 1 1 7 ILE CD1 C 4.778 -4.401 -2.821 1.00 . A A . 7 ILE CD1 1 1
4 699 1 1 7 ILE CG1 C 3.489 -4.508 -2.003 1.00 . A A . 7 ILE CG1 1 1
4 700 1 1 7 ILE CG2 C 2.602 -2.307 -2.737 1.00 . A A . 7 ILE CG2 1 1
4 701 1 1 7 ILE H H 2.705 -1.290 0.224 1.00 . A A . 7 ILE H 1 1
4 702 1 1 7 ILE HA H 4.834 -3.123 -0.314 1.00 . A A . 7 ILE HA 1 1
4 703 1 1 7 ILE HB H 2.197 -3.225 -0.860 1.00 . A A . 7 ILE HB 1 1
4 704 1 1 7 ILE HD11 H 4.920 -5.311 -3.386 1.00 . A A . 7 ILE HD11 1 1
4 705 1 1 7 ILE HD12 H 5.617 -4.257 -2.159 1.00 . A A . 7 ILE HD12 1 1
4 706 1 1 7 ILE HD13 H 4.705 -3.566 -3.502 1.00 . A A . 7 ILE HD13 1 1
4 707 1 1 7 ILE HG12 H 3.657 -5.143 -1.148 1.00 . A A . 7 ILE HG12 1 1
4 708 1 1 7 ILE HG13 H 2.715 -4.934 -2.625 1.00 . A A . 7 ILE HG13 1 1
4 709 1 1 7 ILE HG21 H 3.293 -2.477 -3.541 1.00 . A A . 7 ILE HG21 1 1
4 710 1 1 7 ILE HG22 H 2.593 -1.264 -2.482 1.00 . A A . 7 ILE HG22 1 1
4 711 1 1 7 ILE HG23 H 1.612 -2.615 -3.039 1.00 . A A . 7 ILE HG23 1 1
4 712 1 1 7 ILE N N 3.659 -1.504 0.223 1.00 . A A . 7 ILE N 1 1
4 713 1 1 7 ILE O O 5.944 -2.036 -2.408 1.00 . A A . 7 ILE O 1 1
4 714 1 1 8 TRP C C 6.105 1.699 -1.823 1.00 . A A . 8 TRP C 1 1
4 715 1 1 8 TRP CA C 5.359 0.680 -2.673 1.00 . A A . 8 TRP CA 1 1
4 716 1 1 8 TRP CB C 4.345 1.387 -3.578 1.00 . A A . 8 TRP CB 1 1
4 717 1 1 8 TRP CD1 C 2.221 0.311 -4.392 1.00 . A A . 8 TRP CD1 1 1
4 718 1 1 8 TRP CD2 C 4.056 -0.771 -5.119 1.00 . A A . 8 TRP CD2 1 1
4 719 1 1 8 TRP CE2 C 2.935 -1.483 -5.609 1.00 . A A . 8 TRP CE2 1 1
4 720 1 1 8 TRP CE3 C 5.339 -1.253 -5.447 1.00 . A A . 8 TRP CE3 1 1
4 721 1 1 8 TRP CG C 3.569 0.358 -4.330 1.00 . A A . 8 TRP CG 1 1
4 722 1 1 8 TRP CH2 C 4.356 -3.093 -6.703 1.00 . A A . 8 TRP CH2 1 1
4 723 1 1 8 TRP CZ2 C 3.080 -2.629 -6.390 1.00 . A A . 8 TRP CZ2 1 1
4 724 1 1 8 TRP CZ3 C 5.485 -2.405 -6.236 1.00 . A A . 8 TRP CZ3 1 1
4 725 1 1 8 TRP H H 3.929 0.045 -1.254 1.00 . A A . 8 TRP H 1 1
4 726 1 1 8 TRP HA H 6.067 0.151 -3.282 1.00 . A A . 8 TRP HA 1 1
4 727 1 1 8 TRP HB2 H 3.670 1.971 -2.970 1.00 . A A . 8 TRP HB2 1 1
4 728 1 1 8 TRP HB3 H 4.852 2.033 -4.266 1.00 . A A . 8 TRP HB3 1 1
4 729 1 1 8 TRP HD1 H 1.546 1.003 -3.918 1.00 . A A . 8 TRP HD1 1 1
4 730 1 1 8 TRP HE1 H 0.928 -1.051 -5.302 1.00 . A A . 8 TRP HE1 1 1
4 731 1 1 8 TRP HE3 H 6.216 -0.734 -5.100 1.00 . A A . 8 TRP HE3 1 1
4 732 1 1 8 TRP HH2 H 4.474 -3.980 -7.303 1.00 . A A . 8 TRP HH2 1 1
4 733 1 1 8 TRP HZ2 H 2.209 -3.158 -6.743 1.00 . A A . 8 TRP HZ2 1 1
4 734 1 1 8 TRP HZ3 H 6.473 -2.768 -6.481 1.00 . A A . 8 TRP HZ3 1 1
4 735 1 1 8 TRP N N 4.668 -0.271 -1.814 1.00 . A A . 8 TRP N 1 1
4 736 1 1 8 TRP NE1 N 1.847 -0.788 -5.128 1.00 . A A . 8 TRP NE1 1 1
4 737 1 1 8 TRP O O 6.295 2.842 -2.237 1.00 . A A . 8 TRP O 1 1
4 738 1 1 9 NH2 HN1 H 6.388 0.426 -0.323 1.00 . A A . 9 NH2 HN1 1 1
4 739 1 1 9 NH2 HN2 H 7.028 1.985 -0.088 1.00 . A A . 9 NH2 HN2 1 1
4 740 1 1 9 NH2 N N 6.544 1.341 -0.647 1.00 . A A . 9 NH2 N 1 1
5 741 1 1 1 TRP C C -3.618 3.029 1.976 1.00 . A A . 1 TRP C 1 1
5 742 1 1 1 TRP CA C -4.661 2.975 0.866 1.00 . A A . 1 TRP CA 1 1
5 743 1 1 1 TRP CB C -4.390 1.739 0.003 1.00 . A A . 1 TRP CB 1 1
5 744 1 1 1 TRP CD1 C -6.357 0.860 -1.296 1.00 . A A . 1 TRP CD1 1 1
5 745 1 1 1 TRP CD2 C -5.304 2.544 -2.331 1.00 . A A . 1 TRP CD2 1 1
5 746 1 1 1 TRP CE2 C -6.374 2.166 -3.172 1.00 . A A . 1 TRP CE2 1 1
5 747 1 1 1 TRP CE3 C -4.468 3.586 -2.741 1.00 . A A . 1 TRP CE3 1 1
5 748 1 1 1 TRP CG C -5.321 1.710 -1.153 1.00 . A A . 1 TRP CG 1 1
5 749 1 1 1 TRP CH2 C -5.756 3.848 -4.784 1.00 . A A . 1 TRP CH2 1 1
5 750 1 1 1 TRP CZ2 C -6.604 2.809 -4.389 1.00 . A A . 1 TRP CZ2 1 1
5 751 1 1 1 TRP CZ3 C -4.689 4.232 -3.955 1.00 . A A . 1 TRP CZ3 1 1
5 752 1 1 1 TRP H1 H -4.891 5.022 0.572 1.00 . A A . 1 TRP H1 1 1
5 753 1 1 1 TRP H2 H -5.140 4.089 -0.826 1.00 . A A . 1 TRP H2 1 1
5 754 1 1 1 TRP H3 H -3.565 4.352 -0.246 1.00 . A A . 1 TRP H3 1 1
5 755 1 1 1 TRP HA H -5.648 2.912 1.286 1.00 . A A . 1 TRP HA 1 1
5 756 1 1 1 TRP HB2 H -3.379 1.780 -0.355 1.00 . A A . 1 TRP HB2 1 1
5 757 1 1 1 TRP HB3 H -4.523 0.846 0.588 1.00 . A A . 1 TRP HB3 1 1
5 758 1 1 1 TRP HD1 H -6.642 0.097 -0.587 1.00 . A A . 1 TRP HD1 1 1
5 759 1 1 1 TRP HE1 H -7.780 0.661 -2.841 1.00 . A A . 1 TRP HE1 1 1
5 760 1 1 1 TRP HE3 H -3.643 3.891 -2.115 1.00 . A A . 1 TRP HE3 1 1
5 761 1 1 1 TRP HH2 H -5.920 4.355 -5.723 1.00 . A A . 1 TRP HH2 1 1
5 762 1 1 1 TRP HZ2 H -7.427 2.507 -5.019 1.00 . A A . 1 TRP HZ2 1 1
5 763 1 1 1 TRP HZ3 H -4.033 5.025 -4.251 1.00 . A A . 1 TRP HZ3 1 1
5 764 1 1 1 TRP N N -4.556 4.202 0.028 1.00 . A A . 1 TRP N 1 1
5 765 1 1 1 TRP NE1 N -6.993 1.131 -2.496 1.00 . A A . 1 TRP NE1 1 1
5 766 1 1 1 TRP O O -3.373 4.077 2.575 1.00 . A A . 1 TRP O 1 1
5 767 1 1 2 TRP C C -1.026 0.626 2.819 1.00 . A A . 2 TRP C 1 1
5 768 1 1 2 TRP CA C -1.951 1.757 3.219 1.00 . A A . 2 TRP CA 1 1
5 769 1 1 2 TRP CB C -2.547 1.485 4.589 1.00 . A A . 2 TRP CB 1 1
5 770 1 1 2 TRP CD1 C -4.570 0.038 4.266 1.00 . A A . 2 TRP CD1 1 1
5 771 1 1 2 TRP CD2 C -2.721 -1.112 4.755 1.00 . A A . 2 TRP CD2 1 1
5 772 1 1 2 TRP CE2 C -3.747 -2.067 4.616 1.00 . A A . 2 TRP CE2 1 1
5 773 1 1 2 TRP CE3 C -1.436 -1.545 5.060 1.00 . A A . 2 TRP CE3 1 1
5 774 1 1 2 TRP CG C -3.266 0.197 4.540 1.00 . A A . 2 TRP CG 1 1
5 775 1 1 2 TRP CH2 C -2.206 -3.856 5.090 1.00 . A A . 2 TRP CH2 1 1
5 776 1 1 2 TRP CZ2 C -3.501 -3.429 4.780 1.00 . A A . 2 TRP CZ2 1 1
5 777 1 1 2 TRP CZ3 C -1.171 -2.915 5.228 1.00 . A A . 2 TRP CZ3 1 1
5 778 1 1 2 TRP H H -3.233 1.096 1.683 1.00 . A A . 2 TRP H 1 1
5 779 1 1 2 TRP HA H -1.388 2.660 3.258 1.00 . A A . 2 TRP HA 1 1
5 780 1 1 2 TRP HB2 H -1.755 1.429 5.321 1.00 . A A . 2 TRP HB2 1 1
5 781 1 1 2 TRP HB3 H -3.225 2.267 4.855 1.00 . A A . 2 TRP HB3 1 1
5 782 1 1 2 TRP HD1 H -5.263 0.835 4.047 1.00 . A A . 2 TRP HD1 1 1
5 783 1 1 2 TRP HE1 H -5.745 -1.704 4.150 1.00 . A A . 2 TRP HE1 1 1
5 784 1 1 2 TRP HE3 H -0.644 -0.806 5.154 1.00 . A A . 2 TRP HE3 1 1
5 785 1 1 2 TRP HH2 H -2.000 -4.907 5.218 1.00 . A A . 2 TRP HH2 1 1
5 786 1 1 2 TRP HZ2 H -4.302 -4.145 4.672 1.00 . A A . 2 TRP HZ2 1 1
5 787 1 1 2 TRP HZ3 H -0.172 -3.246 5.469 1.00 . A A . 2 TRP HZ3 1 1
5 788 1 1 2 TRP N N -2.995 1.883 2.214 1.00 . A A . 2 TRP N 1 1
5 789 1 1 2 TRP NE1 N -4.867 -1.313 4.312 1.00 . A A . 2 TRP NE1 1 1
5 790 1 1 2 TRP O O 0.192 0.736 2.938 1.00 . A A . 2 TRP O 1 1
5 791 1 1 3 TRP C C -0.154 -1.225 0.537 1.00 . A A . 3 TRP C 1 1
5 792 1 1 3 TRP CA C -0.812 -1.577 1.864 1.00 . A A . 3 TRP CA 1 1
5 793 1 1 3 TRP CB C -1.664 -2.818 1.676 1.00 . A A . 3 TRP CB 1 1
5 794 1 1 3 TRP CD1 C -3.879 -1.815 1.184 1.00 . A A . 3 TRP CD1 1 1
5 795 1 1 3 TRP CD2 C -2.920 -2.733 -0.605 1.00 . A A . 3 TRP CD2 1 1
5 796 1 1 3 TRP CE2 C -4.157 -2.224 -1.044 1.00 . A A . 3 TRP CE2 1 1
5 797 1 1 3 TRP CE3 C -2.090 -3.366 -1.524 1.00 . A A . 3 TRP CE3 1 1
5 798 1 1 3 TRP CG C -2.785 -2.472 0.798 1.00 . A A . 3 TRP CG 1 1
5 799 1 1 3 TRP CH2 C -3.717 -2.976 -3.287 1.00 . A A . 3 TRP CH2 1 1
5 800 1 1 3 TRP CZ2 C -4.563 -2.343 -2.372 1.00 . A A . 3 TRP CZ2 1 1
5 801 1 1 3 TRP CZ3 C -2.481 -3.485 -2.856 1.00 . A A . 3 TRP CZ3 1 1
5 802 1 1 3 TRP H H -2.589 -0.480 2.222 1.00 . A A . 3 TRP H 1 1
5 803 1 1 3 TRP HA H -0.064 -1.781 2.591 1.00 . A A . 3 TRP HA 1 1
5 804 1 1 3 TRP HB2 H -1.076 -3.597 1.217 1.00 . A A . 3 TRP HB2 1 1
5 805 1 1 3 TRP HB3 H -2.041 -3.157 2.617 1.00 . A A . 3 TRP HB3 1 1
5 806 1 1 3 TRP HD1 H -4.070 -1.466 2.182 1.00 . A A . 3 TRP HD1 1 1
5 807 1 1 3 TRP HE1 H -5.576 -1.236 0.107 1.00 . A A . 3 TRP HE1 1 1
5 808 1 1 3 TRP HE3 H -1.136 -3.758 -1.200 1.00 . A A . 3 TRP HE3 1 1
5 809 1 1 3 TRP HH2 H -4.013 -3.073 -4.322 1.00 . A A . 3 TRP HH2 1 1
5 810 1 1 3 TRP HZ2 H -5.516 -1.947 -2.690 1.00 . A A . 3 TRP HZ2 1 1
5 811 1 1 3 TRP HZ3 H -1.822 -3.953 -3.551 1.00 . A A . 3 TRP HZ3 1 1
5 812 1 1 3 TRP N N -1.611 -0.453 2.313 1.00 . A A . 3 TRP N 1 1
5 813 1 1 3 TRP NE1 N -4.711 -1.672 0.094 1.00 . A A . 3 TRP NE1 1 1
5 814 1 1 3 TRP O O 0.875 -1.789 0.171 1.00 . A A . 3 TRP O 1 1
5 815 1 1 4 LEU C C 1.078 0.901 -1.257 1.00 . A A . 4 LEU C 1 1
5 816 1 1 4 LEU CA C -0.223 0.142 -1.471 1.00 . A A . 4 LEU CA 1 1
5 817 1 1 4 LEU CB C -1.237 1.057 -2.190 1.00 . A A . 4 LEU CB 1 1
5 818 1 1 4 LEU CD1 C -1.537 -0.914 -3.759 1.00 . A A . 4 LEU CD1 1 1
5 819 1 1 4 LEU CD2 C -2.864 1.152 -4.069 1.00 . A A . 4 LEU CD2 1 1
5 820 1 1 4 LEU CG C -1.504 0.609 -3.642 1.00 . A A . 4 LEU CG 1 1
5 821 1 1 4 LEU H H -1.580 0.141 0.162 1.00 . A A . 4 LEU H 1 1
5 822 1 1 4 LEU HA H -0.028 -0.730 -2.072 1.00 . A A . 4 LEU HA 1 1
5 823 1 1 4 LEU HB2 H -2.164 1.042 -1.648 1.00 . A A . 4 LEU HB2 1 1
5 824 1 1 4 LEU HB3 H -0.858 2.069 -2.200 1.00 . A A . 4 LEU HB3 1 1
5 825 1 1 4 LEU HD11 H -0.554 -1.283 -4.009 1.00 . A A . 4 LEU HD11 1 1
5 826 1 1 4 LEU HD12 H -2.236 -1.205 -4.531 1.00 . A A . 4 LEU HD12 1 1
5 827 1 1 4 LEU HD13 H -1.851 -1.327 -2.820 1.00 . A A . 4 LEU HD13 1 1
5 828 1 1 4 LEU HD21 H -2.822 2.226 -4.113 1.00 . A A . 4 LEU HD21 1 1
5 829 1 1 4 LEU HD22 H -3.611 0.848 -3.346 1.00 . A A . 4 LEU HD22 1 1
5 830 1 1 4 LEU HD23 H -3.120 0.755 -5.037 1.00 . A A . 4 LEU HD23 1 1
5 831 1 1 4 LEU HG H -0.739 1.007 -4.292 1.00 . A A . 4 LEU HG 1 1
5 832 1 1 4 LEU N N -0.760 -0.281 -0.182 1.00 . A A . 4 LEU N 1 1
5 833 1 1 4 LEU O O 2.095 0.609 -1.875 1.00 . A A . 4 LEU O 1 1
5 834 1 1 5 ARG C C 3.282 1.820 0.618 1.00 . A A . 5 ARG C 1 1
5 835 1 1 5 ARG CA C 2.237 2.662 -0.108 1.00 . A A . 5 ARG CA 1 1
5 836 1 1 5 ARG CB C 1.887 3.905 0.718 1.00 . A A . 5 ARG CB 1 1
5 837 1 1 5 ARG CD C 1.869 3.360 3.172 1.00 . A A . 5 ARG CD 1 1
5 838 1 1 5 ARG CG C 1.002 3.529 1.919 1.00 . A A . 5 ARG CG 1 1
5 839 1 1 5 ARG CZ C 2.673 4.779 4.972 1.00 . A A . 5 ARG CZ 1 1
5 840 1 1 5 ARG H H 0.208 2.083 0.103 1.00 . A A . 5 ARG H 1 1
5 841 1 1 5 ARG HA H 2.655 2.979 -1.061 1.00 . A A . 5 ARG HA 1 1
5 842 1 1 5 ARG HB2 H 2.795 4.357 1.072 1.00 . A A . 5 ARG HB2 1 1
5 843 1 1 5 ARG HB3 H 1.359 4.611 0.093 1.00 . A A . 5 ARG HB3 1 1
5 844 1 1 5 ARG HD2 H 1.327 2.781 3.905 1.00 . A A . 5 ARG HD2 1 1
5 845 1 1 5 ARG HD3 H 2.780 2.843 2.912 1.00 . A A . 5 ARG HD3 1 1
5 846 1 1 5 ARG HE H 2.059 5.470 3.197 1.00 . A A . 5 ARG HE 1 1
5 847 1 1 5 ARG HG2 H 0.279 4.315 2.091 1.00 . A A . 5 ARG HG2 1 1
5 848 1 1 5 ARG HG3 H 0.483 2.607 1.718 1.00 . A A . 5 ARG HG3 1 1
5 849 1 1 5 ARG HH11 H 2.807 6.776 4.898 1.00 . A A . 5 ARG HH11 1 1
5 850 1 1 5 ARG HH12 H 3.311 6.046 6.385 1.00 . A A . 5 ARG HH12 1 1
5 851 1 1 5 ARG HH21 H 2.651 2.810 5.329 1.00 . A A . 5 ARG HH21 1 1
5 852 1 1 5 ARG HH22 H 3.224 3.801 6.629 1.00 . A A . 5 ARG HH22 1 1
5 853 1 1 5 ARG N N 1.044 1.881 -0.373 1.00 . A A . 5 ARG N 1 1
5 854 1 1 5 ARG NE N 2.196 4.664 3.737 1.00 . A A . 5 ARG NE 1 1
5 855 1 1 5 ARG NH1 N 2.952 5.959 5.456 1.00 . A A . 5 ARG NH1 1 1
5 856 1 1 5 ARG NH2 N 2.863 3.714 5.700 1.00 . A A . 5 ARG NH2 1 1
5 857 1 1 5 ARG O O 4.482 2.042 0.453 1.00 . A A . 5 ARG O 1 1
5 858 1 1 6 LYS C C 4.447 -0.950 1.125 1.00 . A A . 6 LYS C 1 1
5 859 1 1 6 LYS CA C 3.773 -0.013 2.120 1.00 . A A . 6 LYS CA 1 1
5 860 1 1 6 LYS CB C 3.062 -0.797 3.241 1.00 . A A . 6 LYS CB 1 1
5 861 1 1 6 LYS CD C 2.331 -3.044 4.058 1.00 . A A . 6 LYS CD 1 1
5 862 1 1 6 LYS CE C 1.500 -4.244 3.598 1.00 . A A . 6 LYS CE 1 1
5 863 1 1 6 LYS CG C 2.829 -2.261 2.840 1.00 . A A . 6 LYS CG 1 1
5 864 1 1 6 LYS H H 1.869 0.697 1.501 1.00 . A A . 6 LYS H 1 1
5 865 1 1 6 LYS HA H 4.534 0.613 2.562 1.00 . A A . 6 LYS HA 1 1
5 866 1 1 6 LYS HB2 H 3.669 -0.772 4.134 1.00 . A A . 6 LYS HB2 1 1
5 867 1 1 6 LYS HB3 H 2.111 -0.334 3.450 1.00 . A A . 6 LYS HB3 1 1
5 868 1 1 6 LYS HD2 H 3.179 -3.393 4.631 1.00 . A A . 6 LYS HD2 1 1
5 869 1 1 6 LYS HD3 H 1.722 -2.401 4.674 1.00 . A A . 6 LYS HD3 1 1
5 870 1 1 6 LYS HE2 H 1.407 -4.948 4.411 1.00 . A A . 6 LYS HE2 1 1
5 871 1 1 6 LYS HE3 H 0.519 -3.908 3.298 1.00 . A A . 6 LYS HE3 1 1
5 872 1 1 6 LYS HG2 H 2.092 -2.305 2.055 1.00 . A A . 6 LYS HG2 1 1
5 873 1 1 6 LYS HG3 H 3.752 -2.697 2.497 1.00 . A A . 6 LYS HG3 1 1
5 874 1 1 6 LYS HZ1 H 3.196 -4.710 2.482 1.00 . A A . 6 LYS HZ1 1 1
5 875 1 1 6 LYS HZ2 H 1.783 -4.532 1.555 1.00 . A A . 6 LYS HZ2 1 1
5 876 1 1 6 LYS HZ3 H 2.018 -5.930 2.492 1.00 . A A . 6 LYS HZ3 1 1
5 877 1 1 6 LYS N N 2.833 0.846 1.408 1.00 . A A . 6 LYS N 1 1
5 878 1 1 6 LYS NZ N 2.175 -4.903 2.445 1.00 . A A . 6 LYS NZ 1 1
5 879 1 1 6 LYS O O 5.663 -1.143 1.165 1.00 . A A . 6 LYS O 1 1
5 880 1 1 7 ILE C C 5.028 -1.522 -1.758 1.00 . A A . 7 ILE C 1 1
5 881 1 1 7 ILE CA C 4.202 -2.381 -0.808 1.00 . A A . 7 ILE CA 1 1
5 882 1 1 7 ILE CB C 3.059 -3.101 -1.563 1.00 . A A . 7 ILE CB 1 1
5 883 1 1 7 ILE CD1 C 4.813 -4.353 -2.864 1.00 . A A . 7 ILE CD1 1 1
5 884 1 1 7 ILE CG1 C 3.519 -4.481 -2.054 1.00 . A A . 7 ILE CG1 1 1
5 885 1 1 7 ILE CG2 C 2.623 -2.278 -2.763 1.00 . A A . 7 ILE CG2 1 1
5 886 1 1 7 ILE H H 2.700 -1.293 0.207 1.00 . A A . 7 ILE H 1 1
5 887 1 1 7 ILE HA H 4.844 -3.109 -0.337 1.00 . A A . 7 ILE HA 1 1
5 888 1 1 7 ILE HB H 2.211 -3.221 -0.903 1.00 . A A . 7 ILE HB 1 1
5 889 1 1 7 ILE HD11 H 4.962 -5.254 -3.441 1.00 . A A . 7 ILE HD11 1 1
5 890 1 1 7 ILE HD12 H 5.646 -4.214 -2.196 1.00 . A A . 7 ILE HD12 1 1
5 891 1 1 7 ILE HD13 H 4.738 -3.509 -3.533 1.00 . A A . 7 ILE HD13 1 1
5 892 1 1 7 ILE HG12 H 3.686 -5.126 -1.207 1.00 . A A . 7 ILE HG12 1 1
5 893 1 1 7 ILE HG13 H 2.751 -4.905 -2.686 1.00 . A A . 7 ILE HG13 1 1
5 894 1 1 7 ILE HG21 H 2.594 -1.239 -2.493 1.00 . A A . 7 ILE HG21 1 1
5 895 1 1 7 ILE HG22 H 1.641 -2.595 -3.084 1.00 . A A . 7 ILE HG22 1 1
5 896 1 1 7 ILE HG23 H 3.327 -2.423 -3.562 1.00 . A A . 7 ILE HG23 1 1
5 897 1 1 7 ILE N N 3.656 -1.503 0.212 1.00 . A A . 7 ILE N 1 1
5 898 1 1 7 ILE O O 5.964 -1.988 -2.405 1.00 . A A . 7 ILE O 1 1
5 899 1 1 8 TRP C C 6.085 1.740 -1.780 1.00 . A A . 8 TRP C 1 1
5 900 1 1 8 TRP CA C 5.356 0.726 -2.649 1.00 . A A . 8 TRP CA 1 1
5 901 1 1 8 TRP CB C 4.344 1.437 -3.555 1.00 . A A . 8 TRP CB 1 1
5 902 1 1 8 TRP CD1 C 2.233 0.355 -4.387 1.00 . A A . 8 TRP CD1 1 1
5 903 1 1 8 TRP CD2 C 4.076 -0.704 -5.124 1.00 . A A . 8 TRP CD2 1 1
5 904 1 1 8 TRP CE2 C 2.962 -1.417 -5.627 1.00 . A A . 8 TRP CE2 1 1
5 905 1 1 8 TRP CE3 C 5.363 -1.172 -5.455 1.00 . A A . 8 TRP CE3 1 1
5 906 1 1 8 TRP CG C 3.579 0.412 -4.322 1.00 . A A . 8 TRP CG 1 1
5 907 1 1 8 TRP CH2 C 4.398 -3.003 -6.736 1.00 . A A . 8 TRP CH2 1 1
5 908 1 1 8 TRP CZ2 C 3.117 -2.553 -6.421 1.00 . A A . 8 TRP CZ2 1 1
5 909 1 1 8 TRP CZ3 C 5.520 -2.314 -6.258 1.00 . A A . 8 TRP CZ3 1 1
5 910 1 1 8 TRP H H 3.917 0.063 -1.252 1.00 . A A . 8 TRP H 1 1
5 911 1 1 8 TRP HA H 6.074 0.210 -3.258 1.00 . A A . 8 TRP HA 1 1
5 912 1 1 8 TRP HB2 H 3.663 2.012 -2.946 1.00 . A A . 8 TRP HB2 1 1
5 913 1 1 8 TRP HB3 H 4.854 2.092 -4.234 1.00 . A A . 8 TRP HB3 1 1
5 914 1 1 8 TRP HD1 H 1.552 1.037 -3.908 1.00 . A A . 8 TRP HD1 1 1
5 915 1 1 8 TRP HE1 H 0.950 -1.004 -5.319 1.00 . A A . 8 TRP HE1 1 1
5 916 1 1 8 TRP HE3 H 6.236 -0.651 -5.098 1.00 . A A . 8 TRP HE3 1 1
5 917 1 1 8 TRP HH2 H 4.524 -3.883 -7.347 1.00 . A A . 8 TRP HH2 1 1
5 918 1 1 8 TRP HZ2 H 2.251 -3.083 -6.783 1.00 . A A . 8 TRP HZ2 1 1
5 919 1 1 8 TRP HZ3 H 6.511 -2.666 -6.504 1.00 . A A . 8 TRP HZ3 1 1
5 920 1 1 8 TRP N N 4.665 -0.241 -1.808 1.00 . A A . 8 TRP N 1 1
5 921 1 1 8 TRP NE1 N 1.868 -0.735 -5.140 1.00 . A A . 8 TRP NE1 1 1
5 922 1 1 8 TRP O O 6.263 2.892 -2.175 1.00 . A A . 8 TRP O 1 1
5 923 1 1 9 NH2 HN1 H 6.376 0.449 -0.298 1.00 . A A . 9 NH2 HN1 1 1
5 924 1 1 9 NH2 HN2 H 6.995 2.011 -0.036 1.00 . A A . 9 NH2 HN2 1 1
5 925 1 1 9 NH2 N N 6.522 1.371 -0.607 1.00 . A A . 9 NH2 N 1 1
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